NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622463 |
5xv8   |
36101 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xv8
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 2695
_Distance_constraint_stats_list.Viol_count 1580
_Distance_constraint_stats_list.Viol_total 2808.566
_Distance_constraint_stats_list.Viol_max 0.589
_Distance_constraint_stats_list.Viol_rms 0.0210
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0889
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ALA 0.331 0.226 5 0 "[ . 1 . 2]"
1 10 LEU 0.627 0.226 5 0 "[ . 1 . 2]"
1 11 GLY 0.295 0.139 5 0 "[ . 1 . 2]"
1 12 ASP 0.804 0.470 16 0 "[ . 1 . 2]"
1 13 ALA 2.463 0.470 16 0 "[ . 1 . 2]"
1 14 GLU 1.659 0.362 4 0 "[ . 1 . 2]"
1 15 GLU 1.163 0.340 16 0 "[ . 1 . 2]"
1 16 ASP 1.827 0.340 16 0 "[ . 1 . 2]"
1 17 GLU 0.669 0.328 3 0 "[ . 1 . 2]"
1 18 ASP 0.818 0.122 12 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 4.239 0.169 1 0 "[ . 1 . 2]"
1 21 ASP 0.457 0.259 17 0 "[ . 1 . 2]"
1 22 PHE 3.884 0.259 17 0 "[ . 1 . 2]"
1 23 VAL 2.366 0.161 3 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 1.648 0.168 11 0 "[ . 1 . 2]"
1 29 GLU 1.152 0.072 11 0 "[ . 1 . 2]"
1 30 GLY 1.152 0.072 11 0 "[ . 1 . 2]"
1 31 TYR 1.648 0.168 11 0 "[ . 1 . 2]"
1 32 GLU 0.260 0.094 18 0 "[ . 1 . 2]"
1 33 PRO 0.372 0.094 18 0 "[ . 1 . 2]"
1 34 HIS 3.496 0.589 8 1 "[ . + 1 . 2]"
1 35 ILE 4.794 0.535 15 1 "[ . 1 + 2]"
1 36 PRO 6.577 0.589 8 2 "[ . + 1 - 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.352 0.122 13 0 "[ . 1 . 2]"
1 39 LEU 1.024 0.207 5 0 "[ . 1 . 2]"
1 40 ARG 0.987 0.207 5 0 "[ . 1 . 2]"
1 41 PRO 1.609 0.285 16 0 "[ . 1 . 2]"
1 42 GLU 2.602 0.285 16 0 "[ . 1 . 2]"
1 43 TYR 1.345 0.225 16 0 "[ . 1 . 2]"
1 44 GLY 0.037 0.027 5 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.052 0.052 13 0 "[ . 1 . 2]"
1 47 ALA 0.087 0.052 13 0 "[ . 1 . 2]"
1 48 ALA 0.035 0.035 2 0 "[ . 1 . 2]"
2 3 MET 0.277 0.211 5 0 "[ . 1 . 2]"
2 4 ALA 0.317 0.211 5 0 "[ . 1 . 2]"
2 5 THR 0.040 0.032 1 0 "[ . 1 . 2]"
2 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 GLU 1.150 0.234 3 0 "[ . 1 . 2]"
2 9 GLU 0.076 0.076 16 0 "[ . 1 . 2]"
2 10 VAL 0.530 0.141 2 0 "[ . 1 . 2]"
2 11 LEU 1.186 0.136 8 0 "[ . 1 . 2]"
2 12 LEU 10.251 0.296 8 0 "[ . 1 . 2]"
2 13 ILE 0.301 0.129 19 0 "[ . 1 . 2]"
2 14 VAL 1.387 0.194 20 0 "[ . 1 . 2]"
2 15 LYS 0.137 0.063 14 0 "[ . 1 . 2]"
2 16 LYS 4.322 0.277 8 0 "[ . 1 . 2]"
2 17 VAL 0.386 0.059 12 0 "[ . 1 . 2]"
2 18 ARG 1.800 0.202 17 0 "[ . 1 . 2]"
2 19 GLN 0.031 0.031 19 0 "[ . 1 . 2]"
2 20 LYS 4.124 0.269 2 0 "[ . 1 . 2]"
2 21 LYS 6.666 0.404 19 0 "[ . 1 . 2]"
2 22 GLN 1.052 0.178 12 0 "[ . 1 . 2]"
2 23 ASP 0.311 0.172 19 0 "[ . 1 . 2]"
2 24 GLY 0.048 0.048 15 0 "[ . 1 . 2]"
2 25 ALA 1.769 0.157 19 0 "[ . 1 . 2]"
2 26 LEU 2.754 0.134 8 0 "[ . 1 . 2]"
2 27 TYR 2.120 0.157 19 0 "[ . 1 . 2]"
2 28 LEU 5.959 0.268 11 0 "[ . 1 . 2]"
2 29 MET 6.004 0.296 8 0 "[ . 1 . 2]"
2 30 ALA 0.946 0.136 8 0 "[ . 1 . 2]"
2 31 GLU 0.612 0.116 19 0 "[ . 1 . 2]"
2 32 ARG 0.027 0.019 6 0 "[ . 1 . 2]"
2 33 ILE 0.863 0.108 16 0 "[ . 1 . 2]"
2 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 TRP 2.536 0.178 12 0 "[ . 1 . 2]"
2 36 ALA 1.236 0.204 17 0 "[ . 1 . 2]"
2 37 PRO 1.118 0.202 17 0 "[ . 1 . 2]"
2 38 GLU 0.023 0.023 8 0 "[ . 1 . 2]"
2 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 PHE 1.379 0.204 17 0 "[ . 1 . 2]"
2 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 ILE 1.843 0.286 20 0 "[ . 1 . 2]"
2 46 SER 0.514 0.110 14 0 "[ . 1 . 2]"
2 47 HIS 5.526 0.187 20 0 "[ . 1 . 2]"
2 48 MET 0.923 0.108 16 0 "[ . 1 . 2]"
2 49 TYR 4.169 0.212 17 0 "[ . 1 . 2]"
2 50 ALA 0.141 0.074 1 0 "[ . 1 . 2]"
2 51 ASP 1.186 0.085 5 0 "[ . 1 . 2]"
2 52 ILE 0.244 0.212 17 0 "[ . 1 . 2]"
2 53 LYS 1.100 0.110 13 0 "[ . 1 . 2]"
2 54 CYS 0.548 0.058 9 0 "[ . 1 . 2]"
2 55 GLN 0.606 0.130 8 0 "[ . 1 . 2]"
2 56 LYS 1.979 0.178 7 0 "[ . 1 . 2]"
2 57 ILE 7.390 0.480 20 0 "[ . 1 . 2]"
2 58 SER 2.043 0.162 17 0 "[ . 1 . 2]"
2 59 PRO 1.784 0.162 17 0 "[ . 1 . 2]"
2 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 LYS 0.126 0.062 20 0 "[ . 1 . 2]"
2 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 LYS 0.126 0.062 20 0 "[ . 1 . 2]"
2 65 ILE 2.773 0.205 20 0 "[ . 1 . 2]"
2 66 GLN 7.947 0.577 4 5 "[ +.- * * . * 2]"
2 67 LEU 5.416 0.257 10 0 "[ . 1 . 2]"
2 68 GLN 2.261 0.168 1 0 "[ . 1 . 2]"
2 69 LEU 0.551 0.050 18 0 "[ . 1 . 2]"
2 70 VAL 3.242 0.315 3 0 "[ . 1 . 2]"
2 71 LEU 9.472 0.217 7 0 "[ . 1 . 2]"
2 72 HIS 2.327 0.110 13 0 "[ . 1 . 2]"
2 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 GLY 0.024 0.020 7 0 "[ . 1 . 2]"
2 75 ASP 2.885 0.123 14 0 "[ . 1 . 2]"
2 76 THR 3.346 0.315 3 0 "[ . 1 . 2]"
2 77 THR 0.392 0.066 11 0 "[ . 1 . 2]"
2 78 ASN 0.037 0.021 11 0 "[ . 1 . 2]"
2 79 PHE 1.418 0.286 20 0 "[ . 1 . 2]"
2 80 HIS 8.290 0.577 4 5 "[ +.- * * . * 2]"
2 81 PHE 2.304 0.127 4 0 "[ . 1 . 2]"
2 82 SER 0.290 0.082 13 0 "[ . 1 . 2]"
2 83 ASN 0.021 0.012 1 0 "[ . 1 . 2]"
2 84 GLU 0.395 0.086 3 0 "[ . 1 . 2]"
2 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 THR 0.625 0.211 4 0 "[ . 1 . 2]"
2 87 ALA 1.533 0.116 16 0 "[ . 1 . 2]"
2 88 VAL 3.546 0.205 20 0 "[ . 1 . 2]"
2 89 LYS 0.028 0.028 13 0 "[ . 1 . 2]"
2 90 GLU 2.572 0.211 4 0 "[ . 1 . 2]"
2 91 ARG 0.199 0.105 14 0 "[ . 1 . 2]"
2 92 ASP 1.041 0.067 5 0 "[ . 1 . 2]"
2 93 ALA 1.130 0.094 9 0 "[ . 1 . 2]"
2 94 VAL 1.562 0.144 8 0 "[ . 1 . 2]"
2 95 LYS 6.498 0.480 20 0 "[ . 1 . 2]"
2 96 ASP 2.671 0.157 9 0 "[ . 1 . 2]"
2 97 LEU 3.421 0.268 11 0 "[ . 1 . 2]"
2 98 LEU 3.099 0.130 4 0 "[ . 1 . 2]"
2 99 GLN 1.522 0.116 7 0 "[ . 1 . 2]"
2 100 GLN 2.453 0.223 13 0 "[ . 1 . 2]"
2 101 LEU 2.983 0.294 19 0 "[ . 1 . 2]"
2 102 LEU 1.211 0.097 1 0 "[ . 1 . 2]"
2 103 PRO 0.957 0.387 17 0 "[ . 1 . 2]"
2 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 105 PHE 2.195 0.294 19 0 "[ . 1 . 2]"
2 106 LYS 0.984 0.387 17 0 "[ . 1 . 2]"
2 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 108 LYS 0.412 0.373 20 0 "[ . 1 . 2]"
2 109 ALA 1.669 0.491 7 0 "[ . 1 . 2]"
2 110 ASN 1.257 0.491 7 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 9 ALA MB 1 11 GLY QA 3.400 . 7.500 5.066 4.167 5.755 . 0 0 "[ . 1 . 2]" 1
2 1 10 LEU QB 1 11 GLY QA 3.400 . 7.000 3.960 3.393 4.420 . 0 0 "[ . 1 . 2]" 1
3 1 19 ASP HA 1 22 PHE QD 2.900 . 5.300 4.446 3.982 4.568 . 0 0 "[ . 1 . 2]" 1
4 1 19 ASP HA 1 22 PHE QE 2.900 . 5.300 2.667 1.995 2.946 . 0 0 "[ . 1 . 2]" 1
5 1 19 ASP QB 1 22 PHE QD 3.400 . 8.000 5.347 4.816 5.555 . 0 0 "[ . 1 . 2]" 1
6 1 19 ASP QB 1 22 PHE QE 3.400 . 8.000 4.352 3.730 4.588 . 0 0 "[ . 1 . 2]" 1
7 1 20 GLU HA 1 22 PHE QD 3.400 . 7.000 2.941 2.615 3.146 . 0 0 "[ . 1 . 2]" 1
8 1 20 GLU HA 1 22 PHE QE 3.400 . 7.000 3.745 3.649 3.808 . 0 0 "[ . 1 . 2]" 1
9 1 20 GLU QB 1 22 PHE QD 3.900 . 9.000 4.445 4.187 4.761 . 0 0 "[ . 1 . 2]" 1
10 1 20 GLU QB 1 22 PHE QE 3.900 . 9.000 4.781 4.413 4.942 . 0 0 "[ . 1 . 2]" 1
11 1 20 GLU QG 1 22 PHE QD 3.900 . 9.000 5.125 4.633 5.571 . 0 0 "[ . 1 . 2]" 1
12 1 20 GLU QB 1 21 ASP HA 3.400 . 6.000 4.123 3.614 4.962 . 0 0 "[ . 1 . 2]" 1
13 1 20 GLU QG 1 21 ASP HA 3.400 . 6.000 4.829 3.205 5.557 . 0 0 "[ . 1 . 2]" 1
14 1 21 ASP HA 1 22 PHE QD 3.400 . 7.000 4.221 3.943 4.723 . 0 0 "[ . 1 . 2]" 1
15 1 21 ASP QB 1 22 PHE QD 3.900 . 9.000 4.168 3.956 4.537 . 0 0 "[ . 1 . 2]" 1
16 1 22 PHE HA 1 23 VAL MG2 2.400 . 4.200 3.296 3.252 3.352 . 0 0 "[ . 1 . 2]" 1
17 1 19 ASP HA 1 22 PHE HZ 3.400 . 5.000 3.601 2.864 3.947 . 0 0 "[ . 1 . 2]" 1
18 1 20 GLU HA 1 22 PHE HZ 3.900 . 6.000 6.132 6.087 6.169 0.169 1 0 "[ . 1 . 2]" 1
19 1 22 PHE HB3 1 23 VAL HA 3.400 . 5.000 4.773 4.734 4.817 . 0 0 "[ . 1 . 2]" 1
20 1 22 PHE QD 1 23 VAL HA 3.900 . 8.000 6.071 6.040 6.093 . 0 0 "[ . 1 . 2]" 1
21 1 22 PHE QD 1 23 VAL MG2 3.400 . 8.500 4.912 4.786 5.014 . 0 0 "[ . 1 . 2]" 1
22 1 24 GLU HA 1 25 VAL MG2 3.400 . 6.500 3.308 3.196 3.390 . 0 0 "[ . 1 . 2]" 1
23 1 24 GLU QG 1 26 PRO HA 3.400 . 6.000 4.042 3.463 4.277 . 0 0 "[ . 1 . 2]" 1
24 1 25 VAL HA 1 26 PRO QD 2.400 . 3.700 1.875 1.803 1.932 . 0 0 "[ . 1 . 2]" 1
25 1 25 VAL MG1 1 26 PRO QD 2.400 . 5.200 2.480 2.390 2.601 . 0 0 "[ . 1 . 2]" 1
26 1 25 VAL MG2 1 26 PRO QD 2.900 . 5.800 3.673 3.617 3.703 . 0 0 "[ . 1 . 2]" 1
27 1 25 VAL MG1 1 26 PRO HA 3.400 . 6.500 4.481 4.340 4.638 . 0 0 "[ . 1 . 2]" 1
28 1 25 VAL MG1 1 26 PRO QB 3.400 . 7.500 4.630 4.561 4.702 . 0 0 "[ . 1 . 2]" 1
29 1 25 VAL MG1 1 26 PRO QG 2.400 . 5.200 3.692 3.627 3.754 . 0 0 "[ . 1 . 2]" 1
30 1 26 PRO HA 1 27 GLU QB 3.400 . 6.000 4.692 4.468 4.845 . 0 0 "[ . 1 . 2]" 1
31 1 26 PRO HA 1 27 GLU QG 3.900 . 7.000 3.447 3.141 4.575 . 0 0 "[ . 1 . 2]" 1
32 1 28 LYS QB 1 31 TYR QD 3.400 . 8.000 3.276 2.748 3.625 . 0 0 "[ . 1 . 2]" 1
33 1 28 LYS QB 1 31 TYR QE 3.900 . 9.000 4.704 4.166 4.997 . 0 0 "[ . 1 . 2]" 1
34 1 28 LYS QD 1 31 TYR QD 3.900 . 9.000 4.043 2.378 4.459 . 0 0 "[ . 1 . 2]" 1
35 1 28 LYS QD 1 31 TYR QE 3.900 . 9.000 4.467 3.025 4.972 . 0 0 "[ . 1 . 2]" 1
36 1 28 LYS QG 1 30 GLY QA 3.900 . 8.000 5.918 5.536 6.123 . 0 0 "[ . 1 . 2]" 1
37 1 28 LYS QG 1 31 TYR HA 3.900 . 7.000 5.245 4.238 6.046 . 0 0 "[ . 1 . 2]" 1
38 1 28 LYS QG 1 31 TYR QD 3.900 . 9.000 3.692 2.199 4.214 . 0 0 "[ . 1 . 2]" 1
39 1 28 LYS QG 1 31 TYR QE 3.900 . 9.000 4.813 3.060 5.406 . 0 0 "[ . 1 . 2]" 1
40 1 29 GLU QB 1 30 GLY QA 3.900 . 8.000 3.535 3.272 3.779 . 0 0 "[ . 1 . 2]" 1
41 1 28 LYS QB 1 30 GLY QA 3.900 . 8.000 4.674 4.280 4.927 . 0 0 "[ . 1 . 2]" 1
42 1 29 GLU QG 1 30 GLY QA 3.400 . 7.000 4.069 2.994 5.167 . 0 0 "[ . 1 . 2]" 1
43 1 30 GLY QA 1 31 TYR QD 3.900 . 9.000 5.353 3.767 5.631 . 0 0 "[ . 1 . 2]" 1
44 1 28 LYS QB 1 31 TYR QB 3.400 . 7.000 1.989 1.681 2.226 0.119 13 0 "[ . 1 . 2]" 1
45 1 31 TYR QD 1 33 PRO HA 3.400 . 7.000 4.500 3.730 5.476 . 0 0 "[ . 1 . 2]" 1
46 1 31 TYR QD 1 33 PRO QB 3.400 . 8.000 4.908 3.118 6.190 . 0 0 "[ . 1 . 2]" 1
47 1 31 TYR QD 1 33 PRO QD 3.900 . 9.000 3.810 2.130 4.841 . 0 0 "[ . 1 . 2]" 1
48 1 31 TYR QD 1 33 PRO QG 3.900 . 9.000 4.487 1.913 6.052 . 0 0 "[ . 1 . 2]" 1
49 1 31 TYR QE 1 33 PRO HA 2.400 . 4.700 3.260 2.243 4.648 . 0 0 "[ . 1 . 2]" 1
50 1 31 TYR QE 1 33 PRO QB 2.900 . 6.300 3.624 1.966 4.937 . 0 0 "[ . 1 . 2]" 1
51 1 31 TYR QE 1 33 PRO QG 3.400 . 8.000 3.778 2.322 5.584 . 0 0 "[ . 1 . 2]" 1
52 1 31 TYR QD 1 32 GLU HA 3.400 . 7.000 3.954 3.041 4.665 . 0 0 "[ . 1 . 2]" 1
53 1 31 TYR QE 1 32 GLU HA 3.400 . 7.000 4.816 3.824 5.952 . 0 0 "[ . 1 . 2]" 1
54 1 32 GLU HA 1 33 PRO QD 2.400 . 3.700 1.916 1.726 2.122 0.074 5 0 "[ . 1 . 2]" 1
55 1 31 TYR QD 1 32 GLU QG 3.900 . 9.000 5.305 4.666 6.091 . 0 0 "[ . 1 . 2]" 1
56 1 32 GLU QG 1 33 PRO QD 3.400 . 7.000 3.473 1.706 4.441 0.094 18 0 "[ . 1 . 2]" 1
57 1 31 TYR QE 1 33 PRO QD 3.900 . 9.000 3.953 2.560 5.071 . 0 0 "[ . 1 . 2]" 1
58 1 33 PRO QB 1 34 HIS HA 3.900 . 7.000 4.462 4.023 5.188 . 0 0 "[ . 1 . 2]" 1
59 1 33 PRO QG 1 34 HIS HA 3.900 . 7.000 5.427 4.284 6.255 . 0 0 "[ . 1 . 2]" 1
60 1 34 HIS HA 1 35 ILE QG 3.400 . 6.000 5.307 3.171 5.545 . 0 0 "[ . 1 . 2]" 1
61 1 34 HIS HA 1 35 ILE MG 3.400 . 6.500 4.014 2.774 5.222 . 0 0 "[ . 1 . 2]" 1
62 1 34 HIS QB 1 35 ILE HB 3.400 . 6.000 4.727 3.330 5.268 . 0 0 "[ . 1 . 2]" 1
63 1 34 HIS QB 1 35 ILE MD 3.400 . 7.500 5.285 4.017 5.495 . 0 0 "[ . 1 . 2]" 1
64 1 34 HIS QB 1 35 ILE QG 3.400 . 7.000 5.018 3.131 5.513 . 0 0 "[ . 1 . 2]" 1
65 1 34 HIS QB 1 35 ILE MG 3.400 . 7.500 4.174 3.315 5.672 . 0 0 "[ . 1 . 2]" 1
66 1 34 HIS HD2 1 35 ILE QG 3.900 . 7.000 5.264 4.384 6.216 . 0 0 "[ . 1 . 2]" 1
67 1 34 HIS HD2 1 35 ILE MG 3.400 . 6.500 4.217 2.568 5.326 . 0 0 "[ . 1 . 2]" 1
68 1 34 HIS HD2 1 36 PRO HA 3.400 . 5.000 4.938 4.174 5.222 0.222 10 0 "[ . 1 . 2]" 1
69 1 35 ILE HA 1 36 PRO QD 2.400 . 3.700 2.774 1.882 3.566 . 0 0 "[ . 1 . 2]" 1
70 1 34 HIS HA 1 35 ILE HB 3.900 . 6.000 4.609 3.854 5.576 . 0 0 "[ . 1 . 2]" 1
71 1 35 ILE HB 1 36 PRO QD 3.400 . 6.000 3.602 1.932 3.816 . 0 0 "[ . 1 . 2]" 1
72 1 35 ILE MD 1 36 PRO QD 2.400 . 5.200 3.427 2.826 3.912 . 0 0 "[ . 1 . 2]" 1
73 1 35 ILE QG 1 36 PRO QD 3.400 . 7.000 1.925 1.419 2.519 0.381 14 0 "[ . 1 . 2]" 1
74 1 35 ILE QG 1 36 PRO QG 3.400 . 7.000 3.098 2.415 4.053 . 0 0 "[ . 1 . 2]" 1
75 1 35 ILE MG 1 36 PRO QB 3.400 . 7.500 4.127 2.986 4.731 . 0 0 "[ . 1 . 2]" 1
76 1 35 ILE MG 1 36 PRO QD 2.400 . 5.200 2.222 1.265 3.368 0.535 15 1 "[ . 1 + 2]" 1
77 1 35 ILE MG 1 36 PRO HA 3.400 . 6.500 4.369 3.800 4.960 . 0 0 "[ . 1 . 2]" 1
78 1 35 ILE QG 1 36 PRO QB 2.900 . 5.300 3.907 2.951 4.484 . 0 0 "[ . 1 . 2]" 1
79 1 36 PRO QB 1 38 HIS HD2 3.900 . 7.000 5.422 2.622 6.346 . 0 0 "[ . 1 . 2]" 1
80 1 36 PRO QB 1 38 HIS HE1 3.400 . 6.000 4.003 2.796 5.276 . 0 0 "[ . 1 . 2]" 1
81 1 34 HIS HD2 1 36 PRO QD 3.900 . 7.000 3.759 1.211 5.681 0.589 8 1 "[ . + 1 . 2]" 1
82 1 35 ILE MG 1 36 PRO QG 2.400 . 5.200 3.388 2.903 3.854 . 0 0 "[ . 1 . 2]" 1
83 1 36 PRO QG 1 38 HIS HE1 3.900 . 7.000 5.003 2.778 6.390 . 0 0 "[ . 1 . 2]" 1
84 1 38 HIS HD2 1 39 LEU QD 2.400 . 6.600 3.446 1.997 4.947 . 0 0 "[ . 1 . 2]" 1
85 1 38 HIS HD2 1 39 LEU HG 3.400 . 5.000 3.790 1.781 5.089 0.089 2 0 "[ . 1 . 2]" 1
86 1 40 ARG HA 1 41 PRO QD 2.400 . 3.700 2.042 1.706 3.528 0.094 16 0 "[ . 1 . 2]" 1
87 1 43 TYR HA 1 44 GLY QA 3.400 . 6.000 4.096 3.877 4.351 . 0 0 "[ . 1 . 2]" 1
88 1 43 TYR QD 1 44 GLY QA 3.900 . 9.000 4.839 3.183 5.569 . 0 0 "[ . 1 . 2]" 1
89 1 43 TYR QE 1 44 GLY QA 3.900 . 9.000 6.342 4.124 7.387 . 0 0 "[ . 1 . 2]" 1
90 1 44 GLY QA 1 45 LEU QD 3.900 . 10.900 3.937 2.822 4.499 . 0 0 "[ . 1 . 2]" 1
91 1 44 GLY QA 1 45 LEU HG 3.400 . 6.000 3.978 3.512 4.797 . 0 0 "[ . 1 . 2]" 1
92 1 9 ALA MB 1 10 LEU H 2.900 . 5.000 2.708 1.574 3.710 0.226 5 0 "[ . 1 . 2]" 1
93 1 9 ALA MB 1 11 GLY H 3.900 . 7.500 4.230 2.757 5.401 . 0 0 "[ . 1 . 2]" 1
94 1 10 LEU HA 1 11 GLY H 2.900 . 3.500 2.825 2.119 3.555 0.055 6 0 "[ . 1 . 2]" 1
95 1 10 LEU QB 1 11 GLY H 3.900 . 7.000 3.210 1.661 4.005 0.139 5 0 "[ . 1 . 2]" 1
96 1 11 GLY H 1 12 ASP QB 3.900 . 7.000 4.780 3.539 5.889 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLY QA 1 12 ASP H 2.900 . 4.500 2.502 2.155 2.883 . 0 0 "[ . 1 . 2]" 1
98 1 12 ASP H 1 13 ALA MB 3.400 . 6.500 4.681 3.545 5.476 . 0 0 "[ . 1 . 2]" 1
99 1 11 GLY QA 1 13 ALA H 3.900 . 7.000 5.074 3.160 6.042 . 0 0 "[ . 1 . 2]" 1
100 1 12 ASP HA 1 13 ALA H 2.400 . 2.900 2.580 2.088 3.370 0.470 16 0 "[ . 1 . 2]" 1
101 1 12 ASP QB 1 13 ALA H 3.400 . 6.000 3.092 1.712 4.018 0.088 5 0 "[ . 1 . 2]" 1
102 1 13 ALA HA 1 14 GLU H 2.400 . 2.900 2.723 2.177 3.262 0.362 4 0 "[ . 1 . 2]" 1
103 1 13 ALA MB 1 14 GLU H 2.900 . 5.000 3.118 1.622 3.711 0.178 9 0 "[ . 1 . 2]" 1
104 1 15 GLU HA 1 16 ASP H 2.400 . 2.900 2.530 2.143 3.240 0.340 16 0 "[ . 1 . 2]" 1
105 1 16 ASP HA 1 17 GLU H 2.400 . 2.900 2.399 2.090 3.228 0.328 3 0 "[ . 1 . 2]" 1
106 1 17 GLU HA 1 18 ASP H 2.400 . 2.900 2.218 2.135 2.905 0.005 4 0 "[ . 1 . 2]" 1
107 1 18 ASP HA 1 19 ASP H 2.400 . 2.900 2.183 2.066 2.818 . 0 0 "[ . 1 . 2]" 1
108 1 18 ASP QB 1 19 ASP H 3.400 . 6.000 3.421 3.057 3.837 . 0 0 "[ . 1 . 2]" 1
109 1 19 ASP H 1 20 GLU H 2.900 . 3.500 2.595 2.020 3.157 . 0 0 "[ . 1 . 2]" 1
110 1 18 ASP HA 1 20 GLU H 2.900 . 3.500 3.515 3.361 3.622 0.122 12 0 "[ . 1 . 2]" 1
111 1 19 ASP HA 1 20 GLU H 2.900 . 3.500 3.171 2.875 3.485 . 0 0 "[ . 1 . 2]" 1
112 1 20 GLU H 1 21 ASP QB 3.400 . 6.000 4.461 4.389 4.575 . 0 0 "[ . 1 . 2]" 1
113 1 20 GLU HA 1 21 ASP H 2.400 . 2.900 2.470 2.339 2.564 . 0 0 "[ . 1 . 2]" 1
114 1 20 GLU QB 1 21 ASP H 3.400 . 6.000 2.384 1.953 3.388 . 0 0 "[ . 1 . 2]" 1
115 1 20 GLU QG 1 21 ASP H 3.400 . 6.000 3.441 2.046 4.065 . 0 0 "[ . 1 . 2]" 1
116 1 21 ASP H 1 22 PHE QD 3.900 . 8.000 3.487 3.217 3.761 . 0 0 "[ . 1 . 2]" 1
117 1 21 ASP H 1 22 PHE H 2.900 . 3.500 2.850 2.614 3.017 . 0 0 "[ . 1 . 2]" 1
118 1 21 ASP H 1 23 VAL MG1 3.900 . 7.500 6.297 6.187 6.330 . 0 0 "[ . 1 . 2]" 1
119 1 20 GLU HA 1 22 PHE H 3.400 . 5.000 4.017 3.041 4.270 . 0 0 "[ . 1 . 2]" 1
120 1 20 GLU H 1 22 PHE H 3.900 . 6.000 5.916 4.739 6.164 0.164 4 0 "[ . 1 . 2]" 1
121 1 21 ASP HA 1 22 PHE H 2.400 . 2.900 2.512 2.377 3.159 0.259 17 0 "[ . 1 . 2]" 1
122 1 22 PHE H 1 23 VAL MG1 3.900 . 7.500 4.501 4.383 5.088 . 0 0 "[ . 1 . 2]" 1
123 1 22 PHE H 1 23 VAL H 3.400 . 5.000 4.246 4.193 4.480 . 0 0 "[ . 1 . 2]" 1
124 1 22 PHE HA 1 23 VAL H 2.900 . 3.500 2.074 2.038 2.088 . 0 0 "[ . 1 . 2]" 1
125 1 22 PHE HB3 1 23 VAL H 3.900 . 6.000 3.247 3.137 3.275 . 0 0 "[ . 1 . 2]" 1
126 1 22 PHE HB2 1 23 VAL H 3.900 . 6.000 4.215 4.152 4.242 . 0 0 "[ . 1 . 2]" 1
127 1 22 PHE QD 1 23 VAL H 3.900 . 8.000 4.320 4.188 4.416 . 0 0 "[ . 1 . 2]" 1
128 1 23 VAL H 1 24 GLU H 3.900 . 6.000 4.376 4.367 4.384 . 0 0 "[ . 1 . 2]" 1
129 1 23 VAL HA 1 24 GLU H 2.400 . 2.900 2.070 2.054 2.089 . 0 0 "[ . 1 . 2]" 1
130 1 23 VAL MG2 1 24 GLU H 2.900 . 5.000 4.205 4.192 4.224 . 0 0 "[ . 1 . 2]" 1
131 1 24 GLU H 1 25 VAL H 3.900 . 6.000 4.429 4.353 4.479 . 0 0 "[ . 1 . 2]" 1
132 1 24 GLU HA 1 25 VAL H 2.900 . 3.500 2.050 2.013 2.074 . 0 0 "[ . 1 . 2]" 1
133 1 26 PRO HA 1 27 GLU H 2.400 . 2.900 2.436 2.381 2.472 . 0 0 "[ . 1 . 2]" 1
134 1 26 PRO QD 1 27 GLU H 3.900 . 7.000 4.890 4.853 4.926 . 0 0 "[ . 1 . 2]" 1
135 1 27 GLU H 1 28 LYS QD 3.900 . 7.000 5.738 5.362 6.214 . 0 0 "[ . 1 . 2]" 1
136 1 28 LYS H 1 29 GLU H 2.900 . 3.500 2.053 1.879 2.204 . 0 0 "[ . 1 . 2]" 1
137 1 28 LYS QD 1 29 GLU H 3.400 . 6.000 4.601 4.379 4.809 . 0 0 "[ . 1 . 2]" 1
138 1 28 LYS QE 1 29 GLU H 3.900 . 7.000 5.140 4.770 6.019 . 0 0 "[ . 1 . 2]" 1
139 1 28 LYS QG 1 29 GLU H 3.400 . 6.000 4.244 2.539 4.492 . 0 0 "[ . 1 . 2]" 1
140 1 29 GLU H 1 30 GLY QA 3.900 . 7.000 5.127 4.911 5.267 . 0 0 "[ . 1 . 2]" 1
141 1 28 LYS QE 1 30 GLY H 3.900 . 7.000 6.282 5.952 6.431 . 0 0 "[ . 1 . 2]" 1
142 1 29 GLU HA 1 30 GLY H 2.900 . 3.500 3.556 3.532 3.572 0.072 11 0 "[ . 1 . 2]" 1
143 1 29 GLU QB 1 30 GLY H 3.900 . 7.000 2.085 1.774 2.561 0.026 13 0 "[ . 1 . 2]" 1
144 1 29 GLU QG 1 30 GLY H 3.900 . 7.000 3.495 2.833 4.455 . 0 0 "[ . 1 . 2]" 1
145 1 30 GLY H 1 31 TYR H 3.900 . 6.000 3.591 3.012 3.764 . 0 0 "[ . 1 . 2]" 1
146 1 28 LYS HA 1 31 TYR H 3.900 . 6.000 6.013 5.308 6.168 0.168 11 0 "[ . 1 . 2]" 1
147 1 28 LYS QB 1 31 TYR H 3.900 . 7.000 3.844 3.119 4.158 . 0 0 "[ . 1 . 2]" 1
148 1 29 GLU QB 1 31 TYR H 3.900 . 7.000 4.904 4.552 5.405 . 0 0 "[ . 1 . 2]" 1
149 1 30 GLY QA 1 31 TYR H 2.400 . 3.900 2.392 2.220 2.491 . 0 0 "[ . 1 . 2]" 1
150 1 31 TYR H 1 32 GLU QG 3.900 . 7.000 4.756 2.592 6.094 . 0 0 "[ . 1 . 2]" 1
151 1 31 TYR QB 1 32 GLU H 2.900 . 4.500 3.175 1.832 3.851 . 0 0 "[ . 1 . 2]" 1
152 1 31 TYR QD 1 32 GLU H 3.400 . 7.000 3.033 2.080 3.670 . 0 0 "[ . 1 . 2]" 1
153 1 33 PRO HA 1 34 HIS H 2.900 . 3.500 2.776 2.115 3.573 0.073 10 0 "[ . 1 . 2]" 1
154 1 34 HIS HA 1 35 ILE H 2.900 . 3.500 2.645 2.105 3.526 0.026 14 0 "[ . 1 . 2]" 1
155 1 34 HIS QB 1 35 ILE H 3.400 . 6.000 2.286 1.467 3.965 0.333 3 0 "[ . 1 . 2]" 1
156 1 36 PRO QB 1 37 ASP H 3.400 . 6.000 3.621 2.116 4.006 . 0 0 "[ . 1 . 2]" 1
157 1 38 HIS HA 1 39 LEU H 2.900 . 3.500 3.114 2.703 3.524 0.024 20 0 "[ . 1 . 2]" 1
158 1 38 HIS QB 1 39 LEU H 3.900 . 7.000 3.600 1.678 4.026 0.122 13 0 "[ . 1 . 2]" 1
159 1 39 LEU H 1 40 ARG QG 3.900 . 7.000 4.278 2.917 6.350 . 0 0 "[ . 1 . 2]" 1
160 1 39 LEU HA 1 40 ARG H 2.400 . 2.900 2.664 2.217 3.107 0.207 5 0 "[ . 1 . 2]" 1
161 1 39 LEU QD 1 40 ARG H 3.900 . 9.900 4.141 3.222 4.417 . 0 0 "[ . 1 . 2]" 1
162 1 40 ARG H 1 41 PRO QD 3.900 . 7.000 3.922 1.749 4.393 0.051 7 0 "[ . 1 . 2]" 1
163 1 41 PRO HA 1 42 GLU H 2.400 . 2.900 2.792 2.234 3.185 0.285 16 0 "[ . 1 . 2]" 1
164 1 41 PRO QD 1 42 GLU H 3.900 . 7.000 3.673 2.332 4.802 . 0 0 "[ . 1 . 2]" 1
165 1 42 GLU H 1 43 TYR HA 3.400 . 5.000 4.919 4.299 5.225 0.225 16 0 "[ . 1 . 2]" 1
166 1 42 GLU H 1 43 TYR QD 3.900 . 8.000 5.286 3.678 6.256 . 0 0 "[ . 1 . 2]" 1
167 1 42 GLU H 1 43 TYR H 3.400 . 5.000 3.908 2.249 4.570 . 0 0 "[ . 1 . 2]" 1
168 1 42 GLU HA 1 43 TYR H 2.400 . 2.900 2.476 2.149 3.083 0.183 19 0 "[ . 1 . 2]" 1
169 1 42 GLU QB 1 43 TYR H 3.400 . 6.000 3.313 2.146 3.926 . 0 0 "[ . 1 . 2]" 1
170 1 42 GLU QG 1 43 TYR H 3.400 . 6.000 3.689 2.114 4.752 . 0 0 "[ . 1 . 2]" 1
171 1 43 TYR HA 1 44 GLY H 2.900 . 3.500 2.798 2.192 3.527 0.027 5 0 "[ . 1 . 2]" 1
172 1 43 TYR QB 1 44 GLY H 3.900 . 7.000 3.179 2.367 3.965 . 0 0 "[ . 1 . 2]" 1
173 1 43 TYR QD 1 44 GLY H 3.900 . 8.000 4.068 2.949 4.928 . 0 0 "[ . 1 . 2]" 1
174 1 43 TYR H 1 44 GLY H 3.400 . 5.000 3.274 1.790 4.593 0.010 2 0 "[ . 1 . 2]" 1
175 1 43 TYR HA 1 45 LEU H 3.900 . 6.000 4.141 3.205 5.409 . 0 0 "[ . 1 . 2]" 1
176 1 44 GLY QA 1 45 LEU H 2.400 . 3.900 2.765 2.195 2.920 . 0 0 "[ . 1 . 2]" 1
177 1 46 GLU HA 1 47 ALA H 2.900 . 3.500 2.658 2.150 3.552 0.052 13 0 "[ . 1 . 2]" 1
178 1 47 ALA HA 1 48 ALA H 2.900 . 3.500 2.844 2.135 3.535 0.035 2 0 "[ . 1 . 2]" 1
179 1 22 PHE HA 1 22 PHE HB3 2.400 . 2.700 2.543 2.513 2.569 . 0 0 "[ . 1 . 2]" 1
180 1 22 PHE HA 1 22 PHE HB2 2.900 . 3.300 3.037 3.020 3.043 . 0 0 "[ . 1 . 2]" 1
181 1 22 PHE H 1 22 PHE HA 2.900 . 3.500 2.934 2.845 2.953 . 0 0 "[ . 1 . 2]" 1
182 1 22 PHE H 1 22 PHE HB3 3.400 . 5.000 3.725 3.617 3.770 . 0 0 "[ . 1 . 2]" 1
183 1 22 PHE H 1 22 PHE HB2 2.400 . 2.900 2.596 2.452 2.660 . 0 0 "[ . 1 . 2]" 1
184 1 23 VAL HA 1 23 VAL MG1 2.400 . 4.200 2.114 2.076 2.148 . 0 0 "[ . 1 . 2]" 1
185 1 23 VAL HA 1 23 VAL HB 2.400 . 2.700 2.566 2.555 2.597 . 0 0 "[ . 1 . 2]" 1
186 1 23 VAL HA 1 23 VAL MG2 2.900 . 4.800 3.181 3.173 3.186 . 0 0 "[ . 1 . 2]" 1
187 1 23 VAL H 1 23 VAL HA 2.900 . 3.500 2.883 2.879 2.891 . 0 0 "[ . 1 . 2]" 1
188 1 23 VAL H 1 23 VAL HB 3.400 . 5.000 3.544 3.540 3.546 . 0 0 "[ . 1 . 2]" 1
189 1 23 VAL H 1 23 VAL MG2 2.400 . 4.400 1.682 1.639 1.774 0.161 3 0 "[ . 1 . 2]" 1
190 1 23 VAL H 1 23 VAL MG1 2.400 . 4.400 2.465 2.411 2.600 . 0 0 "[ . 1 . 2]" 1
191 1 25 VAL HA 1 25 VAL MG1 2.400 . 4.200 2.250 2.173 2.283 . 0 0 "[ . 1 . 2]" 1
192 1 25 VAL HA 1 25 VAL MG2 2.400 . 4.200 2.489 2.452 2.517 . 0 0 "[ . 1 . 2]" 1
193 1 25 VAL HA 1 25 VAL HB 2.900 . 3.300 3.033 3.024 3.040 . 0 0 "[ . 1 . 2]" 1
194 1 25 VAL H 1 25 VAL HA 2.900 . 3.500 2.907 2.885 2.923 . 0 0 "[ . 1 . 2]" 1
195 1 25 VAL H 1 25 VAL HB 2.400 . 2.900 2.683 2.638 2.730 . 0 0 "[ . 1 . 2]" 1
196 1 25 VAL H 1 25 VAL MG2 2.400 . 4.400 2.113 1.980 2.211 . 0 0 "[ . 1 . 2]" 1
197 1 25 VAL H 1 25 VAL MG1 3.400 . 6.500 3.795 3.760 3.827 . 0 0 "[ . 1 . 2]" 1
198 2 5 THR MG 2 7 SER HA 3.900 . 7.500 6.006 4.839 6.273 . 0 0 "[ . 1 . 2]" 1
199 2 7 SER HA 2 8 GLU QB 3.900 . 7.000 4.536 3.813 5.113 . 0 0 "[ . 1 . 2]" 1
200 2 7 SER HA 2 8 GLU QG 3.900 . 7.000 4.888 3.786 5.725 . 0 0 "[ . 1 . 2]" 1
201 2 5 THR MG 2 7 SER QB 3.900 . 8.500 5.003 3.809 6.393 . 0 0 "[ . 1 . 2]" 1
202 2 7 SER QB 2 8 GLU QG 3.900 . 8.000 5.170 3.722 6.099 . 0 0 "[ . 1 . 2]" 1
203 2 10 VAL HA 2 29 MET HA 2.400 . 2.700 2.360 2.147 2.600 . 0 0 "[ . 1 . 2]" 1
204 2 10 VAL HA 2 29 MET QG 3.400 . 6.000 3.340 2.045 4.403 . 0 0 "[ . 1 . 2]" 1
205 2 10 VAL HB 2 13 ILE QG 3.900 . 7.000 3.421 2.929 4.034 . 0 0 "[ . 1 . 2]" 1
206 2 10 VAL HB 2 27 TYR QD 3.900 . 8.000 4.490 3.716 4.971 . 0 0 "[ . 1 . 2]" 1
207 2 10 VAL MG1 2 11 LEU HA 3.400 . 6.500 4.219 3.957 4.448 . 0 0 "[ . 1 . 2]" 1
208 2 10 VAL MG1 2 13 ILE HA 3.900 . 7.500 3.283 2.898 3.691 . 0 0 "[ . 1 . 2]" 1
209 2 10 VAL MG1 2 13 ILE QG 2.400 . 5.200 1.924 1.756 2.112 0.044 13 0 "[ . 1 . 2]" 1
210 2 10 VAL MG1 2 27 TYR HA 3.400 . 6.500 3.095 2.916 3.371 . 0 0 "[ . 1 . 2]" 1
211 2 10 VAL MG1 2 27 TYR HB3 3.400 . 6.500 1.915 1.711 2.305 0.089 13 0 "[ . 1 . 2]" 1
212 2 10 VAL MG1 2 27 TYR QD 2.400 . 6.200 2.133 1.659 2.477 0.141 2 0 "[ . 1 . 2]" 1
213 2 10 VAL MG1 2 27 TYR QE 3.400 . 8.500 3.919 3.095 4.225 . 0 0 "[ . 1 . 2]" 1
214 2 10 VAL MG1 2 29 MET HA 3.400 . 6.500 3.773 3.330 4.115 . 0 0 "[ . 1 . 2]" 1
215 2 10 VAL MG2 2 27 TYR QD 2.400 . 6.200 3.494 2.366 3.911 . 0 0 "[ . 1 . 2]" 1
216 2 10 VAL MG2 2 27 TYR QE 2.900 . 6.800 4.665 3.573 5.036 . 0 0 "[ . 1 . 2]" 1
217 2 10 VAL MG2 2 29 MET HA 3.400 . 6.500 4.080 3.865 4.355 . 0 0 "[ . 1 . 2]" 1
218 2 10 VAL MG2 2 29 MET QG 2.900 . 5.800 3.360 2.312 4.125 . 0 0 "[ . 1 . 2]" 1
219 2 9 GLU QG 2 11 LEU MD1 3.900 . 8.500 5.584 3.918 6.141 . 0 0 "[ . 1 . 2]" 1
220 2 11 LEU MD1 2 29 MET HA 3.400 . 6.500 4.017 3.518 4.328 . 0 0 "[ . 1 . 2]" 1
221 2 11 LEU MD1 2 30 ALA HA 2.400 . 4.200 1.796 1.664 1.973 0.136 8 0 "[ . 1 . 2]" 1
222 2 11 LEU MD1 2 49 TYR QE 3.400 . 8.500 3.848 3.408 4.310 . 0 0 "[ . 1 . 2]" 1
223 2 11 LEU MD1 2 101 LEU MD1 2.400 . 5.700 2.123 1.737 2.544 0.063 10 0 "[ . 1 . 2]" 1
224 2 9 GLU QB 2 11 LEU MD2 3.400 . 7.500 2.758 2.431 3.364 . 0 0 "[ . 1 . 2]" 1
225 2 9 GLU QG 2 11 LEU MD2 2.900 . 5.800 3.896 2.745 4.297 . 0 0 "[ . 1 . 2]" 1
226 2 11 LEU MD2 2 29 MET HA 3.400 . 6.500 4.281 3.919 4.605 . 0 0 "[ . 1 . 2]" 1
227 2 11 LEU MD2 2 30 ALA HA 2.400 . 4.200 3.281 3.117 3.376 . 0 0 "[ . 1 . 2]" 1
228 2 11 LEU MD2 2 30 ALA MB 2.400 . 5.700 2.890 2.255 3.480 . 0 0 "[ . 1 . 2]" 1
229 2 11 LEU HG 2 29 MET HA 3.400 . 5.000 2.954 2.548 3.250 . 0 0 "[ . 1 . 2]" 1
230 2 11 LEU HG 2 30 ALA HA 3.400 . 5.000 2.955 2.696 3.588 . 0 0 "[ . 1 . 2]" 1
231 2 12 LEU HB3 2 28 LEU QB 3.400 . 6.000 1.683 1.608 1.771 0.192 3 0 "[ . 1 . 2]" 1
232 2 12 LEU HB3 2 94 VAL HA 3.900 . 6.000 4.549 4.366 4.666 . 0 0 "[ . 1 . 2]" 1
233 2 12 LEU HB2 2 28 LEU QB 3.400 . 6.000 2.375 2.237 2.441 . 0 0 "[ . 1 . 2]" 1
234 2 12 LEU MD1 2 94 VAL HA 3.400 . 6.500 4.399 4.189 4.615 . 0 0 "[ . 1 . 2]" 1
235 2 12 LEU MD2 2 28 LEU HA 3.900 . 7.500 5.080 4.963 5.204 . 0 0 "[ . 1 . 2]" 1
236 2 12 LEU MD2 2 81 PHE QE 3.900 . 9.500 4.688 4.448 4.840 . 0 0 "[ . 1 . 2]" 1
237 2 12 LEU MD2 2 81 PHE HZ 3.900 . 7.500 5.322 5.211 5.425 . 0 0 "[ . 1 . 2]" 1
238 2 12 LEU MD2 2 93 ALA HA 3.400 . 6.500 3.789 3.564 3.996 . 0 0 "[ . 1 . 2]" 1
239 2 12 LEU MD2 2 94 VAL HA 2.900 . 4.800 2.228 2.107 2.358 . 0 0 "[ . 1 . 2]" 1
240 2 12 LEU MD2 2 94 VAL MG2 2.400 . 5.700 1.841 1.742 1.931 0.058 7 0 "[ . 1 . 2]" 1
241 2 12 LEU HG 2 13 ILE HA 3.900 . 6.000 4.265 4.106 4.399 . 0 0 "[ . 1 . 2]" 1
242 2 13 ILE HA 2 14 VAL HA 3.400 . 5.000 4.410 4.398 4.422 . 0 0 "[ . 1 . 2]" 1
243 2 13 ILE HA 2 14 VAL HB 3.900 . 6.000 4.685 4.549 4.848 . 0 0 "[ . 1 . 2]" 1
244 2 13 ILE HA 2 14 VAL MG2 3.900 . 7.500 3.654 3.310 3.874 . 0 0 "[ . 1 . 2]" 1
245 2 13 ILE HA 2 27 TYR HA 2.900 . 3.300 2.649 2.549 2.747 . 0 0 "[ . 1 . 2]" 1
246 2 13 ILE HA 2 27 TYR QD 3.900 . 8.000 2.818 2.337 3.842 . 0 0 "[ . 1 . 2]" 1
247 2 13 ILE HA 2 27 TYR QE 3.900 . 8.000 4.109 3.554 4.497 . 0 0 "[ . 1 . 2]" 1
248 2 10 VAL MG1 2 13 ILE HB 3.400 . 6.500 4.327 4.184 4.493 . 0 0 "[ . 1 . 2]" 1
249 2 12 LEU HA 2 13 ILE HB 3.900 . 6.000 4.550 4.474 4.617 . 0 0 "[ . 1 . 2]" 1
250 2 13 ILE HB 2 14 VAL HA 3.900 . 6.000 4.915 4.870 4.997 . 0 0 "[ . 1 . 2]" 1
251 2 13 ILE HB 2 15 LYS QE 3.900 . 7.000 5.111 3.549 5.875 . 0 0 "[ . 1 . 2]" 1
252 2 13 ILE HB 2 27 TYR HA 3.900 . 6.000 5.618 5.492 5.754 . 0 0 "[ . 1 . 2]" 1
253 2 13 ILE HB 2 27 TYR QD 3.900 . 8.000 4.560 4.325 5.416 . 0 0 "[ . 1 . 2]" 1
254 2 13 ILE HB 2 27 TYR QE 3.900 . 8.000 4.799 4.327 5.039 . 0 0 "[ . 1 . 2]" 1
255 2 10 VAL HB 2 13 ILE MD 3.900 . 7.500 3.281 2.876 3.748 . 0 0 "[ . 1 . 2]" 1
256 2 10 VAL MG1 2 13 ILE MD 2.400 . 5.700 2.834 2.567 2.969 . 0 0 "[ . 1 . 2]" 1
257 2 12 LEU HA 2 13 ILE MD 3.900 . 7.500 5.068 4.902 5.241 . 0 0 "[ . 1 . 2]" 1
258 2 13 ILE MD 2 15 LYS QE 3.400 . 7.500 4.671 3.833 5.474 . 0 0 "[ . 1 . 2]" 1
259 2 13 ILE MD 2 27 TYR HA 3.900 . 7.500 5.318 5.203 5.480 . 0 0 "[ . 1 . 2]" 1
260 2 13 ILE MD 2 27 TYR HB3 3.900 . 7.500 4.951 4.748 5.235 . 0 0 "[ . 1 . 2]" 1
261 2 13 ILE MD 2 27 TYR HB2 3.900 . 7.500 6.209 6.062 6.243 . 0 0 "[ . 1 . 2]" 1
262 2 13 ILE MD 2 27 TYR QD 3.400 . 8.500 3.315 3.197 3.567 . 0 0 "[ . 1 . 2]" 1
263 2 13 ILE MD 2 27 TYR QE 2.400 . 6.200 3.033 2.454 3.264 . 0 0 "[ . 1 . 2]" 1
264 2 12 LEU HA 2 13 ILE QG 3.900 . 7.000 3.665 3.534 3.787 . 0 0 "[ . 1 . 2]" 1
265 2 12 LEU HG 2 13 ILE QG 3.400 . 6.000 5.024 4.879 5.196 . 0 0 "[ . 1 . 2]" 1
266 2 13 ILE QG 2 27 TYR HA 3.900 . 7.000 3.770 3.621 3.988 . 0 0 "[ . 1 . 2]" 1
267 2 13 ILE QG 2 27 TYR QD 3.900 . 9.000 1.980 1.743 2.631 0.057 12 0 "[ . 1 . 2]" 1
268 2 13 ILE QG 2 27 TYR QE 3.900 . 9.000 3.161 2.659 3.499 . 0 0 "[ . 1 . 2]" 1
269 2 13 ILE MG 2 14 VAL HA 3.400 . 6.500 3.687 3.599 3.833 . 0 0 "[ . 1 . 2]" 1
270 2 13 ILE MG 2 15 LYS HA 3.400 . 6.500 4.314 4.173 4.416 . 0 0 "[ . 1 . 2]" 1
271 2 13 ILE MG 2 15 LYS QD 3.400 . 7.500 3.616 2.050 4.115 . 0 0 "[ . 1 . 2]" 1
272 2 13 ILE MG 2 15 LYS QE 2.400 . 5.200 2.886 1.961 3.581 . 0 0 "[ . 1 . 2]" 1
273 2 13 ILE MG 2 15 LYS QG 3.400 . 7.500 2.863 2.568 3.401 . 0 0 "[ . 1 . 2]" 1
274 2 13 ILE MG 2 25 ALA HA 3.900 . 7.500 5.637 5.242 5.886 . 0 0 "[ . 1 . 2]" 1
275 2 13 ILE MG 2 27 TYR HA 3.400 . 6.500 4.130 3.964 4.366 . 0 0 "[ . 1 . 2]" 1
276 2 13 ILE MG 2 27 TYR HB3 3.900 . 7.500 4.688 4.458 4.943 . 0 0 "[ . 1 . 2]" 1
277 2 13 ILE MG 2 27 TYR HB2 3.900 . 7.500 5.546 5.325 5.735 . 0 0 "[ . 1 . 2]" 1
278 2 13 ILE MG 2 27 TYR QD 3.400 . 8.500 2.626 2.342 3.505 . 0 0 "[ . 1 . 2]" 1
279 2 13 ILE MG 2 27 TYR QE 2.900 . 6.800 2.087 1.671 2.849 0.129 19 0 "[ . 1 . 2]" 1
280 2 14 VAL HA 2 81 PHE QD 3.900 . 8.000 5.353 5.082 5.576 . 0 0 "[ . 1 . 2]" 1
281 2 14 VAL HA 2 81 PHE QE 3.900 . 8.000 5.166 5.008 5.355 . 0 0 "[ . 1 . 2]" 1
282 2 14 VAL HB 2 17 VAL MG2 2.400 . 4.200 2.734 2.386 3.028 . 0 0 "[ . 1 . 2]" 1
283 2 14 VAL HB 2 26 LEU MD1 3.400 . 6.500 4.821 4.562 5.022 . 0 0 "[ . 1 . 2]" 1
284 2 14 VAL HB 2 81 PHE QE 3.900 . 8.000 3.718 3.342 4.137 . 0 0 "[ . 1 . 2]" 1
285 2 14 VAL MG1 2 17 VAL HA 3.400 . 6.500 4.564 4.393 4.702 . 0 0 "[ . 1 . 2]" 1
286 2 14 VAL MG1 2 17 VAL MG2 2.400 . 5.700 2.034 1.920 2.155 . 0 0 "[ . 1 . 2]" 1
287 2 14 VAL MG1 2 25 ALA HA 3.900 . 7.500 4.413 4.112 4.802 . 0 0 "[ . 1 . 2]" 1
288 2 14 VAL MG1 2 26 LEU MD1 3.400 . 8.000 5.049 4.784 5.286 . 0 0 "[ . 1 . 2]" 1
289 2 14 VAL MG1 2 81 PHE HB3 3.900 . 7.500 3.994 3.720 4.430 . 0 0 "[ . 1 . 2]" 1
290 2 14 VAL MG1 2 81 PHE QD 2.400 . 6.200 2.129 1.826 2.580 . 0 0 "[ . 1 . 2]" 1
291 2 14 VAL MG1 2 81 PHE QE 2.400 . 6.200 1.875 1.773 2.141 0.027 7 0 "[ . 1 . 2]" 1
292 2 14 VAL MG1 2 81 PHE HZ 3.400 . 6.500 4.034 3.762 4.331 . 0 0 "[ . 1 . 2]" 1
293 2 14 VAL MG1 2 90 GLU HA 3.400 . 6.500 3.941 3.632 4.197 . 0 0 "[ . 1 . 2]" 1
294 2 14 VAL MG1 2 90 GLU HB2 2.900 . 4.800 2.761 2.515 2.934 . 0 0 "[ . 1 . 2]" 1
295 2 14 VAL MG1 2 90 GLU QG 2.900 . 5.800 2.934 2.561 3.240 . 0 0 "[ . 1 . 2]" 1
296 2 12 LEU HB3 2 14 VAL MG2 3.400 . 6.500 3.737 3.467 4.011 . 0 0 "[ . 1 . 2]" 1
297 2 12 LEU HG 2 14 VAL MG2 2.900 . 4.800 2.719 2.522 3.026 . 0 0 "[ . 1 . 2]" 1
298 2 14 VAL MG2 2 26 LEU MD1 3.400 . 8.000 4.844 4.210 5.255 . 0 0 "[ . 1 . 2]" 1
299 2 14 VAL MG2 2 81 PHE QD 3.400 . 8.500 3.979 3.604 4.593 . 0 0 "[ . 1 . 2]" 1
300 2 14 VAL MG2 2 81 PHE QE 2.900 . 6.800 2.506 2.138 3.032 . 0 0 "[ . 1 . 2]" 1
301 2 14 VAL MG2 2 81 PHE HZ 3.900 . 7.500 4.079 3.863 4.347 . 0 0 "[ . 1 . 2]" 1
302 2 14 VAL MG2 2 90 GLU HA 3.400 . 6.500 3.669 3.212 4.404 . 0 0 "[ . 1 . 2]" 1
303 2 14 VAL MG2 2 90 GLU HB2 3.900 . 7.500 4.057 3.619 4.713 . 0 0 "[ . 1 . 2]" 1
304 2 14 VAL MG2 2 90 GLU QG 3.400 . 7.500 3.422 2.731 4.156 . 0 0 "[ . 1 . 2]" 1
305 2 14 VAL MG2 2 94 VAL HA 3.900 . 7.500 4.303 4.138 4.488 . 0 0 "[ . 1 . 2]" 1
306 2 15 LYS HA 2 17 VAL MG2 3.900 . 7.500 3.546 3.460 3.689 . 0 0 "[ . 1 . 2]" 1
307 2 15 LYS HA 2 25 ALA HA 2.900 . 3.300 2.964 2.403 3.180 . 0 0 "[ . 1 . 2]" 1
308 2 15 LYS HA 2 25 ALA MB 2.400 . 4.200 2.477 2.195 2.790 . 0 0 "[ . 1 . 2]" 1
309 2 15 LYS HB3 2 25 ALA HA 3.900 . 6.000 5.200 4.436 5.450 . 0 0 "[ . 1 . 2]" 1
310 2 15 LYS HB2 2 25 ALA HA 3.900 . 6.000 5.858 5.338 6.063 0.063 14 0 "[ . 1 . 2]" 1
311 2 15 LYS QD 2 25 ALA HA 3.900 . 7.000 4.213 3.455 6.430 . 0 0 "[ . 1 . 2]" 1
312 2 15 LYS QG 2 25 ALA HA 3.900 . 7.000 5.203 4.449 5.532 . 0 0 "[ . 1 . 2]" 1
313 2 16 LYS HB3 2 83 ASN HA 3.900 . 6.000 2.741 2.482 3.149 . 0 0 "[ . 1 . 2]" 1
314 2 16 LYS HB2 2 83 ASN HA 3.900 . 6.000 2.944 2.474 3.544 . 0 0 "[ . 1 . 2]" 1
315 2 16 LYS HA 2 17 VAL HA 3.900 . 6.000 4.395 4.359 4.431 . 0 0 "[ . 1 . 2]" 1
316 2 17 VAL HA 2 18 ARG HA 3.900 . 6.000 4.373 4.351 4.403 . 0 0 "[ . 1 . 2]" 1
317 2 17 VAL HA 2 18 ARG HB2 3.900 . 6.000 4.426 4.176 4.950 . 0 0 "[ . 1 . 2]" 1
318 2 17 VAL HA 2 81 PHE HA 2.400 . 2.700 2.653 2.518 2.759 0.059 12 0 "[ . 1 . 2]" 1
319 2 17 VAL HA 2 81 PHE QD 3.900 . 8.000 4.810 4.669 4.898 . 0 0 "[ . 1 . 2]" 1
320 2 17 VAL HA 2 81 PHE QE 3.900 . 8.000 6.033 5.892 6.190 . 0 0 "[ . 1 . 2]" 1
321 2 17 VAL HB 2 25 ALA HA 3.400 . 5.000 2.768 2.391 3.364 . 0 0 "[ . 1 . 2]" 1
322 2 17 VAL HB 2 26 LEU MD1 3.400 . 6.500 4.333 4.142 4.528 . 0 0 "[ . 1 . 2]" 1
323 2 17 VAL HB 2 35 TRP HD1 3.400 . 5.000 2.760 2.615 3.010 . 0 0 "[ . 1 . 2]" 1
324 2 17 VAL MG1 2 18 ARG HA 3.900 . 7.500 3.862 3.666 4.046 . 0 0 "[ . 1 . 2]" 1
325 2 17 VAL MG1 2 35 TRP HD1 2.900 . 4.800 2.622 2.485 2.822 . 0 0 "[ . 1 . 2]" 1
326 2 17 VAL MG1 2 79 PHE HA 3.400 . 6.500 3.003 2.758 3.230 . 0 0 "[ . 1 . 2]" 1
327 2 17 VAL MG1 2 79 PHE HB3 2.400 . 4.200 2.197 1.969 2.367 . 0 0 "[ . 1 . 2]" 1
328 2 17 VAL MG1 2 79 PHE HB2 2.900 . 4.800 3.616 3.405 3.797 . 0 0 "[ . 1 . 2]" 1
329 2 17 VAL MG1 2 79 PHE QD 2.400 . 6.200 2.691 2.398 2.789 . 0 0 "[ . 1 . 2]" 1
330 2 17 VAL MG1 2 81 PHE HA 2.900 . 4.800 3.121 2.890 3.275 . 0 0 "[ . 1 . 2]" 1
331 2 17 VAL MG1 2 81 PHE HB3 3.900 . 7.500 5.047 4.852 5.200 . 0 0 "[ . 1 . 2]" 1
332 2 17 VAL MG1 2 81 PHE HB2 3.900 . 7.500 5.260 5.077 5.357 . 0 0 "[ . 1 . 2]" 1
333 2 17 VAL MG1 2 81 PHE QE 3.400 . 8.500 4.210 4.051 4.354 . 0 0 "[ . 1 . 2]" 1
334 2 17 VAL MG2 2 25 ALA HA 3.400 . 6.500 2.892 2.585 3.247 . 0 0 "[ . 1 . 2]" 1
335 2 17 VAL MG2 2 26 LEU HB3 2.400 . 4.200 2.528 2.334 2.811 . 0 0 "[ . 1 . 2]" 1
336 2 17 VAL MG2 2 26 LEU HB2 2.900 . 4.800 2.399 2.150 2.735 . 0 0 "[ . 1 . 2]" 1
337 2 17 VAL MG2 2 81 PHE HA 2.400 . 4.200 2.465 2.208 2.737 . 0 0 "[ . 1 . 2]" 1
338 2 17 VAL MG2 2 81 PHE HB3 3.400 . 6.500 3.900 3.692 4.120 . 0 0 "[ . 1 . 2]" 1
339 2 17 VAL MG2 2 81 PHE HB2 3.900 . 7.500 4.793 4.532 5.040 . 0 0 "[ . 1 . 2]" 1
340 2 17 VAL MG2 2 81 PHE QD 3.400 . 8.500 2.844 2.699 2.996 . 0 0 "[ . 1 . 2]" 1
341 2 17 VAL MG2 2 81 PHE QE 3.400 . 8.500 3.448 3.266 3.624 . 0 0 "[ . 1 . 2]" 1
342 2 18 ARG HA 2 19 GLN HA 3.900 . 6.000 4.387 4.367 4.429 . 0 0 "[ . 1 . 2]" 1
343 2 18 ARG HA 2 23 ASP HA 2.900 . 3.300 2.412 1.967 3.144 . 0 0 "[ . 1 . 2]" 1
344 2 18 ARG HA 2 23 ASP QB 3.900 . 7.000 4.508 3.967 5.088 . 0 0 "[ . 1 . 2]" 1
345 2 18 ARG HA 2 35 TRP HH2 3.900 . 6.000 4.923 4.623 5.197 . 0 0 "[ . 1 . 2]" 1
346 2 18 ARG HA 2 35 TRP HZ2 3.400 . 5.000 3.007 2.691 3.344 . 0 0 "[ . 1 . 2]" 1
347 2 18 ARG QD 2 21 LYS HA 3.400 . 6.000 3.755 2.535 5.132 . 0 0 "[ . 1 . 2]" 1
348 2 18 ARG QD 2 23 ASP HA 3.900 . 7.000 3.926 3.118 4.669 . 0 0 "[ . 1 . 2]" 1
349 2 18 ARG QD 2 80 HIS HE1 3.400 . 6.000 3.673 2.110 5.337 . 0 0 "[ . 1 . 2]" 1
350 2 18 ARG QD 2 82 SER HA 3.900 . 7.000 4.902 3.778 6.327 . 0 0 "[ . 1 . 2]" 1
351 2 18 ARG QD 2 82 SER HB3 3.400 . 6.000 2.824 1.718 4.326 0.082 13 0 "[ . 1 . 2]" 1
352 2 18 ARG QD 2 82 SER HB2 3.400 . 6.000 3.597 2.893 4.844 . 0 0 "[ . 1 . 2]" 1
353 2 18 ARG QG 2 23 ASP HA 3.400 . 6.000 2.071 1.628 2.610 0.172 19 0 "[ . 1 . 2]" 1
354 2 19 GLN HA 2 79 PHE HA 3.400 . 5.000 3.367 3.088 3.495 . 0 0 "[ . 1 . 2]" 1
355 2 19 GLN HA 2 79 PHE QD 3.400 . 7.000 3.992 3.773 4.170 . 0 0 "[ . 1 . 2]" 1
356 2 19 GLN QB 2 35 TRP HH2 3.900 . 7.000 3.404 3.007 3.832 . 0 0 "[ . 1 . 2]" 1
357 2 19 GLN QB 2 35 TRP HZ2 3.900 . 7.000 3.367 3.145 3.675 . 0 0 "[ . 1 . 2]" 1
358 2 19 GLN QB 2 45 ILE MD 3.900 . 8.500 4.201 3.821 4.377 . 0 0 "[ . 1 . 2]" 1
359 2 19 GLN QB 2 79 PHE HA 3.900 . 7.000 4.043 3.430 4.485 . 0 0 "[ . 1 . 2]" 1
360 2 19 GLN QB 2 79 PHE QD 3.400 . 8.000 3.144 2.643 3.572 . 0 0 "[ . 1 . 2]" 1
361 2 19 GLN QG 2 45 ILE MD 3.400 . 7.500 3.275 2.649 3.568 . 0 0 "[ . 1 . 2]" 1
362 2 19 GLN QG 2 79 PHE HA 3.900 . 7.000 3.423 2.957 5.326 . 0 0 "[ . 1 . 2]" 1
363 2 19 GLN QG 2 79 PHE QE 3.400 . 8.000 2.593 2.253 3.746 . 0 0 "[ . 1 . 2]" 1
364 2 19 GLN QG 2 79 PHE HZ 3.400 . 6.000 4.259 4.020 5.146 . 0 0 "[ . 1 . 2]" 1
365 2 22 GLN HA 2 35 TRP HH2 3.400 . 5.000 4.231 3.941 4.527 . 0 0 "[ . 1 . 2]" 1
366 2 22 GLN QB 2 35 TRP HH2 2.400 . 3.700 1.828 1.622 2.057 0.178 12 0 "[ . 1 . 2]" 1
367 2 22 GLN QB 2 35 TRP HZ2 3.400 . 6.000 3.166 2.880 3.374 . 0 0 "[ . 1 . 2]" 1
368 2 22 GLN QB 2 37 PRO HA 3.900 . 7.000 4.532 4.071 5.018 . 0 0 "[ . 1 . 2]" 1
369 2 22 GLN QG 2 35 TRP HH2 3.400 . 6.000 3.665 3.059 3.916 . 0 0 "[ . 1 . 2]" 1
370 2 22 GLN QG 2 35 TRP HZ2 3.900 . 7.000 5.195 4.748 5.450 . 0 0 "[ . 1 . 2]" 1
371 2 18 ARG HB2 2 23 ASP HA 3.900 . 6.000 4.466 4.227 5.014 . 0 0 "[ . 1 . 2]" 1
372 2 23 ASP HA 2 35 TRP HZ2 3.400 . 5.000 3.316 3.069 3.841 . 0 0 "[ . 1 . 2]" 1
373 2 23 ASP QB 2 24 GLY QA 3.900 . 8.000 3.832 3.620 4.236 . 0 0 "[ . 1 . 2]" 1
374 2 23 ASP QB 2 35 TRP HZ2 3.900 . 7.000 4.739 4.518 5.136 . 0 0 "[ . 1 . 2]" 1
375 2 23 ASP QB 2 38 GLU QB 3.400 . 7.000 3.466 2.978 4.217 . 0 0 "[ . 1 . 2]" 1
376 2 23 ASP QB 2 38 GLU QG 3.400 . 7.000 4.276 2.107 5.475 . 0 0 "[ . 1 . 2]" 1
377 2 24 GLY QA 2 25 ALA HA 3.900 . 7.000 3.962 3.939 3.988 . 0 0 "[ . 1 . 2]" 1
378 2 24 GLY QA 2 25 ALA MB 3.900 . 8.500 3.599 3.568 3.641 . 0 0 "[ . 1 . 2]" 1
379 2 24 GLY QA 2 35 TRP HH2 3.900 . 7.000 4.079 3.785 4.330 . 0 0 "[ . 1 . 2]" 1
380 2 24 GLY QA 2 35 TRP HZ2 3.400 . 6.000 2.664 2.398 2.871 . 0 0 "[ . 1 . 2]" 1
381 2 24 GLY QA 2 37 PRO QB 3.900 . 8.000 3.564 3.287 3.877 . 0 0 "[ . 1 . 2]" 1
382 2 24 GLY QA 2 38 GLU QB 3.400 . 7.000 2.532 2.059 3.136 . 0 0 "[ . 1 . 2]" 1
383 2 24 GLY QA 2 38 GLU QG 3.900 . 8.000 3.590 1.850 4.623 . 0 0 "[ . 1 . 2]" 1
384 2 25 ALA HA 2 26 LEU HB3 3.400 . 5.000 4.684 4.579 4.746 . 0 0 "[ . 1 . 2]" 1
385 2 25 ALA HA 2 26 LEU HB2 3.900 . 6.000 4.298 4.242 4.381 . 0 0 "[ . 1 . 2]" 1
386 2 13 ILE MG 2 25 ALA MB 2.400 . 5.700 3.609 3.315 3.781 . 0 0 "[ . 1 . 2]" 1
387 2 15 LYS QE 2 25 ALA MB 3.400 . 7.500 3.673 2.872 5.322 . 0 0 "[ . 1 . 2]" 1
388 2 17 VAL MG2 2 25 ALA MB 3.400 . 8.000 3.944 3.652 4.336 . 0 0 "[ . 1 . 2]" 1
389 2 25 ALA MB 2 27 TYR QD 2.900 . 6.800 3.740 3.065 3.910 . 0 0 "[ . 1 . 2]" 1
390 2 25 ALA MB 2 27 TYR QE 2.400 . 6.200 2.412 1.806 2.804 . 0 0 "[ . 1 . 2]" 1
391 2 17 VAL MG2 2 26 LEU HA 3.900 . 7.500 4.207 3.873 4.565 . 0 0 "[ . 1 . 2]" 1
392 2 25 ALA HA 2 26 LEU HA 3.900 . 6.000 4.367 4.351 4.402 . 0 0 "[ . 1 . 2]" 1
393 2 26 LEU HA 2 27 TYR HB2 3.900 . 6.000 4.585 4.413 4.740 . 0 0 "[ . 1 . 2]" 1
394 2 26 LEU HA 2 27 TYR QD 3.400 . 7.000 3.620 3.155 3.894 . 0 0 "[ . 1 . 2]" 1
395 2 26 LEU HA 2 35 TRP HA 3.400 . 5.000 2.338 2.223 2.455 . 0 0 "[ . 1 . 2]" 1
396 2 26 LEU HA 2 35 TRP HB3 3.900 . 6.000 4.741 4.676 4.867 . 0 0 "[ . 1 . 2]" 1
397 2 26 LEU HA 2 35 TRP HB2 3.900 . 6.000 3.354 3.251 3.570 . 0 0 "[ . 1 . 2]" 1
398 2 26 LEU HA 2 35 TRP HD1 3.400 . 5.000 2.754 2.545 2.947 . 0 0 "[ . 1 . 2]" 1
399 2 26 LEU HA 2 79 PHE QE 3.900 . 8.000 5.477 5.258 5.591 . 0 0 "[ . 1 . 2]" 1
400 2 14 VAL MG1 2 26 LEU HB3 3.900 . 7.500 3.174 2.911 3.449 . 0 0 "[ . 1 . 2]" 1
401 2 26 LEU HB3 2 35 TRP HD1 3.900 . 6.000 4.044 3.799 4.157 . 0 0 "[ . 1 . 2]" 1
402 2 17 VAL HB 2 26 LEU HB2 3.900 . 6.000 3.045 2.921 3.234 . 0 0 "[ . 1 . 2]" 1
403 2 17 VAL MG1 2 26 LEU HB2 2.900 . 4.800 2.257 1.982 2.644 . 0 0 "[ . 1 . 2]" 1
404 2 26 LEU HB2 2 27 TYR QD 3.900 . 8.000 5.872 5.273 6.068 . 0 0 "[ . 1 . 2]" 1
405 2 26 LEU HB2 2 35 TRP HD1 3.400 . 5.000 2.408 2.179 2.523 . 0 0 "[ . 1 . 2]" 1
406 2 26 LEU MD1 2 33 ILE HA 3.900 . 7.500 4.748 4.589 4.878 . 0 0 "[ . 1 . 2]" 1
407 2 26 LEU MD1 2 35 TRP HA 3.900 . 7.500 2.647 2.429 2.770 . 0 0 "[ . 1 . 2]" 1
408 2 26 LEU MD1 2 35 TRP HB3 3.900 . 7.500 3.356 3.302 3.386 . 0 0 "[ . 1 . 2]" 1
409 2 26 LEU MD1 2 35 TRP HB2 3.900 . 7.500 1.879 1.823 1.962 . 0 0 "[ . 1 . 2]" 1
410 2 26 LEU MD1 2 35 TRP HD1 3.400 . 6.500 2.569 2.304 2.673 . 0 0 "[ . 1 . 2]" 1
411 2 26 LEU MD1 2 79 PHE HZ 3.900 . 7.500 3.353 3.269 3.517 . 0 0 "[ . 1 . 2]" 1
412 2 14 VAL HA 2 26 LEU MD2 3.900 . 7.500 5.667 5.182 5.962 . 0 0 "[ . 1 . 2]" 1
413 2 26 LEU MD2 2 33 ILE HA 3.900 . 7.500 5.335 5.180 5.462 . 0 0 "[ . 1 . 2]" 1
414 2 26 LEU MD2 2 35 TRP HA 3.900 . 7.500 5.272 5.080 5.375 . 0 0 "[ . 1 . 2]" 1
415 2 26 LEU MD2 2 35 TRP HB2 3.900 . 7.500 4.498 4.362 4.557 . 0 0 "[ . 1 . 2]" 1
416 2 26 LEU MD2 2 35 TRP HD1 3.400 . 6.500 4.268 4.092 4.361 . 0 0 "[ . 1 . 2]" 1
417 2 26 LEU MD2 2 79 PHE HB3 3.900 . 7.500 3.079 2.904 3.370 . 0 0 "[ . 1 . 2]" 1
418 2 26 LEU MD2 2 79 PHE HB2 3.900 . 7.500 3.530 3.275 3.894 . 0 0 "[ . 1 . 2]" 1
419 2 26 LEU MD2 2 79 PHE QD 3.400 . 8.500 3.435 3.311 3.751 . 0 0 "[ . 1 . 2]" 1
420 2 26 LEU MD2 2 81 PHE QD 3.900 . 9.500 4.703 4.508 5.016 . 0 0 "[ . 1 . 2]" 1
421 2 26 LEU MD2 2 81 PHE QE 3.400 . 8.500 3.238 2.945 3.655 . 0 0 "[ . 1 . 2]" 1
422 2 26 LEU MD2 2 81 PHE HZ 2.900 . 4.800 3.175 2.820 3.484 . 0 0 "[ . 1 . 2]" 1
423 2 26 LEU MD2 2 94 VAL HA 3.900 . 7.500 4.569 4.477 4.696 . 0 0 "[ . 1 . 2]" 1
424 2 26 LEU MD2 2 94 VAL MG2 2.400 . 5.700 2.045 1.763 2.247 0.037 8 0 "[ . 1 . 2]" 1
425 2 26 LEU HG 2 35 TRP HA 3.900 . 6.000 4.422 4.246 4.585 . 0 0 "[ . 1 . 2]" 1
426 2 26 LEU HG 2 35 TRP HB3 3.900 . 6.000 6.038 6.015 6.071 0.071 13 0 "[ . 1 . 2]" 1
427 2 26 LEU HG 2 35 TRP HD1 3.900 . 6.000 4.558 4.463 4.649 . 0 0 "[ . 1 . 2]" 1
428 2 27 TYR HA 2 28 LEU QB 3.400 . 6.000 4.423 4.380 4.450 . 0 0 "[ . 1 . 2]" 1
429 2 27 TYR HB3 2 29 MET ME 3.900 . 7.500 3.204 2.331 3.442 . 0 0 "[ . 1 . 2]" 1
430 2 27 TYR HB3 2 43 PHE QE 3.900 . 8.000 3.993 3.552 4.361 . 0 0 "[ . 1 . 2]" 1
431 2 27 TYR HB3 2 43 PHE HZ 3.900 . 6.000 4.804 3.937 5.296 . 0 0 "[ . 1 . 2]" 1
432 2 10 VAL MG1 2 27 TYR HB2 3.900 . 7.500 3.364 3.081 3.863 . 0 0 "[ . 1 . 2]" 1
433 2 10 VAL MG2 2 27 TYR HB2 3.900 . 7.500 3.923 3.642 4.278 . 0 0 "[ . 1 . 2]" 1
434 2 27 TYR HB2 2 29 MET ME 3.400 . 6.500 3.079 1.807 3.704 . 0 0 "[ . 1 . 2]" 1
435 2 27 TYR HB2 2 34 ALA MB 3.900 . 7.500 3.254 3.009 3.429 . 0 0 "[ . 1 . 2]" 1
436 2 27 TYR HB2 2 35 TRP HA 3.900 . 6.000 4.763 4.583 5.044 . 0 0 "[ . 1 . 2]" 1
437 2 27 TYR HB2 2 43 PHE QE 3.900 . 8.000 2.971 2.419 3.602 . 0 0 "[ . 1 . 2]" 1
438 2 27 TYR HB2 2 43 PHE HZ 3.900 . 6.000 4.316 3.479 4.737 . 0 0 "[ . 1 . 2]" 1
439 2 27 TYR QD 2 29 MET ME 3.900 . 9.500 4.205 3.084 4.450 . 0 0 "[ . 1 . 2]" 1
440 2 27 TYR QD 2 35 TRP HA 3.900 . 8.000 3.481 3.259 3.822 . 0 0 "[ . 1 . 2]" 1
441 2 27 TYR QD 2 43 PHE QE 3.900 . 10.000 2.281 1.730 2.879 0.070 19 0 "[ . 1 . 2]" 1
442 2 25 ALA HA 2 27 TYR QE 3.900 . 8.000 4.922 4.334 5.165 . 0 0 "[ . 1 . 2]" 1
443 2 27 TYR QE 2 35 TRP HA 3.900 . 8.000 4.696 4.332 5.446 . 0 0 "[ . 1 . 2]" 1
444 2 27 TYR QE 2 36 ALA MB 2.900 . 6.800 2.513 1.847 4.085 . 0 0 "[ . 1 . 2]" 1
445 2 27 TYR QE 2 43 PHE QE 3.400 . 9.000 3.311 2.896 3.695 . 0 0 "[ . 1 . 2]" 1
446 2 28 LEU HA 2 29 MET HA 3.900 . 6.000 4.366 4.349 4.382 . 0 0 "[ . 1 . 2]" 1
447 2 28 LEU HA 2 33 ILE HA 3.400 . 5.000 2.517 2.390 2.664 . 0 0 "[ . 1 . 2]" 1
448 2 28 LEU HA 2 49 TYR QE 3.900 . 8.000 4.606 4.293 4.768 . 0 0 "[ . 1 . 2]" 1
449 2 11 LEU HA 2 28 LEU QB 3.900 . 7.000 5.229 5.070 5.470 . 0 0 "[ . 1 . 2]" 1
450 2 28 LEU QB 2 29 MET HA 3.900 . 7.000 4.200 4.110 4.304 . 0 0 "[ . 1 . 2]" 1
451 2 28 LEU QB 2 33 ILE HA 3.900 . 7.000 4.337 4.122 4.546 . 0 0 "[ . 1 . 2]" 1
452 2 28 LEU QB 2 94 VAL HA 3.900 . 7.000 4.619 4.372 4.826 . 0 0 "[ . 1 . 2]" 1
453 2 12 LEU HA 2 28 LEU MD1 3.900 . 7.500 4.984 4.800 5.160 . 0 0 "[ . 1 . 2]" 1
454 2 26 LEU MD1 2 28 LEU MD1 3.400 . 8.000 5.391 5.195 5.473 . 0 0 "[ . 1 . 2]" 1
455 2 27 TYR HA 2 28 LEU MD1 3.900 . 7.500 5.681 5.480 5.748 . 0 0 "[ . 1 . 2]" 1
456 2 28 LEU MD1 2 33 ILE HA 3.900 . 7.500 4.980 4.737 5.180 . 0 0 "[ . 1 . 2]" 1
457 2 28 LEU MD1 2 49 TYR QE 3.400 . 8.500 3.855 3.315 4.197 . 0 0 "[ . 1 . 2]" 1
458 2 28 LEU MD1 2 94 VAL HA 2.900 . 4.800 1.918 1.656 2.178 0.144 8 0 "[ . 1 . 2]" 1
459 2 28 LEU MD1 2 97 LEU HA 3.400 . 6.500 4.640 4.484 4.791 . 0 0 "[ . 1 . 2]" 1
460 2 28 LEU MD1 2 97 LEU QB 2.400 . 5.200 2.197 1.997 2.347 . 0 0 "[ . 1 . 2]" 1
461 2 28 LEU MD1 2 97 LEU QD 2.400 . 8.100 1.935 1.532 3.376 0.268 11 0 "[ . 1 . 2]" 1
462 2 28 LEU MD1 2 98 LEU HA 3.400 . 6.500 3.822 3.650 4.087 . 0 0 "[ . 1 . 2]" 1
463 2 28 LEU MD1 2 98 LEU MD1 2.400 . 5.700 3.727 3.521 3.825 . 0 0 "[ . 1 . 2]" 1
464 2 28 LEU MD1 2 101 LEU MD1 2.400 . 5.700 3.051 2.766 3.371 . 0 0 "[ . 1 . 2]" 1
465 2 12 LEU HB3 2 28 LEU MD2 2.400 . 4.200 3.645 3.619 3.675 . 0 0 "[ . 1 . 2]" 1
466 2 26 LEU MD1 2 28 LEU MD2 2.900 . 6.300 3.409 3.223 3.507 . 0 0 "[ . 1 . 2]" 1
467 2 26 LEU MD2 2 28 LEU MD2 2.400 . 5.700 2.386 2.159 2.493 . 0 0 "[ . 1 . 2]" 1
468 2 27 TYR HA 2 28 LEU MD2 3.400 . 6.500 4.009 3.783 4.158 . 0 0 "[ . 1 . 2]" 1
469 2 28 LEU MD2 2 33 ILE HA 3.400 . 6.500 2.939 2.708 3.137 . 0 0 "[ . 1 . 2]" 1
470 2 28 LEU MD2 2 49 TYR QE 3.400 . 8.500 3.365 2.924 3.571 . 0 0 "[ . 1 . 2]" 1
471 2 28 LEU MD2 2 94 VAL HA 3.400 . 6.500 3.744 3.603 3.868 . 0 0 "[ . 1 . 2]" 1
472 2 28 LEU MD2 2 98 LEU MD2 2.400 . 5.700 3.242 2.952 3.627 . 0 0 "[ . 1 . 2]" 1
473 2 12 LEU MD2 2 28 LEU HG 3.400 . 6.500 2.116 2.033 2.267 . 0 0 "[ . 1 . 2]" 1
474 2 26 LEU MD1 2 28 LEU HG 3.900 . 7.500 5.402 5.226 5.555 . 0 0 "[ . 1 . 2]" 1
475 2 28 LEU HG 2 49 TYR QE 3.400 . 7.000 6.049 5.545 6.303 . 0 0 "[ . 1 . 2]" 1
476 2 28 LEU HG 2 94 VAL HA 3.900 . 6.000 3.607 3.409 3.819 . 0 0 "[ . 1 . 2]" 1
477 2 10 VAL MG2 2 29 MET HB3 3.900 . 7.500 4.052 3.810 4.353 . 0 0 "[ . 1 . 2]" 1
478 2 28 LEU HA 2 29 MET HB3 3.900 . 6.000 5.526 5.484 5.698 . 0 0 "[ . 1 . 2]" 1
479 2 28 LEU HA 2 29 MET HB2 3.900 . 6.000 4.966 4.674 5.008 . 0 0 "[ . 1 . 2]" 1
480 2 10 VAL HA 2 29 MET ME 2.400 . 4.200 3.324 3.124 3.493 . 0 0 "[ . 1 . 2]" 1
481 2 10 VAL MG1 2 29 MET ME 2.900 . 6.300 3.236 2.531 3.451 . 0 0 "[ . 1 . 2]" 1
482 2 10 VAL MG2 2 29 MET ME 2.400 . 5.700 2.037 1.798 2.360 0.002 6 0 "[ . 1 . 2]" 1
483 2 27 TYR HA 2 29 MET ME 3.400 . 6.500 5.150 4.019 5.424 . 0 0 "[ . 1 . 2]" 1
484 2 27 TYR QE 2 29 MET ME 3.400 . 8.500 5.631 4.722 5.850 . 0 0 "[ . 1 . 2]" 1
485 2 28 LEU HA 2 29 MET ME 3.400 . 6.500 5.287 4.221 5.544 . 0 0 "[ . 1 . 2]" 1
486 2 29 MET ME 2 32 ARG QG 2.400 . 5.200 4.002 3.845 4.055 . 0 0 "[ . 1 . 2]" 1
487 2 29 MET ME 2 33 ILE HA 3.400 . 6.500 5.352 4.555 5.474 . 0 0 "[ . 1 . 2]" 1
488 2 29 MET ME 2 34 ALA MB 2.400 . 5.700 3.121 1.946 3.560 . 0 0 "[ . 1 . 2]" 1
489 2 29 MET ME 2 43 PHE QD 2.900 . 6.800 4.138 3.413 4.815 . 0 0 "[ . 1 . 2]" 1
490 2 29 MET ME 2 43 PHE QE 2.400 . 6.200 3.016 2.453 3.621 . 0 0 "[ . 1 . 2]" 1
491 2 29 MET ME 2 43 PHE HZ 2.400 . 4.200 2.932 2.299 3.455 . 0 0 "[ . 1 . 2]" 1
492 2 10 VAL MG1 2 29 MET QG 3.900 . 8.500 3.419 3.092 4.182 . 0 0 "[ . 1 . 2]" 1
493 2 28 LEU HA 2 29 MET QG 3.900 . 7.000 3.370 3.264 4.503 . 0 0 "[ . 1 . 2]" 1
494 2 29 MET QG 2 32 ARG QG 3.900 . 8.000 2.466 2.063 3.570 . 0 0 "[ . 1 . 2]" 1
495 2 29 MET QG 2 34 ALA MB 3.900 . 8.500 3.138 2.898 4.150 . 0 0 "[ . 1 . 2]" 1
496 2 29 MET HA 2 30 ALA HA 3.900 . 6.000 4.258 4.236 4.273 . 0 0 "[ . 1 . 2]" 1
497 2 30 ALA HA 2 49 TYR QE 3.400 . 7.000 3.895 3.661 4.302 . 0 0 "[ . 1 . 2]" 1
498 2 9 GLU QB 2 30 ALA MB 2.400 . 5.200 2.672 1.724 3.719 0.076 16 0 "[ . 1 . 2]" 1
499 2 11 LEU MD1 2 30 ALA MB 2.400 . 5.700 2.906 2.449 3.316 . 0 0 "[ . 1 . 2]" 1
500 2 29 MET HA 2 30 ALA MB 3.900 . 7.500 4.158 4.080 4.260 . 0 0 "[ . 1 . 2]" 1
501 2 29 MET HB3 2 30 ALA MB 3.400 . 6.500 4.041 3.792 4.227 . 0 0 "[ . 1 . 2]" 1
502 2 30 ALA MB 2 31 GLU QG 2.400 . 5.200 2.645 2.419 3.329 . 0 0 "[ . 1 . 2]" 1
503 2 30 ALA MB 2 49 TYR QE 3.400 . 8.500 4.752 4.585 5.002 . 0 0 "[ . 1 . 2]" 1
504 2 30 ALA MB 2 105 PHE QE 3.400 . 8.500 4.592 3.912 5.427 . 0 0 "[ . 1 . 2]" 1
505 2 31 GLU HA 2 49 TYR QD 2.400 . 4.700 2.606 2.229 2.911 . 0 0 "[ . 1 . 2]" 1
506 2 31 GLU HA 2 105 PHE QE 2.900 . 5.300 3.162 2.136 3.963 . 0 0 "[ . 1 . 2]" 1
507 2 31 GLU HB3 2 49 TYR QD 3.900 . 8.000 4.389 3.867 4.752 . 0 0 "[ . 1 . 2]" 1
508 2 31 GLU HB3 2 105 PHE QE 3.400 . 7.000 3.762 2.780 5.243 . 0 0 "[ . 1 . 2]" 1
509 2 31 GLU HB2 2 49 TYR QD 3.900 . 8.000 5.178 4.814 5.438 . 0 0 "[ . 1 . 2]" 1
510 2 31 GLU HB2 2 105 PHE QE 3.400 . 7.000 4.885 4.221 5.761 . 0 0 "[ . 1 . 2]" 1
511 2 31 GLU QG 2 49 TYR QD 3.900 . 9.000 4.968 3.841 5.693 . 0 0 "[ . 1 . 2]" 1
512 2 31 GLU QG 2 105 PHE QE 2.900 . 6.300 3.364 2.126 4.410 . 0 0 "[ . 1 . 2]" 1
513 2 32 ARG HA 2 33 ILE HA 3.900 . 6.000 4.432 4.393 4.468 . 0 0 "[ . 1 . 2]" 1
514 2 32 ARG HA 2 48 MET HA 2.400 . 2.700 2.216 1.932 2.423 . 0 0 "[ . 1 . 2]" 1
515 2 32 ARG HA 2 49 TYR QE 3.400 . 7.000 3.769 3.590 4.003 . 0 0 "[ . 1 . 2]" 1
516 2 32 ARG HB2 2 48 MET HA 3.400 . 5.000 2.259 1.943 2.672 . 0 0 "[ . 1 . 2]" 1
517 2 32 ARG HB2 2 48 MET HB3 3.900 . 6.000 4.423 4.020 5.077 . 0 0 "[ . 1 . 2]" 1
518 2 32 ARG HB2 2 49 TYR QE 3.900 . 8.000 5.482 5.331 5.727 . 0 0 "[ . 1 . 2]" 1
519 2 32 ARG QD 2 34 ALA MB 3.900 . 8.500 3.457 2.551 5.026 . 0 0 "[ . 1 . 2]" 1
520 2 32 ARG QD 2 46 SER HA 3.900 . 7.000 4.419 3.219 6.269 . 0 0 "[ . 1 . 2]" 1
521 2 32 ARG QD 2 48 MET HA 3.900 . 7.000 4.111 3.775 5.028 . 0 0 "[ . 1 . 2]" 1
522 2 32 ARG QG 2 49 TYR QE 3.900 . 9.000 5.080 5.004 5.173 . 0 0 "[ . 1 . 2]" 1
523 2 33 ILE HA 2 34 ALA MB 3.900 . 7.500 3.943 3.909 3.969 . 0 0 "[ . 1 . 2]" 1
524 2 33 ILE HA 2 48 MET HA 3.900 . 6.000 6.039 5.944 6.108 0.108 16 0 "[ . 1 . 2]" 1
525 2 33 ILE HA 2 49 TYR QE 3.400 . 7.000 4.050 3.708 4.288 . 0 0 "[ . 1 . 2]" 1
526 2 26 LEU MD1 2 33 ILE HB 3.900 . 7.500 4.692 4.586 4.807 . 0 0 "[ . 1 . 2]" 1
527 2 28 LEU HA 2 33 ILE HB 3.900 . 6.000 3.509 3.336 3.703 . 0 0 "[ . 1 . 2]" 1
528 2 32 ARG HA 2 33 ILE HB 3.900 . 6.000 4.615 4.534 4.679 . 0 0 "[ . 1 . 2]" 1
529 2 33 ILE HB 2 49 TYR QE 2.400 . 4.700 2.333 1.892 2.617 . 0 0 "[ . 1 . 2]" 1
530 2 26 LEU MD1 2 33 ILE MD 2.400 . 5.700 2.079 1.988 2.184 . 0 0 "[ . 1 . 2]" 1
531 2 28 LEU HA 2 33 ILE MD 3.400 . 6.500 4.278 4.181 4.471 . 0 0 "[ . 1 . 2]" 1
532 2 26 LEU MD1 2 33 ILE QG 3.400 . 7.500 2.313 2.218 2.405 . 0 0 "[ . 1 . 2]" 1
533 2 28 LEU HA 2 33 ILE QG 3.900 . 7.000 3.227 3.113 3.415 . 0 0 "[ . 1 . 2]" 1
534 2 33 ILE QG 2 49 TYR QE 3.900 . 9.000 4.378 4.000 4.598 . 0 0 "[ . 1 . 2]" 1
535 2 26 LEU MD1 2 33 ILE MG 2.900 . 6.300 4.148 4.129 4.172 . 0 0 "[ . 1 . 2]" 1
536 2 28 LEU HA 2 33 ILE MG 3.900 . 7.500 4.828 4.708 4.953 . 0 0 "[ . 1 . 2]" 1
537 2 32 ARG HA 2 33 ILE MG 2.900 . 4.800 3.391 3.305 3.517 . 0 0 "[ . 1 . 2]" 1
538 2 33 ILE MG 2 34 ALA HA 3.900 . 7.500 4.179 4.036 4.308 . 0 0 "[ . 1 . 2]" 1
539 2 33 ILE MG 2 46 SER HA 3.900 . 7.500 4.517 4.342 4.749 . 0 0 "[ . 1 . 2]" 1
540 2 33 ILE MG 2 47 HIS HB3 2.900 . 4.800 3.202 2.967 3.406 . 0 0 "[ . 1 . 2]" 1
541 2 33 ILE MG 2 47 HIS HB2 2.400 . 4.200 2.111 2.046 2.221 . 0 0 "[ . 1 . 2]" 1
542 2 33 ILE MG 2 47 HIS HD2 2.900 . 4.800 3.743 3.589 3.846 . 0 0 "[ . 1 . 2]" 1
543 2 33 ILE MG 2 49 TYR HA 3.400 . 6.500 4.006 3.786 4.164 . 0 0 "[ . 1 . 2]" 1
544 2 33 ILE MG 2 49 TYR QE 2.400 . 6.200 2.736 2.437 3.037 . 0 0 "[ . 1 . 2]" 1
545 2 33 ILE MG 2 52 ILE QG 2.900 . 5.800 3.690 3.593 3.787 . 0 0 "[ . 1 . 2]" 1
546 2 33 ILE MG 2 77 THR HB 3.900 . 7.500 5.305 5.155 5.502 . 0 0 "[ . 1 . 2]" 1
547 2 33 ILE MG 2 98 LEU MD2 2.400 . 5.700 3.017 2.855 3.170 . 0 0 "[ . 1 . 2]" 1
548 2 27 TYR HB2 2 34 ALA HA 3.900 . 6.000 5.627 5.390 5.786 . 0 0 "[ . 1 . 2]" 1
549 2 33 ILE QG 2 34 ALA HA 3.900 . 7.000 3.489 3.449 3.576 . 0 0 "[ . 1 . 2]" 1
550 2 34 ALA HA 2 35 TRP HA 3.900 . 6.000 4.405 4.374 4.429 . 0 0 "[ . 1 . 2]" 1
551 2 34 ALA HA 2 35 TRP HB3 3.900 . 6.000 4.409 4.361 4.461 . 0 0 "[ . 1 . 2]" 1
552 2 34 ALA HA 2 45 ILE HB 3.900 . 6.000 3.907 3.701 4.027 . 0 0 "[ . 1 . 2]" 1
553 2 34 ALA HA 2 45 ILE MG 3.400 . 6.500 3.389 3.167 3.528 . 0 0 "[ . 1 . 2]" 1
554 2 34 ALA HA 2 46 SER HA 2.900 . 3.300 2.442 2.276 2.757 . 0 0 "[ . 1 . 2]" 1
555 2 34 ALA HA 2 46 SER HB3 3.900 . 6.000 5.328 5.111 5.726 . 0 0 "[ . 1 . 2]" 1
556 2 34 ALA HA 2 46 SER HB2 3.900 . 6.000 4.303 4.017 4.874 . 0 0 "[ . 1 . 2]" 1
557 2 27 TYR QD 2 34 ALA MB 3.900 . 9.500 3.950 3.727 4.605 . 0 0 "[ . 1 . 2]" 1
558 2 34 ALA MB 2 35 TRP HA 3.900 . 7.500 4.017 3.971 4.088 . 0 0 "[ . 1 . 2]" 1
559 2 34 ALA MB 2 43 PHE HB3 2.900 . 4.800 2.237 1.970 2.635 . 0 0 "[ . 1 . 2]" 1
560 2 34 ALA MB 2 43 PHE QD 3.400 . 8.500 2.749 1.805 3.162 . 0 0 "[ . 1 . 2]" 1
561 2 34 ALA MB 2 43 PHE QE 3.400 . 8.500 3.547 2.820 3.926 . 0 0 "[ . 1 . 2]" 1
562 2 34 ALA MB 2 45 ILE HB 3.900 . 7.500 4.589 4.462 4.677 . 0 0 "[ . 1 . 2]" 1
563 2 34 ALA MB 2 46 SER HA 2.900 . 4.800 2.741 2.576 2.881 . 0 0 "[ . 1 . 2]" 1
564 2 34 ALA MB 2 46 SER HB3 3.900 . 7.500 4.507 4.239 4.846 . 0 0 "[ . 1 . 2]" 1
565 2 34 ALA MB 2 46 SER HB2 3.400 . 6.500 3.314 3.019 3.941 . 0 0 "[ . 1 . 2]" 1
566 2 34 ALA MB 2 47 HIS HD2 3.900 . 7.500 6.285 6.257 6.327 . 0 0 "[ . 1 . 2]" 1
567 2 26 LEU HB2 2 35 TRP HA 3.900 . 6.000 4.331 4.100 4.471 . 0 0 "[ . 1 . 2]" 1
568 2 35 TRP HA 2 36 ALA MB 3.400 . 6.500 3.929 3.904 3.955 . 0 0 "[ . 1 . 2]" 1
569 2 35 TRP HA 2 43 PHE QD 3.900 . 8.000 3.655 3.063 4.248 . 0 0 "[ . 1 . 2]" 1
570 2 35 TRP HA 2 45 ILE HB 3.900 . 6.000 4.329 4.255 4.467 . 0 0 "[ . 1 . 2]" 1
571 2 35 TRP HA 2 45 ILE MG 3.900 . 7.500 5.161 5.058 5.377 . 0 0 "[ . 1 . 2]" 1
572 2 35 TRP HA 2 79 PHE QE 3.900 . 8.000 4.771 4.505 4.918 . 0 0 "[ . 1 . 2]" 1
573 2 35 TRP HB3 2 45 ILE HA 3.900 . 6.000 4.764 4.727 4.815 . 0 0 "[ . 1 . 2]" 1
574 2 35 TRP HB3 2 45 ILE HB 3.400 . 5.000 1.785 1.733 1.917 0.067 17 0 "[ . 1 . 2]" 1
575 2 35 TRP HB3 2 45 ILE QG 3.900 . 7.000 2.752 2.591 2.827 . 0 0 "[ . 1 . 2]" 1
576 2 35 TRP HB3 2 45 ILE MG 3.400 . 6.500 3.093 2.943 3.379 . 0 0 "[ . 1 . 2]" 1
577 2 35 TRP HB3 2 77 THR MG 3.900 . 7.500 4.798 4.601 5.061 . 0 0 "[ . 1 . 2]" 1
578 2 35 TRP HB3 2 79 PHE QE 3.900 . 8.000 2.491 2.400 2.572 . 0 0 "[ . 1 . 2]" 1
579 2 35 TRP HB2 2 45 ILE HB 3.400 . 5.000 3.229 3.182 3.279 . 0 0 "[ . 1 . 2]" 1
580 2 35 TRP HB2 2 45 ILE MG 3.400 . 6.500 3.724 3.622 3.886 . 0 0 "[ . 1 . 2]" 1
581 2 35 TRP HB2 2 77 THR MG 3.900 . 7.500 5.109 4.924 5.326 . 0 0 "[ . 1 . 2]" 1
582 2 35 TRP HB2 2 79 PHE QE 3.400 . 7.000 2.496 2.174 2.732 . 0 0 "[ . 1 . 2]" 1
583 2 35 TRP HD1 2 79 PHE QE 3.900 . 8.000 4.028 3.699 4.291 . 0 0 "[ . 1 . 2]" 1
584 2 35 TRP HD1 2 79 PHE HZ 3.900 . 6.000 5.800 5.641 6.009 0.009 8 0 "[ . 1 . 2]" 1
585 2 19 GLN QB 2 35 TRP HE3 3.900 . 7.000 3.773 3.403 4.011 . 0 0 "[ . 1 . 2]" 1
586 2 35 TRP HE3 2 36 ALA HA 3.900 . 6.000 3.689 3.238 3.999 . 0 0 "[ . 1 . 2]" 1
587 2 35 TRP HE3 2 37 PRO QD 3.900 . 7.000 3.625 3.279 3.822 . 0 0 "[ . 1 . 2]" 1
588 2 35 TRP HE3 2 37 PRO QG 3.900 . 7.000 4.671 3.989 5.668 . 0 0 "[ . 1 . 2]" 1
589 2 35 TRP HE3 2 44 THR HB 3.900 . 6.000 4.012 3.818 4.256 . 0 0 "[ . 1 . 2]" 1
590 2 35 TRP HE3 2 45 ILE HB 3.400 . 5.000 2.977 2.791 3.257 . 0 0 "[ . 1 . 2]" 1
591 2 35 TRP HE3 2 45 ILE MD 3.400 . 6.500 3.809 3.672 3.958 . 0 0 "[ . 1 . 2]" 1
592 2 35 TRP HE3 2 45 ILE QG 3.400 . 6.000 2.108 1.963 2.274 . 0 0 "[ . 1 . 2]" 1
593 2 35 TRP HE3 2 79 PHE QE 3.900 . 8.000 4.073 3.708 4.391 . 0 0 "[ . 1 . 2]" 1
594 2 35 TRP HH2 2 37 PRO HA 3.400 . 5.000 3.572 2.980 3.893 . 0 0 "[ . 1 . 2]" 1
595 2 35 TRP HH2 2 37 PRO QB 2.900 . 4.300 3.454 3.095 3.605 . 0 0 "[ . 1 . 2]" 1
596 2 35 TRP HH2 2 37 PRO QG 3.900 . 7.000 3.240 2.441 4.698 . 0 0 "[ . 1 . 2]" 1
597 2 35 TRP HH2 2 45 ILE QG 3.900 . 7.000 5.220 5.040 5.453 . 0 0 "[ . 1 . 2]" 1
598 2 17 VAL HB 2 35 TRP HZ2 3.900 . 6.000 5.061 4.739 5.385 . 0 0 "[ . 1 . 2]" 1
599 2 35 TRP HZ2 2 37 PRO QB 3.900 . 7.000 4.389 4.231 4.628 . 0 0 "[ . 1 . 2]" 1
600 2 35 TRP HZ2 2 37 PRO QG 3.900 . 7.000 4.798 3.981 5.898 . 0 0 "[ . 1 . 2]" 1
601 2 19 GLN QB 2 35 TRP HZ3 3.900 . 7.000 3.558 3.139 3.853 . 0 0 "[ . 1 . 2]" 1
602 2 22 GLN QB 2 35 TRP HZ3 3.900 . 7.000 3.538 3.243 3.821 . 0 0 "[ . 1 . 2]" 1
603 2 35 TRP HZ3 2 36 ALA HA 3.900 . 6.000 4.471 3.896 4.864 . 0 0 "[ . 1 . 2]" 1
604 2 35 TRP HZ3 2 37 PRO HA 3.900 . 6.000 4.738 4.135 5.060 . 0 0 "[ . 1 . 2]" 1
605 2 35 TRP HZ3 2 37 PRO QB 3.400 . 6.000 4.468 3.970 4.750 . 0 0 "[ . 1 . 2]" 1
606 2 35 TRP HZ3 2 37 PRO QD 3.400 . 6.000 3.187 2.844 3.610 . 0 0 "[ . 1 . 2]" 1
607 2 35 TRP HZ3 2 37 PRO QG 3.400 . 6.000 3.162 2.460 4.554 . 0 0 "[ . 1 . 2]" 1
608 2 35 TRP HZ3 2 44 THR HB 3.900 . 6.000 3.719 3.464 4.167 . 0 0 "[ . 1 . 2]" 1
609 2 35 TRP HZ3 2 44 THR MG 3.400 . 6.500 3.829 3.652 4.084 . 0 0 "[ . 1 . 2]" 1
610 2 35 TRP HZ3 2 45 ILE MD 3.900 . 7.500 4.397 4.160 4.648 . 0 0 "[ . 1 . 2]" 1
611 2 35 TRP HA 2 36 ALA HA 3.900 . 6.000 4.413 4.397 4.430 . 0 0 "[ . 1 . 2]" 1
612 2 36 ALA HA 2 37 PRO QB 3.900 . 7.000 4.695 4.640 4.765 . 0 0 "[ . 1 . 2]" 1
613 2 36 ALA HA 2 37 PRO QD 2.400 . 3.700 1.894 1.814 1.997 . 0 0 "[ . 1 . 2]" 1
614 2 36 ALA HA 2 37 PRO QG 3.400 . 6.000 3.799 3.729 3.895 . 0 0 "[ . 1 . 2]" 1
615 2 36 ALA HA 2 43 PHE HA 3.400 . 5.000 2.457 2.141 2.928 . 0 0 "[ . 1 . 2]" 1
616 2 36 ALA HA 2 43 PHE QD 3.900 . 8.000 3.925 3.487 4.276 . 0 0 "[ . 1 . 2]" 1
617 2 36 ALA HA 2 44 THR MG 3.400 . 6.500 4.266 3.942 4.746 . 0 0 "[ . 1 . 2]" 1
618 2 27 TYR QD 2 36 ALA MB 2.900 . 6.800 3.394 3.158 4.257 . 0 0 "[ . 1 . 2]" 1
619 2 35 TRP HE3 2 36 ALA MB 3.400 . 6.500 4.999 4.610 5.258 . 0 0 "[ . 1 . 2]" 1
620 2 36 ALA MB 2 37 PRO QB 3.400 . 7.500 4.530 4.398 4.693 . 0 0 "[ . 1 . 2]" 1
621 2 36 ALA MB 2 37 PRO QD 2.400 . 5.200 2.577 2.365 2.846 . 0 0 "[ . 1 . 2]" 1
622 2 36 ALA MB 2 41 ASP HA 3.400 . 6.500 4.269 3.330 5.439 . 0 0 "[ . 1 . 2]" 1
623 2 36 ALA MB 2 42 ARG HA 3.400 . 6.500 4.239 4.035 4.535 . 0 0 "[ . 1 . 2]" 1
624 2 36 ALA MB 2 43 PHE HA 2.400 . 4.200 1.888 1.596 2.499 0.204 17 0 "[ . 1 . 2]" 1
625 2 36 ALA MB 2 43 PHE HB3 3.400 . 6.500 3.127 2.656 3.661 . 0 0 "[ . 1 . 2]" 1
626 2 36 ALA MB 2 43 PHE QD 2.400 . 6.200 2.096 1.770 2.689 0.030 8 0 "[ . 1 . 2]" 1
627 2 36 ALA MB 2 43 PHE QE 2.900 . 6.800 3.259 2.936 3.475 . 0 0 "[ . 1 . 2]" 1
628 2 18 ARG HA 2 37 PRO HA 3.900 . 6.000 6.052 5.965 6.202 0.202 17 0 "[ . 1 . 2]" 1
629 2 25 ALA MB 2 37 PRO HA 3.900 . 7.500 5.252 4.873 5.583 . 0 0 "[ . 1 . 2]" 1
630 2 35 TRP HZ2 2 37 PRO HA 3.400 . 5.000 3.360 2.962 3.638 . 0 0 "[ . 1 . 2]" 1
631 2 36 ALA HA 2 37 PRO HA 3.900 . 6.000 4.438 4.424 4.472 . 0 0 "[ . 1 . 2]" 1
632 2 36 ALA MB 2 37 PRO HA 3.900 . 7.500 4.545 4.513 4.583 . 0 0 "[ . 1 . 2]" 1
633 2 37 PRO QD 2 40 LYS QG 3.900 . 8.000 3.515 2.127 4.994 . 0 0 "[ . 1 . 2]" 1
634 2 37 PRO QD 2 43 PHE HA 3.900 . 7.000 3.391 2.812 3.820 . 0 0 "[ . 1 . 2]" 1
635 2 37 PRO QD 2 44 THR MG 3.400 . 7.500 3.030 2.820 3.306 . 0 0 "[ . 1 . 2]" 1
636 2 36 ALA MB 2 37 PRO QG 3.900 . 8.500 4.168 3.604 4.493 . 0 0 "[ . 1 . 2]" 1
637 2 37 PRO QG 2 40 LYS QG 3.400 . 7.000 3.297 2.469 5.148 . 0 0 "[ . 1 . 2]" 1
638 2 37 PRO QG 2 44 THR MG 2.900 . 5.800 3.151 2.697 3.551 . 0 0 "[ . 1 . 2]" 1
639 2 25 ALA MB 2 38 GLU HA 3.900 . 7.500 3.842 3.239 4.480 . 0 0 "[ . 1 . 2]" 1
640 2 38 GLU QB 2 39 GLY QA 3.900 . 8.000 3.946 3.651 4.166 . 0 0 "[ . 1 . 2]" 1
641 2 39 GLY QA 2 40 LYS HA 3.900 . 7.000 3.996 3.976 4.016 . 0 0 "[ . 1 . 2]" 1
642 2 39 GLY QA 2 40 LYS QD 3.900 . 8.000 4.231 3.055 5.208 . 0 0 "[ . 1 . 2]" 1
643 2 39 GLY QA 2 40 LYS QG 3.900 . 8.000 4.576 3.247 5.797 . 0 0 "[ . 1 . 2]" 1
644 2 36 ALA HA 2 40 LYS QB 3.900 . 7.000 4.480 3.952 5.923 . 0 0 "[ . 1 . 2]" 1
645 2 37 PRO QD 2 40 LYS QB 3.400 . 7.000 2.699 2.004 4.502 . 0 0 "[ . 1 . 2]" 1
646 2 42 ARG HA 2 43 PHE QD 3.900 . 8.000 3.805 2.964 4.063 . 0 0 "[ . 1 . 2]" 1
647 2 42 ARG HA 2 43 PHE QE 3.900 . 8.000 4.633 4.354 5.079 . 0 0 "[ . 1 . 2]" 1
648 2 42 ARG QG 2 43 PHE QD 3.900 . 9.000 5.031 3.995 6.275 . 0 0 "[ . 1 . 2]" 1
649 2 36 ALA HA 2 43 PHE HB3 3.900 . 6.000 4.050 3.754 4.525 . 0 0 "[ . 1 . 2]" 1
650 2 34 ALA MB 2 43 PHE HB2 3.400 . 6.500 2.839 2.311 3.592 . 0 0 "[ . 1 . 2]" 1
651 2 36 ALA HA 2 43 PHE HB2 3.900 . 6.000 5.234 4.987 5.682 . 0 0 "[ . 1 . 2]" 1
652 2 36 ALA MB 2 43 PHE HB2 3.900 . 7.500 4.002 3.759 4.350 . 0 0 "[ . 1 . 2]" 1
653 2 43 PHE HB2 2 46 SER HB3 3.900 . 6.000 5.253 4.835 6.004 0.004 14 0 "[ . 1 . 2]" 1
654 2 36 ALA HA 2 43 PHE QE 3.900 . 8.000 5.767 5.178 6.168 . 0 0 "[ . 1 . 2]" 1
655 2 10 VAL MG2 2 43 PHE HZ 3.900 . 7.500 3.756 3.140 4.271 . 0 0 "[ . 1 . 2]" 1
656 2 27 TYR QD 2 43 PHE HZ 3.900 . 8.000 4.292 3.445 4.828 . 0 0 "[ . 1 . 2]" 1
657 2 27 TYR QE 2 43 PHE HZ 3.900 . 8.000 5.013 4.025 5.608 . 0 0 "[ . 1 . 2]" 1
658 2 34 ALA MB 2 43 PHE HZ 3.900 . 7.500 4.505 4.243 4.784 . 0 0 "[ . 1 . 2]" 1
659 2 36 ALA HA 2 44 THR HB 3.900 . 6.000 5.319 4.934 5.797 . 0 0 "[ . 1 . 2]" 1
660 2 37 PRO QD 2 44 THR HB 3.900 . 7.000 4.314 4.065 4.615 . 0 0 "[ . 1 . 2]" 1
661 2 37 PRO QG 2 44 THR HB 3.900 . 7.000 4.843 4.171 5.677 . 0 0 "[ . 1 . 2]" 1
662 2 44 THR HB 2 45 ILE HB 3.900 . 6.000 5.225 5.104 5.329 . 0 0 "[ . 1 . 2]" 1
663 2 44 THR HB 2 45 ILE MD 3.900 . 7.500 3.513 3.275 3.878 . 0 0 "[ . 1 . 2]" 1
664 2 44 THR HB 2 45 ILE QG 3.900 . 7.000 3.188 3.049 3.334 . 0 0 "[ . 1 . 2]" 1
665 2 35 TRP HE3 2 44 THR MG 3.900 . 7.500 4.643 4.481 4.762 . 0 0 "[ . 1 . 2]" 1
666 2 34 ALA HA 2 45 ILE HA 3.900 . 6.000 5.209 5.107 5.294 . 0 0 "[ . 1 . 2]" 1
667 2 45 ILE HA 2 46 SER HA 3.900 . 6.000 4.406 4.393 4.423 . 0 0 "[ . 1 . 2]" 1
668 2 26 LEU MD1 2 45 ILE HB 3.900 . 7.500 4.364 4.219 4.447 . 0 0 "[ . 1 . 2]" 1
669 2 35 TRP HD1 2 45 ILE HB 3.900 . 6.000 5.587 5.540 5.674 . 0 0 "[ . 1 . 2]" 1
670 2 35 TRP HZ3 2 45 ILE HB 3.900 . 6.000 5.289 5.101 5.562 . 0 0 "[ . 1 . 2]" 1
671 2 45 ILE HB 2 77 THR MG 3.900 . 7.500 4.260 4.109 4.529 . 0 0 "[ . 1 . 2]" 1
672 2 45 ILE HB 2 79 PHE HZ 3.400 . 5.000 3.538 3.159 3.988 . 0 0 "[ . 1 . 2]" 1
673 2 34 ALA HA 2 45 ILE MD 3.900 . 7.500 5.970 5.839 6.059 . 0 0 "[ . 1 . 2]" 1
674 2 35 TRP HB3 2 45 ILE MD 3.400 . 6.500 4.276 4.169 4.351 . 0 0 "[ . 1 . 2]" 1
675 2 35 TRP HB2 2 45 ILE MD 3.400 . 6.500 5.465 5.386 5.491 . 0 0 "[ . 1 . 2]" 1
676 2 45 ILE MD 2 46 SER HA 3.900 . 7.500 5.666 5.602 5.713 . 0 0 "[ . 1 . 2]" 1
677 2 45 ILE MD 2 47 HIS HD2 3.900 . 7.500 4.330 4.036 4.587 . 0 0 "[ . 1 . 2]" 1
678 2 45 ILE MD 2 47 HIS HE1 3.400 . 6.500 5.235 5.102 5.306 . 0 0 "[ . 1 . 2]" 1
679 2 45 ILE MD 2 77 THR HB 3.900 . 7.500 5.316 5.060 5.554 . 0 0 "[ . 1 . 2]" 1
680 2 45 ILE MD 2 77 THR MG 2.400 . 5.700 2.734 2.516 2.920 . 0 0 "[ . 1 . 2]" 1
681 2 45 ILE MD 2 79 PHE HZ 3.400 . 6.500 4.266 3.879 4.555 . 0 0 "[ . 1 . 2]" 1
682 2 35 TRP HA 2 45 ILE QG 3.900 . 7.000 5.329 5.158 5.433 . 0 0 "[ . 1 . 2]" 1
683 2 35 TRP HB2 2 45 ILE QG 3.900 . 7.000 4.077 3.897 4.172 . 0 0 "[ . 1 . 2]" 1
684 2 35 TRP HZ3 2 45 ILE QG 3.900 . 7.000 3.366 3.188 3.587 . 0 0 "[ . 1 . 2]" 1
685 2 45 ILE QG 2 77 THR MG 3.400 . 7.500 3.368 3.127 3.681 . 0 0 "[ . 1 . 2]" 1
686 2 45 ILE QG 2 79 PHE HZ 3.900 . 7.000 3.812 3.400 4.338 . 0 0 "[ . 1 . 2]" 1
687 2 19 GLN QG 2 45 ILE MG 3.400 . 7.500 3.605 3.319 3.984 . 0 0 "[ . 1 . 2]" 1
688 2 35 TRP HE3 2 45 ILE MG 3.400 . 6.500 4.254 4.093 4.492 . 0 0 "[ . 1 . 2]" 1
689 2 35 TRP HZ3 2 45 ILE MG 3.900 . 7.500 5.903 5.725 6.132 . 0 0 "[ . 1 . 2]" 1
690 2 45 ILE MG 2 46 SER HA 3.400 . 6.500 3.432 3.318 3.564 . 0 0 "[ . 1 . 2]" 1
691 2 45 ILE MG 2 47 HIS HD2 2.400 . 4.200 2.329 2.233 2.461 . 0 0 "[ . 1 . 2]" 1
692 2 45 ILE MG 2 77 THR HB 3.400 . 6.500 3.990 3.803 4.203 . 0 0 "[ . 1 . 2]" 1
693 2 45 ILE MG 2 77 THR MG 2.400 . 5.700 2.050 1.925 2.335 . 0 0 "[ . 1 . 2]" 1
694 2 45 ILE MG 2 79 PHE HZ 2.400 . 4.200 1.824 1.514 2.201 0.286 20 0 "[ . 1 . 2]" 1
695 2 43 PHE QD 2 46 SER HB3 3.900 . 8.000 6.321 5.939 7.357 . 0 0 "[ . 1 . 2]" 1
696 2 45 ILE MG 2 46 SER HB3 3.900 . 7.500 5.017 4.841 5.183 . 0 0 "[ . 1 . 2]" 1
697 2 43 PHE HB2 2 46 SER HB2 3.900 . 6.000 3.612 3.182 4.377 . 0 0 "[ . 1 . 2]" 1
698 2 43 PHE QD 2 46 SER HB2 3.900 . 8.000 4.853 4.372 6.019 . 0 0 "[ . 1 . 2]" 1
699 2 45 ILE MG 2 46 SER HB2 3.900 . 7.500 4.850 4.714 5.052 . 0 0 "[ . 1 . 2]" 1
700 2 32 ARG HB3 2 47 HIS HA 3.900 . 6.000 5.833 5.537 6.019 0.019 6 0 "[ . 1 . 2]" 1
701 2 33 ILE MG 2 47 HIS HA 3.400 . 6.500 4.301 4.260 4.359 . 0 0 "[ . 1 . 2]" 1
702 2 46 SER HA 2 47 HIS HA 3.900 . 6.000 4.398 4.387 4.413 . 0 0 "[ . 1 . 2]" 1
703 2 46 SER HB3 2 47 HIS HA 3.900 . 6.000 4.736 4.464 4.955 . 0 0 "[ . 1 . 2]" 1
704 2 47 HIS HA 2 52 ILE MD 3.900 . 7.500 4.691 4.396 4.985 . 0 0 "[ . 1 . 2]" 1
705 2 47 HIS HA 2 71 LEU MD1 3.900 . 7.500 4.428 4.139 4.626 . 0 0 "[ . 1 . 2]" 1
706 2 47 HIS HA 2 71 LEU MD2 3.900 . 7.500 4.913 4.783 5.101 . 0 0 "[ . 1 . 2]" 1
707 2 47 HIS HB3 2 52 ILE MD 3.400 . 6.500 2.653 2.330 3.014 . 0 0 "[ . 1 . 2]" 1
708 2 47 HIS HB3 2 71 LEU MD1 3.900 . 7.500 3.739 3.504 4.006 . 0 0 "[ . 1 . 2]" 1
709 2 47 HIS HB3 2 71 LEU MD2 3.900 . 7.500 3.228 3.083 3.409 . 0 0 "[ . 1 . 2]" 1
710 2 47 HIS HB2 2 52 ILE MD 3.400 . 6.500 2.976 2.628 3.299 . 0 0 "[ . 1 . 2]" 1
711 2 47 HIS HB2 2 71 LEU MD1 3.900 . 7.500 4.777 4.618 5.004 . 0 0 "[ . 1 . 2]" 1
712 2 47 HIS HB2 2 71 LEU MD2 3.900 . 7.500 4.134 3.959 4.366 . 0 0 "[ . 1 . 2]" 1
713 2 47 HIS HD2 2 77 THR MG 3.900 . 7.500 2.554 2.226 2.824 . 0 0 "[ . 1 . 2]" 1
714 2 32 ARG QG 2 48 MET HA 3.900 . 7.000 4.114 3.982 4.272 . 0 0 "[ . 1 . 2]" 1
715 2 48 MET HB3 2 50 ALA MB 3.400 . 6.500 3.097 2.829 3.441 . 0 0 "[ . 1 . 2]" 1
716 2 32 ARG HA 2 48 MET ME 3.400 . 6.500 4.486 3.943 5.398 . 0 0 "[ . 1 . 2]" 1
717 2 32 ARG HA 2 48 MET QG 3.900 . 7.000 4.364 3.486 5.097 . 0 0 "[ . 1 . 2]" 1
718 2 48 MET QG 2 50 ALA MB 3.900 . 8.500 4.222 3.683 4.658 . 0 0 "[ . 1 . 2]" 1
719 2 49 TYR HA 2 52 ILE QG 3.400 . 6.000 2.954 2.519 3.183 . 0 0 "[ . 1 . 2]" 1
720 2 49 TYR HA 2 102 LEU MD1 3.400 . 6.500 4.969 4.599 5.223 . 0 0 "[ . 1 . 2]" 1
721 2 49 TYR HA 2 102 LEU MD2 2.400 . 4.200 2.409 1.985 2.859 . 0 0 "[ . 1 . 2]" 1
722 2 49 TYR HA 2 105 PHE QD 3.900 . 8.000 5.373 4.467 5.987 . 0 0 "[ . 1 . 2]" 1
723 2 49 TYR HB3 2 102 LEU HA 3.900 . 6.000 2.051 1.764 2.410 0.036 7 0 "[ . 1 . 2]" 1
724 2 49 TYR HB3 2 102 LEU MD1 3.900 . 7.500 4.962 4.628 5.322 . 0 0 "[ . 1 . 2]" 1
725 2 49 TYR HB3 2 102 LEU MD2 3.400 . 6.500 2.230 1.771 2.612 0.029 17 0 "[ . 1 . 2]" 1
726 2 49 TYR HB3 2 105 PHE HB3 3.900 . 6.000 4.188 3.089 4.876 . 0 0 "[ . 1 . 2]" 1
727 2 49 TYR HB3 2 105 PHE HB2 3.400 . 5.000 2.837 2.252 3.312 . 0 0 "[ . 1 . 2]" 1
728 2 49 TYR HB3 2 105 PHE QD 3.400 . 7.000 3.354 2.542 3.974 . 0 0 "[ . 1 . 2]" 1
729 2 49 TYR HB2 2 102 LEU MD2 3.400 . 6.500 3.734 3.399 4.025 . 0 0 "[ . 1 . 2]" 1
730 2 49 TYR QD 2 98 LEU HA 3.900 . 8.000 4.919 4.424 5.230 . 0 0 "[ . 1 . 2]" 1
731 2 49 TYR QD 2 101 LEU HB3 3.400 . 7.000 2.959 2.628 3.170 . 0 0 "[ . 1 . 2]" 1
732 2 49 TYR QD 2 101 LEU HB2 3.400 . 7.000 4.043 3.647 4.469 . 0 0 "[ . 1 . 2]" 1
733 2 49 TYR QD 2 101 LEU MD1 3.900 . 9.500 3.996 3.588 4.324 . 0 0 "[ . 1 . 2]" 1
734 2 49 TYR QD 2 102 LEU MD2 2.400 . 6.200 2.286 1.966 2.661 . 0 0 "[ . 1 . 2]" 1
735 2 49 TYR QD 2 102 LEU HG 3.900 . 8.000 3.540 3.000 3.989 . 0 0 "[ . 1 . 2]" 1
736 2 49 TYR QD 2 105 PHE QD 3.400 . 9.000 2.551 2.023 2.893 . 0 0 "[ . 1 . 2]" 1
737 2 49 TYR QE 2 101 LEU HB3 2.400 . 4.700 2.781 2.453 3.411 . 0 0 "[ . 1 . 2]" 1
738 2 49 TYR QE 2 101 LEU HB2 2.900 . 5.300 3.538 3.333 3.817 . 0 0 "[ . 1 . 2]" 1
739 2 49 TYR QE 2 101 LEU MD1 3.400 . 8.500 2.318 1.929 2.801 . 0 0 "[ . 1 . 2]" 1
740 2 49 TYR QE 2 101 LEU MD2 2.400 . 6.200 2.989 2.606 3.876 . 0 0 "[ . 1 . 2]" 1
741 2 49 TYR QE 2 105 PHE QD 3.400 . 9.000 4.267 3.569 4.958 . 0 0 "[ . 1 . 2]" 1
742 2 50 ALA HA 2 72 HIS HE1 3.900 . 6.000 5.173 4.827 5.591 . 0 0 "[ . 1 . 2]" 1
743 2 50 ALA HA 2 105 PHE HB3 3.400 . 5.000 3.587 1.879 4.909 . 0 0 "[ . 1 . 2]" 1
744 2 50 ALA HA 2 105 PHE QD 3.400 . 7.000 5.105 3.348 6.304 . 0 0 "[ . 1 . 2]" 1
745 2 49 TYR QD 2 50 ALA MB 3.900 . 9.500 5.366 5.200 5.453 . 0 0 "[ . 1 . 2]" 1
746 2 50 ALA MB 2 51 ASP HA 3.900 . 7.500 4.055 3.997 4.129 . 0 0 "[ . 1 . 2]" 1
747 2 50 ALA MB 2 72 HIS HD2 3.900 . 7.500 5.222 4.939 5.533 . 0 0 "[ . 1 . 2]" 1
748 2 50 ALA MB 2 105 PHE HA 3.400 . 6.500 4.440 3.729 5.031 . 0 0 "[ . 1 . 2]" 1
749 2 50 ALA MB 2 105 PHE HB3 2.900 . 4.800 2.976 1.726 3.685 0.074 1 0 "[ . 1 . 2]" 1
750 2 50 ALA MB 2 105 PHE QD 2.900 . 6.800 3.755 1.734 5.056 0.066 8 0 "[ . 1 . 2]" 1
751 2 51 ASP HA 2 71 LEU HB3 3.900 . 6.000 4.939 4.657 5.292 . 0 0 "[ . 1 . 2]" 1
752 2 51 ASP HA 2 71 LEU MD1 3.900 . 7.500 4.624 4.373 4.960 . 0 0 "[ . 1 . 2]" 1
753 2 51 ASP HA 2 71 LEU MD2 3.900 . 7.500 4.927 4.794 5.160 . 0 0 "[ . 1 . 2]" 1
754 2 51 ASP HA 2 72 HIS HD2 2.400 . 2.700 2.500 1.862 2.708 0.008 7 0 "[ . 1 . 2]" 1
755 2 51 ASP HA 2 72 HIS HE1 3.400 . 5.000 5.032 4.835 5.085 0.085 5 0 "[ . 1 . 2]" 1
756 2 51 ASP HB3 2 71 LEU MD1 3.900 . 7.500 3.076 2.751 3.531 . 0 0 "[ . 1 . 2]" 1
757 2 51 ASP HB3 2 71 LEU MD2 3.900 . 7.500 4.230 3.720 4.574 . 0 0 "[ . 1 . 2]" 1
758 2 51 ASP HB2 2 71 LEU MD1 3.400 . 6.500 2.933 2.430 3.986 . 0 0 "[ . 1 . 2]" 1
759 2 52 ILE HA 2 71 LEU HA 2.400 . 2.700 1.905 1.782 2.145 0.018 9 0 "[ . 1 . 2]" 1
760 2 52 ILE HA 2 71 LEU MD2 2.900 . 4.800 2.140 2.082 2.221 . 0 0 "[ . 1 . 2]" 1
761 2 52 ILE HA 2 72 HIS HE1 3.900 . 6.000 5.132 5.011 5.238 . 0 0 "[ . 1 . 2]" 1
762 2 49 TYR HA 2 52 ILE HB 3.400 . 5.000 2.995 2.638 3.171 . 0 0 "[ . 1 . 2]" 1
763 2 49 TYR HB3 2 52 ILE HB 3.900 . 6.000 4.363 3.647 4.721 . 0 0 "[ . 1 . 2]" 1
764 2 49 TYR QD 2 52 ILE HB 3.900 . 8.000 4.001 3.735 4.287 . 0 0 "[ . 1 . 2]" 1
765 2 52 ILE HB 2 71 LEU HA 3.900 . 6.000 4.835 4.695 5.090 . 0 0 "[ . 1 . 2]" 1
766 2 52 ILE HB 2 71 LEU MD2 3.900 . 7.500 4.058 3.972 4.225 . 0 0 "[ . 1 . 2]" 1
767 2 52 ILE HB 2 72 HIS HE1 3.900 . 6.000 5.555 5.386 5.685 . 0 0 "[ . 1 . 2]" 1
768 2 47 HIS HD2 2 52 ILE MD 3.400 . 6.500 4.831 4.543 5.179 . 0 0 "[ . 1 . 2]" 1
769 2 49 TYR HA 2 52 ILE MD 2.400 . 4.200 2.025 1.808 2.291 . 0 0 "[ . 1 . 2]" 1
770 2 49 TYR QD 2 52 ILE MD 2.400 . 6.200 2.057 1.588 2.431 0.212 17 0 "[ . 1 . 2]" 1
771 2 51 ASP HB2 2 52 ILE MD 3.400 . 6.500 4.630 4.495 4.778 . 0 0 "[ . 1 . 2]" 1
772 2 52 ILE MD 2 71 LEU HA 3.900 . 7.500 5.078 4.945 5.323 . 0 0 "[ . 1 . 2]" 1
773 2 47 HIS HB3 2 52 ILE QG 3.900 . 7.000 2.798 2.612 2.976 . 0 0 "[ . 1 . 2]" 1
774 2 47 HIS HB2 2 52 ILE QG 3.900 . 7.000 3.878 3.634 4.131 . 0 0 "[ . 1 . 2]" 1
775 2 52 ILE QG 2 71 LEU HA 3.900 . 7.000 3.621 3.463 3.862 . 0 0 "[ . 1 . 2]" 1
776 2 49 TYR HA 2 52 ILE MG 3.900 . 7.500 4.266 3.975 4.402 . 0 0 "[ . 1 . 2]" 1
777 2 49 TYR QD 2 52 ILE MG 3.900 . 9.500 4.420 4.047 4.693 . 0 0 "[ . 1 . 2]" 1
778 2 52 ILE MG 2 54 CYS HA 3.400 . 6.500 3.360 3.207 3.603 . 0 0 "[ . 1 . 2]" 1
779 2 52 ILE MG 2 55 GLN HA 3.900 . 7.500 3.778 3.609 3.950 . 0 0 "[ . 1 . 2]" 1
780 2 52 ILE MG 2 69 LEU HA 3.400 . 6.500 3.247 3.151 3.414 . 0 0 "[ . 1 . 2]" 1
781 2 52 ILE MG 2 69 LEU HB3 2.900 . 4.800 2.809 2.660 3.120 . 0 0 "[ . 1 . 2]" 1
782 2 52 ILE MG 2 71 LEU HA 3.400 . 6.500 3.066 2.877 3.345 . 0 0 "[ . 1 . 2]" 1
783 2 52 ILE MG 2 71 LEU MD2 2.900 . 6.300 2.495 2.356 2.782 . 0 0 "[ . 1 . 2]" 1
784 2 52 ILE MG 2 72 HIS HE1 3.400 . 6.500 5.329 5.303 5.364 . 0 0 "[ . 1 . 2]" 1
785 2 53 LYS HA 2 72 HIS HD2 3.900 . 6.000 5.724 5.540 5.903 . 0 0 "[ . 1 . 2]" 1
786 2 53 LYS HA 2 72 HIS HE1 3.400 . 5.000 2.415 2.146 2.630 . 0 0 "[ . 1 . 2]" 1
787 2 52 ILE HA 2 53 LYS HB3 3.900 . 6.000 4.590 4.280 4.731 . 0 0 "[ . 1 . 2]" 1
788 2 53 LYS HB3 2 54 CYS HB3 3.900 . 6.000 4.586 4.246 4.975 . 0 0 "[ . 1 . 2]" 1
789 2 53 LYS HB3 2 70 VAL HB 3.900 . 6.000 3.680 3.441 4.141 . 0 0 "[ . 1 . 2]" 1
790 2 53 LYS HB3 2 71 LEU HA 3.900 . 6.000 3.957 3.642 4.198 . 0 0 "[ . 1 . 2]" 1
791 2 53 LYS HB3 2 72 HIS HA 3.400 . 5.000 3.395 2.941 3.614 . 0 0 "[ . 1 . 2]" 1
792 2 53 LYS HB3 2 72 HIS HE1 3.900 . 6.000 5.172 4.846 5.374 . 0 0 "[ . 1 . 2]" 1
793 2 52 ILE HA 2 53 LYS HB2 3.900 . 6.000 4.536 4.372 4.943 . 0 0 "[ . 1 . 2]" 1
794 2 53 LYS HB2 2 70 VAL HB 3.900 . 6.000 5.348 5.000 5.825 . 0 0 "[ . 1 . 2]" 1
795 2 53 LYS HB2 2 71 LEU HA 3.900 . 6.000 4.001 3.748 4.556 . 0 0 "[ . 1 . 2]" 1
796 2 53 LYS HB2 2 72 HIS HA 3.400 . 5.000 1.925 1.728 2.336 0.072 13 0 "[ . 1 . 2]" 1
797 2 53 LYS HB2 2 72 HIS HD2 3.900 . 6.000 5.647 5.267 5.889 . 0 0 "[ . 1 . 2]" 1
798 2 53 LYS HB2 2 72 HIS HE1 3.900 . 6.000 3.992 3.559 4.340 . 0 0 "[ . 1 . 2]" 1
799 2 53 LYS QD 2 72 HIS HA 3.400 . 6.000 3.340 2.218 4.978 . 0 0 "[ . 1 . 2]" 1
800 2 53 LYS QD 2 72 HIS HE1 3.900 . 7.000 5.377 4.032 6.122 . 0 0 "[ . 1 . 2]" 1
801 2 53 LYS QG 2 54 CYS HB3 3.900 . 7.000 3.354 2.786 4.322 . 0 0 "[ . 1 . 2]" 1
802 2 53 LYS QG 2 72 HIS HE1 3.900 . 7.000 4.026 3.761 5.498 . 0 0 "[ . 1 . 2]" 1
803 2 54 CYS HA 2 55 GLN HB2 3.900 . 6.000 5.616 5.587 5.644 . 0 0 "[ . 1 . 2]" 1
804 2 54 CYS HA 2 102 LEU MD1 2.400 . 4.200 2.955 2.704 3.220 . 0 0 "[ . 1 . 2]" 1
805 2 54 CYS HA 2 102 LEU MD2 3.400 . 6.500 4.283 3.727 4.732 . 0 0 "[ . 1 . 2]" 1
806 2 54 CYS HB3 2 102 LEU MD1 3.400 . 6.500 4.970 4.751 5.247 . 0 0 "[ . 1 . 2]" 1
807 2 55 GLN HA 2 56 LYS HA 3.900 . 6.000 4.546 4.528 4.557 . 0 0 "[ . 1 . 2]" 1
808 2 55 GLN HA 2 67 LEU MD1 3.400 . 6.500 4.890 4.690 5.026 . 0 0 "[ . 1 . 2]" 1
809 2 55 GLN HA 2 69 LEU HA 3.400 . 5.000 2.625 2.522 2.704 . 0 0 "[ . 1 . 2]" 1
810 2 55 GLN HA 2 69 LEU MD2 2.900 . 4.800 3.108 2.897 3.255 . 0 0 "[ . 1 . 2]" 1
811 2 55 GLN HA 2 70 VAL MG2 3.400 . 6.500 3.584 3.329 3.957 . 0 0 "[ . 1 . 2]" 1
812 2 55 GLN HA 2 102 LEU MD1 3.400 . 6.500 4.161 3.969 4.332 . 0 0 "[ . 1 . 2]" 1
813 2 55 GLN HB3 2 67 LEU MD1 3.900 . 7.500 4.025 3.822 4.177 . 0 0 "[ . 1 . 2]" 1
814 2 55 GLN HB3 2 69 LEU HA 3.900 . 6.000 3.375 3.077 3.771 . 0 0 "[ . 1 . 2]" 1
815 2 55 GLN HB3 2 69 LEU MD2 3.400 . 6.500 2.402 2.209 2.776 . 0 0 "[ . 1 . 2]" 1
816 2 55 GLN HB3 2 102 LEU MD1 3.400 . 6.500 2.493 2.390 2.629 . 0 0 "[ . 1 . 2]" 1
817 2 55 GLN HB2 2 69 LEU HA 3.400 . 5.000 3.899 3.578 4.274 . 0 0 "[ . 1 . 2]" 1
818 2 55 GLN QG 2 67 LEU MD1 3.900 . 8.500 4.065 3.941 4.266 . 0 0 "[ . 1 . 2]" 1
819 2 55 GLN QG 2 69 LEU HA 3.900 . 7.000 5.053 4.862 5.330 . 0 0 "[ . 1 . 2]" 1
820 2 55 GLN QG 2 56 LYS HA 3.900 . 7.000 4.173 4.022 4.307 . 0 0 "[ . 1 . 2]" 1
821 2 55 GLN HA 2 56 LYS HB3 3.900 . 6.000 5.683 5.606 5.727 . 0 0 "[ . 1 . 2]" 1
822 2 56 LYS HB2 2 68 GLN HB2 3.900 . 6.000 3.181 3.053 3.308 . 0 0 "[ . 1 . 2]" 1
823 2 56 LYS QD 2 70 VAL MG2 3.400 . 7.500 3.659 2.654 3.954 . 0 0 "[ . 1 . 2]" 1
824 2 56 LYS QE 2 70 VAL MG2 2.900 . 5.800 2.596 1.622 3.016 0.178 7 0 "[ . 1 . 2]" 1
825 2 55 GLN HA 2 56 LYS QG 3.900 . 7.000 3.494 3.153 3.643 . 0 0 "[ . 1 . 2]" 1
826 2 57 ILE HA 2 67 LEU HB2 3.900 . 6.000 4.292 4.199 4.382 . 0 0 "[ . 1 . 2]" 1
827 2 57 ILE HA 2 91 ARG QD 3.900 . 7.000 4.382 3.339 5.184 . 0 0 "[ . 1 . 2]" 1
828 2 57 ILE HB 2 91 ARG QD 3.400 . 6.000 2.649 1.896 3.603 . 0 0 "[ . 1 . 2]" 1
829 2 57 ILE MD 2 59 PRO HA 3.400 . 6.500 3.752 3.413 3.978 . 0 0 "[ . 1 . 2]" 1
830 2 57 ILE MD 2 91 ARG QD 3.900 . 8.500 2.970 2.570 3.402 . 0 0 "[ . 1 . 2]" 1
831 2 57 ILE MD 2 95 LYS QD 3.400 . 7.500 2.011 1.320 2.911 0.480 20 0 "[ . 1 . 2]" 1
832 2 57 ILE MD 2 95 LYS QE 2.900 . 5.800 2.556 2.206 2.858 . 0 0 "[ . 1 . 2]" 1
833 2 57 ILE MG 2 91 ARG QD 2.900 . 5.800 2.154 1.931 2.558 . 0 0 "[ . 1 . 2]" 1
834 2 57 ILE MG 2 95 LYS HA 3.900 . 7.500 3.759 3.600 3.864 . 0 0 "[ . 1 . 2]" 1
835 2 57 ILE MG 2 95 LYS HB2 2.900 . 4.800 2.421 2.161 2.676 . 0 0 "[ . 1 . 2]" 1
836 2 57 ILE MG 2 95 LYS QG 2.400 . 5.200 2.731 1.829 3.379 . 0 0 "[ . 1 . 2]" 1
837 2 57 ILE HA 2 58 SER HA 3.900 . 6.000 4.389 4.366 4.409 . 0 0 "[ . 1 . 2]" 1
838 2 57 ILE QG 2 58 SER HA 3.900 . 7.000 4.433 4.380 4.499 . 0 0 "[ . 1 . 2]" 1
839 2 58 SER HA 2 59 PRO QD 2.900 . 4.300 1.711 1.638 1.772 0.162 17 0 "[ . 1 . 2]" 1
840 2 58 SER HA 2 59 PRO QG 3.400 . 6.000 3.620 3.563 3.676 . 0 0 "[ . 1 . 2]" 1
841 2 58 SER HB3 2 59 PRO QD 3.900 . 7.000 3.650 3.324 4.003 . 0 0 "[ . 1 . 2]" 1
842 2 58 SER HB3 2 59 PRO QG 3.900 . 7.000 5.378 5.023 5.764 . 0 0 "[ . 1 . 2]" 1
843 2 58 SER HB3 2 62 LYS QG 3.900 . 7.000 4.304 2.980 5.150 . 0 0 "[ . 1 . 2]" 1
844 2 58 SER HB3 2 66 GLN HB3 3.900 . 6.000 4.717 3.761 5.391 . 0 0 "[ . 1 . 2]" 1
845 2 58 SER HB3 2 66 GLN HB2 3.400 . 5.000 2.985 2.102 3.650 . 0 0 "[ . 1 . 2]" 1
846 2 58 SER HB3 2 66 GLN QG 3.900 . 7.000 4.207 3.435 4.870 . 0 0 "[ . 1 . 2]" 1
847 2 58 SER HB2 2 59 PRO QD 3.400 . 6.000 3.128 2.991 3.292 . 0 0 "[ . 1 . 2]" 1
848 2 58 SER HB2 2 59 PRO QG 3.400 . 6.000 4.500 4.334 4.954 . 0 0 "[ . 1 . 2]" 1
849 2 58 SER HB2 2 62 LYS QG 3.900 . 7.000 2.998 1.889 3.577 . 0 0 "[ . 1 . 2]" 1
850 2 58 SER HB2 2 66 GLN HB3 3.900 . 6.000 5.743 5.321 5.954 . 0 0 "[ . 1 . 2]" 1
851 2 58 SER HB2 2 66 GLN HB2 3.400 . 5.000 4.029 3.573 4.272 . 0 0 "[ . 1 . 2]" 1
852 2 57 ILE QG 2 59 PRO HA 2.900 . 4.300 3.544 3.521 3.566 . 0 0 "[ . 1 . 2]" 1
853 2 59 PRO HA 2 60 GLU HA 3.400 . 5.000 4.348 4.322 4.368 . 0 0 "[ . 1 . 2]" 1
854 2 57 ILE QG 2 59 PRO QB 3.900 . 8.000 4.098 3.940 4.568 . 0 0 "[ . 1 . 2]" 1
855 2 58 SER HA 2 59 PRO QB 3.900 . 7.000 4.515 4.479 4.554 . 0 0 "[ . 1 . 2]" 1
856 2 57 ILE QG 2 59 PRO QG 3.400 . 7.000 4.851 3.879 4.959 . 0 0 "[ . 1 . 2]" 1
857 2 60 GLU HA 2 65 ILE MD 3.400 . 6.500 4.363 3.346 4.789 . 0 0 "[ . 1 . 2]" 1
858 2 60 GLU HA 2 65 ILE QG 3.400 . 6.000 3.238 2.497 3.553 . 0 0 "[ . 1 . 2]" 1
859 2 60 GLU HA 2 88 VAL MG1 3.400 . 6.500 5.152 4.287 5.320 . 0 0 "[ . 1 . 2]" 1
860 2 60 GLU HA 2 88 VAL MG2 3.400 . 6.500 4.356 3.749 4.674 . 0 0 "[ . 1 . 2]" 1
861 2 59 PRO HA 2 60 GLU QB 3.900 . 7.000 4.615 4.365 4.939 . 0 0 "[ . 1 . 2]" 1
862 2 60 GLU QB 2 61 GLY QA 3.900 . 8.000 3.691 3.613 3.768 . 0 0 "[ . 1 . 2]" 1
863 2 60 GLU QG 2 61 GLY QA 3.900 . 8.000 4.976 4.748 5.226 . 0 0 "[ . 1 . 2]" 1
864 2 62 LYS HA 2 63 ALA HA 3.400 . 5.000 4.330 4.298 4.355 . 0 0 "[ . 1 . 2]" 1
865 2 63 ALA HA 2 65 ILE MD 3.400 . 6.500 5.354 5.319 5.395 . 0 0 "[ . 1 . 2]" 1
866 2 62 LYS HA 2 63 ALA MB 3.400 . 6.500 4.096 4.054 4.178 . 0 0 "[ . 1 . 2]" 1
867 2 64 LYS HA 2 80 HIS HD2 3.400 . 5.000 3.988 3.400 4.603 . 0 0 "[ . 1 . 2]" 1
868 2 64 LYS QB 2 66 GLN QG 3.400 . 7.000 2.584 2.353 3.091 . 0 0 "[ . 1 . 2]" 1
869 2 64 LYS QB 2 80 HIS HA 3.900 . 7.000 4.262 3.777 4.761 . 0 0 "[ . 1 . 2]" 1
870 2 64 LYS QB 2 80 HIS HD2 3.900 . 7.000 2.782 2.381 3.157 . 0 0 "[ . 1 . 2]" 1
871 2 64 LYS QB 2 80 HIS HE1 3.900 . 7.000 3.696 2.792 4.486 . 0 0 "[ . 1 . 2]" 1
872 2 64 LYS QD 2 66 GLN QG 3.900 . 8.000 4.581 3.076 5.127 . 0 0 "[ . 1 . 2]" 1
873 2 64 LYS QD 2 80 HIS HD2 3.900 . 7.000 4.959 3.231 5.857 . 0 0 "[ . 1 . 2]" 1
874 2 64 LYS QD 2 80 HIS HE1 3.900 . 7.000 3.769 2.599 4.777 . 0 0 "[ . 1 . 2]" 1
875 2 64 LYS QE 2 80 HIS HA 3.900 . 7.000 5.582 4.430 6.372 . 0 0 "[ . 1 . 2]" 1
876 2 64 LYS QE 2 80 HIS HD2 3.900 . 7.000 4.742 3.558 5.589 . 0 0 "[ . 1 . 2]" 1
877 2 64 LYS QE 2 80 HIS HE1 3.400 . 6.000 3.463 2.404 4.847 . 0 0 "[ . 1 . 2]" 1
878 2 64 LYS QG 2 80 HIS HA 3.900 . 7.000 5.603 4.465 6.264 . 0 0 "[ . 1 . 2]" 1
879 2 64 LYS QG 2 80 HIS HD2 3.900 . 7.000 4.313 3.420 5.073 . 0 0 "[ . 1 . 2]" 1
880 2 64 LYS QG 2 80 HIS HE1 3.900 . 7.000 4.080 2.298 5.431 . 0 0 "[ . 1 . 2]" 1
881 2 64 LYS HA 2 65 ILE HA 3.900 . 6.000 4.417 4.361 4.479 . 0 0 "[ . 1 . 2]" 1
882 2 65 ILE HA 2 66 GLN HA 3.900 . 6.000 4.412 4.397 4.420 . 0 0 "[ . 1 . 2]" 1
883 2 65 ILE HA 2 80 HIS HA 3.900 . 6.000 6.014 5.802 6.110 0.110 4 0 "[ . 1 . 2]" 1
884 2 65 ILE HA 2 80 HIS HD2 3.900 . 6.000 5.344 4.961 5.892 . 0 0 "[ . 1 . 2]" 1
885 2 65 ILE HA 2 87 ALA MB 3.400 . 6.500 5.288 5.074 5.327 . 0 0 "[ . 1 . 2]" 1
886 2 65 ILE HA 2 88 VAL MG2 3.900 . 7.500 4.968 4.736 5.367 . 0 0 "[ . 1 . 2]" 1
887 2 65 ILE HB 2 80 HIS HD2 3.900 . 6.000 4.788 4.357 5.223 . 0 0 "[ . 1 . 2]" 1
888 2 65 ILE HB 2 81 PHE QD 3.900 . 8.000 4.141 3.879 4.440 . 0 0 "[ . 1 . 2]" 1
889 2 65 ILE HB 2 87 ALA MB 2.400 . 4.200 2.744 2.608 2.844 . 0 0 "[ . 1 . 2]" 1
890 2 64 LYS HA 2 65 ILE MD 3.400 . 6.500 3.691 2.775 4.641 . 0 0 "[ . 1 . 2]" 1
891 2 65 ILE MD 2 80 HIS HD2 3.900 . 7.500 5.310 5.033 5.647 . 0 0 "[ . 1 . 2]" 1
892 2 65 ILE MD 2 81 PHE QD 3.900 . 9.500 5.430 5.216 5.696 . 0 0 "[ . 1 . 2]" 1
893 2 65 ILE MD 2 87 ALA MB 2.400 . 5.700 2.312 2.088 2.684 . 0 0 "[ . 1 . 2]" 1
894 2 65 ILE MD 2 88 VAL HA 3.400 . 6.500 3.106 2.695 3.600 . 0 0 "[ . 1 . 2]" 1
895 2 65 ILE MD 2 88 VAL MG2 2.400 . 5.700 1.750 1.603 1.874 0.197 10 0 "[ . 1 . 2]" 1
896 2 64 LYS HA 2 65 ILE QG 3.900 . 7.000 3.972 3.773 4.303 . 0 0 "[ . 1 . 2]" 1
897 2 65 ILE QG 2 88 VAL HA 3.900 . 7.000 3.598 2.462 4.219 . 0 0 "[ . 1 . 2]" 1
898 2 65 ILE QG 2 88 VAL MG2 3.400 . 7.500 2.256 1.630 3.050 0.170 20 0 "[ . 1 . 2]" 1
899 2 57 ILE HA 2 65 ILE MG 3.900 . 7.500 5.389 5.108 5.690 . 0 0 "[ . 1 . 2]" 1
900 2 64 LYS HA 2 65 ILE MG 3.900 . 7.500 5.462 5.411 5.507 . 0 0 "[ . 1 . 2]" 1
901 2 65 ILE MG 2 66 GLN HA 3.900 . 7.500 3.709 3.533 3.846 . 0 0 "[ . 1 . 2]" 1
902 2 65 ILE MG 2 80 HIS HA 3.900 . 7.500 5.694 5.476 5.948 . 0 0 "[ . 1 . 2]" 1
903 2 65 ILE MG 2 81 PHE HB3 3.900 . 7.500 4.736 4.439 5.025 . 0 0 "[ . 1 . 2]" 1
904 2 65 ILE MG 2 81 PHE QD 2.900 . 6.800 3.325 2.889 3.617 . 0 0 "[ . 1 . 2]" 1
905 2 65 ILE MG 2 81 PHE QE 3.400 . 8.500 4.304 3.872 4.564 . 0 0 "[ . 1 . 2]" 1
906 2 65 ILE MG 2 87 ALA MB 2.400 . 5.700 3.650 3.297 3.808 . 0 0 "[ . 1 . 2]" 1
907 2 65 ILE MG 2 88 VAL HA 2.400 . 4.200 2.048 1.595 2.204 0.205 20 0 "[ . 1 . 2]" 1
908 2 65 ILE MG 2 88 VAL MG2 2.900 . 6.300 2.621 2.179 2.930 . 0 0 "[ . 1 . 2]" 1
909 2 58 SER HB3 2 66 GLN HA 3.900 . 6.000 5.510 4.651 6.065 0.065 13 0 "[ . 1 . 2]" 1
910 2 66 GLN HA 2 67 LEU HA 3.900 . 6.000 4.435 4.417 4.448 . 0 0 "[ . 1 . 2]" 1
911 2 66 GLN HA 2 67 LEU MD1 3.900 . 7.500 5.504 5.465 5.561 . 0 0 "[ . 1 . 2]" 1
912 2 66 GLN HA 2 80 HIS HA 3.400 . 5.000 2.767 2.472 3.171 . 0 0 "[ . 1 . 2]" 1
913 2 66 GLN HA 2 80 HIS HB2 3.900 . 6.000 4.970 4.613 5.424 . 0 0 "[ . 1 . 2]" 1
914 2 66 GLN HA 2 80 HIS HD2 3.400 . 5.000 4.124 3.765 4.669 . 0 0 "[ . 1 . 2]" 1
915 2 66 GLN HA 2 81 PHE QD 3.400 . 7.000 1.857 1.673 2.207 0.127 4 0 "[ . 1 . 2]" 1
916 2 66 GLN HB3 2 67 LEU HA 3.900 . 6.000 4.545 4.450 4.689 . 0 0 "[ . 1 . 2]" 1
917 2 66 GLN HB3 2 80 HIS HA 3.900 . 6.000 2.535 2.113 2.905 . 0 0 "[ . 1 . 2]" 1
918 2 66 GLN HB3 2 80 HIS HD2 3.900 . 6.000 4.743 4.374 5.109 . 0 0 "[ . 1 . 2]" 1
919 2 66 GLN HB2 2 67 LEU HA 3.900 . 6.000 4.525 4.372 4.689 . 0 0 "[ . 1 . 2]" 1
920 2 66 GLN HB2 2 80 HIS HA 3.900 . 6.000 3.816 3.616 4.032 . 0 0 "[ . 1 . 2]" 1
921 2 66 GLN HB2 2 80 HIS HD2 3.900 . 6.000 5.314 4.931 5.716 . 0 0 "[ . 1 . 2]" 1
922 2 64 LYS QG 2 66 GLN QG 3.400 . 7.000 3.776 2.441 4.635 . 0 0 "[ . 1 . 2]" 1
923 2 66 GLN QG 2 80 HIS HA 3.400 . 6.000 1.443 1.223 1.784 0.577 4 5 "[ +.- * * . * 2]" 1
924 2 66 GLN QG 2 80 HIS HB2 3.900 . 7.000 2.408 1.966 2.952 . 0 0 "[ . 1 . 2]" 1
925 2 66 GLN QG 2 80 HIS HD2 3.900 . 7.000 2.465 2.080 2.773 . 0 0 "[ . 1 . 2]" 1
926 2 57 ILE MG 2 67 LEU HA 3.400 . 6.500 2.425 2.283 2.556 . 0 0 "[ . 1 . 2]" 1
927 2 67 LEU HA 2 68 GLN HB3 3.900 . 6.000 4.571 4.497 4.626 . 0 0 "[ . 1 . 2]" 1
928 2 67 LEU HA 2 81 PHE QE 3.900 . 8.000 3.744 3.551 3.966 . 0 0 "[ . 1 . 2]" 1
929 2 67 LEU HA 2 91 ARG QD 3.900 . 7.000 4.667 3.697 5.230 . 0 0 "[ . 1 . 2]" 1
930 2 57 ILE MG 2 67 LEU HB3 3.900 . 7.500 4.259 4.168 4.342 . 0 0 "[ . 1 . 2]" 1
931 2 66 GLN HA 2 67 LEU HB3 3.900 . 6.000 4.744 4.688 4.798 . 0 0 "[ . 1 . 2]" 1
932 2 67 LEU HB3 2 79 PHE HB2 3.900 . 6.000 2.390 2.257 2.602 . 0 0 "[ . 1 . 2]" 1
933 2 67 LEU HB3 2 79 PHE QD 3.900 . 8.000 2.963 2.707 3.208 . 0 0 "[ . 1 . 2]" 1
934 2 67 LEU HB3 2 81 PHE QD 3.900 . 8.000 4.917 4.668 5.084 . 0 0 "[ . 1 . 2]" 1
935 2 67 LEU HB3 2 81 PHE QE 3.400 . 7.000 2.910 2.570 3.231 . 0 0 "[ . 1 . 2]" 1
936 2 67 LEU HB3 2 81 PHE HZ 3.900 . 6.000 3.650 3.389 3.881 . 0 0 "[ . 1 . 2]" 1
937 2 67 LEU HB3 2 91 ARG QD 3.900 . 7.000 5.968 5.402 6.265 . 0 0 "[ . 1 . 2]" 1
938 2 57 ILE MG 2 67 LEU HB2 3.400 . 6.500 3.024 2.930 3.106 . 0 0 "[ . 1 . 2]" 1
939 2 66 GLN HA 2 67 LEU HB2 3.900 . 6.000 4.298 4.255 4.341 . 0 0 "[ . 1 . 2]" 1
940 2 67 LEU HB2 2 79 PHE QD 3.900 . 8.000 4.615 4.375 4.885 . 0 0 "[ . 1 . 2]" 1
941 2 67 LEU HB2 2 81 PHE QD 3.900 . 8.000 4.255 4.017 4.452 . 0 0 "[ . 1 . 2]" 1
942 2 67 LEU HB2 2 81 PHE QE 3.400 . 7.000 1.967 1.712 2.162 0.088 5 0 "[ . 1 . 2]" 1
943 2 67 LEU HB2 2 81 PHE HZ 3.900 . 6.000 3.008 2.679 3.227 . 0 0 "[ . 1 . 2]" 1
944 2 67 LEU HB2 2 91 ARG QD 3.900 . 7.000 4.432 3.987 4.737 . 0 0 "[ . 1 . 2]" 1
945 2 57 ILE MG 2 67 LEU MD1 2.400 . 5.700 1.578 1.543 1.622 0.257 10 0 "[ . 1 . 2]" 1
946 2 67 LEU MD1 2 81 PHE QE 2.900 . 6.800 3.572 3.247 3.835 . 0 0 "[ . 1 . 2]" 1
947 2 67 LEU MD1 2 81 PHE HZ 3.400 . 6.500 3.676 3.175 3.931 . 0 0 "[ . 1 . 2]" 1
948 2 67 LEU MD1 2 91 ARG QD 3.400 . 7.500 3.538 3.221 3.862 . 0 0 "[ . 1 . 2]" 1
949 2 67 LEU MD1 2 92 ASP HA 3.400 . 6.500 5.083 4.594 5.406 . 0 0 "[ . 1 . 2]" 1
950 2 67 LEU MD1 2 94 VAL HB 2.900 . 4.800 3.277 3.072 3.528 . 0 0 "[ . 1 . 2]" 1
951 2 67 LEU MD1 2 95 LYS HA 2.400 . 4.200 2.521 2.312 2.650 . 0 0 "[ . 1 . 2]" 1
952 2 26 LEU MD1 2 67 LEU MD2 3.400 . 8.000 4.292 4.150 4.524 . 0 0 "[ . 1 . 2]" 1
953 2 55 GLN HA 2 67 LEU MD2 3.400 . 6.500 4.883 4.612 5.115 . 0 0 "[ . 1 . 2]" 1
954 2 67 LEU MD2 2 68 GLN HA 3.900 . 7.500 4.419 4.317 4.548 . 0 0 "[ . 1 . 2]" 1
955 2 67 LEU MD2 2 79 PHE QD 2.400 . 6.200 2.421 2.227 2.756 . 0 0 "[ . 1 . 2]" 1
956 2 67 LEU MD2 2 81 PHE QD 3.900 . 9.500 5.684 5.497 5.820 . 0 0 "[ . 1 . 2]" 1
957 2 67 LEU MD2 2 81 PHE QE 2.900 . 6.800 3.881 3.656 4.030 . 0 0 "[ . 1 . 2]" 1
958 2 67 LEU MD2 2 81 PHE HZ 2.900 . 4.800 3.384 3.103 3.626 . 0 0 "[ . 1 . 2]" 1
959 2 67 LEU MD2 2 94 VAL HB 3.400 . 6.500 3.330 2.945 3.624 . 0 0 "[ . 1 . 2]" 1
960 2 67 LEU MD2 2 95 LYS HA 3.400 . 6.500 3.825 3.583 3.992 . 0 0 "[ . 1 . 2]" 1
961 2 55 GLN HA 2 67 LEU HG 3.900 . 6.000 4.856 4.637 5.030 . 0 0 "[ . 1 . 2]" 1
962 2 57 ILE MG 2 67 LEU HG 2.400 . 4.200 3.399 3.362 3.424 . 0 0 "[ . 1 . 2]" 1
963 2 67 LEU HG 2 79 PHE QD 3.900 . 8.000 4.305 4.069 4.479 . 0 0 "[ . 1 . 2]" 1
964 2 67 LEU HG 2 81 PHE QE 3.400 . 7.000 4.820 4.617 4.994 . 0 0 "[ . 1 . 2]" 1
965 2 67 LEU HG 2 81 PHE HZ 3.900 . 6.000 5.509 5.201 5.771 . 0 0 "[ . 1 . 2]" 1
966 2 67 LEU HG 2 95 LYS HA 3.900 . 6.000 5.181 4.940 5.337 . 0 0 "[ . 1 . 2]" 1
967 2 68 GLN HA 2 76 THR HB 3.900 . 6.000 4.674 4.508 4.808 . 0 0 "[ . 1 . 2]" 1
968 2 68 GLN HA 2 77 THR HB 3.900 . 6.000 4.720 4.490 4.866 . 0 0 "[ . 1 . 2]" 1
969 2 68 GLN HA 2 78 ASN HA 3.400 . 5.000 2.507 2.367 2.618 . 0 0 "[ . 1 . 2]" 1
970 2 68 GLN HB3 2 78 ASN HA 3.900 . 6.000 5.138 5.017 5.348 . 0 0 "[ . 1 . 2]" 1
971 2 68 GLN HB2 2 78 ASN HA 3.900 . 6.000 3.868 3.675 4.129 . 0 0 "[ . 1 . 2]" 1
972 2 68 GLN QG 2 69 LEU HA 3.900 . 7.000 4.173 4.062 4.263 . 0 0 "[ . 1 . 2]" 1
973 2 68 GLN QG 2 70 VAL MG2 3.400 . 7.500 2.554 2.382 2.683 . 0 0 "[ . 1 . 2]" 1
974 2 68 GLN QG 2 76 THR HB 3.400 . 6.000 2.435 2.280 2.660 . 0 0 "[ . 1 . 2]" 1
975 2 68 GLN QG 2 78 ASN HA 3.900 . 7.000 3.484 3.333 3.704 . 0 0 "[ . 1 . 2]" 1
976 2 69 LEU HA 2 70 VAL HB 3.900 . 6.000 4.657 4.510 4.729 . 0 0 "[ . 1 . 2]" 1
977 2 69 LEU HA 2 70 VAL MG2 3.400 . 6.500 3.973 3.856 4.196 . 0 0 "[ . 1 . 2]" 1
978 2 69 LEU HA 2 77 THR HB 3.900 . 6.000 5.078 4.950 5.191 . 0 0 "[ . 1 . 2]" 1
979 2 69 LEU HB3 2 71 LEU MD2 3.900 . 7.500 2.542 2.407 2.693 . 0 0 "[ . 1 . 2]" 1
980 2 69 LEU HB3 2 77 THR HB 3.400 . 5.000 3.869 3.604 4.026 . 0 0 "[ . 1 . 2]" 1
981 2 69 LEU HB3 2 77 THR MG 3.900 . 7.500 5.058 4.889 5.177 . 0 0 "[ . 1 . 2]" 1
982 2 52 ILE MG 2 69 LEU HB2 3.900 . 7.500 4.279 4.132 4.593 . 0 0 "[ . 1 . 2]" 1
983 2 68 GLN HA 2 69 LEU HB2 3.900 . 6.000 4.468 4.439 4.501 . 0 0 "[ . 1 . 2]" 1
984 2 69 LEU HB2 2 71 LEU MD2 3.900 . 7.500 3.392 3.275 3.522 . 0 0 "[ . 1 . 2]" 1
985 2 69 LEU HB2 2 77 THR HA 3.900 . 6.000 4.517 4.384 4.671 . 0 0 "[ . 1 . 2]" 1
986 2 69 LEU HB2 2 77 THR HB 3.400 . 5.000 2.247 2.039 2.371 . 0 0 "[ . 1 . 2]" 1
987 2 69 LEU HB2 2 77 THR MG 3.400 . 6.500 3.882 3.760 3.982 . 0 0 "[ . 1 . 2]" 1
988 2 47 HIS HB2 2 69 LEU MD1 3.400 . 6.500 2.849 2.568 3.038 . 0 0 "[ . 1 . 2]" 1
989 2 47 HIS HD2 2 69 LEU MD1 2.400 . 4.200 2.953 2.531 3.336 . 0 0 "[ . 1 . 2]" 1
990 2 47 HIS HE1 2 69 LEU MD1 3.900 . 7.500 5.642 5.348 5.905 . 0 0 "[ . 1 . 2]" 1
991 2 52 ILE HA 2 69 LEU MD1 3.400 . 6.500 5.234 5.209 5.251 . 0 0 "[ . 1 . 2]" 1
992 2 69 LEU MD1 2 71 LEU MD2 2.900 . 6.300 3.262 3.135 3.377 . 0 0 "[ . 1 . 2]" 1
993 2 69 LEU MD1 2 77 THR HA 3.900 . 7.500 5.399 5.236 5.577 . 0 0 "[ . 1 . 2]" 1
994 2 69 LEU MD1 2 77 THR HB 2.900 . 4.800 2.776 2.611 2.969 . 0 0 "[ . 1 . 2]" 1
995 2 69 LEU MD1 2 77 THR MG 2.400 . 5.700 3.485 3.278 3.615 . 0 0 "[ . 1 . 2]" 1
996 2 69 LEU MD1 2 79 PHE QE 2.400 . 6.200 1.981 1.886 2.148 . 0 0 "[ . 1 . 2]" 1
997 2 47 HIS HD2 2 69 LEU MD2 3.900 . 7.500 5.627 5.269 5.951 . 0 0 "[ . 1 . 2]" 1
998 2 55 GLN HB2 2 69 LEU MD2 2.900 . 4.800 3.009 2.683 3.358 . 0 0 "[ . 1 . 2]" 1
999 2 69 LEU MD2 2 77 THR HB 3.400 . 6.500 4.676 4.503 4.818 . 0 0 "[ . 1 . 2]" 1
1000 2 69 LEU MD2 2 79 PHE QE 3.400 . 8.500 3.914 3.581 4.181 . 0 0 "[ . 1 . 2]" 1
1001 2 47 HIS HD2 2 69 LEU HG 3.900 . 6.000 5.426 4.942 5.840 . 0 0 "[ . 1 . 2]" 1
1002 2 68 GLN HA 2 69 LEU HG 3.900 . 6.000 4.302 4.163 4.366 . 0 0 "[ . 1 . 2]" 1
1003 2 69 LEU HG 2 71 LEU MD2 3.400 . 6.500 4.964 4.827 5.109 . 0 0 "[ . 1 . 2]" 1
1004 2 69 LEU HG 2 77 THR HB 3.900 . 6.000 3.433 3.122 3.612 . 0 0 "[ . 1 . 2]" 1
1005 2 69 LEU HG 2 79 PHE QE 3.400 . 7.000 2.669 2.188 3.086 . 0 0 "[ . 1 . 2]" 1
1006 2 69 LEU HA 2 70 VAL HA 3.900 . 6.000 4.400 4.390 4.413 . 0 0 "[ . 1 . 2]" 1
1007 2 70 VAL HA 2 71 LEU MD1 3.900 . 7.500 5.528 5.483 5.558 . 0 0 "[ . 1 . 2]" 1
1008 2 70 VAL HA 2 71 LEU MD2 3.900 . 7.500 3.545 3.470 3.615 . 0 0 "[ . 1 . 2]" 1
1009 2 70 VAL HA 2 76 THR HA 2.900 . 3.300 2.534 2.470 2.577 . 0 0 "[ . 1 . 2]" 1
1010 2 70 VAL HA 2 76 THR HB 3.400 . 5.000 4.331 4.079 4.453 . 0 0 "[ . 1 . 2]" 1
1011 2 53 LYS QE 2 70 VAL HB 3.900 . 7.000 4.599 3.053 5.891 . 0 0 "[ . 1 . 2]" 1
1012 2 70 VAL HB 2 76 THR HA 3.900 . 6.000 5.409 5.338 5.479 . 0 0 "[ . 1 . 2]" 1
1013 2 53 LYS HB3 2 70 VAL MG1 3.400 . 6.500 2.596 2.194 2.933 . 0 0 "[ . 1 . 2]" 1
1014 2 53 LYS QE 2 70 VAL MG1 2.900 . 5.800 2.943 1.995 4.263 . 0 0 "[ . 1 . 2]" 1
1015 2 55 GLN HA 2 70 VAL MG1 3.900 . 7.500 5.238 5.004 5.412 . 0 0 "[ . 1 . 2]" 1
1016 2 69 LEU HA 2 70 VAL MG1 3.900 . 7.500 5.507 5.445 5.527 . 0 0 "[ . 1 . 2]" 1
1017 2 70 VAL MG1 2 71 LEU HA 3.900 . 7.500 4.069 3.961 4.177 . 0 0 "[ . 1 . 2]" 1
1018 2 70 VAL MG1 2 74 GLY QA 3.900 . 8.500 2.603 2.379 2.828 . 0 0 "[ . 1 . 2]" 1
1019 2 70 VAL MG1 2 76 THR HA 3.400 . 6.500 4.310 4.205 4.547 . 0 0 "[ . 1 . 2]" 1
1020 2 70 VAL MG1 2 76 THR MG 2.400 . 5.700 2.792 2.654 3.083 . 0 0 "[ . 1 . 2]" 1
1021 2 54 CYS HB3 2 70 VAL MG2 3.900 . 7.500 5.724 5.535 5.919 . 0 0 "[ . 1 . 2]" 1
1022 2 70 VAL MG2 2 76 THR HA 3.400 . 6.500 3.544 3.393 3.647 . 0 0 "[ . 1 . 2]" 1
1023 2 70 VAL MG2 2 76 THR HB 3.400 . 6.500 3.787 3.497 3.999 . 0 0 "[ . 1 . 2]" 1
1024 2 70 VAL MG2 2 76 THR MG 2.400 . 5.700 1.647 1.485 1.805 0.315 3 0 "[ . 1 . 2]" 1
1025 2 52 ILE HA 2 71 LEU HB3 3.900 . 6.000 3.657 3.541 3.829 . 0 0 "[ . 1 . 2]" 1
1026 2 71 LEU HB3 2 75 ASP HB2 3.900 . 6.000 3.249 3.219 3.270 . 0 0 "[ . 1 . 2]" 1
1027 2 52 ILE HA 2 71 LEU HB2 3.900 . 6.000 4.713 4.605 4.904 . 0 0 "[ . 1 . 2]" 1
1028 2 71 LEU HB2 2 75 ASP HB2 3.400 . 5.000 1.810 1.788 1.841 0.012 8 0 "[ . 1 . 2]" 1
1029 2 47 HIS HE1 2 71 LEU MD1 2.400 . 4.200 2.219 2.126 2.341 . 0 0 "[ . 1 . 2]" 1
1030 2 52 ILE HA 2 71 LEU MD1 2.900 . 4.800 3.959 3.936 3.987 . 0 0 "[ . 1 . 2]" 1
1031 2 71 LEU MD1 2 75 ASP HB3 2.400 . 4.200 3.278 3.246 3.306 . 0 0 "[ . 1 . 2]" 1
1032 2 71 LEU MD1 2 75 ASP HB2 2.400 . 4.200 2.528 2.488 2.590 . 0 0 "[ . 1 . 2]" 1
1033 2 71 LEU MD1 2 76 THR HA 3.400 . 6.500 5.240 5.188 5.289 . 0 0 "[ . 1 . 2]" 1
1034 2 47 HIS HD2 2 71 LEU MD2 3.400 . 6.500 4.316 4.201 4.463 . 0 0 "[ . 1 . 2]" 1
1035 2 47 HIS HE1 2 71 LEU MD2 2.900 . 4.800 3.865 3.829 3.892 . 0 0 "[ . 1 . 2]" 1
1036 2 51 ASP HB2 2 71 LEU MD2 3.400 . 6.500 3.417 3.094 4.441 . 0 0 "[ . 1 . 2]" 1
1037 2 52 ILE MD 2 71 LEU MD2 3.400 . 8.000 3.316 3.208 3.557 . 0 0 "[ . 1 . 2]" 1
1038 2 71 LEU MD2 2 76 THR HA 2.900 . 4.800 3.969 3.936 4.021 . 0 0 "[ . 1 . 2]" 1
1039 2 71 LEU MD2 2 77 THR HB 3.900 . 7.500 4.547 4.247 4.755 . 0 0 "[ . 1 . 2]" 1
1040 2 47 HIS HD2 2 71 LEU HG 3.900 . 6.000 6.118 6.086 6.165 0.165 9 0 "[ . 1 . 2]" 1
1041 2 47 HIS HE1 2 71 LEU HG 3.400 . 5.000 4.049 3.825 4.168 . 0 0 "[ . 1 . 2]" 1
1042 2 52 ILE HA 2 71 LEU HG 3.400 . 5.000 4.750 4.685 4.824 . 0 0 "[ . 1 . 2]" 1
1043 2 71 LEU HG 2 75 ASP HB3 3.400 . 5.000 3.210 3.139 3.249 . 0 0 "[ . 1 . 2]" 1
1044 2 71 LEU HG 2 75 ASP HB2 3.400 . 5.000 1.769 1.750 1.788 0.050 7 0 "[ . 1 . 2]" 1
1045 2 71 LEU HG 2 76 THR HA 3.400 . 5.000 3.917 3.856 3.984 . 0 0 "[ . 1 . 2]" 1
1046 2 53 LYS HA 2 72 HIS HA 3.400 . 5.000 3.922 3.600 4.409 . 0 0 "[ . 1 . 2]" 1
1047 2 71 LEU HA 2 72 HIS HA 3.900 . 6.000 4.268 4.256 4.284 . 0 0 "[ . 1 . 2]" 1
1048 2 71 LEU MD2 2 72 HIS HA 3.900 . 7.500 5.584 5.559 5.608 . 0 0 "[ . 1 . 2]" 1
1049 2 51 ASP HA 2 72 HIS HB3 3.900 . 6.000 5.581 5.245 6.010 0.010 20 0 "[ . 1 . 2]" 1
1050 2 53 LYS HB3 2 72 HIS HB3 3.900 . 6.000 5.875 5.389 6.047 0.047 4 0 "[ . 1 . 2]" 1
1051 2 53 LYS HB2 2 72 HIS HB3 3.900 . 6.000 4.249 4.110 4.525 . 0 0 "[ . 1 . 2]" 1
1052 2 53 LYS QG 2 72 HIS HB3 3.900 . 7.000 5.215 4.763 5.924 . 0 0 "[ . 1 . 2]" 1
1053 2 71 LEU HA 2 72 HIS HB3 3.900 . 6.000 5.936 5.910 5.967 . 0 0 "[ . 1 . 2]" 1
1054 2 72 HIS HB3 2 73 ALA MB 3.900 . 7.500 4.462 4.409 4.544 . 0 0 "[ . 1 . 2]" 1
1055 2 51 ASP HA 2 72 HIS HB2 3.900 . 6.000 4.344 3.941 4.856 . 0 0 "[ . 1 . 2]" 1
1056 2 53 LYS HB2 2 72 HIS HB2 3.900 . 6.000 4.621 4.454 4.951 . 0 0 "[ . 1 . 2]" 1
1057 2 71 LEU HA 2 72 HIS HB2 3.900 . 6.000 4.959 4.881 5.090 . 0 0 "[ . 1 . 2]" 1
1058 2 72 HIS HB2 2 73 ALA MB 3.900 . 7.500 3.999 3.903 4.049 . 0 0 "[ . 1 . 2]" 1
1059 2 52 ILE HA 2 72 HIS HD2 3.900 . 6.000 5.582 5.030 5.832 . 0 0 "[ . 1 . 2]" 1
1060 2 71 LEU HA 2 72 HIS HD2 3.900 . 6.000 5.874 5.242 6.052 0.052 5 0 "[ . 1 . 2]" 1
1061 2 72 HIS HB2 2 73 ALA HA 3.900 . 6.000 4.546 4.468 4.664 . 0 0 "[ . 1 . 2]" 1
1062 2 73 ALA MB 2 74 GLY QA 3.900 . 8.500 3.927 3.848 4.089 . 0 0 "[ . 1 . 2]" 1
1063 2 74 GLY QA 2 75 ASP HB3 3.900 . 7.000 5.608 5.567 5.650 . 0 0 "[ . 1 . 2]" 1
1064 2 75 ASP HA 2 76 THR HA 3.900 . 6.000 4.460 4.443 4.479 . 0 0 "[ . 1 . 2]" 1
1065 2 75 ASP HA 2 76 THR MG 3.400 . 6.500 3.787 3.488 3.964 . 0 0 "[ . 1 . 2]" 1
1066 2 71 LEU HB2 2 75 ASP HB3 2.900 . 3.300 3.399 3.378 3.423 0.123 14 0 "[ . 1 . 2]" 1
1067 2 71 LEU MD2 2 75 ASP HB3 3.400 . 6.500 4.725 4.664 4.758 . 0 0 "[ . 1 . 2]" 1
1068 2 75 ASP HB3 2 76 THR HA 3.900 . 6.000 4.774 4.732 4.821 . 0 0 "[ . 1 . 2]" 1
1069 2 71 LEU MD2 2 75 ASP HB2 3.400 . 6.500 3.476 3.449 3.490 . 0 0 "[ . 1 . 2]" 1
1070 2 75 ASP HB2 2 76 THR HA 3.900 . 6.000 4.189 4.160 4.225 . 0 0 "[ . 1 . 2]" 1
1071 2 76 THR HA 2 77 THR HB 3.900 . 6.000 4.926 4.834 4.957 . 0 0 "[ . 1 . 2]" 1
1072 2 70 VAL MG1 2 76 THR HB 3.400 . 6.500 5.331 5.304 5.406 . 0 0 "[ . 1 . 2]" 1
1073 2 71 LEU MD2 2 76 THR HB 3.900 . 7.500 6.108 5.994 6.152 . 0 0 "[ . 1 . 2]" 1
1074 2 76 THR HB 2 77 THR MG 3.900 . 7.500 5.773 5.604 5.884 . 0 0 "[ . 1 . 2]" 1
1075 2 70 VAL HA 2 76 THR MG 2.400 . 4.200 2.301 2.209 2.393 . 0 0 "[ . 1 . 2]" 1
1076 2 45 ILE MD 2 77 THR HA 3.400 . 6.500 5.100 4.803 5.265 . 0 0 "[ . 1 . 2]" 1
1077 2 47 HIS HD2 2 77 THR HA 3.900 . 6.000 5.712 5.481 5.901 . 0 0 "[ . 1 . 2]" 1
1078 2 71 LEU MD2 2 77 THR HA 3.900 . 7.500 5.784 5.588 5.976 . 0 0 "[ . 1 . 2]" 1
1079 2 76 THR HA 2 77 THR HA 3.900 . 6.000 4.393 4.377 4.431 . 0 0 "[ . 1 . 2]" 1
1080 2 76 THR MG 2 77 THR HA 3.400 . 6.500 5.401 5.284 5.516 . 0 0 "[ . 1 . 2]" 1
1081 2 77 THR HA 2 79 PHE QE 3.900 . 8.000 5.308 5.205 5.419 . 0 0 "[ . 1 . 2]" 1
1082 2 47 HIS HD2 2 77 THR HB 3.900 . 6.000 3.711 3.577 4.084 . 0 0 "[ . 1 . 2]" 1
1083 2 77 THR HB 2 79 PHE QE 3.900 . 8.000 2.925 2.719 3.060 . 0 0 "[ . 1 . 2]" 1
1084 2 77 THR HB 2 79 PHE HZ 3.900 . 6.000 3.639 3.304 3.912 . 0 0 "[ . 1 . 2]" 1
1085 2 19 GLN QG 2 77 THR MG 2.400 . 5.200 3.094 2.700 3.797 . 0 0 "[ . 1 . 2]" 1
1086 2 77 THR MG 2 79 PHE QE 3.400 . 8.500 2.952 2.895 3.005 . 0 0 "[ . 1 . 2]" 1
1087 2 77 THR MG 2 79 PHE HZ 2.400 . 4.200 2.471 2.362 2.586 . 0 0 "[ . 1 . 2]" 1
1088 2 77 THR HA 2 78 ASN HA 3.900 . 6.000 4.406 4.390 4.426 . 0 0 "[ . 1 . 2]" 1
1089 2 77 THR HB 2 78 ASN HA 3.900 . 6.000 4.703 4.606 4.808 . 0 0 "[ . 1 . 2]" 1
1090 2 78 ASN HA 2 79 PHE HB2 3.900 . 6.000 4.468 4.403 4.526 . 0 0 "[ . 1 . 2]" 1
1091 2 78 ASN HA 2 79 PHE QD 3.900 . 8.000 4.445 4.272 4.565 . 0 0 "[ . 1 . 2]" 1
1092 2 68 GLN HA 2 78 ASN HB3 3.900 . 6.000 5.012 4.716 5.168 . 0 0 "[ . 1 . 2]" 1
1093 2 68 GLN HA 2 78 ASN HB2 3.900 . 6.000 5.201 5.059 5.344 . 0 0 "[ . 1 . 2]" 1
1094 2 67 LEU MD2 2 79 PHE HA 3.900 . 7.500 5.915 5.783 6.097 . 0 0 "[ . 1 . 2]" 1
1095 2 26 LEU MD1 2 79 PHE HB3 3.900 . 7.500 3.208 3.025 3.454 . 0 0 "[ . 1 . 2]" 1
1096 2 79 PHE HB3 2 81 PHE QE 3.900 . 8.000 4.344 4.160 4.737 . 0 0 "[ . 1 . 2]" 1
1097 2 26 LEU MD1 2 79 PHE HB2 3.900 . 7.500 3.975 3.804 4.190 . 0 0 "[ . 1 . 2]" 1
1098 2 79 PHE HB2 2 81 PHE QE 3.900 . 8.000 3.844 3.369 4.277 . 0 0 "[ . 1 . 2]" 1
1099 2 26 LEU MD1 2 79 PHE QD 3.900 . 9.500 2.885 2.789 3.000 . 0 0 "[ . 1 . 2]" 1
1100 2 26 LEU MD1 2 79 PHE QE 3.900 . 9.500 2.936 2.851 3.055 . 0 0 "[ . 1 . 2]" 1
1101 2 33 ILE MD 2 79 PHE QE 3.400 . 8.500 2.578 2.381 2.737 . 0 0 "[ . 1 . 2]" 1
1102 2 45 ILE MG 2 79 PHE QE 3.400 . 8.500 2.643 2.448 2.754 . 0 0 "[ . 1 . 2]" 1
1103 2 33 ILE MD 2 79 PHE HZ 3.900 . 7.500 3.896 3.523 4.197 . 0 0 "[ . 1 . 2]" 1
1104 2 33 ILE QG 2 79 PHE HZ 3.900 . 7.000 3.772 3.467 4.028 . 0 0 "[ . 1 . 2]" 1
1105 2 35 TRP HB3 2 79 PHE HZ 3.900 . 6.000 3.727 3.493 4.009 . 0 0 "[ . 1 . 2]" 1
1106 2 35 TRP HB2 2 79 PHE HZ 3.900 . 6.000 3.566 3.399 3.837 . 0 0 "[ . 1 . 2]" 1
1107 2 47 HIS HD2 2 79 PHE HZ 3.900 . 6.000 3.125 2.860 3.363 . 0 0 "[ . 1 . 2]" 1
1108 2 17 VAL MG1 2 80 HIS HA 3.900 . 7.500 4.161 3.988 4.270 . 0 0 "[ . 1 . 2]" 1
1109 2 79 PHE HA 2 80 HIS HA 3.900 . 6.000 4.416 4.405 4.438 . 0 0 "[ . 1 . 2]" 1
1110 2 80 HIS HA 2 81 PHE HA 3.900 . 6.000 4.383 4.367 4.401 . 0 0 "[ . 1 . 2]" 1
1111 2 80 HIS HA 2 81 PHE QD 3.900 . 8.000 3.545 3.306 3.719 . 0 0 "[ . 1 . 2]" 1
1112 2 17 VAL MG1 2 80 HIS HB3 3.900 . 7.500 4.120 3.969 4.286 . 0 0 "[ . 1 . 2]" 1
1113 2 18 ARG HB3 2 80 HIS HB3 3.900 . 6.000 3.340 2.901 3.823 . 0 0 "[ . 1 . 2]" 1
1114 2 18 ARG HB2 2 80 HIS HB3 3.400 . 5.000 2.223 1.790 2.657 0.010 13 0 "[ . 1 . 2]" 1
1115 2 17 VAL MG1 2 80 HIS HB2 3.900 . 7.500 5.040 4.885 5.249 . 0 0 "[ . 1 . 2]" 1
1116 2 18 ARG HB3 2 80 HIS HB2 3.900 . 6.000 4.740 4.243 5.239 . 0 0 "[ . 1 . 2]" 1
1117 2 18 ARG HB2 2 80 HIS HB2 3.400 . 5.000 3.789 3.387 4.246 . 0 0 "[ . 1 . 2]" 1
1118 2 79 PHE HA 2 80 HIS HB2 3.900 . 6.000 4.752 4.632 4.902 . 0 0 "[ . 1 . 2]" 1
1119 2 80 HIS HD2 2 81 PHE QD 3.900 . 8.000 4.298 4.159 4.457 . 0 0 "[ . 1 . 2]" 1
1120 2 80 HIS HD2 2 82 SER HA 3.900 . 6.000 3.793 3.380 4.155 . 0 0 "[ . 1 . 2]" 1
1121 2 17 VAL HB 2 81 PHE HA 3.400 . 5.000 4.952 4.804 5.052 0.052 13 0 "[ . 1 . 2]" 1
1122 2 66 GLN HA 2 81 PHE HA 3.900 . 6.000 5.141 4.966 5.288 . 0 0 "[ . 1 . 2]" 1
1123 2 66 GLN QG 2 81 PHE HA 3.900 . 7.000 5.202 4.863 5.369 . 0 0 "[ . 1 . 2]" 1
1124 2 79 PHE HB3 2 81 PHE HA 3.900 . 6.000 5.383 5.232 5.484 . 0 0 "[ . 1 . 2]" 1
1125 2 81 PHE HA 2 82 SER HB3 3.900 . 6.000 5.213 5.114 5.284 . 0 0 "[ . 1 . 2]" 1
1126 2 81 PHE HB3 2 87 ALA HA 3.400 . 5.000 2.299 2.018 2.526 . 0 0 "[ . 1 . 2]" 1
1127 2 81 PHE HB3 2 87 ALA MB 3.400 . 6.500 2.913 2.677 3.136 . 0 0 "[ . 1 . 2]" 1
1128 2 14 VAL MG1 2 81 PHE HB2 3.900 . 7.500 5.134 4.894 5.484 . 0 0 "[ . 1 . 2]" 1
1129 2 65 ILE HB 2 81 PHE HB2 3.900 . 6.000 3.168 2.890 3.468 . 0 0 "[ . 1 . 2]" 1
1130 2 65 ILE MG 2 81 PHE HB2 3.400 . 6.500 3.587 3.327 3.899 . 0 0 "[ . 1 . 2]" 1
1131 2 81 PHE HB2 2 87 ALA HA 3.400 . 5.000 3.319 3.095 3.526 . 0 0 "[ . 1 . 2]" 1
1132 2 81 PHE HB2 2 87 ALA MB 3.400 . 6.500 2.708 2.499 3.006 . 0 0 "[ . 1 . 2]" 1
1133 2 17 VAL MG1 2 81 PHE QD 3.400 . 8.500 4.038 3.896 4.151 . 0 0 "[ . 1 . 2]" 1
1134 2 65 ILE HA 2 81 PHE QD 3.900 . 8.000 5.020 4.800 5.152 . 0 0 "[ . 1 . 2]" 1
1135 2 81 PHE QD 2 87 ALA HA 3.900 . 8.000 3.750 3.379 4.067 . 0 0 "[ . 1 . 2]" 1
1136 2 81 PHE QD 2 87 ALA MB 3.900 . 9.500 4.278 4.071 4.481 . 0 0 "[ . 1 . 2]" 1
1137 2 81 PHE QD 2 90 GLU HB3 3.400 . 7.000 3.054 2.763 3.314 . 0 0 "[ . 1 . 2]" 1
1138 2 81 PHE QD 2 90 GLU HB2 3.400 . 7.000 2.723 2.275 3.061 . 0 0 "[ . 1 . 2]" 1
1139 2 26 LEU MD1 2 81 PHE QE 3.900 . 9.500 5.247 5.079 5.509 . 0 0 "[ . 1 . 2]" 1
1140 2 66 GLN HA 2 81 PHE QE 3.900 . 8.000 3.024 2.784 3.221 . 0 0 "[ . 1 . 2]" 1
1141 2 81 PHE QE 2 90 GLU HA 3.900 . 8.000 4.745 4.492 4.971 . 0 0 "[ . 1 . 2]" 1
1142 2 81 PHE QE 2 91 ARG HA 3.900 . 8.000 2.835 2.745 2.904 . 0 0 "[ . 1 . 2]" 1
1143 2 26 LEU MD1 2 81 PHE HZ 3.900 . 7.500 5.351 5.055 5.646 . 0 0 "[ . 1 . 2]" 1
1144 2 79 PHE HB2 2 81 PHE HZ 3.900 . 6.000 4.416 3.953 4.722 . 0 0 "[ . 1 . 2]" 1
1145 2 81 PHE HZ 2 91 ARG HA 3.900 . 6.000 2.628 2.551 2.762 . 0 0 "[ . 1 . 2]" 1
1146 2 81 PHE HZ 2 94 VAL HA 3.900 . 6.000 5.290 5.055 5.416 . 0 0 "[ . 1 . 2]" 1
1147 2 81 PHE HZ 2 94 VAL HB 3.900 . 6.000 2.481 2.173 2.625 . 0 0 "[ . 1 . 2]" 1
1148 2 81 PHE HZ 2 94 VAL MG1 2.900 . 4.800 2.882 2.676 3.103 . 0 0 "[ . 1 . 2]" 1
1149 2 81 PHE HZ 2 94 VAL MG2 2.900 . 4.800 2.480 2.323 2.666 . 0 0 "[ . 1 . 2]" 1
1150 2 80 HIS HE1 2 82 SER HA 3.400 . 5.000 3.824 3.176 4.197 . 0 0 "[ . 1 . 2]" 1
1151 2 81 PHE HB3 2 82 SER HA 3.900 . 6.000 5.122 5.024 5.221 . 0 0 "[ . 1 . 2]" 1
1152 2 81 PHE HB2 2 82 SER HA 3.900 . 6.000 5.083 5.019 5.183 . 0 0 "[ . 1 . 2]" 1
1153 2 81 PHE QD 2 82 SER HA 3.900 . 8.000 6.188 6.154 6.234 . 0 0 "[ . 1 . 2]" 1
1154 2 82 SER HA 2 83 ASN HA 3.900 . 6.000 4.622 4.488 4.738 . 0 0 "[ . 1 . 2]" 1
1155 2 17 VAL MG1 2 82 SER HB3 3.900 . 7.500 5.980 5.873 6.136 . 0 0 "[ . 1 . 2]" 1
1156 2 18 ARG QG 2 82 SER HB3 3.400 . 6.000 3.070 2.222 3.953 . 0 0 "[ . 1 . 2]" 1
1157 2 80 HIS HD2 2 82 SER HB3 3.900 . 6.000 4.492 3.972 4.738 . 0 0 "[ . 1 . 2]" 1
1158 2 80 HIS HE1 2 82 SER HB3 3.900 . 6.000 3.019 2.584 3.485 . 0 0 "[ . 1 . 2]" 1
1159 2 17 VAL MG2 2 82 SER HB2 3.900 . 7.500 6.182 6.160 6.211 . 0 0 "[ . 1 . 2]" 1
1160 2 18 ARG QG 2 82 SER HB2 3.400 . 6.000 3.527 2.911 4.188 . 0 0 "[ . 1 . 2]" 1
1161 2 80 HIS HD2 2 82 SER HB2 3.900 . 6.000 5.888 5.385 6.051 0.051 2 0 "[ . 1 . 2]" 1
1162 2 80 HIS HE1 2 82 SER HB2 3.400 . 5.000 4.492 4.032 5.006 0.006 6 0 "[ . 1 . 2]" 1
1163 2 16 LYS QD 2 83 ASN HA 3.400 . 6.000 3.023 1.822 4.294 . 0 0 "[ . 1 . 2]" 1
1164 2 16 LYS QG 2 83 ASN HA 3.400 . 6.000 3.725 2.760 4.460 . 0 0 "[ . 1 . 2]" 1
1165 2 83 ASN HA 2 87 ALA MB 3.900 . 7.500 4.511 4.376 4.729 . 0 0 "[ . 1 . 2]" 1
1166 2 16 LYS HB3 2 83 ASN HB3 3.400 . 5.000 4.359 3.897 5.007 0.007 17 0 "[ . 1 . 2]" 1
1167 2 16 LYS HB2 2 83 ASN HB3 3.400 . 5.000 3.794 3.500 4.364 . 0 0 "[ . 1 . 2]" 1
1168 2 16 LYS QD 2 83 ASN HB3 3.900 . 7.000 5.169 4.429 6.152 . 0 0 "[ . 1 . 2]" 1
1169 2 16 LYS QG 2 83 ASN HB3 3.900 . 7.000 5.407 4.831 6.229 . 0 0 "[ . 1 . 2]" 1
1170 2 83 ASN HB3 2 86 THR MG 3.900 . 7.500 5.649 5.111 6.108 . 0 0 "[ . 1 . 2]" 1
1171 2 83 ASN HB3 2 87 ALA MB 3.900 . 7.500 3.586 3.305 3.994 . 0 0 "[ . 1 . 2]" 1
1172 2 16 LYS HB3 2 83 ASN HB2 3.400 . 5.000 2.882 2.357 3.485 . 0 0 "[ . 1 . 2]" 1
1173 2 16 LYS HB2 2 83 ASN HB2 3.400 . 5.000 2.152 1.788 2.886 0.012 1 0 "[ . 1 . 2]" 1
1174 2 16 LYS QD 2 83 ASN HB2 3.400 . 6.000 4.057 3.353 4.900 . 0 0 "[ . 1 . 2]" 1
1175 2 16 LYS QG 2 83 ASN HB2 3.900 . 7.000 4.048 3.326 4.926 . 0 0 "[ . 1 . 2]" 1
1176 2 83 ASN HB2 2 87 ALA MB 3.900 . 7.500 4.698 4.372 5.221 . 0 0 "[ . 1 . 2]" 1
1177 2 83 ASN HA 2 84 GLU HA 3.900 . 6.000 4.462 4.407 4.516 . 0 0 "[ . 1 . 2]" 1
1178 2 83 ASN HB3 2 84 GLU HA 3.900 . 6.000 5.193 5.081 5.347 . 0 0 "[ . 1 . 2]" 1
1179 2 84 GLU HA 2 87 ALA MB 2.400 . 4.200 3.066 2.528 3.340 . 0 0 "[ . 1 . 2]" 1
1180 2 83 ASN HA 2 84 GLU QB 3.900 . 7.000 4.485 4.379 4.789 . 0 0 "[ . 1 . 2]" 1
1181 2 84 GLU QB 2 85 SER HA 3.400 . 6.000 4.130 3.673 4.451 . 0 0 "[ . 1 . 2]" 1
1182 2 84 GLU QG 2 85 SER HA 3.900 . 7.000 4.823 3.221 5.935 . 0 0 "[ . 1 . 2]" 1
1183 2 85 SER HA 2 86 THR MG 3.400 . 6.500 4.383 4.290 4.462 . 0 0 "[ . 1 . 2]" 1
1184 2 84 GLU QB 2 85 SER QB 3.900 . 8.000 4.977 4.598 5.428 . 0 0 "[ . 1 . 2]" 1
1185 2 84 GLU QG 2 85 SER QB 3.900 . 8.000 5.319 3.433 6.431 . 0 0 "[ . 1 . 2]" 1
1186 2 85 SER QB 2 86 THR HA 3.400 . 6.000 4.176 4.125 4.285 . 0 0 "[ . 1 . 2]" 1
1187 2 85 SER QB 2 86 THR MG 2.400 . 5.200 3.255 3.072 3.395 . 0 0 "[ . 1 . 2]" 1
1188 2 83 ASN HB3 2 86 THR HA 3.900 . 6.000 5.423 4.858 5.834 . 0 0 "[ . 1 . 2]" 1
1189 2 86 THR HA 2 87 ALA HA 3.900 . 6.000 4.821 4.768 4.885 . 0 0 "[ . 1 . 2]" 1
1190 2 86 THR HA 2 89 LYS QB 3.400 . 6.000 3.158 2.526 3.971 . 0 0 "[ . 1 . 2]" 1
1191 2 86 THR HA 2 89 LYS QG 3.900 . 7.000 4.276 3.273 5.678 . 0 0 "[ . 1 . 2]" 1
1192 2 86 THR HA 2 90 GLU QG 3.900 . 7.000 4.377 4.017 4.764 . 0 0 "[ . 1 . 2]" 1
1193 2 86 THR HB 2 89 LYS QB 3.400 . 6.000 2.405 1.847 3.104 . 0 0 "[ . 1 . 2]" 1
1194 2 86 THR HB 2 89 LYS QG 3.900 . 7.000 4.243 3.535 4.968 . 0 0 "[ . 1 . 2]" 1
1195 2 86 THR HB 2 90 GLU HA 3.900 . 6.000 4.435 4.196 4.893 . 0 0 "[ . 1 . 2]" 1
1196 2 86 THR HB 2 90 GLU HB2 3.900 . 6.000 4.037 3.689 5.200 . 0 0 "[ . 1 . 2]" 1
1197 2 86 THR HB 2 90 GLU QG 2.400 . 3.700 2.067 1.589 2.802 0.211 4 0 "[ . 1 . 2]" 1
1198 2 80 HIS HD2 2 87 ALA MB 3.900 . 7.500 4.688 4.515 5.119 . 0 0 "[ . 1 . 2]" 1
1199 2 87 ALA MB 2 88 VAL MG2 2.900 . 6.300 2.896 2.744 3.092 . 0 0 "[ . 1 . 2]" 1
1200 2 87 ALA MB 2 88 VAL HA 2.900 . 4.800 3.740 3.702 3.792 . 0 0 "[ . 1 . 2]" 1
1201 2 88 VAL HA 2 91 ARG HB3 3.400 . 5.000 2.776 2.448 3.426 . 0 0 "[ . 1 . 2]" 1
1202 2 65 ILE MD 2 88 VAL HB 2.900 . 4.800 3.898 3.835 3.998 . 0 0 "[ . 1 . 2]" 1
1203 2 65 ILE MD 2 88 VAL MG1 2.400 . 5.700 3.819 3.686 3.883 . 0 0 "[ . 1 . 2]" 1
1204 2 88 VAL MG1 2 89 LYS HA 2.900 . 4.800 3.249 2.949 3.402 . 0 0 "[ . 1 . 2]" 1
1205 2 88 VAL MG1 2 92 ASP HB3 3.400 . 6.500 5.155 4.679 5.355 . 0 0 "[ . 1 . 2]" 1
1206 2 88 VAL MG1 2 92 ASP HB2 3.400 . 6.500 4.041 3.471 4.312 . 0 0 "[ . 1 . 2]" 1
1207 2 65 ILE HB 2 88 VAL MG2 3.400 . 6.500 3.559 3.159 4.108 . 0 0 "[ . 1 . 2]" 1
1208 2 87 ALA HA 2 88 VAL MG2 3.900 . 7.500 4.973 4.901 5.130 . 0 0 "[ . 1 . 2]" 1
1209 2 89 LYS HA 2 92 ASP HB3 3.400 . 5.000 4.301 3.625 4.957 . 0 0 "[ . 1 . 2]" 1
1210 2 89 LYS HA 2 92 ASP HB2 2.900 . 3.300 2.716 1.967 3.328 0.028 13 0 "[ . 1 . 2]" 1
1211 2 81 PHE QD 2 90 GLU HA 3.900 . 8.000 5.103 4.923 5.302 . 0 0 "[ . 1 . 2]" 1
1212 2 90 GLU HA 2 93 ALA HA 3.400 . 5.000 5.023 4.936 5.094 0.094 9 0 "[ . 1 . 2]" 1
1213 2 90 GLU HA 2 93 ALA MB 2.400 . 4.200 2.398 2.286 2.532 . 0 0 "[ . 1 . 2]" 1
1214 2 81 PHE QE 2 90 GLU HB3 3.900 . 8.000 3.089 2.775 3.441 . 0 0 "[ . 1 . 2]" 1
1215 2 81 PHE HZ 2 90 GLU HB3 3.900 . 6.000 5.305 4.974 5.648 . 0 0 "[ . 1 . 2]" 1
1216 2 14 VAL HA 2 90 GLU HB2 3.400 . 5.000 5.045 4.711 5.194 0.194 20 0 "[ . 1 . 2]" 1
1217 2 81 PHE QE 2 90 GLU HB2 3.900 . 8.000 3.789 3.197 4.346 . 0 0 "[ . 1 . 2]" 1
1218 2 87 ALA HA 2 90 GLU HB2 3.400 . 5.000 3.293 3.002 3.582 . 0 0 "[ . 1 . 2]" 1
1219 2 81 PHE QD 2 90 GLU QG 3.900 . 9.000 4.448 3.513 4.701 . 0 0 "[ . 1 . 2]" 1
1220 2 87 ALA HA 2 90 GLU QG 3.900 . 7.000 4.395 3.049 4.606 . 0 0 "[ . 1 . 2]" 1
1221 2 87 ALA MB 2 90 GLU QG 3.400 . 7.500 5.388 4.320 5.520 . 0 0 "[ . 1 . 2]" 1
1222 2 81 PHE QD 2 91 ARG HA 3.900 . 8.000 3.656 3.430 3.852 . 0 0 "[ . 1 . 2]" 1
1223 2 88 VAL HA 2 91 ARG HA 3.900 . 6.000 5.455 4.938 6.032 0.032 20 0 "[ . 1 . 2]" 1
1224 2 90 GLU HA 2 91 ARG HA 3.900 . 6.000 4.813 4.764 4.866 . 0 0 "[ . 1 . 2]" 1
1225 2 91 ARG HA 2 92 ASP HA 3.900 . 6.000 4.775 4.708 4.842 . 0 0 "[ . 1 . 2]" 1
1226 2 91 ARG HA 2 94 VAL HB 3.400 . 5.000 3.199 2.874 3.492 . 0 0 "[ . 1 . 2]" 1
1227 2 91 ARG HA 2 94 VAL MG1 3.400 . 6.500 4.537 4.278 4.803 . 0 0 "[ . 1 . 2]" 1
1228 2 81 PHE QD 2 91 ARG HB3 3.900 . 8.000 4.621 4.282 4.992 . 0 0 "[ . 1 . 2]" 1
1229 2 81 PHE QE 2 91 ARG HB3 3.900 . 8.000 4.729 4.555 4.887 . 0 0 "[ . 1 . 2]" 1
1230 2 81 PHE QD 2 91 ARG HB2 3.900 . 8.000 3.150 2.803 3.682 . 0 0 "[ . 1 . 2]" 1
1231 2 81 PHE QE 2 91 ARG HB2 3.900 . 8.000 3.621 3.312 4.050 . 0 0 "[ . 1 . 2]" 1
1232 2 88 VAL HA 2 91 ARG HB2 3.900 . 6.000 3.401 2.530 4.058 . 0 0 "[ . 1 . 2]" 1
1233 2 65 ILE MG 2 91 ARG QD 3.400 . 7.500 2.739 1.695 3.150 0.105 14 0 "[ . 1 . 2]" 1
1234 2 81 PHE QD 2 91 ARG QD 3.900 . 9.000 4.851 4.096 5.219 . 0 0 "[ . 1 . 2]" 1
1235 2 81 PHE QE 2 91 ARG QD 3.900 . 9.000 4.322 4.009 4.755 . 0 0 "[ . 1 . 2]" 1
1236 2 91 ARG QD 2 92 ASP HA 3.900 . 7.000 3.308 2.778 4.739 . 0 0 "[ . 1 . 2]" 1
1237 2 57 ILE HB 2 91 ARG QG 3.900 . 7.000 3.624 3.397 3.892 . 0 0 "[ . 1 . 2]" 1
1238 2 81 PHE QD 2 91 ARG QG 3.900 . 9.000 3.134 2.951 3.337 . 0 0 "[ . 1 . 2]" 1
1239 2 81 PHE QE 2 91 ARG QG 3.900 . 9.000 2.553 2.312 2.875 . 0 0 "[ . 1 . 2]" 1
1240 2 88 VAL HA 2 91 ARG QG 3.900 . 7.000 4.272 3.640 5.229 . 0 0 "[ . 1 . 2]" 1
1241 2 92 ASP HA 2 95 LYS HA 3.900 . 6.000 4.928 4.675 5.209 . 0 0 "[ . 1 . 2]" 1
1242 2 92 ASP HA 2 95 LYS HB3 2.400 . 2.700 2.042 1.758 2.345 0.042 1 0 "[ . 1 . 2]" 1
1243 2 92 ASP HA 2 95 LYS HB2 3.400 . 5.000 3.293 2.671 3.893 . 0 0 "[ . 1 . 2]" 1
1244 2 92 ASP HA 2 95 LYS QE 2.900 . 4.300 3.384 2.090 4.122 . 0 0 "[ . 1 . 2]" 1
1245 2 92 ASP HB2 2 93 ALA MB 3.900 . 7.500 4.319 4.120 4.538 . 0 0 "[ . 1 . 2]" 1
1246 2 92 ASP HB2 2 95 LYS QD 3.900 . 7.000 5.181 4.204 6.197 . 0 0 "[ . 1 . 2]" 1
1247 2 93 ALA HA 2 94 VAL MG2 3.900 . 7.500 4.923 4.836 5.022 . 0 0 "[ . 1 . 2]" 1
1248 2 93 ALA HA 2 96 ASP HB3 3.400 . 5.000 4.642 4.382 4.718 . 0 0 "[ . 1 . 2]" 1
1249 2 93 ALA HA 2 96 ASP HB2 2.900 . 3.300 3.274 2.939 3.364 0.064 9 0 "[ . 1 . 2]" 1
1250 2 12 LEU MD1 2 93 ALA MB 2.400 . 5.700 2.139 2.057 2.247 . 0 0 "[ . 1 . 2]" 1
1251 2 12 LEU MD2 2 93 ALA MB 2.400 . 5.700 2.099 1.896 2.335 . 0 0 "[ . 1 . 2]" 1
1252 2 90 GLU QG 2 93 ALA MB 3.400 . 7.500 3.913 3.657 4.834 . 0 0 "[ . 1 . 2]" 1
1253 2 93 ALA MB 2 94 VAL MG2 2.400 . 5.700 2.968 2.888 3.085 . 0 0 "[ . 1 . 2]" 1
1254 2 93 ALA MB 2 96 ASP HB2 3.400 . 6.500 4.779 4.507 4.855 . 0 0 "[ . 1 . 2]" 1
1255 2 81 PHE QE 2 94 VAL HA 3.900 . 8.000 5.535 5.230 5.678 . 0 0 "[ . 1 . 2]" 1
1256 2 94 VAL HA 2 95 LYS HA 3.900 . 6.000 4.819 4.797 4.838 . 0 0 "[ . 1 . 2]" 1
1257 2 94 VAL HA 2 97 LEU HA 3.900 . 6.000 5.627 5.470 5.765 . 0 0 "[ . 1 . 2]" 1
1258 2 94 VAL HA 2 97 LEU QB 3.400 . 6.000 2.848 2.653 3.070 . 0 0 "[ . 1 . 2]" 1
1259 2 81 PHE QE 2 94 VAL HB 3.900 . 8.000 3.546 3.221 3.713 . 0 0 "[ . 1 . 2]" 1
1260 2 26 LEU MD1 2 94 VAL MG1 3.400 . 8.000 4.024 3.875 4.116 . 0 0 "[ . 1 . 2]" 1
1261 2 26 LEU MD2 2 94 VAL MG1 2.400 . 5.700 2.172 2.083 2.258 . 0 0 "[ . 1 . 2]" 1
1262 2 81 PHE QE 2 94 VAL MG1 3.400 . 8.500 3.814 3.617 3.971 . 0 0 "[ . 1 . 2]" 1
1263 2 94 VAL MG1 2 95 LYS HA 3.400 . 6.500 3.469 3.253 3.676 . 0 0 "[ . 1 . 2]" 1
1264 2 94 VAL MG1 2 98 LEU HG 2.900 . 4.800 2.556 2.414 2.704 . 0 0 "[ . 1 . 2]" 1
1265 2 14 VAL HA 2 94 VAL MG2 3.900 . 7.500 4.812 4.614 4.928 . 0 0 "[ . 1 . 2]" 1
1266 2 26 LEU HB3 2 94 VAL MG2 3.900 . 7.500 3.601 3.392 3.884 . 0 0 "[ . 1 . 2]" 1
1267 2 26 LEU MD1 2 94 VAL MG2 3.400 . 8.000 4.448 4.231 4.597 . 0 0 "[ . 1 . 2]" 1
1268 2 81 PHE QD 2 94 VAL MG2 3.900 . 9.500 4.198 3.982 4.356 . 0 0 "[ . 1 . 2]" 1
1269 2 81 PHE QE 2 94 VAL MG2 2.400 . 6.200 2.238 1.970 2.408 . 0 0 "[ . 1 . 2]" 1
1270 2 90 GLU HA 2 94 VAL MG2 3.900 . 7.500 4.005 3.814 4.254 . 0 0 "[ . 1 . 2]" 1
1271 2 91 ARG HA 2 94 VAL MG2 3.400 . 6.500 3.415 3.151 3.690 . 0 0 "[ . 1 . 2]" 1
1272 2 94 VAL MG2 2 95 LYS HA 3.900 . 7.500 5.341 5.298 5.379 . 0 0 "[ . 1 . 2]" 1
1273 2 95 LYS HA 2 98 LEU HA 3.900 . 6.000 5.589 5.438 5.724 . 0 0 "[ . 1 . 2]" 1
1274 2 95 LYS HA 2 98 LEU HB2 3.400 . 5.000 2.751 2.609 2.925 . 0 0 "[ . 1 . 2]" 1
1275 2 95 LYS HA 2 98 LEU MD1 3.400 . 6.500 2.975 2.663 3.282 . 0 0 "[ . 1 . 2]" 1
1276 2 67 LEU MD1 2 95 LYS HB2 3.400 . 6.500 2.596 2.244 2.923 . 0 0 "[ . 1 . 2]" 1
1277 2 67 LEU MD2 2 95 LYS HB2 3.900 . 7.500 4.642 4.296 4.943 . 0 0 "[ . 1 . 2]" 1
1278 2 92 ASP HA 2 95 LYS QD 3.900 . 7.000 2.728 1.889 3.833 . 0 0 "[ . 1 . 2]" 1
1279 2 92 ASP HA 2 95 LYS QG 3.900 . 7.000 3.595 3.257 4.236 . 0 0 "[ . 1 . 2]" 1
1280 2 95 LYS QG 2 96 ASP HA 3.900 . 7.000 3.362 2.913 4.168 . 0 0 "[ . 1 . 2]" 1
1281 2 95 LYS QG 2 99 GLN QG 3.900 . 8.000 3.692 3.434 4.032 . 0 0 "[ . 1 . 2]" 1
1282 2 96 ASP HA 2 99 GLN HB3 3.400 . 5.000 4.525 4.419 4.640 . 0 0 "[ . 1 . 2]" 1
1283 2 96 ASP HA 2 99 GLN HB2 3.400 . 5.000 4.470 4.337 4.599 . 0 0 "[ . 1 . 2]" 1
1284 2 96 ASP HB3 2 97 LEU QB 3.400 . 6.000 4.538 4.395 4.863 . 0 0 "[ . 1 . 2]" 1
1285 2 12 LEU MD2 2 97 LEU HA 3.400 . 6.500 5.259 5.224 5.307 . 0 0 "[ . 1 . 2]" 1
1286 2 97 LEU HA 2 100 GLN HB3 2.900 . 3.300 3.416 3.370 3.523 0.223 13 0 "[ . 1 . 2]" 1
1287 2 97 LEU HA 2 100 GLN QG 3.400 . 6.000 2.832 2.607 3.153 . 0 0 "[ . 1 . 2]" 1
1288 2 97 LEU HA 2 101 LEU MD1 3.400 . 6.500 4.186 3.784 4.591 . 0 0 "[ . 1 . 2]" 1
1289 2 12 LEU MD2 2 97 LEU QB 3.400 . 7.500 2.695 2.642 2.778 . 0 0 "[ . 1 . 2]" 1
1290 2 95 LYS HA 2 97 LEU QB 3.900 . 7.000 5.461 5.361 5.569 . 0 0 "[ . 1 . 2]" 1
1291 2 97 LEU QB 2 98 LEU HA 3.900 . 7.000 4.029 3.796 4.200 . 0 0 "[ . 1 . 2]" 1
1292 2 97 LEU QB 2 101 LEU MD1 2.900 . 5.800 3.353 2.439 3.759 . 0 0 "[ . 1 . 2]" 1
1293 2 11 LEU HA 2 97 LEU QD 3.400 . 8.900 4.675 4.265 5.636 . 0 0 "[ . 1 . 2]" 1
1294 2 94 VAL HA 2 97 LEU QD 3.400 . 8.900 3.782 3.607 4.113 . 0 0 "[ . 1 . 2]" 1
1295 2 97 LEU QD 2 100 GLN HB3 3.400 . 8.900 3.016 2.680 4.252 . 0 0 "[ . 1 . 2]" 1
1296 2 97 LEU QD 2 101 LEU MD1 2.400 . 8.100 2.367 1.936 2.552 . 0 0 "[ . 1 . 2]" 1
1297 2 12 LEU MD2 2 97 LEU HG 3.400 . 6.500 4.296 2.884 4.604 . 0 0 "[ . 1 . 2]" 1
1298 2 28 LEU MD1 2 97 LEU HG 3.400 . 6.500 3.174 2.921 3.896 . 0 0 "[ . 1 . 2]" 1
1299 2 97 LEU HG 2 101 LEU MD1 2.900 . 4.800 2.155 1.824 3.626 . 0 0 "[ . 1 . 2]" 1
1300 2 49 TYR QE 2 98 LEU HA 3.900 . 8.000 4.249 3.977 4.531 . 0 0 "[ . 1 . 2]" 1
1301 2 98 LEU HA 2 99 GLN HA 3.400 . 5.000 4.814 4.776 4.866 . 0 0 "[ . 1 . 2]" 1
1302 2 98 LEU HA 2 101 LEU MD1 3.400 . 6.500 3.677 3.465 3.912 . 0 0 "[ . 1 . 2]" 1
1303 2 98 LEU HA 2 101 LEU HG 3.900 . 6.000 4.677 4.461 4.877 . 0 0 "[ . 1 . 2]" 1
1304 2 98 LEU HA 2 102 LEU HG 3.900 . 6.000 2.946 2.778 3.174 . 0 0 "[ . 1 . 2]" 1
1305 2 49 TYR QE 2 98 LEU HB3 3.900 . 8.000 5.420 5.164 5.569 . 0 0 "[ . 1 . 2]" 1
1306 2 95 LYS HA 2 98 LEU HB3 3.900 . 6.000 4.257 4.124 4.458 . 0 0 "[ . 1 . 2]" 1
1307 2 98 LEU HB3 2 99 GLN HA 3.900 . 6.000 4.067 4.029 4.091 . 0 0 "[ . 1 . 2]" 1
1308 2 98 LEU HB2 2 99 GLN HA 3.900 . 6.000 4.803 4.768 4.825 . 0 0 "[ . 1 . 2]" 1
1309 2 49 TYR QE 2 98 LEU MD1 3.400 . 8.500 4.152 4.066 4.281 . 0 0 "[ . 1 . 2]" 1
1310 2 55 GLN HA 2 98 LEU MD1 3.900 . 7.500 4.526 4.139 4.917 . 0 0 "[ . 1 . 2]" 1
1311 2 94 VAL HA 2 98 LEU MD1 3.900 . 7.500 4.540 4.384 4.764 . 0 0 "[ . 1 . 2]" 1
1312 2 49 TYR QE 2 98 LEU MD2 2.400 . 6.200 2.081 1.955 2.187 . 0 0 "[ . 1 . 2]" 1
1313 2 95 LYS HA 2 98 LEU MD2 3.900 . 7.500 5.171 5.008 5.308 . 0 0 "[ . 1 . 2]" 1
1314 2 49 TYR QE 2 98 LEU HG 3.900 . 8.000 4.186 3.810 4.464 . 0 0 "[ . 1 . 2]" 1
1315 2 95 LYS HA 2 98 LEU HG 3.900 . 6.000 4.213 4.013 4.348 . 0 0 "[ . 1 . 2]" 1
1316 2 99 GLN HA 2 102 LEU MD1 2.900 . 4.800 3.130 2.776 3.483 . 0 0 "[ . 1 . 2]" 1
1317 2 99 GLN HA 2 103 PRO QD 3.400 . 6.000 2.928 2.744 3.073 . 0 0 "[ . 1 . 2]" 1
1318 2 98 LEU HB3 2 99 GLN HB2 3.900 . 6.000 6.076 6.037 6.116 0.116 7 0 "[ . 1 . 2]" 1
1319 2 96 ASP HA 2 99 GLN QG 3.400 . 6.000 2.083 1.997 2.223 . 0 0 "[ . 1 . 2]" 1
1320 2 100 GLN HB3 2 101 LEU MD1 3.400 . 6.500 4.464 4.180 4.839 . 0 0 "[ . 1 . 2]" 1
1321 2 97 LEU QD 2 100 GLN QG 3.400 . 9.900 3.056 2.771 3.510 . 0 0 "[ . 1 . 2]" 1
1322 2 49 TYR QD 2 101 LEU HA 3.900 . 8.000 4.835 4.626 5.194 . 0 0 "[ . 1 . 2]" 1
1323 2 98 LEU HA 2 101 LEU HA 3.900 . 6.000 5.400 5.264 5.515 . 0 0 "[ . 1 . 2]" 1
1324 2 101 LEU HA 2 104 LYS QB 3.400 . 6.000 2.982 2.097 4.626 . 0 0 "[ . 1 . 2]" 1
1325 2 101 LEU HA 2 104 LYS QE 3.900 . 7.000 3.613 2.056 5.574 . 0 0 "[ . 1 . 2]" 1
1326 2 101 LEU HA 2 105 PHE QD 3.400 . 7.000 3.773 2.630 5.011 . 0 0 "[ . 1 . 2]" 1
1327 2 98 LEU HA 2 101 LEU HB3 3.400 . 5.000 4.662 4.277 4.917 . 0 0 "[ . 1 . 2]" 1
1328 2 100 GLN HB3 2 101 LEU HB3 3.900 . 6.000 5.588 5.351 5.846 . 0 0 "[ . 1 . 2]" 1
1329 2 101 LEU HB3 2 103 PRO QD 3.900 . 7.000 5.074 4.769 5.337 . 0 0 "[ . 1 . 2]" 1
1330 2 101 LEU HB3 2 104 LYS QE 3.900 . 7.000 4.934 3.910 6.019 . 0 0 "[ . 1 . 2]" 1
1331 2 101 LEU HB3 2 105 PHE QD 3.900 . 8.000 3.131 1.851 4.323 . 0 0 "[ . 1 . 2]" 1
1332 2 98 LEU HA 2 101 LEU HB2 3.400 . 5.000 2.997 2.771 3.183 . 0 0 "[ . 1 . 2]" 1
1333 2 100 GLN HB3 2 101 LEU HB2 3.900 . 6.000 4.869 4.713 5.094 . 0 0 "[ . 1 . 2]" 1
1334 2 101 LEU HB2 2 105 PHE QD 3.900 . 8.000 4.575 3.448 5.689 . 0 0 "[ . 1 . 2]" 1
1335 2 100 GLN QG 2 101 LEU MD1 3.900 . 8.500 5.405 5.108 5.849 . 0 0 "[ . 1 . 2]" 1
1336 2 101 LEU MD1 2 103 PRO QD 3.900 . 8.500 5.833 5.676 6.060 . 0 0 "[ . 1 . 2]" 1
1337 2 101 LEU MD1 2 105 PHE QD 3.900 . 9.500 4.951 3.765 5.901 . 0 0 "[ . 1 . 2]" 1
1338 2 101 LEU MD1 2 105 PHE QE 3.400 . 8.500 4.049 2.609 4.737 . 0 0 "[ . 1 . 2]" 1
1339 2 98 LEU HA 2 101 LEU MD2 3.400 . 6.500 5.505 5.441 5.555 . 0 0 "[ . 1 . 2]" 1
1340 2 100 GLN HB3 2 101 LEU MD2 3.900 . 7.500 4.006 3.406 4.438 . 0 0 "[ . 1 . 2]" 1
1341 2 101 LEU MD2 2 104 LYS QE 3.400 . 7.500 3.024 1.986 3.971 . 0 0 "[ . 1 . 2]" 1
1342 2 101 LEU MD2 2 105 PHE QE 2.400 . 6.200 2.348 1.506 3.533 0.294 19 0 "[ . 1 . 2]" 1
1343 2 49 TYR QE 2 101 LEU HG 3.900 . 8.000 4.724 4.467 5.149 . 0 0 "[ . 1 . 2]" 1
1344 2 100 GLN HB3 2 101 LEU HG 3.400 . 5.000 3.120 2.804 3.550 . 0 0 "[ . 1 . 2]" 1
1345 2 101 LEU HG 2 105 PHE QE 3.900 . 8.000 4.907 3.996 6.082 . 0 0 "[ . 1 . 2]" 1
1346 2 49 TYR QD 2 102 LEU HA 3.900 . 8.000 3.543 3.088 3.888 . 0 0 "[ . 1 . 2]" 1
1347 2 102 LEU HA 2 103 PRO QD 3.900 . 7.000 3.574 3.529 3.602 . 0 0 "[ . 1 . 2]" 1
1348 2 102 LEU HA 2 105 PHE QD 3.900 . 8.000 3.960 2.861 4.469 . 0 0 "[ . 1 . 2]" 1
1349 2 102 LEU HB3 2 103 PRO HA 3.900 . 6.000 4.165 4.038 4.366 . 0 0 "[ . 1 . 2]" 1
1350 2 102 LEU HB3 2 103 PRO QD 3.400 . 6.000 2.865 2.567 3.209 . 0 0 "[ . 1 . 2]" 1
1351 2 102 LEU HB2 2 103 PRO QD 3.400 . 6.000 2.072 1.820 2.372 . 0 0 "[ . 1 . 2]" 1
1352 2 55 GLN HB2 2 102 LEU MD1 2.400 . 4.200 3.731 3.680 3.776 . 0 0 "[ . 1 . 2]" 1
1353 2 102 LEU MD1 2 103 PRO QD 3.400 . 7.500 3.740 3.575 3.946 . 0 0 "[ . 1 . 2]" 1
1354 2 55 GLN HA 2 102 LEU MD2 3.900 . 7.500 5.566 5.284 5.834 . 0 0 "[ . 1 . 2]" 1
1355 2 102 LEU HG 2 103 PRO QD 3.400 . 6.000 4.088 3.957 4.182 . 0 0 "[ . 1 . 2]" 1
1356 2 102 LEU MD1 2 103 PRO HA 3.900 . 7.500 5.876 5.762 6.062 . 0 0 "[ . 1 . 2]" 1
1357 2 102 LEU MD2 2 103 PRO HA 3.900 . 7.500 5.334 5.094 5.586 . 0 0 "[ . 1 . 2]" 1
1358 2 103 PRO HA 2 106 LYS QB 2.400 . 3.700 2.383 1.413 3.260 0.387 17 0 "[ . 1 . 2]" 1
1359 2 103 PRO HA 2 106 LYS QE 3.400 . 6.000 3.375 1.794 4.832 0.006 16 0 "[ . 1 . 2]" 1
1360 2 103 PRO HA 2 106 LYS QG 2.900 . 4.300 3.269 1.500 3.997 0.300 6 0 "[ . 1 . 2]" 1
1361 2 101 LEU HB2 2 103 PRO QD 3.900 . 7.000 4.690 4.420 4.922 . 0 0 "[ . 1 . 2]" 1
1362 2 102 LEU MD2 2 103 PRO QD 3.400 . 7.500 4.264 4.154 4.402 . 0 0 "[ . 1 . 2]" 1
1363 2 103 PRO HA 2 104 LYS HA 3.900 . 6.000 4.771 4.684 4.862 . 0 0 "[ . 1 . 2]" 1
1364 2 103 PRO QB 2 104 LYS HA 3.900 . 7.000 4.005 3.715 4.191 . 0 0 "[ . 1 . 2]" 1
1365 2 103 PRO QG 2 104 LYS HA 3.900 . 7.000 4.404 3.991 5.640 . 0 0 "[ . 1 . 2]" 1
1366 2 104 LYS HA 2 105 PHE QD 3.900 . 8.000 5.082 4.507 5.668 . 0 0 "[ . 1 . 2]" 1
1367 2 104 LYS QB 2 105 PHE QD 3.400 . 8.000 3.126 2.334 4.586 . 0 0 "[ . 1 . 2]" 1
1368 2 101 LEU HA 2 104 LYS QD 3.400 . 6.000 3.424 1.974 4.743 . 0 0 "[ . 1 . 2]" 1
1369 2 104 LYS QD 2 105 PHE QE 3.400 . 8.000 3.251 2.165 5.195 . 0 0 "[ . 1 . 2]" 1
1370 2 104 LYS QE 2 105 PHE QE 2.400 . 5.700 3.603 2.840 4.727 . 0 0 "[ . 1 . 2]" 1
1371 2 104 LYS QG 2 105 PHE QD 3.900 . 9.000 3.840 2.177 5.046 . 0 0 "[ . 1 . 2]" 1
1372 2 49 TYR HB2 2 105 PHE HA 3.900 . 6.000 4.985 4.590 5.431 . 0 0 "[ . 1 . 2]" 1
1373 2 49 TYR QD 2 105 PHE HA 3.900 . 8.000 5.687 5.055 6.566 . 0 0 "[ . 1 . 2]" 1
1374 2 104 LYS QB 2 105 PHE HA 3.900 . 7.000 4.286 3.760 4.621 . 0 0 "[ . 1 . 2]" 1
1375 2 104 LYS QG 2 105 PHE HA 3.900 . 7.000 4.423 3.482 5.920 . 0 0 "[ . 1 . 2]" 1
1376 2 105 PHE HA 2 106 LYS HA 3.400 . 5.000 4.674 4.436 4.988 . 0 0 "[ . 1 . 2]" 1
1377 2 49 TYR HB2 2 105 PHE HB3 3.400 . 5.000 3.150 2.054 3.869 . 0 0 "[ . 1 . 2]" 1
1378 2 49 TYR QD 2 105 PHE HB3 3.900 . 8.000 4.312 3.159 5.511 . 0 0 "[ . 1 . 2]" 1
1379 2 102 LEU MD2 2 105 PHE HB3 3.900 . 7.500 5.708 5.029 6.148 . 0 0 "[ . 1 . 2]" 1
1380 2 49 TYR HB2 2 105 PHE HB2 2.400 . 2.700 2.381 1.831 2.862 0.162 17 0 "[ . 1 . 2]" 1
1381 2 49 TYR QD 2 105 PHE HB2 3.900 . 8.000 3.530 2.513 4.576 . 0 0 "[ . 1 . 2]" 1
1382 2 50 ALA HA 2 105 PHE HB2 3.400 . 5.000 3.979 2.644 4.944 . 0 0 "[ . 1 . 2]" 1
1383 2 50 ALA MB 2 105 PHE HB2 3.400 . 6.500 4.026 3.026 5.031 . 0 0 "[ . 1 . 2]" 1
1384 2 31 GLU HA 2 105 PHE QD 3.900 . 8.000 3.927 3.406 4.743 . 0 0 "[ . 1 . 2]" 1
1385 2 49 TYR HB2 2 105 PHE QD 3.400 . 7.000 2.876 1.605 3.662 0.195 13 0 "[ . 1 . 2]" 1
1386 2 101 LEU MD2 2 105 PHE QD 3.400 . 8.500 3.764 2.912 4.894 . 0 0 "[ . 1 . 2]" 1
1387 2 49 TYR QD 2 105 PHE QE 3.400 . 9.000 2.848 1.711 3.935 0.089 13 0 "[ . 1 . 2]" 1
1388 2 101 LEU HA 2 105 PHE QE 3.900 . 8.000 3.828 2.797 4.726 . 0 0 "[ . 1 . 2]" 1
1389 2 104 LYS QB 2 105 PHE QE 3.900 . 9.000 3.574 2.547 4.857 . 0 0 "[ . 1 . 2]" 1
1390 2 30 ALA MB 2 105 PHE HZ 3.900 . 7.500 4.303 3.505 5.135 . 0 0 "[ . 1 . 2]" 1
1391 2 31 GLU HA 2 105 PHE HZ 3.400 . 5.000 3.310 1.770 4.593 0.030 3 0 "[ . 1 . 2]" 1
1392 2 31 GLU HB3 2 105 PHE HZ 3.900 . 6.000 4.207 1.860 6.116 0.116 19 0 "[ . 1 . 2]" 1
1393 2 31 GLU QG 2 105 PHE HZ 3.400 . 6.000 3.598 2.755 4.433 . 0 0 "[ . 1 . 2]" 1
1394 2 49 TYR QD 2 105 PHE HZ 3.400 . 7.000 4.376 3.406 5.075 . 0 0 "[ . 1 . 2]" 1
1395 2 101 LEU MD1 2 105 PHE HZ 3.900 . 7.500 5.546 4.292 6.138 . 0 0 "[ . 1 . 2]" 1
1396 2 101 LEU MD2 2 105 PHE HZ 3.400 . 6.500 3.859 2.498 4.890 . 0 0 "[ . 1 . 2]" 1
1397 2 103 PRO HA 2 106 LYS QD 2.900 . 4.300 2.959 1.963 3.983 . 0 0 "[ . 1 . 2]" 1
1398 2 3 MET QB 2 4 ALA H 3.900 . 7.000 2.621 1.589 4.042 0.211 5 0 "[ . 1 . 2]" 1
1399 2 4 ALA MB 2 5 THR H 3.900 . 7.500 2.659 1.768 3.709 0.032 1 0 "[ . 1 . 2]" 1
1400 2 7 SER HA 2 8 GLU H 2.900 . 3.500 2.478 2.125 3.084 . 0 0 "[ . 1 . 2]" 1
1401 2 7 SER QB 2 8 GLU H 3.400 . 6.000 3.281 1.915 3.903 . 0 0 "[ . 1 . 2]" 1
1402 2 8 GLU H 2 9 GLU H 3.400 . 5.000 4.501 4.348 4.601 . 0 0 "[ . 1 . 2]" 1
1403 2 8 GLU H 2 10 VAL MG2 3.900 . 7.500 4.835 3.562 5.616 . 0 0 "[ . 1 . 2]" 1
1404 2 8 GLU H 2 29 MET HA 3.900 . 6.000 5.993 5.649 6.234 0.234 3 0 "[ . 1 . 2]" 1
1405 2 8 GLU H 2 29 MET HB3 3.900 . 6.000 3.907 3.385 4.436 . 0 0 "[ . 1 . 2]" 1
1406 2 8 GLU H 2 30 ALA MB 3.900 . 7.500 5.759 4.939 6.174 . 0 0 "[ . 1 . 2]" 1
1407 2 7 SER QB 2 9 GLU H 3.900 . 7.000 5.967 5.008 6.328 . 0 0 "[ . 1 . 2]" 1
1408 2 8 GLU HA 2 9 GLU H 2.400 . 2.900 2.464 2.105 2.598 . 0 0 "[ . 1 . 2]" 1
1409 2 9 GLU H 2 10 VAL MG2 3.900 . 7.500 5.086 4.883 5.382 . 0 0 "[ . 1 . 2]" 1
1410 2 9 GLU H 2 11 LEU MD2 3.900 . 7.500 5.121 4.519 5.941 . 0 0 "[ . 1 . 2]" 1
1411 2 9 GLU H 2 29 MET HB3 3.900 . 6.000 4.400 3.618 5.421 . 0 0 "[ . 1 . 2]" 1
1412 2 9 GLU H 2 30 ALA MB 3.400 . 6.500 3.415 2.813 4.058 . 0 0 "[ . 1 . 2]" 1
1413 2 9 GLU HA 2 10 VAL H 2.400 . 2.900 2.154 2.111 2.219 . 0 0 "[ . 1 . 2]" 1
1414 2 9 GLU QG 2 10 VAL H 3.400 . 6.000 4.156 2.637 4.475 . 0 0 "[ . 1 . 2]" 1
1415 2 10 VAL H 2 11 LEU H 3.900 . 6.000 4.320 4.174 4.500 . 0 0 "[ . 1 . 2]" 1
1416 2 10 VAL H 2 12 LEU H 3.900 . 6.000 5.925 5.764 6.018 0.018 17 0 "[ . 1 . 2]" 1
1417 2 10 VAL H 2 29 MET HA 3.900 . 6.000 4.728 4.508 5.175 . 0 0 "[ . 1 . 2]" 1
1418 2 10 VAL H 2 29 MET HB3 3.900 . 6.000 5.049 4.684 5.704 . 0 0 "[ . 1 . 2]" 1
1419 2 10 VAL H 2 30 ALA H 3.900 . 6.000 5.260 4.859 5.838 . 0 0 "[ . 1 . 2]" 1
1420 2 10 VAL HA 2 11 LEU H 3.400 . 5.000 2.145 2.132 2.178 . 0 0 "[ . 1 . 2]" 1
1421 2 10 VAL HB 2 11 LEU H 3.400 . 5.000 4.261 4.058 4.375 . 0 0 "[ . 1 . 2]" 1
1422 2 10 VAL MG2 2 11 LEU H 3.400 . 6.500 4.252 4.135 4.298 . 0 0 "[ . 1 . 2]" 1
1423 2 11 LEU H 2 12 LEU H 3.400 . 5.000 2.323 2.075 2.554 . 0 0 "[ . 1 . 2]" 1
1424 2 11 LEU H 2 28 LEU QB 3.900 . 7.000 3.785 3.700 3.996 . 0 0 "[ . 1 . 2]" 1
1425 2 11 LEU H 2 28 LEU H 3.900 . 6.000 4.626 4.374 4.880 . 0 0 "[ . 1 . 2]" 1
1426 2 11 LEU H 2 29 MET HA 3.400 . 5.000 2.390 2.205 2.555 . 0 0 "[ . 1 . 2]" 1
1427 2 11 LEU H 2 29 MET HB3 3.900 . 6.000 4.494 4.357 4.645 . 0 0 "[ . 1 . 2]" 1
1428 2 11 LEU H 2 29 MET QG 3.900 . 7.000 4.358 3.603 5.039 . 0 0 "[ . 1 . 2]" 1
1429 2 11 LEU H 2 29 MET H 3.900 . 6.000 4.535 4.448 4.645 . 0 0 "[ . 1 . 2]" 1
1430 2 11 LEU H 2 30 ALA H 3.900 . 6.000 3.924 3.589 4.224 . 0 0 "[ . 1 . 2]" 1
1431 2 10 VAL HA 2 12 LEU H 3.400 . 5.000 3.626 3.476 3.807 . 0 0 "[ . 1 . 2]" 1
1432 2 10 VAL HB 2 12 LEU H 3.900 . 6.000 4.767 4.570 5.030 . 0 0 "[ . 1 . 2]" 1
1433 2 10 VAL MG1 2 12 LEU H 2.400 . 4.400 2.637 2.317 2.935 . 0 0 "[ . 1 . 2]" 1
1434 2 10 VAL MG2 2 12 LEU H 3.400 . 6.500 4.971 4.868 5.080 . 0 0 "[ . 1 . 2]" 1
1435 2 12 LEU H 2 13 ILE QG 3.900 . 7.000 4.096 3.989 4.230 . 0 0 "[ . 1 . 2]" 1
1436 2 12 LEU H 2 13 ILE H 3.400 . 5.000 4.332 4.222 4.435 . 0 0 "[ . 1 . 2]" 1
1437 2 12 LEU H 2 27 TYR HA 3.400 . 5.000 4.615 4.515 4.736 . 0 0 "[ . 1 . 2]" 1
1438 2 12 LEU H 2 28 LEU H 3.400 . 5.000 3.040 2.820 3.160 . 0 0 "[ . 1 . 2]" 1
1439 2 12 LEU H 2 29 MET HA 3.400 . 5.000 4.099 3.943 4.158 . 0 0 "[ . 1 . 2]" 1
1440 2 12 LEU H 2 29 MET HB3 3.900 . 6.000 6.222 6.155 6.296 0.296 8 0 "[ . 1 . 2]" 1
1441 2 12 LEU H 2 29 MET H 3.900 . 6.000 5.024 4.976 5.127 . 0 0 "[ . 1 . 2]" 1
1442 2 12 LEU HA 2 13 ILE H 2.400 . 2.900 2.164 2.134 2.194 . 0 0 "[ . 1 . 2]" 1
1443 2 12 LEU HB3 2 13 ILE H 3.400 . 5.000 3.941 3.779 4.104 . 0 0 "[ . 1 . 2]" 1
1444 2 12 LEU MD1 2 13 ILE H 2.900 . 5.000 2.975 2.751 3.151 . 0 0 "[ . 1 . 2]" 1
1445 2 13 ILE H 2 14 VAL H 3.400 . 5.000 4.166 4.034 4.274 . 0 0 "[ . 1 . 2]" 1
1446 2 13 ILE H 2 27 TYR HA 3.900 . 6.000 5.005 4.816 5.110 . 0 0 "[ . 1 . 2]" 1
1447 2 13 ILE HA 2 14 VAL H 2.900 . 3.500 2.126 2.106 2.148 . 0 0 "[ . 1 . 2]" 1
1448 2 13 ILE QG 2 14 VAL H 3.400 . 6.000 4.188 4.070 4.293 . 0 0 "[ . 1 . 2]" 1
1449 2 13 ILE MG 2 14 VAL H 2.900 . 5.000 2.993 2.815 3.104 . 0 0 "[ . 1 . 2]" 1
1450 2 14 VAL H 2 15 LYS H 3.900 . 6.000 4.449 4.263 4.527 . 0 0 "[ . 1 . 2]" 1
1451 2 14 VAL H 2 17 VAL MG2 3.400 . 6.500 4.660 4.374 4.923 . 0 0 "[ . 1 . 2]" 1
1452 2 14 VAL H 2 26 LEU H 3.400 . 5.000 3.604 3.255 3.774 . 0 0 "[ . 1 . 2]" 1
1453 2 14 VAL H 2 27 TYR HA 3.400 . 5.000 3.134 2.987 3.294 . 0 0 "[ . 1 . 2]" 1
1454 2 14 VAL H 2 27 TYR HB3 3.900 . 6.000 5.223 4.941 5.620 . 0 0 "[ . 1 . 2]" 1
1455 2 14 VAL H 2 27 TYR QD 3.900 . 8.000 4.042 3.619 4.652 . 0 0 "[ . 1 . 2]" 1
1456 2 13 ILE MG 2 15 LYS H 3.400 . 6.500 4.321 3.789 4.545 . 0 0 "[ . 1 . 2]" 1
1457 2 14 VAL HA 2 15 LYS H 2.400 . 2.900 2.237 2.146 2.308 . 0 0 "[ . 1 . 2]" 1
1458 2 14 VAL MG1 2 15 LYS H 2.900 . 5.000 2.454 2.192 2.926 . 0 0 "[ . 1 . 2]" 1
1459 2 14 VAL MG2 2 15 LYS H 3.400 . 6.500 4.045 3.899 4.218 . 0 0 "[ . 1 . 2]" 1
1460 2 15 LYS H 2 17 VAL MG2 3.400 . 6.500 3.810 3.510 4.153 . 0 0 "[ . 1 . 2]" 1
1461 2 15 LYS H 2 25 ALA HA 3.900 . 6.000 5.200 4.882 5.470 . 0 0 "[ . 1 . 2]" 1
1462 2 15 LYS H 2 26 LEU H 3.900 . 6.000 4.803 4.581 5.051 . 0 0 "[ . 1 . 2]" 1
1463 2 13 ILE MG 2 16 LYS H 3.900 . 7.500 6.195 6.099 6.266 . 0 0 "[ . 1 . 2]" 1
1464 2 15 LYS HA 2 16 LYS H 2.900 . 3.500 2.372 2.293 2.476 . 0 0 "[ . 1 . 2]" 1
1465 2 15 LYS HB3 2 16 LYS H 3.400 . 5.000 2.432 2.126 2.546 . 0 0 "[ . 1 . 2]" 1
1466 2 15 LYS HB2 2 16 LYS H 3.400 . 5.000 3.696 3.176 3.883 . 0 0 "[ . 1 . 2]" 1
1467 2 16 LYS H 2 17 VAL MG2 3.400 . 6.500 3.929 3.808 4.055 . 0 0 "[ . 1 . 2]" 1
1468 2 16 LYS H 2 17 VAL H 3.400 . 5.000 3.156 3.064 3.333 . 0 0 "[ . 1 . 2]" 1
1469 2 16 LYS H 2 24 GLY H 3.900 . 6.000 5.048 4.610 5.400 . 0 0 "[ . 1 . 2]" 1
1470 2 16 LYS H 2 25 ALA HA 3.400 . 5.000 3.538 3.254 3.776 . 0 0 "[ . 1 . 2]" 1
1471 2 16 LYS H 2 26 LEU H 3.900 . 6.000 5.166 4.957 5.346 . 0 0 "[ . 1 . 2]" 1
1472 2 16 LYS H 2 83 ASN HB2 3.900 . 6.000 4.682 4.365 5.027 . 0 0 "[ . 1 . 2]" 1
1473 2 16 LYS HA 2 17 VAL H 2.900 . 3.500 2.405 2.265 2.491 . 0 0 "[ . 1 . 2]" 1
1474 2 16 LYS HB3 2 17 VAL H 3.400 . 5.000 4.246 4.138 4.306 . 0 0 "[ . 1 . 2]" 1
1475 2 16 LYS HB2 2 17 VAL H 3.900 . 6.000 4.519 4.435 4.567 . 0 0 "[ . 1 . 2]" 1
1476 2 16 LYS QG 2 17 VAL H 3.400 . 6.000 4.395 4.183 4.729 . 0 0 "[ . 1 . 2]" 1
1477 2 17 VAL H 2 18 ARG HA 3.900 . 6.000 4.715 4.603 4.825 . 0 0 "[ . 1 . 2]" 1
1478 2 17 VAL H 2 24 GLY QA 3.400 . 6.000 3.886 3.587 4.126 . 0 0 "[ . 1 . 2]" 1
1479 2 17 VAL H 2 24 GLY H 3.400 . 5.000 2.789 2.212 3.296 . 0 0 "[ . 1 . 2]" 1
1480 2 17 VAL H 2 25 ALA HA 3.400 . 5.000 2.844 2.501 3.296 . 0 0 "[ . 1 . 2]" 1
1481 2 17 VAL H 2 26 LEU H 3.900 . 6.000 4.516 4.278 4.797 . 0 0 "[ . 1 . 2]" 1
1482 2 17 VAL H 2 35 TRP HD1 3.900 . 6.000 5.122 4.973 5.375 . 0 0 "[ . 1 . 2]" 1
1483 2 17 VAL H 2 35 TRP HE1 3.400 . 5.000 3.585 3.392 3.820 . 0 0 "[ . 1 . 2]" 1
1484 2 17 VAL H 2 83 ASN HB2 3.900 . 6.000 5.469 5.256 5.737 . 0 0 "[ . 1 . 2]" 1
1485 2 17 VAL HA 2 18 ARG H 2.900 . 3.500 2.151 2.125 2.192 . 0 0 "[ . 1 . 2]" 1
1486 2 17 VAL MG1 2 18 ARG H 2.900 . 5.000 2.765 2.551 3.047 . 0 0 "[ . 1 . 2]" 1
1487 2 17 VAL H 2 18 ARG H 3.900 . 6.000 4.268 4.101 4.393 . 0 0 "[ . 1 . 2]" 1
1488 2 18 ARG H 2 19 GLN H 3.900 . 6.000 4.460 4.392 4.501 . 0 0 "[ . 1 . 2]" 1
1489 2 18 ARG H 2 79 PHE HA 3.900 . 6.000 4.853 4.515 5.182 . 0 0 "[ . 1 . 2]" 1
1490 2 18 ARG H 2 80 HIS HB3 3.400 . 5.000 2.824 2.561 3.242 . 0 0 "[ . 1 . 2]" 1
1491 2 18 ARG H 2 80 HIS H 3.900 . 6.000 3.320 2.946 3.631 . 0 0 "[ . 1 . 2]" 1
1492 2 18 ARG H 2 81 PHE HA 3.900 . 6.000 3.884 3.599 4.035 . 0 0 "[ . 1 . 2]" 1
1493 2 18 ARG H 2 82 SER HB3 3.900 . 6.000 4.103 3.606 4.551 . 0 0 "[ . 1 . 2]" 1
1494 2 18 ARG H 2 82 SER H 3.400 . 5.000 2.959 2.726 3.481 . 0 0 "[ . 1 . 2]" 1
1495 2 19 GLN QE 2 20 LYS HB3 3.900 . 7.000 4.532 3.672 6.357 . 0 0 "[ . 1 . 2]" 1
1496 2 19 GLN QE 2 20 LYS QE 3.900 . 8.000 5.298 3.201 6.397 . 0 0 "[ . 1 . 2]" 1
1497 2 19 GLN QE 2 20 LYS QG 3.900 . 8.000 3.483 1.769 4.854 0.031 19 0 "[ . 1 . 2]" 1
1498 2 19 GLN QE 2 20 LYS H 3.900 . 7.000 4.136 2.541 5.014 . 0 0 "[ . 1 . 2]" 1
1499 2 19 GLN QE 2 35 TRP HZ3 3.900 . 7.000 4.870 2.827 6.349 . 0 0 "[ . 1 . 2]" 1
1500 2 19 GLN QE 2 45 ILE MD 3.900 . 8.500 3.205 2.078 4.530 . 0 0 "[ . 1 . 2]" 1
1501 2 19 GLN QE 2 78 ASN H 3.900 . 7.000 4.295 2.646 6.181 . 0 0 "[ . 1 . 2]" 1
1502 2 18 ARG HA 2 19 GLN H 2.900 . 3.500 2.124 2.087 2.217 . 0 0 "[ . 1 . 2]" 1
1503 2 18 ARG HB3 2 19 GLN H 3.400 . 5.000 3.134 2.795 3.493 . 0 0 "[ . 1 . 2]" 1
1504 2 18 ARG HB2 2 19 GLN H 3.400 . 5.000 4.165 3.486 4.422 . 0 0 "[ . 1 . 2]" 1
1505 2 18 ARG QD 2 19 GLN H 3.900 . 7.000 4.992 4.073 5.533 . 0 0 "[ . 1 . 2]" 1
1506 2 19 GLN H 2 20 LYS H 3.900 . 6.000 4.023 3.898 4.097 . 0 0 "[ . 1 . 2]" 1
1507 2 19 GLN H 2 21 LYS HA 3.900 . 6.000 5.408 5.062 5.652 . 0 0 "[ . 1 . 2]" 1
1508 2 19 GLN H 2 22 GLN QB 3.400 . 6.000 2.834 2.455 3.096 . 0 0 "[ . 1 . 2]" 1
1509 2 19 GLN H 2 22 GLN H 2.900 . 3.500 2.761 2.507 2.953 . 0 0 "[ . 1 . 2]" 1
1510 2 19 GLN H 2 23 ASP HA 3.400 . 5.000 3.913 3.540 4.513 . 0 0 "[ . 1 . 2]" 1
1511 2 19 GLN H 2 23 ASP H 3.900 . 6.000 4.844 4.643 5.048 . 0 0 "[ . 1 . 2]" 1
1512 2 19 GLN H 2 35 TRP HE1 3.400 . 5.000 4.196 3.992 4.507 . 0 0 "[ . 1 . 2]" 1
1513 2 19 GLN H 2 35 TRP HH2 3.400 . 5.000 3.848 3.468 4.121 . 0 0 "[ . 1 . 2]" 1
1514 2 19 GLN H 2 79 PHE QE 3.900 . 8.000 6.212 6.050 6.281 . 0 0 "[ . 1 . 2]" 1
1515 2 19 GLN HA 2 20 LYS H 3.400 . 5.000 2.168 2.136 2.199 . 0 0 "[ . 1 . 2]" 1
1516 2 19 GLN QB 2 20 LYS H 3.400 . 6.000 3.896 3.833 3.962 . 0 0 "[ . 1 . 2]" 1
1517 2 20 LYS H 2 21 LYS H 3.400 . 5.000 3.170 2.952 3.307 . 0 0 "[ . 1 . 2]" 1
1518 2 20 LYS H 2 22 GLN H 3.900 . 6.000 4.078 3.952 4.283 . 0 0 "[ . 1 . 2]" 1
1519 2 20 LYS H 2 79 PHE HA 3.900 . 6.000 5.017 4.732 5.190 . 0 0 "[ . 1 . 2]" 1
1520 2 18 ARG HB2 2 21 LYS H 3.900 . 6.000 4.820 4.293 5.275 . 0 0 "[ . 1 . 2]" 1
1521 2 19 GLN HA 2 21 LYS H 3.900 . 6.000 4.676 4.408 4.831 . 0 0 "[ . 1 . 2]" 1
1522 2 19 GLN H 2 21 LYS H 3.900 . 6.000 4.525 4.290 4.719 . 0 0 "[ . 1 . 2]" 1
1523 2 21 LYS H 2 22 GLN QB 3.900 . 7.000 4.853 4.621 5.106 . 0 0 "[ . 1 . 2]" 1
1524 2 21 LYS H 2 22 GLN QG 3.900 . 7.000 4.934 4.380 6.106 . 0 0 "[ . 1 . 2]" 1
1525 2 21 LYS H 2 22 GLN H 3.900 . 6.000 2.709 2.581 2.827 . 0 0 "[ . 1 . 2]" 1
1526 2 20 LYS HB3 2 22 GLN QE 3.900 . 7.000 3.429 2.655 5.766 . 0 0 "[ . 1 . 2]" 1
1527 2 20 LYS HB2 2 22 GLN QE 3.900 . 7.000 3.255 2.648 6.054 . 0 0 "[ . 1 . 2]" 1
1528 2 18 ARG HA 2 22 GLN H 3.400 . 5.000 3.869 3.416 4.408 . 0 0 "[ . 1 . 2]" 1
1529 2 18 ARG HB3 2 22 GLN H 3.400 . 5.000 3.179 2.689 3.555 . 0 0 "[ . 1 . 2]" 1
1530 2 18 ARG HB2 2 22 GLN H 3.400 . 5.000 4.841 4.211 5.041 0.041 16 0 "[ . 1 . 2]" 1
1531 2 19 GLN HA 2 22 GLN H 3.900 . 6.000 4.450 4.308 4.609 . 0 0 "[ . 1 . 2]" 1
1532 2 19 GLN QB 2 22 GLN H 3.900 . 7.000 4.121 3.912 4.325 . 0 0 "[ . 1 . 2]" 1
1533 2 21 LYS HA 2 22 GLN H 3.400 . 5.000 2.995 2.771 3.212 . 0 0 "[ . 1 . 2]" 1
1534 2 21 LYS HB3 2 22 GLN H 3.400 . 5.000 4.261 4.104 4.339 . 0 0 "[ . 1 . 2]" 1
1535 2 21 LYS QG 2 22 GLN H 3.400 . 6.000 4.754 4.570 4.949 . 0 0 "[ . 1 . 2]" 1
1536 2 22 GLN H 2 35 TRP HH2 3.400 . 5.000 4.816 4.406 5.067 0.067 11 0 "[ . 1 . 2]" 1
1537 2 18 ARG HA 2 23 ASP H 3.900 . 6.000 4.486 4.095 4.862 . 0 0 "[ . 1 . 2]" 1
1538 2 18 ARG QG 2 23 ASP H 3.400 . 6.000 3.706 3.180 4.895 . 0 0 "[ . 1 . 2]" 1
1539 2 22 GLN HA 2 23 ASP H 2.400 . 2.900 2.165 2.128 2.196 . 0 0 "[ . 1 . 2]" 1
1540 2 23 ASP H 2 24 GLY QA 3.900 . 7.000 4.937 4.872 5.021 . 0 0 "[ . 1 . 2]" 1
1541 2 23 ASP H 2 35 TRP HH2 3.900 . 6.000 4.585 4.232 5.092 . 0 0 "[ . 1 . 2]" 1
1542 2 23 ASP H 2 35 TRP HZ2 3.400 . 5.000 4.309 4.110 4.579 . 0 0 "[ . 1 . 2]" 1
1543 2 23 ASP H 2 37 PRO QB 3.900 . 7.000 4.819 4.506 5.118 . 0 0 "[ . 1 . 2]" 1
1544 2 23 ASP H 2 38 GLU H 3.900 . 6.000 5.245 4.567 6.023 0.023 8 0 "[ . 1 . 2]" 1
1545 2 17 VAL MG1 2 24 GLY H 3.400 . 6.500 4.746 4.539 5.021 . 0 0 "[ . 1 . 2]" 1
1546 2 18 ARG HA 2 24 GLY H 3.400 . 5.000 3.319 2.970 3.612 . 0 0 "[ . 1 . 2]" 1
1547 2 18 ARG QD 2 24 GLY H 3.900 . 7.000 5.443 4.889 5.959 . 0 0 "[ . 1 . 2]" 1
1548 2 18 ARG QG 2 24 GLY H 3.400 . 6.000 3.532 3.176 4.049 . 0 0 "[ . 1 . 2]" 1
1549 2 19 GLN H 2 24 GLY H 3.900 . 6.000 4.866 4.516 5.225 . 0 0 "[ . 1 . 2]" 1
1550 2 23 ASP HA 2 24 GLY H 2.900 . 3.500 2.230 2.125 2.329 . 0 0 "[ . 1 . 2]" 1
1551 2 23 ASP QB 2 24 GLY H 3.400 . 6.000 3.283 2.983 3.760 . 0 0 "[ . 1 . 2]" 1
1552 2 23 ASP H 2 24 GLY H 3.400 . 5.000 4.579 4.496 4.641 . 0 0 "[ . 1 . 2]" 1
1553 2 24 GLY H 2 25 ALA MB 3.900 . 7.500 4.997 4.875 5.146 . 0 0 "[ . 1 . 2]" 1
1554 2 24 GLY H 2 35 TRP HD1 3.900 . 6.000 5.792 5.597 6.048 0.048 15 0 "[ . 1 . 2]" 1
1555 2 24 GLY H 2 35 TRP HE1 3.400 . 5.000 3.376 3.162 3.681 . 0 0 "[ . 1 . 2]" 1
1556 2 24 GLY H 2 35 TRP HH2 3.900 . 6.000 5.375 5.043 5.670 . 0 0 "[ . 1 . 2]" 1
1557 2 24 GLY H 2 38 GLU QB 3.400 . 6.000 4.143 3.470 5.050 . 0 0 "[ . 1 . 2]" 1
1558 2 24 GLY H 2 38 GLU QG 3.900 . 7.000 4.965 2.946 6.148 . 0 0 "[ . 1 . 2]" 1
1559 2 17 VAL MG1 2 25 ALA H 3.900 . 7.500 5.211 4.891 5.611 . 0 0 "[ . 1 . 2]" 1
1560 2 24 GLY QA 2 25 ALA H 2.900 . 4.500 2.170 2.134 2.217 . 0 0 "[ . 1 . 2]" 1
1561 2 25 ALA H 2 26 LEU MD1 3.900 . 7.500 5.674 5.507 5.910 . 0 0 "[ . 1 . 2]" 1
1562 2 25 ALA H 2 26 LEU H 3.900 . 6.000 4.362 4.322 4.410 . 0 0 "[ . 1 . 2]" 1
1563 2 25 ALA H 2 27 TYR QE 3.900 . 8.000 4.080 3.800 4.434 . 0 0 "[ . 1 . 2]" 1
1564 2 25 ALA H 2 35 TRP HA 3.900 . 6.000 4.600 4.308 4.909 . 0 0 "[ . 1 . 2]" 1
1565 2 25 ALA H 2 35 TRP HD1 3.900 . 6.000 4.108 3.774 4.481 . 0 0 "[ . 1 . 2]" 1
1566 2 25 ALA H 2 35 TRP HE1 3.400 . 5.000 3.485 3.182 3.850 . 0 0 "[ . 1 . 2]" 1
1567 2 25 ALA H 2 35 TRP HH2 3.900 . 6.000 5.990 5.822 6.050 0.050 19 0 "[ . 1 . 2]" 1
1568 2 25 ALA H 2 36 ALA MB 3.400 . 6.500 3.836 3.594 4.078 . 0 0 "[ . 1 . 2]" 1
1569 2 25 ALA H 2 36 ALA H 3.400 . 5.000 2.972 2.765 3.226 . 0 0 "[ . 1 . 2]" 1
1570 2 25 ALA H 2 38 GLU QB 3.400 . 6.000 4.902 4.361 5.374 . 0 0 "[ . 1 . 2]" 1
1571 2 25 ALA H 2 38 GLU H 3.400 . 5.000 4.203 3.461 4.716 . 0 0 "[ . 1 . 2]" 1
1572 2 15 LYS HA 2 26 LEU H 3.900 . 6.000 3.673 3.292 3.812 . 0 0 "[ . 1 . 2]" 1
1573 2 17 VAL HB 2 26 LEU H 3.400 . 5.000 3.170 2.909 3.624 . 0 0 "[ . 1 . 2]" 1
1574 2 17 VAL MG2 2 26 LEU H 3.400 . 6.500 2.545 2.191 2.933 . 0 0 "[ . 1 . 2]" 1
1575 2 25 ALA HA 2 26 LEU H 2.900 . 3.500 2.234 2.163 2.284 . 0 0 "[ . 1 . 2]" 1
1576 2 25 ALA MB 2 26 LEU H 3.400 . 6.500 2.734 2.632 2.837 . 0 0 "[ . 1 . 2]" 1
1577 2 26 LEU H 2 27 TYR QD 3.900 . 8.000 4.846 3.863 5.054 . 0 0 "[ . 1 . 2]" 1
1578 2 26 LEU H 2 27 TYR H 3.900 . 6.000 4.417 4.358 4.474 . 0 0 "[ . 1 . 2]" 1
1579 2 26 LEU H 2 35 TRP HD1 3.900 . 6.000 3.765 3.504 4.100 . 0 0 "[ . 1 . 2]" 1
1580 2 25 ALA HA 2 27 TYR H 3.900 . 6.000 6.065 5.996 6.157 0.157 19 0 "[ . 1 . 2]" 1
1581 2 26 LEU HA 2 27 TYR H 2.900 . 3.500 2.146 2.129 2.190 . 0 0 "[ . 1 . 2]" 1
1582 2 26 LEU HB3 2 27 TYR H 3.400 . 5.000 4.066 3.986 4.172 . 0 0 "[ . 1 . 2]" 1
1583 2 26 LEU HB2 2 27 TYR H 3.400 . 5.000 4.249 4.128 4.331 . 0 0 "[ . 1 . 2]" 1
1584 2 26 LEU MD1 2 27 TYR H 3.400 . 6.500 2.967 2.838 3.081 . 0 0 "[ . 1 . 2]" 1
1585 2 26 LEU MD2 2 27 TYR H 3.400 . 6.500 4.294 4.063 4.443 . 0 0 "[ . 1 . 2]" 1
1586 2 26 LEU HG 2 27 TYR H 3.400 . 5.000 2.689 2.397 2.881 . 0 0 "[ . 1 . 2]" 1
1587 2 27 TYR H 2 29 MET ME 3.900 . 7.500 5.254 3.767 5.668 . 0 0 "[ . 1 . 2]" 1
1588 2 27 TYR H 2 34 ALA H 3.400 . 5.000 3.465 3.325 3.604 . 0 0 "[ . 1 . 2]" 1
1589 2 27 TYR H 2 35 TRP HA 3.400 . 5.000 3.065 2.949 3.206 . 0 0 "[ . 1 . 2]" 1
1590 2 27 TYR H 2 35 TRP HB3 3.900 . 6.000 5.674 5.569 5.860 . 0 0 "[ . 1 . 2]" 1
1591 2 27 TYR H 2 35 TRP HB2 3.900 . 6.000 4.458 4.330 4.742 . 0 0 "[ . 1 . 2]" 1
1592 2 27 TYR H 2 35 TRP HD1 3.400 . 5.000 4.802 4.613 4.997 . 0 0 "[ . 1 . 2]" 1
1593 2 27 TYR H 2 36 ALA H 3.900 . 6.000 4.522 4.239 4.758 . 0 0 "[ . 1 . 2]" 1
1594 2 27 TYR H 2 79 PHE QE 3.900 . 8.000 6.418 6.188 6.521 . 0 0 "[ . 1 . 2]" 1
1595 2 12 LEU HA 2 28 LEU H 3.900 . 6.000 4.505 4.353 4.585 . 0 0 "[ . 1 . 2]" 1
1596 2 12 LEU HB3 2 28 LEU H 3.400 . 5.000 2.652 2.502 2.756 . 0 0 "[ . 1 . 2]" 1
1597 2 13 ILE HA 2 28 LEU H 3.400 . 5.000 3.653 3.540 3.724 . 0 0 "[ . 1 . 2]" 1
1598 2 13 ILE QG 2 28 LEU H 3.400 . 6.000 4.456 4.270 4.604 . 0 0 "[ . 1 . 2]" 1
1599 2 13 ILE H 2 28 LEU H 3.900 . 6.000 4.751 4.657 4.846 . 0 0 "[ . 1 . 2]" 1
1600 2 27 TYR HA 2 28 LEU H 2.900 . 3.500 2.150 2.131 2.181 . 0 0 "[ . 1 . 2]" 1
1601 2 27 TYR HB3 2 28 LEU H 3.400 . 5.000 3.514 3.145 3.628 . 0 0 "[ . 1 . 2]" 1
1602 2 27 TYR QD 2 28 LEU H 3.900 . 8.000 4.447 4.195 4.596 . 0 0 "[ . 1 . 2]" 1
1603 2 27 TYR H 2 28 LEU H 3.900 . 6.000 4.227 4.154 4.409 . 0 0 "[ . 1 . 2]" 1
1604 2 28 LEU H 2 29 MET H 3.900 . 6.000 4.478 4.375 4.548 . 0 0 "[ . 1 . 2]" 1
1605 2 28 LEU H 2 33 ILE HA 3.900 . 6.000 5.165 5.047 5.302 . 0 0 "[ . 1 . 2]" 1
1606 2 10 VAL HA 2 29 MET H 3.900 . 6.000 4.774 4.548 5.064 . 0 0 "[ . 1 . 2]" 1
1607 2 28 LEU HA 2 29 MET H 3.400 . 5.000 2.168 2.118 2.209 . 0 0 "[ . 1 . 2]" 1
1608 2 28 LEU QB 2 29 MET H 3.400 . 6.000 3.157 3.028 3.283 . 0 0 "[ . 1 . 2]" 1
1609 2 28 LEU MD2 2 29 MET H 3.400 . 6.500 3.560 3.475 3.673 . 0 0 "[ . 1 . 2]" 1
1610 2 29 MET H 2 30 ALA H 3.900 . 6.000 4.468 4.434 4.493 . 0 0 "[ . 1 . 2]" 1
1611 2 29 MET H 2 32 ARG QG 3.900 . 7.000 3.758 3.530 3.949 . 0 0 "[ . 1 . 2]" 1
1612 2 29 MET H 2 32 ARG H 3.400 . 5.000 3.500 3.345 3.640 . 0 0 "[ . 1 . 2]" 1
1613 2 29 MET H 2 33 ILE HA 3.400 . 5.000 2.646 2.527 2.790 . 0 0 "[ . 1 . 2]" 1
1614 2 29 MET H 2 34 ALA H 3.400 . 5.000 3.964 3.731 4.232 . 0 0 "[ . 1 . 2]" 1
1615 2 10 VAL MG2 2 30 ALA H 3.900 . 7.500 5.290 5.035 5.644 . 0 0 "[ . 1 . 2]" 1
1616 2 11 LEU MD1 2 30 ALA H 3.400 . 6.500 3.541 3.113 3.826 . 0 0 "[ . 1 . 2]" 1
1617 2 11 LEU HG 2 30 ALA H 3.400 . 5.000 2.951 2.668 3.287 . 0 0 "[ . 1 . 2]" 1
1618 2 29 MET HA 2 30 ALA H 3.400 . 5.000 2.395 2.284 2.509 . 0 0 "[ . 1 . 2]" 1
1619 2 29 MET HB3 2 30 ALA H 3.400 . 5.000 2.562 2.308 2.813 . 0 0 "[ . 1 . 2]" 1
1620 2 29 MET HB2 2 30 ALA H 3.400 . 5.000 3.121 2.850 3.495 . 0 0 "[ . 1 . 2]" 1
1621 2 29 MET QG 2 30 ALA H 3.400 . 6.000 4.239 3.781 4.382 . 0 0 "[ . 1 . 2]" 1
1622 2 30 ALA H 2 31 GLU H 3.400 . 5.000 3.079 2.880 3.203 . 0 0 "[ . 1 . 2]" 1
1623 2 30 ALA H 2 32 ARG H 3.400 . 5.000 4.061 4.006 4.135 . 0 0 "[ . 1 . 2]" 1
1624 2 29 MET HA 2 31 GLU H 3.900 . 6.000 4.697 4.293 4.957 . 0 0 "[ . 1 . 2]" 1
1625 2 29 MET HB3 2 31 GLU H 3.400 . 5.000 3.880 2.977 4.243 . 0 0 "[ . 1 . 2]" 1
1626 2 30 ALA MB 2 31 GLU H 2.900 . 5.000 2.463 2.303 2.837 . 0 0 "[ . 1 . 2]" 1
1627 2 31 GLU H 2 32 ARG HA 3.900 . 6.000 4.859 4.744 5.003 . 0 0 "[ . 1 . 2]" 1
1628 2 31 GLU H 2 32 ARG QG 3.400 . 6.000 3.651 3.110 4.244 . 0 0 "[ . 1 . 2]" 1
1629 2 31 GLU H 2 32 ARG H 2.900 . 3.500 2.302 2.109 2.484 . 0 0 "[ . 1 . 2]" 1
1630 2 31 GLU H 2 105 PHE HZ 3.900 . 6.000 5.251 4.452 6.006 0.006 16 0 "[ . 1 . 2]" 1
1631 2 29 MET HA 2 32 ARG H 3.900 . 6.000 4.517 4.406 4.589 . 0 0 "[ . 1 . 2]" 1
1632 2 29 MET HB3 2 32 ARG H 3.400 . 5.000 4.042 3.557 4.266 . 0 0 "[ . 1 . 2]" 1
1633 2 29 MET HB2 2 32 ARG H 3.400 . 5.000 2.460 2.170 2.648 . 0 0 "[ . 1 . 2]" 1
1634 2 31 GLU HA 2 32 ARG H 3.400 . 5.000 3.233 3.043 3.397 . 0 0 "[ . 1 . 2]" 1
1635 2 31 GLU HB2 2 32 ARG H 3.400 . 5.000 3.777 3.500 4.029 . 0 0 "[ . 1 . 2]" 1
1636 2 31 GLU QG 2 32 ARG H 3.400 . 6.000 4.379 4.012 4.705 . 0 0 "[ . 1 . 2]" 1
1637 2 32 ARG H 2 49 TYR H 3.900 . 6.000 4.591 4.276 4.807 . 0 0 "[ . 1 . 2]" 1
1638 2 32 ARG H 2 105 PHE QE 3.900 . 8.000 5.514 4.725 6.063 . 0 0 "[ . 1 . 2]" 1
1639 2 32 ARG HA 2 33 ILE H 3.400 . 5.000 2.420 2.323 2.504 . 0 0 "[ . 1 . 2]" 1
1640 2 32 ARG QG 2 33 ILE H 3.400 . 6.000 3.111 2.755 3.492 . 0 0 "[ . 1 . 2]" 1
1641 2 33 ILE H 2 34 ALA MB 3.900 . 7.500 4.501 4.434 4.561 . 0 0 "[ . 1 . 2]" 1
1642 2 33 ILE H 2 47 HIS HB3 3.400 . 5.000 4.566 4.390 4.736 . 0 0 "[ . 1 . 2]" 1
1643 2 33 ILE H 2 47 HIS HB2 3.400 . 5.000 3.789 3.687 3.911 . 0 0 "[ . 1 . 2]" 1
1644 2 33 ILE H 2 47 HIS H 3.400 . 5.000 3.160 3.021 3.327 . 0 0 "[ . 1 . 2]" 1
1645 2 33 ILE H 2 48 MET HA 3.400 . 5.000 3.288 3.207 3.390 . 0 0 "[ . 1 . 2]" 1
1646 2 33 ILE H 2 48 MET H 3.400 . 5.000 4.789 4.733 4.838 . 0 0 "[ . 1 . 2]" 1
1647 2 33 ILE H 2 49 TYR QE 3.400 . 7.000 4.043 3.826 4.323 . 0 0 "[ . 1 . 2]" 1
1648 2 33 ILE H 2 49 TYR H 3.400 . 5.000 4.331 4.134 4.469 . 0 0 "[ . 1 . 2]" 1
1649 2 27 TYR HB2 2 34 ALA H 3.900 . 6.000 3.852 3.672 3.953 . 0 0 "[ . 1 . 2]" 1
1650 2 27 TYR QD 2 34 ALA H 3.900 . 8.000 5.111 4.897 5.383 . 0 0 "[ . 1 . 2]" 1
1651 2 28 LEU HA 2 34 ALA H 3.400 . 5.000 3.407 3.260 3.592 . 0 0 "[ . 1 . 2]" 1
1652 2 29 MET ME 2 34 ALA H 3.900 . 7.500 4.531 3.310 4.833 . 0 0 "[ . 1 . 2]" 1
1653 2 29 MET QG 2 34 ALA H 3.900 . 7.000 3.080 2.716 4.991 . 0 0 "[ . 1 . 2]" 1
1654 2 33 ILE HA 2 34 ALA H 2.900 . 3.500 2.182 2.165 2.208 . 0 0 "[ . 1 . 2]" 1
1655 2 33 ILE HB 2 34 ALA H 3.400 . 5.000 4.120 4.086 4.154 . 0 0 "[ . 1 . 2]" 1
1656 2 33 ILE QG 2 34 ALA H 3.400 . 6.000 2.705 2.584 2.808 . 0 0 "[ . 1 . 2]" 1
1657 2 33 ILE H 2 34 ALA H 3.900 . 6.000 4.303 4.247 4.351 . 0 0 "[ . 1 . 2]" 1
1658 2 34 ALA H 2 49 TYR QE 3.900 . 8.000 5.993 5.628 6.203 . 0 0 "[ . 1 . 2]" 1
1659 2 17 VAL HA 2 35 TRP HE1 3.900 . 6.000 4.325 4.220 4.455 . 0 0 "[ . 1 . 2]" 1
1660 2 17 VAL HB 2 35 TRP HE1 3.400 . 5.000 2.380 2.070 2.729 . 0 0 "[ . 1 . 2]" 1
1661 2 17 VAL MG1 2 35 TRP HE1 2.900 . 4.800 2.619 2.439 2.812 . 0 0 "[ . 1 . 2]" 1
1662 2 18 ARG HA 2 35 TRP HE1 3.400 . 5.000 3.644 3.299 4.088 . 0 0 "[ . 1 . 2]" 1
1663 2 24 GLY QA 2 35 TRP HE1 3.400 . 6.000 3.058 2.705 3.206 . 0 0 "[ . 1 . 2]" 1
1664 2 25 ALA HA 2 35 TRP HE1 3.900 . 6.000 3.927 3.637 4.317 . 0 0 "[ . 1 . 2]" 1
1665 2 25 ALA MB 2 35 TRP HE1 3.900 . 7.500 4.907 4.672 5.171 . 0 0 "[ . 1 . 2]" 1
1666 2 26 LEU HA 2 35 TRP HE1 3.900 . 6.000 4.999 4.879 5.151 . 0 0 "[ . 1 . 2]" 1
1667 2 26 LEU HB3 2 35 TRP HE1 3.900 . 6.000 5.917 5.653 6.026 0.026 6 0 "[ . 1 . 2]" 1
1668 2 26 LEU HB2 2 35 TRP HE1 3.900 . 6.000 4.403 4.233 4.508 . 0 0 "[ . 1 . 2]" 1
1669 2 26 LEU MD1 2 35 TRP HE1 3.900 . 7.500 4.663 4.423 4.755 . 0 0 "[ . 1 . 2]" 1
1670 2 26 LEU H 2 35 TRP HE1 3.900 . 6.000 4.835 4.585 5.086 . 0 0 "[ . 1 . 2]" 1
1671 2 35 TRP HE1 2 79 PHE HB3 3.900 . 6.000 5.539 5.230 5.833 . 0 0 "[ . 1 . 2]" 1
1672 2 35 TRP HE1 2 79 PHE QE 3.900 . 8.000 5.301 5.095 5.572 . 0 0 "[ . 1 . 2]" 1
1673 2 34 ALA HA 2 35 TRP H 2.900 . 3.500 2.228 2.176 2.273 . 0 0 "[ . 1 . 2]" 1
1674 2 34 ALA MB 2 35 TRP H 2.900 . 5.000 2.612 2.509 2.726 . 0 0 "[ . 1 . 2]" 1
1675 2 34 ALA H 2 35 TRP H 3.900 . 6.000 4.415 4.381 4.459 . 0 0 "[ . 1 . 2]" 1
1676 2 35 TRP H 2 36 ALA MB 3.900 . 7.500 4.616 4.468 4.789 . 0 0 "[ . 1 . 2]" 1
1677 2 35 TRP H 2 36 ALA H 3.900 . 6.000 4.330 4.247 4.401 . 0 0 "[ . 1 . 2]" 1
1678 2 35 TRP H 2 43 PHE HB2 3.400 . 5.000 4.404 3.834 5.015 0.015 15 0 "[ . 1 . 2]" 1
1679 2 35 TRP H 2 43 PHE QD 3.900 . 8.000 3.833 2.859 4.654 . 0 0 "[ . 1 . 2]" 1
1680 2 35 TRP H 2 45 ILE HA 3.900 . 6.000 4.488 4.425 4.543 . 0 0 "[ . 1 . 2]" 1
1681 2 35 TRP H 2 45 ILE HB 3.400 . 5.000 2.471 2.316 2.578 . 0 0 "[ . 1 . 2]" 1
1682 2 35 TRP H 2 45 ILE QG 3.900 . 7.000 4.189 4.031 4.284 . 0 0 "[ . 1 . 2]" 1
1683 2 35 TRP H 2 45 ILE MG 3.400 . 6.500 3.366 3.199 3.597 . 0 0 "[ . 1 . 2]" 1
1684 2 35 TRP H 2 45 ILE H 3.400 . 5.000 3.046 2.912 3.158 . 0 0 "[ . 1 . 2]" 1
1685 2 35 TRP H 2 46 SER HA 3.400 . 5.000 3.845 3.708 4.043 . 0 0 "[ . 1 . 2]" 1
1686 2 35 TRP H 2 47 HIS H 3.900 . 6.000 5.189 4.933 5.295 . 0 0 "[ . 1 . 2]" 1
1687 2 35 TRP H 2 79 PHE QE 3.900 . 8.000 4.630 4.372 4.817 . 0 0 "[ . 1 . 2]" 1
1688 2 25 ALA MB 2 36 ALA H 3.400 . 6.500 3.868 3.692 3.979 . 0 0 "[ . 1 . 2]" 1
1689 2 26 LEU HA 2 36 ALA H 3.400 . 5.000 3.567 3.329 3.744 . 0 0 "[ . 1 . 2]" 1
1690 2 26 LEU MD1 2 36 ALA H 3.400 . 6.500 4.418 4.245 4.528 . 0 0 "[ . 1 . 2]" 1
1691 2 27 TYR QD 2 36 ALA H 3.400 . 7.000 3.507 3.204 4.035 . 0 0 "[ . 1 . 2]" 1
1692 2 27 TYR QE 2 36 ALA H 3.400 . 7.000 3.503 3.078 4.687 . 0 0 "[ . 1 . 2]" 1
1693 2 35 TRP HA 2 36 ALA H 2.400 . 2.900 2.174 2.143 2.199 . 0 0 "[ . 1 . 2]" 1
1694 2 35 TRP HB3 2 36 ALA H 3.400 . 5.000 4.133 4.037 4.245 . 0 0 "[ . 1 . 2]" 1
1695 2 35 TRP HB2 2 36 ALA H 3.400 . 5.000 4.108 4.047 4.190 . 0 0 "[ . 1 . 2]" 1
1696 2 35 TRP HD1 2 36 ALA H 3.400 . 5.000 3.830 3.653 3.993 . 0 0 "[ . 1 . 2]" 1
1697 2 35 TRP HE1 2 36 ALA H 3.900 . 6.000 4.709 4.534 5.013 . 0 0 "[ . 1 . 2]" 1
1698 2 35 TRP HE3 2 36 ALA H 3.900 . 6.000 4.494 4.193 4.734 . 0 0 "[ . 1 . 2]" 1
1699 2 36 ALA H 2 37 PRO QD 3.400 . 6.000 4.238 4.091 4.312 . 0 0 "[ . 1 . 2]" 1
1700 2 36 ALA H 2 43 PHE HA 3.900 . 6.000 4.332 4.087 4.594 . 0 0 "[ . 1 . 2]" 1
1701 2 36 ALA H 2 43 PHE QD 3.400 . 7.000 3.458 3.114 3.831 . 0 0 "[ . 1 . 2]" 1
1702 2 23 ASP QB 2 38 GLU H 3.400 . 6.000 3.965 3.395 4.339 . 0 0 "[ . 1 . 2]" 1
1703 2 24 GLY H 2 38 GLU H 3.400 . 5.000 4.056 3.451 4.543 . 0 0 "[ . 1 . 2]" 1
1704 2 35 TRP HH2 2 38 GLU H 3.900 . 6.000 5.384 4.580 5.783 . 0 0 "[ . 1 . 2]" 1
1705 2 37 PRO HA 2 38 GLU H 2.400 . 2.900 2.262 2.179 2.378 . 0 0 "[ . 1 . 2]" 1
1706 2 37 PRO QB 2 38 GLU H 3.400 . 6.000 2.986 2.609 3.204 . 0 0 "[ . 1 . 2]" 1
1707 2 38 GLU QB 2 39 GLY H 3.900 . 7.000 3.455 2.907 3.804 . 0 0 "[ . 1 . 2]" 1
1708 2 38 GLU HA 2 40 LYS H 3.400 . 5.000 3.395 3.143 3.678 . 0 0 "[ . 1 . 2]" 1
1709 2 38 GLU QG 2 40 LYS H 3.400 . 6.000 5.160 4.836 5.443 . 0 0 "[ . 1 . 2]" 1
1710 2 39 GLY QA 2 40 LYS H 3.400 . 6.000 2.903 2.758 2.941 . 0 0 "[ . 1 . 2]" 1
1711 2 39 GLY H 2 40 LYS H 3.900 . 6.000 2.569 2.277 3.003 . 0 0 "[ . 1 . 2]" 1
1712 2 40 LYS H 2 41 ASP H 3.900 . 6.000 4.479 4.444 4.505 . 0 0 "[ . 1 . 2]" 1
1713 2 40 LYS HA 2 41 ASP H 3.400 . 5.000 2.205 2.131 2.270 . 0 0 "[ . 1 . 2]" 1
1714 2 40 LYS QB 2 41 ASP H 3.900 . 7.000 3.066 2.770 3.616 . 0 0 "[ . 1 . 2]" 1
1715 2 40 LYS QD 2 41 ASP H 3.900 . 7.000 4.140 1.871 5.297 . 0 0 "[ . 1 . 2]" 1
1716 2 40 LYS QG 2 41 ASP H 3.900 . 7.000 3.642 2.767 4.714 . 0 0 "[ . 1 . 2]" 1
1717 2 41 ASP H 2 42 ARG H 3.900 . 6.000 2.416 2.131 2.819 . 0 0 "[ . 1 . 2]" 1
1718 2 40 LYS HA 2 42 ARG H 3.400 . 5.000 3.755 3.586 3.965 . 0 0 "[ . 1 . 2]" 1
1719 2 40 LYS QB 2 42 ARG H 2.900 . 4.500 2.645 2.232 3.448 . 0 0 "[ . 1 . 2]" 1
1720 2 40 LYS H 2 42 ARG H 3.900 . 6.000 5.134 4.751 5.519 . 0 0 "[ . 1 . 2]" 1
1721 2 41 ASP HA 2 42 ARG H 3.400 . 5.000 3.265 3.041 3.442 . 0 0 "[ . 1 . 2]" 1
1722 2 42 ARG H 2 43 PHE H 3.400 . 5.000 4.347 4.243 4.474 . 0 0 "[ . 1 . 2]" 1
1723 2 34 ALA MB 2 43 PHE H 3.900 . 7.500 4.833 4.411 5.523 . 0 0 "[ . 1 . 2]" 1
1724 2 36 ALA HA 2 43 PHE H 3.900 . 6.000 5.222 4.778 5.768 . 0 0 "[ . 1 . 2]" 1
1725 2 36 ALA MB 2 43 PHE H 3.400 . 6.500 3.581 3.290 3.867 . 0 0 "[ . 1 . 2]" 1
1726 2 42 ARG HA 2 43 PHE H 2.400 . 2.900 2.159 2.098 2.372 . 0 0 "[ . 1 . 2]" 1
1727 2 42 ARG QB 2 43 PHE H 3.400 . 6.000 3.360 2.624 3.821 . 0 0 "[ . 1 . 2]" 1
1728 2 42 ARG QG 2 43 PHE H 3.400 . 6.000 3.542 2.489 4.772 . 0 0 "[ . 1 . 2]" 1
1729 2 34 ALA MB 2 44 THR H 3.900 . 7.500 5.019 4.497 5.388 . 0 0 "[ . 1 . 2]" 1
1730 2 35 TRP HE3 2 44 THR H 3.900 . 6.000 3.567 3.345 3.750 . 0 0 "[ . 1 . 2]" 1
1731 2 35 TRP HZ3 2 44 THR H 3.900 . 6.000 4.506 4.199 4.884 . 0 0 "[ . 1 . 2]" 1
1732 2 36 ALA HA 2 44 THR H 3.400 . 5.000 2.489 2.321 2.693 . 0 0 "[ . 1 . 2]" 1
1733 2 36 ALA MB 2 44 THR H 3.400 . 6.500 3.405 2.986 3.964 . 0 0 "[ . 1 . 2]" 1
1734 2 36 ALA H 2 44 THR H 3.900 . 6.000 4.850 4.661 5.140 . 0 0 "[ . 1 . 2]" 1
1735 2 37 PRO QD 2 44 THR H 3.900 . 7.000 2.849 2.340 3.170 . 0 0 "[ . 1 . 2]" 1
1736 2 43 PHE HA 2 44 THR H 3.400 . 5.000 2.172 2.138 2.262 . 0 0 "[ . 1 . 2]" 1
1737 2 43 PHE HB3 2 44 THR H 3.400 . 5.000 3.304 2.855 3.496 . 0 0 "[ . 1 . 2]" 1
1738 2 43 PHE HB2 2 44 THR H 3.900 . 6.000 4.013 3.470 4.319 . 0 0 "[ . 1 . 2]" 1
1739 2 43 PHE QD 2 44 THR H 3.400 . 7.000 4.473 4.224 4.629 . 0 0 "[ . 1 . 2]" 1
1740 2 44 THR H 2 45 ILE HB 3.900 . 6.000 4.540 4.228 4.798 . 0 0 "[ . 1 . 2]" 1
1741 2 44 THR H 2 45 ILE MD 3.900 . 7.500 5.146 4.978 5.375 . 0 0 "[ . 1 . 2]" 1
1742 2 44 THR H 2 45 ILE QG 3.900 . 7.000 4.048 3.924 4.312 . 0 0 "[ . 1 . 2]" 1
1743 2 44 THR H 2 45 ILE H 3.400 . 5.000 2.216 1.941 2.514 . 0 0 "[ . 1 . 2]" 1
1744 2 34 ALA MB 2 45 ILE H 3.900 . 7.500 4.318 4.145 4.562 . 0 0 "[ . 1 . 2]" 1
1745 2 35 TRP HE3 2 45 ILE H 3.900 . 6.000 3.016 2.611 3.182 . 0 0 "[ . 1 . 2]" 1
1746 2 35 TRP HZ3 2 45 ILE H 3.900 . 6.000 4.785 4.361 4.947 . 0 0 "[ . 1 . 2]" 1
1747 2 36 ALA HA 2 45 ILE H 3.400 . 5.000 3.956 3.746 4.166 . 0 0 "[ . 1 . 2]" 1
1748 2 36 ALA MB 2 45 ILE H 3.400 . 6.500 4.630 4.198 5.052 . 0 0 "[ . 1 . 2]" 1
1749 2 37 PRO QD 2 45 ILE H 3.900 . 7.000 4.430 4.144 4.735 . 0 0 "[ . 1 . 2]" 1
1750 2 43 PHE HA 2 45 ILE H 3.400 . 5.000 3.686 3.507 4.069 . 0 0 "[ . 1 . 2]" 1
1751 2 43 PHE HB3 2 45 ILE H 3.400 . 5.000 3.271 2.960 3.900 . 0 0 "[ . 1 . 2]" 1
1752 2 43 PHE HB2 2 45 ILE H 3.900 . 6.000 4.176 3.770 5.002 . 0 0 "[ . 1 . 2]" 1
1753 2 43 PHE QD 2 45 ILE H 3.400 . 7.000 4.882 4.340 5.377 . 0 0 "[ . 1 . 2]" 1
1754 2 44 THR HA 2 45 ILE H 3.400 . 5.000 3.455 3.406 3.555 . 0 0 "[ . 1 . 2]" 1
1755 2 45 ILE H 2 46 SER H 3.400 . 5.000 4.333 4.241 4.503 . 0 0 "[ . 1 . 2]" 1
1756 2 34 ALA HA 2 46 SER H 3.900 . 6.000 4.627 4.462 4.813 . 0 0 "[ . 1 . 2]" 1
1757 2 34 ALA MB 2 46 SER H 3.900 . 7.500 4.828 4.680 4.941 . 0 0 "[ . 1 . 2]" 1
1758 2 35 TRP H 2 46 SER H 3.900 . 6.000 4.867 4.788 4.975 . 0 0 "[ . 1 . 2]" 1
1759 2 45 ILE HA 2 46 SER H 2.400 . 2.900 2.172 2.157 2.192 . 0 0 "[ . 1 . 2]" 1
1760 2 45 ILE HB 2 46 SER H 3.400 . 5.000 4.243 4.175 4.389 . 0 0 "[ . 1 . 2]" 1
1761 2 45 ILE QG 2 46 SER H 3.400 . 6.000 4.700 4.596 4.760 . 0 0 "[ . 1 . 2]" 1
1762 2 45 ILE MG 2 46 SER H 2.400 . 4.400 2.807 2.649 3.090 . 0 0 "[ . 1 . 2]" 1
1763 2 46 SER H 2 47 HIS HA 3.900 . 6.000 4.724 4.560 4.871 . 0 0 "[ . 1 . 2]" 1
1764 2 46 SER H 2 47 HIS HB2 3.900 . 6.000 5.377 5.215 5.569 . 0 0 "[ . 1 . 2]" 1
1765 2 46 SER H 2 47 HIS H 3.400 . 5.000 3.990 3.789 4.142 . 0 0 "[ . 1 . 2]" 1
1766 2 32 ARG HA 2 47 HIS H 3.900 . 6.000 5.185 5.023 5.398 . 0 0 "[ . 1 . 2]" 1
1767 2 33 ILE QG 2 47 HIS H 3.400 . 6.000 4.249 4.066 4.406 . 0 0 "[ . 1 . 2]" 1
1768 2 33 ILE MG 2 47 HIS H 3.400 . 6.500 2.922 2.748 3.113 . 0 0 "[ . 1 . 2]" 1
1769 2 34 ALA HA 2 47 HIS H 3.400 . 5.000 3.325 3.168 3.422 . 0 0 "[ . 1 . 2]" 1
1770 2 34 ALA MB 2 47 HIS H 3.400 . 6.500 3.872 3.648 4.075 . 0 0 "[ . 1 . 2]" 1
1771 2 45 ILE MG 2 47 HIS H 3.400 . 6.500 3.645 3.328 3.853 . 0 0 "[ . 1 . 2]" 1
1772 2 46 SER HA 2 47 HIS H 3.400 . 5.000 2.151 2.128 2.183 . 0 0 "[ . 1 . 2]" 1
1773 2 46 SER HB3 2 47 HIS H 3.900 . 6.000 4.314 4.132 4.458 . 0 0 "[ . 1 . 2]" 1
1774 2 46 SER HB2 2 47 HIS H 3.400 . 5.000 4.450 4.325 4.585 . 0 0 "[ . 1 . 2]" 1
1775 2 47 HIS H 2 48 MET HA 3.400 . 5.000 4.761 4.672 4.890 . 0 0 "[ . 1 . 2]" 1
1776 2 32 ARG HA 2 48 MET H 3.900 . 6.000 4.907 4.664 5.128 . 0 0 "[ . 1 . 2]" 1
1777 2 33 ILE MG 2 48 MET H 3.900 . 7.500 4.717 4.644 4.787 . 0 0 "[ . 1 . 2]" 1
1778 2 46 SER HA 2 48 MET H 3.900 . 6.000 5.908 5.747 6.020 0.020 19 0 "[ . 1 . 2]" 1
1779 2 47 HIS HA 2 48 MET H 2.900 . 3.500 2.149 2.127 2.187 . 0 0 "[ . 1 . 2]" 1
1780 2 47 HIS H 2 48 MET H 3.900 . 6.000 4.326 4.256 4.436 . 0 0 "[ . 1 . 2]" 1
1781 2 48 MET H 2 49 TYR H 3.900 . 6.000 4.556 4.537 4.579 . 0 0 "[ . 1 . 2]" 1
1782 2 48 MET H 2 50 ALA MB 3.900 . 7.500 5.259 4.941 5.446 . 0 0 "[ . 1 . 2]" 1
1783 2 48 MET H 2 50 ALA H 3.900 . 6.000 4.861 4.611 5.112 . 0 0 "[ . 1 . 2]" 1
1784 2 48 MET H 2 51 ASP HA 3.900 . 6.000 5.817 5.646 6.032 0.032 9 0 "[ . 1 . 2]" 1
1785 2 48 MET H 2 51 ASP HB2 3.900 . 6.000 3.465 3.029 3.683 . 0 0 "[ . 1 . 2]" 1
1786 2 48 MET H 2 51 ASP H 3.900 . 6.000 4.063 3.888 4.425 . 0 0 "[ . 1 . 2]" 1
1787 2 48 MET H 2 52 ILE MD 3.900 . 7.500 4.571 4.367 4.769 . 0 0 "[ . 1 . 2]" 1
1788 2 48 MET H 2 71 LEU MD2 3.900 . 7.500 5.298 5.106 5.534 . 0 0 "[ . 1 . 2]" 1
1789 2 32 ARG HA 2 49 TYR H 3.400 . 5.000 2.417 2.224 2.564 . 0 0 "[ . 1 . 2]" 1
1790 2 32 ARG HB3 2 49 TYR H 3.400 . 5.000 3.820 3.582 4.268 . 0 0 "[ . 1 . 2]" 1
1791 2 47 HIS HA 2 49 TYR H 3.900 . 6.000 6.157 6.122 6.187 0.187 20 0 "[ . 1 . 2]" 1
1792 2 48 MET HA 2 49 TYR H 2.900 . 3.500 2.268 2.217 2.314 . 0 0 "[ . 1 . 2]" 1
1793 2 49 TYR H 2 50 ALA MB 3.400 . 6.500 4.269 4.188 4.375 . 0 0 "[ . 1 . 2]" 1
1794 2 49 TYR H 2 50 ALA H 3.400 . 5.000 2.614 2.542 2.726 . 0 0 "[ . 1 . 2]" 1
1795 2 49 TYR H 2 52 ILE MD 3.400 . 6.500 4.015 3.893 4.215 . 0 0 "[ . 1 . 2]" 1
1796 2 49 TYR H 2 105 PHE HB3 3.900 . 6.000 4.875 4.147 5.588 . 0 0 "[ . 1 . 2]" 1
1797 2 49 TYR H 2 105 PHE QD 3.400 . 7.000 4.859 4.004 5.428 . 0 0 "[ . 1 . 2]" 1
1798 2 32 ARG HA 2 50 ALA H 3.900 . 6.000 4.957 4.773 5.092 . 0 0 "[ . 1 . 2]" 1
1799 2 48 MET HB3 2 50 ALA H 3.400 . 5.000 2.572 2.259 2.900 . 0 0 "[ . 1 . 2]" 1
1800 2 48 MET HB2 2 50 ALA H 3.400 . 5.000 3.166 2.655 3.779 . 0 0 "[ . 1 . 2]" 1
1801 2 49 TYR HB3 2 50 ALA H 3.400 . 5.000 3.993 3.767 4.222 . 0 0 "[ . 1 . 2]" 1
1802 2 49 TYR QD 2 50 ALA H 3.400 . 7.000 4.537 4.429 4.601 . 0 0 "[ . 1 . 2]" 1
1803 2 50 ALA H 2 51 ASP HA 3.900 . 6.000 5.159 5.107 5.267 . 0 0 "[ . 1 . 2]" 1
1804 2 50 ALA H 2 51 ASP H 3.400 . 5.000 2.578 2.481 2.697 . 0 0 "[ . 1 . 2]" 1
1805 2 50 ALA H 2 52 ILE MD 3.400 . 6.500 4.867 4.749 5.053 . 0 0 "[ . 1 . 2]" 1
1806 2 50 ALA H 2 105 PHE HB3 3.400 . 5.000 3.786 3.102 4.258 . 0 0 "[ . 1 . 2]" 1
1807 2 50 ALA H 2 105 PHE QD 3.400 . 7.000 4.736 3.517 5.636 . 0 0 "[ . 1 . 2]" 1
1808 2 48 MET HB3 2 51 ASP H 3.400 . 5.000 3.887 3.313 4.307 . 0 0 "[ . 1 . 2]" 1
1809 2 48 MET HB2 2 51 ASP H 3.400 . 5.000 3.180 2.905 3.552 . 0 0 "[ . 1 . 2]" 1
1810 2 49 TYR QD 2 51 ASP H 3.900 . 8.000 5.444 5.149 5.652 . 0 0 "[ . 1 . 2]" 1
1811 2 50 ALA HA 2 51 ASP H 3.400 . 5.000 3.386 3.277 3.461 . 0 0 "[ . 1 . 2]" 1
1812 2 50 ALA MB 2 51 ASP H 3.400 . 6.500 3.138 3.040 3.309 . 0 0 "[ . 1 . 2]" 1
1813 2 51 ASP H 2 52 ILE HA 3.900 . 6.000 4.708 4.601 4.826 . 0 0 "[ . 1 . 2]" 1
1814 2 51 ASP H 2 52 ILE MD 3.400 . 6.500 4.285 4.098 4.392 . 0 0 "[ . 1 . 2]" 1
1815 2 51 ASP H 2 52 ILE QG 3.400 . 6.000 3.165 2.975 3.310 . 0 0 "[ . 1 . 2]" 1
1816 2 51 ASP H 2 52 ILE MG 3.400 . 6.500 5.382 5.263 5.483 . 0 0 "[ . 1 . 2]" 1
1817 2 51 ASP H 2 52 ILE H 2.900 . 3.500 2.124 2.003 2.258 . 0 0 "[ . 1 . 2]" 1
1818 2 51 ASP H 2 71 LEU MD2 3.900 . 7.500 4.910 4.709 5.134 . 0 0 "[ . 1 . 2]" 1
1819 2 51 ASP H 2 72 HIS HD2 3.900 . 6.000 5.245 4.556 5.550 . 0 0 "[ . 1 . 2]" 1
1820 2 49 TYR HA 2 52 ILE H 3.400 . 5.000 3.369 3.034 3.608 . 0 0 "[ . 1 . 2]" 1
1821 2 49 TYR QD 2 52 ILE H 3.900 . 8.000 5.176 4.991 5.394 . 0 0 "[ . 1 . 2]" 1
1822 2 50 ALA MB 2 52 ILE H 3.400 . 6.500 4.502 4.429 4.634 . 0 0 "[ . 1 . 2]" 1
1823 2 50 ALA H 2 52 ILE H 3.900 . 6.000 4.032 3.864 4.229 . 0 0 "[ . 1 . 2]" 1
1824 2 51 ASP HA 2 52 ILE H 3.400 . 5.000 3.318 3.232 3.359 . 0 0 "[ . 1 . 2]" 1
1825 2 51 ASP HB3 2 52 ILE H 3.400 . 5.000 4.378 4.066 4.473 . 0 0 "[ . 1 . 2]" 1
1826 2 51 ASP HB2 2 52 ILE H 3.400 . 5.000 3.463 3.357 3.726 . 0 0 "[ . 1 . 2]" 1
1827 2 52 ILE H 2 53 LYS H 3.900 . 6.000 4.486 4.403 4.539 . 0 0 "[ . 1 . 2]" 1
1828 2 52 ILE H 2 71 LEU HA 3.900 . 6.000 4.680 4.557 4.877 . 0 0 "[ . 1 . 2]" 1
1829 2 52 ILE H 2 71 LEU MD2 3.400 . 6.500 3.953 3.812 4.125 . 0 0 "[ . 1 . 2]" 1
1830 2 52 ILE HA 2 53 LYS H 3.400 . 5.000 2.174 2.122 2.207 . 0 0 "[ . 1 . 2]" 1
1831 2 52 ILE QG 2 53 LYS H 3.400 . 6.000 4.190 4.084 4.284 . 0 0 "[ . 1 . 2]" 1
1832 2 52 ILE MG 2 53 LYS H 2.900 . 5.000 2.578 2.397 2.750 . 0 0 "[ . 1 . 2]" 1
1833 2 53 LYS H 2 54 CYS HB3 3.900 . 6.000 5.775 5.611 5.910 . 0 0 "[ . 1 . 2]" 1
1834 2 53 LYS H 2 54 CYS H 3.400 . 5.000 2.477 2.161 2.650 . 0 0 "[ . 1 . 2]" 1
1835 2 53 LYS H 2 70 VAL H 3.900 . 6.000 4.758 4.607 4.896 . 0 0 "[ . 1 . 2]" 1
1836 2 53 LYS H 2 71 LEU HA 3.400 . 5.000 2.201 2.133 2.337 . 0 0 "[ . 1 . 2]" 1
1837 2 53 LYS H 2 71 LEU MD2 3.400 . 6.500 3.450 3.356 3.515 . 0 0 "[ . 1 . 2]" 1
1838 2 53 LYS H 2 71 LEU H 3.900 . 6.000 4.316 4.239 4.447 . 0 0 "[ . 1 . 2]" 1
1839 2 53 LYS H 2 72 HIS HA 3.900 . 6.000 3.863 3.547 4.269 . 0 0 "[ . 1 . 2]" 1
1840 2 53 LYS H 2 72 HIS HD2 3.900 . 6.000 5.979 5.520 6.110 0.110 13 0 "[ . 1 . 2]" 1
1841 2 53 LYS H 2 72 HIS H 3.400 . 5.000 3.548 3.189 4.064 . 0 0 "[ . 1 . 2]" 1
1842 2 52 ILE HA 2 54 CYS H 3.400 . 5.000 4.213 3.975 4.475 . 0 0 "[ . 1 . 2]" 1
1843 2 52 ILE MG 2 54 CYS H 2.400 . 4.400 2.571 2.240 2.791 . 0 0 "[ . 1 . 2]" 1
1844 2 53 LYS HA 2 54 CYS H 3.400 . 5.000 3.537 3.512 3.561 . 0 0 "[ . 1 . 2]" 1
1845 2 53 LYS HB3 2 54 CYS H 3.400 . 5.000 2.333 2.099 2.601 . 0 0 "[ . 1 . 2]" 1
1846 2 53 LYS HB2 2 54 CYS H 3.400 . 5.000 3.709 3.529 3.895 . 0 0 "[ . 1 . 2]" 1
1847 2 53 LYS QD 2 54 CYS H 3.400 . 6.000 4.318 3.251 5.235 . 0 0 "[ . 1 . 2]" 1
1848 2 53 LYS QE 2 54 CYS H 3.900 . 7.000 4.369 3.589 5.327 . 0 0 "[ . 1 . 2]" 1
1849 2 53 LYS QG 2 54 CYS H 3.400 . 6.000 3.391 2.553 4.178 . 0 0 "[ . 1 . 2]" 1
1850 2 54 CYS H 2 55 GLN HA 3.900 . 6.000 4.453 4.407 4.516 . 0 0 "[ . 1 . 2]" 1
1851 2 54 CYS H 2 55 GLN H 3.900 . 6.000 4.371 4.331 4.402 . 0 0 "[ . 1 . 2]" 1
1852 2 54 CYS H 2 70 VAL HA 3.400 . 5.000 4.912 4.830 5.002 0.002 16 0 "[ . 1 . 2]" 1
1853 2 54 CYS H 2 70 VAL HB 3.400 . 5.000 2.983 2.758 3.234 . 0 0 "[ . 1 . 2]" 1
1854 2 54 CYS H 2 70 VAL H 3.400 . 5.000 3.640 3.536 3.728 . 0 0 "[ . 1 . 2]" 1
1855 2 54 CYS H 2 71 LEU MD2 3.900 . 7.500 4.689 4.532 4.837 . 0 0 "[ . 1 . 2]" 1
1856 2 54 CYS H 2 71 LEU H 3.900 . 6.000 5.202 5.151 5.279 . 0 0 "[ . 1 . 2]" 1
1857 2 54 CYS H 2 72 HIS H 3.900 . 6.000 5.870 5.728 6.056 0.056 7 0 "[ . 1 . 2]" 1
1858 2 55 GLN QE 2 95 LYS HA 3.900 . 7.000 2.517 1.670 3.174 0.130 8 0 "[ . 1 . 2]" 1
1859 2 55 GLN QE 2 95 LYS HB2 3.900 . 7.000 4.256 3.177 5.088 . 0 0 "[ . 1 . 2]" 1
1860 2 55 GLN QE 2 95 LYS QG 3.900 . 8.000 3.158 2.552 3.437 . 0 0 "[ . 1 . 2]" 1
1861 2 55 GLN QE 2 98 LEU MD1 3.900 . 8.500 2.958 2.181 3.434 . 0 0 "[ . 1 . 2]" 1
1862 2 55 GLN QE 2 98 LEU H 3.900 . 7.000 3.549 3.323 3.915 . 0 0 "[ . 1 . 2]" 1
1863 2 55 GLN QE 2 99 GLN HA 3.900 . 7.000 3.592 2.657 5.219 . 0 0 "[ . 1 . 2]" 1
1864 2 55 GLN QE 2 99 GLN QG 3.900 . 8.000 3.007 2.342 4.123 . 0 0 "[ . 1 . 2]" 1
1865 2 55 GLN QE 2 99 GLN H 3.900 . 7.000 2.404 1.799 3.486 0.001 16 0 "[ . 1 . 2]" 1
1866 2 54 CYS HA 2 55 GLN H 3.400 . 5.000 2.680 2.539 2.722 . 0 0 "[ . 1 . 2]" 1
1867 2 54 CYS HB3 2 55 GLN H 2.900 . 3.500 3.513 3.451 3.558 0.058 9 0 "[ . 1 . 2]" 1
1868 2 55 GLN H 2 56 LYS QG 3.900 . 7.000 4.085 4.027 4.164 . 0 0 "[ . 1 . 2]" 1
1869 2 55 GLN H 2 56 LYS H 3.900 . 6.000 4.381 4.363 4.414 . 0 0 "[ . 1 . 2]" 1
1870 2 55 GLN H 2 102 LEU MD1 3.400 . 6.500 3.628 3.345 3.896 . 0 0 "[ . 1 . 2]" 1
1871 2 55 GLN HA 2 56 LYS H 2.900 . 3.500 2.439 2.402 2.465 . 0 0 "[ . 1 . 2]" 1
1872 2 55 GLN QG 2 56 LYS H 3.400 . 6.000 3.947 3.812 4.057 . 0 0 "[ . 1 . 2]" 1
1873 2 56 LYS H 2 57 ILE H 3.900 . 6.000 4.351 4.340 4.361 . 0 0 "[ . 1 . 2]" 1
1874 2 56 LYS H 2 67 LEU HG 3.400 . 5.000 3.424 3.203 3.603 . 0 0 "[ . 1 . 2]" 1
1875 2 56 LYS H 2 68 GLN H 3.400 . 5.000 2.689 2.570 2.789 . 0 0 "[ . 1 . 2]" 1
1876 2 56 LYS H 2 69 LEU HA 3.900 . 6.000 3.728 3.668 3.799 . 0 0 "[ . 1 . 2]" 1
1877 2 56 LYS H 2 69 LEU MD2 3.400 . 6.500 3.919 3.787 4.001 . 0 0 "[ . 1 . 2]" 1
1878 2 56 LYS HA 2 57 ILE H 3.400 . 5.000 2.405 2.374 2.422 . 0 0 "[ . 1 . 2]" 1
1879 2 56 LYS HB3 2 57 ILE H 3.400 . 5.000 2.494 2.407 2.645 . 0 0 "[ . 1 . 2]" 1
1880 2 57 ILE H 2 58 SER H 3.900 . 6.000 4.360 4.331 4.421 . 0 0 "[ . 1 . 2]" 1
1881 2 57 ILE H 2 68 GLN H 3.900 . 6.000 4.521 4.374 4.577 . 0 0 "[ . 1 . 2]" 1
1882 2 57 ILE HA 2 58 SER H 3.400 . 5.000 2.288 2.263 2.310 . 0 0 "[ . 1 . 2]" 1
1883 2 57 ILE HB 2 58 SER H 3.400 . 5.000 3.301 3.202 3.369 . 0 0 "[ . 1 . 2]" 1
1884 2 57 ILE QG 2 58 SER H 3.400 . 6.000 4.263 4.236 4.286 . 0 0 "[ . 1 . 2]" 1
1885 2 58 SER H 2 65 ILE MG 3.400 . 6.500 4.627 4.386 4.874 . 0 0 "[ . 1 . 2]" 1
1886 2 58 SER H 2 66 GLN H 3.400 . 5.000 2.797 2.639 2.884 . 0 0 "[ . 1 . 2]" 1
1887 2 58 SER H 2 67 LEU MD1 3.900 . 7.500 4.917 4.749 5.102 . 0 0 "[ . 1 . 2]" 1
1888 2 58 SER H 2 68 GLN H 3.900 . 6.000 4.597 4.430 4.698 . 0 0 "[ . 1 . 2]" 1
1889 2 59 PRO HA 2 60 GLU H 2.900 . 3.500 2.350 2.284 2.380 . 0 0 "[ . 1 . 2]" 1
1890 2 59 PRO QD 2 60 GLU H 3.900 . 7.000 4.895 4.852 4.928 . 0 0 "[ . 1 . 2]" 1
1891 2 60 GLU H 2 62 LYS H 3.900 . 6.000 4.850 4.681 4.976 . 0 0 "[ . 1 . 2]" 1
1892 2 60 GLU HA 2 61 GLY H 3.400 . 5.000 2.241 2.180 2.353 . 0 0 "[ . 1 . 2]" 1
1893 2 60 GLU QB 2 61 GLY H 3.400 . 6.000 2.964 2.641 3.175 . 0 0 "[ . 1 . 2]" 1
1894 2 60 GLU QG 2 61 GLY H 3.900 . 7.000 4.094 3.560 4.730 . 0 0 "[ . 1 . 2]" 1
1895 2 61 GLY H 2 62 LYS HB2 3.900 . 6.000 4.465 4.313 4.582 . 0 0 "[ . 1 . 2]" 1
1896 2 61 GLY H 2 62 LYS QG 3.900 . 7.000 5.346 5.126 5.462 . 0 0 "[ . 1 . 2]" 1
1897 2 61 GLY H 2 62 LYS H 3.400 . 5.000 2.666 2.486 2.812 . 0 0 "[ . 1 . 2]" 1
1898 2 59 PRO QD 2 62 LYS H 3.900 . 7.000 5.246 4.368 5.425 . 0 0 "[ . 1 . 2]" 1
1899 2 60 GLU HA 2 62 LYS H 3.400 . 5.000 3.398 3.227 3.475 . 0 0 "[ . 1 . 2]" 1
1900 2 60 GLU QG 2 62 LYS H 3.900 . 7.000 5.552 5.245 5.776 . 0 0 "[ . 1 . 2]" 1
1901 2 61 GLY QA 2 62 LYS H 3.400 . 6.000 2.776 2.751 2.856 . 0 0 "[ . 1 . 2]" 1
1902 2 62 LYS H 2 64 LYS H 3.400 . 5.000 4.756 4.399 5.062 0.062 20 0 "[ . 1 . 2]" 1
1903 2 62 LYS H 2 65 ILE MD 3.900 . 7.500 5.633 4.870 6.026 . 0 0 "[ . 1 . 2]" 1
1904 2 62 LYS HA 2 63 ALA H 3.900 . 6.000 2.341 2.257 2.433 . 0 0 "[ . 1 . 2]" 1
1905 2 62 LYS HB2 2 63 ALA H 3.900 . 6.000 4.064 3.890 4.217 . 0 0 "[ . 1 . 2]" 1
1906 2 62 LYS H 2 63 ALA H 3.900 . 6.000 4.625 4.597 4.650 . 0 0 "[ . 1 . 2]" 1
1907 2 63 ALA H 2 64 LYS H 3.900 . 6.000 2.586 2.446 2.714 . 0 0 "[ . 1 . 2]" 1
1908 2 62 LYS HA 2 64 LYS H 3.400 . 5.000 3.836 3.659 4.216 . 0 0 "[ . 1 . 2]" 1
1909 2 62 LYS HB3 2 64 LYS H 3.400 . 5.000 2.165 1.976 2.443 . 0 0 "[ . 1 . 2]" 1
1910 2 62 LYS HB2 2 64 LYS H 3.400 . 5.000 3.399 3.096 3.678 . 0 0 "[ . 1 . 2]" 1
1911 2 62 LYS QE 2 64 LYS H 3.900 . 7.000 5.272 4.391 5.797 . 0 0 "[ . 1 . 2]" 1
1912 2 63 ALA HA 2 64 LYS H 3.400 . 5.000 3.323 3.225 3.491 . 0 0 "[ . 1 . 2]" 1
1913 2 63 ALA MB 2 64 LYS H 2.400 . 4.400 3.131 2.712 3.297 . 0 0 "[ . 1 . 2]" 1
1914 2 64 LYS H 2 65 ILE H 3.400 . 5.000 4.011 3.850 4.268 . 0 0 "[ . 1 . 2]" 1
1915 2 64 LYS H 2 66 GLN QG 3.900 . 7.000 4.814 4.550 5.073 . 0 0 "[ . 1 . 2]" 1
1916 2 64 LYS HA 2 65 ILE H 2.900 . 3.500 2.154 2.106 2.289 . 0 0 "[ . 1 . 2]" 1
1917 2 64 LYS QB 2 65 ILE H 3.400 . 6.000 3.366 2.638 3.639 . 0 0 "[ . 1 . 2]" 1
1918 2 64 LYS QG 2 65 ILE H 3.400 . 6.000 4.352 3.758 4.761 . 0 0 "[ . 1 . 2]" 1
1919 2 65 ILE H 2 66 GLN QG 3.900 . 7.000 3.751 3.551 3.939 . 0 0 "[ . 1 . 2]" 1
1920 2 65 ILE H 2 80 HIS HA 3.900 . 6.000 5.706 5.402 5.852 . 0 0 "[ . 1 . 2]" 1
1921 2 65 ILE H 2 80 HIS HD2 3.400 . 5.000 3.809 3.396 4.181 . 0 0 "[ . 1 . 2]" 1
1922 2 65 ILE H 2 81 PHE HB3 3.900 . 6.000 5.982 5.589 6.054 0.054 13 0 "[ . 1 . 2]" 1
1923 2 65 ILE H 2 81 PHE HB2 3.900 . 6.000 4.495 4.108 4.589 . 0 0 "[ . 1 . 2]" 1
1924 2 58 SER HB3 2 66 GLN QE 3.900 . 7.000 3.013 2.136 4.800 . 0 0 "[ . 1 . 2]" 1
1925 2 58 SER HB2 2 66 GLN QE 3.900 . 7.000 3.615 2.431 5.730 . 0 0 "[ . 1 . 2]" 1
1926 2 64 LYS QB 2 66 GLN QE 3.400 . 7.000 3.550 2.099 4.762 . 0 0 "[ . 1 . 2]" 1
1927 2 64 LYS QG 2 66 GLN QE 3.900 . 8.000 3.882 2.057 5.922 . 0 0 "[ . 1 . 2]" 1
1928 2 66 GLN QE 2 67 LEU H 3.900 . 7.000 4.880 3.612 5.706 . 0 0 "[ . 1 . 2]" 1
1929 2 57 ILE HA 2 66 GLN H 3.900 . 6.000 4.614 4.412 4.766 . 0 0 "[ . 1 . 2]" 1
1930 2 58 SER HB3 2 66 GLN H 3.400 . 5.000 3.540 2.914 3.901 . 0 0 "[ . 1 . 2]" 1
1931 2 65 ILE HA 2 66 GLN H 2.900 . 3.500 2.215 2.183 2.236 . 0 0 "[ . 1 . 2]" 1
1932 2 65 ILE QG 2 66 GLN H 3.900 . 7.000 4.321 4.172 4.440 . 0 0 "[ . 1 . 2]" 1
1933 2 65 ILE MG 2 66 GLN H 3.400 . 6.500 2.975 2.851 3.160 . 0 0 "[ . 1 . 2]" 1
1934 2 66 GLN H 2 67 LEU MD1 3.900 . 7.500 6.075 6.029 6.121 . 0 0 "[ . 1 . 2]" 1
1935 2 66 GLN H 2 67 LEU H 3.900 . 6.000 4.473 4.456 4.489 . 0 0 "[ . 1 . 2]" 1
1936 2 66 GLN H 2 81 PHE QD 3.900 . 8.000 4.181 4.030 4.345 . 0 0 "[ . 1 . 2]" 1
1937 2 17 VAL MG1 2 67 LEU H 3.900 . 7.500 5.035 4.880 5.190 . 0 0 "[ . 1 . 2]" 1
1938 2 58 SER H 2 67 LEU H 3.900 . 6.000 4.405 4.275 4.490 . 0 0 "[ . 1 . 2]" 1
1939 2 65 ILE MG 2 67 LEU H 3.900 . 7.500 5.317 5.125 5.481 . 0 0 "[ . 1 . 2]" 1
1940 2 66 GLN HA 2 67 LEU H 3.400 . 5.000 2.403 2.371 2.435 . 0 0 "[ . 1 . 2]" 1
1941 2 66 GLN HB3 2 67 LEU H 3.400 . 5.000 2.282 2.193 2.370 . 0 0 "[ . 1 . 2]" 1
1942 2 66 GLN HB2 2 67 LEU H 3.400 . 5.000 3.330 3.188 3.481 . 0 0 "[ . 1 . 2]" 1
1943 2 66 GLN QG 2 67 LEU H 3.400 . 6.000 3.903 3.751 4.053 . 0 0 "[ . 1 . 2]" 1
1944 2 67 LEU H 2 68 GLN H 3.900 . 6.000 4.438 4.390 4.460 . 0 0 "[ . 1 . 2]" 1
1945 2 67 LEU H 2 79 PHE HB3 3.900 . 6.000 4.213 4.052 4.421 . 0 0 "[ . 1 . 2]" 1
1946 2 67 LEU H 2 79 PHE HB2 3.900 . 6.000 3.083 2.958 3.215 . 0 0 "[ . 1 . 2]" 1
1947 2 67 LEU H 2 79 PHE QD 3.900 . 8.000 4.659 4.442 4.840 . 0 0 "[ . 1 . 2]" 1
1948 2 67 LEU H 2 80 HIS HA 3.900 . 6.000 3.777 3.479 4.056 . 0 0 "[ . 1 . 2]" 1
1949 2 67 LEU H 2 81 PHE QD 3.900 . 8.000 3.448 3.247 3.746 . 0 0 "[ . 1 . 2]" 1
1950 2 67 LEU H 2 81 PHE QE 3.400 . 7.000 2.702 2.431 3.028 . 0 0 "[ . 1 . 2]" 1
1951 2 68 GLN QE 2 69 LEU H 3.900 . 7.000 5.172 5.005 5.241 . 0 0 "[ . 1 . 2]" 1
1952 2 68 GLN QE 2 70 VAL MG2 3.900 . 8.500 4.524 4.301 4.722 . 0 0 "[ . 1 . 2]" 1
1953 2 68 GLN QE 2 76 THR HB 3.900 . 7.000 3.346 3.138 3.613 . 0 0 "[ . 1 . 2]" 1
1954 2 68 GLN QE 2 77 THR H 3.900 . 7.000 5.355 5.006 5.477 . 0 0 "[ . 1 . 2]" 1
1955 2 68 GLN QE 2 78 ASN HB2 3.900 . 7.000 4.530 4.418 4.732 . 0 0 "[ . 1 . 2]" 1
1956 2 68 GLN QE 2 78 ASN QD 3.900 . 8.000 2.537 2.167 2.753 . 0 0 "[ . 1 . 2]" 1
1957 2 55 GLN HA 2 68 GLN H 3.900 . 6.000 4.780 4.672 4.870 . 0 0 "[ . 1 . 2]" 1
1958 2 55 GLN QG 2 68 GLN H 3.900 . 7.000 5.901 5.702 6.100 . 0 0 "[ . 1 . 2]" 1
1959 2 56 LYS HB3 2 68 GLN H 3.400 . 5.000 4.823 4.721 4.932 . 0 0 "[ . 1 . 2]" 1
1960 2 56 LYS HB2 2 68 GLN H 3.900 . 6.000 3.545 3.304 3.664 . 0 0 "[ . 1 . 2]" 1
1961 2 67 LEU HA 2 68 GLN H 3.400 . 5.000 2.246 2.194 2.287 . 0 0 "[ . 1 . 2]" 1
1962 2 67 LEU HG 2 68 GLN H 3.400 . 5.000 2.120 1.959 2.347 . 0 0 "[ . 1 . 2]" 1
1963 2 68 GLN H 2 69 LEU H 3.900 . 6.000 4.240 4.193 4.353 . 0 0 "[ . 1 . 2]" 1
1964 2 68 GLN H 2 79 PHE HB2 3.900 . 6.000 5.593 5.421 5.959 . 0 0 "[ . 1 . 2]" 1
1965 2 52 ILE MG 2 69 LEU H 3.900 . 7.500 5.370 5.244 5.630 . 0 0 "[ . 1 . 2]" 1
1966 2 68 GLN HA 2 69 LEU H 3.400 . 5.000 2.158 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
1967 2 69 LEU H 2 70 VAL HA 3.900 . 6.000 5.023 4.970 5.054 . 0 0 "[ . 1 . 2]" 1
1968 2 69 LEU H 2 76 THR HB 3.900 . 6.000 4.400 4.265 4.556 . 0 0 "[ . 1 . 2]" 1
1969 2 69 LEU H 2 77 THR HB 3.900 . 6.000 3.186 3.013 3.279 . 0 0 "[ . 1 . 2]" 1
1970 2 69 LEU H 2 77 THR H 3.400 . 5.000 2.462 2.340 2.543 . 0 0 "[ . 1 . 2]" 1
1971 2 55 GLN HA 2 70 VAL H 3.400 . 5.000 2.427 2.249 2.585 . 0 0 "[ . 1 . 2]" 1
1972 2 56 LYS H 2 70 VAL H 3.900 . 6.000 4.180 4.094 4.275 . 0 0 "[ . 1 . 2]" 1
1973 2 69 LEU HA 2 70 VAL H 3.400 . 5.000 2.178 2.166 2.198 . 0 0 "[ . 1 . 2]" 1
1974 2 69 LEU MD2 2 70 VAL H 3.400 . 6.500 3.519 3.445 3.620 . 0 0 "[ . 1 . 2]" 1
1975 2 69 LEU H 2 70 VAL H 3.900 . 6.000 4.312 4.235 4.378 . 0 0 "[ . 1 . 2]" 1
1976 2 70 VAL H 2 71 LEU MD2 3.900 . 7.500 3.944 3.825 4.029 . 0 0 "[ . 1 . 2]" 1
1977 2 70 VAL H 2 71 LEU H 3.900 . 6.000 4.274 4.227 4.342 . 0 0 "[ . 1 . 2]" 1
1978 2 70 VAL H 2 76 THR HA 3.900 . 6.000 4.527 4.472 4.587 . 0 0 "[ . 1 . 2]" 1
1979 2 70 VAL HA 2 71 LEU H 2.900 . 3.500 2.106 2.096 2.114 . 0 0 "[ . 1 . 2]" 1
1980 2 70 VAL HB 2 71 LEU H 3.900 . 6.000 4.382 4.308 4.467 . 0 0 "[ . 1 . 2]" 1
1981 2 70 VAL MG1 2 71 LEU H 3.400 . 6.500 3.027 2.868 3.106 . 0 0 "[ . 1 . 2]" 1
1982 2 71 LEU H 2 72 HIS H 3.900 . 6.000 4.534 4.460 4.574 . 0 0 "[ . 1 . 2]" 1
1983 2 71 LEU H 2 75 ASP HB3 3.900 . 6.000 4.406 4.356 4.438 . 0 0 "[ . 1 . 2]" 1
1984 2 71 LEU H 2 75 ASP HB2 3.900 . 6.000 2.879 2.827 2.924 . 0 0 "[ . 1 . 2]" 1
1985 2 71 LEU H 2 75 ASP H 3.400 . 5.000 3.109 2.947 3.249 . 0 0 "[ . 1 . 2]" 1
1986 2 71 LEU H 2 76 THR HA 3.400 . 5.000 3.245 3.167 3.338 . 0 0 "[ . 1 . 2]" 1
1987 2 71 LEU H 2 76 THR HB 3.900 . 6.000 5.620 5.440 5.696 . 0 0 "[ . 1 . 2]" 1
1988 2 71 LEU H 2 76 THR MG 3.400 . 6.500 3.622 3.564 3.706 . 0 0 "[ . 1 . 2]" 1
1989 2 71 LEU H 2 77 THR H 3.400 . 5.000 4.760 4.568 5.013 0.013 12 0 "[ . 1 . 2]" 1
1990 2 51 ASP HA 2 72 HIS H 3.900 . 6.000 4.277 3.936 4.639 . 0 0 "[ . 1 . 2]" 1
1991 2 52 ILE HA 2 72 HIS H 3.400 . 5.000 3.504 3.232 3.846 . 0 0 "[ . 1 . 2]" 1
1992 2 53 LYS HA 2 72 HIS H 3.900 . 6.000 4.979 4.688 5.409 . 0 0 "[ . 1 . 2]" 1
1993 2 53 LYS HB3 2 72 HIS H 3.400 . 5.000 4.646 4.109 4.911 . 0 0 "[ . 1 . 2]" 1
1994 2 53 LYS HB2 2 72 HIS H 3.400 . 5.000 3.699 3.379 4.146 . 0 0 "[ . 1 . 2]" 1
1995 2 71 LEU HA 2 72 HIS H 3.400 . 5.000 2.586 2.501 2.710 . 0 0 "[ . 1 . 2]" 1
1996 2 71 LEU HB3 2 72 HIS H 3.400 . 5.000 2.086 1.927 2.213 . 0 0 "[ . 1 . 2]" 1
1997 2 71 LEU MD1 2 72 HIS H 3.400 . 6.500 3.749 3.663 3.841 . 0 0 "[ . 1 . 2]" 1
1998 2 71 LEU MD2 2 72 HIS H 3.400 . 6.500 3.736 3.666 3.815 . 0 0 "[ . 1 . 2]" 1
1999 2 72 HIS H 2 73 ALA MB 3.400 . 6.500 4.541 4.404 4.632 . 0 0 "[ . 1 . 2]" 1
2000 2 72 HIS H 2 73 ALA H 3.900 . 6.000 2.834 2.679 2.943 . 0 0 "[ . 1 . 2]" 1
2001 2 72 HIS H 2 74 GLY H 3.900 . 6.000 4.100 4.014 4.227 . 0 0 "[ . 1 . 2]" 1
2002 2 71 LEU HB3 2 73 ALA H 3.900 . 6.000 3.342 3.067 3.523 . 0 0 "[ . 1 . 2]" 1
2003 2 72 HIS HB2 2 73 ALA H 3.900 . 6.000 2.809 2.599 3.194 . 0 0 "[ . 1 . 2]" 1
2004 2 73 ALA H 2 74 GLY H 3.900 . 6.000 2.528 2.438 2.574 . 0 0 "[ . 1 . 2]" 1
2005 2 70 VAL MG1 2 74 GLY H 3.400 . 6.500 3.725 3.547 3.891 . 0 0 "[ . 1 . 2]" 1
2006 2 71 LEU HA 2 74 GLY H 3.400 . 5.000 4.829 4.707 5.020 0.020 7 0 "[ . 1 . 2]" 1
2007 2 71 LEU HB2 2 74 GLY H 3.400 . 5.000 3.341 3.105 3.759 . 0 0 "[ . 1 . 2]" 1
2008 2 71 LEU MD1 2 74 GLY H 3.900 . 7.500 5.316 5.081 5.699 . 0 0 "[ . 1 . 2]" 1
2009 2 71 LEU MD2 2 74 GLY H 3.900 . 7.500 5.474 5.352 5.707 . 0 0 "[ . 1 . 2]" 1
2010 2 71 LEU H 2 74 GLY H 3.400 . 5.000 4.112 4.009 4.264 . 0 0 "[ . 1 . 2]" 1
2011 2 72 HIS HB2 2 74 GLY H 3.900 . 6.000 4.896 4.777 5.094 . 0 0 "[ . 1 . 2]" 1
2012 2 73 ALA HA 2 74 GLY H 3.400 . 5.000 3.337 3.121 3.441 . 0 0 "[ . 1 . 2]" 1
2013 2 73 ALA MB 2 74 GLY H 2.900 . 5.000 3.103 2.884 3.486 . 0 0 "[ . 1 . 2]" 1
2014 2 74 GLY H 2 75 ASP HB3 3.900 . 6.000 5.332 5.086 5.759 . 0 0 "[ . 1 . 2]" 1
2015 2 74 GLY H 2 75 ASP HB2 3.900 . 6.000 4.410 4.204 4.787 . 0 0 "[ . 1 . 2]" 1
2016 2 70 VAL HA 2 75 ASP H 3.400 . 5.000 4.565 4.435 4.724 . 0 0 "[ . 1 . 2]" 1
2017 2 70 VAL MG2 2 75 ASP H 3.400 . 6.500 5.474 5.382 5.516 . 0 0 "[ . 1 . 2]" 1
2018 2 71 LEU HB2 2 75 ASP H 2.900 . 3.500 2.372 2.248 2.518 . 0 0 "[ . 1 . 2]" 1
2019 2 71 LEU MD1 2 75 ASP H 3.400 . 6.500 4.428 4.359 4.528 . 0 0 "[ . 1 . 2]" 1
2020 2 71 LEU MD2 2 75 ASP H 3.400 . 6.500 4.771 4.647 4.896 . 0 0 "[ . 1 . 2]" 1
2021 2 73 ALA MB 2 75 ASP H 2.900 . 5.000 3.357 3.231 3.511 . 0 0 "[ . 1 . 2]" 1
2022 2 73 ALA H 2 75 ASP H 3.900 . 6.000 3.395 3.001 3.636 . 0 0 "[ . 1 . 2]" 1
2023 2 74 GLY QA 2 75 ASP H 3.400 . 6.000 2.790 2.720 2.872 . 0 0 "[ . 1 . 2]" 1
2024 2 75 ASP H 2 76 THR MG 3.900 . 7.500 4.442 4.321 4.541 . 0 0 "[ . 1 . 2]" 1
2025 2 75 ASP H 2 76 THR H 3.400 . 5.000 4.600 4.569 4.635 . 0 0 "[ . 1 . 2]" 1
2026 2 70 VAL HA 2 76 THR H 3.400 . 5.000 4.753 4.705 4.786 . 0 0 "[ . 1 . 2]" 1
2027 2 70 VAL MG2 2 76 THR H 3.900 . 7.500 5.383 5.224 5.513 . 0 0 "[ . 1 . 2]" 1
2028 2 71 LEU MD1 2 76 THR H 3.900 . 7.500 5.080 4.944 5.187 . 0 0 "[ . 1 . 2]" 1
2029 2 71 LEU MD2 2 76 THR H 3.900 . 7.500 5.217 5.129 5.282 . 0 0 "[ . 1 . 2]" 1
2030 2 71 LEU H 2 76 THR H 3.900 . 6.000 4.464 4.377 4.519 . 0 0 "[ . 1 . 2]" 1
2031 2 75 ASP HA 2 76 THR H 2.400 . 2.900 2.394 2.342 2.452 . 0 0 "[ . 1 . 2]" 1
2032 2 75 ASP HB3 2 76 THR H 2.400 . 2.900 2.861 2.742 2.926 0.026 17 0 "[ . 1 . 2]" 1
2033 2 75 ASP HB2 2 76 THR H 2.900 . 3.500 3.453 3.339 3.532 0.032 4 0 "[ . 1 . 2]" 1
2034 2 76 THR H 2 77 THR H 3.400 . 5.000 4.241 4.200 4.354 . 0 0 "[ . 1 . 2]" 1
2035 2 68 GLN QG 2 77 THR H 3.900 . 7.000 3.393 3.061 3.548 . 0 0 "[ . 1 . 2]" 1
2036 2 69 LEU HB2 2 77 THR H 3.900 . 6.000 2.613 2.471 2.933 . 0 0 "[ . 1 . 2]" 1
2037 2 70 VAL MG2 2 77 THR H 3.400 . 6.500 4.613 4.474 4.721 . 0 0 "[ . 1 . 2]" 1
2038 2 71 LEU MD2 2 77 THR H 3.900 . 7.500 4.127 3.973 4.495 . 0 0 "[ . 1 . 2]" 1
2039 2 76 THR HA 2 77 THR H 2.900 . 3.500 2.130 2.108 2.201 . 0 0 "[ . 1 . 2]" 1
2040 2 76 THR HB 2 77 THR H 3.400 . 5.000 3.157 2.808 3.255 . 0 0 "[ . 1 . 2]" 1
2041 2 76 THR MG 2 77 THR H 3.400 . 6.500 3.636 3.352 3.919 . 0 0 "[ . 1 . 2]" 1
2042 2 77 THR H 2 78 ASN H 3.900 . 6.000 4.238 4.117 4.364 . 0 0 "[ . 1 . 2]" 1
2043 2 68 GLN HB3 2 78 ASN QD 3.900 . 7.000 5.683 5.369 5.909 . 0 0 "[ . 1 . 2]" 1
2044 2 68 GLN HB2 2 78 ASN QD 3.900 . 7.000 4.206 3.851 4.505 . 0 0 "[ . 1 . 2]" 1
2045 2 78 ASN QD 2 79 PHE H 3.900 . 7.000 4.817 4.506 5.258 . 0 0 "[ . 1 . 2]" 1
2046 2 69 LEU H 2 78 ASN H 3.900 . 6.000 4.777 4.596 4.918 . 0 0 "[ . 1 . 2]" 1
2047 2 76 THR HA 2 78 ASN H 3.900 . 6.000 5.784 5.533 6.021 0.021 11 0 "[ . 1 . 2]" 1
2048 2 77 THR HA 2 78 ASN H 2.400 . 2.900 2.169 2.156 2.185 . 0 0 "[ . 1 . 2]" 1
2049 2 77 THR HB 2 78 ASN H 3.900 . 6.000 4.060 3.931 4.202 . 0 0 "[ . 1 . 2]" 1
2050 2 77 THR MG 2 78 ASN H 2.900 . 5.000 3.010 2.796 3.274 . 0 0 "[ . 1 . 2]" 1
2051 2 78 ASN H 2 79 PHE H 3.900 . 6.000 4.476 4.358 4.536 . 0 0 "[ . 1 . 2]" 1
2052 2 19 GLN HA 2 79 PHE H 3.900 . 6.000 5.553 5.240 5.796 . 0 0 "[ . 1 . 2]" 1
2053 2 66 GLN HA 2 79 PHE H 3.900 . 6.000 4.886 4.673 5.163 . 0 0 "[ . 1 . 2]" 1
2054 2 67 LEU HB2 2 79 PHE H 3.900 . 6.000 4.963 4.795 5.211 . 0 0 "[ . 1 . 2]" 1
2055 2 67 LEU MD2 2 79 PHE H 3.400 . 6.500 4.639 4.498 4.864 . 0 0 "[ . 1 . 2]" 1
2056 2 68 GLN HA 2 79 PHE H 3.400 . 5.000 3.531 3.252 3.793 . 0 0 "[ . 1 . 2]" 1
2057 2 68 GLN QG 2 79 PHE H 3.900 . 7.000 5.135 4.909 5.376 . 0 0 "[ . 1 . 2]" 1
2058 2 77 THR MG 2 79 PHE H 3.400 . 6.500 5.115 4.807 5.220 . 0 0 "[ . 1 . 2]" 1
2059 2 78 ASN HA 2 79 PHE H 2.900 . 3.500 2.125 2.089 2.154 . 0 0 "[ . 1 . 2]" 1
2060 2 79 PHE H 2 80 HIS H 3.400 . 5.000 4.062 3.980 4.175 . 0 0 "[ . 1 . 2]" 1
2061 2 17 VAL HA 2 80 HIS H 3.900 . 6.000 4.673 4.464 4.961 . 0 0 "[ . 1 . 2]" 1
2062 2 17 VAL MG1 2 80 HIS H 3.400 . 6.500 2.993 2.799 3.219 . 0 0 "[ . 1 . 2]" 1
2063 2 18 ARG HB3 2 80 HIS H 3.400 . 5.000 4.687 4.305 5.023 0.023 14 0 "[ . 1 . 2]" 1
2064 2 18 ARG HB2 2 80 HIS H 3.400 . 5.000 3.956 3.615 4.327 . 0 0 "[ . 1 . 2]" 1
2065 2 19 GLN HA 2 80 HIS H 3.900 . 6.000 3.468 3.273 3.582 . 0 0 "[ . 1 . 2]" 1
2066 2 19 GLN QG 2 80 HIS H 3.900 . 7.000 4.643 4.236 6.121 . 0 0 "[ . 1 . 2]" 1
2067 2 20 LYS H 2 80 HIS H 3.900 . 6.000 4.613 4.334 4.849 . 0 0 "[ . 1 . 2]" 1
2068 2 66 GLN HA 2 80 HIS H 3.900 . 6.000 5.144 4.880 5.406 . 0 0 "[ . 1 . 2]" 1
2069 2 79 PHE HA 2 80 HIS H 3.400 . 5.000 2.138 2.118 2.156 . 0 0 "[ . 1 . 2]" 1
2070 2 79 PHE HB3 2 80 HIS H 3.400 . 5.000 3.719 3.628 3.774 . 0 0 "[ . 1 . 2]" 1
2071 2 79 PHE HB2 2 80 HIS H 3.900 . 6.000 4.423 4.374 4.462 . 0 0 "[ . 1 . 2]" 1
2072 2 79 PHE QD 2 80 HIS H 3.400 . 7.000 3.998 3.845 4.172 . 0 0 "[ . 1 . 2]" 1
2073 2 17 VAL MG1 2 81 PHE H 3.900 . 7.500 4.139 3.886 4.280 . 0 0 "[ . 1 . 2]" 1
2074 2 64 LYS QB 2 81 PHE H 3.900 . 7.000 4.640 4.199 4.917 . 0 0 "[ . 1 . 2]" 1
2075 2 65 ILE HB 2 81 PHE H 3.900 . 6.000 4.485 4.137 4.750 . 0 0 "[ . 1 . 2]" 1
2076 2 65 ILE MG 2 81 PHE H 3.400 . 6.500 4.551 4.316 4.784 . 0 0 "[ . 1 . 2]" 1
2077 2 66 GLN HA 2 81 PHE H 3.900 . 6.000 2.608 2.341 2.796 . 0 0 "[ . 1 . 2]" 1
2078 2 66 GLN QG 2 81 PHE H 3.400 . 6.000 2.750 2.276 3.054 . 0 0 "[ . 1 . 2]" 1
2079 2 80 HIS HA 2 81 PHE H 3.400 . 5.000 2.139 2.124 2.163 . 0 0 "[ . 1 . 2]" 1
2080 2 80 HIS HD2 2 81 PHE H 3.400 . 5.000 2.349 2.163 2.609 . 0 0 "[ . 1 . 2]" 1
2081 2 81 PHE H 2 82 SER H 3.900 . 6.000 3.938 3.797 4.131 . 0 0 "[ . 1 . 2]" 1
2082 2 81 PHE H 2 87 ALA MB 3.900 . 7.500 4.517 4.313 4.802 . 0 0 "[ . 1 . 2]" 1
2083 2 17 VAL HA 2 82 SER H 3.400 . 5.000 2.374 2.216 2.528 . 0 0 "[ . 1 . 2]" 1
2084 2 17 VAL MG2 2 82 SER H 3.400 . 6.500 3.698 3.552 3.827 . 0 0 "[ . 1 . 2]" 1
2085 2 80 HIS HD2 2 82 SER H 3.900 . 6.000 4.026 3.497 4.306 . 0 0 "[ . 1 . 2]" 1
2086 2 81 PHE HA 2 82 SER H 2.900 . 3.500 2.272 2.181 2.330 . 0 0 "[ . 1 . 2]" 1
2087 2 81 PHE HB3 2 82 SER H 3.400 . 5.000 4.110 3.936 4.193 . 0 0 "[ . 1 . 2]" 1
2088 2 81 PHE HB2 2 82 SER H 3.400 . 5.000 4.486 4.459 4.520 . 0 0 "[ . 1 . 2]" 1
2089 2 81 PHE QD 2 82 SER H 3.900 . 8.000 4.825 4.747 4.890 . 0 0 "[ . 1 . 2]" 1
2090 2 82 SER H 2 83 ASN H 3.400 . 5.000 2.825 2.609 3.146 . 0 0 "[ . 1 . 2]" 1
2091 2 82 SER H 2 87 ALA MB 3.400 . 6.500 4.921 4.655 5.130 . 0 0 "[ . 1 . 2]" 1
2092 2 16 LYS HB2 2 83 ASN QD 3.900 . 7.000 3.768 2.960 4.324 . 0 0 "[ . 1 . 2]" 1
2093 2 16 LYS QG 2 83 ASN QD 3.900 . 8.000 4.793 3.096 5.761 . 0 0 "[ . 1 . 2]" 1
2094 2 83 ASN QD 2 84 GLU H 3.900 . 7.000 5.057 2.781 5.334 . 0 0 "[ . 1 . 2]" 1
2095 2 83 ASN QD 2 85 SER QB 3.900 . 8.000 2.818 2.115 3.989 . 0 0 "[ . 1 . 2]" 1
2096 2 83 ASN QD 2 86 THR MG 3.400 . 7.500 4.292 3.839 5.560 . 0 0 "[ . 1 . 2]" 1
2097 2 83 ASN QD 2 86 THR H 3.400 . 6.000 2.871 2.252 3.546 . 0 0 "[ . 1 . 2]" 1
2098 2 16 LYS HB3 2 83 ASN H 3.400 . 5.000 3.382 2.835 4.281 . 0 0 "[ . 1 . 2]" 1
2099 2 16 LYS HB2 2 83 ASN H 3.400 . 5.000 3.969 3.464 4.714 . 0 0 "[ . 1 . 2]" 1
2100 2 16 LYS QG 2 83 ASN H 3.900 . 7.000 5.237 4.731 5.997 . 0 0 "[ . 1 . 2]" 1
2101 2 17 VAL MG2 2 83 ASN H 3.900 . 7.500 4.424 4.145 4.709 . 0 0 "[ . 1 . 2]" 1
2102 2 81 PHE HA 2 83 ASN H 3.400 . 5.000 3.303 3.184 3.514 . 0 0 "[ . 1 . 2]" 1
2103 2 81 PHE HB2 2 83 ASN H 3.400 . 5.000 4.268 4.072 4.672 . 0 0 "[ . 1 . 2]" 1
2104 2 82 SER HA 2 83 ASN H 3.400 . 5.000 3.126 2.846 3.389 . 0 0 "[ . 1 . 2]" 1
2105 2 82 SER HB3 2 83 ASN H 3.900 . 6.000 4.621 4.467 4.682 . 0 0 "[ . 1 . 2]" 1
2106 2 82 SER HB2 2 83 ASN H 3.900 . 6.000 4.174 3.842 4.325 . 0 0 "[ . 1 . 2]" 1
2107 2 83 ASN H 2 84 GLU H 3.400 . 5.000 4.123 3.920 4.291 . 0 0 "[ . 1 . 2]" 1
2108 2 83 ASN H 2 87 ALA MB 3.400 . 6.500 3.265 2.812 3.903 . 0 0 "[ . 1 . 2]" 1
2109 2 83 ASN H 2 87 ALA H 3.900 . 6.000 4.934 4.576 5.494 . 0 0 "[ . 1 . 2]" 1
2110 2 16 LYS QD 2 84 GLU H 3.900 . 7.000 4.244 2.830 5.777 . 0 0 "[ . 1 . 2]" 1
2111 2 83 ASN HA 2 84 GLU H 2.400 . 2.900 2.179 2.130 2.221 . 0 0 "[ . 1 . 2]" 1
2112 2 83 ASN HB3 2 84 GLU H 3.400 . 5.000 4.353 4.279 4.493 . 0 0 "[ . 1 . 2]" 1
2113 2 83 ASN HB2 2 84 GLU H 3.400 . 5.000 4.545 4.469 4.617 . 0 0 "[ . 1 . 2]" 1
2114 2 84 GLU H 2 85 SER HA 3.900 . 6.000 5.304 5.189 5.467 . 0 0 "[ . 1 . 2]" 1
2115 2 84 GLU H 2 86 THR H 3.900 . 6.000 4.919 4.542 5.141 . 0 0 "[ . 1 . 2]" 1
2116 2 84 GLU H 2 87 ALA MB 3.900 . 7.500 4.277 4.045 4.506 . 0 0 "[ . 1 . 2]" 1
2117 2 84 GLU H 2 87 ALA H 3.900 . 6.000 5.129 4.958 5.246 . 0 0 "[ . 1 . 2]" 1
2118 2 84 GLU QB 2 85 SER H 3.900 . 7.000 3.293 2.674 3.743 . 0 0 "[ . 1 . 2]" 1
2119 2 85 SER H 2 86 THR H 3.900 . 6.000 2.799 2.450 3.074 . 0 0 "[ . 1 . 2]" 1
2120 2 83 ASN HB3 2 86 THR H 3.400 . 5.000 3.145 2.751 3.683 . 0 0 "[ . 1 . 2]" 1
2121 2 83 ASN HB2 2 86 THR H 3.400 . 5.000 4.571 4.132 4.783 . 0 0 "[ . 1 . 2]" 1
2122 2 83 ASN H 2 86 THR H 3.900 . 6.000 5.418 5.176 5.661 . 0 0 "[ . 1 . 2]" 1
2123 2 84 GLU QB 2 86 THR H 3.900 . 7.000 5.453 5.072 5.706 . 0 0 "[ . 1 . 2]" 1
2124 2 85 SER HA 2 86 THR H 3.400 . 5.000 3.594 3.569 3.606 . 0 0 "[ . 1 . 2]" 1
2125 2 85 SER QB 2 86 THR H 2.900 . 4.500 2.358 2.116 3.087 . 0 0 "[ . 1 . 2]" 1
2126 2 86 THR H 2 87 ALA HA 3.400 . 5.000 4.246 4.197 4.318 . 0 0 "[ . 1 . 2]" 1
2127 2 86 THR H 2 87 ALA MB 3.400 . 6.500 4.129 4.042 4.217 . 0 0 "[ . 1 . 2]" 1
2128 2 86 THR H 2 87 ALA H 2.400 . 2.900 2.614 2.520 2.727 . 0 0 "[ . 1 . 2]" 1
2129 2 86 THR H 2 89 LYS QB 3.900 . 7.000 5.288 4.841 5.970 . 0 0 "[ . 1 . 2]" 1
2130 2 65 ILE MD 2 87 ALA H 3.400 . 6.500 4.688 4.356 5.083 . 0 0 "[ . 1 . 2]" 1
2131 2 83 ASN HB3 2 87 ALA H 3.400 . 5.000 3.679 3.158 4.269 . 0 0 "[ . 1 . 2]" 1
2132 2 84 GLU HA 2 87 ALA H 3.400 . 5.000 3.866 3.459 4.061 . 0 0 "[ . 1 . 2]" 1
2133 2 85 SER HA 2 87 ALA H 3.400 . 5.000 4.724 4.612 4.788 . 0 0 "[ . 1 . 2]" 1
2134 2 85 SER H 2 87 ALA H 3.900 . 6.000 4.020 3.627 4.316 . 0 0 "[ . 1 . 2]" 1
2135 2 86 THR HA 2 87 ALA H 3.400 . 5.000 2.877 2.797 2.996 . 0 0 "[ . 1 . 2]" 1
2136 2 86 THR MG 2 87 ALA H 3.400 . 6.500 4.446 4.413 4.497 . 0 0 "[ . 1 . 2]" 1
2137 2 87 ALA H 2 88 VAL HB 3.400 . 5.000 5.077 5.036 5.116 0.116 16 0 "[ . 1 . 2]" 1
2138 2 87 ALA H 2 88 VAL H 3.400 . 5.000 3.007 2.839 3.131 . 0 0 "[ . 1 . 2]" 1
2139 2 87 ALA H 2 90 GLU QG 3.400 . 6.000 5.004 4.137 5.188 . 0 0 "[ . 1 . 2]" 1
2140 2 65 ILE HB 2 88 VAL H 3.900 . 6.000 4.460 4.119 4.883 . 0 0 "[ . 1 . 2]" 1
2141 2 65 ILE MD 2 88 VAL H 3.400 . 6.500 2.975 2.769 3.216 . 0 0 "[ . 1 . 2]" 1
2142 2 84 GLU HA 2 88 VAL H 3.900 . 6.000 5.852 5.305 6.086 0.086 3 0 "[ . 1 . 2]" 1
2143 2 86 THR HA 2 88 VAL H 3.900 . 6.000 3.997 3.485 4.488 . 0 0 "[ . 1 . 2]" 1
2144 2 86 THR H 2 88 VAL H 3.900 . 6.000 5.375 5.127 5.684 . 0 0 "[ . 1 . 2]" 1
2145 2 87 ALA HA 2 88 VAL H 3.400 . 5.000 3.542 3.503 3.559 . 0 0 "[ . 1 . 2]" 1
2146 2 87 ALA MB 2 88 VAL H 2.900 . 5.000 2.227 1.956 2.561 . 0 0 "[ . 1 . 2]" 1
2147 2 88 VAL H 2 89 LYS QD 3.400 . 6.000 4.872 3.374 5.566 . 0 0 "[ . 1 . 2]" 1
2148 2 88 VAL H 2 89 LYS H 2.900 . 3.500 2.682 2.475 2.873 . 0 0 "[ . 1 . 2]" 1
2149 2 88 VAL H 2 90 GLU H 3.400 . 5.000 4.336 4.085 4.562 . 0 0 "[ . 1 . 2]" 1
2150 2 65 ILE MG 2 89 LYS H 3.400 . 6.500 5.170 4.698 5.263 . 0 0 "[ . 1 . 2]" 1
2151 2 86 THR HA 2 89 LYS H 3.400 . 5.000 3.440 3.268 3.653 . 0 0 "[ . 1 . 2]" 1
2152 2 88 VAL HA 2 89 LYS H 3.400 . 5.000 3.532 3.502 3.583 . 0 0 "[ . 1 . 2]" 1
2153 2 88 VAL MG1 2 89 LYS H 2.900 . 5.000 3.296 2.957 3.489 . 0 0 "[ . 1 . 2]" 1
2154 2 88 VAL MG2 2 89 LYS H 3.400 . 6.500 3.880 3.783 3.956 . 0 0 "[ . 1 . 2]" 1
2155 2 89 LYS H 2 90 GLU QG 3.400 . 6.000 4.522 4.006 4.730 . 0 0 "[ . 1 . 2]" 1
2156 2 89 LYS H 2 90 GLU H 2.900 . 3.500 2.710 2.499 2.876 . 0 0 "[ . 1 . 2]" 1
2157 2 81 PHE QE 2 90 GLU H 3.900 . 8.000 5.637 5.233 5.898 . 0 0 "[ . 1 . 2]" 1
2158 2 86 THR HB 2 90 GLU H 3.400 . 5.000 2.805 2.693 3.051 . 0 0 "[ . 1 . 2]" 1
2159 2 86 THR MG 2 90 GLU H 3.400 . 6.500 4.160 3.942 4.505 . 0 0 "[ . 1 . 2]" 1
2160 2 87 ALA HA 2 90 GLU H 3.400 . 5.000 3.899 3.737 4.052 . 0 0 "[ . 1 . 2]" 1
2161 2 88 VAL HA 2 90 GLU H 3.900 . 6.000 4.743 4.603 4.858 . 0 0 "[ . 1 . 2]" 1
2162 2 88 VAL MG1 2 90 GLU H 3.400 . 6.500 5.105 4.758 5.283 . 0 0 "[ . 1 . 2]" 1
2163 2 89 LYS QB 2 90 GLU H 2.900 . 4.500 2.628 2.332 3.110 . 0 0 "[ . 1 . 2]" 1
2164 2 89 LYS QD 2 90 GLU H 3.400 . 6.000 4.180 2.445 4.941 . 0 0 "[ . 1 . 2]" 1
2165 2 89 LYS QG 2 90 GLU H 3.400 . 6.000 4.279 3.651 4.704 . 0 0 "[ . 1 . 2]" 1
2166 2 90 GLU H 2 91 ARG HB2 3.900 . 6.000 4.890 4.500 5.134 . 0 0 "[ . 1 . 2]" 1
2167 2 90 GLU H 2 91 ARG H 3.400 . 5.000 2.525 2.438 2.648 . 0 0 "[ . 1 . 2]" 1
2168 2 14 VAL MG1 2 91 ARG H 3.400 . 6.500 4.626 4.465 4.814 . 0 0 "[ . 1 . 2]" 1
2169 2 81 PHE QD 2 91 ARG H 3.400 . 7.000 3.955 3.722 4.155 . 0 0 "[ . 1 . 2]" 1
2170 2 81 PHE QE 2 91 ARG H 3.900 . 8.000 4.268 4.105 4.445 . 0 0 "[ . 1 . 2]" 1
2171 2 81 PHE HZ 2 91 ARG H 3.900 . 6.000 5.177 5.043 5.403 . 0 0 "[ . 1 . 2]" 1
2172 2 87 ALA HA 2 91 ARG H 3.400 . 5.000 4.092 4.014 4.186 . 0 0 "[ . 1 . 2]" 1
2173 2 88 VAL HA 2 91 ARG H 3.400 . 5.000 3.720 3.430 4.033 . 0 0 "[ . 1 . 2]" 1
2174 2 90 GLU HA 2 91 ARG H 3.400 . 5.000 3.494 3.466 3.525 . 0 0 "[ . 1 . 2]" 1
2175 2 90 GLU HB3 2 91 ARG H 3.400 . 5.000 3.783 3.635 3.948 . 0 0 "[ . 1 . 2]" 1
2176 2 90 GLU HB2 2 91 ARG H 3.400 . 5.000 2.851 2.708 2.954 . 0 0 "[ . 1 . 2]" 1
2177 2 91 ARG H 2 93 ALA H 3.900 . 6.000 3.957 3.850 4.040 . 0 0 "[ . 1 . 2]" 1
2178 2 81 PHE QE 2 92 ASP H 3.900 . 8.000 5.557 5.477 5.636 . 0 0 "[ . 1 . 2]" 1
2179 2 81 PHE HZ 2 92 ASP H 3.900 . 6.000 6.046 6.010 6.067 0.067 5 0 "[ . 1 . 2]" 1
2180 2 88 VAL HA 2 92 ASP H 3.400 . 5.000 4.230 3.878 4.678 . 0 0 "[ . 1 . 2]" 1
2181 2 88 VAL MG1 2 92 ASP H 3.400 . 6.500 4.123 3.908 4.343 . 0 0 "[ . 1 . 2]" 1
2182 2 89 LYS HA 2 92 ASP H 3.400 . 5.000 3.401 2.749 3.765 . 0 0 "[ . 1 . 2]" 1
2183 2 89 LYS H 2 92 ASP H 3.900 . 6.000 4.694 4.417 4.864 . 0 0 "[ . 1 . 2]" 1
2184 2 91 ARG HB2 2 92 ASP H 3.400 . 5.000 3.750 3.584 3.893 . 0 0 "[ . 1 . 2]" 1
2185 2 91 ARG QD 2 92 ASP H 3.900 . 7.000 3.510 2.743 4.631 . 0 0 "[ . 1 . 2]" 1
2186 2 92 ASP H 2 93 ALA MB 3.400 . 6.500 4.311 4.267 4.376 . 0 0 "[ . 1 . 2]" 1
2187 2 92 ASP H 2 93 ALA H 2.900 . 3.500 2.641 2.585 2.741 . 0 0 "[ . 1 . 2]" 1
2188 2 92 ASP H 2 95 LYS HB3 3.400 . 5.000 4.427 4.182 4.771 . 0 0 "[ . 1 . 2]" 1
2189 2 12 LEU MD1 2 93 ALA H 3.400 . 6.500 5.289 5.252 5.328 . 0 0 "[ . 1 . 2]" 1
2190 2 12 LEU MD2 2 93 ALA H 3.400 . 6.500 4.402 4.233 4.568 . 0 0 "[ . 1 . 2]" 1
2191 2 90 GLU HA 2 93 ALA H 3.400 . 5.000 3.183 3.082 3.281 . 0 0 "[ . 1 . 2]" 1
2192 2 92 ASP HB3 2 93 ALA H 3.400 . 5.000 3.468 3.273 3.718 . 0 0 "[ . 1 . 2]" 1
2193 2 92 ASP HB2 2 93 ALA H 3.400 . 5.000 2.886 2.652 3.122 . 0 0 "[ . 1 . 2]" 1
2194 2 93 ALA H 2 94 VAL HA 3.900 . 6.000 5.324 5.246 5.385 . 0 0 "[ . 1 . 2]" 1
2195 2 93 ALA H 2 94 VAL HB 3.400 . 5.000 4.944 4.753 5.023 0.023 4 0 "[ . 1 . 2]" 1
2196 2 93 ALA H 2 94 VAL MG2 3.400 . 6.500 4.199 4.041 4.340 . 0 0 "[ . 1 . 2]" 1
2197 2 93 ALA H 2 95 LYS HB3 3.400 . 5.000 4.620 4.308 4.948 . 0 0 "[ . 1 . 2]" 1
2198 2 93 ALA H 2 95 LYS H 3.400 . 5.000 3.927 3.753 4.152 . 0 0 "[ . 1 . 2]" 1
2199 2 12 LEU MD2 2 94 VAL H 3.400 . 6.500 2.997 2.915 3.089 . 0 0 "[ . 1 . 2]" 1
2200 2 81 PHE QE 2 94 VAL H 3.900 . 8.000 4.339 4.062 4.454 . 0 0 "[ . 1 . 2]" 1
2201 2 91 ARG HA 2 94 VAL H 3.400 . 5.000 3.628 3.378 3.779 . 0 0 "[ . 1 . 2]" 1
2202 2 92 ASP H 2 94 VAL H 3.900 . 6.000 4.264 4.149 4.362 . 0 0 "[ . 1 . 2]" 1
2203 2 93 ALA MB 2 94 VAL H 2.900 . 5.000 2.461 2.347 2.554 . 0 0 "[ . 1 . 2]" 1
2204 2 94 VAL H 2 95 LYS HB3 3.400 . 5.000 4.308 4.044 4.787 . 0 0 "[ . 1 . 2]" 1
2205 2 94 VAL H 2 95 LYS HB2 3.400 . 5.000 4.979 4.648 5.096 0.096 12 0 "[ . 1 . 2]" 1
2206 2 94 VAL H 2 95 LYS H 2.900 . 3.500 2.440 2.359 2.625 . 0 0 "[ . 1 . 2]" 1
2207 2 55 GLN QE 2 95 LYS H 3.900 . 7.000 4.994 4.308 5.581 . 0 0 "[ . 1 . 2]" 1
2208 2 81 PHE HZ 2 95 LYS H 3.900 . 6.000 4.698 4.393 4.918 . 0 0 "[ . 1 . 2]" 1
2209 2 91 ARG QD 2 95 LYS H 3.400 . 6.000 4.406 3.726 5.432 . 0 0 "[ . 1 . 2]" 1
2210 2 92 ASP HA 2 95 LYS H 3.400 . 5.000 3.285 3.033 3.474 . 0 0 "[ . 1 . 2]" 1
2211 2 92 ASP H 2 95 LYS H 3.900 . 6.000 4.553 4.458 4.623 . 0 0 "[ . 1 . 2]" 1
2212 2 94 VAL HA 2 95 LYS H 3.400 . 5.000 3.484 3.456 3.535 . 0 0 "[ . 1 . 2]" 1
2213 2 94 VAL HB 2 95 LYS H 3.400 . 5.000 2.611 2.476 2.698 . 0 0 "[ . 1 . 2]" 1
2214 2 94 VAL MG1 2 95 LYS H 3.400 . 6.500 3.490 3.305 3.679 . 0 0 "[ . 1 . 2]" 1
2215 2 94 VAL MG2 2 95 LYS H 3.400 . 6.500 3.759 3.659 3.861 . 0 0 "[ . 1 . 2]" 1
2216 2 95 LYS H 2 96 ASP HB3 3.900 . 6.000 6.111 6.068 6.157 0.157 9 0 "[ . 1 . 2]" 1
2217 2 95 LYS H 2 97 LEU H 3.900 . 6.000 3.996 3.922 4.118 . 0 0 "[ . 1 . 2]" 1
2218 2 95 LYS H 2 98 LEU MD1 3.400 . 6.500 4.600 4.352 5.000 . 0 0 "[ . 1 . 2]" 1
2219 2 55 GLN QE 2 96 ASP H 3.900 . 7.000 4.797 4.638 5.085 . 0 0 "[ . 1 . 2]" 1
2220 2 93 ALA HA 2 96 ASP H 3.400 . 5.000 3.866 3.613 4.031 . 0 0 "[ . 1 . 2]" 1
2221 2 94 VAL MG1 2 96 ASP H 3.900 . 7.500 5.260 5.114 5.401 . 0 0 "[ . 1 . 2]" 1
2222 2 94 VAL H 2 96 ASP H 3.400 . 5.000 4.303 4.046 4.518 . 0 0 "[ . 1 . 2]" 1
2223 2 95 LYS HA 2 96 ASP H 3.400 . 5.000 3.556 3.541 3.576 . 0 0 "[ . 1 . 2]" 1
2224 2 95 LYS HB3 2 96 ASP H 3.400 . 5.000 2.476 2.152 2.664 . 0 0 "[ . 1 . 2]" 1
2225 2 95 LYS HB2 2 96 ASP H 3.400 . 5.000 3.825 3.590 3.953 . 0 0 "[ . 1 . 2]" 1
2226 2 95 LYS QG 2 96 ASP H 3.400 . 6.000 3.009 2.456 3.820 . 0 0 "[ . 1 . 2]" 1
2227 2 96 ASP H 2 97 LEU H 2.900 . 3.500 2.632 2.562 2.713 . 0 0 "[ . 1 . 2]" 1
2228 2 96 ASP H 2 98 LEU HB2 3.400 . 5.000 4.938 4.798 5.047 0.047 4 0 "[ . 1 . 2]" 1
2229 2 96 ASP H 2 98 LEU H 3.900 . 6.000 3.954 3.825 4.046 . 0 0 "[ . 1 . 2]" 1
2230 2 96 ASP H 2 99 GLN H 3.900 . 6.000 4.988 4.864 5.176 . 0 0 "[ . 1 . 2]" 1
2231 2 28 LEU MD1 2 97 LEU H 3.400 . 6.500 4.127 3.877 4.294 . 0 0 "[ . 1 . 2]" 1
2232 2 94 VAL HA 2 97 LEU H 3.400 . 5.000 3.697 3.626 3.800 . 0 0 "[ . 1 . 2]" 1
2233 2 94 VAL H 2 97 LEU H 3.400 . 5.000 4.704 4.540 4.831 . 0 0 "[ . 1 . 2]" 1
2234 2 95 LYS HA 2 97 LEU H 3.900 . 6.000 4.511 4.417 4.614 . 0 0 "[ . 1 . 2]" 1
2235 2 96 ASP HA 2 97 LEU H 3.400 . 5.000 3.503 3.487 3.515 . 0 0 "[ . 1 . 2]" 1
2236 2 96 ASP HB3 2 97 LEU H 3.400 . 5.000 3.386 3.281 3.501 . 0 0 "[ . 1 . 2]" 1
2237 2 96 ASP HB2 2 97 LEU H 3.400 . 5.000 2.953 2.879 3.036 . 0 0 "[ . 1 . 2]" 1
2238 2 97 LEU H 2 98 LEU HA 3.900 . 6.000 5.063 5.030 5.101 . 0 0 "[ . 1 . 2]" 1
2239 2 97 LEU H 2 98 LEU HB2 3.400 . 5.000 4.406 4.353 4.460 . 0 0 "[ . 1 . 2]" 1
2240 2 97 LEU H 2 98 LEU H 2.900 . 3.500 2.449 2.410 2.494 . 0 0 "[ . 1 . 2]" 1
2241 2 97 LEU H 2 99 GLN QE 3.900 . 7.000 6.443 6.409 6.479 . 0 0 "[ . 1 . 2]" 1
2242 2 97 LEU H 2 99 GLN H 3.400 . 5.000 4.489 4.378 4.590 . 0 0 "[ . 1 . 2]" 1
2243 2 97 LEU H 2 100 GLN H 3.900 . 6.000 4.660 4.591 4.742 . 0 0 "[ . 1 . 2]" 1
2244 2 94 VAL HA 2 98 LEU H 3.900 . 6.000 4.015 3.908 4.142 . 0 0 "[ . 1 . 2]" 1
2245 2 95 LYS HA 2 98 LEU H 3.900 . 6.000 3.642 3.544 3.713 . 0 0 "[ . 1 . 2]" 1
2246 2 96 ASP HA 2 98 LEU H 3.900 . 6.000 4.116 4.024 4.235 . 0 0 "[ . 1 . 2]" 1
2247 2 96 ASP HB2 2 98 LEU H 3.900 . 6.000 5.037 4.934 5.165 . 0 0 "[ . 1 . 2]" 1
2248 2 97 LEU HA 2 98 LEU H 3.400 . 5.000 3.487 3.460 3.517 . 0 0 "[ . 1 . 2]" 1
2249 2 97 LEU QB 2 98 LEU H 3.400 . 6.000 2.875 2.787 2.966 . 0 0 "[ . 1 . 2]" 1
2250 2 98 LEU H 2 99 GLN H 3.400 . 5.000 2.811 2.758 2.901 . 0 0 "[ . 1 . 2]" 1
2251 2 98 LEU H 2 100 GLN QG 3.900 . 7.000 5.284 5.006 5.645 . 0 0 "[ . 1 . 2]" 1
2252 2 98 LEU H 2 100 GLN H 3.900 . 6.000 3.603 3.523 3.770 . 0 0 "[ . 1 . 2]" 1
2253 2 95 LYS HA 2 99 GLN H 3.900 . 6.000 4.190 4.059 4.333 . 0 0 "[ . 1 . 2]" 1
2254 2 95 LYS QG 2 99 GLN H 3.400 . 6.000 4.392 4.272 4.510 . 0 0 "[ . 1 . 2]" 1
2255 2 96 ASP HA 2 99 GLN H 3.400 . 5.000 3.635 3.456 3.893 . 0 0 "[ . 1 . 2]" 1
2256 2 98 LEU HA 2 99 GLN H 3.400 . 5.000 3.634 3.606 3.647 . 0 0 "[ . 1 . 2]" 1
2257 2 98 LEU HB3 2 99 GLN H 3.400 . 5.000 2.968 2.821 3.037 . 0 0 "[ . 1 . 2]" 1
2258 2 98 LEU MD1 2 99 GLN H 3.400 . 6.500 4.446 4.317 4.514 . 0 0 "[ . 1 . 2]" 1
2259 2 98 LEU HG 2 99 GLN H 3.400 . 5.000 4.758 4.696 4.783 . 0 0 "[ . 1 . 2]" 1
2260 2 99 GLN H 2 100 GLN H 3.400 . 5.000 2.760 2.689 2.868 . 0 0 "[ . 1 . 2]" 1
2261 2 99 GLN H 2 103 PRO QD 3.900 . 7.000 4.924 4.772 5.067 . 0 0 "[ . 1 . 2]" 1
2262 2 97 LEU HA 2 100 GLN QE 3.400 . 6.000 5.240 3.764 5.523 . 0 0 "[ . 1 . 2]" 1
2263 2 97 LEU QD 2 100 GLN QE 3.400 . 9.900 4.945 4.535 5.298 . 0 0 "[ . 1 . 2]" 1
2264 2 55 GLN QE 2 100 GLN H 3.900 . 7.000 4.828 4.185 5.968 . 0 0 "[ . 1 . 2]" 1
2265 2 97 LEU HA 2 100 GLN H 3.400 . 5.000 3.332 3.214 3.413 . 0 0 "[ . 1 . 2]" 1
2266 2 97 LEU QD 2 100 GLN H 3.400 . 8.900 4.309 4.010 4.896 . 0 0 "[ . 1 . 2]" 1
2267 2 98 LEU HA 2 100 GLN H 3.400 . 5.000 3.732 3.615 4.073 . 0 0 "[ . 1 . 2]" 1
2268 2 100 GLN H 2 101 LEU HB2 3.400 . 5.000 4.748 4.464 5.067 0.067 19 0 "[ . 1 . 2]" 1
2269 2 100 GLN H 2 101 LEU HG 3.400 . 5.000 4.748 4.466 5.033 0.033 20 0 "[ . 1 . 2]" 1
2270 2 100 GLN H 2 102 LEU H 3.400 . 5.000 3.852 3.747 4.103 . 0 0 "[ . 1 . 2]" 1
2271 2 100 GLN H 2 103 PRO QD 3.900 . 7.000 4.044 3.775 4.434 . 0 0 "[ . 1 . 2]" 1
2272 2 49 TYR QE 2 101 LEU H 3.900 . 8.000 5.481 5.346 5.720 . 0 0 "[ . 1 . 2]" 1
2273 2 98 LEU HA 2 101 LEU H 3.400 . 5.000 3.068 2.958 3.177 . 0 0 "[ . 1 . 2]" 1
2274 2 98 LEU H 2 101 LEU H 3.900 . 6.000 4.510 4.401 4.576 . 0 0 "[ . 1 . 2]" 1
2275 2 100 GLN HA 2 101 LEU H 3.400 . 5.000 3.570 3.558 3.579 . 0 0 "[ . 1 . 2]" 1
2276 2 100 GLN HB3 2 101 LEU H 3.400 . 5.000 3.056 2.800 3.302 . 0 0 "[ . 1 . 2]" 1
2277 2 100 GLN QG 2 101 LEU H 3.400 . 6.000 4.317 4.171 4.521 . 0 0 "[ . 1 . 2]" 1
2278 2 100 GLN H 2 101 LEU H 2.900 . 3.500 2.586 2.437 2.815 . 0 0 "[ . 1 . 2]" 1
2279 2 101 LEU H 2 102 LEU H 3.400 . 5.000 2.458 2.379 2.647 . 0 0 "[ . 1 . 2]" 1
2280 2 101 LEU H 2 103 PRO QD 3.900 . 7.000 3.547 3.152 3.843 . 0 0 "[ . 1 . 2]" 1
2281 2 49 TYR HB3 2 102 LEU H 3.900 . 6.000 4.443 4.035 4.835 . 0 0 "[ . 1 . 2]" 1
2282 2 49 TYR QD 2 102 LEU H 3.900 . 8.000 4.746 4.452 5.037 . 0 0 "[ . 1 . 2]" 1
2283 2 98 LEU HA 2 102 LEU H 3.400 . 5.000 3.126 2.943 3.315 . 0 0 "[ . 1 . 2]" 1
2284 2 100 GLN HA 2 102 LEU H 3.400 . 5.000 4.794 4.609 4.999 . 0 0 "[ . 1 . 2]" 1
2285 2 101 LEU HB2 2 102 LEU H 3.400 . 5.000 2.902 2.707 3.092 . 0 0 "[ . 1 . 2]" 1
2286 2 102 LEU H 2 103 PRO QD 3.400 . 6.000 2.372 2.104 2.639 . 0 0 "[ . 1 . 2]" 1
2287 2 102 LEU H 2 105 PHE QD 3.900 . 8.000 4.945 4.513 5.466 . 0 0 "[ . 1 . 2]" 1
2288 2 101 LEU HA 2 104 LYS H 3.400 . 5.000 3.631 3.371 4.140 . 0 0 "[ . 1 . 2]" 1
2289 2 101 LEU H 2 104 LYS H 3.900 . 6.000 5.287 4.982 5.863 . 0 0 "[ . 1 . 2]" 1
2290 2 102 LEU H 2 104 LYS H 3.900 . 6.000 4.237 3.922 4.956 . 0 0 "[ . 1 . 2]" 1
2291 2 103 PRO HA 2 104 LYS H 3.400 . 5.000 3.484 3.373 3.609 . 0 0 "[ . 1 . 2]" 1
2292 2 103 PRO QB 2 104 LYS H 3.400 . 6.000 3.252 2.339 3.660 . 0 0 "[ . 1 . 2]" 1
2293 2 103 PRO QD 2 104 LYS H 3.400 . 6.000 2.747 2.450 3.287 . 0 0 "[ . 1 . 2]" 1
2294 2 103 PRO QG 2 104 LYS H 3.400 . 6.000 2.843 2.124 3.960 . 0 0 "[ . 1 . 2]" 1
2295 2 104 LYS H 2 105 PHE HA 3.900 . 6.000 5.200 5.029 5.378 . 0 0 "[ . 1 . 2]" 1
2296 2 104 LYS H 2 105 PHE QD 3.400 . 7.000 4.091 3.478 5.120 . 0 0 "[ . 1 . 2]" 1
2297 2 104 LYS H 2 105 PHE H 2.900 . 3.500 2.548 2.318 2.787 . 0 0 "[ . 1 . 2]" 1
2298 2 49 TYR HB3 2 105 PHE H 3.900 . 6.000 4.118 3.593 4.627 . 0 0 "[ . 1 . 2]" 1
2299 2 49 TYR QD 2 105 PHE H 3.900 . 8.000 4.909 4.261 5.439 . 0 0 "[ . 1 . 2]" 1
2300 2 102 LEU H 2 105 PHE H 3.900 . 6.000 5.259 4.941 5.721 . 0 0 "[ . 1 . 2]" 1
2301 2 103 PRO HA 2 105 PHE H 3.400 . 5.000 3.954 3.469 4.762 . 0 0 "[ . 1 . 2]" 1
2302 2 103 PRO QG 2 105 PHE H 3.400 . 6.000 4.979 4.567 5.395 . 0 0 "[ . 1 . 2]" 1
2303 2 104 LYS HA 2 105 PHE H 3.400 . 5.000 3.448 3.361 3.532 . 0 0 "[ . 1 . 2]" 1
2304 2 104 LYS QB 2 105 PHE H 3.400 . 6.000 3.001 2.181 3.750 . 0 0 "[ . 1 . 2]" 1
2305 2 104 LYS QG 2 105 PHE H 3.400 . 6.000 3.767 2.256 4.592 . 0 0 "[ . 1 . 2]" 1
2306 2 105 PHE H 2 106 LYS H 2.400 . 2.900 2.247 1.773 2.556 0.027 13 0 "[ . 1 . 2]" 1
2307 2 104 LYS HA 2 106 LYS H 3.400 . 5.000 4.094 3.674 4.851 . 0 0 "[ . 1 . 2]" 1
2308 2 104 LYS QG 2 106 LYS H 3.900 . 7.000 5.141 4.308 5.980 . 0 0 "[ . 1 . 2]" 1
2309 2 105 PHE HA 2 106 LYS H 3.400 . 5.000 3.234 2.977 3.510 . 0 0 "[ . 1 . 2]" 1
2310 2 105 PHE HB3 2 106 LYS H 3.400 . 5.000 4.175 3.687 4.516 . 0 0 "[ . 1 . 2]" 1
2311 2 105 PHE HB2 2 106 LYS H 3.400 . 5.000 3.527 2.682 3.949 . 0 0 "[ . 1 . 2]" 1
2312 2 105 PHE QD 2 106 LYS H 3.400 . 7.000 4.556 3.946 4.859 . 0 0 "[ . 1 . 2]" 1
2313 2 106 LYS H 2 107 ARG H 3.400 . 5.000 4.381 4.015 4.626 . 0 0 "[ . 1 . 2]" 1
2314 2 106 LYS HA 2 107 ARG H 2.400 . 2.900 2.208 2.092 2.605 . 0 0 "[ . 1 . 2]" 1
2315 2 106 LYS QG 2 107 ARG H 3.400 . 6.000 3.416 2.075 4.611 . 0 0 "[ . 1 . 2]" 1
2316 2 107 ARG QD 2 108 LYS H 3.900 . 7.000 4.571 2.718 6.022 . 0 0 "[ . 1 . 2]" 1
2317 2 108 LYS QB 2 109 ALA H 3.900 . 7.000 2.949 1.427 4.020 0.373 20 0 "[ . 1 . 2]" 1
2318 2 108 LYS QB 2 110 ASN H 3.400 . 6.000 4.083 2.134 5.327 . 0 0 "[ . 1 . 2]" 1
2319 2 109 ALA HA 2 110 ASN H 2.400 . 2.900 2.791 2.124 3.391 0.491 7 0 "[ . 1 . 2]" 1
2320 2 109 ALA MB 2 110 ASN H 3.400 . 6.500 3.463 2.381 3.701 . 0 0 "[ . 1 . 2]" 1
2321 2 11 LEU HA 2 11 LEU HB3 2.400 . 2.700 2.401 2.318 2.458 . 0 0 "[ . 1 . 2]" 1
2322 2 11 LEU HA 2 11 LEU HB2 2.900 . 3.300 3.013 2.987 3.021 . 0 0 "[ . 1 . 2]" 1
2323 2 11 LEU H 2 11 LEU HA 2.900 . 3.500 2.895 2.848 2.937 . 0 0 "[ . 1 . 2]" 1
2324 2 11 LEU H 2 11 LEU HB3 3.400 . 5.000 3.636 3.595 3.700 . 0 0 "[ . 1 . 2]" 1
2325 2 11 LEU H 2 11 LEU HB2 2.400 . 2.900 2.604 2.500 2.816 . 0 0 "[ . 1 . 2]" 1
2326 2 12 LEU HA 2 12 LEU HB3 2.900 . 3.300 3.003 2.990 3.009 . 0 0 "[ . 1 . 2]" 1
2327 2 12 LEU HA 2 12 LEU HB2 2.400 . 2.700 2.562 2.546 2.596 . 0 0 "[ . 1 . 2]" 1
2328 2 12 LEU H 2 12 LEU HA 2.900 . 3.500 2.951 2.945 2.966 . 0 0 "[ . 1 . 2]" 1
2329 2 12 LEU H 2 12 LEU HB3 2.400 . 2.900 2.905 2.848 2.944 0.044 17 0 "[ . 1 . 2]" 1
2330 2 12 LEU H 2 12 LEU HB2 2.400 . 2.900 2.979 2.907 3.017 0.117 16 0 "[ . 1 . 2]" 1
2331 2 15 LYS HA 2 15 LYS HB3 2.400 . 2.700 2.579 2.322 2.673 . 0 0 "[ . 1 . 2]" 1
2332 2 15 LYS HA 2 15 LYS HB2 2.900 . 3.300 2.986 2.964 3.019 . 0 0 "[ . 1 . 2]" 1
2333 2 15 LYS H 2 15 LYS HA 2.900 . 3.500 2.945 2.908 2.957 . 0 0 "[ . 1 . 2]" 1
2334 2 15 LYS H 2 15 LYS HB3 3.400 . 5.000 3.636 3.516 3.805 . 0 0 "[ . 1 . 2]" 1
2335 2 15 LYS H 2 15 LYS HB2 2.400 . 2.900 2.482 2.242 2.869 . 0 0 "[ . 1 . 2]" 1
2336 2 16 LYS HA 2 16 LYS HB3 2.400 . 2.700 2.677 2.585 2.691 . 0 0 "[ . 1 . 2]" 1
2337 2 16 LYS HA 2 16 LYS HB2 2.900 . 3.300 2.943 2.934 2.977 . 0 0 "[ . 1 . 2]" 1
2338 2 16 LYS H 2 16 LYS HA 2.900 . 3.500 2.254 2.246 2.261 . 0 0 "[ . 1 . 2]" 1
2339 2 16 LYS H 2 16 LYS HB3 3.400 . 5.000 3.996 3.950 4.021 . 0 0 "[ . 1 . 2]" 1
2340 2 16 LYS H 2 16 LYS HB2 2.400 . 2.900 3.115 3.071 3.177 0.277 8 0 "[ . 1 . 2]" 1
2341 2 18 ARG HA 2 18 ARG HB3 2.400 . 2.700 2.560 2.306 2.682 . 0 0 "[ . 1 . 2]" 1
2342 2 18 ARG HA 2 18 ARG HB2 2.900 . 3.300 2.998 2.967 3.023 . 0 0 "[ . 1 . 2]" 1
2343 2 18 ARG H 2 18 ARG HA 2.900 . 3.500 2.929 2.906 2.947 . 0 0 "[ . 1 . 2]" 1
2344 2 18 ARG H 2 18 ARG HB3 3.400 . 5.000 3.603 3.502 3.740 . 0 0 "[ . 1 . 2]" 1
2345 2 18 ARG H 2 18 ARG HB2 2.400 . 2.900 2.399 2.223 2.863 . 0 0 "[ . 1 . 2]" 1
2346 2 20 LYS HA 2 20 LYS HB3 2.400 . 2.700 2.671 2.600 2.689 . 0 0 "[ . 1 . 2]" 1
2347 2 20 LYS HA 2 20 LYS HB2 2.900 . 3.300 2.943 2.930 2.973 . 0 0 "[ . 1 . 2]" 1
2348 2 20 LYS H 2 20 LYS HA 2.900 . 3.500 2.261 2.249 2.278 . 0 0 "[ . 1 . 2]" 1
2349 2 20 LYS H 2 20 LYS HB3 3.400 . 5.000 3.989 3.954 4.016 . 0 0 "[ . 1 . 2]" 1
2350 2 20 LYS H 2 20 LYS HB2 2.400 . 2.900 3.105 3.040 3.169 0.269 2 0 "[ . 1 . 2]" 1
2351 2 21 LYS HA 2 21 LYS HB3 2.400 . 2.700 2.680 2.595 2.696 . 0 0 "[ . 1 . 2]" 1
2352 2 21 LYS HA 2 21 LYS HB2 2.900 . 3.300 2.924 2.909 2.961 . 0 0 "[ . 1 . 2]" 1
2353 2 21 LYS H 2 21 LYS HA 2.900 . 3.500 2.241 2.224 2.260 . 0 0 "[ . 1 . 2]" 1
2354 2 21 LYS H 2 21 LYS HB3 3.400 . 5.000 4.072 4.038 4.103 . 0 0 "[ . 1 . 2]" 1
2355 2 21 LYS H 2 21 LYS HB2 2.400 . 2.900 3.233 3.172 3.304 0.404 19 0 "[ . 1 . 2]" 1
2356 2 26 LEU HA 2 26 LEU HB3 2.900 . 3.300 3.013 3.008 3.019 . 0 0 "[ . 1 . 2]" 1
2357 2 26 LEU HA 2 26 LEU HB2 2.400 . 2.700 2.507 2.473 2.537 . 0 0 "[ . 1 . 2]" 1
2358 2 26 LEU H 2 26 LEU HA 2.900 . 3.500 2.942 2.937 2.948 . 0 0 "[ . 1 . 2]" 1
2359 2 26 LEU H 2 26 LEU HB3 2.400 . 2.900 2.617 2.553 2.660 . 0 0 "[ . 1 . 2]" 1
2360 2 26 LEU H 2 26 LEU HB2 2.400 . 2.900 2.809 2.718 2.919 0.019 8 0 "[ . 1 . 2]" 1
2361 2 27 TYR HA 2 27 TYR HB3 2.400 . 2.700 2.446 2.382 2.559 . 0 0 "[ . 1 . 2]" 1
2362 2 27 TYR HA 2 27 TYR HB2 2.900 . 3.300 3.024 3.016 3.027 . 0 0 "[ . 1 . 2]" 1
2363 2 27 TYR H 2 27 TYR HA 2.900 . 3.500 2.946 2.939 2.950 . 0 0 "[ . 1 . 2]" 1
2364 2 27 TYR H 2 27 TYR HB3 3.400 . 5.000 3.789 3.692 3.844 . 0 0 "[ . 1 . 2]" 1
2365 2 27 TYR H 2 27 TYR HB2 2.400 . 2.900 2.685 2.499 2.757 . 0 0 "[ . 1 . 2]" 1
2366 2 28 LEU H 2 28 LEU HA 2.900 . 3.500 2.903 2.884 2.940 . 0 0 "[ . 1 . 2]" 1
2367 2 29 MET HA 2 29 MET HB3 2.400 . 2.700 2.269 2.241 2.410 . 0 0 "[ . 1 . 2]" 1
2368 2 29 MET HA 2 29 MET HB2 2.900 . 3.300 2.971 2.962 3.014 . 0 0 "[ . 1 . 2]" 1
2369 2 29 MET H 2 29 MET HA 2.900 . 3.500 2.943 2.938 2.948 . 0 0 "[ . 1 . 2]" 1
2370 2 29 MET H 2 29 MET HB3 3.400 . 5.000 3.726 3.670 3.787 . 0 0 "[ . 1 . 2]" 1
2371 2 29 MET H 2 29 MET HB2 2.400 . 2.900 2.904 2.602 2.954 0.054 13 0 "[ . 1 . 2]" 1
2372 2 31 GLU HA 2 31 GLU HB3 2.400 . 2.700 2.369 2.293 2.667 . 0 0 "[ . 1 . 2]" 1
2373 2 31 GLU HA 2 31 GLU HB2 2.900 . 3.300 2.991 2.967 3.021 . 0 0 "[ . 1 . 2]" 1
2374 2 31 GLU H 2 31 GLU HA 2.900 . 3.500 2.950 2.944 2.960 . 0 0 "[ . 1 . 2]" 1
2375 2 31 GLU H 2 31 GLU HB3 3.400 . 5.000 3.767 3.591 3.863 . 0 0 "[ . 1 . 2]" 1
2376 2 31 GLU H 2 31 GLU HB2 2.400 . 2.900 2.815 2.456 2.963 0.063 14 0 "[ . 1 . 2]" 1
2377 2 32 ARG HA 2 32 ARG HB3 2.400 . 2.700 2.523 2.434 2.635 . 0 0 "[ . 1 . 2]" 1
2378 2 32 ARG HA 2 32 ARG HB2 2.400 . 2.700 2.375 2.295 2.450 . 0 0 "[ . 1 . 2]" 1
2379 2 32 ARG H 2 32 ARG HA 2.900 . 3.500 2.879 2.862 2.896 . 0 0 "[ . 1 . 2]" 1
2380 2 32 ARG H 2 32 ARG HB3 2.900 . 3.500 3.343 3.191 3.477 . 0 0 "[ . 1 . 2]" 1
2381 2 32 ARG H 2 32 ARG HB2 3.400 . 5.000 4.037 4.007 4.068 . 0 0 "[ . 1 . 2]" 1
2382 2 35 TRP HA 2 35 TRP HB3 2.900 . 3.300 3.028 3.027 3.031 . 0 0 "[ . 1 . 2]" 1
2383 2 35 TRP HA 2 35 TRP HB2 2.400 . 2.700 2.436 2.422 2.449 . 0 0 "[ . 1 . 2]" 1
2384 2 35 TRP H 2 35 TRP HA 2.900 . 3.500 2.939 2.932 2.945 . 0 0 "[ . 1 . 2]" 1
2385 2 35 TRP H 2 35 TRP HB3 2.400 . 2.900 2.642 2.551 2.691 . 0 0 "[ . 1 . 2]" 1
2386 2 35 TRP H 2 35 TRP HB2 2.900 . 3.500 3.207 3.101 3.278 . 0 0 "[ . 1 . 2]" 1
2387 2 43 PHE HA 2 43 PHE HB3 2.400 . 2.700 2.383 2.306 2.516 . 0 0 "[ . 1 . 2]" 1
2388 2 43 PHE HA 2 43 PHE HB2 2.900 . 3.300 3.012 2.985 3.030 . 0 0 "[ . 1 . 2]" 1
2389 2 43 PHE H 2 43 PHE HA 2.900 . 3.500 2.882 2.858 2.926 . 0 0 "[ . 1 . 2]" 1
2390 2 43 PHE H 2 43 PHE HB3 3.400 . 5.000 3.608 3.558 3.654 . 0 0 "[ . 1 . 2]" 1
2391 2 43 PHE H 2 43 PHE HB2 2.400 . 2.900 2.668 2.425 2.833 . 0 0 "[ . 1 . 2]" 1
2392 2 47 HIS HA 2 47 HIS HB3 2.400 . 2.700 2.546 2.519 2.596 . 0 0 "[ . 1 . 2]" 1
2393 2 47 HIS HA 2 47 HIS HB2 2.900 . 3.300 3.017 3.005 3.024 . 0 0 "[ . 1 . 2]" 1
2394 2 47 HIS H 2 47 HIS HA 2.900 . 3.500 2.950 2.944 2.957 . 0 0 "[ . 1 . 2]" 1
2395 2 47 HIS H 2 47 HIS HB3 3.400 . 5.000 3.736 3.670 3.782 . 0 0 "[ . 1 . 2]" 1
2396 2 47 HIS H 2 47 HIS HB2 2.400 . 2.900 2.581 2.482 2.650 . 0 0 "[ . 1 . 2]" 1
2397 2 48 MET HA 2 48 MET HB3 2.400 . 2.700 2.489 2.376 2.673 . 0 0 "[ . 1 . 2]" 1
2398 2 48 MET HA 2 48 MET HB2 2.900 . 3.300 3.023 2.986 3.034 . 0 0 "[ . 1 . 2]" 1
2399 2 48 MET H 2 48 MET HA 2.900 . 3.500 2.903 2.872 2.917 . 0 0 "[ . 1 . 2]" 1
2400 2 48 MET H 2 48 MET HB3 3.400 . 5.000 3.617 3.502 3.656 . 0 0 "[ . 1 . 2]" 1
2401 2 48 MET H 2 48 MET HB2 2.400 . 2.900 2.491 2.243 2.717 . 0 0 "[ . 1 . 2]" 1
2402 2 49 TYR HA 2 49 TYR HB3 2.400 . 2.700 2.464 2.399 2.518 . 0 0 "[ . 1 . 2]" 1
2403 2 49 TYR HA 2 49 TYR HB2 2.900 . 3.300 3.026 3.022 3.028 . 0 0 "[ . 1 . 2]" 1
2404 2 49 TYR H 2 49 TYR HA 2.900 . 3.500 2.810 2.772 2.835 . 0 0 "[ . 1 . 2]" 1
2405 2 49 TYR H 2 49 TYR HB3 3.400 . 5.000 3.618 3.587 3.649 . 0 0 "[ . 1 . 2]" 1
2406 2 49 TYR H 2 49 TYR HB2 2.400 . 2.900 2.568 2.465 2.715 . 0 0 "[ . 1 . 2]" 1
2407 2 51 ASP HA 2 51 ASP HB3 2.400 . 2.700 2.346 2.305 2.677 . 0 0 "[ . 1 . 2]" 1
2408 2 51 ASP HA 2 51 ASP HB2 2.900 . 3.300 2.987 2.972 3.025 . 0 0 "[ . 1 . 2]" 1
2409 2 51 ASP H 2 51 ASP HA 2.900 . 3.500 2.941 2.927 2.949 . 0 0 "[ . 1 . 2]" 1
2410 2 51 ASP H 2 51 ASP HB3 3.400 . 5.000 3.720 3.558 3.775 . 0 0 "[ . 1 . 2]" 1
2411 2 51 ASP H 2 51 ASP HB2 2.400 . 2.900 2.858 2.378 2.938 0.038 4 0 "[ . 1 . 2]" 1
2412 2 53 LYS HA 2 53 LYS HB3 2.900 . 3.300 3.023 2.978 3.030 . 0 0 "[ . 1 . 2]" 1
2413 2 53 LYS HA 2 53 LYS HB2 2.400 . 2.700 2.453 2.299 2.522 . 0 0 "[ . 1 . 2]" 1
2414 2 53 LYS H 2 53 LYS HA 2.900 . 3.500 2.891 2.858 2.933 . 0 0 "[ . 1 . 2]" 1
2415 2 53 LYS H 2 53 LYS HB3 2.400 . 2.900 2.448 2.143 2.576 . 0 0 "[ . 1 . 2]" 1
2416 2 53 LYS H 2 53 LYS HB2 2.400 . 2.900 2.695 2.498 2.969 0.069 9 0 "[ . 1 . 2]" 1
2417 2 54 CYS H 2 54 CYS HA 2.900 . 3.500 2.877 2.842 2.906 . 0 0 "[ . 1 . 2]" 1
2418 2 55 GLN HA 2 55 GLN HB3 2.400 . 2.700 2.360 2.328 2.389 . 0 0 "[ . 1 . 2]" 1
2419 2 55 GLN HA 2 55 GLN HB2 2.400 . 2.700 2.589 2.546 2.641 . 0 0 "[ . 1 . 2]" 1
2420 2 55 GLN H 2 55 GLN HA 2.900 . 3.500 2.933 2.924 2.938 . 0 0 "[ . 1 . 2]" 1
2421 2 55 GLN H 2 55 GLN HB3 2.900 . 3.500 3.335 3.264 3.431 . 0 0 "[ . 1 . 2]" 1
2422 2 55 GLN H 2 55 GLN HB2 3.400 . 5.000 3.684 3.638 3.752 . 0 0 "[ . 1 . 2]" 1
2423 2 56 LYS HA 2 56 LYS HB3 2.400 . 2.700 2.371 2.316 2.394 . 0 0 "[ . 1 . 2]" 1
2424 2 56 LYS HA 2 56 LYS HB2 2.900 . 3.300 3.029 2.992 3.041 . 0 0 "[ . 1 . 2]" 1
2425 2 56 LYS H 2 56 LYS HA 2.900 . 3.500 2.941 2.933 2.946 . 0 0 "[ . 1 . 2]" 1
2426 2 56 LYS H 2 56 LYS HB3 3.400 . 5.000 3.930 3.915 3.944 . 0 0 "[ . 1 . 2]" 1
2427 2 56 LYS H 2 56 LYS HB2 2.400 . 2.900 2.990 2.953 3.065 0.165 16 0 "[ . 1 . 2]" 1
2428 2 62 LYS HA 2 62 LYS HB3 2.400 . 2.700 2.673 2.627 2.686 . 0 0 "[ . 1 . 2]" 1
2429 2 62 LYS HA 2 62 LYS HB2 2.900 . 3.300 2.994 2.983 3.015 . 0 0 "[ . 1 . 2]" 1
2430 2 62 LYS H 2 62 LYS HA 2.900 . 3.500 2.851 2.836 2.869 . 0 0 "[ . 1 . 2]" 1
2431 2 62 LYS H 2 62 LYS HB3 3.400 . 5.000 3.519 3.503 3.565 . 0 0 "[ . 1 . 2]" 1
2432 2 62 LYS H 2 62 LYS HB2 2.400 . 2.900 2.233 2.212 2.296 . 0 0 "[ . 1 . 2]" 1
2433 2 66 GLN HA 2 66 GLN HB3 2.400 . 2.700 2.403 2.347 2.460 . 0 0 "[ . 1 . 2]" 1
2434 2 66 GLN HA 2 66 GLN HB2 2.900 . 3.300 3.013 2.997 3.023 . 0 0 "[ . 1 . 2]" 1
2435 2 66 GLN H 2 66 GLN HA 2.900 . 3.500 2.962 2.949 2.970 . 0 0 "[ . 1 . 2]" 1
2436 2 66 GLN H 2 66 GLN HB3 3.400 . 5.000 3.906 3.841 3.941 . 0 0 "[ . 1 . 2]" 1
2437 2 66 GLN H 2 66 GLN HB2 2.400 . 2.900 2.870 2.736 2.955 0.055 12 0 "[ . 1 . 2]" 1
2438 2 67 LEU HA 2 67 LEU HB3 2.900 . 3.300 3.021 3.019 3.023 . 0 0 "[ . 1 . 2]" 1
2439 2 67 LEU HA 2 67 LEU HB2 2.400 . 2.700 2.521 2.501 2.540 . 0 0 "[ . 1 . 2]" 1
2440 2 67 LEU H 2 67 LEU HA 2.900 . 3.500 2.950 2.946 2.953 . 0 0 "[ . 1 . 2]" 1
2441 2 67 LEU H 2 67 LEU HB3 2.400 . 2.900 2.681 2.648 2.726 . 0 0 "[ . 1 . 2]" 1
2442 2 67 LEU H 2 67 LEU HB2 2.400 . 2.900 2.940 2.909 2.981 0.081 19 0 "[ . 1 . 2]" 1
2443 2 68 GLN HA 2 68 GLN HB3 2.900 . 3.300 3.021 3.018 3.024 . 0 0 "[ . 1 . 2]" 1
2444 2 68 GLN HA 2 68 GLN HB2 2.400 . 2.700 2.488 2.462 2.515 . 0 0 "[ . 1 . 2]" 1
2445 2 68 GLN H 2 68 GLN HA 2.900 . 3.500 2.944 2.941 2.947 . 0 0 "[ . 1 . 2]" 1
2446 2 68 GLN H 2 68 GLN HB3 2.400 . 2.900 2.662 2.593 2.721 . 0 0 "[ . 1 . 2]" 1
2447 2 68 GLN H 2 68 GLN HB2 2.400 . 2.900 3.013 2.971 3.068 0.168 1 0 "[ . 1 . 2]" 1
2448 2 69 LEU HA 2 69 LEU HB3 2.400 . 2.700 2.549 2.530 2.563 . 0 0 "[ . 1 . 2]" 1
2449 2 69 LEU HA 2 69 LEU HB2 2.900 . 3.300 3.008 3.004 3.013 . 0 0 "[ . 1 . 2]" 1
2450 2 69 LEU H 2 69 LEU HA 2.900 . 3.500 2.925 2.921 2.934 . 0 0 "[ . 1 . 2]" 1
2451 2 69 LEU H 2 69 LEU HB3 3.400 . 5.000 3.602 3.587 3.623 . 0 0 "[ . 1 . 2]" 1
2452 2 69 LEU H 2 69 LEU HB2 2.400 . 2.900 2.360 2.333 2.394 . 0 0 "[ . 1 . 2]" 1
2453 2 71 LEU HA 2 71 LEU HB3 2.400 . 2.700 2.435 2.425 2.443 . 0 0 "[ . 1 . 2]" 1
2454 2 71 LEU HA 2 71 LEU HB2 2.900 . 3.300 3.006 3.004 3.008 . 0 0 "[ . 1 . 2]" 1
2455 2 71 LEU H 2 71 LEU HA 2.900 . 3.500 2.849 2.826 2.872 . 0 0 "[ . 1 . 2]" 1
2456 2 71 LEU H 2 71 LEU HB3 3.400 . 5.000 3.607 3.589 3.629 . 0 0 "[ . 1 . 2]" 1
2457 2 71 LEU H 2 71 LEU HB2 2.400 . 2.900 2.510 2.495 2.529 . 0 0 "[ . 1 . 2]" 1
2458 2 72 HIS HA 2 72 HIS HB3 2.400 . 2.700 2.533 2.482 2.555 . 0 0 "[ . 1 . 2]" 1
2459 2 72 HIS HA 2 72 HIS HB2 2.900 . 3.300 3.005 2.999 3.014 . 0 0 "[ . 1 . 2]" 1
2460 2 72 HIS H 2 72 HIS HA 2.900 . 3.500 2.805 2.773 2.847 . 0 0 "[ . 1 . 2]" 1
2461 2 72 HIS H 2 72 HIS HB3 3.400 . 5.000 3.583 3.573 3.604 . 0 0 "[ . 1 . 2]" 1
2462 2 72 HIS H 2 72 HIS HB2 2.400 . 2.900 2.391 2.356 2.474 . 0 0 "[ . 1 . 2]" 1
2463 2 75 ASP HA 2 75 ASP HB3 2.400 . 2.700 2.342 2.333 2.352 . 0 0 "[ . 1 . 2]" 1
2464 2 75 ASP HA 2 75 ASP HB2 2.900 . 3.300 3.000 2.994 3.006 . 0 0 "[ . 1 . 2]" 1
2465 2 75 ASP H 2 75 ASP HA 2.900 . 3.500 2.872 2.852 2.895 . 0 0 "[ . 1 . 2]" 1
2466 2 75 ASP H 2 75 ASP HB3 3.400 . 5.000 3.558 3.517 3.599 . 0 0 "[ . 1 . 2]" 1
2467 2 75 ASP H 2 75 ASP HB2 2.400 . 2.900 2.765 2.723 2.812 . 0 0 "[ . 1 . 2]" 1
2468 2 78 ASN HA 2 78 ASN HB3 2.400 . 2.700 2.671 2.595 2.678 . 0 0 "[ . 1 . 2]" 1
2469 2 78 ASN HA 2 78 ASN HB2 2.900 . 3.300 2.968 2.958 3.002 . 0 0 "[ . 1 . 2]" 1
2470 2 78 ASN H 2 78 ASN HA 2.900 . 3.500 2.915 2.888 2.936 . 0 0 "[ . 1 . 2]" 1
2471 2 78 ASN H 2 78 ASN HB3 3.400 . 5.000 3.509 3.489 3.575 . 0 0 "[ . 1 . 2]" 1
2472 2 78 ASN H 2 78 ASN HB2 2.400 . 2.900 2.255 2.205 2.313 . 0 0 "[ . 1 . 2]" 1
2473 2 79 PHE HA 2 79 PHE HB3 2.400 . 2.700 2.508 2.476 2.536 . 0 0 "[ . 1 . 2]" 1
2474 2 79 PHE HA 2 79 PHE HB2 2.900 . 3.300 3.026 3.020 3.030 . 0 0 "[ . 1 . 2]" 1
2475 2 79 PHE H 2 79 PHE HA 2.900 . 3.500 2.945 2.938 2.951 . 0 0 "[ . 1 . 2]" 1
2476 2 79 PHE H 2 79 PHE HB3 3.400 . 5.000 3.759 3.663 3.793 . 0 0 "[ . 1 . 2]" 1
2477 2 79 PHE H 2 79 PHE HB2 2.400 . 2.900 2.609 2.443 2.664 . 0 0 "[ . 1 . 2]" 1
2478 2 80 HIS HA 2 80 HIS HB3 2.900 . 3.300 3.020 2.986 3.029 . 0 0 "[ . 1 . 2]" 1
2479 2 80 HIS HA 2 80 HIS HB2 2.400 . 2.700 2.390 2.312 2.427 . 0 0 "[ . 1 . 2]" 1
2480 2 80 HIS H 2 80 HIS HA 2.900 . 3.500 2.907 2.894 2.916 . 0 0 "[ . 1 . 2]" 1
2481 2 80 HIS H 2 80 HIS HB3 2.400 . 2.900 2.315 2.153 2.393 . 0 0 "[ . 1 . 2]" 1
2482 2 80 HIS H 2 80 HIS HB2 2.400 . 2.900 2.855 2.746 2.988 0.088 20 0 "[ . 1 . 2]" 1
2483 2 81 PHE HA 2 81 PHE HB3 2.400 . 2.700 2.499 2.480 2.530 . 0 0 "[ . 1 . 2]" 1
2484 2 81 PHE HA 2 81 PHE HB2 2.900 . 3.300 3.031 3.025 3.033 . 0 0 "[ . 1 . 2]" 1
2485 2 81 PHE H 2 81 PHE HA 2.900 . 3.500 2.892 2.874 2.903 . 0 0 "[ . 1 . 2]" 1
2486 2 81 PHE H 2 81 PHE HB3 3.400 . 5.000 3.610 3.593 3.616 . 0 0 "[ . 1 . 2]" 1
2487 2 81 PHE H 2 81 PHE HB2 2.400 . 2.900 2.429 2.373 2.465 . 0 0 "[ . 1 . 2]" 1
2488 2 83 ASN HA 2 83 ASN HB3 2.900 . 3.300 3.015 2.990 3.031 . 0 0 "[ . 1 . 2]" 1
2489 2 83 ASN HA 2 83 ASN HB2 2.400 . 2.700 2.555 2.427 2.665 . 0 0 "[ . 1 . 2]" 1
2490 2 83 ASN H 2 83 ASN HA 2.900 . 3.500 2.901 2.852 2.938 . 0 0 "[ . 1 . 2]" 1
2491 2 83 ASN H 2 83 ASN HB3 2.400 . 2.900 2.681 2.407 2.870 . 0 0 "[ . 1 . 2]" 1
2492 2 83 ASN H 2 83 ASN HB2 2.400 . 2.900 2.599 2.341 2.851 . 0 0 "[ . 1 . 2]" 1
2493 2 90 GLU HA 2 90 GLU HB3 2.400 . 2.700 2.510 2.343 2.585 . 0 0 "[ . 1 . 2]" 1
2494 2 90 GLU HA 2 90 GLU HB2 2.900 . 3.300 3.024 3.008 3.033 . 0 0 "[ . 1 . 2]" 1
2495 2 90 GLU H 2 90 GLU HA 2.900 . 3.500 2.840 2.814 2.854 . 0 0 "[ . 1 . 2]" 1
2496 2 90 GLU H 2 90 GLU HB3 3.400 . 5.000 3.606 3.582 3.649 . 0 0 "[ . 1 . 2]" 1
2497 2 90 GLU H 2 90 GLU HB2 2.400 . 2.900 2.466 2.360 2.850 . 0 0 "[ . 1 . 2]" 1
2498 2 91 ARG HA 2 91 ARG HB3 2.900 . 3.300 3.028 3.008 3.034 . 0 0 "[ . 1 . 2]" 1
2499 2 91 ARG HA 2 91 ARG HB2 2.400 . 2.700 2.468 2.378 2.602 . 0 0 "[ . 1 . 2]" 1
2500 2 91 ARG H 2 91 ARG HA 2.900 . 3.500 2.810 2.783 2.837 . 0 0 "[ . 1 . 2]" 1
2501 2 91 ARG H 2 91 ARG HB3 2.400 . 2.900 2.538 2.314 2.802 . 0 0 "[ . 1 . 2]" 1
2502 2 91 ARG H 2 91 ARG HB2 2.400 . 2.900 2.547 2.280 2.758 . 0 0 "[ . 1 . 2]" 1
2503 2 92 ASP HA 2 92 ASP HB3 2.400 . 2.700 2.639 2.543 2.687 . 0 0 "[ . 1 . 2]" 1
2504 2 92 ASP HA 2 92 ASP HB2 2.900 . 3.300 2.989 2.964 3.014 . 0 0 "[ . 1 . 2]" 1
2505 2 92 ASP H 2 92 ASP HA 2.900 . 3.500 2.822 2.788 2.850 . 0 0 "[ . 1 . 2]" 1
2506 2 92 ASP H 2 92 ASP HB3 3.400 . 5.000 3.525 3.484 3.567 . 0 0 "[ . 1 . 2]" 1
2507 2 92 ASP H 2 92 ASP HB2 2.400 . 2.900 2.242 2.171 2.350 . 0 0 "[ . 1 . 2]" 1
2508 2 95 LYS HA 2 95 LYS HB3 2.900 . 3.300 2.983 2.954 3.026 . 0 0 "[ . 1 . 2]" 1
2509 2 95 LYS HA 2 95 LYS HB2 2.400 . 2.700 2.344 2.274 2.489 . 0 0 "[ . 1 . 2]" 1
2510 2 95 LYS H 2 95 LYS HA 2.900 . 3.500 2.801 2.787 2.821 . 0 0 "[ . 1 . 2]" 1
2511 2 95 LYS H 2 95 LYS HB3 2.400 . 2.900 2.212 2.029 2.541 . 0 0 "[ . 1 . 2]" 1
2512 2 95 LYS H 2 95 LYS HB2 2.400 . 2.900 2.714 2.416 2.884 . 0 0 "[ . 1 . 2]" 1
2513 2 96 ASP HA 2 96 ASP HB3 2.400 . 2.700 2.673 2.628 2.681 . 0 0 "[ . 1 . 2]" 1
2514 2 96 ASP HA 2 96 ASP HB2 2.900 . 3.300 2.965 2.956 2.987 . 0 0 "[ . 1 . 2]" 1
2515 2 96 ASP H 2 96 ASP HA 2.900 . 3.500 2.823 2.802 2.841 . 0 0 "[ . 1 . 2]" 1
2516 2 96 ASP H 2 96 ASP HB3 3.400 . 5.000 3.474 3.460 3.496 . 0 0 "[ . 1 . 2]" 1
2517 2 96 ASP H 2 96 ASP HB2 2.400 . 2.900 2.163 2.145 2.200 . 0 0 "[ . 1 . 2]" 1
2518 2 98 LEU HA 2 98 LEU HB3 2.400 . 2.700 2.662 2.657 2.668 . 0 0 "[ . 1 . 2]" 1
2519 2 98 LEU HA 2 98 LEU HB2 2.900 . 3.300 2.960 2.953 2.970 . 0 0 "[ . 1 . 2]" 1
2520 2 98 LEU H 2 98 LEU HA 2.900 . 3.500 2.838 2.818 2.852 . 0 0 "[ . 1 . 2]" 1
2521 2 98 LEU H 2 98 LEU HB3 3.400 . 5.000 3.499 3.490 3.511 . 0 0 "[ . 1 . 2]" 1
2522 2 98 LEU H 2 98 LEU HB2 2.400 . 2.900 2.205 2.195 2.218 . 0 0 "[ . 1 . 2]" 1
2523 2 99 GLN HA 2 99 GLN HB3 2.400 . 2.700 2.280 2.266 2.293 . 0 0 "[ . 1 . 2]" 1
2524 2 99 GLN HA 2 99 GLN HB2 2.400 . 2.700 2.673 2.658 2.680 . 0 0 "[ . 1 . 2]" 1
2525 2 99 GLN H 2 99 GLN HA 2.900 . 3.500 2.757 2.722 2.777 . 0 0 "[ . 1 . 2]" 1
2526 2 99 GLN H 2 99 GLN HB3 2.900 . 3.500 2.928 2.894 2.979 . 0 0 "[ . 1 . 2]" 1
2527 2 99 GLN H 2 99 GLN HB2 3.400 . 5.000 3.535 3.513 3.573 . 0 0 "[ . 1 . 2]" 1
2528 2 100 GLN H 2 100 GLN HA 2.900 . 3.500 2.871 2.806 2.900 . 0 0 "[ . 1 . 2]" 1
2529 2 101 LEU HA 2 101 LEU HB3 2.400 . 2.700 2.509 2.435 2.620 . 0 0 "[ . 1 . 2]" 1
2530 2 101 LEU HA 2 101 LEU HB2 2.900 . 3.300 2.998 2.981 3.008 . 0 0 "[ . 1 . 2]" 1
2531 2 101 LEU H 2 101 LEU HA 2.900 . 3.500 2.891 2.835 2.902 . 0 0 "[ . 1 . 2]" 1
2532 2 101 LEU H 2 101 LEU HB3 3.400 . 5.000 3.582 3.532 3.617 . 0 0 "[ . 1 . 2]" 1
2533 2 101 LEU H 2 101 LEU HB2 2.400 . 2.900 2.369 2.244 2.482 . 0 0 "[ . 1 . 2]" 1
2534 2 102 LEU HA 2 102 LEU HB3 2.400 . 2.700 2.622 2.597 2.668 . 0 0 "[ . 1 . 2]" 1
2535 2 102 LEU HA 2 102 LEU HB2 2.900 . 3.300 2.983 2.963 2.997 . 0 0 "[ . 1 . 2]" 1
2536 2 102 LEU H 2 102 LEU HA 2.900 . 3.500 2.755 2.706 2.792 . 0 0 "[ . 1 . 2]" 1
2537 2 102 LEU H 2 102 LEU HB3 3.400 . 5.000 3.566 3.539 3.579 . 0 0 "[ . 1 . 2]" 1
2538 2 102 LEU H 2 102 LEU HB2 2.400 . 2.900 2.318 2.257 2.355 . 0 0 "[ . 1 . 2]" 1
2539 2 105 PHE HA 2 105 PHE HB3 2.400 . 2.700 2.515 2.394 2.593 . 0 0 "[ . 1 . 2]" 1
2540 2 105 PHE HA 2 105 PHE HB2 2.900 . 3.300 3.019 2.997 3.036 . 0 0 "[ . 1 . 2]" 1
2541 2 105 PHE H 2 105 PHE HA 2.900 . 3.500 2.932 2.859 2.948 . 0 0 "[ . 1 . 2]" 1
2542 2 105 PHE H 2 105 PHE HB3 3.400 . 5.000 3.678 3.577 3.815 . 0 0 "[ . 1 . 2]" 1
2543 2 105 PHE H 2 105 PHE HB2 2.400 . 2.900 2.495 2.314 2.800 . 0 0 "[ . 1 . 2]" 1
2544 2 46 SER HA 2 46 SER HB3 2.900 . 3.300 3.020 2.983 3.034 . 0 0 "[ . 1 . 2]" 1
2545 2 46 SER HA 2 46 SER HB2 2.400 . 2.700 2.516 2.403 2.655 . 0 0 "[ . 1 . 2]" 1
2546 2 46 SER H 2 46 SER HA 2.900 . 3.500 2.922 2.907 2.942 . 0 0 "[ . 1 . 2]" 1
2547 2 46 SER H 2 46 SER HB3 2.400 . 2.900 2.868 2.671 3.010 0.110 14 0 "[ . 1 . 2]" 1
2548 2 46 SER H 2 46 SER HB2 2.900 . 3.500 3.168 2.896 3.402 . 0 0 "[ . 1 . 2]" 1
2549 2 58 SER HA 2 58 SER HB3 2.400 . 2.700 2.457 2.296 2.670 . 0 0 "[ . 1 . 2]" 1
2550 2 58 SER HA 2 58 SER HB2 2.400 . 2.700 2.502 2.318 2.668 . 0 0 "[ . 1 . 2]" 1
2551 2 58 SER H 2 58 SER HA 2.900 . 3.500 2.858 2.848 2.873 . 0 0 "[ . 1 . 2]" 1
2552 2 58 SER H 2 58 SER HB3 2.900 . 3.500 2.772 2.352 3.115 . 0 0 "[ . 1 . 2]" 1
2553 2 58 SER H 2 58 SER HB2 3.400 . 5.000 3.622 3.557 3.689 . 0 0 "[ . 1 . 2]" 1
2554 2 82 SER HA 2 82 SER HB3 2.400 . 2.700 2.279 2.267 2.287 . 0 0 "[ . 1 . 2]" 1
2555 2 82 SER HA 2 82 SER HB2 2.400 . 2.700 2.678 2.673 2.681 . 0 0 "[ . 1 . 2]" 1
2556 2 82 SER H 2 82 SER HA 2.900 . 3.500 2.864 2.807 2.893 . 0 0 "[ . 1 . 2]" 1
2557 2 82 SER H 2 82 SER HB3 2.900 . 3.500 3.046 2.965 3.124 . 0 0 "[ . 1 . 2]" 1
2558 2 82 SER H 2 82 SER HB2 3.400 . 5.000 3.450 3.425 3.469 . 0 0 "[ . 1 . 2]" 1
2559 2 44 THR HA 2 44 THR HB 2.400 . 2.700 2.672 2.660 2.676 . 0 0 "[ . 1 . 2]" 1
2560 2 44 THR HA 2 44 THR MG 2.400 . 4.200 2.192 2.170 2.208 . 0 0 "[ . 1 . 2]" 1
2561 2 44 THR H 2 44 THR HA 2.900 . 3.500 2.906 2.870 2.943 . 0 0 "[ . 1 . 2]" 1
2562 2 44 THR H 2 44 THR HB 3.400 . 5.000 3.497 3.477 3.549 . 0 0 "[ . 1 . 2]" 1
2563 2 44 THR H 2 44 THR MG 2.400 . 4.200 3.034 2.916 3.219 . 0 0 "[ . 1 . 2]" 1
2564 2 76 THR HA 2 76 THR HB 2.400 . 2.700 2.580 2.474 2.639 . 0 0 "[ . 1 . 2]" 1
2565 2 76 THR HA 2 76 THR MG 2.400 . 4.200 2.268 2.192 2.379 . 0 0 "[ . 1 . 2]" 1
2566 2 76 THR H 2 76 THR HA 2.900 . 3.500 2.917 2.907 2.926 . 0 0 "[ . 1 . 2]" 1
2567 2 76 THR H 2 76 THR HB 3.400 . 5.000 3.818 3.762 3.903 . 0 0 "[ . 1 . 2]" 1
2568 2 76 THR H 2 76 THR MG 2.400 . 4.200 3.324 3.062 3.474 . 0 0 "[ . 1 . 2]" 1
2569 2 77 THR HA 2 77 THR MG 2.400 . 4.200 2.206 2.144 2.224 . 0 0 "[ . 1 . 2]" 1
2570 2 77 THR H 2 77 THR HA 2.900 . 3.500 2.944 2.935 2.948 . 0 0 "[ . 1 . 2]" 1
2571 2 77 THR H 2 77 THR MG 3.400 . 6.500 3.881 3.860 3.941 . 0 0 "[ . 1 . 2]" 1
2572 2 77 THR H 2 77 THR HB 2.400 . 2.900 2.918 2.881 2.966 0.066 11 0 "[ . 1 . 2]" 1
2573 2 86 THR HA 2 86 THR HB 2.400 . 2.700 2.676 2.650 2.682 . 0 0 "[ . 1 . 2]" 1
2574 2 86 THR HA 2 86 THR MG 2.400 . 4.200 2.183 2.155 2.212 . 0 0 "[ . 1 . 2]" 1
2575 2 86 THR H 2 86 THR HA 2.900 . 3.500 2.942 2.934 2.947 . 0 0 "[ . 1 . 2]" 1
2576 2 86 THR H 2 86 THR HB 3.400 . 5.000 3.642 3.628 3.672 . 0 0 "[ . 1 . 2]" 1
2577 2 86 THR H 2 86 THR MG 2.400 . 4.200 3.440 3.381 3.473 . 0 0 "[ . 1 . 2]" 1
2578 2 10 VAL HA 2 10 VAL MG1 2.400 . 4.200 2.314 2.264 2.354 . 0 0 "[ . 1 . 2]" 1
2579 2 10 VAL HA 2 10 VAL MG2 2.400 . 4.200 2.495 2.452 2.548 . 0 0 "[ . 1 . 2]" 1
2580 2 10 VAL HA 2 10 VAL HB 2.900 . 3.300 3.021 3.011 3.026 . 0 0 "[ . 1 . 2]" 1
2581 2 10 VAL H 2 10 VAL HA 2.900 . 3.500 2.888 2.881 2.927 . 0 0 "[ . 1 . 2]" 1
2582 2 10 VAL H 2 10 VAL HB 2.400 . 2.900 2.645 2.582 2.706 . 0 0 "[ . 1 . 2]" 1
2583 2 10 VAL H 2 10 VAL MG2 2.400 . 4.400 2.065 1.933 2.147 . 0 0 "[ . 1 . 2]" 1
2584 2 10 VAL H 2 10 VAL MG1 3.400 . 6.500 3.794 3.782 3.824 . 0 0 "[ . 1 . 2]" 1
2585 2 14 VAL HA 2 14 VAL MG1 2.400 . 4.200 2.368 2.251 2.454 . 0 0 "[ . 1 . 2]" 1
2586 2 14 VAL HA 2 14 VAL MG2 2.400 . 4.200 2.438 2.338 2.601 . 0 0 "[ . 1 . 2]" 1
2587 2 14 VAL HA 2 14 VAL HB 2.900 . 3.300 3.024 3.007 3.030 . 0 0 "[ . 1 . 2]" 1
2588 2 14 VAL H 2 14 VAL HA 2.900 . 3.500 2.953 2.941 2.963 . 0 0 "[ . 1 . 2]" 1
2589 2 14 VAL H 2 14 VAL HB 2.400 . 2.900 2.626 2.512 2.794 . 0 0 "[ . 1 . 2]" 1
2590 2 14 VAL H 2 14 VAL MG2 2.400 . 4.400 2.507 2.082 2.816 . 0 0 "[ . 1 . 2]" 1
2591 2 14 VAL H 2 14 VAL MG1 3.400 . 6.500 3.833 3.791 3.876 . 0 0 "[ . 1 . 2]" 1
2592 2 17 VAL HA 2 17 VAL MG1 2.400 . 4.200 2.418 2.339 2.466 . 0 0 "[ . 1 . 2]" 1
2593 2 17 VAL HA 2 17 VAL MG2 2.400 . 4.200 2.375 2.310 2.456 . 0 0 "[ . 1 . 2]" 1
2594 2 17 VAL HA 2 17 VAL HB 2.900 . 3.300 3.028 3.025 3.032 . 0 0 "[ . 1 . 2]" 1
2595 2 17 VAL H 2 17 VAL HA 2.900 . 3.500 2.948 2.944 2.954 . 0 0 "[ . 1 . 2]" 1
2596 2 17 VAL H 2 17 VAL HB 2.400 . 2.900 2.653 2.581 2.737 . 0 0 "[ . 1 . 2]" 1
2597 2 17 VAL H 2 17 VAL MG2 2.400 . 4.400 2.792 2.681 2.894 . 0 0 "[ . 1 . 2]" 1
2598 2 17 VAL H 2 17 VAL MG1 3.400 . 6.500 3.852 3.815 3.892 . 0 0 "[ . 1 . 2]" 1
2599 2 70 VAL HA 2 70 VAL MG1 2.400 . 4.200 2.447 2.391 2.575 . 0 0 "[ . 1 . 2]" 1
2600 2 70 VAL HA 2 70 VAL MG2 2.400 . 4.200 2.312 2.222 2.382 . 0 0 "[ . 1 . 2]" 1
2601 2 70 VAL HA 2 70 VAL HB 2.900 . 3.300 3.025 3.010 3.029 . 0 0 "[ . 1 . 2]" 1
2602 2 70 VAL H 2 70 VAL HA 2.900 . 3.500 2.923 2.914 2.931 . 0 0 "[ . 1 . 2]" 1
2603 2 70 VAL H 2 70 VAL HB 2.400 . 2.900 2.497 2.374 2.554 . 0 0 "[ . 1 . 2]" 1
2604 2 70 VAL H 2 70 VAL MG2 2.400 . 4.400 2.595 2.450 2.821 . 0 0 "[ . 1 . 2]" 1
2605 2 70 VAL H 2 70 VAL MG1 3.400 . 6.500 3.784 3.698 3.812 . 0 0 "[ . 1 . 2]" 1
2606 2 88 VAL HA 2 88 VAL MG1 2.400 . 4.200 2.471 2.433 2.545 . 0 0 "[ . 1 . 2]" 1
2607 2 88 VAL HA 2 88 VAL MG2 2.400 . 4.200 2.341 2.287 2.398 . 0 0 "[ . 1 . 2]" 1
2608 2 88 VAL HA 2 88 VAL HB 2.900 . 3.300 3.016 3.002 3.022 . 0 0 "[ . 1 . 2]" 1
2609 2 88 VAL H 2 88 VAL HA 2.900 . 3.500 2.809 2.782 2.871 . 0 0 "[ . 1 . 2]" 1
2610 2 88 VAL H 2 88 VAL HB 2.400 . 2.900 2.431 2.337 2.505 . 0 0 "[ . 1 . 2]" 1
2611 2 88 VAL H 2 88 VAL MG2 2.400 . 4.400 2.178 1.998 2.323 . 0 0 "[ . 1 . 2]" 1
2612 2 88 VAL H 2 88 VAL MG1 3.400 . 6.500 3.741 3.709 3.761 . 0 0 "[ . 1 . 2]" 1
2613 2 94 VAL HA 2 94 VAL MG1 2.400 . 4.200 2.410 2.349 2.473 . 0 0 "[ . 1 . 2]" 1
2614 2 94 VAL HA 2 94 VAL MG2 2.400 . 4.200 2.397 2.345 2.452 . 0 0 "[ . 1 . 2]" 1
2615 2 94 VAL HA 2 94 VAL HB 2.900 . 3.300 3.029 3.024 3.033 . 0 0 "[ . 1 . 2]" 1
2616 2 94 VAL H 2 94 VAL HA 2.900 . 3.500 2.859 2.831 2.884 . 0 0 "[ . 1 . 2]" 1
2617 2 94 VAL H 2 94 VAL HB 2.400 . 2.900 2.517 2.431 2.625 . 0 0 "[ . 1 . 2]" 1
2618 2 94 VAL H 2 94 VAL MG2 2.400 . 4.400 2.157 1.972 2.298 . 0 0 "[ . 1 . 2]" 1
2619 2 94 VAL H 2 94 VAL MG1 3.400 . 6.500 3.773 3.756 3.785 . 0 0 "[ . 1 . 2]" 1
2620 2 13 ILE HA 2 13 ILE MG 2.400 . 4.200 2.431 2.399 2.492 . 0 0 "[ . 1 . 2]" 1
2621 2 13 ILE HA 2 13 ILE MD 2.900 . 4.800 3.810 3.750 3.851 . 0 0 "[ . 1 . 2]" 1
2622 2 13 ILE HA 2 13 ILE QG 2.400 . 3.700 2.381 2.299 2.440 . 0 0 "[ . 1 . 2]" 1
2623 2 13 ILE HA 2 13 ILE HB 2.900 . 3.300 3.024 3.019 3.026 . 0 0 "[ . 1 . 2]" 1
2624 2 13 ILE H 2 13 ILE HB 2.400 . 2.900 2.635 2.536 2.726 . 0 0 "[ . 1 . 2]" 1
2625 2 13 ILE H 2 13 ILE QG 2.900 . 4.500 2.839 2.711 2.920 . 0 0 "[ . 1 . 2]" 1
2626 2 33 ILE HA 2 33 ILE MG 2.900 . 4.800 3.193 3.182 3.208 . 0 0 "[ . 1 . 2]" 1
2627 2 33 ILE HA 2 33 ILE MD 2.900 . 4.800 3.849 3.818 3.882 . 0 0 "[ . 1 . 2]" 1
2628 2 33 ILE HA 2 33 ILE QG 2.400 . 4.200 2.539 2.482 2.595 . 0 0 "[ . 1 . 2]" 1
2629 2 33 ILE HA 2 33 ILE HB 2.400 . 2.700 2.369 2.345 2.396 . 0 0 "[ . 1 . 2]" 1
2630 2 33 ILE H 2 33 ILE HB 2.900 . 3.500 3.312 3.242 3.375 . 0 0 "[ . 1 . 2]" 1
2631 2 33 ILE H 2 33 ILE MG 2.400 . 4.400 2.053 1.966 2.127 . 0 0 "[ . 1 . 2]" 1
2632 2 45 ILE HA 2 45 ILE MG 2.400 . 4.200 2.412 2.352 2.466 . 0 0 "[ . 1 . 2]" 1
2633 2 45 ILE HA 2 45 ILE MD 2.900 . 4.800 2.085 2.009 2.171 . 0 0 "[ . 1 . 2]" 1
2634 2 45 ILE HA 2 45 ILE QG 2.400 . 3.700 2.903 2.796 2.963 . 0 0 "[ . 1 . 2]" 1
2635 2 45 ILE HA 2 45 ILE HB 2.900 . 3.300 3.026 3.022 3.029 . 0 0 "[ . 1 . 2]" 1
2636 2 45 ILE H 2 45 ILE HB 2.400 . 2.900 2.585 2.485 2.680 . 0 0 "[ . 1 . 2]" 1
2637 2 45 ILE H 2 45 ILE QG 2.900 . 4.500 2.684 2.322 2.846 . 0 0 "[ . 1 . 2]" 1
2638 2 52 ILE HA 2 52 ILE MG 2.400 . 4.200 2.345 2.286 2.396 . 0 0 "[ . 1 . 2]" 1
2639 2 52 ILE HA 2 52 ILE MD 2.900 . 4.800 3.888 3.868 3.905 . 0 0 "[ . 1 . 2]" 1
2640 2 52 ILE HA 2 52 ILE QG 2.400 . 3.700 2.481 2.445 2.518 . 0 0 "[ . 1 . 2]" 1
2641 2 52 ILE HA 2 52 ILE HB 2.900 . 3.300 3.022 3.018 3.027 . 0 0 "[ . 1 . 2]" 1
2642 2 52 ILE H 2 52 ILE HB 2.400 . 2.900 2.583 2.508 2.620 . 0 0 "[ . 1 . 2]" 1
2643 2 52 ILE H 2 52 ILE MD 2.400 . 4.400 3.600 3.515 3.651 . 0 0 "[ . 1 . 2]" 1
2644 2 57 ILE HA 2 57 ILE MG 2.400 . 4.200 2.279 2.253 2.316 . 0 0 "[ . 1 . 2]" 1
2645 2 57 ILE HA 2 57 ILE MD 3.400 . 6.500 4.205 4.188 4.214 . 0 0 "[ . 1 . 2]" 1
2646 2 57 ILE HA 2 57 ILE QG 2.900 . 4.300 3.231 3.226 3.236 . 0 0 "[ . 1 . 2]" 1
2647 2 57 ILE HA 2 57 ILE HB 2.400 . 2.700 2.605 2.595 2.619 . 0 0 "[ . 1 . 2]" 1
2648 2 57 ILE H 2 57 ILE QG 2.400 . 3.900 1.988 1.918 2.038 . 0 0 "[ . 1 . 2]" 1
2649 2 57 ILE H 2 57 ILE MG 2.900 . 5.000 3.288 3.245 3.323 . 0 0 "[ . 1 . 2]" 1
2650 2 65 ILE HA 2 65 ILE MG 2.400 . 4.200 2.385 2.301 2.468 . 0 0 "[ . 1 . 2]" 1
2651 2 65 ILE HA 2 65 ILE MD 2.900 . 4.800 3.732 3.386 3.932 . 0 0 "[ . 1 . 2]" 1
2652 2 65 ILE HA 2 65 ILE QG 2.400 . 3.700 2.399 2.242 2.533 . 0 0 "[ . 1 . 2]" 1
2653 2 65 ILE HA 2 65 ILE HB 2.900 . 3.300 3.027 3.022 3.032 . 0 0 "[ . 1 . 2]" 1
2654 2 65 ILE H 2 65 ILE HB 2.400 . 2.900 2.519 2.426 2.637 . 0 0 "[ . 1 . 2]" 1
2655 2 65 ILE H 2 65 ILE QG 2.900 . 4.500 2.509 2.015 3.299 . 0 0 "[ . 1 . 2]" 1
2656 2 11 LEU H 2 11 LEU HG 2.400 . 2.900 2.275 2.011 2.583 . 0 0 "[ . 1 . 2]" 1
2657 2 11 LEU HA 2 11 LEU HG 2.900 . 3.300 3.275 3.168 3.326 0.026 8 0 "[ . 1 . 2]" 1
2658 2 11 LEU HA 2 11 LEU MD1 2.900 . 4.800 3.886 3.816 4.000 . 0 0 "[ . 1 . 2]" 1
2659 2 11 LEU HA 2 11 LEU MD2 2.400 . 4.200 2.154 2.027 2.420 . 0 0 "[ . 1 . 2]" 1
2660 2 12 LEU H 2 12 LEU HG 3.400 . 5.000 4.650 4.619 4.692 . 0 0 "[ . 1 . 2]" 1
2661 2 12 LEU HA 2 12 LEU HG 2.400 . 2.700 2.771 2.728 2.816 0.116 17 0 "[ . 1 . 2]" 1
2662 2 12 LEU HA 2 12 LEU MD1 2.400 . 4.200 2.095 1.930 2.163 . 0 0 "[ . 1 . 2]" 1
2663 2 12 LEU HA 2 12 LEU MD2 2.900 . 4.800 3.837 3.794 3.855 . 0 0 "[ . 1 . 2]" 1
2664 2 26 LEU H 2 26 LEU HG 3.400 . 5.000 4.482 4.441 4.517 . 0 0 "[ . 1 . 2]" 1
2665 2 26 LEU HA 2 26 LEU HG 2.400 . 2.700 2.791 2.769 2.834 0.134 8 0 "[ . 1 . 2]" 1
2666 2 26 LEU HA 2 26 LEU MD1 2.400 . 4.200 2.205 2.138 2.320 . 0 0 "[ . 1 . 2]" 1
2667 2 26 LEU HA 2 26 LEU MD2 2.900 . 4.800 3.880 3.863 3.905 . 0 0 "[ . 1 . 2]" 1
2668 2 28 LEU H 2 28 LEU HG 2.400 . 2.900 2.809 2.741 2.915 0.015 17 0 "[ . 1 . 2]" 1
2669 2 28 LEU HA 2 28 LEU HG 2.900 . 3.300 3.412 3.383 3.439 0.139 11 0 "[ . 1 . 2]" 1
2670 2 28 LEU HA 2 28 LEU MD1 2.900 . 4.800 3.613 3.557 3.660 . 0 0 "[ . 1 . 2]" 1
2671 2 28 LEU HA 2 28 LEU MD2 2.400 . 4.200 1.938 1.885 1.987 . 0 0 "[ . 1 . 2]" 1
2672 2 67 LEU H 2 67 LEU HG 3.400 . 5.000 4.496 4.477 4.520 . 0 0 "[ . 1 . 2]" 1
2673 2 67 LEU HA 2 67 LEU HG 2.400 . 2.700 2.656 2.624 2.696 . 0 0 "[ . 1 . 2]" 1
2674 2 67 LEU HA 2 67 LEU MD1 2.400 . 4.200 2.464 2.439 2.487 . 0 0 "[ . 1 . 2]" 1
2675 2 67 LEU HA 2 67 LEU MD2 2.900 . 4.800 3.864 3.853 3.880 . 0 0 "[ . 1 . 2]" 1
2676 2 69 LEU H 2 69 LEU HG 2.400 . 2.900 2.928 2.904 2.950 0.050 18 0 "[ . 1 . 2]" 1
2677 2 69 LEU HA 2 69 LEU HG 2.900 . 3.300 3.088 3.023 3.138 . 0 0 "[ . 1 . 2]" 1
2678 2 69 LEU HA 2 69 LEU MD1 2.900 . 4.800 3.776 3.749 3.797 . 0 0 "[ . 1 . 2]" 1
2679 2 69 LEU HA 2 69 LEU MD2 2.400 . 4.200 1.862 1.825 1.916 . 0 0 "[ . 1 . 2]" 1
2680 2 71 LEU H 2 71 LEU HG 2.400 . 2.900 2.599 2.534 2.667 . 0 0 "[ . 1 . 2]" 1
2681 2 71 LEU HA 2 71 LEU HG 2.900 . 3.300 3.507 3.494 3.517 0.217 7 0 "[ . 1 . 2]" 1
2682 2 71 LEU HA 2 71 LEU MD1 2.900 . 4.800 3.515 3.505 3.523 . 0 0 "[ . 1 . 2]" 1
2683 2 71 LEU HA 2 71 LEU MD2 2.400 . 4.200 2.037 2.021 2.054 . 0 0 "[ . 1 . 2]" 1
2684 2 98 LEU H 2 98 LEU HG 2.900 . 3.500 3.023 2.966 3.065 . 0 0 "[ . 1 . 2]" 1
2685 2 98 LEU HA 2 98 LEU HG 2.400 . 2.700 2.760 2.707 2.830 0.130 4 0 "[ . 1 . 2]" 1
2686 2 98 LEU HA 2 98 LEU MD1 2.900 . 4.800 3.750 3.709 3.783 . 0 0 "[ . 1 . 2]" 1
2687 2 98 LEU HA 2 98 LEU MD2 2.400 . 4.200 1.812 1.743 1.922 0.057 14 0 "[ . 1 . 2]" 1
2688 2 101 LEU H 2 101 LEU HG 2.900 . 3.500 2.623 2.370 3.037 . 0 0 "[ . 1 . 2]" 1
2689 2 101 LEU HA 2 101 LEU HG 2.400 . 2.700 2.785 2.705 2.916 0.216 19 0 "[ . 1 . 2]" 1
2690 2 101 LEU HA 2 101 LEU MD1 2.900 . 4.800 3.855 3.806 3.900 . 0 0 "[ . 1 . 2]" 1
2691 2 101 LEU HA 2 101 LEU MD2 2.400 . 4.200 2.134 1.963 2.336 . 0 0 "[ . 1 . 2]" 1
2692 2 102 LEU H 2 102 LEU HG 2.900 . 3.500 2.657 2.560 2.806 . 0 0 "[ . 1 . 2]" 1
2693 2 102 LEU HA 2 102 LEU HG 2.400 . 2.700 2.757 2.711 2.797 0.097 1 0 "[ . 1 . 2]" 1
2694 2 102 LEU HA 2 102 LEU MD1 2.900 . 4.800 3.816 3.786 3.844 . 0 0 "[ . 1 . 2]" 1
2695 2 102 LEU HA 2 102 LEU MD2 2.400 . 4.200 1.892 1.804 2.021 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 356
_Distance_constraint_stats_list.Viol_count 402
_Distance_constraint_stats_list.Viol_total 1745.165
_Distance_constraint_stats_list.Viol_max 0.846
_Distance_constraint_stats_list.Viol_rms 0.0657
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0123
_Distance_constraint_stats_list.Viol_average_violations_only 0.2171
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 ALA 0.638 0.320 17 0 "[ . 1 . 2]"
1 14 GLU 1.577 0.478 16 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.143 0.143 19 0 "[ . 1 . 2]"
1 18 ASP 0.627 0.475 9 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASP 14.417 0.846 5 17 "[****+****1** *** **-]"
1 22 PHE 13.548 0.259 19 0 "[ . 1 . 2]"
1 23 VAL 16.541 0.510 17 1 "[ . 1 . + 2]"
1 24 GLU 4.316 0.268 3 0 "[ . 1 . 2]"
1 25 VAL 32.701 0.453 14 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.061 0.061 18 0 "[ . 1 . 2]"
1 28 LYS 1.723 0.512 18 1 "[ . 1 . + 2]"
1 29 GLU 0.321 0.154 6 0 "[ . 1 . 2]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PRO 0.645 0.317 12 0 "[ . 1 . 2]"
2 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 LYS 2.215 0.478 16 0 "[ . 1 . 2]"
2 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 GLN 6.196 0.440 1 0 "[ . 1 . 2]"
2 56 LYS 10.592 0.340 17 0 "[ . 1 . 2]"
2 57 ILE 26.340 0.510 17 1 "[ . 1 . + 2]"
2 58 SER 0.154 0.033 10 0 "[ . 1 . 2]"
2 59 PRO 7.725 0.425 17 0 "[ . 1 . 2]"
2 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 LYS 14.417 0.846 5 17 "[****+****1** *** **-]"
2 64 LYS 0.082 0.082 13 0 "[ . 1 . 2]"
2 66 GLN 4.091 0.475 9 0 "[ . 1 . 2]"
2 67 LEU 0.067 0.038 16 0 "[ . 1 . 2]"
2 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 ASN 0.412 0.074 12 0 "[ . 1 . 2]"
2 79 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 95 LYS 4.971 0.453 14 0 "[ . 1 . 2]"
2 96 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 97 LEU 0.645 0.317 12 0 "[ . 1 . 2]"
2 99 GLN 8.100 0.406 17 0 "[ . 1 . 2]"
2 100 GLN 0.869 0.512 18 1 "[ . 1 . + 2]"
2 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 103 PRO 0.382 0.154 6 0 "[ . 1 . 2]"
2 106 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 ALA MB 2 21 LYS QE 2.900 . 5.800 3.514 2.036 4.336 . 0 0 "[ . 1 . 2]" 2
2 1 13 ALA MB 2 21 LYS QD 2.900 . 5.800 3.694 1.480 4.500 0.320 17 0 "[ . 1 . 2]" 2
3 1 14 GLU HA 2 21 LYS QD 3.900 . 7.000 4.931 1.871 6.109 . 0 0 "[ . 1 . 2]" 2
4 1 14 GLU QB 2 21 LYS QE 2.900 . 5.300 3.193 1.402 4.164 0.398 12 0 "[ . 1 . 2]" 2
5 1 14 GLU QG 2 21 LYS QE 2.900 . 5.300 2.961 1.689 4.362 0.111 17 0 "[ . 1 . 2]" 2
6 1 14 GLU QG 2 21 LYS QD 2.900 . 5.300 3.787 2.020 4.257 . 0 0 "[ . 1 . 2]" 2
7 1 14 GLU HA 2 21 LYS QE 2.900 . 4.300 3.613 1.322 4.185 0.478 16 0 "[ . 1 . 2]" 2
8 1 16 ASP HA 2 20 LYS QE 3.400 . 6.000 4.881 4.436 5.435 . 0 0 "[ . 1 . 2]" 2
9 1 16 ASP QB 2 20 LYS QE 3.400 . 7.000 4.654 2.478 5.696 . 0 0 "[ . 1 . 2]" 2
10 1 17 GLU QG 2 64 LYS QE 3.400 . 7.000 3.501 2.811 4.308 . 0 0 "[ . 1 . 2]" 2
11 1 17 GLU HA 2 66 GLN QE 3.400 . 6.000 4.037 3.266 4.719 . 0 0 "[ . 1 . 2]" 2
12 1 17 GLU QG 2 66 GLN QE 3.400 . 7.000 3.971 2.393 4.774 . 0 0 "[ . 1 . 2]" 2
13 1 17 GLU QB 2 66 GLN QE 3.400 . 7.000 3.654 1.657 4.835 0.143 19 0 "[ . 1 . 2]" 2
14 1 17 GLU HA 2 78 ASN QD 3.400 . 6.000 5.205 4.739 5.374 . 0 0 "[ . 1 . 2]" 2
15 1 17 GLU QG 2 78 ASN QD 3.400 . 7.000 4.389 3.630 4.778 . 0 0 "[ . 1 . 2]" 2
16 1 17 GLU QB 2 78 ASN QD 3.400 . 7.000 3.068 2.761 3.379 . 0 0 "[ . 1 . 2]" 2
17 1 18 ASP H 2 62 LYS QE 3.400 . 6.000 5.196 5.043 5.506 . 0 0 "[ . 1 . 2]" 2
18 1 18 ASP H 2 64 LYS QE 3.900 . 7.000 2.457 1.718 4.132 0.082 13 0 "[ . 1 . 2]" 2
19 1 18 ASP QB 2 62 LYS QE 2.900 . 5.300 2.527 1.859 3.453 . 0 0 "[ . 1 . 2]" 2
20 1 18 ASP QB 2 66 GLN QE 3.400 . 7.000 2.885 1.325 4.114 0.475 9 0 "[ . 1 . 2]" 2
21 1 18 ASP H 2 78 ASN QD 3.900 . 7.000 4.780 4.392 5.160 . 0 0 "[ . 1 . 2]" 2
22 1 18 ASP HA 2 78 ASN QD 3.400 . 6.000 4.798 4.402 5.144 . 0 0 "[ . 1 . 2]" 2
23 1 18 ASP QB 2 78 ASN QD 3.400 . 7.000 4.631 4.095 5.432 . 0 0 "[ . 1 . 2]" 2
24 1 19 ASP QB 2 68 GLN QE 3.400 . 7.000 3.565 2.681 4.233 . 0 0 "[ . 1 . 2]" 2
25 1 20 GLU H 2 62 LYS QE 3.400 . 6.000 3.619 3.384 3.954 . 0 0 "[ . 1 . 2]" 2
26 1 20 GLU QB 2 62 LYS QE 2.900 . 5.300 4.132 3.941 4.373 . 0 0 "[ . 1 . 2]" 2
27 1 20 GLU QG 2 62 LYS QE 2.900 . 5.300 4.081 2.831 4.360 . 0 0 "[ . 1 . 2]" 2
28 1 21 ASP H 2 62 LYS QE 3.400 . 6.000 4.154 4.066 4.383 . 0 0 "[ . 1 . 2]" 2
29 1 21 ASP H 2 59 PRO QG 3.900 . 7.000 6.175 6.035 6.302 . 0 0 "[ . 1 . 2]" 2
30 1 21 ASP H 2 62 LYS QD 3.900 . 7.000 5.858 5.762 6.041 . 0 0 "[ . 1 . 2]" 2
31 1 21 ASP H 2 62 LYS QG 3.900 . 7.000 6.198 5.598 6.446 . 0 0 "[ . 1 . 2]" 2
32 1 21 ASP HA 2 62 LYS QD 3.400 . 6.000 5.228 5.159 5.270 . 0 0 "[ . 1 . 2]" 2
33 1 21 ASP HA 2 62 LYS QG 3.400 . 6.000 5.231 4.660 5.425 . 0 0 "[ . 1 . 2]" 2
34 1 21 ASP QB 2 58 SER HB2 3.900 . 7.000 3.961 3.347 4.381 . 0 0 "[ . 1 . 2]" 2
35 1 21 ASP QB 2 62 LYS QE 2.900 . 5.300 1.079 0.954 1.489 0.846 5 17 "[****+****1** *** **-]" 2
36 1 21 ASP QB 2 59 PRO QB 3.900 . 8.000 5.691 4.891 5.927 . 0 0 "[ . 1 . 2]" 2
37 1 21 ASP QB 2 59 PRO QG 2.900 . 5.300 3.953 3.075 4.160 . 0 0 "[ . 1 . 2]" 2
38 1 21 ASP QB 2 62 LYS QD 3.400 . 7.000 2.819 2.502 3.122 . 0 0 "[ . 1 . 2]" 2
39 1 21 ASP QB 2 62 LYS QG 3.900 . 8.000 2.930 2.349 3.235 . 0 0 "[ . 1 . 2]" 2
40 1 21 ASP QB 2 59 PRO QD 3.900 . 8.000 3.446 2.673 3.659 . 0 0 "[ . 1 . 2]" 2
41 1 21 ASP HA 2 62 LYS QE 2.900 . 4.300 3.843 3.734 3.962 . 0 0 "[ . 1 . 2]" 2
42 1 22 PHE H 2 59 PRO QD 3.900 . 7.000 3.884 3.777 4.088 . 0 0 "[ . 1 . 2]" 2
43 1 22 PHE H 2 62 LYS QE 3.900 . 7.000 4.817 4.310 5.088 . 0 0 "[ . 1 . 2]" 2
44 1 22 PHE H 2 59 PRO QG 3.900 . 7.000 5.015 4.826 5.420 . 0 0 "[ . 1 . 2]" 2
45 1 22 PHE H 2 56 LYS HB3 3.400 . 5.000 4.717 4.618 5.042 0.042 12 0 "[ . 1 . 2]" 2
46 1 22 PHE H 2 56 LYS HB2 3.400 . 5.000 5.189 5.127 5.232 0.232 20 0 "[ . 1 . 2]" 2
47 1 22 PHE HA 2 56 LYS HB3 3.400 . 5.000 4.042 3.957 4.247 . 0 0 "[ . 1 . 2]" 2
48 1 22 PHE HA 2 56 LYS HB2 3.400 . 5.000 4.550 4.416 4.698 . 0 0 "[ . 1 . 2]" 2
49 1 22 PHE HB2 2 57 ILE HA 3.400 . 5.000 5.201 5.151 5.259 0.259 19 0 "[ . 1 . 2]" 2
50 1 22 PHE HB2 2 56 LYS HB3 2.900 . 3.300 2.979 2.897 3.102 . 0 0 "[ . 1 . 2]" 2
51 1 22 PHE HB2 2 56 LYS HB2 3.400 . 5.000 2.778 2.732 2.858 . 0 0 "[ . 1 . 2]" 2
52 1 22 PHE HB2 2 56 LYS QD 3.900 . 7.000 3.229 2.959 4.187 . 0 0 "[ . 1 . 2]" 2
53 1 22 PHE HB2 2 56 LYS QG 3.900 . 7.000 3.907 3.705 3.970 . 0 0 "[ . 1 . 2]" 2
54 1 22 PHE HB2 2 68 GLN HB2 3.900 . 6.000 3.657 3.437 3.808 . 0 0 "[ . 1 . 2]" 2
55 1 22 PHE HB2 2 57 ILE QG 3.900 . 7.000 5.698 5.650 5.740 . 0 0 "[ . 1 . 2]" 2
56 1 22 PHE HB3 2 57 ILE HA 3.400 . 5.000 3.553 3.484 3.627 . 0 0 "[ . 1 . 2]" 2
57 1 22 PHE HB3 2 56 LYS HB3 2.900 . 3.300 2.192 2.078 2.425 . 0 0 "[ . 1 . 2]" 2
58 1 22 PHE HB3 2 56 LYS HB2 3.400 . 5.000 2.045 1.891 2.202 . 0 0 "[ . 1 . 2]" 2
59 1 22 PHE HB3 2 56 LYS QD 3.900 . 7.000 3.455 3.258 4.131 . 0 0 "[ . 1 . 2]" 2
60 1 22 PHE HB3 2 56 LYS QG 3.900 . 7.000 3.803 3.633 3.909 . 0 0 "[ . 1 . 2]" 2
61 1 22 PHE HB3 2 68 GLN HB2 3.900 . 6.000 3.386 3.211 3.590 . 0 0 "[ . 1 . 2]" 2
62 1 22 PHE HB3 2 57 ILE QG 3.900 . 7.000 4.307 4.234 4.355 . 0 0 "[ . 1 . 2]" 2
63 1 22 PHE QD 2 58 SER HB2 3.400 . 7.000 4.505 4.079 4.835 . 0 0 "[ . 1 . 2]" 2
64 1 22 PHE QD 2 59 PRO QD 3.400 . 8.000 4.264 4.165 4.467 . 0 0 "[ . 1 . 2]" 2
65 1 22 PHE QD 2 58 SER HB3 3.400 . 7.000 3.368 3.279 3.512 . 0 0 "[ . 1 . 2]" 2
66 1 22 PHE QD 2 66 GLN QG 3.400 . 8.000 5.691 5.519 5.868 . 0 0 "[ . 1 . 2]" 2
67 1 22 PHE QD 2 66 GLN HB2 3.400 . 7.000 4.019 3.770 4.209 . 0 0 "[ . 1 . 2]" 2
68 1 22 PHE QD 2 56 LYS HB3 3.400 . 7.000 3.985 3.857 4.180 . 0 0 "[ . 1 . 2]" 2
69 1 22 PHE QD 2 56 LYS HB2 3.400 . 7.000 3.196 3.021 3.349 . 0 0 "[ . 1 . 2]" 2
70 1 22 PHE QD 2 56 LYS QD 3.400 . 8.000 4.895 4.756 5.471 . 0 0 "[ . 1 . 2]" 2
71 1 22 PHE QD 2 68 GLN HB2 3.400 . 7.000 2.475 2.305 2.676 . 0 0 "[ . 1 . 2]" 2
72 1 22 PHE QD 2 57 ILE MG 3.400 . 8.500 4.108 3.931 4.240 . 0 0 "[ . 1 . 2]" 2
73 1 22 PHE QE 2 66 GLN HA 3.900 . 8.000 4.128 3.999 4.277 . 0 0 "[ . 1 . 2]" 2
74 1 22 PHE QE 2 57 ILE HA 3.400 . 7.000 3.714 3.483 3.991 . 0 0 "[ . 1 . 2]" 2
75 1 22 PHE QE 2 67 LEU HA 3.400 . 7.000 3.301 3.025 3.507 . 0 0 "[ . 1 . 2]" 2
76 1 22 PHE QE 2 58 SER HB2 3.400 . 7.000 4.296 3.858 4.589 . 0 0 "[ . 1 . 2]" 2
77 1 22 PHE QE 2 58 SER HB3 3.400 . 7.000 3.057 2.792 3.315 . 0 0 "[ . 1 . 2]" 2
78 1 22 PHE QE 2 66 GLN QG 3.400 . 8.000 4.087 3.905 4.269 . 0 0 "[ . 1 . 2]" 2
79 1 22 PHE QE 2 66 GLN HB2 2.900 . 5.300 2.126 1.842 2.330 . 0 0 "[ . 1 . 2]" 2
80 1 22 PHE QE 2 56 LYS HB2 3.900 . 8.000 5.187 5.025 5.342 . 0 0 "[ . 1 . 2]" 2
81 1 22 PHE QE 2 68 GLN HB2 3.400 . 7.000 3.054 2.841 3.239 . 0 0 "[ . 1 . 2]" 2
82 1 22 PHE HZ 2 66 GLN HA 3.900 . 6.000 5.326 5.156 5.409 . 0 0 "[ . 1 . 2]" 2
83 1 22 PHE HZ 2 68 GLN HA 3.900 . 6.000 5.406 5.234 5.639 . 0 0 "[ . 1 . 2]" 2
84 1 22 PHE HZ 2 58 SER HB2 3.400 . 5.000 4.724 4.252 5.016 0.016 13 0 "[ . 1 . 2]" 2
85 1 22 PHE HZ 2 58 SER HB3 3.400 . 5.000 3.351 3.036 3.700 . 0 0 "[ . 1 . 2]" 2
86 1 22 PHE HZ 2 66 GLN HB3 2.900 . 3.300 3.248 2.978 3.332 0.032 10 0 "[ . 1 . 2]" 2
87 1 22 PHE HZ 2 66 GLN HB2 2.900 . 3.300 2.494 2.387 2.590 . 0 0 "[ . 1 . 2]" 2
88 1 22 PHE QD 2 56 LYS H 3.900 . 8.000 4.586 4.435 4.700 . 0 0 "[ . 1 . 2]" 2
89 1 22 PHE QD 2 56 LYS HA 3.900 . 8.000 4.892 4.744 5.059 . 0 0 "[ . 1 . 2]" 2
90 1 22 PHE HA 2 56 LYS QD 3.900 . 7.000 4.873 4.652 5.645 . 0 0 "[ . 1 . 2]" 2
91 1 22 PHE QD 2 56 LYS QE 3.900 . 9.000 5.241 4.489 6.089 . 0 0 "[ . 1 . 2]" 2
92 1 22 PHE HB2 2 56 LYS QE 3.900 . 7.000 3.747 2.687 4.786 . 0 0 "[ . 1 . 2]" 2
93 1 22 PHE QE 2 57 ILE H 3.900 . 8.000 5.824 5.715 6.000 . 0 0 "[ . 1 . 2]" 2
94 1 22 PHE QD 2 57 ILE H 3.400 . 7.000 3.645 3.530 3.827 . 0 0 "[ . 1 . 2]" 2
95 1 22 PHE HA 2 57 ILE H 2.900 . 3.500 3.583 3.488 3.619 0.119 2 0 "[ . 1 . 2]" 2
96 1 22 PHE HB2 2 57 ILE H 3.400 . 5.000 4.346 4.279 4.398 . 0 0 "[ . 1 . 2]" 2
97 1 22 PHE HB3 2 57 ILE H 3.400 . 5.000 2.765 2.692 2.838 . 0 0 "[ . 1 . 2]" 2
98 1 22 PHE QD 2 57 ILE HA 2.900 . 5.300 2.285 2.098 2.452 . 0 0 "[ . 1 . 2]" 2
99 1 22 PHE QE 2 57 ILE MG 3.900 . 9.500 4.980 4.716 5.226 . 0 0 "[ . 1 . 2]" 2
100 1 22 PHE QE 2 58 SER H 3.400 . 7.000 2.902 2.765 3.053 . 0 0 "[ . 1 . 2]" 2
101 1 22 PHE HZ 2 58 SER H 3.400 . 5.000 4.481 4.321 4.626 . 0 0 "[ . 1 . 2]" 2
102 1 22 PHE HA 2 58 SER H 3.400 . 5.000 3.606 3.523 3.687 . 0 0 "[ . 1 . 2]" 2
103 1 22 PHE QE 2 58 SER HA 3.400 . 7.000 4.487 4.392 4.572 . 0 0 "[ . 1 . 2]" 2
104 1 22 PHE QD 2 58 SER HA 3.400 . 7.000 3.624 3.546 3.768 . 0 0 "[ . 1 . 2]" 2
105 1 22 PHE HA 2 58 SER HA 2.400 . 2.700 1.828 1.767 1.988 0.033 10 0 "[ . 1 . 2]" 2
106 1 22 PHE HA 2 58 SER HB3 3.400 . 5.000 3.647 3.436 3.954 . 0 0 "[ . 1 . 2]" 2
107 1 22 PHE HA 2 58 SER HB2 3.400 . 5.000 4.165 3.894 4.483 . 0 0 "[ . 1 . 2]" 2
108 1 22 PHE HA 2 59 PRO QB 3.400 . 6.000 4.940 4.782 5.403 . 0 0 "[ . 1 . 2]" 2
109 1 22 PHE HA 2 59 PRO QG 2.900 . 4.300 3.978 3.815 4.045 . 0 0 "[ . 1 . 2]" 2
110 1 22 PHE HA 2 59 PRO QD 2.900 . 4.300 2.171 2.084 2.274 . 0 0 "[ . 1 . 2]" 2
111 1 22 PHE QE 2 66 GLN H 3.400 . 7.000 4.209 4.087 4.298 . 0 0 "[ . 1 . 2]" 2
112 1 22 PHE HZ 2 66 GLN H 3.400 . 5.000 5.149 5.072 5.208 0.208 1 0 "[ . 1 . 2]" 2
113 1 22 PHE QE 2 66 GLN QE 3.400 . 8.000 3.004 2.671 4.100 . 0 0 "[ . 1 . 2]" 2
114 1 22 PHE HZ 2 66 GLN QE 3.400 . 6.000 2.327 1.586 3.662 0.214 8 0 "[ . 1 . 2]" 2
115 1 22 PHE QE 2 66 GLN HB3 2.900 . 5.300 2.654 2.385 2.846 . 0 0 "[ . 1 . 2]" 2
116 1 22 PHE HZ 2 66 GLN QG 3.400 . 6.000 3.958 3.708 4.125 . 0 0 "[ . 1 . 2]" 2
117 1 22 PHE QE 2 67 LEU H 3.400 . 7.000 3.081 2.913 3.207 . 0 0 "[ . 1 . 2]" 2
118 1 22 PHE HZ 2 67 LEU H 3.400 . 5.000 4.880 4.601 5.038 0.038 16 0 "[ . 1 . 2]" 2
119 1 22 PHE QE 2 68 GLN H 3.400 . 7.000 3.832 3.650 4.058 . 0 0 "[ . 1 . 2]" 2
120 1 22 PHE QD 2 68 GLN H 3.400 . 7.000 2.877 2.767 2.994 . 0 0 "[ . 1 . 2]" 2
121 1 22 PHE QE 2 68 GLN QE 3.400 . 8.000 3.514 3.206 3.707 . 0 0 "[ . 1 . 2]" 2
122 1 22 PHE QD 2 68 GLN QE 3.900 . 9.000 3.264 3.030 3.493 . 0 0 "[ . 1 . 2]" 2
123 1 22 PHE QE 2 68 GLN HB3 3.400 . 7.000 4.386 4.203 4.569 . 0 0 "[ . 1 . 2]" 2
124 1 22 PHE QD 2 68 GLN HB3 3.400 . 7.000 2.997 2.855 3.116 . 0 0 "[ . 1 . 2]" 2
125 1 22 PHE QE 2 68 GLN QG 3.900 . 9.000 4.576 4.456 4.729 . 0 0 "[ . 1 . 2]" 2
126 1 22 PHE QE 2 78 ASN HA 3.400 . 7.000 3.997 3.891 4.216 . 0 0 "[ . 1 . 2]" 2
127 1 22 PHE HZ 2 78 ASN HA 3.400 . 5.000 4.509 4.176 4.739 . 0 0 "[ . 1 . 2]" 2
128 1 22 PHE HZ 2 78 ASN HB3 3.400 . 5.000 3.733 3.536 3.886 . 0 0 "[ . 1 . 2]" 2
129 1 22 PHE HZ 2 78 ASN HB2 3.400 . 5.000 5.006 4.902 5.074 0.074 12 0 "[ . 1 . 2]" 2
130 1 22 PHE QE 2 79 PHE H 3.900 . 8.000 3.731 3.550 3.926 . 0 0 "[ . 1 . 2]" 2
131 1 22 PHE HZ 2 79 PHE H 3.900 . 6.000 4.718 4.416 5.128 . 0 0 "[ . 1 . 2]" 2
132 1 23 VAL H 2 57 ILE HA 3.400 . 5.000 4.323 4.251 4.359 . 0 0 "[ . 1 . 2]" 2
133 1 23 VAL H 2 58 SER HA 3.400 . 5.000 3.164 3.092 3.267 . 0 0 "[ . 1 . 2]" 2
134 1 23 VAL H 2 59 PRO QD 3.400 . 6.000 1.951 1.867 2.655 . 0 0 "[ . 1 . 2]" 2
135 1 23 VAL H 2 59 PRO QG 2.900 . 4.500 3.709 3.006 3.790 . 0 0 "[ . 1 . 2]" 2
136 1 23 VAL H 2 56 LYS HB3 3.400 . 5.000 3.655 3.581 3.807 . 0 0 "[ . 1 . 2]" 2
137 1 23 VAL H 2 56 LYS QD 3.400 . 6.000 4.607 4.406 5.097 . 0 0 "[ . 1 . 2]" 2
138 1 23 VAL H 2 57 ILE QG 2.900 . 4.500 2.706 2.679 2.734 . 0 0 "[ . 1 . 2]" 2
139 1 23 VAL H 2 57 ILE MD 2.900 . 5.000 4.304 4.276 4.333 . 0 0 "[ . 1 . 2]" 2
140 1 23 VAL HA 2 56 LYS QD 3.400 . 6.000 3.733 3.516 4.163 . 0 0 "[ . 1 . 2]" 2
141 1 23 VAL HB 2 56 LYS HA 3.900 . 6.000 5.486 5.382 5.535 . 0 0 "[ . 1 . 2]" 2
142 1 23 VAL HB 2 59 PRO HA 3.400 . 5.000 5.373 5.325 5.425 0.425 17 0 "[ . 1 . 2]" 2
143 1 23 VAL HB 2 57 ILE QG 2.900 . 4.300 3.544 3.484 3.573 . 0 0 "[ . 1 . 2]" 2
144 1 23 VAL HB 2 57 ILE MD 2.900 . 4.800 3.840 3.819 3.875 . 0 0 "[ . 1 . 2]" 2
145 1 23 VAL MG1 2 56 LYS HA 3.400 . 6.500 5.776 5.746 5.793 . 0 0 "[ . 1 . 2]" 2
146 1 23 VAL MG1 2 59 PRO HA 2.900 . 4.800 3.813 3.763 3.906 . 0 0 "[ . 1 . 2]" 2
147 1 23 VAL MG1 2 58 SER HA 3.900 . 7.500 4.175 4.084 4.304 . 0 0 "[ . 1 . 2]" 2
148 1 23 VAL MG1 2 57 ILE HB 3.400 . 6.500 5.530 5.505 5.550 . 0 0 "[ . 1 . 2]" 2
149 1 23 VAL MG1 2 57 ILE QG 3.400 . 7.500 3.686 3.673 3.710 . 0 0 "[ . 1 . 2]" 2
150 1 23 VAL MG1 2 57 ILE MD 2.900 . 6.300 4.307 4.254 4.358 . 0 0 "[ . 1 . 2]" 2
151 1 23 VAL MG2 2 56 LYS HA 3.400 . 6.500 4.277 4.191 4.342 . 0 0 "[ . 1 . 2]" 2
152 1 23 VAL MG2 2 59 PRO HA 2.900 . 4.800 2.664 2.620 2.706 . 0 0 "[ . 1 . 2]" 2
153 1 23 VAL MG2 2 58 SER HA 3.400 . 6.500 3.616 3.542 3.715 . 0 0 "[ . 1 . 2]" 2
154 1 23 VAL MG2 2 59 PRO QD 3.400 . 7.500 1.956 1.780 2.703 0.020 12 0 "[ . 1 . 2]" 2
155 1 23 VAL MG2 2 95 LYS QE 3.400 . 7.500 4.837 4.643 5.010 . 0 0 "[ . 1 . 2]" 2
156 1 23 VAL MG2 2 59 PRO QB 2.900 . 5.800 2.277 2.079 2.865 . 0 0 "[ . 1 . 2]" 2
157 1 23 VAL MG2 2 59 PRO QG 3.400 . 7.500 3.078 2.005 3.225 . 0 0 "[ . 1 . 2]" 2
158 1 23 VAL MG2 2 56 LYS QD 3.400 . 7.500 5.057 4.939 5.297 . 0 0 "[ . 1 . 2]" 2
159 1 23 VAL MG2 2 95 LYS QD 3.400 . 7.500 4.791 4.307 5.326 . 0 0 "[ . 1 . 2]" 2
160 1 23 VAL MG2 2 57 ILE QG 2.900 . 5.800 1.359 1.290 1.399 0.510 17 1 "[ . 1 . + 2]" 2
161 1 23 VAL MG2 2 57 ILE MD 2.900 . 6.300 2.125 2.082 2.199 . 0 0 "[ . 1 . 2]" 2
162 1 23 VAL MG1 2 57 ILE H 2.900 . 5.000 4.404 4.385 4.429 . 0 0 "[ . 1 . 2]" 2
163 1 23 VAL MG2 2 57 ILE H 2.900 . 5.000 2.741 2.657 2.796 . 0 0 "[ . 1 . 2]" 2
164 1 23 VAL MG2 2 58 SER H 3.400 . 6.500 4.547 4.523 4.577 . 0 0 "[ . 1 . 2]" 2
165 1 23 VAL MG1 2 59 PRO QB 2.900 . 5.800 2.244 2.104 2.880 . 0 0 "[ . 1 . 2]" 2
166 1 23 VAL MG1 2 59 PRO QG 2.900 . 5.800 1.948 1.559 2.025 0.241 17 0 "[ . 1 . 2]" 2
167 1 23 VAL MG1 2 59 PRO QD 3.400 . 7.500 2.077 1.931 2.829 . 0 0 "[ . 1 . 2]" 2
168 1 23 VAL MG1 2 60 GLU H 3.400 . 6.500 5.023 4.922 5.185 . 0 0 "[ . 1 . 2]" 2
169 1 24 GLU H 2 56 LYS HA 3.900 . 6.000 4.203 4.168 4.248 . 0 0 "[ . 1 . 2]" 2
170 1 24 GLU H 2 56 LYS QE 3.400 . 6.000 4.474 4.257 5.079 . 0 0 "[ . 1 . 2]" 2
171 1 24 GLU H 2 56 LYS QD 2.900 . 4.500 2.791 2.681 2.984 . 0 0 "[ . 1 . 2]" 2
172 1 24 GLU H 2 56 LYS QG 3.400 . 6.000 4.380 4.176 4.962 . 0 0 "[ . 1 . 2]" 2
173 1 24 GLU HA 2 56 LYS HA 2.400 . 2.700 2.066 2.028 2.114 . 0 0 "[ . 1 . 2]" 2
174 1 24 GLU HA 2 56 LYS QG 2.900 . 4.300 2.221 1.986 2.905 . 0 0 "[ . 1 . 2]" 2
175 1 24 GLU QB 2 56 LYS QE 2.900 . 5.300 3.523 2.869 3.771 . 0 0 "[ . 1 . 2]" 2
176 1 24 GLU QB 2 56 LYS QD 2.900 . 5.300 1.914 1.821 2.211 . 0 0 "[ . 1 . 2]" 2
177 1 24 GLU QB 2 56 LYS HB2 3.400 . 6.000 5.290 5.212 5.354 . 0 0 "[ . 1 . 2]" 2
178 1 24 GLU QB 2 56 LYS QG 2.900 . 5.300 3.464 3.294 4.081 . 0 0 "[ . 1 . 2]" 2
179 1 24 GLU QG 2 56 LYS HA 2.900 . 4.300 3.660 3.617 3.868 . 0 0 "[ . 1 . 2]" 2
180 1 24 GLU QG 2 54 CYS HA 3.400 . 6.000 5.100 4.815 5.183 . 0 0 "[ . 1 . 2]" 2
181 1 24 GLU QG 2 56 LYS QE 3.400 . 7.000 4.233 2.874 4.582 . 0 0 "[ . 1 . 2]" 2
182 1 24 GLU QG 2 56 LYS QD 2.900 . 5.300 2.794 2.056 2.973 . 0 0 "[ . 1 . 2]" 2
183 1 24 GLU QG 2 56 LYS QG 2.900 . 5.300 2.626 2.212 2.888 . 0 0 "[ . 1 . 2]" 2
184 1 24 GLU HA 2 54 CYS QB 3.900 . 7.000 4.957 4.679 5.089 . 0 0 "[ . 1 . 2]" 2
185 1 24 GLU QG 2 54 CYS QB 2.900 . 5.300 2.860 2.572 2.948 . 0 0 "[ . 1 . 2]" 2
186 1 24 GLU QB 2 54 CYS QB 3.400 . 7.000 4.799 4.498 4.894 . 0 0 "[ . 1 . 2]" 2
187 1 24 GLU HA 2 55 GLN H 3.900 . 6.000 4.835 4.793 4.879 . 0 0 "[ . 1 . 2]" 2
188 1 24 GLU QG 2 55 GLN H 3.400 . 6.000 3.462 3.342 3.708 . 0 0 "[ . 1 . 2]" 2
189 1 24 GLU HA 2 56 LYS H 3.400 . 5.000 4.424 4.392 4.478 . 0 0 "[ . 1 . 2]" 2
190 1 24 GLU QG 2 56 LYS H 3.400 . 6.000 5.018 4.901 5.207 . 0 0 "[ . 1 . 2]" 2
191 1 24 GLU QB 2 56 LYS HA 3.400 . 6.000 4.217 4.183 4.276 . 0 0 "[ . 1 . 2]" 2
192 1 24 GLU HA 2 56 LYS HB3 3.400 . 5.000 2.604 2.488 2.672 . 0 0 "[ . 1 . 2]" 2
193 1 24 GLU QG 2 56 LYS HB3 3.900 . 7.000 4.439 4.052 4.578 . 0 0 "[ . 1 . 2]" 2
194 1 24 GLU QB 2 56 LYS HB3 3.900 . 7.000 4.060 3.903 4.157 . 0 0 "[ . 1 . 2]" 2
195 1 24 GLU HA 2 56 LYS HB2 3.400 . 5.000 3.821 3.774 3.906 . 0 0 "[ . 1 . 2]" 2
196 1 24 GLU HA 2 56 LYS QD 2.900 . 4.300 2.098 1.807 2.213 . 0 0 "[ . 1 . 2]" 2
197 1 24 GLU HA 2 56 LYS QE 2.900 . 4.300 4.079 3.818 4.172 . 0 0 "[ . 1 . 2]" 2
198 1 24 GLU HA 2 57 ILE H 2.900 . 3.500 3.716 3.692 3.768 0.268 3 0 "[ . 1 . 2]" 2
199 1 25 VAL H 2 56 LYS HA 2.900 . 3.500 1.866 1.780 2.024 0.020 7 0 "[ . 1 . 2]" 2
200 1 25 VAL H 2 55 GLN QG 2.900 . 4.500 3.141 3.026 3.267 . 0 0 "[ . 1 . 2]" 2
201 1 25 VAL H 2 56 LYS QD 2.900 . 4.500 3.861 3.525 3.989 . 0 0 "[ . 1 . 2]" 2
202 1 25 VAL H 2 56 LYS HB2 3.400 . 5.000 4.635 4.555 4.732 . 0 0 "[ . 1 . 2]" 2
203 1 25 VAL H 2 56 LYS QG 2.900 . 4.500 3.043 2.898 3.488 . 0 0 "[ . 1 . 2]" 2
204 1 25 VAL H 2 57 ILE MG 3.400 . 6.500 4.590 4.475 4.732 . 0 0 "[ . 1 . 2]" 2
205 1 25 VAL H 2 57 ILE MD 3.400 . 6.500 4.897 4.767 4.974 . 0 0 "[ . 1 . 2]" 2
206 1 25 VAL HA 2 56 LYS HA 3.900 . 6.000 4.165 4.082 4.234 . 0 0 "[ . 1 . 2]" 2
207 1 25 VAL HB 2 56 LYS HA 2.900 . 3.300 3.586 3.539 3.640 0.340 17 0 "[ . 1 . 2]" 2
208 1 25 VAL HB 2 54 CYS HA 3.900 . 6.000 5.887 5.808 5.947 . 0 0 "[ . 1 . 2]" 2
209 1 25 VAL HB 2 54 CYS QB 3.400 . 6.000 5.121 4.869 5.290 . 0 0 "[ . 1 . 2]" 2
210 1 25 VAL HB 2 95 LYS QD 3.400 . 6.000 4.990 4.639 5.177 . 0 0 "[ . 1 . 2]" 2
211 1 25 VAL HB 2 57 ILE MD 3.400 . 6.500 4.570 4.453 4.703 . 0 0 "[ . 1 . 2]" 2
212 1 25 VAL MG2 2 55 GLN HA 3.400 . 6.500 4.582 4.505 4.681 . 0 0 "[ . 1 . 2]" 2
213 1 25 VAL MG2 2 56 LYS HA 2.900 . 4.800 1.753 1.668 1.838 0.132 1 0 "[ . 1 . 2]" 2
214 1 25 VAL MG2 2 95 LYS HA 3.900 . 7.500 3.847 3.644 4.028 . 0 0 "[ . 1 . 2]" 2
215 1 25 VAL MG2 2 99 GLN QG 3.400 . 7.500 5.456 5.184 5.521 . 0 0 "[ . 1 . 2]" 2
216 1 25 VAL MG2 2 55 GLN QG 2.900 . 5.800 3.111 2.949 3.241 . 0 0 "[ . 1 . 2]" 2
217 1 25 VAL MG2 2 57 ILE MG 2.900 . 6.300 1.700 1.635 1.770 0.165 19 0 "[ . 1 . 2]" 2
218 1 25 VAL MG2 2 57 ILE MD 2.900 . 6.300 2.124 2.052 2.241 . 0 0 "[ . 1 . 2]" 2
219 1 25 VAL MG1 2 55 GLN HA 3.900 . 7.500 5.753 5.641 5.837 . 0 0 "[ . 1 . 2]" 2
220 1 25 VAL MG1 2 56 LYS HA 3.400 . 6.500 4.507 4.463 4.563 . 0 0 "[ . 1 . 2]" 2
221 1 25 VAL MG1 2 95 LYS HA 3.900 . 7.500 3.163 3.015 3.353 . 0 0 "[ . 1 . 2]" 2
222 1 25 VAL MG1 2 96 ASP HA 3.400 . 6.500 4.202 4.129 4.304 . 0 0 "[ . 1 . 2]" 2
223 1 25 VAL MG1 2 99 GLN HA 3.400 . 6.500 4.449 4.219 4.607 . 0 0 "[ . 1 . 2]" 2
224 1 25 VAL MG1 2 99 GLN QG 2.900 . 5.800 3.341 3.082 3.406 . 0 0 "[ . 1 . 2]" 2
225 1 25 VAL MG1 2 55 GLN QG 2.900 . 5.800 2.844 2.721 2.941 . 0 0 "[ . 1 . 2]" 2
226 1 25 VAL MG1 2 57 ILE MG 3.400 . 8.000 3.294 3.184 3.388 . 0 0 "[ . 1 . 2]" 2
227 1 25 VAL MG1 2 57 ILE MD 3.400 . 8.000 3.038 2.915 3.166 . 0 0 "[ . 1 . 2]" 2
228 1 25 VAL H 2 55 GLN H 3.400 . 5.000 3.539 3.396 3.675 . 0 0 "[ . 1 . 2]" 2
229 1 25 VAL HB 2 55 GLN H 2.900 . 3.500 3.508 3.420 3.549 0.049 20 0 "[ . 1 . 2]" 2
230 1 25 VAL MG2 2 55 GLN H 2.900 . 5.000 4.453 4.408 4.499 . 0 0 "[ . 1 . 2]" 2
231 1 25 VAL HB 2 55 GLN QE 2.900 . 4.500 2.888 2.497 3.098 . 0 0 "[ . 1 . 2]" 2
232 1 25 VAL MG1 2 55 GLN QE 2.900 . 6.000 2.360 2.241 2.581 . 0 0 "[ . 1 . 2]" 2
233 1 25 VAL HB 2 55 GLN HA 3.900 . 6.000 4.508 4.398 4.586 . 0 0 "[ . 1 . 2]" 2
234 1 25 VAL HB 2 55 GLN HB3 3.400 . 5.000 4.004 3.881 4.078 . 0 0 "[ . 1 . 2]" 2
235 1 25 VAL MG2 2 55 GLN HB3 3.400 . 6.500 4.621 4.508 4.736 . 0 0 "[ . 1 . 2]" 2
236 1 25 VAL HA 2 55 GLN QG 3.900 . 7.000 3.988 3.920 4.118 . 0 0 "[ . 1 . 2]" 2
237 1 25 VAL HB 2 55 GLN QG 2.900 . 4.300 1.509 1.360 1.631 0.440 1 0 "[ . 1 . 2]" 2
238 1 25 VAL H 2 56 LYS H 3.400 . 5.000 3.850 3.761 3.923 . 0 0 "[ . 1 . 2]" 2
239 1 25 VAL HB 2 56 LYS H 3.400 . 5.000 4.147 4.023 4.236 . 0 0 "[ . 1 . 2]" 2
240 1 25 VAL MG2 2 56 LYS H 2.900 . 5.000 3.281 3.180 3.382 . 0 0 "[ . 1 . 2]" 2
241 1 25 VAL MG2 2 56 LYS HB3 3.900 . 7.500 3.804 3.738 3.876 . 0 0 "[ . 1 . 2]" 2
242 1 25 VAL H 2 57 ILE H 3.400 . 5.000 4.036 3.863 4.232 . 0 0 "[ . 1 . 2]" 2
243 1 25 VAL HB 2 57 ILE H 3.400 . 5.000 5.275 5.245 5.314 0.314 10 0 "[ . 1 . 2]" 2
244 1 25 VAL MG2 2 57 ILE HB 2.900 . 4.800 3.830 3.781 3.883 . 0 0 "[ . 1 . 2]" 2
245 1 25 VAL HA 2 57 ILE QG 3.900 . 7.000 4.149 4.026 4.307 . 0 0 "[ . 1 . 2]" 2
246 1 25 VAL HA 2 57 ILE MG 3.400 . 6.500 4.865 4.755 4.936 . 0 0 "[ . 1 . 2]" 2
247 1 25 VAL HB 2 57 ILE MG 2.900 . 4.800 3.847 3.820 3.889 . 0 0 "[ . 1 . 2]" 2
248 1 25 VAL HA 2 57 ILE MD 2.900 . 4.800 3.948 3.926 3.968 . 0 0 "[ . 1 . 2]" 2
249 1 25 VAL MG2 2 67 LEU HB2 3.900 . 7.500 5.282 5.198 5.368 . 0 0 "[ . 1 . 2]" 2
250 1 25 VAL MG2 2 67 LEU HG 3.400 . 6.500 4.251 4.144 4.303 . 0 0 "[ . 1 . 2]" 2
251 1 25 VAL HB 2 67 LEU MD1 2.900 . 4.800 3.870 3.808 3.899 . 0 0 "[ . 1 . 2]" 2
252 1 25 VAL MG1 2 67 LEU MD1 2.900 . 6.300 3.557 3.414 3.703 . 0 0 "[ . 1 . 2]" 2
253 1 25 VAL MG2 2 67 LEU MD1 2.400 . 5.700 2.633 2.542 2.706 . 0 0 "[ . 1 . 2]" 2
254 1 25 VAL HB 2 67 LEU MD2 3.400 . 6.500 5.448 5.422 5.467 . 0 0 "[ . 1 . 2]" 2
255 1 25 VAL MG2 2 68 GLN H 3.400 . 6.500 4.232 4.107 4.333 . 0 0 "[ . 1 . 2]" 2
256 1 25 VAL MG1 2 95 LYS H 3.900 . 7.500 5.206 5.030 5.360 . 0 0 "[ . 1 . 2]" 2
257 1 25 VAL MG2 2 95 LYS H 3.900 . 7.500 5.669 5.539 5.820 . 0 0 "[ . 1 . 2]" 2
258 1 25 VAL MG1 2 95 LYS HB3 3.400 . 6.500 4.100 3.959 4.265 . 0 0 "[ . 1 . 2]" 2
259 1 25 VAL MG2 2 95 LYS HB3 3.400 . 6.500 4.662 4.542 4.787 . 0 0 "[ . 1 . 2]" 2
260 1 25 VAL MG1 2 95 LYS HB2 3.400 . 6.500 3.511 3.140 3.977 . 0 0 "[ . 1 . 2]" 2
261 1 25 VAL MG2 2 95 LYS HB2 3.400 . 6.500 3.483 3.199 3.937 . 0 0 "[ . 1 . 2]" 2
262 1 25 VAL MG1 2 95 LYS QG 2.400 . 5.200 1.551 1.347 1.701 0.453 14 0 "[ . 1 . 2]" 2
263 1 25 VAL MG2 2 95 LYS QG 2.400 . 5.200 2.594 2.141 2.905 . 0 0 "[ . 1 . 2]" 2
264 1 25 VAL MG1 2 95 LYS QD 2.400 . 5.200 2.706 2.137 3.114 . 0 0 "[ . 1 . 2]" 2
265 1 25 VAL MG2 2 95 LYS QD 2.400 . 5.200 3.084 2.727 3.460 . 0 0 "[ . 1 . 2]" 2
266 1 25 VAL MG1 2 95 LYS QE 2.400 . 5.200 3.144 2.739 3.779 . 0 0 "[ . 1 . 2]" 2
267 1 25 VAL MG2 2 95 LYS QE 2.400 . 5.200 3.844 3.780 3.874 . 0 0 "[ . 1 . 2]" 2
268 1 25 VAL MG1 2 96 ASP H 3.900 . 7.500 4.722 4.608 4.824 . 0 0 "[ . 1 . 2]" 2
269 1 25 VAL MG2 2 96 ASP H 3.900 . 7.500 6.034 5.896 6.117 . 0 0 "[ . 1 . 2]" 2
270 1 25 VAL HB 2 99 GLN H 3.400 . 5.000 5.346 5.264 5.406 0.406 17 0 "[ . 1 . 2]" 2
271 1 25 VAL MG1 2 99 GLN H 2.900 . 5.000 3.682 3.474 3.793 . 0 0 "[ . 1 . 2]" 2
272 1 25 VAL MG1 2 99 GLN QE 2.900 . 6.000 1.789 1.752 1.833 0.048 11 0 "[ . 1 . 2]" 2
273 1 25 VAL MG1 2 99 GLN HB3 3.400 . 6.500 3.007 2.760 3.128 . 0 0 "[ . 1 . 2]" 2
274 1 25 VAL MG1 2 99 GLN HB2 3.400 . 6.500 4.413 4.176 4.508 . 0 0 "[ . 1 . 2]" 2
275 1 25 VAL HB 2 102 LEU MD1 3.400 . 6.500 4.510 4.332 4.626 . 0 0 "[ . 1 . 2]" 2
276 1 26 PRO QD 2 95 LYS QD 3.900 . 8.000 4.945 4.145 5.594 . 0 0 "[ . 1 . 2]" 2
277 1 26 PRO QD 2 57 ILE MD 3.400 . 7.500 4.522 4.442 4.591 . 0 0 "[ . 1 . 2]" 2
278 1 26 PRO QD 2 99 GLN QE 3.400 . 7.000 2.594 2.387 2.720 . 0 0 "[ . 1 . 2]" 2
279 1 26 PRO QG 2 99 GLN QE 3.400 . 7.000 2.915 2.703 3.034 . 0 0 "[ . 1 . 2]" 2
280 1 26 PRO QG 2 99 GLN QG 3.400 . 7.000 5.335 5.209 5.399 . 0 0 "[ . 1 . 2]" 2
281 1 27 GLU H 2 99 GLN QE 3.900 . 7.000 4.684 4.552 4.803 . 0 0 "[ . 1 . 2]" 2
282 1 27 GLU QG 2 99 GLN HA 3.900 . 7.000 3.803 2.731 5.018 . 0 0 "[ . 1 . 2]" 2
283 1 27 GLU QG 2 103 PRO QD 3.400 . 7.000 3.295 1.739 4.362 0.061 18 0 "[ . 1 . 2]" 2
284 1 27 GLU QG 2 103 PRO QB 3.900 . 8.000 3.482 2.453 4.411 . 0 0 "[ . 1 . 2]" 2
285 1 27 GLU QG 2 103 PRO QG 3.400 . 7.000 3.689 2.737 4.386 . 0 0 "[ . 1 . 2]" 2
286 1 27 GLU QG 2 106 LYS QD 3.900 . 8.000 4.343 2.624 5.688 . 0 0 "[ . 1 . 2]" 2
287 1 27 GLU QG 2 102 LEU MD1 3.900 . 8.500 3.888 2.845 5.647 . 0 0 "[ . 1 . 2]" 2
288 1 27 GLU HA 2 55 GLN QE 3.900 . 7.000 4.723 3.703 6.325 . 0 0 "[ . 1 . 2]" 2
289 1 27 GLU HA 2 99 GLN H 3.900 . 6.000 4.531 4.347 4.775 . 0 0 "[ . 1 . 2]" 2
290 1 27 GLU HA 2 99 GLN QE 2.900 . 4.500 3.515 3.335 3.665 . 0 0 "[ . 1 . 2]" 2
291 1 27 GLU HA 2 99 GLN HA 3.900 . 6.000 2.121 1.985 2.310 . 0 0 "[ . 1 . 2]" 2
292 1 27 GLU HA 2 99 GLN HB2 3.400 . 5.000 2.653 2.179 2.944 . 0 0 "[ . 1 . 2]" 2
293 1 27 GLU HA 2 99 GLN QG 3.400 . 6.000 4.210 3.912 4.465 . 0 0 "[ . 1 . 2]" 2
294 1 27 GLU HA 2 102 LEU MD1 3.400 . 7.500 4.341 4.091 4.647 . 0 0 "[ . 1 . 2]" 2
295 1 28 LYS H 2 99 GLN QE 3.400 . 6.000 4.552 4.400 4.709 . 0 0 "[ . 1 . 2]" 2
296 1 28 LYS H 2 99 GLN QG 2.900 . 4.500 4.015 3.918 4.084 . 0 0 "[ . 1 . 2]" 2
297 1 28 LYS H 2 99 GLN HB2 2.900 . 3.500 2.249 2.116 2.369 . 0 0 "[ . 1 . 2]" 2
298 1 28 LYS QB 2 99 GLN HA 3.900 . 7.000 4.473 4.137 5.712 . 0 0 "[ . 1 . 2]" 2
299 1 28 LYS QB 2 99 GLN QG 2.900 . 5.300 3.030 2.747 4.021 . 0 0 "[ . 1 . 2]" 2
300 1 28 LYS QB 2 99 GLN HB2 2.900 . 4.300 2.296 1.910 3.677 . 0 0 "[ . 1 . 2]" 2
301 1 28 LYS QG 2 99 GLN QG 2.900 . 5.300 3.784 2.210 4.014 . 0 0 "[ . 1 . 2]" 2
302 1 28 LYS QG 2 99 GLN HB2 2.900 . 4.300 3.019 1.477 3.385 0.323 1 0 "[ . 1 . 2]" 2
303 1 28 LYS QD 2 99 GLN HA 3.900 . 7.000 4.399 4.297 4.493 . 0 0 "[ . 1 . 2]" 2
304 1 28 LYS QD 2 99 GLN QG 2.900 . 5.300 1.870 1.513 1.976 0.287 19 0 "[ . 1 . 2]" 2
305 1 28 LYS QD 2 99 GLN HB2 2.900 . 4.300 1.959 1.793 2.172 0.007 4 0 "[ . 1 . 2]" 2
306 1 28 LYS QE 2 96 ASP HA 3.900 . 7.000 3.913 3.555 4.327 . 0 0 "[ . 1 . 2]" 2
307 1 28 LYS QE 2 99 GLN HA 3.900 . 7.000 6.020 5.603 6.258 . 0 0 "[ . 1 . 2]" 2
308 1 28 LYS QE 2 99 GLN QG 2.900 . 5.300 2.883 2.592 3.556 . 0 0 "[ . 1 . 2]" 2
309 1 28 LYS QE 2 99 GLN HB3 3.400 . 6.000 4.886 4.671 5.177 . 0 0 "[ . 1 . 2]" 2
310 1 28 LYS QE 2 99 GLN HB2 2.900 . 4.300 3.753 3.576 4.011 . 0 0 "[ . 1 . 2]" 2
311 1 28 LYS QE 2 99 GLN H 3.900 . 7.000 5.690 5.293 6.167 . 0 0 "[ . 1 . 2]" 2
312 1 28 LYS QD 2 99 GLN H 3.400 . 5.000 4.375 4.029 4.427 . 0 0 "[ . 1 . 2]" 2
313 1 28 LYS QG 2 99 GLN H 3.900 . 7.000 6.016 4.147 6.310 . 0 0 "[ . 1 . 2]" 2
314 1 28 LYS QE 2 99 GLN QE 3.400 . 7.000 4.396 3.615 4.751 . 0 0 "[ . 1 . 2]" 2
315 1 28 LYS QD 2 99 GLN QE 2.900 . 5.500 2.775 2.600 3.311 . 0 0 "[ . 1 . 2]" 2
316 1 28 LYS QG 2 99 GLN QE 2.900 . 5.500 3.960 3.579 4.203 . 0 0 "[ . 1 . 2]" 2
317 1 28 LYS QB 2 99 GLN HB3 3.900 . 7.000 3.942 3.590 5.193 . 0 0 "[ . 1 . 2]" 2
318 1 28 LYS QD 2 99 GLN HB3 2.900 . 4.300 2.954 2.797 3.269 . 0 0 "[ . 1 . 2]" 2
319 1 28 LYS QG 2 99 GLN HB3 3.400 . 6.000 4.057 3.177 4.436 . 0 0 "[ . 1 . 2]" 2
320 1 28 LYS HA 2 99 GLN QG 3.400 . 6.000 5.338 5.234 5.437 . 0 0 "[ . 1 . 2]" 2
321 1 28 LYS QE 2 100 GLN H 3.400 . 6.000 5.099 4.091 5.569 . 0 0 "[ . 1 . 2]" 2
322 1 28 LYS QB 2 100 GLN H 3.400 . 6.000 4.291 3.566 5.505 . 0 0 "[ . 1 . 2]" 2
323 1 28 LYS QG 2 100 GLN H 3.900 . 7.000 5.773 3.253 6.301 . 0 0 "[ . 1 . 2]" 2
324 1 28 LYS QE 2 100 GLN QE 3.400 . 7.000 3.783 1.774 5.273 0.026 9 0 "[ . 1 . 2]" 2
325 1 28 LYS QB 2 100 GLN QE 3.400 . 7.000 2.624 1.600 3.247 0.200 16 0 "[ . 1 . 2]" 2
326 1 28 LYS QG 2 100 GLN QE 3.900 . 8.000 4.236 1.288 5.008 0.512 18 1 "[ . 1 . + 2]" 2
327 1 28 LYS HA 2 100 GLN QE 3.400 . 6.000 4.892 4.294 5.463 . 0 0 "[ . 1 . 2]" 2
328 1 28 LYS QD 2 100 GLN QG 3.400 . 7.000 4.237 2.412 5.073 . 0 0 "[ . 1 . 2]" 2
329 1 28 LYS QG 2 100 GLN QG 3.900 . 8.000 4.964 1.945 5.831 . 0 0 "[ . 1 . 2]" 2
330 1 28 LYS QB 2 103 PRO QG 3.400 . 7.000 4.437 4.010 5.118 . 0 0 "[ . 1 . 2]" 2
331 1 29 GLU HA 2 100 GLN QG 3.400 . 6.000 5.238 4.963 5.440 . 0 0 "[ . 1 . 2]" 2
332 1 29 GLU HA 2 103 PRO QB 3.400 . 6.000 3.766 3.026 4.685 . 0 0 "[ . 1 . 2]" 2
333 1 29 GLU QB 2 103 PRO QB 3.400 . 7.000 3.006 2.082 4.072 . 0 0 "[ . 1 . 2]" 2
334 1 29 GLU HA 2 103 PRO QG 3.400 . 6.000 2.522 1.900 3.117 . 0 0 "[ . 1 . 2]" 2
335 1 29 GLU QG 2 103 PRO QG 3.400 . 7.000 2.930 1.646 3.851 0.154 6 0 "[ . 1 . 2]" 2
336 1 29 GLU QB 2 103 PRO QG 3.400 . 7.000 2.815 2.048 4.000 . 0 0 "[ . 1 . 2]" 2
337 1 29 GLU HA 2 103 PRO QD 3.900 . 7.000 4.004 2.846 4.709 . 0 0 "[ . 1 . 2]" 2
338 1 29 GLU QG 2 103 PRO QD 3.900 . 8.000 4.633 3.439 5.652 . 0 0 "[ . 1 . 2]" 2
339 1 29 GLU QB 2 103 PRO QD 3.900 . 8.000 4.565 3.802 5.689 . 0 0 "[ . 1 . 2]" 2
340 1 31 TYR QB 2 100 GLN HA 3.400 . 6.000 4.555 3.783 5.132 . 0 0 "[ . 1 . 2]" 2
341 1 31 TYR QD 2 99 GLN QG 3.400 . 8.000 4.416 3.633 5.475 . 0 0 "[ . 1 . 2]" 2
342 1 31 TYR QD 2 100 GLN QB 3.400 . 8.000 4.198 3.808 5.108 . 0 0 "[ . 1 . 2]" 2
343 1 31 TYR QD 2 99 GLN HB2 3.400 . 7.000 5.413 4.877 6.051 . 0 0 "[ . 1 . 2]" 2
344 1 31 TYR QE 2 96 ASP HA 3.400 . 7.000 4.563 3.696 6.013 . 0 0 "[ . 1 . 2]" 2
345 1 31 TYR QE 2 99 GLN QG 3.400 . 7.000 4.477 3.872 5.625 . 0 0 "[ . 1 . 2]" 2
346 1 31 TYR QE 2 100 GLN QB 3.400 . 8.000 4.643 3.818 6.250 . 0 0 "[ . 1 . 2]" 2
347 1 31 TYR QE 2 99 GLN HB2 3.400 . 7.000 6.210 5.685 6.629 . 0 0 "[ . 1 . 2]" 2
348 1 31 TYR QE 2 97 LEU QD 3.400 . 10.900 4.779 3.968 6.309 . 0 0 "[ . 1 . 2]" 2
349 1 31 TYR QB 2 100 GLN QG 3.900 . 9.000 3.741 2.720 4.559 . 0 0 "[ . 1 . 2]" 2
350 1 33 PRO QB 2 96 ASP HB3 3.900 . 7.000 4.741 2.914 5.999 . 0 0 "[ . 1 . 2]" 2
351 1 33 PRO QB 2 97 LEU QD 3.400 . 9.900 4.023 1.745 5.701 0.055 2 0 "[ . 1 . 2]" 2
352 1 33 PRO QG 2 97 LEU HA 3.400 . 6.000 4.697 3.033 5.440 . 0 0 "[ . 1 . 2]" 2
353 1 33 PRO QG 2 96 ASP HB3 3.900 . 7.000 5.098 2.682 6.265 . 0 0 "[ . 1 . 2]" 2
354 1 33 PRO QG 2 100 GLN QG 3.900 . 8.000 3.500 2.389 4.452 . 0 0 "[ . 1 . 2]" 2
355 1 33 PRO QG 2 100 GLN QB 3.900 . 8.000 4.491 3.143 5.457 . 0 0 "[ . 1 . 2]" 2
356 1 33 PRO QG 2 97 LEU QD 3.400 . 9.900 3.195 1.483 4.285 0.317 12 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 96
_Distance_constraint_stats_list.Viol_count 168
_Distance_constraint_stats_list.Viol_total 443.154
_Distance_constraint_stats_list.Viol_max 0.438
_Distance_constraint_stats_list.Viol_rms 0.0523
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.1319
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 VAL 0.187 0.082 19 0 "[ . 1 . 2]"
2 17 VAL 0.234 0.078 15 0 "[ . 1 . 2]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 GLY 0.234 0.078 15 0 "[ . 1 . 2]"
2 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 LEU 0.187 0.082 19 0 "[ . 1 . 2]"
2 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 MET 3.012 0.159 19 0 "[ . 1 . 2]"
2 31 GLU 0.966 0.110 1 0 "[ . 1 . 2]"
2 32 ARG 3.012 0.159 19 0 "[ . 1 . 2]"
2 33 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 TRP 0.084 0.031 15 0 "[ . 1 . 2]"
2 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 ILE 0.084 0.031 15 0 "[ . 1 . 2]"
2 47 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 TYR 2.524 0.110 1 0 "[ . 1 . 2]"
2 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 ILE 1.558 0.103 3 0 "[ . 1 . 2]"
2 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 SER 13.419 0.438 7 0 "[ . 1 . 2]"
2 65 ILE 0.150 0.078 4 0 "[ . 1 . 2]"
2 66 GLN 13.419 0.438 7 0 "[ . 1 . 2]"
2 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 80 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 PHE 0.150 0.078 4 0 "[ . 1 . 2]"
2 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 ALA 0.046 0.024 6 0 "[ . 1 . 2]"
2 88 VAL 0.036 0.036 20 0 "[ . 1 . 2]"
2 89 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 ARG 0.046 0.024 6 0 "[ . 1 . 2]"
2 92 ASP 0.036 0.036 20 0 "[ . 1 . 2]"
2 93 ALA 0.026 0.019 12 0 "[ . 1 . 2]"
2 94 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 95 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 96 ASP 2.440 0.190 13 0 "[ . 1 . 2]"
2 97 LEU 0.026 0.019 12 0 "[ . 1 . 2]"
2 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 99 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 100 GLN 2.440 0.190 13 0 "[ . 1 . 2]"
2 101 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 11 LEU H 2 28 LEU O 2.000 . 2.300 1.909 1.755 2.098 . 0 0 "[ . 1 . 2]" 3
2 2 11 LEU N 2 28 LEU O 3.000 2.500 3.300 2.695 2.645 2.755 . 0 0 "[ . 1 . 2]" 3
3 2 12 LEU H 2 28 LEU O 2.000 . 2.300 2.099 1.956 2.195 . 0 0 "[ . 1 . 2]" 3
4 2 12 LEU N 2 28 LEU O 3.000 2.500 3.300 3.072 2.934 3.171 . 0 0 "[ . 1 . 2]" 3
5 2 14 VAL H 2 26 LEU O 2.000 . 2.300 1.816 1.662 1.933 . 0 0 "[ . 1 . 2]" 3
6 2 14 VAL N 2 26 LEU O 3.000 2.500 3.300 2.759 2.639 2.847 . 0 0 "[ . 1 . 2]" 3
7 2 17 VAL H 2 24 GLY O 2.000 . 2.300 1.729 1.574 1.819 . 0 0 "[ . 1 . 2]" 3
8 2 17 VAL N 2 24 GLY O 3.000 2.500 3.300 2.695 2.560 2.766 . 0 0 "[ . 1 . 2]" 3
9 2 18 ARG H 2 80 HIS O 2.000 . 2.300 1.763 1.654 1.857 . 0 0 "[ . 1 . 2]" 3
10 2 18 ARG N 2 80 HIS O 3.000 2.500 3.300 2.672 2.572 2.767 . 0 0 "[ . 1 . 2]" 3
11 2 19 GLN H 2 22 GLN O 2.000 . 2.300 1.809 1.623 2.079 . 0 0 "[ . 1 . 2]" 3
12 2 19 GLN N 2 22 GLN O 3.000 2.500 3.300 2.735 2.575 2.982 . 0 0 "[ . 1 . 2]" 3
13 2 17 VAL O 2 24 GLY H 2.000 . 2.300 2.237 2.025 2.378 0.078 15 0 "[ . 1 . 2]" 3
14 2 17 VAL O 2 24 GLY N 3.000 2.500 3.300 2.832 2.754 2.907 . 0 0 "[ . 1 . 2]" 3
15 2 25 ALA H 2 36 ALA O 2.000 . 2.300 1.765 1.630 1.856 . 0 0 "[ . 1 . 2]" 3
16 2 25 ALA N 2 36 ALA O 3.000 2.500 3.300 2.712 2.588 2.792 . 0 0 "[ . 1 . 2]" 3
17 2 14 VAL O 2 26 LEU H 2.000 . 2.300 2.177 1.875 2.382 0.082 19 0 "[ . 1 . 2]" 3
18 2 14 VAL O 2 26 LEU N 3.000 2.500 3.300 2.976 2.731 3.155 . 0 0 "[ . 1 . 2]" 3
19 2 27 TYR H 2 34 ALA O 2.000 . 2.300 1.819 1.752 1.918 . 0 0 "[ . 1 . 2]" 3
20 2 27 TYR N 2 34 ALA O 3.000 2.500 3.300 2.792 2.728 2.894 . 0 0 "[ . 1 . 2]" 3
21 2 12 LEU O 2 28 LEU H 2.000 . 2.300 1.815 1.750 1.902 . 0 0 "[ . 1 . 2]" 3
22 2 12 LEU O 2 28 LEU N 3.000 2.500 3.300 2.718 2.677 2.773 . 0 0 "[ . 1 . 2]" 3
23 2 29 MET H 2 32 ARG O 2.000 . 2.300 1.774 1.670 1.879 . 0 0 "[ . 1 . 2]" 3
24 2 29 MET N 2 32 ARG O 3.000 2.500 3.300 2.642 2.586 2.700 . 0 0 "[ . 1 . 2]" 3
25 2 29 MET O 2 32 ARG H 2.000 . 2.300 2.431 2.396 2.459 0.159 19 0 "[ . 1 . 2]" 3
26 2 29 MET O 2 32 ARG N 3.000 2.500 3.300 3.301 3.204 3.370 0.070 15 0 "[ . 1 . 2]" 3
27 2 33 ILE H 2 47 HIS O 2.000 . 2.300 1.731 1.677 1.776 . 0 0 "[ . 1 . 2]" 3
28 2 33 ILE N 2 47 HIS O 3.000 2.500 3.300 2.712 2.651 2.761 . 0 0 "[ . 1 . 2]" 3
29 2 27 TYR O 2 34 ALA H 2.000 . 2.300 2.043 1.895 2.179 . 0 0 "[ . 1 . 2]" 3
30 2 27 TYR O 2 34 ALA N 3.000 2.500 3.300 3.020 2.881 3.157 . 0 0 "[ . 1 . 2]" 3
31 2 35 TRP H 2 45 ILE O 2.000 . 2.300 1.894 1.805 2.093 . 0 0 "[ . 1 . 2]" 3
32 2 35 TRP N 2 45 ILE O 3.000 2.500 3.300 2.831 2.752 3.022 . 0 0 "[ . 1 . 2]" 3
33 2 25 ALA O 2 36 ALA H 2.000 . 2.300 1.989 1.840 2.143 . 0 0 "[ . 1 . 2]" 3
34 2 25 ALA O 2 36 ALA N 3.000 2.500 3.300 2.962 2.824 3.116 . 0 0 "[ . 1 . 2]" 3
35 2 35 TRP O 2 45 ILE H 2.000 . 2.300 2.180 2.019 2.331 0.031 15 0 "[ . 1 . 2]" 3
36 2 35 TRP O 2 45 ILE N 3.000 2.500 3.300 3.144 2.985 3.303 0.003 19 0 "[ . 1 . 2]" 3
37 2 33 ILE O 2 47 HIS H 2.000 . 2.300 1.908 1.848 2.019 . 0 0 "[ . 1 . 2]" 3
38 2 33 ILE O 2 47 HIS N 3.000 2.500 3.300 2.885 2.827 2.976 . 0 0 "[ . 1 . 2]" 3
39 2 31 GLU O 2 49 TYR H 2.000 . 2.300 2.271 1.923 2.410 0.110 1 0 "[ . 1 . 2]" 3
40 2 31 GLU O 2 49 TYR N 3.000 2.500 3.300 3.230 2.891 3.381 0.081 1 0 "[ . 1 . 2]" 3
41 2 48 MET O 2 51 ASP H 2.000 . 2.300 1.967 1.898 2.015 . 0 0 "[ . 1 . 2]" 3
42 2 48 MET O 2 51 ASP N 3.000 2.500 3.300 2.902 2.843 2.957 . 0 0 "[ . 1 . 2]" 3
43 2 49 TYR O 2 52 ILE H 2.000 . 2.300 2.377 2.316 2.403 0.103 3 0 "[ . 1 . 2]" 3
44 2 49 TYR O 2 52 ILE N 3.000 2.500 3.300 3.278 3.222 3.315 0.015 1 0 "[ . 1 . 2]" 3
45 2 53 LYS H 2 70 VAL O 2.000 . 2.300 1.958 1.911 2.056 . 0 0 "[ . 1 . 2]" 3
46 2 53 LYS N 2 70 VAL O 3.000 2.500 3.300 2.776 2.717 2.868 . 0 0 "[ . 1 . 2]" 3
47 2 54 CYS H 2 70 VAL O 2.000 . 2.300 2.112 2.053 2.180 . 0 0 "[ . 1 . 2]" 3
48 2 54 CYS N 2 70 VAL O 3.000 2.500 3.300 3.070 3.018 3.146 . 0 0 "[ . 1 . 2]" 3
49 2 56 LYS H 2 68 GLN O 2.000 . 2.300 1.787 1.741 1.832 . 0 0 "[ . 1 . 2]" 3
50 2 56 LYS N 2 68 GLN O 3.000 2.500 3.300 2.667 2.623 2.703 . 0 0 "[ . 1 . 2]" 3
51 2 58 SER O 2 66 GLN H 2.000 . 2.300 2.670 2.614 2.738 0.438 7 0 "[ . 1 . 2]" 3
52 2 58 SER O 2 66 GLN N 3.000 2.500 3.300 3.601 3.533 3.669 0.369 7 0 "[ . 1 . 2]" 3
53 2 67 LEU H 2 79 PHE O 2.000 . 2.300 1.922 1.778 2.093 . 0 0 "[ . 1 . 2]" 3
54 2 67 LEU N 2 79 PHE O 3.000 2.500 3.300 2.880 2.749 3.031 . 0 0 "[ . 1 . 2]" 3
55 2 56 LYS O 2 68 GLN H 2.000 . 2.300 1.641 1.606 1.663 . 0 0 "[ . 1 . 2]" 3
56 2 56 LYS O 2 68 GLN N 3.000 2.500 3.300 2.607 2.585 2.630 . 0 0 "[ . 1 . 2]" 3
57 2 69 LEU H 2 77 THR O 2.000 . 2.300 1.889 1.832 1.999 . 0 0 "[ . 1 . 2]" 3
58 2 69 LEU N 2 77 THR O 3.000 2.500 3.300 2.849 2.793 2.959 . 0 0 "[ . 1 . 2]" 3
59 2 54 CYS O 2 70 VAL H 2.000 . 2.300 2.089 1.991 2.241 . 0 0 "[ . 1 . 2]" 3
60 2 54 CYS O 2 70 VAL N 3.000 2.500 3.300 2.924 2.864 3.048 . 0 0 "[ . 1 . 2]" 3
61 2 71 LEU H 2 75 ASP O 2.000 . 2.300 1.734 1.666 1.803 . 0 0 "[ . 1 . 2]" 3
62 2 71 LEU N 2 75 ASP O 3.000 2.500 3.300 2.651 2.604 2.686 . 0 0 "[ . 1 . 2]" 3
63 2 69 LEU O 2 77 THR H 2.000 . 2.300 2.067 1.946 2.263 . 0 0 "[ . 1 . 2]" 3
64 2 69 LEU O 2 77 THR N 3.000 2.500 3.300 2.930 2.837 3.018 . 0 0 "[ . 1 . 2]" 3
65 2 67 LEU O 2 79 PHE H 2.000 . 2.300 1.812 1.723 1.988 . 0 0 "[ . 1 . 2]" 3
66 2 67 LEU O 2 79 PHE N 3.000 2.500 3.300 2.772 2.708 2.941 . 0 0 "[ . 1 . 2]" 3
67 2 18 ARG O 2 80 HIS H 2.000 . 2.300 1.836 1.719 1.981 . 0 0 "[ . 1 . 2]" 3
68 2 18 ARG O 2 80 HIS N 3.000 2.500 3.300 2.784 2.689 2.914 . 0 0 "[ . 1 . 2]" 3
69 2 65 ILE O 2 81 PHE H 2.000 . 2.300 2.216 2.022 2.378 0.078 4 0 "[ . 1 . 2]" 3
70 2 65 ILE O 2 81 PHE N 3.000 2.500 3.300 3.127 2.953 3.281 . 0 0 "[ . 1 . 2]" 3
71 2 86 THR O 2 90 GLU H 2.000 . 2.300 1.686 1.626 1.827 . 0 0 "[ . 1 . 2]" 3
72 2 86 THR O 2 90 GLU N 3.000 2.500 3.300 2.660 2.606 2.793 . 0 0 "[ . 1 . 2]" 3
73 2 87 ALA O 2 91 ARG H 2.000 . 2.300 2.106 1.891 2.324 0.024 6 0 "[ . 1 . 2]" 3
74 2 87 ALA O 2 91 ARG N 3.000 2.500 3.300 2.977 2.800 3.181 . 0 0 "[ . 1 . 2]" 3
75 2 88 VAL O 2 92 ASP H 2.000 . 2.300 2.093 1.889 2.336 0.036 20 0 "[ . 1 . 2]" 3
76 2 88 VAL O 2 92 ASP N 3.000 2.500 3.300 3.014 2.837 3.241 . 0 0 "[ . 1 . 2]" 3
77 2 89 LYS O 2 93 ALA H 2.000 . 2.300 2.034 1.787 2.285 . 0 0 "[ . 1 . 2]" 3
78 2 89 LYS O 2 93 ALA N 3.000 2.500 3.300 2.924 2.698 3.177 . 0 0 "[ . 1 . 2]" 3
79 2 90 GLU O 2 94 VAL H 2.000 . 2.300 2.087 1.956 2.262 . 0 0 "[ . 1 . 2]" 3
80 2 90 GLU O 2 94 VAL N 3.000 2.500 3.300 3.022 2.891 3.155 . 0 0 "[ . 1 . 2]" 3
81 2 91 ARG O 2 95 LYS H 2.000 . 2.300 1.874 1.668 2.023 . 0 0 "[ . 1 . 2]" 3
82 2 91 ARG O 2 95 LYS N 3.000 2.500 3.300 2.764 2.633 2.878 . 0 0 "[ . 1 . 2]" 3
83 2 92 ASP O 2 96 ASP H 2.000 . 2.300 1.725 1.648 1.796 . 0 0 "[ . 1 . 2]" 3
84 2 92 ASP O 2 96 ASP N 3.000 2.500 3.300 2.700 2.623 2.770 . 0 0 "[ . 1 . 2]" 3
85 2 93 ALA O 2 97 LEU H 2.000 . 2.300 2.206 2.059 2.319 0.019 12 0 "[ . 1 . 2]" 3
86 2 93 ALA O 2 97 LEU N 3.000 2.500 3.300 3.068 2.935 3.150 . 0 0 "[ . 1 . 2]" 3
87 2 94 VAL O 2 98 LEU H 2.000 . 2.300 2.012 1.867 2.135 . 0 0 "[ . 1 . 2]" 3
88 2 94 VAL O 2 98 LEU N 3.000 2.500 3.300 2.796 2.723 2.929 . 0 0 "[ . 1 . 2]" 3
89 2 95 LYS O 2 99 GLN H 2.000 . 2.300 2.100 1.970 2.259 . 0 0 "[ . 1 . 2]" 3
90 2 95 LYS O 2 99 GLN N 3.000 2.500 3.300 3.073 2.949 3.224 . 0 0 "[ . 1 . 2]" 3
91 2 96 ASP O 2 100 GLN H 2.000 . 2.300 2.422 2.373 2.490 0.190 13 0 "[ . 1 . 2]" 3
92 2 96 ASP O 2 100 GLN N 3.000 2.500 3.300 3.133 3.057 3.233 . 0 0 "[ . 1 . 2]" 3
93 2 97 LEU O 2 101 LEU H 2.000 . 2.300 1.792 1.651 1.888 . 0 0 "[ . 1 . 2]" 3
94 2 97 LEU O 2 101 LEU N 3.000 2.500 3.300 2.719 2.630 2.803 . 0 0 "[ . 1 . 2]" 3
95 2 98 LEU O 2 102 LEU H 2.000 . 2.300 1.635 1.576 1.695 . 0 0 "[ . 1 . 2]" 3
96 2 98 LEU O 2 102 LEU N 3.000 2.500 3.300 2.581 2.546 2.631 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 85.583
_Distance_constraint_stats_list.Viol_max 0.184
_Distance_constraint_stats_list.Viol_rms 0.0401
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1070
_Distance_constraint_stats_list.Viol_average_violations_only 0.1070
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 25 VAL 4.279 0.184 13 0 "[ . 1 . 2]"
2 55 GLN 4.279 0.184 13 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 25 VAL O 2 55 GLN H 2.000 . 2.300 2.440 2.393 2.484 0.184 13 0 "[ . 1 . 2]" 4
2 1 25 VAL O 2 55 GLN N 3.000 2.500 3.300 3.374 3.341 3.410 0.110 13 0 "[ . 1 . 2]" 4
stop_
save_
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