NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398548 |
1tkn   |
6236 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tkn
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 1190
_Distance_constraint_stats_list.Viol_count 1171
_Distance_constraint_stats_list.Viol_total 529.121
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0226
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 0.060 0.018 12 0 "[ . 1 . 2]"
1 2 VAL 0.060 0.018 12 0 "[ . 1 . 2]"
1 3 GLU 0.438 0.042 11 0 "[ . 1 . 2]"
1 4 ALA 0.365 0.042 11 0 "[ . 1 . 2]"
1 5 MET 0.067 0.020 7 0 "[ . 1 . 2]"
1 6 LEU 0.069 0.008 3 0 "[ . 1 . 2]"
1 7 ASN 0.137 0.024 6 0 "[ . 1 . 2]"
1 8 ASP 0.204 0.029 6 0 "[ . 1 . 2]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.793 0.055 16 0 "[ . 1 . 2]"
1 11 ARG 0.462 0.067 2 0 "[ . 1 . 2]"
1 12 LEU 2.820 0.134 15 0 "[ . 1 . 2]"
1 13 ALA 1.053 0.055 16 0 "[ . 1 . 2]"
1 14 LEU 1.104 0.090 8 0 "[ . 1 . 2]"
1 15 GLU 0.241 0.021 20 0 "[ . 1 . 2]"
1 16 ASN 3.580 0.134 15 0 "[ . 1 . 2]"
1 17 TYR 1.044 0.090 8 0 "[ . 1 . 2]"
1 18 ILE 0.788 0.049 7 0 "[ . 1 . 2]"
1 19 THR 2.206 0.073 8 0 "[ . 1 . 2]"
1 20 ALA 0.669 0.087 2 0 "[ . 1 . 2]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 1.062 0.052 16 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.648 0.031 13 0 "[ . 1 . 2]"
1 25 PRO 0.015 0.008 14 0 "[ . 1 . 2]"
1 26 PRO 0.015 0.008 14 0 "[ . 1 . 2]"
1 27 ARG 0.370 0.096 20 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 1.424 0.085 3 0 "[ . 1 . 2]"
1 30 HIS 0.402 0.096 20 0 "[ . 1 . 2]"
1 31 VAL 0.647 0.087 2 0 "[ . 1 . 2]"
1 32 PHE 1.663 0.085 3 0 "[ . 1 . 2]"
1 33 ASN 0.415 0.032 14 0 "[ . 1 . 2]"
1 34 MET 0.075 0.033 5 0 "[ . 1 . 2]"
1 35 LEU 0.809 0.064 5 0 "[ . 1 . 2]"
1 36 LYS 0.798 0.055 19 0 "[ . 1 . 2]"
1 37 LYS 1.520 0.153 15 0 "[ . 1 . 2]"
1 38 TYR 0.064 0.023 8 0 "[ . 1 . 2]"
1 39 VAL 0.150 0.026 13 0 "[ . 1 . 2]"
1 40 ARG 0.182 0.037 20 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLN 0.023 0.010 11 0 "[ . 1 . 2]"
1 44 LYS 0.061 0.057 10 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 0.061 0.010 11 0 "[ . 1 . 2]"
1 47 GLN 0.031 0.009 10 0 "[ . 1 . 2]"
1 48 HIS 0.065 0.017 5 0 "[ . 1 . 2]"
1 49 THR 2.164 0.160 8 0 "[ . 1 . 2]"
1 50 LEU 0.741 0.050 4 0 "[ . 1 . 2]"
1 51 LYS 0.124 0.018 15 0 "[ . 1 . 2]"
1 52 HIS 0.209 0.035 4 0 "[ . 1 . 2]"
1 53 PHE 0.713 0.086 6 0 "[ . 1 . 2]"
1 54 GLU 0.556 0.086 6 0 "[ . 1 . 2]"
1 55 HIS 0.614 0.044 14 0 "[ . 1 . 2]"
1 56 VAL 0.290 0.029 17 0 "[ . 1 . 2]"
1 57 ARG 0.092 0.019 8 0 "[ . 1 . 2]"
1 58 MET 0.324 0.044 14 0 "[ . 1 . 2]"
1 59 VAL 0.139 0.054 14 0 "[ . 1 . 2]"
1 60 ASP 0.085 0.018 4 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.399 0.031 10 0 "[ . 1 . 2]"
1 63 LYS 0.305 0.068 15 0 "[ . 1 . 2]"
1 64 ALA 0.065 0.013 19 0 "[ . 1 . 2]"
1 65 ALA 0.324 0.031 10 0 "[ . 1 . 2]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.143 0.068 15 0 "[ . 1 . 2]"
1 68 ARG 0.131 0.019 10 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLN 0.395 0.046 2 0 "[ . 1 . 2]"
1 71 VAL 2.470 0.160 8 0 "[ . 1 . 2]"
1 72 MET 0.880 0.054 19 0 "[ . 1 . 2]"
1 73 THR 0.395 0.046 2 0 "[ . 1 . 2]"
1 74 HIS 0.197 0.028 4 0 "[ . 1 . 2]"
1 75 LEU 0.779 0.054 19 0 "[ . 1 . 2]"
1 76 ARG 0.460 0.060 15 0 "[ . 1 . 2]"
1 77 VAL 0.315 0.027 3 0 "[ . 1 . 2]"
1 78 ILE 0.191 0.022 16 0 "[ . 1 . 2]"
1 79 TYR 0.198 0.034 19 0 "[ . 1 . 2]"
1 80 GLU 0.302 0.022 4 0 "[ . 1 . 2]"
1 81 ARG 0.216 0.021 15 0 "[ . 1 . 2]"
1 82 MET 0.112 0.024 16 0 "[ . 1 . 2]"
1 83 ASN 0.374 0.021 15 0 "[ . 1 . 2]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.251 0.024 16 0 "[ . 1 . 2]"
1 86 LEU 0.240 0.032 14 0 "[ . 1 . 2]"
1 87 SER 0.024 0.014 9 0 "[ . 1 . 2]"
1 88 LEU 0.144 0.016 13 0 "[ . 1 . 2]"
1 89 LEU 1.061 0.056 4 0 "[ . 1 . 2]"
1 90 TYR 0.068 0.011 6 0 "[ . 1 . 2]"
1 91 ASN 0.894 0.056 4 0 "[ . 1 . 2]"
1 92 VAL 0.035 0.005 1 0 "[ . 1 . 2]"
1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 VAL 0.293 0.039 5 0 "[ . 1 . 2]"
1 96 ALA 0.364 0.033 19 0 "[ . 1 . 2]"
1 97 GLU 1.108 0.047 5 0 "[ . 1 . 2]"
1 98 GLU 0.194 0.039 5 0 "[ . 1 . 2]"
1 99 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLN 0.816 0.047 5 0 "[ . 1 . 2]"
1 101 ASP 0.030 0.009 5 0 "[ . 1 . 2]"
1 102 GLU 0.213 0.023 3 0 "[ . 1 . 2]"
1 103 VAL 0.609 0.058 2 0 "[ . 1 . 2]"
1 104 ASP 0.253 0.019 9 0 "[ . 1 . 2]"
1 105 GLU 0.585 0.053 20 0 "[ . 1 . 2]"
1 106 LEU 0.295 0.058 2 0 "[ . 1 . 2]"
1 107 LEU 0.151 0.019 9 0 "[ . 1 . 2]"
1 108 GLN 0.647 0.053 20 0 "[ . 1 . 2]"
1 109 LYS 0.279 0.031 10 0 "[ . 1 . 2]"
1 110 GLU 0.041 0.020 14 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 73 THR H 1 74 HIS H 2.300 . 2.800 2.633 2.516 2.714 . 0 0 "[ . 1 . 2]" 1
2 1 1 ARG H1 1 2 VAL H 2.300 . 2.800 2.277 1.991 2.818 0.018 12 0 "[ . 1 . 2]" 1
3 1 74 HIS H 1 74 HIS QB 3.500 . 4.000 2.122 2.046 2.233 . 0 0 "[ . 1 . 2]" 1
4 1 1 ARG H1 1 1 ARG QB 2.800 . 3.300 2.364 2.017 2.954 . 0 0 "[ . 1 . 2]" 1
5 1 1 ARG H1 1 1 ARG QG 3.500 . 4.000 3.253 1.938 3.573 . 0 0 "[ . 1 . 2]" 1
6 1 73 THR MG 1 74 HIS H 3.500 . 4.000 2.249 2.044 2.410 . 0 0 "[ . 1 . 2]" 1
7 1 71 VAL HA 1 74 HIS H 3.000 . 3.500 3.439 3.284 3.528 0.028 4 0 "[ . 1 . 2]" 1
8 1 2 VAL H 1 3 GLU H 2.300 . 2.800 2.731 2.588 2.800 0.000 20 0 "[ . 1 . 2]" 1
9 1 2 VAL H 1 2 VAL HB 2.300 . 2.800 2.501 2.459 2.531 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL H 1 2 VAL MG2 2.800 . 3.300 2.235 2.050 2.399 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU H 1 4 ALA H 2.300 . 2.800 2.818 2.802 2.842 0.042 11 0 "[ . 1 . 2]" 1
12 1 3 GLU H 1 3 GLU QG 3.000 . 3.500 1.925 1.901 1.973 . 0 0 "[ . 1 . 2]" 1
13 1 51 LYS H 1 51 LYS QG 3.000 . 3.500 2.546 1.910 3.111 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL MG1 1 3 GLU H 3.500 . 4.000 3.337 3.320 3.348 . 0 0 "[ . 1 . 2]" 1
15 1 2 VAL H 1 4 ALA H 4.500 . 5.000 4.330 4.130 4.437 . 0 0 "[ . 1 . 2]" 1
16 1 4 ALA H 1 5 MET H 2.300 . 2.800 2.598 2.545 2.661 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLU QG 1 4 ALA H 3.500 . 4.000 3.001 1.894 3.584 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU QB 1 4 ALA H 3.000 . 3.500 2.725 2.469 3.156 . 0 0 "[ . 1 . 2]" 1
19 1 4 ALA H 1 4 ALA MB 2.800 . 3.300 2.216 2.137 2.240 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLU H 1 5 MET H 4.500 . 5.000 4.020 3.947 4.092 . 0 0 "[ . 1 . 2]" 1
21 1 5 MET H 1 7 ASN H 4.500 . 5.000 4.033 3.861 4.249 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL HA 1 5 MET H 3.000 . 3.500 3.220 3.173 3.278 . 0 0 "[ . 1 . 2]" 1
23 1 5 MET H 1 5 MET QG 3.000 . 3.500 2.255 1.951 2.460 . 0 0 "[ . 1 . 2]" 1
24 1 5 MET H 1 5 MET QB 2.800 . 3.300 2.484 2.389 2.634 . 0 0 "[ . 1 . 2]" 1
25 1 4 ALA MB 1 5 MET H 2.800 . 3.300 2.747 2.733 2.752 . 0 0 "[ . 1 . 2]" 1
26 1 6 LEU H 1 7 ASN H 2.300 . 2.800 2.643 2.566 2.723 . 0 0 "[ . 1 . 2]" 1
27 1 5 MET H 1 6 LEU H 2.300 . 2.800 2.617 2.563 2.697 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLU HA 1 6 LEU H 3.000 . 3.500 3.498 3.439 3.508 0.008 3 0 "[ . 1 . 2]" 1
29 1 5 MET QG 1 6 LEU H 4.500 . 5.000 3.940 3.622 4.115 . 0 0 "[ . 1 . 2]" 1
30 1 5 MET QB 1 6 LEU H 2.800 . 3.300 2.537 2.329 2.674 . 0 0 "[ . 1 . 2]" 1
31 1 6 LEU H 1 6 LEU QB 2.800 . 3.300 2.459 2.304 2.576 . 0 0 "[ . 1 . 2]" 1
32 1 6 LEU H 1 6 LEU HG 2.300 . 2.800 2.304 1.953 2.796 . 0 0 "[ . 1 . 2]" 1
33 1 6 LEU H 1 6 LEU MD1 3.500 . 4.000 3.055 2.529 3.342 . 0 0 "[ . 1 . 2]" 1
34 1 7 ASN H 1 7 ASN QB 2.800 . 3.300 2.221 2.053 2.520 . 0 0 "[ . 1 . 2]" 1
35 1 6 LEU QB 1 7 ASN H 3.000 . 3.500 2.667 2.483 2.877 . 0 0 "[ . 1 . 2]" 1
36 1 6 LEU MD1 1 7 ASN H 5.000 . 5.500 4.267 4.078 4.439 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU MD2 1 7 ASN H 6.000 . 6.500 4.865 4.729 5.030 . 0 0 "[ . 1 . 2]" 1
38 1 7 ASN H 1 8 ASP H 2.300 . 2.800 2.619 2.465 2.803 0.003 8 0 "[ . 1 . 2]" 1
39 1 76 ARG H 1 77 VAL H 2.300 . 2.800 2.629 2.537 2.694 . 0 0 "[ . 1 . 2]" 1
40 1 77 VAL H 1 78 ILE H 2.300 . 2.800 2.694 2.564 2.805 0.005 14 0 "[ . 1 . 2]" 1
41 1 74 HIS HA 1 77 VAL H 3.000 . 3.500 3.475 3.378 3.527 0.027 3 0 "[ . 1 . 2]" 1
42 1 5 MET HA 1 8 ASP H 3.000 . 3.500 3.445 3.272 3.520 0.020 7 0 "[ . 1 . 2]" 1
43 1 6 LEU HA 1 8 ASP H 4.500 . 5.000 4.469 4.212 4.822 . 0 0 "[ . 1 . 2]" 1
44 1 75 LEU HA 1 77 VAL H 4.500 . 5.000 4.314 4.139 4.487 . 0 0 "[ . 1 . 2]" 1
45 1 76 ARG QD 1 77 VAL H 5.000 . 5.500 4.386 4.117 4.632 . 0 0 "[ . 1 . 2]" 1
46 1 7 ASN QB 1 8 ASP H 2.800 . 3.300 2.623 2.323 2.810 . 0 0 "[ . 1 . 2]" 1
47 1 8 ASP H 1 8 ASP QB 2.800 . 3.300 2.189 2.063 2.523 . 0 0 "[ . 1 . 2]" 1
48 1 77 VAL H 1 77 VAL HB 2.300 . 2.800 2.363 2.240 2.442 . 0 0 "[ . 1 . 2]" 1
49 1 76 ARG QB 1 77 VAL H 3.500 . 4.000 2.834 2.465 3.575 . 0 0 "[ . 1 . 2]" 1
50 1 76 ARG QG 1 77 VAL H 3.500 . 4.000 3.251 2.196 3.621 . 0 0 "[ . 1 . 2]" 1
51 1 73 THR MG 1 77 VAL H 5.000 . 5.500 4.595 4.583 4.605 . 0 0 "[ . 1 . 2]" 1
52 1 77 VAL H 1 77 VAL MG2 2.800 . 3.300 2.415 2.239 2.695 . 0 0 "[ . 1 . 2]" 1
53 1 50 LEU MD1 1 51 LYS H 5.000 . 5.500 4.098 3.524 4.621 . 0 0 "[ . 1 . 2]" 1
54 1 51 LYS H 1 51 LYS QB 2.800 . 3.300 2.339 2.116 2.748 . 0 0 "[ . 1 . 2]" 1
55 1 48 HIS HA 1 51 LYS H 3.000 . 3.500 3.440 3.301 3.517 0.017 5 0 "[ . 1 . 2]" 1
56 1 50 LEU H 1 51 LYS H 2.300 . 2.800 2.716 2.532 2.818 0.018 15 0 "[ . 1 . 2]" 1
57 1 51 LYS H 1 52 HIS H 2.300 . 2.800 2.708 2.518 2.805 0.005 3 0 "[ . 1 . 2]" 1
58 1 7 ASN H 1 9 ARG H 4.500 . 5.000 4.267 3.957 4.546 . 0 0 "[ . 1 . 2]" 1
59 1 52 HIS H 1 53 PHE H 2.300 . 2.800 2.699 2.561 2.776 . 0 0 "[ . 1 . 2]" 1
60 1 5 MET HA 1 9 ARG H 4.500 . 5.000 4.240 3.799 4.721 . 0 0 "[ . 1 . 2]" 1
61 1 49 THR HA 1 52 HIS H 3.000 . 3.500 3.487 3.339 3.535 0.035 4 0 "[ . 1 . 2]" 1
62 1 52 HIS H 1 52 HIS QB 2.800 . 3.300 2.178 2.046 2.438 . 0 0 "[ . 1 . 2]" 1
63 1 51 LYS QB 1 52 HIS H 2.800 . 3.300 2.608 2.406 2.737 . 0 0 "[ . 1 . 2]" 1
64 1 52 HIS H 1 55 HIS QB 4.500 . 5.000 4.265 4.027 4.475 . 0 0 "[ . 1 . 2]" 1
65 1 9 ARG H 1 10 ARG H 2.300 . 2.800 2.674 2.613 2.729 . 0 0 "[ . 1 . 2]" 1
66 1 9 ARG H 1 9 ARG QD 3.500 . 4.000 3.252 2.889 3.567 . 0 0 "[ . 1 . 2]" 1
67 1 8 ASP QB 1 9 ARG H 3.500 . 4.000 2.487 2.287 2.795 . 0 0 "[ . 1 . 2]" 1
68 1 9 ARG H 1 9 ARG QB 2.300 . 2.800 2.357 2.162 2.524 . 0 0 "[ . 1 . 2]" 1
69 1 10 ARG H 1 11 ARG H 2.300 . 2.800 2.427 2.323 2.541 . 0 0 "[ . 1 . 2]" 1
70 1 7 ASN H 1 10 ARG H 4.500 . 5.000 4.796 4.624 4.978 . 0 0 "[ . 1 . 2]" 1
71 1 10 ARG H 1 12 LEU H 4.500 . 5.000 4.153 3.888 4.379 . 0 0 "[ . 1 . 2]" 1
72 1 7 ASN HA 1 10 ARG H 3.000 . 3.500 3.480 3.281 3.524 0.024 6 0 "[ . 1 . 2]" 1
73 1 10 ARG H 1 10 ARG QB 2.300 . 2.800 2.262 2.234 2.278 . 0 0 "[ . 1 . 2]" 1
74 1 10 ARG H 1 41 ALA MB 5.000 . 5.500 3.688 3.157 4.249 . 0 0 "[ . 1 . 2]" 1
75 1 10 ARG H 1 10 ARG QD 5.000 . 5.500 4.512 4.098 4.758 . 0 0 "[ . 1 . 2]" 1
76 1 10 ARG H 1 13 ALA MB 5.000 . 5.500 4.396 4.241 4.589 . 0 0 "[ . 1 . 2]" 1
77 1 11 ARG H 1 12 LEU H 2.300 . 2.800 2.776 2.628 2.867 0.067 2 0 "[ . 1 . 2]" 1
78 1 8 ASP HA 1 11 ARG H 3.000 . 3.500 3.333 3.204 3.511 0.011 16 0 "[ . 1 . 2]" 1
79 1 11 ARG H 1 11 ARG QD 3.500 . 4.000 3.571 3.341 3.607 . 0 0 "[ . 1 . 2]" 1
80 1 11 ARG H 1 11 ARG QB 2.300 . 2.800 2.210 2.109 2.566 . 0 0 "[ . 1 . 2]" 1
81 1 10 ARG QB 1 11 ARG H 3.000 . 3.500 2.560 2.403 2.709 . 0 0 "[ . 1 . 2]" 1
82 1 10 ARG QG 1 11 ARG H 3.500 . 4.000 3.573 3.548 3.583 . 0 0 "[ . 1 . 2]" 1
83 1 12 LEU H 1 13 ALA H 2.300 . 2.800 2.692 2.578 2.794 . 0 0 "[ . 1 . 2]" 1
84 1 8 ASP HA 1 12 LEU H 3.000 . 3.500 3.471 3.338 3.529 0.029 6 0 "[ . 1 . 2]" 1
85 1 11 ARG QG 1 12 LEU H 3.500 . 4.000 3.551 3.376 3.651 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU H 1 12 LEU QB 2.800 . 3.300 2.269 2.148 2.352 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU H 1 12 LEU MD2 3.500 . 4.000 3.119 2.993 3.295 . 0 0 "[ . 1 . 2]" 1
88 1 13 ALA H 1 14 LEU H 2.300 . 2.800 2.586 2.511 2.690 . 0 0 "[ . 1 . 2]" 1
89 1 13 ALA H 1 15 GLU H 4.500 . 5.000 4.093 3.840 4.210 . 0 0 "[ . 1 . 2]" 1
90 1 10 ARG HA 1 13 ALA H 3.000 . 3.500 3.527 3.504 3.555 0.055 16 0 "[ . 1 . 2]" 1
91 1 9 ARG HA 1 13 ALA H 4.500 . 5.000 4.006 3.835 4.320 . 0 0 "[ . 1 . 2]" 1
92 1 12 LEU QB 1 13 ALA H 3.500 . 4.000 3.452 3.418 3.506 . 0 0 "[ . 1 . 2]" 1
93 1 13 ALA H 1 13 ALA MB 2.800 . 3.300 2.203 2.080 2.251 . 0 0 "[ . 1 . 2]" 1
94 1 12 LEU MD1 1 13 ALA H 3.500 . 4.000 2.987 2.781 3.322 . 0 0 "[ . 1 . 2]" 1
95 1 11 ARG QB 1 13 ALA H 5.000 . 5.500 4.544 4.272 4.781 . 0 0 "[ . 1 . 2]" 1
96 1 14 LEU H 1 15 GLU H 2.300 . 2.800 2.568 2.483 2.687 . 0 0 "[ . 1 . 2]" 1
97 1 14 LEU H 1 16 ASN H 4.500 . 5.000 3.718 3.612 3.879 . 0 0 "[ . 1 . 2]" 1
98 1 14 LEU H 1 38 TYR QD 3.500 . 4.000 3.447 3.182 3.567 . 0 0 "[ . 1 . 2]" 1
99 1 14 LEU H 1 38 TYR QE 5.500 . 6.000 5.241 4.931 5.363 . 0 0 "[ . 1 . 2]" 1
100 1 11 ARG HA 1 14 LEU H 3.000 . 3.500 3.499 3.409 3.514 0.014 16 0 "[ . 1 . 2]" 1
101 1 14 LEU H 1 14 LEU QB 2.300 . 2.800 2.159 2.038 2.213 . 0 0 "[ . 1 . 2]" 1
102 1 13 ALA MB 1 14 LEU H 2.800 . 3.300 2.583 2.486 2.668 . 0 0 "[ . 1 . 2]" 1
103 1 14 LEU H 1 14 LEU MD2 5.000 . 5.500 3.753 3.485 3.907 . 0 0 "[ . 1 . 2]" 1
104 1 15 GLU H 1 16 ASN H 2.300 . 2.800 2.588 2.550 2.638 . 0 0 "[ . 1 . 2]" 1
105 1 12 LEU HA 1 15 GLU H 3.000 . 3.500 3.451 3.341 3.521 0.021 20 0 "[ . 1 . 2]" 1
106 1 15 GLU H 1 15 GLU QG 4.000 . 4.500 3.484 2.888 3.988 . 0 0 "[ . 1 . 2]" 1
107 1 15 GLU H 1 15 GLU QB 2.300 . 2.800 2.100 2.028 2.241 . 0 0 "[ . 1 . 2]" 1
108 1 15 GLU H 1 18 ILE HB 5.000 . 5.500 4.948 4.739 5.095 . 0 0 "[ . 1 . 2]" 1
109 1 14 LEU QB 1 15 GLU H 3.500 . 4.000 2.478 2.227 3.202 . 0 0 "[ . 1 . 2]" 1
110 1 14 LEU MD1 1 15 GLU H 5.000 . 5.500 3.516 3.320 3.710 . 0 0 "[ . 1 . 2]" 1
111 1 16 ASN H 1 17 TYR H 2.300 . 2.800 2.681 2.604 2.786 . 0 0 "[ . 1 . 2]" 1
112 1 16 ASN H 1 16 ASN QD 5.000 . 5.500 3.295 3.139 3.441 . 0 0 "[ . 1 . 2]" 1
113 1 13 ALA HA 1 16 ASN H 3.000 . 3.500 3.518 3.429 3.543 0.043 16 0 "[ . 1 . 2]" 1
114 1 12 LEU HA 1 16 ASN H 4.500 . 5.000 3.880 3.742 4.120 . 0 0 "[ . 1 . 2]" 1
115 1 16 ASN H 1 16 ASN QB 3.500 . 4.000 2.121 2.102 2.151 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU QB 1 16 ASN H 2.800 . 3.300 2.945 2.867 2.964 . 0 0 "[ . 1 . 2]" 1
117 1 17 TYR H 1 17 TYR QD 3.500 . 4.000 2.948 2.724 3.171 . 0 0 "[ . 1 . 2]" 1
118 1 15 GLU H 1 17 TYR H 4.500 . 5.000 4.499 4.366 4.613 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU HA 1 17 TYR H 3.000 . 3.500 3.549 3.524 3.590 0.090 8 0 "[ . 1 . 2]" 1
120 1 16 ASN QB 1 17 TYR H 3.000 . 3.500 2.597 2.541 2.658 . 0 0 "[ . 1 . 2]" 1
121 1 17 TYR H 1 18 ILE HB 4.500 . 5.000 4.623 4.539 4.683 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU MD1 1 17 TYR H 5.000 . 5.500 4.475 4.189 4.584 . 0 0 "[ . 1 . 2]" 1
123 1 17 TYR H 1 18 ILE H 2.300 . 2.800 2.556 2.489 2.609 . 0 0 "[ . 1 . 2]" 1
124 1 17 TYR QD 1 18 ILE H 2.800 . 3.300 2.964 2.952 2.987 . 0 0 "[ . 1 . 2]" 1
125 1 17 TYR QB 1 18 ILE H 4.500 . 5.000 3.392 3.253 3.594 . 0 0 "[ . 1 . 2]" 1
126 1 15 GLU HA 1 18 ILE H 3.000 . 3.500 3.497 3.401 3.517 0.017 8 0 "[ . 1 . 2]" 1
127 1 18 ILE H 1 18 ILE HB 2.300 . 2.800 2.382 2.332 2.418 . 0 0 "[ . 1 . 2]" 1
128 1 18 ILE H 1 18 ILE QG 3.000 . 3.500 2.370 2.289 2.457 . 0 0 "[ . 1 . 2]" 1
129 1 19 THR H 1 20 ALA H 2.300 . 2.800 2.686 2.597 2.754 . 0 0 "[ . 1 . 2]" 1
130 1 16 ASN HA 1 19 THR H 3.000 . 3.500 3.542 3.518 3.573 0.073 8 0 "[ . 1 . 2]" 1
131 1 19 THR H 1 19 THR HB 2.300 . 2.800 2.480 2.450 2.513 . 0 0 "[ . 1 . 2]" 1
132 1 15 GLU HA 1 19 THR H 4.500 . 5.000 4.384 4.167 4.598 . 0 0 "[ . 1 . 2]" 1
133 1 18 ILE HB 1 19 THR H 2.300 . 2.800 2.831 2.814 2.849 0.049 7 0 "[ . 1 . 2]" 1
134 1 19 THR H 1 21 LEU QB 4.500 . 5.000 4.488 4.469 4.504 . 0 0 "[ . 1 . 2]" 1
135 1 18 ILE MG 1 19 THR H 3.500 . 4.000 3.340 3.330 3.346 . 0 0 "[ . 1 . 2]" 1
136 1 20 ALA H 1 21 LEU H 2.300 . 2.800 2.570 2.534 2.602 . 0 0 "[ . 1 . 2]" 1
137 1 16 ASN HA 1 20 ALA H 4.500 . 5.000 4.891 4.626 5.015 0.015 11 0 "[ . 1 . 2]" 1
138 1 20 ALA H 1 20 ALA MB 2.800 . 3.300 2.190 2.125 2.236 . 0 0 "[ . 1 . 2]" 1
139 1 19 THR MG 1 20 ALA H 3.500 . 4.000 3.338 3.335 3.342 . 0 0 "[ . 1 . 2]" 1
140 1 20 ALA H 1 31 VAL MG1 5.000 . 5.500 4.076 3.788 4.400 . 0 0 "[ . 1 . 2]" 1
141 1 19 THR H 1 21 LEU H 4.500 . 5.000 3.828 3.663 3.906 . 0 0 "[ . 1 . 2]" 1
142 1 21 LEU H 1 23 ALA H 4.500 . 5.000 3.706 3.614 3.807 . 0 0 "[ . 1 . 2]" 1
143 1 18 ILE HA 1 21 LEU H 3.000 . 3.500 3.234 3.111 3.381 . 0 0 "[ . 1 . 2]" 1
144 1 21 LEU H 1 21 LEU QB 2.800 . 3.300 2.175 2.104 2.267 . 0 0 "[ . 1 . 2]" 1
145 1 21 LEU H 1 31 VAL MG1 5.000 . 5.500 3.467 3.167 3.834 . 0 0 "[ . 1 . 2]" 1
146 1 21 LEU H 1 21 LEU MD2 5.000 . 5.500 3.617 3.393 3.767 . 0 0 "[ . 1 . 2]" 1
147 1 21 LEU H 1 22 GLN H 2.300 . 2.800 2.694 2.610 2.773 . 0 0 "[ . 1 . 2]" 1
148 1 22 GLN H 1 23 ALA H 2.300 . 2.800 2.387 2.300 2.465 . 0 0 "[ . 1 . 2]" 1
149 1 22 GLN H 1 24 VAL H 4.500 . 5.000 5.015 4.989 5.029 0.029 19 0 "[ . 1 . 2]" 1
150 1 19 THR HA 1 22 GLN H 3.000 . 3.500 3.537 3.522 3.552 0.052 16 0 "[ . 1 . 2]" 1
151 1 18 ILE HA 1 22 GLN H 4.500 . 5.000 4.529 4.324 4.654 . 0 0 "[ . 1 . 2]" 1
152 1 22 GLN H 1 22 GLN QG 3.000 . 3.500 2.680 2.139 3.162 . 0 0 "[ . 1 . 2]" 1
153 1 22 GLN H 1 22 GLN QB 2.800 . 3.300 2.433 2.338 2.530 . 0 0 "[ . 1 . 2]" 1
154 1 21 LEU QB 1 22 GLN H 3.500 . 4.000 2.547 2.419 2.622 . 0 0 "[ . 1 . 2]" 1
155 1 18 ILE MG 1 22 GLN H 5.000 . 5.500 4.045 3.764 4.273 . 0 0 "[ . 1 . 2]" 1
156 1 21 LEU MD1 1 22 GLN H 5.000 . 5.500 4.548 4.402 4.600 . 0 0 "[ . 1 . 2]" 1
157 1 23 ALA H 1 24 VAL H 3.000 . 3.500 3.188 3.145 3.239 . 0 0 "[ . 1 . 2]" 1
158 1 23 ALA H 1 26 PRO HA 4.500 . 5.000 4.107 3.927 4.288 . 0 0 "[ . 1 . 2]" 1
159 1 20 ALA HA 1 23 ALA H 3.000 . 3.500 3.100 3.013 3.222 . 0 0 "[ . 1 . 2]" 1
160 1 21 LEU HA 1 23 ALA H 4.500 . 5.000 4.084 3.997 4.178 . 0 0 "[ . 1 . 2]" 1
161 1 22 GLN QG 1 23 ALA H 5.000 . 5.500 4.405 4.158 4.643 . 0 0 "[ . 1 . 2]" 1
162 1 22 GLN QB 1 23 ALA H 3.000 . 3.500 3.151 3.141 3.167 . 0 0 "[ . 1 . 2]" 1
163 1 21 LEU QB 1 23 ALA H 4.500 . 5.000 4.303 4.205 4.371 . 0 0 "[ . 1 . 2]" 1
164 1 23 ALA H 1 31 VAL MG1 6.000 . 6.500 5.177 4.981 5.364 . 0 0 "[ . 1 . 2]" 1
165 1 19 THR HA 1 23 ALA H 4.500 . 5.000 4.551 4.229 4.816 . 0 0 "[ . 1 . 2]" 1
166 1 23 ALA MB 1 24 VAL H 2.800 . 3.300 2.362 2.279 2.476 . 0 0 "[ . 1 . 2]" 1
167 1 24 VAL H 1 24 VAL MG2 2.800 . 3.300 2.284 2.202 2.374 . 0 0 "[ . 1 . 2]" 1
168 1 27 ARG H 1 28 PRO QD 4.500 . 5.000 3.432 3.167 3.721 . 0 0 "[ . 1 . 2]" 1
169 1 26 PRO QB 1 27 ARG H 3.000 . 3.500 2.802 2.486 3.125 . 0 0 "[ . 1 . 2]" 1
170 1 27 ARG H 1 27 ARG QB 3.000 . 3.500 2.421 2.251 2.686 . 0 0 "[ . 1 . 2]" 1
171 1 26 PRO QG 1 27 ARG H 5.000 . 5.500 4.327 4.073 4.593 . 0 0 "[ . 1 . 2]" 1
172 1 27 ARG H 1 27 ARG QG 3.500 . 4.000 3.093 2.434 3.570 . 0 0 "[ . 1 . 2]" 1
173 1 23 ALA MB 1 27 ARG H 3.500 . 4.000 3.345 3.335 3.351 . 0 0 "[ . 1 . 2]" 1
174 1 27 ARG H 1 31 VAL MG1 3.500 . 4.000 2.733 2.570 2.973 . 0 0 "[ . 1 . 2]" 1
175 1 29 ARG H 1 31 VAL H 4.500 . 5.000 3.755 3.696 3.834 . 0 0 "[ . 1 . 2]" 1
176 1 27 ARG HA 1 29 ARG H 4.500 . 5.000 3.354 3.296 3.427 . 0 0 "[ . 1 . 2]" 1
177 1 28 PRO QD 1 29 ARG H 3.500 . 4.000 3.049 2.904 3.184 . 0 0 "[ . 1 . 2]" 1
178 1 29 ARG H 1 29 ARG QD 4.500 . 5.000 3.280 1.806 4.466 . 0 0 "[ . 1 . 2]" 1
179 1 28 PRO QB 1 29 ARG H 3.500 . 4.000 2.995 2.784 3.281 . 0 0 "[ . 1 . 2]" 1
180 1 29 ARG H 1 29 ARG QG 3.500 . 4.000 2.294 1.831 3.596 . 0 0 "[ . 1 . 2]" 1
181 1 29 ARG H 1 31 VAL MG1 5.000 . 5.500 4.269 4.134 4.417 . 0 0 "[ . 1 . 2]" 1
182 1 29 ARG H 1 99 ILE MG 5.000 . 5.500 4.445 4.269 4.592 . 0 0 "[ . 1 . 2]" 1
183 1 29 ARG H 1 30 HIS H 2.300 . 2.800 2.317 2.287 2.362 . 0 0 "[ . 1 . 2]" 1
184 1 30 HIS H 1 31 VAL H 2.300 . 2.800 2.189 2.154 2.212 . 0 0 "[ . 1 . 2]" 1
185 1 30 HIS H 1 30 HIS HD2 5.000 . 5.500 4.870 4.391 5.041 . 0 0 "[ . 1 . 2]" 1
186 1 27 ARG HA 1 30 HIS H 4.500 . 5.000 3.862 3.804 3.939 . 0 0 "[ . 1 . 2]" 1
187 1 30 HIS H 1 30 HIS QB 2.800 . 3.300 2.285 2.169 2.331 . 0 0 "[ . 1 . 2]" 1
188 1 27 ARG QG 1 30 HIS H 4.500 . 5.000 4.225 3.629 4.471 . 0 0 "[ . 1 . 2]" 1
189 1 30 HIS H 1 32 PHE H 4.500 . 5.000 3.772 3.701 3.839 . 0 0 "[ . 1 . 2]" 1
190 1 30 HIS HD2 1 31 VAL H 5.500 . 6.000 5.031 4.650 5.350 . 0 0 "[ . 1 . 2]" 1
191 1 30 HIS QB 1 31 VAL H 3.000 . 3.500 2.666 2.592 2.812 . 0 0 "[ . 1 . 2]" 1
192 1 28 PRO HA 1 31 VAL H 4.500 . 5.000 3.664 3.592 3.768 . 0 0 "[ . 1 . 2]" 1
193 1 27 ARG QB 1 31 VAL H 3.000 . 3.500 3.116 3.013 3.134 . 0 0 "[ . 1 . 2]" 1
194 1 31 VAL H 1 31 VAL MG1 2.800 . 3.300 1.868 1.828 1.900 . 0 0 "[ . 1 . 2]" 1
195 1 29 ARG H 1 32 PHE H 4.500 . 5.000 4.609 4.547 4.681 . 0 0 "[ . 1 . 2]" 1
196 1 31 VAL H 1 32 PHE H 2.300 . 2.800 2.625 2.581 2.690 . 0 0 "[ . 1 . 2]" 1
197 1 32 PHE H 1 32 PHE QD 3.500 . 4.000 3.347 3.069 3.578 . 0 0 "[ . 1 . 2]" 1
198 1 99 ILE HA 1 101 ASP H 4.500 . 5.000 4.330 4.113 4.539 . 0 0 "[ . 1 . 2]" 1
199 1 29 ARG HA 1 32 PHE H 3.000 . 3.500 3.569 3.551 3.585 0.085 3 0 "[ . 1 . 2]" 1
200 1 32 PHE H 1 32 PHE QB 2.800 . 3.300 2.058 2.039 2.098 . 0 0 "[ . 1 . 2]" 1
201 1 101 ASP H 1 101 ASP QB 2.800 . 3.300 2.157 2.048 2.259 . 0 0 "[ . 1 . 2]" 1
202 1 100 GLN QB 1 101 ASP H 2.800 . 3.300 2.690 2.575 2.805 . 0 0 "[ . 1 . 2]" 1
203 1 31 VAL HB 1 32 PHE H 3.500 . 4.000 3.937 3.810 4.008 0.008 15 0 "[ . 1 . 2]" 1
204 1 32 PHE H 1 99 ILE MG 5.000 . 5.500 3.544 3.170 4.017 . 0 0 "[ . 1 . 2]" 1
205 1 32 PHE H 1 103 VAL MG2 5.000 . 5.500 4.245 3.983 4.456 . 0 0 "[ . 1 . 2]" 1
206 1 31 VAL MG2 1 32 PHE H 2.800 . 3.300 2.015 1.916 2.159 . 0 0 "[ . 1 . 2]" 1
207 1 32 PHE H 1 33 ASN H 2.300 . 2.800 2.641 2.544 2.715 . 0 0 "[ . 1 . 2]" 1
208 1 34 MET H 1 35 LEU H . . 2.800 2.724 2.627 2.774 . 0 0 "[ . 1 . 2]" 1
209 1 33 ASN H 1 33 ASN QD 4.500 . 5.000 4.433 4.339 4.463 . 0 0 "[ . 1 . 2]" 1
210 1 32 PHE QD 1 33 ASN H 3.500 . 4.000 3.173 2.058 3.569 . 0 0 "[ . 1 . 2]" 1
211 1 29 ARG HA 1 33 ASN H 4.500 . 5.000 4.908 4.691 5.018 0.018 3 0 "[ . 1 . 2]" 1
212 1 33 ASN QB 1 34 MET H 3.000 . 3.500 2.322 2.165 2.514 . 0 0 "[ . 1 . 2]" 1
213 1 33 ASN H 1 33 ASN QB 2.300 . 2.800 2.260 2.235 2.274 . 0 0 "[ . 1 . 2]" 1
214 1 34 MET H 1 34 MET ME 3.500 . 4.000 1.964 1.877 2.132 . 0 0 "[ . 1 . 2]" 1
215 1 35 LEU H 1 37 LYS H 4.500 . 5.000 4.009 3.868 4.292 . 0 0 "[ . 1 . 2]" 1
216 1 17 TYR QD 1 35 LEU H 5.500 . 6.000 4.683 4.130 4.936 . 0 0 "[ . 1 . 2]" 1
217 1 32 PHE HA 1 35 LEU H 3.000 . 3.500 3.508 3.456 3.535 0.035 18 0 "[ . 1 . 2]" 1
218 1 31 VAL HA 1 35 LEU H 4.500 . 5.000 4.499 4.070 4.699 . 0 0 "[ . 1 . 2]" 1
219 1 34 MET ME 1 35 LEU H 4.500 . 5.000 4.023 3.944 4.165 . 0 0 "[ . 1 . 2]" 1
220 1 35 LEU H 1 35 LEU QB 2.800 . 3.300 2.167 2.099 2.279 . 0 0 "[ . 1 . 2]" 1
221 1 35 LEU H 1 35 LEU HG 3.500 . 4.000 4.023 3.990 4.064 0.064 5 0 "[ . 1 . 2]" 1
222 1 35 LEU H 1 35 LEU MD2 3.500 . 4.000 2.096 1.998 2.252 . 0 0 "[ . 1 . 2]" 1
223 1 35 LEU H 1 36 LYS H 2.300 . 2.800 2.754 2.554 2.809 0.009 11 0 "[ . 1 . 2]" 1
224 1 33 ASN HA 1 36 LYS H 3.000 . 3.500 3.505 3.411 3.532 0.032 14 0 "[ . 1 . 2]" 1
225 1 32 PHE HA 1 36 LYS H 4.500 . 5.000 4.519 3.832 4.720 . 0 0 "[ . 1 . 2]" 1
226 1 36 LYS H 1 39 VAL HB 4.500 . 5.000 4.920 4.621 5.026 0.026 13 0 "[ . 1 . 2]" 1
227 1 35 LEU QB 1 36 LYS H 2.800 . 3.300 2.484 2.422 2.542 . 0 0 "[ . 1 . 2]" 1
228 1 36 LYS H 1 36 LYS QB 2.800 . 3.300 2.348 2.198 2.422 . 0 0 "[ . 1 . 2]" 1
229 1 36 LYS H 1 36 LYS QG 4.500 . 5.000 2.604 2.440 3.962 . 0 0 "[ . 1 . 2]" 1
230 1 36 LYS H 1 106 LEU MD1 5.000 . 5.500 4.181 3.796 4.595 . 0 0 "[ . 1 . 2]" 1
231 1 36 LYS H 1 106 LEU MD2 3.500 . 4.000 3.271 2.995 3.385 . 0 0 "[ . 1 . 2]" 1
232 1 35 LEU MD1 1 36 LYS H 5.000 . 5.500 4.490 4.409 4.575 . 0 0 "[ . 1 . 2]" 1
233 1 36 LYS H 1 36 LYS QD 5.000 . 5.500 4.267 4.210 4.442 . 0 0 "[ . 1 . 2]" 1
234 1 36 LYS H 1 37 LYS H 2.300 . 2.800 2.744 2.656 2.855 0.055 19 0 "[ . 1 . 2]" 1
235 1 37 LYS H 1 38 TYR H 2.300 . 2.800 2.583 2.419 2.794 . 0 0 "[ . 1 . 2]" 1
236 1 34 MET HA 1 37 LYS H 3.000 . 3.500 3.473 3.375 3.533 0.033 5 0 "[ . 1 . 2]" 1
237 1 33 ASN HA 1 37 LYS H 4.500 . 5.000 4.754 4.229 4.821 . 0 0 "[ . 1 . 2]" 1
238 1 36 LYS QE 1 37 LYS H 5.000 . 5.500 4.245 3.584 4.928 . 0 0 "[ . 1 . 2]" 1
239 1 36 LYS QB 1 37 LYS H 3.500 . 4.000 3.263 2.431 3.597 . 0 0 "[ . 1 . 2]" 1
240 1 36 LYS QG 1 37 LYS H 4.500 . 5.000 2.818 2.110 4.300 . 0 0 "[ . 1 . 2]" 1
241 1 38 TYR H 1 38 TYR QD 3.500 . 4.000 3.569 3.359 3.631 . 0 0 "[ . 1 . 2]" 1
242 1 34 MET HA 1 38 TYR H 4.500 . 5.000 4.221 3.895 4.592 . 0 0 "[ . 1 . 2]" 1
243 1 35 LEU HA 1 38 TYR H 3.000 . 3.500 3.393 3.303 3.453 . 0 0 "[ . 1 . 2]" 1
244 1 38 TYR H 1 38 TYR QB 2.800 . 3.300 2.059 2.048 2.080 . 0 0 "[ . 1 . 2]" 1
245 1 37 LYS QB 1 38 TYR H 2.800 . 3.300 2.552 2.289 2.975 . 0 0 "[ . 1 . 2]" 1
246 1 37 LYS QD 1 38 TYR H 4.500 . 5.000 4.188 3.004 4.472 . 0 0 "[ . 1 . 2]" 1
247 1 13 ALA MB 1 38 TYR H 3.500 . 4.000 2.897 2.517 3.290 . 0 0 "[ . 1 . 2]" 1
248 1 37 LYS QG 1 38 TYR H 3.000 . 3.500 3.030 2.244 3.172 . 0 0 "[ . 1 . 2]" 1
249 1 39 VAL H 1 40 ARG H 2.300 . 2.800 2.657 2.545 2.781 . 0 0 "[ . 1 . 2]" 1
250 1 38 TYR QD 1 39 VAL H 3.500 . 4.000 2.645 2.139 2.925 . 0 0 "[ . 1 . 2]" 1
251 1 36 LYS HA 1 39 VAL H 4.500 . 5.000 3.555 3.363 3.957 . 0 0 "[ . 1 . 2]" 1
252 1 38 TYR QB 1 39 VAL H 3.500 . 4.000 3.051 2.917 3.276 . 0 0 "[ . 1 . 2]" 1
253 1 39 VAL H 1 39 VAL HB 2.300 . 2.800 2.485 2.411 2.535 . 0 0 "[ . 1 . 2]" 1
254 1 39 VAL H 1 39 VAL MG2 2.800 . 3.300 2.286 2.182 2.455 . 0 0 "[ . 1 . 2]" 1
255 1 35 LEU MD1 1 39 VAL H . . 5.500 4.376 4.144 4.587 . 0 0 "[ . 1 . 2]" 1
256 1 39 VAL H 1 42 GLU QG 4.500 . 5.000 4.316 4.143 4.503 . 0 0 "[ . 1 . 2]" 1
257 1 13 ALA MB 1 39 VAL H 5.000 . 5.500 4.573 4.345 4.607 . 0 0 "[ . 1 . 2]" 1
258 1 40 ARG H 1 41 ALA H 2.300 . 2.800 2.683 2.611 2.765 . 0 0 "[ . 1 . 2]" 1
259 1 37 LYS HA 1 40 ARG H 3.000 . 3.500 3.456 3.149 3.537 0.037 20 0 "[ . 1 . 2]" 1
260 1 36 LYS HA 1 40 ARG H 4.500 . 5.000 3.900 3.627 4.341 . 0 0 "[ . 1 . 2]" 1
261 1 40 ARG H 1 40 ARG QD 5.000 . 5.500 4.069 2.206 4.631 . 0 0 "[ . 1 . 2]" 1
262 1 39 VAL HB 1 40 ARG H 2.300 . 2.800 2.453 2.274 2.635 . 0 0 "[ . 1 . 2]" 1
263 1 40 ARG H 1 40 ARG QB 2.300 . 2.800 2.087 2.040 2.287 . 0 0 "[ . 1 . 2]" 1
264 1 40 ARG H 1 40 ARG QG 3.500 . 4.000 3.285 2.614 3.601 . 0 0 "[ . 1 . 2]" 1
265 1 39 VAL MG1 1 40 ARG H 3.500 . 4.000 3.310 3.225 3.343 . 0 0 "[ . 1 . 2]" 1
266 1 39 VAL HA 1 41 ALA H 4.500 . 5.000 3.898 3.842 3.945 . 0 0 "[ . 1 . 2]" 1
267 1 41 ALA H 1 41 ALA MB 2.800 . 3.300 2.210 2.076 2.258 . 0 0 "[ . 1 . 2]" 1
268 1 39 VAL MG1 1 41 ALA H 5.000 . 5.500 4.591 4.584 4.596 . 0 0 "[ . 1 . 2]" 1
269 1 41 ALA H 1 42 GLU H 2.300 . 2.800 2.541 2.493 2.587 . 0 0 "[ . 1 . 2]" 1
270 1 41 ALA H 1 43 GLN H 4.500 . 5.000 4.059 3.768 4.243 . 0 0 "[ . 1 . 2]" 1
271 1 39 VAL H 1 41 ALA H 4.500 . 5.000 3.844 3.716 3.985 . 0 0 "[ . 1 . 2]" 1
272 1 39 VAL HA 1 42 GLU H 3.000 . 3.500 3.307 3.206 3.359 . 0 0 "[ . 1 . 2]" 1
273 1 42 GLU H 1 42 GLU QB 2.800 . 3.300 2.650 2.394 2.722 . 0 0 "[ . 1 . 2]" 1
274 1 41 ALA MB 1 42 GLU H 2.800 . 3.300 2.545 2.320 2.723 . 0 0 "[ . 1 . 2]" 1
275 1 42 GLU H 1 43 GLN H 2.300 . 2.800 2.668 2.596 2.768 . 0 0 "[ . 1 . 2]" 1
276 1 43 GLN H 1 43 GLN QG 3.000 . 3.500 2.374 1.996 3.062 . 0 0 "[ . 1 . 2]" 1
277 1 42 GLU QB 1 43 GLN H 3.500 . 4.000 2.675 2.348 3.574 . 0 0 "[ . 1 . 2]" 1
278 1 42 GLU QG 1 43 GLN H 3.500 . 4.000 3.281 2.044 3.587 . 0 0 "[ . 1 . 2]" 1
279 1 39 VAL MG1 1 43 GLN H 5.000 . 5.500 3.896 3.648 4.196 . 0 0 "[ . 1 . 2]" 1
280 1 54 GLU H 1 54 GLU QG 3.500 . 3.500 2.584 2.162 3.130 . 0 0 "[ . 1 . 2]" 1
281 1 39 VAL HA 1 43 GLN H 4.500 . 5.000 4.453 4.208 4.670 . 0 0 "[ . 1 . 2]" 1
282 1 44 LYS H 1 45 ASP H 2.300 . 2.800 2.588 2.426 2.695 . 0 0 "[ . 1 . 2]" 1
283 1 43 GLN H 1 44 LYS H 2.300 . 2.800 2.718 2.477 2.804 0.004 18 0 "[ . 1 . 2]" 1
284 1 42 GLU H 1 44 LYS H 4.500 . 5.000 4.151 3.974 4.572 . 0 0 "[ . 1 . 2]" 1
285 1 43 GLN QG 1 44 LYS H 4.500 . 5.000 4.126 3.786 4.422 . 0 0 "[ . 1 . 2]" 1
286 1 44 LYS H 1 44 LYS QE 5.000 . 5.500 4.680 3.998 4.906 . 0 0 "[ . 1 . 2]" 1
287 1 44 LYS H 1 44 LYS QB 2.800 . 3.300 2.351 2.175 2.947 . 0 0 "[ . 1 . 2]" 1
288 1 43 GLN QB 1 44 LYS H 3.500 . 4.000 2.598 2.338 2.748 . 0 0 "[ . 1 . 2]" 1
289 1 44 LYS H 1 44 LYS QD 3.500 . 4.000 3.322 2.902 3.630 . 0 0 "[ . 1 . 2]" 1
290 1 44 LYS H 1 44 LYS QG 3.000 . 3.500 2.511 1.743 2.989 0.057 10 0 "[ . 1 . 2]" 1
291 1 45 ASP H 1 45 ASP QB 2.300 . 2.800 2.177 2.052 2.260 . 0 0 "[ . 1 . 2]" 1
292 1 44 LYS QB 1 45 ASP H 3.000 . 3.500 2.775 2.518 3.123 . 0 0 "[ . 1 . 2]" 1
293 1 44 LYS QD 1 45 ASP H 5.000 . 5.500 4.731 4.483 4.920 . 0 0 "[ . 1 . 2]" 1
294 1 44 LYS QG 1 45 ASP H 5.000 . 5.500 4.217 2.943 4.493 . 0 0 "[ . 1 . 2]" 1
295 1 6 LEU MD2 1 45 ASP H 5.000 . 5.500 3.785 2.815 4.583 . 0 0 "[ . 1 . 2]" 1
296 1 46 ARG H 1 47 GLN H 2.300 . 2.800 2.744 2.632 2.809 0.009 10 0 "[ . 1 . 2]" 1
297 1 45 ASP H 1 46 ARG H 2.300 . 2.800 2.587 2.410 2.700 . 0 0 "[ . 1 . 2]" 1
298 1 44 LYS H 1 46 ARG H 4.500 . 5.000 4.209 3.990 4.383 . 0 0 "[ . 1 . 2]" 1
299 1 43 GLN HA 1 46 ARG H 3.000 . 3.500 3.414 3.291 3.510 0.010 11 0 "[ . 1 . 2]" 1
300 1 45 ASP QB 1 46 ARG H 3.000 . 3.500 2.571 2.405 2.781 . 0 0 "[ . 1 . 2]" 1
301 1 46 ARG H 1 46 ARG QB 3.000 . 3.500 2.214 2.073 2.970 . 0 0 "[ . 1 . 2]" 1
302 1 46 ARG H 1 46 ARG QG 4.500 . 5.000 3.630 1.792 3.968 0.008 11 0 "[ . 1 . 2]" 1
303 1 46 ARG H 1 78 ILE QG 3.500 . 4.000 2.477 2.345 2.716 . 0 0 "[ . 1 . 2]" 1
304 1 46 ARG H 1 78 ILE MD 3.500 . 4.000 2.814 2.592 3.220 . 0 0 "[ . 1 . 2]" 1
305 1 45 ASP H 1 47 GLN H 4.500 . 5.000 4.190 3.918 4.323 . 0 0 "[ . 1 . 2]" 1
306 1 46 ARG QD 1 47 GLN H 5.000 . 5.500 4.459 3.892 4.904 . 0 0 "[ . 1 . 2]" 1
307 1 47 GLN H 1 47 GLN QG 3.000 . 3.500 2.277 1.908 2.946 . 0 0 "[ . 1 . 2]" 1
308 1 47 GLN H 1 47 GLN QB 2.800 . 3.300 2.429 2.158 2.698 . 0 0 "[ . 1 . 2]" 1
309 1 46 ARG QB 1 47 GLN H 3.000 . 3.500 2.458 2.218 3.059 . 0 0 "[ . 1 . 2]" 1
310 1 46 ARG QG 1 47 GLN H 4.500 . 5.000 3.947 2.745 4.280 . 0 0 "[ . 1 . 2]" 1
311 1 47 GLN H 1 78 ILE QG 5.000 . 5.500 4.907 4.857 4.920 . 0 0 "[ . 1 . 2]" 1
312 1 47 GLN H 1 48 HIS H 2.300 . 2.800 2.593 2.504 2.686 . 0 0 "[ . 1 . 2]" 1
313 1 45 ASP HA 1 48 HIS H 3.000 . 3.500 3.341 3.226 3.450 . 0 0 "[ . 1 . 2]" 1
314 1 48 HIS H 1 48 HIS QB 2.800 . 3.300 2.116 2.053 2.237 . 0 0 "[ . 1 . 2]" 1
315 1 47 GLN QB 1 48 HIS H 3.500 . 4.000 3.080 2.760 3.566 . 0 0 "[ . 1 . 2]" 1
316 1 47 GLN QG 1 48 HIS H 4.500 . 5.000 3.567 2.202 4.436 . 0 0 "[ . 1 . 2]" 1
317 1 48 HIS H 1 51 LYS QD 5.000 . 5.500 4.316 3.884 4.907 . 0 0 "[ . 1 . 2]" 1
318 1 48 HIS H 1 78 ILE MD 5.000 . 5.500 4.573 4.358 4.612 . 0 0 "[ . 1 . 2]" 1
319 1 49 THR H 1 50 LEU H 2.300 . 2.800 2.695 2.539 2.802 0.002 10 0 "[ . 1 . 2]" 1
320 1 47 GLN H 1 49 THR H 4.500 . 5.000 4.139 4.023 4.266 . 0 0 "[ . 1 . 2]" 1
321 1 49 THR H 1 49 THR HB 2.300 . 2.800 2.547 2.412 2.800 . 0 0 "[ . 1 . 2]" 1
322 1 48 HIS QB 1 49 THR H 2.800 . 3.300 2.790 2.685 2.866 . 0 0 "[ . 1 . 2]" 1
323 1 49 THR H 1 49 THR MG 4.500 . 5.000 3.740 3.687 3.754 . 0 0 "[ . 1 . 2]" 1
324 1 49 THR H 1 78 ILE MD 5.000 . 5.500 3.915 3.464 4.131 . 0 0 "[ . 1 . 2]" 1
325 1 84 GLN H 1 85 SER H 2.300 . 2.800 2.626 2.538 2.741 . 0 0 "[ . 1 . 2]" 1
326 1 82 MET H 1 84 GLN H 4.500 . 5.000 4.048 3.999 4.119 . 0 0 "[ . 1 . 2]" 1
327 1 49 THR HB 1 50 LEU H 3.000 . 3.500 2.537 2.289 2.849 . 0 0 "[ . 1 . 2]" 1
328 1 80 GLU HA 1 84 GLN H 4.500 . 5.000 4.922 4.845 4.963 . 0 0 "[ . 1 . 2]" 1
329 1 83 ASN QB 1 84 GLN H 2.800 . 3.300 2.804 2.655 2.880 . 0 0 "[ . 1 . 2]" 1
330 1 84 GLN H 1 84 GLN QG 3.000 . 3.500 2.652 2.123 3.123 . 0 0 "[ . 1 . 2]" 1
331 1 84 GLN H 1 84 GLN QB 2.800 . 3.300 2.287 2.090 2.494 . 0 0 "[ . 1 . 2]" 1
332 1 81 ARG QB 1 84 GLN H 4.500 . 5.000 4.470 4.460 4.483 . 0 0 "[ . 1 . 2]" 1
333 1 50 LEU H 1 50 LEU QB 2.800 . 3.300 2.227 2.026 2.323 . 0 0 "[ . 1 . 2]" 1
334 1 50 LEU H 1 50 LEU HG 3.000 . 3.500 3.534 3.513 3.550 0.050 4 0 "[ . 1 . 2]" 1
335 1 49 THR MG 1 50 LEU H 5.000 . 5.500 3.502 3.168 3.897 . 0 0 "[ . 1 . 2]" 1
336 1 53 PHE H 1 54 GLU H 2.300 . 2.800 2.794 2.346 2.886 0.086 6 0 "[ . 1 . 2]" 1
337 1 51 LYS H 1 53 PHE H 4.500 . 5.000 4.185 3.989 4.386 . 0 0 "[ . 1 . 2]" 1
338 1 53 PHE H 1 53 PHE QD 3.500 . 4.000 3.596 3.556 3.642 . 0 0 "[ . 1 . 2]" 1
339 1 49 THR HA 1 53 PHE H 4.500 . 5.000 4.471 3.965 4.701 . 0 0 "[ . 1 . 2]" 1
340 1 53 PHE H 1 53 PHE QB 2.300 . 2.800 2.040 2.019 2.122 . 0 0 "[ . 1 . 2]" 1
341 1 52 HIS QB 1 53 PHE H 3.500 . 4.000 2.701 2.456 2.942 . 0 0 "[ . 1 . 2]" 1
342 1 54 GLU H 1 55 HIS H 2.300 . 2.800 2.516 2.402 2.684 . 0 0 "[ . 1 . 2]" 1
343 1 53 PHE QD 1 54 GLU H 5.500 . 6.000 4.312 2.422 4.499 . 0 0 "[ . 1 . 2]" 1
344 1 53 PHE QB 1 54 GLU H 3.000 . 3.500 2.460 2.259 2.840 . 0 0 "[ . 1 . 2]" 1
345 1 54 GLU H 1 54 GLU QB 2.300 . 2.800 2.332 2.082 2.493 . 0 0 "[ . 1 . 2]" 1
346 1 55 HIS H 1 56 VAL H 2.300 . 2.800 2.814 2.805 2.829 0.029 17 0 "[ . 1 . 2]" 1
347 1 105 GLU HA 1 108 GLN H 3.000 . 3.500 3.515 3.457 3.553 0.053 20 0 "[ . 1 . 2]" 1
348 1 55 HIS H 1 55 HIS QB 2.300 . 2.800 2.162 2.058 2.261 . 0 0 "[ . 1 . 2]" 1
349 1 108 GLN H 1 108 GLN QG 2.800 . 3.300 1.886 1.812 1.939 . 0 0 "[ . 1 . 2]" 1
350 1 54 GLU QG 1 55 HIS H 4.500 . 5.000 3.981 2.078 4.392 . 0 0 "[ . 1 . 2]" 1
351 1 108 GLN H 1 108 GLN QB 2.800 . 3.300 2.745 2.700 2.826 . 0 0 "[ . 1 . 2]" 1
352 1 54 GLU QB 1 55 HIS H 3.000 . 3.500 2.762 2.604 3.143 . 0 0 "[ . 1 . 2]" 1
353 1 107 LEU QB 1 108 GLN H 3.000 . 3.500 3.103 3.005 3.136 . 0 0 "[ . 1 . 2]" 1
354 1 56 VAL H 1 57 ARG H 2.300 . 2.800 2.636 2.589 2.670 . 0 0 "[ . 1 . 2]" 1
355 1 54 GLU H 1 56 VAL H 4.500 . 5.000 4.455 4.199 4.687 . 0 0 "[ . 1 . 2]" 1
356 1 55 HIS QB 1 56 VAL H 3.000 . 3.500 2.262 2.099 2.511 . 0 0 "[ . 1 . 2]" 1
357 1 52 HIS HA 1 56 VAL H 4.500 . 5.000 3.319 2.878 3.809 . 0 0 "[ . 1 . 2]" 1
358 1 56 VAL H 1 56 VAL HB 2.300 . 2.800 2.479 2.383 2.556 . 0 0 "[ . 1 . 2]" 1
359 1 56 VAL H 1 56 VAL MG1 3.500 . 4.000 2.342 2.064 2.488 . 0 0 "[ . 1 . 2]" 1
360 1 57 ARG H 1 58 MET H 2.300 . 2.800 2.470 2.409 2.562 . 0 0 "[ . 1 . 2]" 1
361 1 57 ARG H 1 59 VAL H 4.500 . 5.000 4.014 3.869 4.321 . 0 0 "[ . 1 . 2]" 1
362 1 55 HIS H 1 57 ARG H 4.500 . 5.000 3.757 3.607 3.879 . 0 0 "[ . 1 . 2]" 1
363 1 53 PHE HA 1 57 ARG H 4.500 . 5.000 4.433 4.240 4.592 . 0 0 "[ . 1 . 2]" 1
364 1 54 GLU HA 1 57 ARG H 3.000 . 3.500 3.476 3.354 3.519 0.019 8 0 "[ . 1 . 2]" 1
365 1 55 HIS HA 1 57 ARG H 4.500 . 5.000 4.061 3.959 4.225 . 0 0 "[ . 1 . 2]" 1
366 1 57 ARG H 1 57 ARG QG 4.500 . 5.000 3.858 3.012 4.016 . 0 0 "[ . 1 . 2]" 1
367 1 56 VAL MG2 1 57 ARG H 5.000 . 5.500 3.937 3.871 3.999 . 0 0 "[ . 1 . 2]" 1
368 1 56 VAL MG1 1 57 ARG H 3.500 . 4.000 2.103 1.970 2.459 . 0 0 "[ . 1 . 2]" 1
369 1 58 MET H 1 60 ASP H 4.500 . 5.000 3.880 3.749 4.045 . 0 0 "[ . 1 . 2]" 1
370 1 56 VAL H 1 58 MET H 4.500 . 5.000 4.146 4.042 4.234 . 0 0 "[ . 1 . 2]" 1
371 1 58 MET H 1 59 VAL H 2.300 . 2.800 2.341 2.299 2.443 . 0 0 "[ . 1 . 2]" 1
372 1 55 HIS HA 1 58 MET H 3.000 . 3.500 3.516 3.504 3.544 0.044 14 0 "[ . 1 . 2]" 1
373 1 54 GLU HA 1 58 MET H 4.500 . 5.000 4.494 4.209 4.774 . 0 0 "[ . 1 . 2]" 1
374 1 58 MET H 1 58 MET QG 3.000 . 3.500 2.765 2.361 2.929 . 0 0 "[ . 1 . 2]" 1
375 1 58 MET H 1 58 MET QB 2.300 . 2.800 2.297 2.184 2.496 . 0 0 "[ . 1 . 2]" 1
376 1 57 ARG QB 1 58 MET H 3.000 . 3.500 2.964 2.927 3.006 . 0 0 "[ . 1 . 2]" 1
377 1 57 ARG QG 1 58 MET H 4.500 . 5.000 4.153 3.893 4.495 . 0 0 "[ . 1 . 2]" 1
378 1 59 VAL H 1 60 ASP H 2.300 . 2.800 2.194 2.085 2.574 . 0 0 "[ . 1 . 2]" 1
379 1 57 ARG HA 1 59 VAL H 4.500 . 5.000 4.221 3.976 4.877 . 0 0 "[ . 1 . 2]" 1
380 1 58 MET QB 1 59 VAL H 3.000 . 3.500 3.046 2.888 3.150 . 0 0 "[ . 1 . 2]" 1
381 1 59 VAL H 1 59 VAL MG2 2.800 . 3.300 1.881 1.746 1.923 0.054 14 0 "[ . 1 . 2]" 1
382 1 58 MET QG 1 59 VAL H 4.500 . 5.000 3.873 1.928 4.454 . 0 0 "[ . 1 . 2]" 1
383 1 56 VAL HA 1 59 VAL H 3.000 . 3.500 3.339 3.192 3.434 . 0 0 "[ . 1 . 2]" 1
384 1 57 ARG H 1 60 ASP H 4.500 . 5.000 4.505 4.417 4.584 . 0 0 "[ . 1 . 2]" 1
385 1 60 ASP H 1 61 PRO QD 3.500 . 4.000 3.093 2.937 3.258 . 0 0 "[ . 1 . 2]" 1
386 1 57 ARG HA 1 60 ASP H 5.500 . 6.000 3.928 3.729 4.188 . 0 0 "[ . 1 . 2]" 1
387 1 60 ASP H 1 60 ASP QB 3.000 . 3.500 2.607 2.412 2.780 . 0 0 "[ . 1 . 2]" 1
388 1 59 VAL MG2 1 60 ASP H 2.800 . 3.300 1.913 1.877 1.960 . 0 0 "[ . 1 . 2]" 1
389 1 56 VAL HA 1 60 ASP H 3.000 . 3.500 2.992 2.794 3.171 . 0 0 "[ . 1 . 2]" 1
390 1 60 ASP H 1 61 PRO QG 5.000 . 5.500 4.460 4.257 4.655 . 0 0 "[ . 1 . 2]" 1
391 1 62 LYS H 1 63 LYS H 2.300 . 2.800 2.810 2.793 2.825 0.025 1 0 "[ . 1 . 2]" 1
392 1 61 PRO QD 1 62 LYS H 3.500 . 4.000 2.599 2.451 2.812 . 0 0 "[ . 1 . 2]" 1
393 1 60 ASP HA 1 62 LYS H 4.500 . 5.000 3.649 3.264 4.002 . 0 0 "[ . 1 . 2]" 1
394 1 61 PRO QB 1 62 LYS H 5.000 . 5.500 2.526 2.166 2.977 . 0 0 "[ . 1 . 2]" 1
395 1 61 PRO QG 1 62 LYS H 5.000 . 5.500 3.685 3.504 3.905 . 0 0 "[ . 1 . 2]" 1
396 1 62 LYS H 1 62 LYS QB 2.300 . 2.800 2.336 2.153 2.502 . 0 0 "[ . 1 . 2]" 1
397 1 62 LYS H 1 62 LYS QG 3.000 . 3.500 2.509 2.039 3.102 . 0 0 "[ . 1 . 2]" 1
398 1 63 LYS H 1 64 ALA H 2.300 . 2.800 2.556 2.370 2.726 . 0 0 "[ . 1 . 2]" 1
399 1 61 PRO HA 1 63 LYS H 4.500 . 5.000 4.859 4.747 4.910 . 0 0 "[ . 1 . 2]" 1
400 1 37 LYS HA 1 41 ALA H 4.500 . 5.000 4.506 4.218 4.738 . 0 0 "[ . 1 . 2]" 1
401 1 60 ASP QB 1 63 LYS H 4.500 . 5.000 3.095 2.809 3.569 . 0 0 "[ . 1 . 2]" 1
402 1 63 LYS H 1 63 LYS QB 2.800 . 3.300 2.231 2.043 2.633 . 0 0 "[ . 1 . 2]" 1
403 1 63 LYS H 1 63 LYS QG 3.500 . 4.000 2.975 1.984 3.587 . 0 0 "[ . 1 . 2]" 1
404 1 56 VAL MG2 1 63 LYS H 5.000 . 5.500 4.535 4.350 4.592 . 0 0 "[ . 1 . 2]" 1
405 1 64 ALA H 1 65 ALA H 2.300 . 2.800 2.748 2.684 2.805 0.005 1 0 "[ . 1 . 2]" 1
406 1 62 LYS H 1 64 ALA H 4.500 . 5.000 3.862 3.682 4.097 . 0 0 "[ . 1 . 2]" 1
407 1 57 ARG HA 1 64 ALA H 4.500 . 5.000 4.339 3.899 4.953 . 0 0 "[ . 1 . 2]" 1
408 1 63 LYS QB 1 64 ALA H 3.500 . 4.000 3.178 2.660 3.575 . 0 0 "[ . 1 . 2]" 1
409 1 64 ALA H 1 64 ALA MB 2.800 . 3.300 2.218 2.179 2.232 . 0 0 "[ . 1 . 2]" 1
410 1 56 VAL MG2 1 64 ALA H 3.500 . 4.000 3.066 2.921 3.335 . 0 0 "[ . 1 . 2]" 1
411 1 63 LYS QG 1 64 ALA H 5.000 . 5.500 3.257 2.091 4.595 . 0 0 "[ . 1 . 2]" 1
412 1 62 LYS H 1 65 ALA H 4.500 . 5.000 5.004 4.907 5.031 0.031 10 0 "[ . 1 . 2]" 1
413 1 65 ALA H 1 67 ILE H 4.500 . 5.000 3.950 3.861 4.084 . 0 0 "[ . 1 . 2]" 1
414 1 65 ALA H 1 68 ARG H 4.500 . 5.000 4.845 4.443 5.009 0.009 10 0 "[ . 1 . 2]" 1
415 1 63 LYS H 1 65 ALA H 4.500 . 5.000 4.246 4.135 4.363 . 0 0 "[ . 1 . 2]" 1
416 1 65 ALA H 1 66 GLN QG 5.000 . 5.500 3.762 3.479 4.927 . 0 0 "[ . 1 . 2]" 1
417 1 65 ALA H 1 65 ALA MB 2.800 . 3.300 2.244 2.167 2.264 . 0 0 "[ . 1 . 2]" 1
418 1 64 ALA MB 1 65 ALA H 2.800 . 3.300 2.672 2.560 2.759 . 0 0 "[ . 1 . 2]" 1
419 1 56 VAL MG2 1 65 ALA H 6.000 . 6.500 4.977 4.724 5.343 . 0 0 "[ . 1 . 2]" 1
420 1 64 ALA H 1 66 GLN H 4.500 . 5.000 4.068 3.988 4.134 . 0 0 "[ . 1 . 2]" 1
421 1 66 GLN H 1 67 ILE H 2.300 . 2.800 2.441 2.398 2.483 . 0 0 "[ . 1 . 2]" 1
422 1 65 ALA H 1 66 GLN H 2.300 . 2.800 2.449 2.401 2.499 . 0 0 "[ . 1 . 2]" 1
423 1 63 LYS HA 1 66 GLN H 3.000 . 3.500 3.083 2.973 3.223 . 0 0 "[ . 1 . 2]" 1
424 1 64 ALA HA 1 66 GLN H 4.500 . 5.000 4.226 4.125 4.299 . 0 0 "[ . 1 . 2]" 1
425 1 66 GLN H 1 66 GLN QG 3.000 . 3.500 2.098 1.862 3.111 . 0 0 "[ . 1 . 2]" 1
426 1 66 GLN H 1 66 GLN QB 2.800 . 3.300 2.580 2.068 2.708 . 0 0 "[ . 1 . 2]" 1
427 1 65 ALA MB 1 66 GLN H 2.800 . 3.300 2.756 2.721 2.768 . 0 0 "[ . 1 . 2]" 1
428 1 66 GLN H 1 67 ILE MG 5.000 . 5.500 3.836 3.676 4.093 . 0 0 "[ . 1 . 2]" 1
429 1 64 ALA MB 1 66 GLN H 5.000 . 5.500 4.437 4.347 4.509 . 0 0 "[ . 1 . 2]" 1
430 1 64 ALA H 1 67 ILE H 4.500 . 5.000 4.779 4.617 4.880 . 0 0 "[ . 1 . 2]" 1
431 1 66 GLN QE 1 67 ILE H 5.000 . 5.500 4.645 4.046 4.905 . 0 0 "[ . 1 . 2]" 1
432 1 64 ALA HA 1 67 ILE H 3.000 . 3.500 3.483 3.421 3.513 0.013 19 0 "[ . 1 . 2]" 1
433 1 63 LYS HA 1 67 ILE H 4.500 . 5.000 4.240 3.949 4.406 . 0 0 "[ . 1 . 2]" 1
434 1 66 GLN QB 1 67 ILE H 3.000 . 3.500 2.908 2.737 3.185 . 0 0 "[ . 1 . 2]" 1
435 1 67 ILE H 1 67 ILE QG 3.000 . 3.500 2.113 1.999 2.278 . 0 0 "[ . 1 . 2]" 1
436 1 67 ILE H 1 68 ARG H 2.300 . 2.800 2.420 2.251 2.575 . 0 0 "[ . 1 . 2]" 1
437 1 53 PHE QE 1 68 ARG H 4.000 . 4.500 3.743 3.235 4.047 . 0 0 "[ . 1 . 2]" 1
438 1 66 GLN H 1 68 ARG H 4.500 . 5.000 3.841 3.683 3.949 . 0 0 "[ . 1 . 2]" 1
439 1 53 PHE QD 1 68 ARG H 5.500 . 6.000 5.345 4.440 5.426 . 0 0 "[ . 1 . 2]" 1
440 1 66 GLN HA 1 68 ARG H 4.500 . 5.000 3.916 3.773 4.138 . 0 0 "[ . 1 . 2]" 1
441 1 64 ALA HA 1 68 ARG H 4.500 . 5.000 4.610 3.987 4.939 . 0 0 "[ . 1 . 2]" 1
442 1 68 ARG H 1 68 ARG QD 3.500 . 4.000 3.455 3.084 3.598 . 0 0 "[ . 1 . 2]" 1
443 1 67 ILE HB 1 68 ARG H 4.500 . 5.000 4.209 4.045 4.295 . 0 0 "[ . 1 . 2]" 1
444 1 68 ARG H 1 68 ARG QB 2.300 . 2.800 2.112 2.047 2.279 . 0 0 "[ . 1 . 2]" 1
445 1 67 ILE QG 1 68 ARG H 3.500 . 4.000 2.686 2.482 2.834 . 0 0 "[ . 1 . 2]" 1
446 1 68 ARG H 1 68 ARG QG 4.500 . 5.000 3.494 2.610 3.986 . 0 0 "[ . 1 . 2]" 1
447 1 68 ARG H 1 69 SER H 3.000 . 3.500 3.025 2.949 3.092 . 0 0 "[ . 1 . 2]" 1
448 1 69 SER H 1 71 VAL H 4.500 . 5.000 4.217 4.094 4.386 . 0 0 "[ . 1 . 2]" 1
449 1 69 SER H 1 69 SER QB 2.800 . 3.300 2.255 2.046 2.665 . 0 0 "[ . 1 . 2]" 1
450 1 68 ARG QB 1 69 SER H 3.000 . 3.500 2.506 2.373 2.640 . 0 0 "[ . 1 . 2]" 1
451 1 68 ARG QG 1 69 SER H 5.000 . 5.500 4.166 3.185 4.387 . 0 0 "[ . 1 . 2]" 1
452 1 69 SER H 1 70 GLN H 3.000 . 3.500 2.572 2.394 2.727 . 0 0 "[ . 1 . 2]" 1
453 1 70 GLN H 1 71 VAL H 2.300 . 2.800 2.528 2.316 2.613 . 0 0 "[ . 1 . 2]" 1
454 1 70 GLN H 1 72 MET H 4.500 . 5.000 3.788 3.630 3.889 . 0 0 "[ . 1 . 2]" 1
455 1 70 GLN H 1 73 THR H 4.500 . 5.000 4.828 4.596 5.019 0.019 9 0 "[ . 1 . 2]" 1
456 1 69 SER QB 1 70 GLN H 2.800 . 3.300 2.796 2.731 2.890 . 0 0 "[ . 1 . 2]" 1
457 1 70 GLN H 1 70 GLN QG 3.500 . 4.000 3.580 3.496 3.595 . 0 0 "[ . 1 . 2]" 1
458 1 70 GLN H 1 70 GLN QB 2.800 . 3.300 2.070 2.049 2.105 . 0 0 "[ . 1 . 2]" 1
459 1 68 ARG QB 1 70 GLN H 4.500 . 5.000 4.472 4.443 4.502 . 0 0 "[ . 1 . 2]" 1
460 1 70 GLN H 1 71 VAL MG2 5.000 . 5.500 3.925 3.741 4.149 . 0 0 "[ . 1 . 2]" 1
461 1 71 VAL H 1 72 MET H 2.300 . 2.800 2.592 2.492 2.661 . 0 0 "[ . 1 . 2]" 1
462 1 71 VAL H 1 73 THR H 4.500 . 5.000 4.419 4.148 4.574 . 0 0 "[ . 1 . 2]" 1
463 1 69 SER QB 1 71 VAL H 5.000 . 5.500 4.877 4.713 4.929 . 0 0 "[ . 1 . 2]" 1
464 1 70 GLN QG 1 71 VAL H 5.000 . 5.500 2.605 2.373 2.892 . 0 0 "[ . 1 . 2]" 1
465 1 70 GLN QB 1 71 VAL H 2.800 . 3.300 2.859 2.765 2.946 . 0 0 "[ . 1 . 2]" 1
466 1 67 ILE HB 1 71 VAL H 4.000 . 4.500 3.543 3.099 4.306 . 0 0 "[ . 1 . 2]" 1
467 1 71 VAL H 1 71 VAL HB 2.300 . 2.800 2.610 2.502 2.749 . 0 0 "[ . 1 . 2]" 1
468 1 71 VAL H 1 71 VAL MG2 2.800 . 3.300 2.085 1.956 2.274 . 0 0 "[ . 1 . 2]" 1
469 1 69 SER QB 1 72 MET H 5.000 . 5.500 4.915 4.881 4.942 . 0 0 "[ . 1 . 2]" 1
470 1 72 MET H 1 72 MET QG 2.800 . 3.300 2.724 2.274 2.949 . 0 0 "[ . 1 . 2]" 1
471 1 72 MET H 1 72 MET QB 2.800 . 3.300 2.230 2.143 2.453 . 0 0 "[ . 1 . 2]" 1
472 1 71 VAL HB 1 72 MET H 2.300 . 2.800 2.803 2.754 2.830 0.030 14 0 "[ . 1 . 2]" 1
473 1 71 VAL MG2 1 72 MET H 5.000 . 5.500 3.807 3.693 3.915 . 0 0 "[ . 1 . 2]" 1
474 1 72 MET H 1 73 THR H 2.300 . 2.800 2.722 2.640 2.792 . 0 0 "[ . 1 . 2]" 1
475 1 73 THR H 1 73 THR HB 2.300 . 2.800 2.428 2.228 2.483 . 0 0 "[ . 1 . 2]" 1
476 1 70 GLN HA 1 73 THR H 3.000 . 3.500 3.518 3.496 3.546 0.046 2 0 "[ . 1 . 2]" 1
477 1 72 MET QG 1 73 THR H 4.500 . 5.000 4.200 3.882 4.367 . 0 0 "[ . 1 . 2]" 1
478 1 73 THR H 1 73 THR MG 3.500 . 4.000 2.421 2.286 2.777 . 0 0 "[ . 1 . 2]" 1
479 1 72 MET H 1 74 HIS H 4.500 . 5.000 3.812 3.705 3.922 . 0 0 "[ . 1 . 2]" 1
480 1 74 HIS H 1 75 LEU H 2.300 . 2.800 2.710 2.611 2.800 0.000 20 0 "[ . 1 . 2]" 1
481 1 75 LEU H 1 76 ARG H 2.300 . 2.800 2.667 2.549 2.757 . 0 0 "[ . 1 . 2]" 1
482 1 74 HIS HD2 1 75 LEU H 5.500 . 6.000 5.277 4.124 6.001 0.001 18 0 "[ . 1 . 2]" 1
483 1 72 MET HA 1 75 LEU H 3.000 . 3.500 3.531 3.423 3.554 0.054 19 0 "[ . 1 . 2]" 1
484 1 71 VAL HA 1 75 LEU H 4.500 . 5.000 4.682 4.480 4.804 . 0 0 "[ . 1 . 2]" 1
485 1 74 HIS QB 1 75 LEU H 3.000 . 3.500 2.585 2.435 2.741 . 0 0 "[ . 1 . 2]" 1
486 1 76 ARG H 1 78 ILE H 4.500 . 5.000 4.149 4.046 4.230 . 0 0 "[ . 1 . 2]" 1
487 1 74 HIS H 1 76 ARG H 4.500 . 5.000 4.190 4.015 4.427 . 0 0 "[ . 1 . 2]" 1
488 1 76 ARG H 1 76 ARG QD 3.500 . 4.000 2.967 2.318 3.588 . 0 0 "[ . 1 . 2]" 1
489 1 74 HIS HA 1 76 ARG H 4.500 . 5.000 4.609 4.422 4.889 . 0 0 "[ . 1 . 2]" 1
490 1 76 ARG H 1 76 ARG QB 2.800 . 3.300 2.643 2.381 2.752 . 0 0 "[ . 1 . 2]" 1
491 1 76 ARG H 1 76 ARG QG 3.000 . 3.500 1.979 1.740 2.404 0.060 15 0 "[ . 1 . 2]" 1
492 1 75 LEU MD1 1 76 ARG H 3.500 . 4.000 3.273 2.868 3.359 . 0 0 "[ . 1 . 2]" 1
493 1 74 HIS HA 1 78 ILE H 4.500 . 5.000 4.430 4.152 4.617 . 0 0 "[ . 1 . 2]" 1
494 1 76 ARG HA 1 78 ILE H 4.500 . 5.000 4.150 4.029 4.223 . 0 0 "[ . 1 . 2]" 1
495 1 75 LEU HA 1 78 ILE H 3.000 . 3.500 3.485 3.432 3.519 0.019 3 0 "[ . 1 . 2]" 1
496 1 77 VAL HB 1 78 ILE H 3.000 . 3.500 2.818 2.721 2.934 . 0 0 "[ . 1 . 2]" 1
497 1 78 ILE H 1 78 ILE HB 2.300 . 2.800 2.196 2.117 2.266 . 0 0 "[ . 1 . 2]" 1
498 1 78 ILE H 1 78 ILE QG 3.500 . 4.000 3.296 3.188 3.519 . 0 0 "[ . 1 . 2]" 1
499 1 77 VAL MG2 1 78 ILE H 5.000 . 5.500 4.053 3.987 4.148 . 0 0 "[ . 1 . 2]" 1
500 1 77 VAL MG1 1 78 ILE H 3.500 . 4.000 3.232 3.031 3.335 . 0 0 "[ . 1 . 2]" 1
501 1 78 ILE H 1 78 ILE MD 3.500 . 4.000 2.747 2.548 2.858 . 0 0 "[ . 1 . 2]" 1
502 1 79 TYR H 1 80 GLU H 2.300 . 2.800 2.517 2.429 2.578 . 0 0 "[ . 1 . 2]" 1
503 1 104 ASP H 1 105 GLU H 2.300 . 2.800 2.688 2.639 2.772 . 0 0 "[ . 1 . 2]" 1
504 1 103 VAL H 1 105 GLU H 4.500 . 5.000 3.888 3.768 4.080 . 0 0 "[ . 1 . 2]" 1
505 1 105 GLU H 1 107 LEU H 4.500 . 5.000 4.182 4.031 4.307 . 0 0 "[ . 1 . 2]" 1
506 1 79 TYR H 1 79 TYR QD 5.000 . 5.500 3.852 3.371 4.115 . 0 0 "[ . 1 . 2]" 1
507 1 79 TYR H 1 79 TYR QB 2.300 . 2.800 2.155 2.076 2.236 . 0 0 "[ . 1 . 2]" 1
508 1 103 VAL HA 1 105 GLU H 4.500 . 5.000 4.181 3.986 4.435 . 0 0 "[ . 1 . 2]" 1
509 1 104 ASP QB 1 105 GLU H 3.500 . 4.000 2.768 2.625 2.903 . 0 0 "[ . 1 . 2]" 1
510 1 105 GLU H 1 105 GLU QG 3.000 . 3.500 2.790 2.560 3.003 . 0 0 "[ . 1 . 2]" 1
511 1 78 ILE HB 1 79 TYR H 3.000 . 3.500 2.669 2.528 2.829 . 0 0 "[ . 1 . 2]" 1
512 1 102 GLU QB 1 105 GLU H 5.000 . 5.500 4.895 4.843 4.919 . 0 0 "[ . 1 . 2]" 1
513 1 78 ILE QG 1 79 TYR H 4.500 . 5.000 4.355 4.326 4.399 . 0 0 "[ . 1 . 2]" 1
514 1 78 ILE MG 1 79 TYR H 3.500 . 4.000 2.424 2.246 2.568 . 0 0 "[ . 1 . 2]" 1
515 1 79 TYR QD 1 80 GLU H 5.500 . 6.000 4.456 4.091 4.669 . 0 0 "[ . 1 . 2]" 1
516 1 77 VAL HA 1 80 GLU H 3.000 . 3.500 3.488 3.270 3.522 0.022 4 0 "[ . 1 . 2]" 1
517 1 79 TYR QB 1 80 GLU H 3.000 . 3.500 2.632 2.448 2.794 . 0 0 "[ . 1 . 2]" 1
518 1 80 GLU H 1 80 GLU QG 3.000 . 3.500 2.625 2.405 2.862 . 0 0 "[ . 1 . 2]" 1
519 1 80 GLU H 1 80 GLU QB 2.800 . 3.300 2.268 2.179 2.349 . 0 0 "[ . 1 . 2]" 1
520 1 81 ARG H 1 82 MET H 2.300 . 2.800 2.698 2.650 2.750 . 0 0 "[ . 1 . 2]" 1
521 1 81 ARG H 1 83 ASN H 4.500 . 5.000 4.204 4.164 4.258 . 0 0 "[ . 1 . 2]" 1
522 1 77 VAL HA 1 81 ARG H 4.500 . 5.000 3.048 2.931 3.227 . 0 0 "[ . 1 . 2]" 1
523 1 81 ARG H 1 81 ARG QD 5.000 . 5.500 4.045 3.687 4.361 . 0 0 "[ . 1 . 2]" 1
524 1 80 GLU QG 1 81 ARG H 4.500 . 5.000 4.155 4.048 4.276 . 0 0 "[ . 1 . 2]" 1
525 1 80 GLU QB 1 81 ARG H 2.300 . 2.800 2.406 2.304 2.496 . 0 0 "[ . 1 . 2]" 1
526 1 81 ARG H 1 81 ARG QB 2.800 . 3.300 2.380 2.321 2.577 . 0 0 "[ . 1 . 2]" 1
527 1 81 ARG H 1 81 ARG QG 3.500 . 4.000 2.381 2.083 2.558 . 0 0 "[ . 1 . 2]" 1
528 1 82 MET H 1 83 ASN H 2.300 . 2.800 2.671 2.611 2.735 . 0 0 "[ . 1 . 2]" 1
529 1 78 ILE HA 1 82 MET H 4.500 . 5.000 4.484 4.366 4.595 . 0 0 "[ . 1 . 2]" 1
530 1 82 MET H 1 83 ASN QB 5.000 . 5.500 4.551 4.327 4.829 . 0 0 "[ . 1 . 2]" 1
531 1 82 MET H 1 82 MET QG 4.500 . 5.000 3.957 3.908 3.981 . 0 0 "[ . 1 . 2]" 1
532 1 81 ARG QG 1 82 MET H 5.000 . 5.500 4.201 3.957 4.288 . 0 0 "[ . 1 . 2]" 1
533 1 83 ASN H 1 86 LEU H 4.500 . 5.000 4.955 4.729 5.015 0.015 15 0 "[ . 1 . 2]" 1
534 1 83 ASN H 1 84 GLN H 2.300 . 2.800 2.513 2.475 2.565 . 0 0 "[ . 1 . 2]" 1
535 1 83 ASN H 1 83 ASN QD 3.500 . 4.000 2.806 1.989 3.295 . 0 0 "[ . 1 . 2]" 1
536 1 81 ARG HA 1 83 ASN H 3.500 . 4.000 4.011 4.004 4.021 0.021 15 0 "[ . 1 . 2]" 1
537 1 80 GLU HA 1 83 ASN H 3.000 . 3.500 3.501 3.424 3.515 0.015 6 0 "[ . 1 . 2]" 1
538 1 83 ASN H 1 83 ASN QB 2.800 . 3.300 2.254 2.060 2.527 . 0 0 "[ . 1 . 2]" 1
539 1 82 MET QG 1 83 ASN H 4.500 . 5.000 3.819 3.530 4.094 . 0 0 "[ . 1 . 2]" 1
540 1 82 MET QB 1 83 ASN H 3.500 . 4.000 2.687 2.625 2.739 . 0 0 "[ . 1 . 2]" 1
541 1 83 ASN H 1 86 LEU HG 4.500 . 5.000 4.878 4.537 5.005 0.005 20 0 "[ . 1 . 2]" 1
542 1 83 ASN H 1 86 LEU MD1 5.000 . 5.500 4.351 4.085 4.586 . 0 0 "[ . 1 . 2]" 1
543 1 85 SER H 1 87 SER H 4.500 . 5.000 4.110 3.894 4.543 . 0 0 "[ . 1 . 2]" 1
544 1 38 TYR QE 1 85 SER H 5.500 . 6.000 4.885 4.043 5.351 . 0 0 "[ . 1 . 2]" 1
545 1 82 MET HA 1 85 SER H 3.000 . 3.500 3.490 3.302 3.524 0.024 16 0 "[ . 1 . 2]" 1
546 1 83 ASN HA 1 85 SER H 4.500 . 5.000 4.292 4.100 4.493 . 0 0 "[ . 1 . 2]" 1
547 1 85 SER H 1 85 SER QB 3.500 . 4.000 2.249 2.149 2.823 . 0 0 "[ . 1 . 2]" 1
548 1 84 GLN QB 1 85 SER H 2.800 . 3.300 2.640 2.520 2.749 . 0 0 "[ . 1 . 2]" 1
549 1 85 SER H 1 88 LEU HG 4.500 . 5.000 5.005 4.987 5.016 0.016 13 0 "[ . 1 . 2]" 1
550 1 85 SER H 1 88 LEU MD1 5.000 . 5.500 4.032 3.672 4.305 . 0 0 "[ . 1 . 2]" 1
551 1 86 LEU H 1 87 SER H 2.300 . 2.800 2.678 2.543 2.814 0.014 9 0 "[ . 1 . 2]" 1
552 1 83 ASN HA 1 86 LEU H 3.000 . 3.500 3.402 3.277 3.506 0.006 17 0 "[ . 1 . 2]" 1
553 1 85 SER QB 1 86 LEU H 5.000 . 5.500 2.771 2.554 3.376 . 0 0 "[ . 1 . 2]" 1
554 1 82 MET HA 1 86 LEU H 4.500 . 5.000 4.635 4.096 4.797 . 0 0 "[ . 1 . 2]" 1
555 1 86 LEU H 1 86 LEU QB 2.800 . 3.300 2.513 2.343 2.594 . 0 0 "[ . 1 . 2]" 1
556 1 86 LEU H 1 86 LEU HG 2.300 . 2.800 2.105 1.974 2.449 . 0 0 "[ . 1 . 2]" 1
557 1 86 LEU H 1 86 LEU MD2 3.500 . 4.000 3.239 3.030 3.340 . 0 0 "[ . 1 . 2]" 1
558 1 87 SER H 1 87 SER QB 2.800 . 3.300 2.376 2.080 2.933 . 0 0 "[ . 1 . 2]" 1
559 1 86 LEU QB 1 87 SER H 3.000 . 3.500 2.694 2.291 2.904 . 0 0 "[ . 1 . 2]" 1
560 1 86 LEU MD1 1 87 SER H 5.000 . 5.500 4.529 4.306 4.583 . 0 0 "[ . 1 . 2]" 1
561 1 86 LEU HG 1 87 SER H 4.500 . 5.000 4.271 4.146 4.454 . 0 0 "[ . 1 . 2]" 1
562 1 87 SER H 1 88 LEU H 2.300 . 2.800 2.566 2.403 2.802 0.002 9 0 "[ . 1 . 2]" 1
563 1 86 LEU H 1 88 LEU H 4.500 . 5.000 4.169 4.039 4.322 . 0 0 "[ . 1 . 2]" 1
564 1 17 TYR HH 1 88 LEU H 4.500 . 5.000 4.659 3.955 5.012 0.012 16 0 "[ . 1 . 2]" 1
565 1 88 LEU H 1 90 TYR QD 5.500 . 6.000 4.984 4.630 5.313 . 0 0 "[ . 1 . 2]" 1
566 1 87 SER QB 1 88 LEU H 3.500 . 4.000 2.785 2.615 3.451 . 0 0 "[ . 1 . 2]" 1
567 1 88 LEU H 1 88 LEU HG 2.300 . 2.800 2.208 2.084 2.395 . 0 0 "[ . 1 . 2]" 1
568 1 88 LEU H 1 89 LEU QB 5.000 . 5.500 4.442 4.351 4.674 . 0 0 "[ . 1 . 2]" 1
569 1 88 LEU H 1 88 LEU QB 2.800 . 3.300 2.454 2.383 2.511 . 0 0 "[ . 1 . 2]" 1
570 1 88 LEU H 1 88 LEU MD1 3.500 . 4.000 3.341 3.323 3.349 . 0 0 "[ . 1 . 2]" 1
571 1 89 LEU H 1 90 TYR H 2.300 . 2.800 2.310 2.264 2.440 . 0 0 "[ . 1 . 2]" 1
572 1 87 SER HA 1 89 LEU H 4.500 . 5.000 4.310 4.106 4.694 . 0 0 "[ . 1 . 2]" 1
573 1 86 LEU HA 1 89 LEU H 3.000 . 3.500 3.489 3.383 3.532 0.032 14 0 "[ . 1 . 2]" 1
574 1 88 LEU HG 1 89 LEU H 4.500 . 5.000 4.331 4.177 4.487 . 0 0 "[ . 1 . 2]" 1
575 1 89 LEU H 1 89 LEU QB 2.300 . 2.800 2.113 2.048 2.142 . 0 0 "[ . 1 . 2]" 1
576 1 89 LEU H 1 89 LEU HG 4.500 . 5.000 4.386 4.327 4.409 . 0 0 "[ . 1 . 2]" 1
577 1 88 LEU QB 1 89 LEU H 4.500 . 5.000 2.562 2.305 2.697 . 0 0 "[ . 1 . 2]" 1
578 1 89 LEU H 1 89 LEU MD1 3.500 . 4.000 2.806 2.719 2.918 . 0 0 "[ . 1 . 2]" 1
579 1 88 LEU MD1 1 89 LEU H 5.000 . 5.500 4.305 4.073 4.493 . 0 0 "[ . 1 . 2]" 1
580 1 21 LEU MD1 1 89 LEU H 6.000 . 6.500 4.000 3.849 4.165 . 0 0 "[ . 1 . 2]" 1
581 1 90 TYR H 1 92 VAL H 4.500 . 5.000 4.373 4.323 4.437 . 0 0 "[ . 1 . 2]" 1
582 1 17 TYR HH 1 90 TYR H 4.500 . 5.000 4.975 4.885 5.011 0.011 6 0 "[ . 1 . 2]" 1
583 1 87 SER HA 1 90 TYR H 3.000 . 3.500 3.197 3.073 3.369 . 0 0 "[ . 1 . 2]" 1
584 1 90 TYR H 1 90 TYR QB 2.800 . 3.300 2.175 2.072 2.247 . 0 0 "[ . 1 . 2]" 1
585 1 89 LEU QB 1 90 TYR H 3.500 . 4.000 3.218 3.169 3.320 . 0 0 "[ . 1 . 2]" 1
586 1 89 LEU HG 1 90 TYR H 4.500 . 5.000 4.542 4.505 4.578 . 0 0 "[ . 1 . 2]" 1
587 1 89 LEU MD1 1 90 TYR H 3.500 . 4.000 2.154 2.112 2.191 . 0 0 "[ . 1 . 2]" 1
588 1 91 ASN H 1 92 VAL H 2.300 . 2.800 2.753 2.708 2.785 . 0 0 "[ . 1 . 2]" 1
589 1 90 TYR H 1 91 ASN H 2.300 . 2.800 2.672 2.641 2.697 . 0 0 "[ . 1 . 2]" 1
590 1 89 LEU H 1 91 ASN H 4.500 . 5.000 3.904 3.853 4.008 . 0 0 "[ . 1 . 2]" 1
591 1 89 LEU HA 1 91 ASN H 3.000 . 3.500 3.545 3.524 3.556 0.056 4 0 "[ . 1 . 2]" 1
592 1 90 TYR QB 1 91 ASN H 3.500 . 4.000 3.087 2.998 3.371 . 0 0 "[ . 1 . 2]" 1
593 1 91 ASN H 1 91 ASN QB 2.300 . 2.800 2.428 2.346 2.498 . 0 0 "[ . 1 . 2]" 1
594 1 91 ASN H 1 92 VAL MG2 5.000 . 5.500 3.960 3.909 4.062 . 0 0 "[ . 1 . 2]" 1
595 1 90 TYR HA 1 92 VAL H 3.000 . 3.500 3.494 3.454 3.505 0.005 1 0 "[ . 1 . 2]" 1
596 1 89 LEU HA 1 92 VAL H 4.500 . 5.000 3.882 3.813 4.004 . 0 0 "[ . 1 . 2]" 1
597 1 92 VAL H 1 93 PRO QD 3.500 . 4.000 3.470 3.392 3.514 . 0 0 "[ . 1 . 2]" 1
598 1 91 ASN QB 1 92 VAL H 3.500 . 4.000 2.827 2.807 2.847 . 0 0 "[ . 1 . 2]" 1
599 1 92 VAL H 1 92 VAL HB 2.300 . 2.800 2.752 2.727 2.778 . 0 0 "[ . 1 . 2]" 1
600 1 92 VAL H 1 96 ALA MB 3.500 . 4.000 3.173 3.088 3.260 . 0 0 "[ . 1 . 2]" 1
601 1 92 VAL H 1 92 VAL MG2 2.800 . 3.300 2.167 2.110 2.302 . 0 0 "[ . 1 . 2]" 1
602 1 89 LEU MD1 1 92 VAL H 5.000 . 5.500 4.269 4.160 4.408 . 0 0 "[ . 1 . 2]" 1
603 1 21 LEU MD2 1 92 VAL H 6.000 . 6.500 4.840 4.691 5.059 . 0 0 "[ . 1 . 2]" 1
604 1 94 ALA H 1 96 ALA H 4.500 . 5.000 3.907 3.844 3.971 . 0 0 "[ . 1 . 2]" 1
605 1 93 PRO QD 1 94 ALA H 3.500 . 4.000 3.206 3.169 3.238 . 0 0 "[ . 1 . 2]" 1
606 1 93 PRO QB 1 94 ALA H 3.500 . 4.000 3.086 3.021 3.146 . 0 0 "[ . 1 . 2]" 1
607 1 94 ALA H 1 94 ALA MB 2.800 . 3.300 2.206 2.118 2.245 . 0 0 "[ . 1 . 2]" 1
608 1 92 VAL MG1 1 94 ALA H 3.500 . 4.000 2.710 2.493 2.847 . 0 0 "[ . 1 . 2]" 1
609 1 94 ALA H 1 95 VAL H 2.300 . 2.800 2.681 2.615 2.741 . 0 0 "[ . 1 . 2]" 1
610 1 95 VAL H 1 97 GLU H 4.500 . 5.000 4.048 3.963 4.109 . 0 0 "[ . 1 . 2]" 1
611 1 95 VAL H 1 96 ALA H 2.300 . 2.800 2.474 2.396 2.528 . 0 0 "[ . 1 . 2]" 1
612 1 95 VAL H 1 95 VAL HB 2.300 . 2.800 2.461 2.434 2.495 . 0 0 "[ . 1 . 2]" 1
613 1 93 PRO QG 1 95 VAL H 5.500 . 6.000 5.297 5.236 5.345 . 0 0 "[ . 1 . 2]" 1
614 1 94 ALA MB 1 95 VAL H 2.300 . 2.800 2.304 2.249 2.353 . 0 0 "[ . 1 . 2]" 1
615 1 92 VAL MG1 1 95 VAL H 3.500 . 4.000 1.898 1.863 1.924 . 0 0 "[ . 1 . 2]" 1
616 1 95 VAL H 1 99 ILE MG 6.000 . 6.500 5.369 5.188 5.419 . 0 0 "[ . 1 . 2]" 1
617 1 96 ALA H 1 97 GLU H 2.300 . 2.800 2.818 2.804 2.833 0.033 19 0 "[ . 1 . 2]" 1
618 1 96 ALA H 1 98 GLU H 5.500 . 6.000 4.512 4.245 4.641 . 0 0 "[ . 1 . 2]" 1
619 1 95 VAL HB 1 96 ALA H 2.300 . 2.800 2.553 2.490 2.611 . 0 0 "[ . 1 . 2]" 1
620 1 96 ALA H 1 96 ALA MB 2.800 . 3.300 2.172 2.128 2.199 . 0 0 "[ . 1 . 2]" 1
621 1 94 ALA MB 1 96 ALA H 5.000 . 5.500 4.370 4.321 4.406 . 0 0 "[ . 1 . 2]" 1
622 1 95 VAL MG2 1 96 ALA H 5.000 . 5.500 3.825 3.772 3.865 . 0 0 "[ . 1 . 2]" 1
623 1 95 VAL MG1 1 96 ALA H 3.500 . 4.000 3.341 3.333 3.346 . 0 0 "[ . 1 . 2]" 1
624 1 97 GLU H 1 98 GLU H 2.300 . 2.800 2.611 2.461 2.674 . 0 0 "[ . 1 . 2]" 1
625 1 97 GLU H 1 97 GLU QG 3.000 . 3.500 2.568 2.141 3.000 . 0 0 "[ . 1 . 2]" 1
626 1 97 GLU H 1 97 GLU QB 2.300 . 2.800 2.330 2.169 2.508 . 0 0 "[ . 1 . 2]" 1
627 1 96 ALA MB 1 97 GLU H 2.800 . 3.300 2.672 2.565 2.750 . 0 0 "[ . 1 . 2]" 1
628 1 95 VAL HA 1 97 GLU H 4.500 . 5.000 4.060 3.934 4.209 . 0 0 "[ . 1 . 2]" 1
629 1 95 VAL HB 1 97 GLU H 4.500 . 5.000 4.969 4.853 5.028 0.028 6 0 "[ . 1 . 2]" 1
630 1 95 VAL H 1 98 GLU H 4.500 . 5.000 4.987 4.874 5.039 0.039 5 0 "[ . 1 . 2]" 1
631 1 98 GLU H 1 99 ILE H 2.300 . 2.800 2.673 2.494 2.747 . 0 0 "[ . 1 . 2]" 1
632 1 95 VAL HA 1 98 GLU H 3.000 . 3.500 3.394 3.262 3.459 . 0 0 "[ . 1 . 2]" 1
633 1 96 ALA HA 1 98 GLU H 4.500 . 5.000 4.811 4.469 4.955 . 0 0 "[ . 1 . 2]" 1
634 1 98 GLU H 1 98 GLU QG 2.800 . 3.300 1.975 1.773 2.416 0.027 9 0 "[ . 1 . 2]" 1
635 1 98 GLU H 1 98 GLU QB 2.800 . 3.300 2.679 2.339 2.748 . 0 0 "[ . 1 . 2]" 1
636 1 95 VAL MG1 1 98 GLU H 5.000 . 5.500 4.529 4.316 4.586 . 0 0 "[ . 1 . 2]" 1
637 1 98 GLU H 1 99 ILE MG 5.000 . 5.500 4.220 4.012 4.333 . 0 0 "[ . 1 . 2]" 1
638 1 97 GLU H 1 99 ILE H 4.500 . 5.000 4.024 3.926 4.156 . 0 0 "[ . 1 . 2]" 1
639 1 99 ILE H 1 100 GLN H 2.300 . 2.800 2.609 2.551 2.700 . 0 0 "[ . 1 . 2]" 1
640 1 97 GLU HA 1 99 ILE H 4.500 . 5.000 4.574 4.457 4.703 . 0 0 "[ . 1 . 2]" 1
641 1 96 ALA HA 1 99 ILE H 4.500 . 5.000 3.900 3.741 4.063 . 0 0 "[ . 1 . 2]" 1
642 1 98 GLU QG 1 99 ILE H . . 4.000 3.430 1.997 3.619 . 0 0 "[ . 1 . 2]" 1
643 1 99 ILE H 1 99 ILE QG 3.500 . 4.000 2.031 1.965 2.107 . 0 0 "[ . 1 . 2]" 1
644 1 99 ILE H 1 99 ILE MD 5.000 . 5.500 3.667 3.627 3.718 . 0 0 "[ . 1 . 2]" 1
645 1 99 ILE H 1 99 ILE MG 2.800 . 3.300 2.218 2.097 2.368 . 0 0 "[ . 1 . 2]" 1
646 1 100 GLN H 1 101 ASP H 2.300 . 2.800 2.697 2.650 2.733 . 0 0 "[ . 1 . 2]" 1
647 1 98 GLU H 1 100 GLN H 4.500 . 5.000 4.050 3.855 4.176 . 0 0 "[ . 1 . 2]" 1
648 1 100 GLN H 1 103 VAL H 4.500 . 5.000 4.537 4.498 4.571 . 0 0 "[ . 1 . 2]" 1
649 1 96 ALA HA 1 100 GLN H 4.500 . 5.000 3.798 3.719 3.962 . 0 0 "[ . 1 . 2]" 1
650 1 97 GLU HA 1 100 GLN H 3.000 . 3.500 3.530 3.515 3.547 0.047 5 0 "[ . 1 . 2]" 1
651 1 98 GLU HA 1 100 GLN H 4.500 . 5.000 4.479 4.365 4.596 . 0 0 "[ . 1 . 2]" 1
652 1 100 GLN H 1 100 GLN QB 2.300 . 2.800 2.183 2.140 2.229 . 0 0 "[ . 1 . 2]" 1
653 1 100 GLN H 1 103 VAL HB 4.500 . 5.000 4.375 4.297 4.441 . 0 0 "[ . 1 . 2]" 1
654 1 99 ILE HB 1 100 GLN H 4.500 . 5.000 3.769 3.691 3.847 . 0 0 "[ . 1 . 2]" 1
655 1 99 ILE QG 1 100 GLN H 3.500 . 4.000 1.944 1.889 1.976 . 0 0 "[ . 1 . 2]" 1
656 1 99 ILE MD 1 100 GLN H 3.500 . 4.000 2.495 2.403 2.598 . 0 0 "[ . 1 . 2]" 1
657 1 99 ILE MG 1 100 GLN H 5.000 . 5.500 3.930 3.892 3.975 . 0 0 "[ . 1 . 2]" 1
658 1 101 ASP H 1 102 GLU H 2.300 . 2.800 2.791 2.728 2.809 0.009 5 0 "[ . 1 . 2]" 1
659 1 102 GLU H 1 103 VAL H 2.300 . 2.800 2.510 2.462 2.569 . 0 0 "[ . 1 . 2]" 1
660 1 99 ILE HA 1 102 GLU H 4.500 . 5.000 3.584 3.516 3.686 . 0 0 "[ . 1 . 2]" 1
661 1 101 ASP QB 1 102 GLU H 2.800 . 3.300 2.461 2.328 2.597 . 0 0 "[ . 1 . 2]" 1
662 1 102 GLU H 1 102 GLU QG 2.800 . 3.300 1.970 1.916 2.043 . 0 0 "[ . 1 . 2]" 1
663 1 102 GLU H 1 102 GLU QB 3.000 . 3.500 2.598 2.536 2.646 . 0 0 "[ . 1 . 2]" 1
664 1 106 LEU H 1 106 LEU MD2 3.500 . 4.000 3.335 3.158 3.375 . 0 0 "[ . 1 . 2]" 1
665 1 103 VAL H 1 104 ASP H 2.300 . 2.800 2.795 2.616 2.816 0.016 5 0 "[ . 1 . 2]" 1
666 1 32 PHE QD 1 103 VAL H 5.500 . 6.000 4.283 3.517 4.748 . 0 0 "[ . 1 . 2]" 1
667 1 99 ILE HA 1 103 VAL H 4.500 . 5.000 3.697 3.648 3.746 . 0 0 "[ . 1 . 2]" 1
668 1 101 ASP HA 1 103 VAL H 4.500 . 5.000 4.598 4.378 4.764 . 0 0 "[ . 1 . 2]" 1
669 1 100 GLN HA 1 103 VAL H 3.000 . 3.500 3.507 3.460 3.528 0.028 19 0 "[ . 1 . 2]" 1
670 1 103 VAL H 1 103 VAL HB 2.300 . 2.800 2.286 2.250 2.333 . 0 0 "[ . 1 . 2]" 1
671 1 102 GLU QG 1 103 VAL H 5.000 . 5.500 2.149 1.987 2.326 . 0 0 "[ . 1 . 2]" 1
672 1 102 GLU QB 1 103 VAL H 3.500 . 4.000 3.471 3.385 3.550 . 0 0 "[ . 1 . 2]" 1
673 1 103 VAL H 1 103 VAL MG2 2.800 . 3.300 2.675 2.527 2.751 . 0 0 "[ . 1 . 2]" 1
674 1 103 VAL H 1 106 LEU MD2 5.000 . 5.500 4.217 4.100 4.443 . 0 0 "[ . 1 . 2]" 1
675 1 102 GLU H 1 104 ASP H 4.500 . 5.000 4.428 4.286 4.575 . 0 0 "[ . 1 . 2]" 1
676 1 100 GLN HA 1 104 ASP H 4.500 . 5.000 3.305 3.002 3.519 . 0 0 "[ . 1 . 2]" 1
677 1 104 ASP H 1 104 ASP QB 2.300 . 2.800 2.173 2.084 2.278 . 0 0 "[ . 1 . 2]" 1
678 1 103 VAL HB 1 104 ASP H 2.300 . 2.800 2.540 2.434 2.642 . 0 0 "[ . 1 . 2]" 1
679 1 102 GLU QG 1 104 ASP H 5.000 . 5.500 4.609 4.482 4.775 . 0 0 "[ . 1 . 2]" 1
680 1 103 VAL MG2 1 104 ASP H 5.000 . 5.500 3.969 3.915 4.025 . 0 0 "[ . 1 . 2]" 1
681 1 103 VAL MG1 1 104 ASP H 3.500 . 4.000 2.711 2.496 3.070 . 0 0 "[ . 1 . 2]" 1
682 1 104 ASP H 1 106 LEU MD2 5.000 . 5.500 4.515 4.282 4.610 . 0 0 "[ . 1 . 2]" 1
683 1 106 LEU H 1 107 LEU H 2.300 . 2.800 2.470 2.394 2.565 . 0 0 "[ . 1 . 2]" 1
684 1 105 GLU H 1 106 LEU H 2.300 . 2.800 2.500 2.371 2.597 . 0 0 "[ . 1 . 2]" 1
685 1 32 PHE QD 1 106 LEU H 5.500 . 6.000 4.961 4.045 5.355 . 0 0 "[ . 1 . 2]" 1
686 1 103 VAL HA 1 106 LEU H 3.000 . 3.500 3.332 3.235 3.445 . 0 0 "[ . 1 . 2]" 1
687 1 104 ASP QB 1 106 LEU H 5.000 . 5.500 4.591 4.505 4.672 . 0 0 "[ . 1 . 2]" 1
688 1 105 GLU QB 1 106 LEU H 2.800 . 3.300 2.952 2.933 2.974 . 0 0 "[ . 1 . 2]" 1
689 1 106 LEU H 1 106 LEU QB 2.800 . 3.300 2.184 2.061 2.245 . 0 0 "[ . 1 . 2]" 1
690 1 107 LEU H 1 108 GLN H 2.300 . 2.800 2.453 2.422 2.542 . 0 0 "[ . 1 . 2]" 1
691 1 104 ASP HA 1 107 LEU H 3.000 . 3.500 3.497 3.432 3.519 0.019 9 0 "[ . 1 . 2]" 1
692 1 103 VAL HA 1 107 LEU H 4.500 . 5.000 4.541 4.143 4.761 . 0 0 "[ . 1 . 2]" 1
693 1 106 LEU QB 1 107 LEU H 3.500 . 4.000 3.374 3.220 3.452 . 0 0 "[ . 1 . 2]" 1
694 1 107 LEU H 1 107 LEU QB 3.500 . 4.000 2.411 2.343 2.496 . 0 0 "[ . 1 . 2]" 1
695 1 108 GLN H 1 109 LYS H 2.300 . 2.800 2.808 2.725 2.831 0.031 10 0 "[ . 1 . 2]" 1
696 1 108 GLN QG 1 109 LYS H 3.500 . 4.000 3.079 1.825 3.606 . 0 0 "[ . 1 . 2]" 1
697 1 109 LYS H 1 109 LYS QG 3.000 . 3.500 2.584 1.961 3.034 . 0 0 "[ . 1 . 2]" 1
698 1 109 LYS H 1 109 LYS QD 5.000 . 5.500 3.963 2.194 4.572 . 0 0 "[ . 1 . 2]" 1
699 1 109 LYS H 1 110 GLU H 2.300 . 2.800 2.626 2.246 2.820 0.020 14 0 "[ . 1 . 2]" 1
700 1 107 LEU HA 1 110 GLU H 3.000 . 3.500 3.191 2.876 3.506 0.006 14 0 "[ . 1 . 2]" 1
701 1 110 GLU H 1 110 GLU QG 2.800 . 3.300 2.362 1.967 2.956 . 0 0 "[ . 1 . 2]" 1
702 1 110 GLU H 1 110 GLU QB 2.800 . 3.300 2.613 2.125 2.977 . 0 0 "[ . 1 . 2]" 1
703 1 4 ALA HA 1 7 ASN QD 3.500 . 4.000 3.003 1.999 3.571 . 0 0 "[ . 1 . 2]" 1
704 1 13 ALA HA 1 16 ASN QD 3.500 . 4.000 2.408 1.980 2.656 . 0 0 "[ . 1 . 2]" 1
705 1 12 LEU HG 1 16 ASN QD 3.500 . 4.000 3.579 3.574 3.586 . 0 0 "[ . 1 . 2]" 1
706 1 12 LEU MD1 1 16 ASN QD 3.500 . 4.000 1.686 1.666 1.732 0.134 15 0 "[ . 1 . 2]" 1
707 1 18 ILE MG 1 22 GLN QE 3.500 . 4.000 2.518 1.914 2.971 . 0 0 "[ . 1 . 2]" 1
708 1 92 VAL MG1 1 96 ALA H 3.500 . 4.000 3.350 3.342 3.357 . 0 0 "[ . 1 . 2]" 1
709 1 80 GLU HA 1 83 ASN QD 4.500 . 5.000 2.925 1.996 4.269 . 0 0 "[ . 1 . 2]" 1
710 1 88 LEU HA 1 91 ASN QD 4.500 . 5.000 2.237 2.090 2.449 . 0 0 "[ . 1 . 2]" 1
711 1 88 LEU MD2 1 91 ASN QD 3.500 . 4.000 2.971 2.950 2.977 . 0 0 "[ . 1 . 2]" 1
712 1 43 GLN QE 1 110 GLU QG 5.000 . 5.500 3.983 3.025 4.368 . 0 0 "[ . 1 . 2]" 1
713 1 43 GLN QE 1 82 MET ME 5.000 . 5.500 3.883 3.534 4.081 . 0 0 "[ . 1 . 2]" 1
714 1 100 GLN HA 1 100 GLN QE 5.000 . 5.500 2.742 1.987 3.591 . 0 0 "[ . 1 . 2]" 1
715 1 100 GLN QE 1 103 VAL MG1 5.000 . 5.500 3.235 2.597 4.083 . 0 0 "[ . 1 . 2]" 1
716 1 10 ARG QB 1 10 ARG HE 3.500 . 4.000 2.850 2.013 3.575 . 0 0 "[ . 1 . 2]" 1
717 1 106 LEU HG 1 107 LEU H 3.000 . 3.500 2.231 1.987 2.616 . 0 0 "[ . 1 . 2]" 1
718 1 53 PHE H 1 71 VAL MG1 5.000 . 5.500 3.220 2.909 3.501 . 0 0 "[ . 1 . 2]" 1
719 1 7 ASN HA 1 10 ARG HE 4.500 . 5.000 4.574 3.045 5.005 0.005 8 0 "[ . 1 . 2]" 1
720 1 10 ARG HE 1 78 ILE HA 4.500 . 5.000 4.968 4.695 5.022 0.022 16 0 "[ . 1 . 2]" 1
721 1 10 ARG HE 1 38 TYR QE 5.500 . 6.000 4.412 3.820 5.129 . 0 0 "[ . 1 . 2]" 1
722 1 98 GLU H 1 99 ILE QG 5.000 . 5.500 3.837 3.656 3.993 . 0 0 "[ . 1 . 2]" 1
723 1 50 LEU QB 1 51 LYS H 3.000 . 3.500 2.636 2.303 3.130 . 0 0 "[ . 1 . 2]" 1
724 1 51 LYS H 1 51 LYS QD 3.500 . 4.000 3.196 2.499 3.572 . 0 0 "[ . 1 . 2]" 1
725 1 12 LEU HG 1 13 ALA H 2.800 . 3.300 1.975 1.882 2.191 . 0 0 "[ . 1 . 2]" 1
726 1 17 TYR QE 1 35 LEU H 6.500 . 7.000 6.185 5.796 6.249 . 0 0 "[ . 1 . 2]" 1
727 1 37 LYS H 1 37 LYS QE 5.000 . 5.500 4.299 4.011 4.901 . 0 0 "[ . 1 . 2]" 1
728 1 38 TYR H 1 39 VAL H 2.300 . 2.800 2.604 2.465 2.773 . 0 0 "[ . 1 . 2]" 1
729 1 35 LEU MD1 1 38 TYR H 5.000 . 5.500 4.595 4.568 4.623 . 0 0 "[ . 1 . 2]" 1
730 1 35 LEU MD2 1 38 TYR H 6.000 . 6.500 5.190 4.967 5.429 . 0 0 "[ . 1 . 2]" 1
731 1 12 LEU H 1 15 GLU QB 4.500 . 5.000 4.466 4.287 4.495 . 0 0 "[ . 1 . 2]" 1
732 1 63 LYS QG 1 67 ILE H 6.000 . 6.500 5.282 4.902 5.592 . 0 0 "[ . 1 . 2]" 1
733 1 64 ALA H 1 67 ILE MD 6.000 . 6.500 4.322 4.013 4.884 . 0 0 "[ . 1 . 2]" 1
734 1 56 VAL H 1 57 ARG QB 5.000 . 5.500 4.382 4.322 4.442 . 0 0 "[ . 1 . 2]" 1
735 1 65 ALA HA 1 68 ARG H 3.000 . 3.500 3.469 3.301 3.519 0.019 10 0 "[ . 1 . 2]" 1
736 1 2 VAL MG1 1 52 HIS HE1 6.000 . 6.500 4.892 3.317 5.412 . 0 0 "[ . 1 . 2]" 1
737 1 2 VAL MG1 1 3 GLU HA 3.500 . 4.000 3.343 3.331 3.350 . 0 0 "[ . 1 . 2]" 1
738 1 2 VAL MG1 1 5 MET QB 3.500 . 4.000 2.973 2.968 2.978 . 0 0 "[ . 1 . 2]" 1
739 1 2 VAL HA 1 2 VAL MG2 2.800 . 3.300 2.284 2.211 2.420 . 0 0 "[ . 1 . 2]" 1
740 1 26 PRO HA 1 31 VAL MG1 5.000 . 5.500 4.161 3.756 4.453 . 0 0 "[ . 1 . 2]" 1
741 1 28 PRO HA 1 31 VAL MG1 3.500 . 4.000 2.724 2.453 3.035 . 0 0 "[ . 1 . 2]" 1
742 1 28 PRO QD 1 31 VAL MG1 5.000 . 5.500 3.738 3.530 3.909 . 0 0 "[ . 1 . 2]" 1
743 1 2 VAL MG2 1 5 MET QG 4.500 . 5.000 3.576 3.417 3.714 . 0 0 "[ . 1 . 2]" 1
744 1 50 LEU HA 1 71 VAL MG1 5.000 . 5.500 3.778 3.308 4.329 . 0 0 "[ . 1 . 2]" 1
745 1 53 PHE QB 1 71 VAL MG1 3.500 . 4.000 2.795 1.798 2.994 0.002 18 0 "[ . 1 . 2]" 1
746 1 71 VAL MG1 1 72 MET QG 6.000 . 6.500 4.197 3.995 4.440 . 0 0 "[ . 1 . 2]" 1
747 1 49 THR MG 1 71 VAL MG1 3.300 . 3.800 1.736 1.640 1.956 0.160 8 0 "[ . 1 . 2]" 1
748 1 17 TYR QE 1 21 LEU MD1 6.000 . 6.500 2.087 1.924 2.548 . 0 0 "[ . 1 . 2]" 1
749 1 18 ILE HA 1 21 LEU MD1 5.000 . 5.500 2.532 2.255 2.771 . 0 0 "[ . 1 . 2]" 1
750 1 21 LEU MD1 1 92 VAL HB 5.000 . 5.500 4.160 3.837 4.416 . 0 0 "[ . 1 . 2]" 1
751 1 21 LEU MD1 1 88 LEU QB 5.000 . 5.500 3.982 3.828 4.085 . 0 0 "[ . 1 . 2]" 1
752 1 21 LEU MD1 1 92 VAL MG2 5.500 . 6.000 2.978 2.610 3.282 . 0 0 "[ . 1 . 2]" 1
753 1 21 LEU HA 1 21 LEU MD2 2.800 . 3.300 1.982 1.932 2.030 . 0 0 "[ . 1 . 2]" 1
754 1 21 LEU MD2 1 95 VAL HB 5.000 . 5.500 3.099 2.995 3.192 . 0 0 "[ . 1 . 2]" 1
755 1 21 LEU MD2 1 89 LEU QB 3.500 . 4.000 2.979 2.970 2.987 . 0 0 "[ . 1 . 2]" 1
756 1 21 LEU MD2 1 95 VAL MG2 4.000 . 4.500 3.129 3.125 3.136 . 0 0 "[ . 1 . 2]" 1
757 1 3 GLU H 1 6 LEU MD1 5.000 . 5.500 3.876 3.519 4.263 . 0 0 "[ . 1 . 2]" 1
758 1 6 LEU MD1 1 48 HIS HD2 6.000 . 6.500 2.762 1.947 4.432 . 0 0 "[ . 1 . 2]" 1
759 1 6 LEU MD1 1 45 ASP HA 3.500 . 4.000 2.828 2.330 3.186 . 0 0 "[ . 1 . 2]" 1
760 1 6 LEU MD1 1 48 HIS QB 4.000 . 4.500 2.837 2.343 3.340 . 0 0 "[ . 1 . 2]" 1
761 1 5 MET QB 1 6 LEU MD1 6.000 . 6.500 4.148 3.590 4.548 . 0 0 "[ . 1 . 2]" 1
762 1 3 GLU QB 1 6 LEU MD1 5.500 . 6.000 3.550 3.321 3.781 . 0 0 "[ . 1 . 2]" 1
763 1 6 LEU MD2 1 48 HIS H 7.000 . 7.500 5.001 4.373 5.601 . 0 0 "[ . 1 . 2]" 1
764 1 3 GLU HA 1 6 LEU MD2 5.000 . 5.500 4.567 4.440 4.592 . 0 0 "[ . 1 . 2]" 1
765 1 6 LEU MD2 1 45 ASP QB 5.500 . 6.000 3.548 2.845 4.201 . 0 0 "[ . 1 . 2]" 1
766 1 6 LEU MD2 1 9 ARG QD 5.500 . 6.000 3.301 2.415 4.460 . 0 0 "[ . 1 . 2]" 1
767 1 6 LEU MD2 1 44 LYS QE 5.000 . 5.500 3.495 2.261 4.082 . 0 0 "[ . 1 . 2]" 1
768 1 14 LEU MD1 1 18 ILE H 5.000 . 5.500 3.589 3.423 3.754 . 0 0 "[ . 1 . 2]" 1
769 1 14 LEU MD1 1 85 SER HA 3.500 . 4.000 3.286 2.585 3.345 . 0 0 "[ . 1 . 2]" 1
770 1 14 LEU HA 1 14 LEU MD1 2.800 . 3.300 2.630 2.241 2.806 . 0 0 "[ . 1 . 2]" 1
771 1 106 LEU MD2 1 107 LEU H 5.000 . 5.500 3.585 2.888 3.764 . 0 0 "[ . 1 . 2]" 1
772 1 32 PHE QE 1 106 LEU MD2 6.000 . 6.500 2.071 1.897 2.783 . 0 0 "[ . 1 . 2]" 1
773 1 103 VAL HA 1 106 LEU MD2 3.500 . 4.000 1.805 1.742 1.889 0.058 2 0 "[ . 1 . 2]" 1
774 1 14 LEU MD2 1 85 SER QB 3.500 . 4.000 2.041 1.788 2.781 0.012 4 0 "[ . 1 . 2]" 1
775 1 14 LEU MD2 1 38 TYR QB 5.000 . 5.500 3.285 2.742 4.107 . 0 0 "[ . 1 . 2]" 1
776 1 103 VAL MG2 1 106 LEU MD2 4.000 . 4.500 2.522 2.380 2.883 . 0 0 "[ . 1 . 2]" 1
777 1 89 LEU MD1 1 96 ALA H 5.000 . 5.500 4.271 4.030 4.526 . 0 0 "[ . 1 . 2]" 1
778 1 89 LEU MD1 1 91 ASN H 5.000 . 5.500 4.024 4.011 4.045 . 0 0 "[ . 1 . 2]" 1
779 1 88 LEU H 1 89 LEU MD1 5.000 . 5.500 4.614 4.581 4.630 . 0 0 "[ . 1 . 2]" 1
780 1 89 LEU MD1 1 96 ALA HA 3.500 . 4.000 2.693 2.440 2.976 . 0 0 "[ . 1 . 2]" 1
781 1 2 VAL HA 1 5 MET QG 5.000 . 5.500 2.045 1.985 2.192 . 0 0 "[ . 1 . 2]" 1
782 1 2 VAL HA 1 5 MET QB 2.800 . 3.300 2.691 2.401 2.942 . 0 0 "[ . 1 . 2]" 1
783 1 3 GLU HA 1 3 GLU QG 3.500 . 4.000 2.948 2.599 3.338 . 0 0 "[ . 1 . 2]" 1
784 1 10 ARG QG 1 38 TYR QE 6.000 . 6.500 2.620 1.921 3.444 . 0 0 "[ . 1 . 2]" 1
785 1 3 GLU HA 1 6 LEU QB 3.500 . 4.000 3.172 2.992 3.361 . 0 0 "[ . 1 . 2]" 1
786 1 6 LEU HA 1 9 ARG QD 5.000 . 5.500 2.474 1.898 3.910 . 0 0 "[ . 1 . 2]" 1
787 1 5 MET HA 1 8 ASP QB 3.500 . 4.000 2.781 2.511 3.124 . 0 0 "[ . 1 . 2]" 1
788 1 8 ASP QB 1 9 ARG HA 5.000 . 5.500 3.805 3.699 3.943 . 0 0 "[ . 1 . 2]" 1
789 1 9 ARG H 1 9 ARG QG 3.000 . 3.500 2.448 2.015 2.921 . 0 0 "[ . 1 . 2]" 1
790 1 94 ALA HA 1 97 GLU H 4.500 . 5.000 4.119 3.998 4.256 . 0 0 "[ . 1 . 2]" 1
791 1 10 ARG HA 1 13 ALA MB 3.500 . 4.000 2.386 2.211 2.554 . 0 0 "[ . 1 . 2]" 1
792 1 14 LEU H 1 14 LEU HG 4.500 . 5.000 4.396 3.421 4.606 . 0 0 "[ . 1 . 2]" 1
793 1 14 LEU HG 1 15 GLU H 4.500 . 5.000 4.406 2.286 4.981 . 0 0 "[ . 1 . 2]" 1
794 1 21 LEU HA 1 21 LEU HG 2.800 . 3.300 3.005 2.930 3.134 . 0 0 "[ . 1 . 2]" 1
795 1 18 ILE HA 1 21 LEU HG 5.000 . 5.500 2.736 2.332 2.966 . 0 0 "[ . 1 . 2]" 1
796 1 18 ILE MD 1 21 LEU HG 3.300 . 3.800 3.187 3.180 3.193 . 0 0 "[ . 1 . 2]" 1
797 1 14 LEU HA 1 17 TYR QB 5.000 . 5.500 3.626 3.351 4.258 . 0 0 "[ . 1 . 2]" 1
798 1 14 LEU HA 1 38 TYR QB 5.000 . 5.500 3.125 2.529 3.553 . 0 0 "[ . 1 . 2]" 1
799 1 15 GLU HA 1 18 ILE MD 5.000 . 5.500 4.545 4.184 4.603 . 0 0 "[ . 1 . 2]" 1
800 1 17 TYR HA 1 20 ALA H 5.000 . 5.500 3.301 3.103 3.413 . 0 0 "[ . 1 . 2]" 1
801 1 17 TYR QE 1 18 ILE MD 4.000 . 4.500 2.455 1.820 2.786 . 0 0 "[ . 1 . 2]" 1
802 1 17 TYR QD 1 35 LEU HA 5.500 . 6.000 4.117 2.815 4.597 . 0 0 "[ . 1 . 2]" 1
803 1 17 TYR QE 1 35 LEU HA 5.500 . 6.000 5.079 3.788 5.387 . 0 0 "[ . 1 . 2]" 1
804 1 17 TYR QE 1 86 LEU HA 5.500 . 6.000 5.281 5.037 5.366 . 0 0 "[ . 1 . 2]" 1
805 1 17 TYR QE 1 89 LEU HA 6.500 . 7.000 3.804 2.863 4.244 . 0 0 "[ . 1 . 2]" 1
806 1 17 TYR QE 1 85 SER HA 6.500 . 7.000 4.524 3.911 5.301 . 0 0 "[ . 1 . 2]" 1
807 1 17 TYR QE 1 89 LEU QB 4.000 . 4.500 1.992 1.836 2.176 . 0 0 "[ . 1 . 2]" 1
808 1 18 ILE HA 1 21 LEU HA 4.500 . 5.000 4.900 4.806 4.976 . 0 0 "[ . 1 . 2]" 1
809 1 18 ILE HA 1 18 ILE MG 2.800 . 3.300 2.519 2.506 2.538 . 0 0 "[ . 1 . 2]" 1
810 1 18 ILE HA 1 21 LEU QB 3.000 . 3.500 2.322 2.106 2.524 . 0 0 "[ . 1 . 2]" 1
811 1 18 ILE MD 1 89 LEU H 5.000 . 5.500 3.853 3.287 4.205 . 0 0 "[ . 1 . 2]" 1
812 1 18 ILE HA 1 18 ILE MD 2.800 . 3.300 1.890 1.857 1.926 . 0 0 "[ . 1 . 2]" 1
813 1 18 ILE HA 1 18 ILE QG 3.500 . 4.000 2.808 2.754 2.846 . 0 0 "[ . 1 . 2]" 1
814 1 14 LEU MD1 1 18 ILE QG 4.000 . 4.500 1.931 1.805 2.051 . 0 0 "[ . 1 . 2]" 1
815 1 15 GLU HA 1 18 ILE HB 3.000 . 3.500 2.421 2.241 2.548 . 0 0 "[ . 1 . 2]" 1
816 1 15 GLU QB 1 18 ILE HB 5.000 . 5.500 4.345 4.017 4.474 . 0 0 "[ . 1 . 2]" 1
817 1 19 THR HA 1 21 LEU H 4.500 . 5.000 4.054 3.789 4.167 . 0 0 "[ . 1 . 2]" 1
818 1 16 ASN HA 1 19 THR HA 5.500 . 6.000 5.556 5.451 5.692 . 0 0 "[ . 1 . 2]" 1
819 1 19 THR HA 1 22 GLN QB 3.500 . 4.000 3.436 3.321 3.515 . 0 0 "[ . 1 . 2]" 1
820 1 19 THR HA 1 19 THR MG 2.800 . 3.300 2.454 2.432 2.494 . 0 0 "[ . 1 . 2]" 1
821 1 18 ILE MG 1 19 THR HA 3.500 . 4.000 3.259 3.252 3.275 . 0 0 "[ . 1 . 2]" 1
822 1 19 THR HB 1 20 ALA H 3.000 . 3.500 2.497 2.476 2.529 . 0 0 "[ . 1 . 2]" 1
823 1 16 ASN HA 1 19 THR HB 4.500 . 5.000 3.343 3.146 3.467 . 0 0 "[ . 1 . 2]" 1
824 1 21 LEU HA 1 31 VAL MG1 3.500 . 4.000 3.240 3.052 3.343 . 0 0 "[ . 1 . 2]" 1
825 1 18 ILE MG 1 19 THR MG 6.500 . 7.000 4.845 4.805 4.865 . 0 0 "[ . 1 . 2]" 1
826 1 23 ALA HA 1 24 VAL HB 4.500 . 5.000 4.667 4.569 4.727 . 0 0 "[ . 1 . 2]" 1
827 1 23 ALA HA 1 24 VAL MG2 5.000 . 5.500 4.374 4.311 4.452 . 0 0 "[ . 1 . 2]" 1
828 1 23 ALA MB 1 26 PRO HA 2.800 . 3.300 1.928 1.873 2.066 . 0 0 "[ . 1 . 2]" 1
829 1 23 ALA MB 1 26 PRO QB 3.500 . 4.000 2.971 2.933 2.977 . 0 0 "[ . 1 . 2]" 1
830 1 24 VAL HA 1 25 PRO HA 3.000 . 3.500 1.958 1.912 2.008 . 0 0 "[ . 1 . 2]" 1
831 1 24 VAL MG1 1 25 PRO HA 3.500 . 4.000 3.046 2.901 3.168 . 0 0 "[ . 1 . 2]" 1
832 1 24 VAL HA 1 24 VAL MG2 2.800 . 3.300 2.445 2.385 2.476 . 0 0 "[ . 1 . 2]" 1
833 1 77 VAL MG1 1 81 ARG H 5.000 . 5.500 3.497 3.337 3.620 . 0 0 "[ . 1 . 2]" 1
834 1 24 VAL H 1 24 VAL HB 3.000 . 3.500 3.516 3.501 3.531 0.031 13 0 "[ . 1 . 2]" 1
835 1 24 VAL HB 1 25 PRO HA 4.500 . 5.000 4.677 4.637 4.701 . 0 0 "[ . 1 . 2]" 1
836 1 25 PRO QB 1 26 PRO QD 4.000 . 4.500 2.932 2.887 3.071 . 0 0 "[ . 1 . 2]" 1
837 1 27 ARG HA 1 27 ARG QG 3.500 . 4.000 2.379 2.070 2.836 . 0 0 "[ . 1 . 2]" 1
838 1 30 HIS HA 1 30 HIS HD2 2.800 . 3.300 2.264 1.977 2.676 . 0 0 "[ . 1 . 2]" 1
839 1 30 HIS HD2 1 33 ASN HA 5.500 . 6.000 5.681 5.439 6.016 0.016 11 0 "[ . 1 . 2]" 1
840 1 27 ARG QB 1 30 HIS HD2 6.000 . 6.500 5.075 4.869 5.209 . 0 0 "[ . 1 . 2]" 1
841 1 63 LYS HA 1 63 LYS QG 3.500 . 4.000 2.956 2.307 3.443 . 0 0 "[ . 1 . 2]" 1
842 1 29 ARG QG 1 30 HIS H 5.000 . 5.500 2.871 2.231 4.710 . 0 0 "[ . 1 . 2]" 1
843 1 29 ARG HA 1 29 ARG QG 3.500 . 4.000 3.319 2.323 3.464 . 0 0 "[ . 1 . 2]" 1
844 1 29 ARG HA 1 29 ARG QD 3.500 . 4.000 3.460 2.235 3.638 . 0 0 "[ . 1 . 2]" 1
845 1 29 ARG QD 1 30 HIS HD2 5.500 . 6.000 4.692 3.902 5.358 . 0 0 "[ . 1 . 2]" 1
846 1 27 ARG QB 1 30 HIS H 3.500 . 4.000 2.237 2.095 2.441 . 0 0 "[ . 1 . 2]" 1
847 1 31 VAL HA 1 31 VAL MG1 3.300 . 3.800 2.527 2.496 2.540 . 0 0 "[ . 1 . 2]" 1
848 1 30 HIS H 1 31 VAL MG1 3.500 . 4.000 3.393 3.380 3.403 . 0 0 "[ . 1 . 2]" 1
849 1 53 PHE QD 1 71 VAL MG2 6.000 . 6.500 2.646 1.844 3.611 . 0 0 "[ . 1 . 2]" 1
850 1 32 PHE HA 1 35 LEU QB 3.500 . 4.000 2.578 2.400 2.857 . 0 0 "[ . 1 . 2]" 1
851 1 32 PHE HA 1 35 LEU HG 4.500 . 5.000 3.443 3.191 4.066 . 0 0 "[ . 1 . 2]" 1
852 1 32 PHE HA 1 99 ILE MD 5.000 . 5.500 4.432 4.260 4.586 . 0 0 "[ . 1 . 2]" 1
853 1 32 PHE HA 1 35 LEU MD2 3.500 . 4.000 2.564 1.949 3.169 . 0 0 "[ . 1 . 2]" 1
854 1 32 PHE QD 1 103 VAL MG2 4.000 . 4.500 2.178 1.960 2.590 . 0 0 "[ . 1 . 2]" 1
855 1 32 PHE QD 1 107 LEU MD1 6.000 . 6.500 4.838 4.832 4.848 . 0 0 "[ . 1 . 2]" 1
856 1 32 PHE QD 1 103 VAL HA 3.500 . 4.000 2.453 1.978 2.764 . 0 0 "[ . 1 . 2]" 1
857 1 32 PHE QE 1 103 VAL HA 5.500 . 6.000 3.706 3.461 3.933 . 0 0 "[ . 1 . 2]" 1
858 1 32 PHE QE 1 102 GLU QB 5.500 . 6.000 4.079 3.602 4.638 . 0 0 "[ . 1 . 2]" 1
859 1 33 ASN HA 1 36 LYS QB 5.000 . 5.500 3.486 2.440 3.849 . 0 0 "[ . 1 . 2]" 1
860 1 33 ASN HA 1 36 LYS QD 3.500 . 4.000 3.580 3.554 3.592 . 0 0 "[ . 1 . 2]" 1
861 1 33 ASN HA 1 36 LYS QG 5.000 . 5.500 2.542 2.051 4.123 . 0 0 "[ . 1 . 2]" 1
862 1 30 HIS HA 1 33 ASN QB 3.500 . 4.000 3.035 2.815 3.302 . 0 0 "[ . 1 . 2]" 1
863 1 34 MET H 1 34 MET QG 3.500 . 4.000 3.432 3.295 3.568 . 0 0 "[ . 1 . 2]" 1
864 1 34 MET H 1 34 MET QB 3.000 . 3.500 2.110 2.080 2.145 . 0 0 "[ . 1 . 2]" 1
865 1 35 LEU HA 1 39 VAL H 4.500 . 5.000 3.915 3.573 4.293 . 0 0 "[ . 1 . 2]" 1
866 1 35 LEU HA 1 38 TYR QB 3.500 . 4.000 2.692 2.492 2.892 . 0 0 "[ . 1 . 2]" 1
867 1 35 LEU HA 1 35 LEU MD1 2.800 . 3.300 1.924 1.890 1.984 . 0 0 "[ . 1 . 2]" 1
868 1 17 TYR QE 1 35 LEU MD1 4.000 . 4.500 3.045 2.553 3.351 . 0 0 "[ . 1 . 2]" 1
869 1 35 LEU MD1 1 38 TYR QD 6.000 . 6.500 2.371 1.926 2.853 . 0 0 "[ . 1 . 2]" 1
870 1 35 LEU MD1 1 86 LEU HA 6.000 . 6.500 4.555 4.128 4.992 . 0 0 "[ . 1 . 2]" 1
871 1 35 LEU MD1 1 89 LEU QB 6.500 . 7.000 3.994 3.565 4.471 . 0 0 "[ . 1 . 2]" 1
872 1 17 TYR QE 1 35 LEU MD2 6.000 . 6.500 3.013 2.798 3.778 . 0 0 "[ . 1 . 2]" 1
873 1 31 VAL HB 1 35 LEU MD2 5.500 . 6.000 3.149 2.573 3.629 . 0 0 "[ . 1 . 2]" 1
874 1 35 LEU HG 1 36 LYS H 4.500 . 5.000 4.952 4.885 5.016 0.016 5 0 "[ . 1 . 2]" 1
875 1 36 LYS H 1 36 LYS QE 5.000 . 5.500 4.653 4.542 4.903 . 0 0 "[ . 1 . 2]" 1
876 1 36 LYS QE 1 40 ARG QB 5.000 . 5.500 3.976 2.493 4.379 . 0 0 "[ . 1 . 2]" 1
877 1 36 LYS QE 1 107 LEU MD2 5.500 . 6.000 4.465 4.460 4.472 . 0 0 "[ . 1 . 2]" 1
878 1 68 ARG HA 1 71 VAL H 4.500 . 5.000 3.602 2.986 3.965 . 0 0 "[ . 1 . 2]" 1
879 1 36 LYS HA 1 36 LYS QE 5.000 . 5.500 3.602 3.032 3.886 . 0 0 "[ . 1 . 2]" 1
880 1 36 LYS HA 1 39 VAL HB 3.000 . 3.500 2.539 2.249 2.958 . 0 0 "[ . 1 . 2]" 1
881 1 68 ARG HA 1 71 VAL MG1 5.000 . 5.500 4.291 3.848 4.590 . 0 0 "[ . 1 . 2]" 1
882 1 36 LYS QB 1 106 LEU MD2 5.000 . 5.500 2.405 1.809 3.815 . 0 0 "[ . 1 . 2]" 1
883 1 13 ALA MB 1 38 TYR HA 3.500 . 4.000 2.174 1.853 2.455 . 0 0 "[ . 1 . 2]" 1
884 1 38 TYR HA 1 41 ALA MB 5.000 . 5.500 2.729 2.397 2.942 . 0 0 "[ . 1 . 2]" 1
885 1 38 TYR HA 1 38 TYR QE 5.500 . 6.000 5.226 5.161 5.345 . 0 0 "[ . 1 . 2]" 1
886 1 10 ARG QD 1 38 TYR QE 6.000 . 6.500 2.842 2.304 3.469 . 0 0 "[ . 1 . 2]" 1
887 1 14 LEU QB 1 38 TYR QE 5.500 . 6.000 3.402 3.017 3.974 . 0 0 "[ . 1 . 2]" 1
888 1 39 VAL HA 1 42 GLU QB 3.500 . 4.000 3.469 3.302 3.573 . 0 0 "[ . 1 . 2]" 1
889 1 39 VAL HA 1 39 VAL MG2 2.800 . 3.300 2.351 2.243 2.428 . 0 0 "[ . 1 . 2]" 1
890 1 39 VAL MG1 1 43 GLN QE 5.000 . 5.500 2.169 1.806 3.055 . 0 0 "[ . 1 . 2]" 1
891 1 39 VAL MG1 1 43 GLN QG 5.500 . 6.000 2.958 2.473 3.687 . 0 0 "[ . 1 . 2]" 1
892 1 40 ARG HA 1 42 GLU H 4.500 . 5.000 4.402 4.203 4.791 . 0 0 "[ . 1 . 2]" 1
893 1 40 ARG HA 1 40 ARG QD 3.500 . 4.000 2.996 2.034 3.568 . 0 0 "[ . 1 . 2]" 1
894 1 41 ALA HA 1 44 LYS H 4.500 . 5.000 3.507 3.317 3.614 . 0 0 "[ . 1 . 2]" 1
895 1 41 ALA HA 1 44 LYS QB 4.500 . 5.000 2.912 2.566 4.024 . 0 0 "[ . 1 . 2]" 1
896 1 10 ARG HA 1 41 ALA MB 3.500 . 4.000 2.782 2.161 3.286 . 0 0 "[ . 1 . 2]" 1
897 1 42 GLU H 1 42 GLU QG 3.500 . 4.000 2.058 1.915 2.514 . 0 0 "[ . 1 . 2]" 1
898 1 48 HIS HA 1 51 LYS QB 3.500 . 4.000 2.739 2.184 3.412 . 0 0 "[ . 1 . 2]" 1
899 1 45 ASP HA 1 48 HIS QB 3.500 . 4.000 2.389 2.067 2.898 . 0 0 "[ . 1 . 2]" 1
900 1 3 GLU HA 1 48 HIS HD2 5.500 . 6.000 5.048 3.856 6.004 0.004 9 0 "[ . 1 . 2]" 1
901 1 49 THR HA 1 49 THR MG 3.500 . 4.000 2.411 2.223 2.509 . 0 0 "[ . 1 . 2]" 1
902 1 50 LEU HA 1 50 LEU MD1 2.800 . 3.300 2.647 2.315 2.771 . 0 0 "[ . 1 . 2]" 1
903 1 50 LEU QB 1 50 LEU MD1 2.800 . 3.300 2.182 2.007 2.255 . 0 0 "[ . 1 . 2]" 1
904 1 107 LEU H 1 107 LEU MD1 3.500 . 4.000 2.720 2.344 3.145 . 0 0 "[ . 1 . 2]" 1
905 1 104 ASP HA 1 107 LEU MD1 3.500 . 4.000 2.419 1.947 3.016 . 0 0 "[ . 1 . 2]" 1
906 1 85 SER HA 1 88 LEU MD1 2.800 . 3.300 1.927 1.838 2.029 . 0 0 "[ . 1 . 2]" 1
907 1 49 THR HB 1 75 LEU MD2 5.000 . 5.500 2.523 2.001 2.942 . 0 0 "[ . 1 . 2]" 1
908 1 49 THR MG 1 75 LEU MD2 4.000 . 4.500 2.655 2.103 3.125 . 0 0 "[ . 1 . 2]" 1
909 1 53 PHE HA 1 56 VAL HB 4.500 . 5.000 4.712 4.158 4.943 . 0 0 "[ . 1 . 2]" 1
910 1 50 LEU HA 1 53 PHE QB 3.000 . 3.500 2.741 2.315 3.021 . 0 0 "[ . 1 . 2]" 1
911 1 54 GLU HA 1 57 ARG QD 4.500 . 5.000 3.435 2.717 4.462 . 0 0 "[ . 1 . 2]" 1
912 1 54 GLU HA 1 57 ARG QB 2.300 . 2.800 2.353 2.110 2.509 . 0 0 "[ . 1 . 2]" 1
913 1 54 GLU HA 1 54 GLU QG 3.000 . 3.500 2.454 2.162 3.146 . 0 0 "[ . 1 . 2]" 1
914 1 56 VAL HA 1 58 MET H 4.500 . 5.000 3.929 3.843 3.982 . 0 0 "[ . 1 . 2]" 1
915 1 56 VAL HA 1 59 VAL HB 4.500 . 5.000 4.699 4.534 4.902 . 0 0 "[ . 1 . 2]" 1
916 1 56 VAL HA 1 64 ALA MB 5.000 . 5.500 4.161 3.894 4.482 . 0 0 "[ . 1 . 2]" 1
917 1 56 VAL HA 1 56 VAL MG2 2.800 . 3.300 2.233 2.117 2.341 . 0 0 "[ . 1 . 2]" 1
918 1 57 ARG HA 1 60 ASP HA 5.500 . 6.000 5.460 5.243 5.675 . 0 0 "[ . 1 . 2]" 1
919 1 57 ARG HA 1 61 PRO QB 5.000 . 5.500 3.984 3.697 4.291 . 0 0 "[ . 1 . 2]" 1
920 1 56 VAL MG1 1 57 ARG HA 4.000 . 4.500 3.345 3.188 3.491 . 0 0 "[ . 1 . 2]" 1
921 1 57 ARG HA 1 57 ARG QG 3.500 . 4.000 2.341 2.062 2.546 . 0 0 "[ . 1 . 2]" 1
922 1 57 ARG QG 1 61 PRO QB 4.500 . 5.000 3.483 3.144 3.977 . 0 0 "[ . 1 . 2]" 1
923 1 55 HIS HA 1 58 MET ME 5.000 . 5.500 2.641 1.827 3.508 . 0 0 "[ . 1 . 2]" 1
924 1 2 VAL HA 1 5 MET ME 5.000 . 5.500 3.620 3.014 4.034 . 0 0 "[ . 1 . 2]" 1
925 1 58 MET H 1 59 VAL MG2 3.500 . 4.000 3.346 3.335 3.364 . 0 0 "[ . 1 . 2]" 1
926 1 56 VAL MG2 1 60 ASP HA 6.000 . 6.500 4.343 4.068 4.575 . 0 0 "[ . 1 . 2]" 1
927 1 59 VAL MG2 1 60 ASP HA 5.000 . 5.500 3.896 3.783 4.018 . 0 0 "[ . 1 . 2]" 1
928 1 59 VAL HA 1 59 VAL MG1 2.800 . 3.300 2.200 2.079 2.362 . 0 0 "[ . 1 . 2]" 1
929 1 56 VAL HA 1 59 VAL MG2 2.800 . 3.300 2.003 1.850 2.259 . 0 0 "[ . 1 . 2]" 1
930 1 59 VAL MG2 1 60 ASP QB 4.500 . 5.000 2.712 2.278 3.123 . 0 0 "[ . 1 . 2]" 1
931 1 56 VAL MG2 1 60 ASP QB 3.500 . 4.000 2.001 1.867 2.268 . 0 0 "[ . 1 . 2]" 1
932 1 56 VAL MG1 1 60 ASP QB 5.000 . 5.500 4.092 4.084 4.102 . 0 0 "[ . 1 . 2]" 1
933 1 61 PRO HA 1 64 ALA H 4.500 . 5.000 3.617 3.515 3.749 . 0 0 "[ . 1 . 2]" 1
934 1 57 ARG HA 1 61 PRO HA 3.000 . 3.500 2.369 2.110 2.583 . 0 0 "[ . 1 . 2]" 1
935 1 61 PRO HA 1 64 ALA MB 2.800 . 3.300 2.316 1.998 2.669 . 0 0 "[ . 1 . 2]" 1
936 1 60 ASP HA 1 61 PRO QD 2.800 . 3.300 2.225 2.174 2.270 . 0 0 "[ . 1 . 2]" 1
937 1 61 PRO HA 1 61 PRO QG 2.800 . 3.300 2.942 2.885 2.965 . 0 0 "[ . 1 . 2]" 1
938 1 76 ARG HA 1 79 TYR H 3.000 . 3.500 3.487 3.374 3.534 0.034 19 0 "[ . 1 . 2]" 1
939 1 62 LYS QG 1 63 LYS H 4.500 . 5.000 4.093 3.856 4.300 . 0 0 "[ . 1 . 2]" 1
940 1 62 LYS HA 1 62 LYS QG 3.000 . 3.500 2.437 2.144 2.937 . 0 0 "[ . 1 . 2]" 1
941 1 62 LYS QE 1 62 LYS QG 3.000 . 3.500 2.195 1.946 2.639 . 0 0 "[ . 1 . 2]" 1
942 1 63 LYS HA 1 66 GLN QB 2.800 . 3.300 2.822 2.351 2.950 . 0 0 "[ . 1 . 2]" 1
943 1 64 ALA HA 1 65 ALA H 4.500 . 5.000 3.510 3.482 3.533 . 0 0 "[ . 1 . 2]" 1
944 1 63 LYS H 1 64 ALA HA 5.500 . 6.000 5.140 4.968 5.309 . 0 0 "[ . 1 . 2]" 1
945 1 64 ALA HA 1 67 ILE HB 4.500 . 5.000 4.700 4.569 4.770 . 0 0 "[ . 1 . 2]" 1
946 1 64 ALA HA 1 67 ILE MD 3.500 . 4.000 2.171 1.933 2.754 . 0 0 "[ . 1 . 2]" 1
947 1 64 ALA MB 1 67 ILE H 5.000 . 5.500 4.597 4.582 4.631 . 0 0 "[ . 1 . 2]" 1
948 1 53 PHE QD 1 64 ALA MB 6.000 . 6.500 4.275 3.230 4.833 . 0 0 "[ . 1 . 2]" 1
949 1 57 ARG HA 1 64 ALA MB 2.800 . 3.300 2.140 1.874 2.509 . 0 0 "[ . 1 . 2]" 1
950 1 57 ARG QD 1 64 ALA MB 5.000 . 5.500 3.503 2.481 4.071 . 0 0 "[ . 1 . 2]" 1
951 1 61 PRO QB 1 64 ALA MB 5.000 . 5.500 3.886 3.659 4.088 . 0 0 "[ . 1 . 2]" 1
952 1 56 VAL MG2 1 64 ALA MB 4.000 . 4.500 2.311 2.074 2.698 . 0 0 "[ . 1 . 2]" 1
953 1 65 ALA HA 1 68 ARG HA 5.000 . 5.500 4.771 4.573 4.992 . 0 0 "[ . 1 . 2]" 1
954 1 65 ALA HA 1 68 ARG QD 3.500 . 4.000 2.202 1.869 3.572 . 0 0 "[ . 1 . 2]" 1
955 1 66 GLN QB 1 67 ILE MG 5.000 . 5.500 2.987 2.759 3.948 . 0 0 "[ . 1 . 2]" 1
956 1 67 ILE H 1 67 ILE MG 2.800 . 3.300 2.249 2.127 2.525 . 0 0 "[ . 1 . 2]" 1
957 1 64 ALA H 1 67 ILE MG 5.000 . 5.500 4.508 4.394 4.598 . 0 0 "[ . 1 . 2]" 1
958 1 67 ILE HA 1 67 ILE MG 2.800 . 3.300 2.407 2.245 2.476 . 0 0 "[ . 1 . 2]" 1
959 1 63 LYS HA 1 67 ILE MG 5.000 . 5.500 3.872 3.642 4.209 . 0 0 "[ . 1 . 2]" 1
960 1 64 ALA HA 1 67 ILE MG 5.000 . 5.500 3.310 3.113 3.620 . 0 0 "[ . 1 . 2]" 1
961 1 63 LYS QE 1 67 ILE MG 4.000 . 4.500 2.254 1.732 3.224 0.068 15 0 "[ . 1 . 2]" 1
962 1 67 ILE MG 1 70 GLN QE 5.000 . 5.500 2.941 1.948 4.085 . 0 0 "[ . 1 . 2]" 1
963 1 66 GLN QG 1 67 ILE MG 5.000 . 5.500 3.805 1.977 4.105 . 0 0 "[ . 1 . 2]" 1
964 1 63 LYS QG 1 67 ILE MG 5.000 . 5.500 3.734 3.571 4.010 . 0 0 "[ . 1 . 2]" 1
965 1 67 ILE MD 1 68 ARG H 5.000 . 5.500 4.355 4.034 4.503 . 0 0 "[ . 1 . 2]" 1
966 1 67 ILE MD 1 70 GLN QE 5.500 . 6.000 3.740 2.730 4.460 . 0 0 "[ . 1 . 2]" 1
967 1 53 PHE QD 1 67 ILE MD 6.000 . 6.500 3.348 2.019 4.208 . 0 0 "[ . 1 . 2]" 1
968 1 52 HIS HD2 1 67 ILE MD 6.000 . 6.500 4.422 3.488 5.413 . 0 0 "[ . 1 . 2]" 1
969 1 67 ILE MD 1 68 ARG HA 5.000 . 5.500 4.509 3.806 4.599 . 0 0 "[ . 1 . 2]" 1
970 1 63 LYS QE 1 67 ILE MD 4.000 . 4.500 3.254 2.808 3.348 . 0 0 "[ . 1 . 2]" 1
971 1 56 VAL MG2 1 67 ILE MD 3.300 . 3.800 2.088 1.850 2.639 . 0 0 "[ . 1 . 2]" 1
972 1 64 ALA HA 1 67 ILE QG 2.800 . 3.300 1.884 1.807 1.942 . 0 0 "[ . 1 . 2]" 1
973 1 68 ARG HA 1 68 ARG QG 3.500 . 4.000 2.232 2.026 2.837 . 0 0 "[ . 1 . 2]" 1
974 1 65 ALA HA 1 68 ARG QB 3.000 . 3.500 2.947 2.312 3.138 . 0 0 "[ . 1 . 2]" 1
975 1 68 ARG QB 1 68 ARG QD 2.800 . 3.300 2.049 1.929 2.139 . 0 0 "[ . 1 . 2]" 1
976 1 69 SER HA 1 72 MET H 4.500 . 5.000 3.584 3.506 3.700 . 0 0 "[ . 1 . 2]" 1
977 1 70 GLN QG 1 71 VAL MG2 4.000 . 4.500 2.445 2.122 2.684 . 0 0 "[ . 1 . 2]" 1
978 1 67 ILE HA 1 70 GLN QB 3.500 . 4.000 2.360 2.039 2.719 . 0 0 "[ . 1 . 2]" 1
979 1 71 VAL HA 1 74 HIS QB . . 3.500 2.396 2.236 2.794 . 0 0 "[ . 1 . 2]" 1
980 1 49 THR MG 1 71 VAL HA 3.500 . 4.000 2.923 2.477 3.350 . 0 0 "[ . 1 . 2]" 1
981 1 71 VAL HA 1 71 VAL MG1 2.800 . 3.300 2.361 2.191 2.454 . 0 0 "[ . 1 . 2]" 1
982 1 49 THR MG 1 74 HIS HD2 3.300 . 3.800 2.864 1.978 3.172 . 0 0 "[ . 1 . 2]" 1
983 1 70 GLN HA 1 73 THR MG 3.500 . 4.000 2.024 1.870 2.452 . 0 0 "[ . 1 . 2]" 1
984 1 70 GLN QG 1 73 THR MG 5.500 . 6.000 3.376 3.167 4.064 . 0 0 "[ . 1 . 2]" 1
985 1 62 LYS QB 1 63 LYS H 2.300 . 2.800 2.344 2.200 2.497 . 0 0 "[ . 1 . 2]" 1
986 1 68 ARG HA 1 71 VAL HB 3.000 . 3.500 2.952 2.395 3.341 . 0 0 "[ . 1 . 2]" 1
987 1 20 ALA MB 1 31 VAL MG1 3.500 . 4.000 1.775 1.713 1.894 0.087 2 0 "[ . 1 . 2]" 1
988 1 71 VAL MG1 1 72 MET ME 6.000 . 6.500 3.951 2.925 4.441 . 0 0 "[ . 1 . 2]" 1
989 1 73 THR HA 1 76 ARG H 3.000 . 3.500 3.294 3.131 3.412 . 0 0 "[ . 1 . 2]" 1
990 1 73 THR HA 1 76 ARG QB 3.500 . 4.000 3.029 2.730 3.605 . 0 0 "[ . 1 . 2]" 1
991 1 73 THR HA 1 76 ARG QG 5.000 . 5.500 2.149 1.939 2.778 . 0 0 "[ . 1 . 2]" 1
992 1 74 HIS HA 1 77 VAL HB 2.300 . 2.800 2.501 2.083 2.798 . 0 0 "[ . 1 . 2]" 1
993 1 49 THR MG 1 75 LEU HA 5.000 . 5.500 3.523 2.756 4.318 . 0 0 "[ . 1 . 2]" 1
994 1 75 LEU HA 1 78 ILE MD 3.500 . 4.000 2.080 1.917 2.397 . 0 0 "[ . 1 . 2]" 1
995 1 46 ARG HA 1 75 LEU MD2 3.500 . 4.000 3.168 2.554 3.344 . 0 0 "[ . 1 . 2]" 1
996 1 46 ARG HA 1 78 ILE MD 3.500 . 4.000 1.892 1.812 2.100 . 0 0 "[ . 1 . 2]" 1
997 1 46 ARG HA 1 50 LEU H 4.500 . 5.000 4.719 4.302 4.849 . 0 0 "[ . 1 . 2]" 1
998 1 46 ARG HA 1 49 THR HB 3.000 . 3.500 3.239 2.875 3.503 0.003 13 0 "[ . 1 . 2]" 1
999 1 46 ARG HA 1 46 ARG QG 3.000 . 3.500 2.353 2.172 3.112 . 0 0 "[ . 1 . 2]" 1
1000 1 103 VAL HA 1 107 LEU MD1 5.000 . 5.500 3.600 3.172 3.837 . 0 0 "[ . 1 . 2]" 1
1001 1 75 LEU MD1 1 76 ARG QD 5.500 . 6.000 3.751 2.664 4.476 . 0 0 "[ . 1 . 2]" 1
1002 1 75 LEU HG 1 76 ARG H 4.500 . 5.000 4.304 3.870 4.931 . 0 0 "[ . 1 . 2]" 1
1003 1 76 ARG QB 1 76 ARG QD 3.000 . 3.500 2.316 2.107 2.784 . 0 0 "[ . 1 . 2]" 1
1004 1 77 VAL HA 1 80 GLU QG 4.500 . 5.000 3.620 3.292 4.208 . 0 0 "[ . 1 . 2]" 1
1005 1 77 VAL HA 1 77 VAL MG2 2.800 . 3.300 2.294 2.234 2.341 . 0 0 "[ . 1 . 2]" 1
1006 1 76 ARG H 1 77 VAL MG2 5.000 . 5.500 4.400 4.210 4.588 . 0 0 "[ . 1 . 2]" 1
1007 1 22 GLN QE 1 92 VAL MG1 6.500 . 7.000 5.194 5.158 5.207 . 0 0 "[ . 1 . 2]" 1
1008 1 92 VAL HA 1 92 VAL MG1 2.800 . 3.300 2.173 2.117 2.324 . 0 0 "[ . 1 . 2]" 1
1009 1 74 HIS HA 1 77 VAL MG2 3.500 . 4.000 2.843 2.539 3.176 . 0 0 "[ . 1 . 2]" 1
1010 1 77 VAL MG2 1 81 ARG QG 4.000 . 4.500 3.361 3.346 3.369 . 0 0 "[ . 1 . 2]" 1
1011 1 78 ILE HA 1 81 ARG QB 3.500 . 4.000 3.330 3.053 3.527 . 0 0 "[ . 1 . 2]" 1
1012 1 78 ILE HA 1 78 ILE QG 3.000 . 3.500 2.000 1.961 2.051 . 0 0 "[ . 1 . 2]" 1
1013 1 78 ILE HA 1 78 ILE MD 3.500 . 4.000 3.286 3.175 3.338 . 0 0 "[ . 1 . 2]" 1
1014 1 75 LEU HA 1 78 ILE HA 5.500 . 6.000 5.487 5.375 5.569 . 0 0 "[ . 1 . 2]" 1
1015 1 75 LEU HA 1 78 ILE HB 3.000 . 3.500 2.935 2.757 3.056 . 0 0 "[ . 1 . 2]" 1
1016 1 46 ARG H 1 78 ILE MG 5.000 . 5.500 3.366 3.092 3.705 . 0 0 "[ . 1 . 2]" 1
1017 1 47 GLN H 1 78 ILE MG 6.000 . 6.500 5.116 4.982 5.430 . 0 0 "[ . 1 . 2]" 1
1018 1 78 ILE MG 1 79 TYR HA 3.500 . 4.000 2.933 2.899 3.023 . 0 0 "[ . 1 . 2]" 1
1019 1 75 LEU HA 1 78 ILE MG 5.000 . 5.500 4.197 3.985 4.346 . 0 0 "[ . 1 . 2]" 1
1020 1 78 ILE HA 1 78 ILE MG 3.500 . 4.000 2.739 2.637 2.845 . 0 0 "[ . 1 . 2]" 1
1021 1 46 ARG QD 1 78 ILE MG 4.000 . 4.500 2.816 1.876 3.341 . 0 0 "[ . 1 . 2]" 1
1022 1 47 GLN H 1 78 ILE MD 5.000 . 5.500 4.457 4.286 4.598 . 0 0 "[ . 1 . 2]" 1
1023 1 45 ASP QB 1 78 ILE MD 4.000 . 4.500 2.365 1.923 2.918 . 0 0 "[ . 1 . 2]" 1
1024 1 46 ARG QB 1 78 ILE MD 4.000 . 4.500 2.926 2.379 3.342 . 0 0 "[ . 1 . 2]" 1
1025 1 78 ILE HB 1 78 ILE MD 2.800 . 3.300 2.050 2.006 2.140 . 0 0 "[ . 1 . 2]" 1
1026 1 38 TYR HA 1 41 ALA H 4.500 . 5.000 3.546 3.453 3.658 . 0 0 "[ . 1 . 2]" 1
1027 1 79 TYR HA 1 82 MET QB 3.500 . 4.000 2.564 2.372 2.703 . 0 0 "[ . 1 . 2]" 1
1028 1 32 PHE QB 1 33 ASN H 3.500 . 4.000 3.345 3.185 3.474 . 0 0 "[ . 1 . 2]" 1
1029 1 78 ILE MG 1 79 TYR QB 3.500 . 4.000 2.968 2.829 2.987 . 0 0 "[ . 1 . 2]" 1
1030 1 42 GLU QB 1 79 TYR QD 6.000 . 6.500 5.076 4.664 5.168 . 0 0 "[ . 1 . 2]" 1
1031 1 79 TYR QE 1 83 ASN QD 6.000 . 6.500 4.281 3.692 5.132 . 0 0 "[ . 1 . 2]" 1
1032 1 102 GLU HA 1 105 GLU H 3.000 . 3.500 3.505 3.462 3.523 0.023 3 0 "[ . 1 . 2]" 1
1033 1 80 GLU HA 1 83 ASN QB 3.500 . 4.000 3.122 2.893 3.465 . 0 0 "[ . 1 . 2]" 1
1034 1 80 GLU HA 1 80 GLU QG 2.800 . 3.300 2.346 2.130 2.713 . 0 0 "[ . 1 . 2]" 1
1035 1 82 MET QG 1 86 LEU H 5.000 . 5.500 4.572 3.931 4.801 . 0 0 "[ . 1 . 2]" 1
1036 1 82 MET ME 1 82 MET QG 3.000 . 3.500 2.318 2.093 2.421 . 0 0 "[ . 1 . 2]" 1
1037 1 82 MET HA 1 82 MET ME 3.500 . 4.000 3.309 3.179 3.343 . 0 0 "[ . 1 . 2]" 1
1038 1 39 VAL MG1 1 82 MET ME 4.000 . 4.500 2.092 1.860 2.621 . 0 0 "[ . 1 . 2]" 1
1039 1 83 ASN HA 1 86 LEU MD1 5.000 . 5.500 2.177 1.966 2.606 . 0 0 "[ . 1 . 2]" 1
1040 1 83 ASN HA 1 86 LEU QB 3.500 . 4.000 3.019 2.693 3.187 . 0 0 "[ . 1 . 2]" 1
1041 1 83 ASN QB 1 86 LEU H 5.000 . 5.500 4.847 4.641 4.909 . 0 0 "[ . 1 . 2]" 1
1042 1 85 SER HA 1 88 LEU H 4.500 . 5.000 3.360 3.231 3.608 . 0 0 "[ . 1 . 2]" 1
1043 1 17 TYR QE 1 85 SER QB 6.000 . 6.500 3.726 3.091 4.379 . 0 0 "[ . 1 . 2]" 1
1044 1 85 SER QB 1 86 LEU HG 5.000 . 5.500 3.618 3.262 4.471 . 0 0 "[ . 1 . 2]" 1
1045 1 86 LEU HA 1 86 LEU HG 3.000 . 3.500 3.100 3.022 3.212 . 0 0 "[ . 1 . 2]" 1
1046 1 88 LEU HA 1 90 TYR H 4.500 . 5.000 4.449 4.326 4.517 . 0 0 "[ . 1 . 2]" 1
1047 1 88 LEU HA 1 91 ASN QB 5.000 . 5.500 4.267 4.189 4.408 . 0 0 "[ . 1 . 2]" 1
1048 1 88 LEU HA 1 88 LEU MD2 3.500 . 4.000 2.141 2.095 2.227 . 0 0 "[ . 1 . 2]" 1
1049 1 21 LEU MD1 1 88 LEU HA 6.000 . 6.500 5.303 5.155 5.411 . 0 0 "[ . 1 . 2]" 1
1050 1 17 TYR QE 1 88 LEU MD1 6.000 . 6.500 3.912 3.470 4.434 . 0 0 "[ . 1 . 2]" 1
1051 1 85 SER HA 1 88 LEU HG 3.000 . 3.500 3.111 2.874 3.484 . 0 0 "[ . 1 . 2]" 1
1052 1 88 LEU HA 1 88 LEU HG 3.000 . 3.500 2.906 2.785 3.009 . 0 0 "[ . 1 . 2]" 1
1053 1 89 LEU HA 1 89 LEU MD2 3.500 . 4.000 2.649 2.603 2.775 . 0 0 "[ . 1 . 2]" 1
1054 1 21 LEU MD1 1 89 LEU HA 3.500 . 4.000 1.983 1.850 2.180 . 0 0 "[ . 1 . 2]" 1
1055 1 90 TYR QB 1 93 PRO HA 5.000 . 5.500 4.936 4.928 4.952 . 0 0 "[ . 1 . 2]" 1
1056 1 91 ASN QB 1 92 VAL MG2 5.000 . 5.500 2.700 2.638 2.816 . 0 0 "[ . 1 . 2]" 1
1057 1 92 VAL MG2 1 96 ALA H 5.000 . 5.500 4.351 4.278 4.443 . 0 0 "[ . 1 . 2]" 1
1058 1 90 TYR H 1 92 VAL MG2 6.000 . 6.500 5.404 5.300 5.426 . 0 0 "[ . 1 . 2]" 1
1059 1 92 VAL MG2 1 95 VAL HB 3.500 . 4.000 3.349 3.343 3.357 . 0 0 "[ . 1 . 2]" 1
1060 1 92 VAL HB 1 95 VAL H 3.000 . 3.500 2.998 2.929 3.031 . 0 0 "[ . 1 . 2]" 1
1061 1 93 PRO HA 1 97 GLU H 4.500 . 5.000 3.857 3.661 3.986 . 0 0 "[ . 1 . 2]" 1
1062 1 93 PRO HA 1 96 ALA H 4.500 . 5.000 3.862 3.746 3.968 . 0 0 "[ . 1 . 2]" 1
1063 1 93 PRO HA 1 95 VAL H 5.500 . 6.000 4.805 4.652 4.886 . 0 0 "[ . 1 . 2]" 1
1064 1 90 TYR HA 1 93 PRO HA 5.000 . 5.500 4.116 3.849 4.260 . 0 0 "[ . 1 . 2]" 1
1065 1 93 PRO HA 1 96 ALA MB 3.500 . 4.000 2.455 2.309 2.540 . 0 0 "[ . 1 . 2]" 1
1066 1 92 VAL HA 1 93 PRO QD 3.000 . 3.500 1.943 1.926 1.969 . 0 0 "[ . 1 . 2]" 1
1067 1 92 VAL MG2 1 93 PRO QD 5.000 . 5.500 3.930 3.890 3.948 . 0 0 "[ . 1 . 2]" 1
1068 1 93 PRO QG 1 94 ALA H 3.500 . 4.000 2.877 2.828 2.927 . 0 0 "[ . 1 . 2]" 1
1069 1 95 VAL HA 1 99 ILE H 4.500 . 5.000 3.756 3.611 3.865 . 0 0 "[ . 1 . 2]" 1
1070 1 94 ALA MB 1 95 VAL HA 5.000 . 5.500 3.804 3.730 3.839 . 0 0 "[ . 1 . 2]" 1
1071 1 95 VAL HA 1 95 VAL MG1 2.800 . 3.300 2.415 2.365 2.447 . 0 0 "[ . 1 . 2]" 1
1072 1 95 VAL H 1 95 VAL MG2 2.800 . 3.300 2.263 2.182 2.342 . 0 0 "[ . 1 . 2]" 1
1073 1 94 ALA MB 1 95 VAL MG2 4.000 . 4.500 2.706 2.638 2.851 . 0 0 "[ . 1 . 2]" 1
1074 1 96 ALA HA 1 99 ILE HB 4.500 . 5.000 4.658 4.568 4.825 . 0 0 "[ . 1 . 2]" 1
1075 1 96 ALA HA 1 99 ILE QG 3.500 . 4.000 2.006 1.900 2.140 . 0 0 "[ . 1 . 2]" 1
1076 1 105 GLU H 1 105 GLU QB 2.800 . 3.300 2.212 2.119 2.302 . 0 0 "[ . 1 . 2]" 1
1077 1 103 VAL HA 1 106 LEU MD1 5.000 . 5.500 4.381 4.175 4.595 . 0 0 "[ . 1 . 2]" 1
1078 1 36 LYS HA 1 106 LEU MD1 3.500 . 4.000 3.231 2.919 3.346 . 0 0 "[ . 1 . 2]" 1
1079 1 36 LYS QE 1 106 LEU MD1 4.000 . 4.500 2.622 1.844 3.346 . 0 0 "[ . 1 . 2]" 1
1080 1 103 VAL HA 1 106 LEU QB 3.500 . 4.000 2.735 2.559 2.819 . 0 0 "[ . 1 . 2]" 1
1081 1 103 VAL MG2 1 106 LEU QB 5.000 . 5.500 4.103 4.095 4.112 . 0 0 "[ . 1 . 2]" 1
1082 1 107 LEU H 1 107 LEU HG 3.000 . 3.500 2.744 2.558 2.920 . 0 0 "[ . 1 . 2]" 1
1083 1 107 LEU HA 1 107 LEU HG 3.000 . 3.500 2.525 2.427 2.671 . 0 0 "[ . 1 . 2]" 1
1084 1 107 LEU HA 1 110 GLU QG 3.500 . 4.000 2.147 1.879 3.388 . 0 0 "[ . 1 . 2]" 1
1085 1 107 LEU HA 1 107 LEU MD2 3.500 . 4.000 2.976 2.618 3.232 . 0 0 "[ . 1 . 2]" 1
1086 1 107 LEU QB 1 107 LEU MD1 2.800 . 3.300 1.927 1.899 2.054 . 0 0 "[ . 1 . 2]" 1
1087 1 108 GLN HA 1 108 GLN QG 3.500 . 4.000 2.887 2.569 3.353 . 0 0 "[ . 1 . 2]" 1
1088 1 108 GLN QE 1 108 GLN QG 2.800 . 3.300 2.252 2.068 2.522 . 0 0 "[ . 1 . 2]" 1
1089 1 109 LYS HA 1 109 LYS QE 5.000 . 5.500 3.976 1.961 4.728 . 0 0 "[ . 1 . 2]" 1
1090 1 109 LYS HA 1 109 LYS QD 3.500 . 4.000 2.919 2.006 3.565 . 0 0 "[ . 1 . 2]" 1
1091 1 109 LYS HA 1 109 LYS QG 3.500 . 4.000 2.532 2.073 3.407 . 0 0 "[ . 1 . 2]" 1
1092 1 109 LYS H 1 109 LYS QB 2.800 . 3.300 2.344 2.115 2.577 . 0 0 "[ . 1 . 2]" 1
1093 1 109 LYS QB 1 110 GLU H 3.500 . 4.000 2.776 2.355 3.554 . 0 0 "[ . 1 . 2]" 1
1094 1 37 LYS H 1 37 LYS QB 3.500 . 4.000 2.841 2.026 3.011 . 0 0 "[ . 1 . 2]" 1
1095 1 109 LYS QB 1 109 LYS QE 4.000 . 4.500 3.163 2.421 3.573 . 0 0 "[ . 1 . 2]" 1
1096 1 110 GLU HA 1 110 GLU QG 3.500 . 4.000 2.818 2.141 3.456 . 0 0 "[ . 1 . 2]" 1
1097 1 100 GLN QG 1 101 ASP H 5.000 . 5.500 4.374 4.270 4.481 . 0 0 "[ . 1 . 2]" 1
1098 1 100 GLN H 1 100 GLN QG 3.000 . 3.500 2.813 2.681 2.908 . 0 0 "[ . 1 . 2]" 1
1099 1 89 LEU MD1 1 100 GLN QG 5.500 . 6.000 2.999 2.746 3.436 . 0 0 "[ . 1 . 2]" 1
1100 1 99 ILE MD 1 100 GLN QG 3.500 . 4.000 1.991 1.867 2.188 . 0 0 "[ . 1 . 2]" 1
1101 1 82 MET H 1 82 MET QB 3.500 . 4.000 2.231 2.172 2.256 . 0 0 "[ . 1 . 2]" 1
1102 1 2 VAL HB 1 3 GLU H 2.800 . 3.300 2.603 2.524 2.693 . 0 0 "[ . 1 . 2]" 1
1103 1 57 ARG QB 1 57 ARG QD 3.000 . 3.500 2.096 1.945 2.370 . 0 0 "[ . 1 . 2]" 1
1104 1 103 VAL HA 1 103 VAL MG2 2.800 . 3.300 2.072 2.007 2.291 . 0 0 "[ . 1 . 2]" 1
1105 1 36 LYS QD 1 106 LEU MD1 4.000 . 4.500 2.373 1.935 3.241 . 0 0 "[ . 1 . 2]" 1
1106 1 33 ASN QD 1 34 MET ME 4.000 . 4.500 2.734 2.466 3.318 . 0 0 "[ . 1 . 2]" 1
1107 1 34 MET HA 1 34 MET ME 3.500 . 4.000 3.038 2.864 3.168 . 0 0 "[ . 1 . 2]" 1
1108 1 33 ASN HA 1 34 MET ME 5.000 . 5.500 4.594 4.590 4.598 . 0 0 "[ . 1 . 2]" 1
1109 1 33 ASN QB 1 34 MET ME 3.500 . 4.000 2.400 2.317 2.486 . 0 0 "[ . 1 . 2]" 1
1110 1 34 MET ME 1 35 LEU MD2 5.500 . 6.000 4.173 4.164 4.182 . 0 0 "[ . 1 . 2]" 1
1111 1 42 GLU HA 1 45 ASP QB 3.000 . 3.500 2.653 2.416 2.897 . 0 0 "[ . 1 . 2]" 1
1112 1 99 ILE HA 1 99 ILE MG 3.500 . 4.000 2.342 2.237 2.401 . 0 0 "[ . 1 . 2]" 1
1113 1 99 ILE HB 1 103 VAL MG2 5.000 . 5.500 2.428 2.252 2.603 . 0 0 "[ . 1 . 2]" 1
1114 1 101 ASP QB 1 102 GLU QG 5.500 . 6.000 3.944 3.833 4.018 . 0 0 "[ . 1 . 2]" 1
1115 1 32 PHE QD 1 102 GLU QG 6.000 . 6.500 3.066 2.449 3.821 . 0 0 "[ . 1 . 2]" 1
1116 1 99 ILE MG 1 102 GLU QG 5.500 . 6.000 3.784 3.638 3.973 . 0 0 "[ . 1 . 2]" 1
1117 1 13 ALA MB 1 38 TYR QB 5.000 . 5.500 1.875 1.777 2.277 0.023 8 0 "[ . 1 . 2]" 1
1118 1 95 VAL HA 1 98 GLU QB 3.500 . 4.000 3.200 3.010 3.582 . 0 0 "[ . 1 . 2]" 1
1119 1 5 MET ME 1 9 ARG QD 5.500 . 6.000 4.091 3.453 4.452 . 0 0 "[ . 1 . 2]" 1
1120 1 2 VAL MG2 1 5 MET ME 5.500 . 6.000 3.814 3.098 4.166 . 0 0 "[ . 1 . 2]" 1
1121 1 58 MET ME 1 59 VAL MG2 6.500 . 7.000 4.421 3.364 4.855 . 0 0 "[ . 1 . 2]" 1
1122 1 89 LEU MD2 1 96 ALA MB 4.000 . 4.500 1.915 1.884 2.064 . 0 0 "[ . 1 . 2]" 1
1123 1 4 ALA HA 1 7 ASN QB 3.000 . 3.500 2.721 2.488 3.064 . 0 0 "[ . 1 . 2]" 1
1124 1 65 ALA MB 1 68 ARG QD 5.500 . 6.000 3.248 2.583 4.186 . 0 0 "[ . 1 . 2]" 1
1125 1 14 LEU HA 1 38 TYR QE 5.500 . 6.000 4.941 4.441 5.191 . 0 0 "[ . 1 . 2]" 1
1126 1 14 LEU MD1 1 17 TYR QD 6.000 . 6.500 2.759 2.412 3.602 . 0 0 "[ . 1 . 2]" 1
1127 1 22 GLN HA 1 22 GLN QG 3.500 . 4.000 2.738 2.291 3.105 . 0 0 "[ . 1 . 2]" 1
1128 1 25 PRO HA 1 26 PRO QD 2.800 . 3.300 1.972 1.792 2.007 0.008 14 0 "[ . 1 . 2]" 1
1129 1 25 PRO HA 1 25 PRO QD 3.500 . 4.000 3.452 3.402 3.480 . 0 0 "[ . 1 . 2]" 1
1130 1 99 ILE HA 1 102 GLU QB 5.000 . 5.500 4.157 3.990 4.390 . 0 0 "[ . 1 . 2]" 1
1131 1 35 LEU MD1 1 38 TYR QE 6.000 . 6.500 2.992 2.285 3.450 . 0 0 "[ . 1 . 2]" 1
1132 1 66 GLN HA 1 67 ILE MG 6.000 . 6.500 4.728 4.592 4.967 . 0 0 "[ . 1 . 2]" 1
1133 1 27 ARG QB 1 30 HIS QB 3.000 . 3.500 1.793 1.704 1.866 0.096 20 0 "[ . 1 . 2]" 1
1134 1 4 ALA MB 1 5 MET QG 4.500 . 5.000 3.268 3.184 3.354 . 0 0 "[ . 1 . 2]" 1
1135 1 97 GLU QB 1 98 GLU H 3.500 . 4.000 2.735 2.373 3.538 . 0 0 "[ . 1 . 2]" 1
1136 1 37 LYS H 1 40 ARG QB 5.500 . 6.000 4.795 4.570 5.282 . 0 0 "[ . 1 . 2]" 1
1137 1 27 ARG QB 1 27 ARG QD 3.000 . 3.500 2.089 1.936 2.318 . 0 0 "[ . 1 . 2]" 1
1138 1 81 ARG QB 1 82 MET H 3.000 . 3.500 2.723 2.609 2.829 . 0 0 "[ . 1 . 2]" 1
1139 1 28 PRO HA 1 95 VAL MG1 5.000 . 5.500 2.765 2.348 3.122 . 0 0 "[ . 1 . 2]" 1
1140 1 107 LEU MD2 1 110 GLU QG 4.000 . 4.500 3.139 2.415 3.345 . 0 0 "[ . 1 . 2]" 1
1141 1 100 GLN HA 1 103 VAL HB 3.000 . 3.500 2.298 2.192 2.358 . 0 0 "[ . 1 . 2]" 1
1142 1 100 GLN HA 1 103 VAL MG1 3.500 . 4.000 3.336 3.318 3.344 . 0 0 "[ . 1 . 2]" 1
1143 1 99 ILE QG 1 102 GLU QG 6.500 . 7.000 4.736 4.560 4.936 . 0 0 "[ . 1 . 2]" 1
1144 1 55 HIS QB 1 58 MET ME 6.500 . 7.000 4.131 3.160 4.884 . 0 0 "[ . 1 . 2]" 1
1145 1 11 ARG QB 1 12 LEU H 2.800 . 3.300 2.375 2.001 2.737 . 0 0 "[ . 1 . 2]" 1
1146 1 8 ASP HA 1 11 ARG QB 3.000 . 3.500 2.517 2.201 2.840 . 0 0 "[ . 1 . 2]" 1
1147 1 12 LEU QB 1 14 LEU H 6.000 . 6.500 5.151 5.048 5.395 . 0 0 "[ . 1 . 2]" 1
1148 1 12 LEU QB 1 16 ASN QD 5.000 . 5.500 2.933 2.626 3.589 . 0 0 "[ . 1 . 2]" 1
1149 1 17 TYR H 1 17 TYR QB 3.000 . 3.500 2.187 2.101 2.447 . 0 0 "[ . 1 . 2]" 1
1150 1 21 LEU H 1 21 LEU HG 3.000 . 3.500 2.908 2.648 3.146 . 0 0 "[ . 1 . 2]" 1
1151 1 21 LEU MD2 1 22 GLN H 6.000 . 6.500 4.547 4.515 4.578 . 0 0 "[ . 1 . 2]" 1
1152 1 24 VAL HA 1 26 PRO QD 3.000 . 3.500 1.944 1.913 1.971 . 0 0 "[ . 1 . 2]" 1
1153 1 27 ARG HA 1 28 PRO QD 2.300 . 2.800 2.059 1.868 2.219 . 0 0 "[ . 1 . 2]" 1
1154 1 27 ARG H 1 27 ARG QD 5.000 . 5.500 4.409 3.999 4.745 . 0 0 "[ . 1 . 2]" 1
1155 1 27 ARG QD 1 30 HIS H 4.500 . 5.000 3.898 3.111 4.459 . 0 0 "[ . 1 . 2]" 1
1156 1 29 ARG QB 1 30 HIS H 3.500 . 4.000 3.529 2.986 3.606 . 0 0 "[ . 1 . 2]" 1
1157 1 37 LYS H 1 37 LYS QD 3.500 . 4.000 3.065 2.182 3.665 . 0 0 "[ . 1 . 2]" 1
1158 1 37 LYS H 1 37 LYS QG 3.500 . 4.000 1.847 1.647 3.576 0.153 15 0 "[ . 1 . 2]" 1
1159 1 40 ARG QB 1 41 ALA H 3.500 . 4.000 3.001 2.891 3.577 . 0 0 "[ . 1 . 2]" 1
1160 1 13 ALA MB 1 41 ALA H 6.000 . 6.500 4.917 4.567 5.164 . 0 0 "[ . 1 . 2]" 1
1161 1 40 ARG QG 1 41 ALA H 5.000 . 5.500 4.476 2.270 4.698 . 0 0 "[ . 1 . 2]" 1
1162 1 99 ILE MD 1 101 ASP H 5.000 . 5.500 4.503 4.435 4.583 . 0 0 "[ . 1 . 2]" 1
1163 1 99 ILE MD 1 103 VAL H 5.000 . 5.500 4.310 4.097 4.505 . 0 0 "[ . 1 . 2]" 1
1164 1 96 ALA HA 1 99 ILE MD 3.500 . 4.000 2.321 2.128 2.528 . 0 0 "[ . 1 . 2]" 1
1165 1 99 ILE HB 1 99 ILE MD 2.800 . 3.300 2.198 2.041 2.259 . 0 0 "[ . 1 . 2]" 1
1166 1 59 VAL HB 1 60 ASP H 3.000 . 3.500 3.497 3.433 3.518 0.018 4 0 "[ . 1 . 2]" 1
1167 1 63 LYS QD 1 65 ALA H 5.000 . 5.500 4.905 4.871 4.922 . 0 0 "[ . 1 . 2]" 1
1168 1 92 VAL HB 1 96 ALA H 4.500 . 5.000 2.766 2.675 2.870 . 0 0 "[ . 1 . 2]" 1
1169 1 98 GLU QB 1 99 ILE H 3.500 . 4.000 2.567 2.327 3.427 . 0 0 "[ . 1 . 2]" 1
1170 1 106 LEU MD1 1 107 LEU H 5.000 . 5.500 3.480 2.891 4.190 . 0 0 "[ . 1 . 2]" 1
1171 1 103 VAL MG1 1 107 LEU H 5.000 . 5.500 4.167 3.786 4.388 . 0 0 "[ . 1 . 2]" 1
1172 1 108 GLN QB 1 109 LYS H 2.800 . 3.300 2.584 2.294 2.985 . 0 0 "[ . 1 . 2]" 1
1173 1 25 PRO HA 1 26 PRO QG 4.500 . 5.000 3.891 3.678 3.920 . 0 0 "[ . 1 . 2]" 1
1174 1 26 PRO QG 1 95 VAL MG2 4.000 . 4.500 2.379 1.959 2.906 . 0 0 "[ . 1 . 2]" 1
1175 1 9 ARG QG 1 10 ARG H 4.500 . 5.000 3.811 2.061 4.462 . 0 0 "[ . 1 . 2]" 1
1176 1 24 VAL MG2 1 26 PRO QD 4.000 . 4.500 3.093 2.998 3.276 . 0 0 "[ . 1 . 2]" 1
1177 1 21 LEU MD1 1 95 VAL HB 6.000 . 6.500 4.652 4.467 4.786 . 0 0 "[ . 1 . 2]" 1
1178 1 14 LEU MD1 1 18 ILE HA 5.000 . 5.500 4.497 4.372 4.596 . 0 0 "[ . 1 . 2]" 1
1179 1 32 PHE QD 1 106 LEU MD2 4.000 . 4.500 1.887 1.794 2.179 0.006 7 0 "[ . 1 . 2]" 1
1180 1 55 HIS HD1 1 59 VAL MG2 5.000 . 5.500 3.411 2.516 4.069 . 0 0 "[ . 1 . 2]" 1
1181 1 53 PHE HA 1 71 VAL HB 4.500 . 5.000 4.866 4.322 5.038 0.038 18 0 "[ . 1 . 2]" 1
1182 1 70 GLN QB 1 71 VAL HA 5.000 . 5.500 4.611 4.588 4.654 . 0 0 "[ . 1 . 2]" 1
1183 1 44 LYS QB 1 44 LYS QE 3.500 . 4.000 2.423 2.035 3.132 . 0 0 "[ . 1 . 2]" 1
1184 1 26 PRO QB 1 95 VAL MG2 5.000 . 5.500 3.040 2.639 3.373 . 0 0 "[ . 1 . 2]" 1
1185 1 62 LYS H 1 62 LYS QE 5.000 . 5.500 4.177 2.190 4.863 . 0 0 "[ . 1 . 2]" 1
1186 1 33 ASN QD 1 37 LYS QE 5.000 . 5.500 2.657 1.920 3.920 . 0 0 "[ . 1 . 2]" 1
1187 1 49 THR MG 1 75 LEU HG 3.500 . 4.000 2.475 1.913 3.353 . 0 0 "[ . 1 . 2]" 1
1188 1 28 PRO HA 1 99 ILE MG 3.500 . 4.000 2.138 1.835 2.408 . 0 0 "[ . 1 . 2]" 1
1189 1 32 PHE QB 1 99 ILE MG 5.000 . 5.500 3.302 2.834 3.687 . 0 0 "[ . 1 . 2]" 1
1190 1 15 GLU HA 1 18 ILE QG 3.500 . 4.000 2.927 2.509 3.030 . 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 162
_Distance_constraint_stats_list.Viol_count 468
_Distance_constraint_stats_list.Viol_total 140.101
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0073
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0150
_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 1 ARG 0.014 0.004 15 0 "[ . 1 . 2]"
1 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.006 0.003 19 0 "[ . 1 . 2]"
1 4 ALA 0.008 0.004 20 0 "[ . 1 . 2]"
1 5 MET 0.014 0.004 15 0 "[ . 1 . 2]"
1 6 LEU 0.074 0.017 20 0 "[ . 1 . 2]"
1 7 ASN 0.006 0.003 19 0 "[ . 1 . 2]"
1 8 ASP 0.008 0.004 20 0 "[ . 1 . 2]"
1 9 ARG 0.014 0.007 6 0 "[ . 1 . 2]"
1 10 ARG 0.074 0.017 20 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.041 0.016 10 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.055 0.018 10 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 0.027 0.016 10 0 "[ . 1 . 2]"
1 18 ILE 0.029 0.012 16 0 "[ . 1 . 2]"
1 19 THR 0.059 0.018 10 0 "[ . 1 . 2]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.029 0.012 16 0 "[ . 1 . 2]"
1 23 ALA 0.004 0.004 9 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 0.231 0.030 17 0 "[ . 1 . 2]"
1 30 HIS 0.756 0.053 5 0 "[ . 1 . 2]"
1 31 VAL 0.045 0.012 1 0 "[ . 1 . 2]"
1 32 PHE 0.275 0.030 17 0 "[ . 1 . 2]"
1 33 ASN 0.098 0.022 3 0 "[ . 1 . 2]"
1 34 MET 0.756 0.053 5 0 "[ . 1 . 2]"
1 35 LEU 0.045 0.012 1 0 "[ . 1 . 2]"
1 36 LYS 0.048 0.019 20 0 "[ . 1 . 2]"
1 37 LYS 0.126 0.022 3 0 "[ . 1 . 2]"
1 38 TYR 0.145 0.022 20 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ARG 0.077 0.013 1 0 "[ . 1 . 2]"
1 41 ALA 0.035 0.011 18 0 "[ . 1 . 2]"
1 42 GLU 0.145 0.022 20 0 "[ . 1 . 2]"
1 43 GLN 0.013 0.008 11 0 "[ . 1 . 2]"
1 44 LYS 0.073 0.013 1 0 "[ . 1 . 2]"
1 45 ASP 0.013 0.007 9 0 "[ . 1 . 2]"
1 46 ARG 0.171 0.031 10 0 "[ . 1 . 2]"
1 47 GLN 0.165 0.031 18 0 "[ . 1 . 2]"
1 48 HIS 0.013 0.010 13 0 "[ . 1 . 2]"
1 49 THR 0.006 0.006 11 0 "[ . 1 . 2]"
1 50 LEU 0.262 0.031 10 0 "[ . 1 . 2]"
1 51 LYS 0.152 0.031 18 0 "[ . 1 . 2]"
1 52 HIS 0.014 0.010 13 0 "[ . 1 . 2]"
1 53 PHE 0.228 0.039 6 0 "[ . 1 . 2]"
1 54 GLU 0.115 0.021 15 0 "[ . 1 . 2]"
1 55 HIS 0.096 0.027 8 0 "[ . 1 . 2]"
1 56 VAL 0.001 0.001 18 0 "[ . 1 . 2]"
1 57 ARG 0.228 0.039 6 0 "[ . 1 . 2]"
1 58 MET 0.024 0.010 18 0 "[ . 1 . 2]"
1 59 VAL 0.096 0.027 8 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PRO 0.226 0.022 1 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 0.226 0.022 1 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ARG 0.021 0.014 19 0 "[ . 1 . 2]"
1 69 SER 0.024 0.013 8 0 "[ . 1 . 2]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.585 0.060 15 0 "[ . 1 . 2]"
1 72 MET 0.021 0.014 19 0 "[ . 1 . 2]"
1 73 THR 0.024 0.013 8 0 "[ . 1 . 2]"
1 74 HIS 0.004 0.004 11 0 "[ . 1 . 2]"
1 75 LEU 1.272 0.060 15 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ILE 0.245 0.020 18 0 "[ . 1 . 2]"
1 79 TYR 0.957 0.059 10 0 "[ . 1 . 2]"
1 80 GLU 0.283 0.045 8 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 MET 0.442 0.024 15 0 "[ . 1 . 2]"
1 83 ASN 0.348 0.030 15 0 "[ . 1 . 2]"
1 84 GLN 0.368 0.045 8 0 "[ . 1 . 2]"
1 85 SER 0.035 0.016 8 0 "[ . 1 . 2]"
1 86 LEU 0.201 0.024 15 0 "[ . 1 . 2]"
1 87 SER 0.982 0.061 13 0 "[ . 1 . 2]"
1 88 LEU 0.085 0.015 8 0 "[ . 1 . 2]"
1 89 LEU 0.035 0.016 8 0 "[ . 1 . 2]"
1 90 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASN 0.904 0.061 13 0 "[ . 1 . 2]"
1 92 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PRO 0.100 0.012 1 0 "[ . 1 . 2]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLU 0.106 0.012 1 0 "[ . 1 . 2]"
1 98 GLU 0.320 0.034 7 0 "[ . 1 . 2]"
1 99 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ASP 0.219 0.017 2 0 "[ . 1 . 2]"
1 102 GLU 0.344 0.034 7 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ASP 0.242 0.023 8 0 "[ . 1 . 2]"
1 105 GLU 0.213 0.017 2 0 "[ . 1 . 2]"
1 106 LEU 0.024 0.014 15 0 "[ . 1 . 2]"
1 107 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLN 0.242 0.023 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ARG O 1 5 MET H 2.000 . 2.500 2.443 2.287 2.504 0.004 15 0 "[ . 1 . 2]" 2
2 1 2 VAL O 1 6 LEU H 2.000 . 2.500 2.107 1.842 2.323 . 0 0 "[ . 1 . 2]" 2
3 1 3 GLU O 1 7 ASN H 2.000 . 2.500 2.401 2.193 2.503 0.003 19 0 "[ . 1 . 2]" 2
4 1 4 ALA O 1 8 ASP H 2.000 . 2.500 2.245 1.986 2.504 0.004 20 0 "[ . 1 . 2]" 2
5 1 5 MET O 1 9 ARG H 2.000 . 2.500 2.173 1.861 2.463 . 0 0 "[ . 1 . 2]" 2
6 1 6 LEU O 1 10 ARG H 2.000 . 2.500 2.440 2.311 2.517 0.017 20 0 "[ . 1 . 2]" 2
7 1 7 ASN O 1 11 ARG H 2.000 . 2.500 1.723 1.631 2.006 . 0 0 "[ . 1 . 2]" 2
8 1 8 ASP O 1 12 LEU H 2.000 . 2.500 1.836 1.738 1.955 . 0 0 "[ . 1 . 2]" 2
9 1 9 ARG O 1 13 ALA H 2.000 . 2.500 2.465 2.362 2.507 0.007 6 0 "[ . 1 . 2]" 2
10 1 10 ARG O 1 14 LEU H 2.000 . 2.500 1.896 1.748 2.131 . 0 0 "[ . 1 . 2]" 2
11 1 11 ARG O 1 15 GLU H 2.000 . 2.500 1.690 1.594 1.798 . 0 0 "[ . 1 . 2]" 2
12 1 12 LEU O 1 16 ASN H 2.000 . 2.500 2.006 1.869 2.254 . 0 0 "[ . 1 . 2]" 2
13 1 13 ALA O 1 17 TYR H 2.000 . 2.500 2.301 2.089 2.516 0.016 10 0 "[ . 1 . 2]" 2
14 1 14 LEU O 1 18 ILE H 2.000 . 2.500 2.122 2.012 2.257 . 0 0 "[ . 1 . 2]" 2
15 1 15 GLU O 1 19 THR H 2.000 . 2.500 2.455 2.282 2.518 0.018 10 0 "[ . 1 . 2]" 2
16 1 17 TYR O 1 21 LEU H 2.000 . 2.500 2.230 1.988 2.450 . 0 0 "[ . 1 . 2]" 2
17 1 18 ILE O 1 22 GLN H 2.000 . 2.500 2.350 2.116 2.512 0.012 16 0 "[ . 1 . 2]" 2
18 1 19 THR O 1 23 ALA H 2.000 . 2.500 2.246 1.979 2.504 0.004 9 0 "[ . 1 . 2]" 2
19 1 27 ARG O 1 31 VAL H 2.000 . 2.500 1.689 1.616 1.781 . 0 0 "[ . 1 . 2]" 2
20 1 28 PRO O 1 32 PHE H 2.000 . 2.500 2.512 2.499 2.530 0.030 17 0 "[ . 1 . 2]" 2
21 1 30 HIS O 1 34 MET H 2.000 . 2.500 2.538 2.520 2.553 0.053 5 0 "[ . 1 . 2]" 2
22 1 31 VAL O 1 35 LEU H 2.000 . 2.500 2.304 1.867 2.512 0.012 1 0 "[ . 1 . 2]" 2
23 1 32 PHE O 1 36 LYS H 2.000 . 2.500 2.417 1.884 2.519 0.019 20 0 "[ . 1 . 2]" 2
24 1 33 ASN O 1 37 LYS H 2.000 . 2.500 2.464 2.087 2.522 0.022 3 0 "[ . 1 . 2]" 2
25 1 34 MET O 1 38 TYR H 2.000 . 2.500 2.015 1.731 2.317 . 0 0 "[ . 1 . 2]" 2
26 1 35 LEU O 1 39 VAL H 2.000 . 2.500 1.786 1.667 2.057 . 0 0 "[ . 1 . 2]" 2
27 1 36 LYS O 1 40 ARG H 2.000 . 2.500 2.043 1.621 2.503 0.003 5 0 "[ . 1 . 2]" 2
28 1 37 LYS O 1 41 ALA H 2.000 . 2.500 2.379 2.180 2.511 0.011 18 0 "[ . 1 . 2]" 2
29 1 38 TYR O 1 42 GLU H 2.000 . 2.500 2.467 2.203 2.522 0.022 20 0 "[ . 1 . 2]" 2
30 1 39 VAL O 1 43 GLN H 2.000 . 2.500 2.215 2.011 2.403 . 0 0 "[ . 1 . 2]" 2
31 1 40 ARG O 1 44 LYS H 2.000 . 2.500 2.448 2.184 2.513 0.013 1 0 "[ . 1 . 2]" 2
32 1 41 ALA O 1 45 ASP H 2.000 . 2.500 2.345 2.154 2.507 0.007 9 0 "[ . 1 . 2]" 2
33 1 42 GLU O 1 46 ARG H 2.000 . 2.500 2.110 1.799 2.473 . 0 0 "[ . 1 . 2]" 2
34 1 43 GLN O 1 47 GLN H 2.000 . 2.500 2.266 1.969 2.508 0.008 11 0 "[ . 1 . 2]" 2
35 1 45 ASP O 1 49 THR H 2.000 . 2.500 2.191 1.897 2.506 0.006 11 0 "[ . 1 . 2]" 2
36 1 46 ARG O 1 50 LEU H 2.000 . 2.500 2.483 2.192 2.531 0.031 10 0 "[ . 1 . 2]" 2
37 1 47 GLN O 1 51 LYS H 2.000 . 2.500 2.417 2.050 2.531 0.031 18 0 "[ . 1 . 2]" 2
38 1 48 HIS O 1 52 HIS H 2.000 . 2.500 2.106 1.686 2.510 0.010 13 0 "[ . 1 . 2]" 2
39 1 49 THR O 1 53 PHE H 2.000 . 2.500 2.289 1.973 2.499 . 0 0 "[ . 1 . 2]" 2
40 1 50 LEU O 1 54 GLU H 2.000 . 2.500 2.394 2.032 2.521 0.021 15 0 "[ . 1 . 2]" 2
41 1 51 LYS O 1 55 HIS H 2.000 . 2.500 1.748 1.646 1.959 . 0 0 "[ . 1 . 2]" 2
42 1 52 HIS O 1 56 VAL H 2.000 . 2.500 1.855 1.659 2.501 0.001 18 0 "[ . 1 . 2]" 2
43 1 53 PHE O 1 57 ARG H 2.000 . 2.500 2.475 2.119 2.539 0.039 6 0 "[ . 1 . 2]" 2
44 1 54 GLU O 1 58 MET H 2.000 . 2.500 2.418 2.200 2.510 0.010 18 0 "[ . 1 . 2]" 2
45 1 55 HIS O 1 59 VAL H 2.000 . 2.500 2.424 1.990 2.527 0.027 8 0 "[ . 1 . 2]" 2
46 1 56 VAL O 1 60 ASP H 2.000 . 2.500 1.753 1.673 1.816 . 0 0 "[ . 1 . 2]" 2
47 1 61 PRO O 1 65 ALA H 2.000 . 2.500 2.511 2.504 2.522 0.022 1 0 "[ . 1 . 2]" 2
48 1 63 LYS O 1 67 ILE H 2.000 . 2.500 1.977 1.694 2.137 . 0 0 "[ . 1 . 2]" 2
49 1 67 ILE O 1 71 VAL H 2.000 . 2.500 1.658 1.513 1.898 . 0 0 "[ . 1 . 2]" 2
50 1 68 ARG O 1 72 MET H 2.000 . 2.500 2.120 1.693 2.514 0.014 19 0 "[ . 1 . 2]" 2
51 1 69 SER O 1 73 THR H 2.000 . 2.500 2.325 2.077 2.513 0.013 8 0 "[ . 1 . 2]" 2
52 1 70 GLN O 1 74 HIS H 2.000 . 2.500 2.274 2.011 2.487 . 0 0 "[ . 1 . 2]" 2
53 1 71 VAL O 1 75 LEU H 2.000 . 2.500 2.527 2.457 2.560 0.060 15 0 "[ . 1 . 2]" 2
54 1 72 MET O 1 76 ARG H 2.000 . 2.500 2.326 2.153 2.488 . 0 0 "[ . 1 . 2]" 2
55 1 73 THR O 1 77 VAL H 2.000 . 2.500 1.794 1.714 1.928 . 0 0 "[ . 1 . 2]" 2
56 1 74 HIS O 1 78 ILE H 2.000 . 2.500 2.323 2.130 2.504 0.004 11 0 "[ . 1 . 2]" 2
57 1 75 LEU O 1 79 TYR H 2.000 . 2.500 2.534 2.505 2.559 0.059 10 0 "[ . 1 . 2]" 2
58 1 76 ARG O 1 80 GLU H 2.000 . 2.500 1.604 1.552 1.737 . 0 0 "[ . 1 . 2]" 2
59 1 77 VAL O 1 81 ARG H 2.000 . 2.500 1.732 1.668 1.826 . 0 0 "[ . 1 . 2]" 2
60 1 78 ILE O 1 82 MET H 2.000 . 2.500 2.512 2.501 2.520 0.020 18 0 "[ . 1 . 2]" 2
61 1 79 TYR O 1 83 ASN H 2.000 . 2.500 2.513 2.500 2.530 0.030 15 0 "[ . 1 . 2]" 2
62 1 80 GLU O 1 84 GLN H 2.000 . 2.500 2.510 2.444 2.545 0.045 8 0 "[ . 1 . 2]" 2
63 1 81 ARG O 1 85 SER H 2.000 . 2.500 2.255 2.023 2.417 . 0 0 "[ . 1 . 2]" 2
64 1 82 MET O 1 86 LEU H 2.000 . 2.500 2.470 1.989 2.524 0.024 15 0 "[ . 1 . 2]" 2
65 1 83 ASN O 1 87 SER H 2.000 . 2.500 2.457 2.206 2.516 0.016 7 0 "[ . 1 . 2]" 2
66 1 84 GLN O 1 88 LEU H 2.000 . 2.500 2.389 1.982 2.515 0.015 8 0 "[ . 1 . 2]" 2
67 1 85 SER O 1 89 LEU H 2.000 . 2.500 2.343 2.125 2.516 0.016 8 0 "[ . 1 . 2]" 2
68 1 86 LEU O 1 90 TYR H 2.000 . 2.500 1.806 1.661 2.051 . 0 0 "[ . 1 . 2]" 2
69 1 87 SER O 1 91 ASN H 2.000 . 2.500 2.545 2.509 2.561 0.061 13 0 "[ . 1 . 2]" 2
70 1 92 VAL O 1 96 ALA H 2.000 . 2.500 1.626 1.609 1.652 . 0 0 "[ . 1 . 2]" 2
71 1 93 PRO O 1 97 GLU H 2.000 . 2.500 2.497 2.340 2.512 0.012 1 0 "[ . 1 . 2]" 2
72 1 95 VAL O 1 99 ILE H 2.000 . 2.500 1.786 1.698 1.839 . 0 0 "[ . 1 . 2]" 2
73 1 96 ALA O 1 100 GLN H 2.000 . 2.500 2.112 2.008 2.311 . 0 0 "[ . 1 . 2]" 2
74 1 97 GLU O 1 101 ASP H 2.000 . 2.500 2.234 2.025 2.506 0.006 15 0 "[ . 1 . 2]" 2
75 1 98 GLU O 1 102 GLU H 2.000 . 2.500 2.516 2.503 2.534 0.034 7 0 "[ . 1 . 2]" 2
76 1 99 ILE O 1 103 VAL H 2.000 . 2.500 1.683 1.643 1.743 . 0 0 "[ . 1 . 2]" 2
77 1 100 GLN O 1 104 ASP H 2.000 . 2.500 1.897 1.728 2.121 . 0 0 "[ . 1 . 2]" 2
78 1 101 ASP O 1 105 GLU H 2.000 . 2.500 2.511 2.504 2.517 0.017 2 0 "[ . 1 . 2]" 2
79 1 102 GLU O 1 106 LEU H 2.000 . 2.500 2.277 2.049 2.514 0.014 15 0 "[ . 1 . 2]" 2
80 1 103 VAL O 1 107 LEU H 2.000 . 2.500 2.296 1.978 2.479 . 0 0 "[ . 1 . 2]" 2
81 1 104 ASP O 1 108 GLN H 2.000 . 2.500 2.485 2.306 2.523 0.023 8 0 "[ . 1 . 2]" 2
82 1 1 ARG O 1 5 MET N 3.000 2.300 3.500 3.259 3.106 3.344 . 0 0 "[ . 1 . 2]" 2
83 1 2 VAL O 1 6 LEU N 3.000 2.300 3.500 3.008 2.801 3.190 . 0 0 "[ . 1 . 2]" 2
84 1 3 GLU O 1 7 ASN N 3.000 2.300 3.500 3.284 3.071 3.416 . 0 0 "[ . 1 . 2]" 2
85 1 4 ALA O 1 8 ASP N 3.000 2.300 3.500 3.153 2.910 3.452 . 0 0 "[ . 1 . 2]" 2
86 1 5 MET O 1 9 ARG N 3.000 2.300 3.500 3.131 2.839 3.428 . 0 0 "[ . 1 . 2]" 2
87 1 6 LEU O 1 10 ARG N 3.000 2.300 3.500 3.233 3.077 3.340 . 0 0 "[ . 1 . 2]" 2
88 1 7 ASN O 1 11 ARG N 3.000 2.300 3.500 2.653 2.535 2.967 . 0 0 "[ . 1 . 2]" 2
89 1 8 ASP O 1 12 LEU N 3.000 2.300 3.500 2.778 2.688 2.882 . 0 0 "[ . 1 . 2]" 2
90 1 9 ARG O 1 13 ALA N 3.000 2.300 3.500 3.246 3.158 3.340 . 0 0 "[ . 1 . 2]" 2
91 1 10 ARG O 1 14 LEU N 3.000 2.300 3.500 2.784 2.638 2.996 . 0 0 "[ . 1 . 2]" 2
92 1 11 ARG O 1 15 GLU N 3.000 2.300 3.500 2.654 2.562 2.766 . 0 0 "[ . 1 . 2]" 2
93 1 12 LEU O 1 16 ASN N 3.000 2.300 3.500 2.726 2.601 2.968 . 0 0 "[ . 1 . 2]" 2
94 1 13 ALA O 1 17 TYR N 3.000 2.300 3.500 3.239 3.035 3.444 . 0 0 "[ . 1 . 2]" 2
95 1 14 LEU O 1 18 ILE N 3.000 2.300 3.500 3.043 2.942 3.173 . 0 0 "[ . 1 . 2]" 2
96 1 15 GLU O 1 19 THR N 3.000 2.300 3.500 3.237 3.044 3.313 . 0 0 "[ . 1 . 2]" 2
97 1 17 TYR O 1 21 LEU N 3.000 2.300 3.500 3.044 2.797 3.255 . 0 0 "[ . 1 . 2]" 2
98 1 18 ILE O 1 22 GLN N 3.000 2.300 3.500 3.239 3.021 3.427 . 0 0 "[ . 1 . 2]" 2
99 1 19 THR O 1 23 ALA N 3.000 2.300 3.500 2.907 2.646 3.139 . 0 0 "[ . 1 . 2]" 2
100 1 27 ARG O 1 31 VAL N 3.000 2.300 3.500 2.657 2.590 2.742 . 0 0 "[ . 1 . 2]" 2
101 1 28 PRO O 1 32 PHE N 3.000 2.300 3.500 3.355 3.308 3.420 . 0 0 "[ . 1 . 2]" 2
102 1 30 HIS O 1 34 MET N 3.000 2.300 3.500 3.464 3.434 3.490 . 0 0 "[ . 1 . 2]" 2
103 1 31 VAL O 1 35 LEU N 3.000 2.300 3.500 3.183 2.839 3.384 . 0 0 "[ . 1 . 2]" 2
104 1 32 PHE O 1 36 LYS N 3.000 2.300 3.500 3.349 2.818 3.457 . 0 0 "[ . 1 . 2]" 2
105 1 33 ASN O 1 37 LYS N 3.000 2.300 3.500 3.335 2.905 3.440 . 0 0 "[ . 1 . 2]" 2
106 1 34 MET O 1 38 TYR N 3.000 2.300 3.500 2.972 2.673 3.282 . 0 0 "[ . 1 . 2]" 2
107 1 35 LEU O 1 39 VAL N 3.000 2.300 3.500 2.699 2.563 2.952 . 0 0 "[ . 1 . 2]" 2
108 1 36 LYS O 1 40 ARG N 3.000 2.300 3.500 2.968 2.572 3.344 . 0 0 "[ . 1 . 2]" 2
109 1 37 LYS O 1 41 ALA N 3.000 2.300 3.500 3.150 2.945 3.299 . 0 0 "[ . 1 . 2]" 2
110 1 38 TYR O 1 42 GLU N 3.000 2.300 3.500 3.333 3.147 3.393 . 0 0 "[ . 1 . 2]" 2
111 1 39 VAL O 1 43 GLN N 3.000 2.300 3.500 3.153 2.986 3.351 . 0 0 "[ . 1 . 2]" 2
112 1 40 ARG O 1 44 LYS N 3.000 2.300 3.500 3.327 3.095 3.475 . 0 0 "[ . 1 . 2]" 2
113 1 41 ALA O 1 45 ASP N 3.000 2.300 3.500 3.168 2.957 3.311 . 0 0 "[ . 1 . 2]" 2
114 1 42 GLU O 1 46 ARG N 3.000 2.300 3.500 3.024 2.742 3.381 . 0 0 "[ . 1 . 2]" 2
115 1 43 GLN O 1 47 GLN N 3.000 2.300 3.500 3.211 2.906 3.472 . 0 0 "[ . 1 . 2]" 2
116 1 45 ASP O 1 49 THR N 3.000 2.300 3.500 3.021 2.756 3.380 . 0 0 "[ . 1 . 2]" 2
117 1 46 ARG O 1 50 LEU N 3.000 2.300 3.500 3.391 3.144 3.462 . 0 0 "[ . 1 . 2]" 2
118 1 47 GLN O 1 51 LYS N 3.000 2.300 3.500 3.342 2.966 3.491 . 0 0 "[ . 1 . 2]" 2
119 1 48 HIS O 1 52 HIS N 3.000 2.300 3.500 3.015 2.589 3.440 . 0 0 "[ . 1 . 2]" 2
120 1 49 THR O 1 53 PHE N 3.000 2.300 3.500 3.173 2.756 3.396 . 0 0 "[ . 1 . 2]" 2
121 1 50 LEU O 1 54 GLU N 3.000 2.300 3.500 3.337 2.967 3.468 . 0 0 "[ . 1 . 2]" 2
122 1 51 LYS O 1 55 HIS N 3.000 2.300 3.500 2.659 2.566 2.822 . 0 0 "[ . 1 . 2]" 2
123 1 52 HIS O 1 56 VAL N 3.000 2.300 3.500 2.795 2.576 3.412 . 0 0 "[ . 1 . 2]" 2
124 1 53 PHE O 1 57 ARG N 3.000 2.300 3.500 3.184 2.856 3.270 . 0 0 "[ . 1 . 2]" 2
125 1 54 GLU O 1 58 MET N 3.000 2.300 3.500 3.082 2.878 3.213 . 0 0 "[ . 1 . 2]" 2
126 1 55 HIS O 1 59 VAL N 3.000 2.300 3.500 3.226 2.967 3.333 . 0 0 "[ . 1 . 2]" 2
127 1 56 VAL O 1 60 ASP N 3.000 2.300 3.500 2.538 2.505 2.593 . 0 0 "[ . 1 . 2]" 2
128 1 61 PRO O 1 65 ALA N 3.000 2.300 3.500 3.331 3.260 3.414 . 0 0 "[ . 1 . 2]" 2
129 1 63 LYS O 1 67 ILE N 3.000 2.300 3.500 2.834 2.595 2.958 . 0 0 "[ . 1 . 2]" 2
130 1 67 ILE O 1 71 VAL N 3.000 2.300 3.500 2.610 2.474 2.842 . 0 0 "[ . 1 . 2]" 2
131 1 68 ARG O 1 72 MET N 3.000 2.300 3.500 2.964 2.540 3.350 . 0 0 "[ . 1 . 2]" 2
132 1 69 SER O 1 73 THR N 3.000 2.300 3.500 3.271 3.010 3.455 . 0 0 "[ . 1 . 2]" 2
133 1 70 GLN O 1 74 HIS N 3.000 2.300 3.500 3.090 2.897 3.293 . 0 0 "[ . 1 . 2]" 2
134 1 71 VAL O 1 75 LEU N 3.000 2.300 3.500 3.395 3.289 3.453 . 0 0 "[ . 1 . 2]" 2
135 1 72 MET O 1 76 ARG N 3.000 2.300 3.500 3.286 3.115 3.445 . 0 0 "[ . 1 . 2]" 2
136 1 73 THR O 1 77 VAL N 3.000 2.300 3.500 2.674 2.556 2.802 . 0 0 "[ . 1 . 2]" 2
137 1 74 HIS O 1 78 ILE N 3.000 2.300 3.500 3.166 2.955 3.297 . 0 0 "[ . 1 . 2]" 2
138 1 75 LEU O 1 79 TYR N 3.000 2.300 3.500 3.478 3.447 3.502 0.002 10 0 "[ . 1 . 2]" 2
139 1 76 ARG O 1 80 GLU N 3.000 2.300 3.500 2.539 2.488 2.606 . 0 0 "[ . 1 . 2]" 2
140 1 77 VAL O 1 81 ARG N 3.000 2.300 3.500 2.646 2.578 2.732 . 0 0 "[ . 1 . 2]" 2
141 1 78 ILE O 1 82 MET N 3.000 2.300 3.500 3.327 3.262 3.389 . 0 0 "[ . 1 . 2]" 2
142 1 79 TYR O 1 83 ASN N 3.000 2.300 3.500 3.311 3.288 3.346 . 0 0 "[ . 1 . 2]" 2
143 1 80 GLU O 1 84 GLN N 3.000 2.300 3.500 3.344 3.256 3.415 . 0 0 "[ . 1 . 2]" 2
144 1 81 ARG O 1 85 SER N 3.000 2.300 3.500 3.151 2.943 3.295 . 0 0 "[ . 1 . 2]" 2
145 1 82 MET O 1 86 LEU N 3.000 2.300 3.500 3.379 2.924 3.456 . 0 0 "[ . 1 . 2]" 2
146 1 83 ASN O 1 87 SER N 3.000 2.300 3.500 3.292 3.029 3.425 . 0 0 "[ . 1 . 2]" 2
147 1 84 GLN O 1 88 LEU N 3.000 2.300 3.500 3.259 2.888 3.394 . 0 0 "[ . 1 . 2]" 2
148 1 85 SER O 1 89 LEU N 3.000 2.300 3.500 3.244 3.013 3.446 . 0 0 "[ . 1 . 2]" 2
149 1 86 LEU O 1 90 TYR N 3.000 2.300 3.500 2.639 2.563 2.853 . 0 0 "[ . 1 . 2]" 2
150 1 87 SER O 1 91 ASN N 3.000 2.300 3.500 3.242 3.136 3.289 . 0 0 "[ . 1 . 2]" 2
151 1 92 VAL O 1 96 ALA N 3.000 2.300 3.500 2.580 2.560 2.604 . 0 0 "[ . 1 . 2]" 2
152 1 93 PRO O 1 97 GLU N 3.000 2.300 3.500 3.308 3.156 3.359 . 0 0 "[ . 1 . 2]" 2
153 1 95 VAL O 1 99 ILE N 3.000 2.300 3.500 2.757 2.673 2.817 . 0 0 "[ . 1 . 2]" 2
154 1 96 ALA O 1 100 GLN N 3.000 2.300 3.500 2.927 2.815 3.108 . 0 0 "[ . 1 . 2]" 2
155 1 97 GLU O 1 101 ASP N 3.000 2.300 3.500 3.148 2.978 3.390 . 0 0 "[ . 1 . 2]" 2
156 1 98 GLU O 1 102 GLU N 3.000 2.300 3.500 3.479 3.449 3.501 0.001 7 0 "[ . 1 . 2]" 2
157 1 99 ILE O 1 103 VAL N 3.000 2.300 3.500 2.576 2.537 2.638 . 0 0 "[ . 1 . 2]" 2
158 1 100 GLN O 1 104 ASP N 3.000 2.300 3.500 2.836 2.662 3.071 . 0 0 "[ . 1 . 2]" 2
159 1 101 ASP O 1 105 GLU N 3.000 2.300 3.500 3.322 3.232 3.391 . 0 0 "[ . 1 . 2]" 2
160 1 102 GLU O 1 106 LEU N 3.000 2.300 3.500 2.949 2.767 3.183 . 0 0 "[ . 1 . 2]" 2
161 1 103 VAL O 1 107 LEU N 3.000 2.300 3.500 3.170 2.910 3.314 . 0 0 "[ . 1 . 2]" 2
162 1 104 ASP O 1 108 GLN N 3.000 2.300 3.500 3.223 3.098 3.288 . 0 0 "[ . 1 . 2]" 2
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