NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
499508 |
2kzh   |
17005 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kzh
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 453
_Distance_constraint_stats_list.Viol_count 147
_Distance_constraint_stats_list.Viol_total 113.092
_Distance_constraint_stats_list.Viol_max 0.125
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0385
_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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASN 0.005 0.005 2 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.430 0.111 11 0 "[ . 1 . 2]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.034 0.027 7 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.030 0.030 1 0 "[ . 1 . 2]"
1 19 TYR 0.005 0.005 2 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 TYR 0.345 0.042 15 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 1.664 0.125 19 0 "[ . 1 . 2]"
1 29 ILE 0.093 0.093 7 0 "[ . 1 . 2]"
1 30 PHE 0.239 0.093 7 0 "[ . 1 . 2]"
1 31 VAL 0.387 0.060 4 0 "[ . 1 . 2]"
1 32 ALA 0.387 0.060 4 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 0.002 0.002 7 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 CYS 0.037 0.027 7 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASN 0.195 0.103 15 0 "[ . 1 . 2]"
1 40 VAL 0.165 0.064 7 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLN 1.280 0.113 1 0 "[ . 1 . 2]"
1 43 ALA 0.387 0.045 10 0 "[ . 1 . 2]"
1 44 GLN 0.165 0.064 7 0 "[ . 1 . 2]"
1 45 GLU 1.084 0.113 1 0 "[ . 1 . 2]"
1 46 VAL 1.472 0.113 1 0 "[ . 1 . 2]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.035 0.030 1 0 "[ . 1 . 2]"
1 53 GLN 0.559 0.072 14 0 "[ . 1 . 2]"
1 54 TYR 0.239 0.054 2 0 "[ . 1 . 2]"
1 55 VAL 1.359 0.125 19 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.111 0.093 7 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.004 0.004 11 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.146 0.021 2 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.273 0.073 1 0 "[ . 1 . 2]"
1 72 VAL 0.273 0.073 1 0 "[ . 1 . 2]"
1 73 LEU 0.165 0.064 7 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.018 0.018 1 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLN 0.370 0.042 15 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.387 0.045 10 0 "[ . 1 . 2]"
1 93 ARG 1.415 0.125 19 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 0.025 0.025 1 0 "[ . 1 . 2]"
1 97 PRO 0.055 0.030 1 0 "[ . 1 . 2]"
1 98 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 HIS 0.090 0.090 1 0 "[ . 1 . 2]"
1 100 VAL 0.162 0.090 1 0 "[ . 1 . 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ILE 1.427 0.125 19 0 "[ . 1 . 2]"
1 103 TRP 0.092 0.038 9 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.252 0.054 2 0 "[ . 1 . 2]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLU 0.121 0.072 14 0 "[ . 1 . 2]"
1 111 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 GLU 0.430 0.111 11 0 "[ . 1 . 2]"
1 117 PHE 0.343 0.042 15 0 "[ . 1 . 2]"
1 118 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 VAL 0.078 0.038 9 0 "[ . 1 . 2]"
1 121 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 TYR 0.286 0.054 2 0 "[ . 1 . 2]"
1 124 VAL 0.034 0.027 7 0 "[ . 1 . 2]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 97 PRO HB2 1 99 HIS H 3.290 . 3.290 2.271 1.996 2.407 . 0 0 "[ . 1 . 2]" 1
2 1 44 GLN HB3 1 44 GLN HE22 5.000 . 5.000 3.504 2.808 3.934 . 0 0 "[ . 1 . 2]" 1
3 1 40 VAL MG2 1 44 GLN HE22 3.180 . 3.180 1.831 1.609 2.113 . 0 0 "[ . 1 . 2]" 1
4 1 41 GLU H 1 44 GLN HE21 5.500 . 5.500 2.919 2.733 3.057 . 0 0 "[ . 1 . 2]" 1
5 1 40 VAL MG2 1 44 GLN HE21 3.240 . 3.240 2.213 1.951 2.529 . 0 0 "[ . 1 . 2]" 1
6 1 39 ASN HD21 1 41 GLU H 5.170 . 5.170 2.094 1.852 3.472 . 0 0 "[ . 1 . 2]" 1
7 1 39 ASN HD21 1 41 GLU QG 5.200 . 5.200 2.914 1.987 3.597 . 0 0 "[ . 1 . 2]" 1
8 1 39 ASN HD21 1 40 VAL HB 4.580 . 4.580 2.188 1.795 3.009 . 0 0 "[ . 1 . 2]" 1
9 1 45 GLU H 1 47 MET H 4.110 . 4.110 3.486 3.423 3.561 . 0 0 "[ . 1 . 2]" 1
10 1 46 VAL QG 1 47 MET H . . 3.880 3.082 2.206 3.401 . 0 0 "[ . 1 . 2]" 1
11 1 55 VAL HB 1 56 GLY H 5.160 . 5.160 3.945 3.792 4.004 . 0 0 "[ . 1 . 2]" 1
12 1 53 GLN HB2 1 53 GLN HE22 3.960 . 3.960 3.613 3.146 3.938 . 0 0 "[ . 1 . 2]" 1
13 1 108 VAL HB 1 109 GLY H 5.340 . 5.340 2.960 2.469 3.443 . 0 0 "[ . 1 . 2]" 1
14 1 44 GLN H 1 46 VAL H 4.620 . 4.620 3.813 3.718 3.935 . 0 0 "[ . 1 . 2]" 1
15 1 41 GLU HA 1 44 GLN H 3.920 . 3.920 3.502 3.301 3.770 . 0 0 "[ . 1 . 2]" 1
16 1 105 ALA MB 1 107 SER H 4.330 . 4.330 3.410 2.678 4.329 . 0 0 "[ . 1 . 2]" 1
17 1 74 SER HA 1 75 LEU H 2.880 . 2.880 2.157 2.070 2.261 . 0 0 "[ . 1 . 2]" 1
18 1 72 VAL MG1 1 73 LEU H 3.130 . 3.130 2.595 1.739 2.964 . 0 0 "[ . 1 . 2]" 1
19 1 25 TYR HB2 1 53 GLN H 4.340 . 4.340 4.111 3.874 4.342 0.002 7 0 "[ . 1 . 2]" 1
20 1 36 ARG H 1 36 ARG QD 5.320 . 5.320 3.642 3.263 3.927 . 0 0 "[ . 1 . 2]" 1
21 1 35 PRO HG2 1 36 ARG H 3.630 . 3.630 2.801 2.421 3.399 . 0 0 "[ . 1 . 2]" 1
22 1 46 VAL QG 1 48 ALA H . . 4.560 4.317 4.040 4.487 . 0 0 "[ . 1 . 2]" 1
23 1 33 THR HA 1 34 SER H 3.220 . 3.220 2.352 2.138 2.468 . 0 0 "[ . 1 . 2]" 1
24 1 102 ILE H 1 102 ILE MD 3.820 . 3.820 3.226 2.648 3.491 . 0 0 "[ . 1 . 2]" 1
25 1 67 VAL MG1 1 71 LYS H 4.290 . 4.290 3.799 3.722 3.985 . 0 0 "[ . 1 . 2]" 1
26 1 62 ASP QB 1 65 ASP H . . 3.750 2.730 2.276 3.156 . 0 0 "[ . 1 . 2]" 1
27 1 48 ALA MB 1 49 ALA H 3.230 . 3.230 2.654 2.561 2.788 . 0 0 "[ . 1 . 2]" 1
28 1 118 GLN HA 1 120 VAL H 3.510 . 3.510 2.658 2.490 2.865 . 0 0 "[ . 1 . 2]" 1
29 1 11 ARG HB2 1 14 ASP H 3.450 . 3.450 2.717 2.302 3.047 . 0 0 "[ . 1 . 2]" 1
30 1 16 LYS QG 1 17 ALA H 2.390 . 2.390 2.168 2.108 2.260 . 0 0 "[ . 1 . 2]" 1
31 1 71 LYS QB 1 72 VAL H 2.790 . 2.790 2.124 2.007 2.296 . 0 0 "[ . 1 . 2]" 1
32 1 71 LYS QD 1 72 VAL H 4.510 . 4.510 4.328 3.516 4.583 0.073 1 0 "[ . 1 . 2]" 1
33 1 19 TYR HA 1 21 ALA H 3.410 . 3.410 3.211 3.067 3.277 . 0 0 "[ . 1 . 2]" 1
34 1 18 ALA H 1 18 ALA HA 2.940 . 2.940 2.482 2.208 2.735 . 0 0 "[ . 1 . 2]" 1
35 1 93 ARG HA 1 96 LEU H 4.250 . 4.250 3.476 3.072 3.840 . 0 0 "[ . 1 . 2]" 1
36 1 4 ASN QB 1 19 TYR H 4.390 . 4.390 4.196 3.984 4.395 0.005 2 0 "[ . 1 . 2]" 1
37 1 116 GLU HB2 1 117 PHE H 3.660 . 3.660 2.055 1.698 2.860 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLU HB3 1 5 LYS H 3.690 . 3.690 2.695 2.193 3.235 . 0 0 "[ . 1 . 2]" 1
39 1 116 GLU H 1 116 GLU HB2 3.800 . 3.800 2.713 2.327 3.530 . 0 0 "[ . 1 . 2]" 1
40 1 60 ASN QB 1 61 HIS H 3.590 . 3.590 2.540 2.090 3.075 . 0 0 "[ . 1 . 2]" 1
41 1 18 ALA H 1 20 ASP H 4.340 . 4.340 3.459 3.367 3.549 . 0 0 "[ . 1 . 2]" 1
42 1 104 LYS H 1 104 LYS HB3 3.730 . 3.730 2.493 2.224 2.894 . 0 0 "[ . 1 . 2]" 1
43 1 104 LYS H 1 104 LYS HB2 4.170 . 4.170 2.755 2.446 3.027 . 0 0 "[ . 1 . 2]" 1
44 1 28 LEU MD1 1 29 ILE H 4.030 . 4.030 3.271 2.991 3.699 . 0 0 "[ . 1 . 2]" 1
45 1 28 LEU HB3 1 29 ILE H 5.500 . 5.500 3.652 3.455 3.889 . 0 0 "[ . 1 . 2]" 1
46 1 25 TYR HB2 1 54 TYR H 3.960 . 3.960 3.608 3.552 3.675 . 0 0 "[ . 1 . 2]" 1
47 1 106 LEU H 1 123 TYR QD 3.470 . 3.470 2.752 2.250 3.196 . 0 0 "[ . 1 . 2]" 1
48 1 97 PRO HB2 1 98 ALA H 2.820 . 2.820 2.101 2.055 2.141 . 0 0 "[ . 1 . 2]" 1
49 1 28 LEU H 1 55 VAL QG . . 4.180 2.986 2.255 3.378 . 0 0 "[ . 1 . 2]" 1
50 1 9 LEU HB2 1 15 ALA H 5.500 . 5.500 3.300 2.996 3.628 . 0 0 "[ . 1 . 2]" 1
51 1 80 LEU H 1 102 ILE MG 4.490 . 4.490 2.840 2.470 3.041 . 0 0 "[ . 1 . 2]" 1
52 1 55 VAL QG 1 57 VAL H 5.500 . 5.500 4.019 3.780 4.287 . 0 0 "[ . 1 . 2]" 1
53 1 31 VAL QG 1 32 ALA H . . 2.610 2.595 2.243 2.670 0.060 4 0 "[ . 1 . 2]" 1
54 1 16 LYS H 1 16 LYS QE 5.350 . 5.350 4.099 3.451 4.475 . 0 0 "[ . 1 . 2]" 1
55 1 43 ALA MB 1 45 GLU H 4.730 . 4.730 4.286 4.207 4.422 . 0 0 "[ . 1 . 2]" 1
56 1 14 ASP QB 1 17 ALA H . . 5.340 5.046 4.854 5.255 . 0 0 "[ . 1 . 2]" 1
57 1 40 VAL HB 1 41 GLU H 2.830 . 2.830 2.198 2.135 2.235 . 0 0 "[ . 1 . 2]" 1
58 1 40 VAL H 1 40 VAL MG2 3.850 . 3.850 3.050 1.831 3.559 . 0 0 "[ . 1 . 2]" 1
59 1 39 ASN HD22 1 42 GLN H 4.690 . 4.690 3.153 2.415 3.441 . 0 0 "[ . 1 . 2]" 1
60 1 25 TYR QD 1 55 VAL H 4.520 . 4.520 3.539 3.324 3.877 . 0 0 "[ . 1 . 2]" 1
61 1 61 HIS HB3 1 62 ASP H 4.160 . 4.160 3.110 2.842 3.417 . 0 0 "[ . 1 . 2]" 1
62 1 105 ALA MB 1 124 VAL H 5.500 . 5.500 4.362 3.969 4.670 . 0 0 "[ . 1 . 2]" 1
63 1 39 ASN HD21 1 41 GLU HA 5.500 . 5.500 4.286 3.957 5.247 . 0 0 "[ . 1 . 2]" 1
64 1 55 VAL QG 1 77 ALA H . . 3.940 2.935 2.582 3.343 . 0 0 "[ . 1 . 2]" 1
65 1 28 LEU H 1 28 LEU QD . . 2.550 1.837 1.634 2.597 0.047 14 0 "[ . 1 . 2]" 1
66 1 56 GLY H 1 77 ALA H 4.450 . 4.450 3.479 3.248 3.570 . 0 0 "[ . 1 . 2]" 1
67 1 16 LYS HE2 1 17 ALA H 5.500 . 5.500 4.790 4.445 4.998 . 0 0 "[ . 1 . 2]" 1
68 1 19 TYR HB2 1 22 GLY H 5.340 . 5.340 4.888 4.688 4.990 . 0 0 "[ . 1 . 2]" 1
69 1 31 VAL HB 1 34 SER H 3.460 . 3.460 2.296 1.913 3.001 . 0 0 "[ . 1 . 2]" 1
70 1 38 VAL MG1 1 40 VAL H 5.440 . 5.440 4.401 4.205 4.550 . 0 0 "[ . 1 . 2]" 1
71 1 50 ALA HA 1 52 LEU H 5.500 . 5.500 4.055 3.880 4.255 . 0 0 "[ . 1 . 2]" 1
72 1 55 VAL H 1 55 VAL QG . . 3.470 2.320 2.240 2.396 . 0 0 "[ . 1 . 2]" 1
73 1 106 LEU H 1 123 TYR QE 5.500 . 5.500 4.426 3.869 4.958 . 0 0 "[ . 1 . 2]" 1
74 1 26 GLY H 1 27 GLY H 5.500 . 5.500 4.150 3.966 4.276 . 0 0 "[ . 1 . 2]" 1
75 1 103 TRP HE1 1 122 LYS QD 5.500 . 5.500 3.616 2.498 4.716 . 0 0 "[ . 1 . 2]" 1
76 1 29 ILE H 1 29 ILE HG13 5.280 . 5.280 2.649 2.325 3.740 . 0 0 "[ . 1 . 2]" 1
77 1 28 LEU MD1 1 29 ILE H 3.590 . 3.590 2.863 2.721 3.076 . 0 0 "[ . 1 . 2]" 1
78 1 28 LEU HB3 1 29 ILE H 3.980 . 3.980 3.287 1.867 3.474 . 0 0 "[ . 1 . 2]" 1
79 1 29 ILE H 1 38 VAL MG1 5.500 . 5.500 4.874 4.708 5.059 . 0 0 "[ . 1 . 2]" 1
80 1 28 LEU MD1 1 29 ILE H 3.570 . 3.570 2.768 2.657 2.934 . 0 0 "[ . 1 . 2]" 1
81 1 76 ALA H 1 76 ALA MB 3.160 . 3.160 2.085 1.946 2.203 . 0 0 "[ . 1 . 2]" 1
82 1 32 ALA H 1 32 ALA MB 3.560 . 3.560 2.181 2.124 2.232 . 0 0 "[ . 1 . 2]" 1
83 1 4 ASN QB 1 20 ASP H 5.500 . 5.500 3.580 2.968 3.983 . 0 0 "[ . 1 . 2]" 1
84 1 20 ASP H 1 52 LEU QD 5.500 . 5.500 3.858 3.555 4.104 . 0 0 "[ . 1 . 2]" 1
85 1 63 ILE QG 1 93 ARG H 5.500 . 5.500 4.975 4.500 5.504 0.004 11 0 "[ . 1 . 2]" 1
86 1 28 LEU HB3 1 55 VAL H 5.500 . 5.500 3.752 3.504 3.947 . 0 0 "[ . 1 . 2]" 1
87 1 28 LEU MD2 1 55 VAL H 2.620 . 2.620 2.688 2.642 2.745 0.125 19 0 "[ . 1 . 2]" 1
88 1 54 TYR H 1 75 LEU HB3 5.110 . 5.110 4.517 4.344 4.632 . 0 0 "[ . 1 . 2]" 1
89 1 31 VAL HB 1 32 ALA H 4.720 . 4.720 3.663 3.403 3.781 . 0 0 "[ . 1 . 2]" 1
90 1 89 ILE HB 1 118 GLN H 4.660 . 4.660 2.702 1.988 4.152 . 0 0 "[ . 1 . 2]" 1
91 1 54 TYR HB2 1 76 ALA H 5.500 . 5.500 2.726 2.471 3.186 . 0 0 "[ . 1 . 2]" 1
92 1 9 LEU HA 1 10 THR H 2.930 . 2.930 2.005 1.886 2.137 . 0 0 "[ . 1 . 2]" 1
93 1 19 TYR QD 1 20 ASP H 4.160 . 4.160 2.608 2.426 2.857 . 0 0 "[ . 1 . 2]" 1
94 1 25 TYR QD 1 54 TYR H 5.500 . 5.500 2.710 2.498 2.970 . 0 0 "[ . 1 . 2]" 1
95 1 8 GLY H 1 29 ILE H 5.500 . 5.500 2.870 2.586 3.059 . 0 0 "[ . 1 . 2]" 1
96 1 26 GLY H 1 54 TYR H 5.460 . 5.460 3.803 3.347 4.009 . 0 0 "[ . 1 . 2]" 1
97 1 28 LEU H 1 29 ILE HG12 5.500 . 5.500 4.130 3.092 4.450 . 0 0 "[ . 1 . 2]" 1
98 1 5 LYS QG 1 27 GLY H 5.500 . 5.500 2.985 2.500 3.309 . 0 0 "[ . 1 . 2]" 1
99 1 5 LYS HB2 1 27 GLY H 5.110 . 5.110 3.287 1.996 4.337 . 0 0 "[ . 1 . 2]" 1
100 1 42 GLN HB3 1 43 ALA H 3.970 . 3.970 2.109 1.997 2.268 . 0 0 "[ . 1 . 2]" 1
101 1 30 PHE QR 1 57 VAL H 3.540 . 3.540 3.080 2.786 3.163 . 0 0 "[ . 1 . 2]" 1
102 1 28 LEU H 1 29 ILE H 5.500 . 5.500 4.157 4.104 4.189 . 0 0 "[ . 1 . 2]" 1
103 1 28 LEU H 1 28 LEU QD 2.540 . 2.540 1.706 1.541 2.052 . 0 0 "[ . 1 . 2]" 1
104 1 86 GLN H 1 87 LEU MD1 3.700 . 3.700 3.302 3.271 3.327 . 0 0 "[ . 1 . 2]" 1
105 1 91 THR MG 1 92 LEU H 3.590 . 3.590 3.006 2.993 3.022 . 0 0 "[ . 1 . 2]" 1
106 1 38 VAL MG2 1 42 GLN H 4.780 . 4.780 2.974 2.085 3.602 . 0 0 "[ . 1 . 2]" 1
107 1 63 ILE H 1 63 ILE MD 4.440 . 4.440 4.221 3.789 4.426 . 0 0 "[ . 1 . 2]" 1
108 1 92 LEU H 1 92 LEU HG 5.500 . 5.500 3.939 3.872 4.029 . 0 0 "[ . 1 . 2]" 1
109 1 42 GLN H 1 43 ALA MB 4.770 . 4.770 2.900 2.330 3.232 . 0 0 "[ . 1 . 2]" 1
110 1 28 LEU H 1 28 LEU HB2 3.980 . 3.980 3.478 3.349 3.563 . 0 0 "[ . 1 . 2]" 1
111 1 92 LEU H 1 92 LEU HB2 3.810 . 3.810 2.292 2.141 2.484 . 0 0 "[ . 1 . 2]" 1
112 1 41 GLU HB2 1 42 GLN H 3.820 . 3.820 2.102 1.827 2.278 . 0 0 "[ . 1 . 2]" 1
113 1 85 GLU HG2 1 86 GLN H 3.980 . 3.980 2.202 2.092 2.386 . 0 0 "[ . 1 . 2]" 1
114 1 42 GLN H 1 42 GLN HG3 3.600 . 3.600 2.504 2.092 3.485 . 0 0 "[ . 1 . 2]" 1
115 1 89 ILE HA 1 92 LEU H 5.310 . 5.310 3.242 3.122 3.392 . 0 0 "[ . 1 . 2]" 1
116 1 113 PRO HA 1 114 ALA H 2.670 . 2.670 1.909 1.721 2.108 . 0 0 "[ . 1 . 2]" 1
117 1 38 VAL HA 1 42 GLN H 5.390 . 5.390 4.258 3.879 4.688 . 0 0 "[ . 1 . 2]" 1
118 1 42 GLN H 1 42 GLN HE21 5.500 . 5.500 2.710 2.579 3.058 . 0 0 "[ . 1 . 2]" 1
119 1 3 GLU H 1 4 ASN H 5.500 . 5.500 4.032 2.796 4.353 . 0 0 "[ . 1 . 2]" 1
120 1 40 VAL H 1 43 ALA H 4.930 . 4.930 3.587 3.429 3.689 . 0 0 "[ . 1 . 2]" 1
121 1 27 GLY H 1 55 VAL H 4.800 . 4.800 3.617 3.311 3.904 . 0 0 "[ . 1 . 2]" 1
122 1 87 LEU H 1 87 LEU QD . . 3.540 3.023 2.944 3.078 . 0 0 "[ . 1 . 2]" 1
123 1 19 TYR H 1 50 ALA MB 3.490 . 3.490 2.236 2.037 2.444 . 0 0 "[ . 1 . 2]" 1
124 1 67 VAL MG2 1 70 ALA H 5.500 . 5.500 3.018 2.854 3.254 . 0 0 "[ . 1 . 2]" 1
125 1 18 ALA MB 1 19 TYR H 3.590 . 3.590 2.346 2.169 2.679 . 0 0 "[ . 1 . 2]" 1
126 1 97 PRO HB2 1 98 ALA H 2.320 . 2.320 1.958 1.713 2.138 . 0 0 "[ . 1 . 2]" 1
127 1 69 LYS HB3 1 70 ALA H 3.700 . 3.700 2.176 1.837 2.820 . 0 0 "[ . 1 . 2]" 1
128 1 87 LEU H 1 87 LEU QB 2.950 . 2.950 2.303 2.193 2.402 . 0 0 "[ . 1 . 2]" 1
129 1 3 GLU H 1 3 GLU QG 4.560 . 4.560 2.681 1.770 3.254 . 0 0 "[ . 1 . 2]" 1
130 1 62 ASP H 1 62 ASP HB3 3.830 . 3.830 2.555 2.165 3.241 . 0 0 "[ . 1 . 2]" 1
131 1 123 TYR H 1 123 TYR QB . . 3.220 2.712 2.290 3.092 . 0 0 "[ . 1 . 2]" 1
132 1 97 PRO HG2 1 98 ALA H 5.220 . 5.220 2.625 1.854 3.163 . 0 0 "[ . 1 . 2]" 1
133 1 19 TYR H 1 19 TYR HB3 3.910 . 3.910 2.071 2.015 2.136 . 0 0 "[ . 1 . 2]" 1
134 1 17 ALA HA 1 19 TYR H 5.500 . 5.500 4.001 3.837 4.179 . 0 0 "[ . 1 . 2]" 1
135 1 30 PHE H 1 30 PHE QD 3.760 . 3.760 2.468 2.306 2.716 . 0 0 "[ . 1 . 2]" 1
136 1 30 PHE H 1 30 PHE QD 3.590 . 3.590 2.364 2.240 2.576 . 0 0 "[ . 1 . 2]" 1
137 1 30 PHE QR 1 40 VAL H 5.200 . 5.200 2.546 2.269 2.977 . 0 0 "[ . 1 . 2]" 1
138 1 25 TYR QE 1 26 GLY H 5.500 . 5.500 3.775 3.239 3.931 . 0 0 "[ . 1 . 2]" 1
139 1 8 GLY H 1 37 CYS H 3.260 . 3.260 3.170 2.932 3.287 0.027 7 0 "[ . 1 . 2]" 1
140 1 41 GLU H 1 44 GLN HE22 5.390 . 5.390 4.226 3.978 4.358 . 0 0 "[ . 1 . 2]" 1
141 1 14 ASP H 1 16 LYS H 5.500 . 5.500 3.472 3.303 3.668 . 0 0 "[ . 1 . 2]" 1
142 1 40 VAL H 1 41 GLU H 3.570 . 3.570 2.487 2.365 2.616 . 0 0 "[ . 1 . 2]" 1
143 1 70 ALA H 1 71 LYS H 3.830 . 3.830 2.619 2.500 2.713 . 0 0 "[ . 1 . 2]" 1
144 1 6 VAL H 1 27 GLY H 3.540 . 3.540 2.101 1.875 2.386 . 0 0 "[ . 1 . 2]" 1
145 1 56 GLY H 1 77 ALA H 5.500 . 5.500 3.445 3.230 3.525 . 0 0 "[ . 1 . 2]" 1
146 1 25 TYR H 1 26 GLY H 5.500 . 5.500 2.563 2.178 2.851 . 0 0 "[ . 1 . 2]" 1
147 1 8 GLY H 1 37 CYS HA 2.890 . 2.890 1.881 1.658 2.109 . 0 0 "[ . 1 . 2]" 1
148 1 7 CYS QB 1 8 GLY H 5.460 . 5.460 2.197 2.039 2.286 . 0 0 "[ . 1 . 2]" 1
149 1 40 VAL HB 1 41 GLU H 3.580 . 3.580 3.136 2.653 3.331 . 0 0 "[ . 1 . 2]" 1
150 1 8 GLY H 1 28 LEU HB2 3.610 . 3.610 2.160 1.821 2.540 . 0 0 "[ . 1 . 2]" 1
151 1 16 LYS H 1 16 LYS HB2 3.630 . 3.630 3.060 2.468 3.327 . 0 0 "[ . 1 . 2]" 1
152 1 15 ALA MB 1 16 LYS H 3.550 . 3.550 2.557 2.267 2.824 . 0 0 "[ . 1 . 2]" 1
153 1 16 LYS H 1 16 LYS QG 3.600 . 3.600 1.878 1.674 2.052 . 0 0 "[ . 1 . 2]" 1
154 1 16 LYS H 1 52 LEU QD 5.500 . 5.500 3.304 3.039 3.724 . 0 0 "[ . 1 . 2]" 1
155 1 29 ILE MG 1 30 PHE H 2.220 . 2.220 2.089 1.875 2.161 . 0 0 "[ . 1 . 2]" 1
156 1 78 VAL H 1 100 VAL MG1 3.780 . 3.780 2.982 2.499 3.261 . 0 0 "[ . 1 . 2]" 1
157 1 5 LYS H 1 5 LYS QG 4.010 . 4.010 2.282 1.886 3.162 . 0 0 "[ . 1 . 2]" 1
158 1 5 LYS H 1 5 LYS QD 4.080 . 4.080 2.453 2.198 3.203 . 0 0 "[ . 1 . 2]" 1
159 1 6 VAL H 1 18 ALA MB 3.780 . 3.780 3.073 2.651 3.700 . 0 0 "[ . 1 . 2]" 1
160 1 26 GLY H 1 53 GLN HB2 3.870 . 3.870 3.345 3.148 3.451 . 0 0 "[ . 1 . 2]" 1
161 1 16 LYS H 1 16 LYS HB3 2.540 . 2.540 2.126 2.026 2.267 . 0 0 "[ . 1 . 2]" 1
162 1 62 ASP HB3 1 64 ALA H 3.660 . 3.660 2.287 2.100 2.647 . 0 0 "[ . 1 . 2]" 1
163 1 25 TYR HB2 1 26 GLY H 4.080 . 4.080 2.808 2.183 3.186 . 0 0 "[ . 1 . 2]" 1
164 1 7 CYS QB 1 36 ARG H 5.500 . 5.500 5.055 4.731 5.374 . 0 0 "[ . 1 . 2]" 1
165 1 39 ASN H 1 42 GLN H 4.830 . 4.830 3.119 2.513 3.304 . 0 0 "[ . 1 . 2]" 1
166 1 110 GLU H 1 111 THR H 4.770 . 4.770 2.378 1.924 3.660 . 0 0 "[ . 1 . 2]" 1
167 1 17 ALA H 1 18 ALA H 3.810 . 3.810 2.650 2.486 2.810 . 0 0 "[ . 1 . 2]" 1
168 1 47 MET H 1 48 ALA H 2.830 . 2.830 2.123 2.054 2.204 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA H 1 17 ALA H 5.500 . 5.500 3.769 3.549 3.908 . 0 0 "[ . 1 . 2]" 1
170 1 69 LYS HA 1 73 LEU H 3.560 . 3.560 2.916 2.881 2.932 . 0 0 "[ . 1 . 2]" 1
171 1 67 VAL H 1 67 VAL HB 2.430 . 2.430 2.158 2.049 2.220 . 0 0 "[ . 1 . 2]" 1
172 1 4 ASN H 1 5 LYS HB3 4.390 . 4.390 2.741 2.183 3.797 . 0 0 "[ . 1 . 2]" 1
173 1 47 MET H 1 47 MET QB 3.560 . 3.560 2.376 2.130 2.562 . 0 0 "[ . 1 . 2]" 1
174 1 21 ALA MB 1 23 ALA H 3.770 . 3.770 2.796 2.299 3.383 . 0 0 "[ . 1 . 2]" 1
175 1 31 VAL MG1 1 36 ARG H 5.500 . 5.500 4.720 3.807 5.014 . 0 0 "[ . 1 . 2]" 1
176 1 69 LYS H 1 72 VAL MG2 4.660 . 4.660 3.543 3.449 3.595 . 0 0 "[ . 1 . 2]" 1
177 1 67 VAL H 1 67 VAL MG2 3.320 . 3.320 2.111 2.000 2.305 . 0 0 "[ . 1 . 2]" 1
178 1 63 ILE MD 1 64 ALA H 5.170 . 5.170 4.548 3.996 4.822 . 0 0 "[ . 1 . 2]" 1
179 1 23 ALA H 1 52 LEU HB3 4.280 . 4.280 3.516 3.380 3.615 . 0 0 "[ . 1 . 2]" 1
180 1 63 ILE MD 1 96 LEU H 3.800 . 3.800 3.014 2.252 3.393 . 0 0 "[ . 1 . 2]" 1
181 1 17 ALA H 1 50 ALA MB 5.310 . 5.310 4.322 4.192 4.450 . 0 0 "[ . 1 . 2]" 1
182 1 67 VAL H 1 70 ALA MB 5.500 . 5.500 3.037 2.361 3.701 . 0 0 "[ . 1 . 2]" 1
183 1 4 ASN QB 1 18 ALA H 5.260 . 5.260 3.454 2.509 4.013 . 0 0 "[ . 1 . 2]" 1
184 1 6 VAL QG 1 18 ALA H 5.380 . 5.380 3.413 2.917 3.661 . 0 0 "[ . 1 . 2]" 1
185 1 28 LEU MD1 1 39 ASN H 5.500 . 5.500 3.134 2.987 3.429 . 0 0 "[ . 1 . 2]" 1
186 1 31 VAL MG1 1 34 SER H 3.990 . 3.990 3.103 1.584 3.275 . 0 0 "[ . 1 . 2]" 1
187 1 52 LEU QD 1 53 GLN H 3.580 . 3.580 2.484 2.233 3.507 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLY H 1 24 ILE MD 5.500 . 5.500 3.248 3.205 3.292 . 0 0 "[ . 1 . 2]" 1
189 1 24 ILE MG 1 53 GLN H 5.230 . 5.230 3.457 3.147 3.711 . 0 0 "[ . 1 . 2]" 1
190 1 55 VAL MG2 1 77 ALA H 3.990 . 3.990 2.726 2.529 2.942 . 0 0 "[ . 1 . 2]" 1
191 1 99 HIS H 1 100 VAL MG2 3.380 . 3.380 2.454 2.146 3.470 0.090 1 0 "[ . 1 . 2]" 1
192 1 33 THR MG 1 42 GLN HE22 5.270 . 5.270 3.144 2.324 3.547 . 0 0 "[ . 1 . 2]" 1
193 1 75 LEU HB3 1 77 ALA H 3.670 . 3.670 2.446 2.279 2.717 . 0 0 "[ . 1 . 2]" 1
194 1 21 ALA MB 1 22 GLY H 3.220 . 3.220 2.277 2.216 2.332 . 0 0 "[ . 1 . 2]" 1
195 1 18 ALA H 1 18 ALA MB 3.590 . 3.590 2.122 1.878 2.194 . 0 0 "[ . 1 . 2]" 1
196 1 97 PRO HB2 1 99 HIS H 3.590 . 3.590 2.254 1.983 2.385 . 0 0 "[ . 1 . 2]" 1
197 1 66 VAL H 1 66 VAL HB 3.960 . 3.960 2.599 2.508 2.668 . 0 0 "[ . 1 . 2]" 1
198 1 66 VAL H 1 67 VAL HB 5.000 . 5.000 4.433 4.112 4.683 . 0 0 "[ . 1 . 2]" 1
199 1 31 VAL HB 1 34 SER H 3.440 . 3.440 2.175 1.882 2.676 . 0 0 "[ . 1 . 2]" 1
200 1 75 LEU H 1 75 LEU HB2 3.460 . 3.460 2.123 1.918 2.391 . 0 0 "[ . 1 . 2]" 1
201 1 65 ASP H 1 66 VAL HB 5.500 . 5.500 3.866 3.319 4.440 . 0 0 "[ . 1 . 2]" 1
202 1 39 ASN HD22 1 41 GLU HB2 5.050 . 5.050 2.155 1.919 2.676 . 0 0 "[ . 1 . 2]" 1
203 1 11 ARG HB2 1 13 GLN HE22 5.500 . 5.500 4.063 3.625 4.949 . 0 0 "[ . 1 . 2]" 1
204 1 34 SER H 1 38 VAL HA 3.840 . 3.840 2.074 1.928 2.220 . 0 0 "[ . 1 . 2]" 1
205 1 97 PRO HA 1 99 HIS H 5.120 . 5.120 3.857 3.666 4.069 . 0 0 "[ . 1 . 2]" 1
206 1 21 ALA H 1 22 GLY H 3.070 . 3.070 2.122 2.066 2.186 . 0 0 "[ . 1 . 2]" 1
207 1 86 GLN HE22 1 87 LEU H 5.310 . 5.310 2.491 2.233 2.799 . 0 0 "[ . 1 . 2]" 1
208 1 78 VAL H 1 101 ALA H 3.630 . 3.630 2.644 2.459 2.791 . 0 0 "[ . 1 . 2]" 1
209 1 98 ALA H 1 99 HIS H 4.770 . 4.770 2.611 2.453 2.761 . 0 0 "[ . 1 . 2]" 1
210 1 20 ASP H 1 22 GLY H 4.720 . 4.720 3.849 3.743 4.002 . 0 0 "[ . 1 . 2]" 1
211 1 20 ASP H 1 22 GLY H 4.970 . 4.970 3.665 3.578 3.712 . 0 0 "[ . 1 . 2]" 1
212 1 13 GLN H 1 15 ALA H 4.150 . 4.150 2.585 2.473 2.823 . 0 0 "[ . 1 . 2]" 1
213 1 53 GLN H 1 53 GLN HE21 4.900 . 4.900 4.180 3.809 4.915 0.015 20 0 "[ . 1 . 2]" 1
214 1 38 VAL MG1 1 39 ASN HD22 4.630 . 4.630 3.085 2.576 3.419 . 0 0 "[ . 1 . 2]" 1
215 1 45 GLU H 1 46 VAL MG1 5.220 . 5.220 4.128 3.575 4.510 . 0 0 "[ . 1 . 2]" 1
216 1 72 VAL MG1 1 74 SER H 4.480 . 4.480 3.784 3.499 4.001 . 0 0 "[ . 1 . 2]" 1
217 1 10 THR MG 1 11 ARG H 3.280 . 3.280 2.353 2.221 2.455 . 0 0 "[ . 1 . 2]" 1
218 1 40 VAL MG1 1 44 GLN HE22 5.500 . 5.500 3.121 1.756 3.804 . 0 0 "[ . 1 . 2]" 1
219 1 24 ILE MG 1 25 TYR QD 3.220 . 3.220 2.147 1.912 2.570 . 0 0 "[ . 1 . 2]" 1
220 1 24 ILE MG 1 25 TYR H 4.260 . 4.260 2.210 1.933 2.693 . 0 0 "[ . 1 . 2]" 1
221 1 25 TYR QD 1 55 VAL MG1 3.740 . 3.740 2.377 2.111 2.707 . 0 0 "[ . 1 . 2]" 1
222 1 19 TYR QD 1 52 LEU QD 4.650 . 4.650 2.770 2.578 3.028 . 0 0 "[ . 1 . 2]" 1
223 1 46 VAL MG1 1 48 ALA H 5.500 . 5.500 4.444 4.155 4.595 . 0 0 "[ . 1 . 2]" 1
224 1 91 THR MG 1 95 ALA H 5.500 . 5.500 4.063 3.865 4.209 . 0 0 "[ . 1 . 2]" 1
225 1 79 GLN HE22 1 102 ILE MG 3.360 . 3.360 2.954 2.000 3.367 0.007 1 0 "[ . 1 . 2]" 1
226 1 106 LEU MD2 1 123 TYR QD 4.000 . 4.000 2.741 2.124 3.883 . 0 0 "[ . 1 . 2]" 1
227 1 49 ALA H 1 50 ALA MB 5.500 . 5.500 4.178 4.006 4.425 . 0 0 "[ . 1 . 2]" 1
228 1 49 ALA MB 1 50 ALA H 3.910 . 3.910 2.253 1.887 2.666 . 0 0 "[ . 1 . 2]" 1
229 1 43 ALA MB 1 45 GLU H 5.340 . 5.340 4.261 4.186 4.393 . 0 0 "[ . 1 . 2]" 1
230 1 21 ALA H 1 21 ALA MB 2.480 . 2.480 2.021 1.970 2.072 . 0 0 "[ . 1 . 2]" 1
231 1 16 LYS QG 1 19 TYR QD 3.640 . 3.640 1.964 1.791 2.066 . 0 0 "[ . 1 . 2]" 1
232 1 16 LYS HB2 1 19 TYR QD 3.600 . 3.600 2.299 1.938 2.710 . 0 0 "[ . 1 . 2]" 1
233 1 16 LYS HB3 1 19 TYR QD 4.930 . 4.930 3.141 2.232 3.787 . 0 0 "[ . 1 . 2]" 1
234 1 11 ARG H 1 11 ARG QG 3.850 . 3.850 2.510 2.164 2.893 . 0 0 "[ . 1 . 2]" 1
235 1 73 LEU HB2 1 74 SER H 4.280 . 4.280 2.791 2.229 3.265 . 0 0 "[ . 1 . 2]" 1
236 1 53 GLN HB3 1 53 GLN HE22 3.850 . 3.850 3.291 3.081 3.599 . 0 0 "[ . 1 . 2]" 1
237 1 39 ASN HD22 1 42 GLN HB3 5.500 . 5.500 3.278 2.785 3.792 . 0 0 "[ . 1 . 2]" 1
238 1 47 MET QB 1 48 ALA H 3.910 . 3.910 3.345 3.174 3.590 . 0 0 "[ . 1 . 2]" 1
239 1 45 GLU HB2 1 48 ALA H 5.500 . 5.500 4.457 3.861 4.537 . 0 0 "[ . 1 . 2]" 1
240 1 25 TYR H 1 53 GLN QG 5.500 . 5.500 3.740 2.464 4.190 . 0 0 "[ . 1 . 2]" 1
241 1 44 GLN HB2 1 44 GLN HE22 3.440 . 3.440 2.070 1.931 2.372 . 0 0 "[ . 1 . 2]" 1
242 1 97 PRO HB2 1 99 HIS HD2 5.500 . 5.500 3.492 2.525 4.097 . 0 0 "[ . 1 . 2]" 1
243 1 25 TYR H 1 53 GLN HB3 5.460 . 5.460 2.455 1.981 2.950 . 0 0 "[ . 1 . 2]" 1
244 1 44 GLN HB3 1 45 GLU H 3.610 . 3.610 2.807 2.426 3.487 . 0 0 "[ . 1 . 2]" 1
245 1 46 VAL HA 1 49 ALA H 4.800 . 4.800 3.135 2.927 3.386 . 0 0 "[ . 1 . 2]" 1
246 1 14 ASP H 1 14 ASP QB . . 3.030 2.241 2.068 2.412 . 0 0 "[ . 1 . 2]" 1
247 1 25 TYR HB2 1 53 GLN HE22 5.250 . 5.250 3.416 2.797 3.800 . 0 0 "[ . 1 . 2]" 1
248 1 43 ALA HA 1 45 GLU H 4.370 . 4.370 3.367 3.231 3.490 . 0 0 "[ . 1 . 2]" 1
249 1 49 ALA H 1 49 ALA HA 2.840 . 2.840 2.164 2.076 2.282 . 0 0 "[ . 1 . 2]" 1
250 1 53 GLN HE22 1 76 ALA HA 5.450 . 5.450 4.560 3.420 5.066 . 0 0 "[ . 1 . 2]" 1
251 1 25 TYR QD 1 53 GLN HE22 4.620 . 4.620 4.601 4.140 4.662 0.042 15 0 "[ . 1 . 2]" 1
252 1 16 LYS HA 1 19 TYR QD 4.100 . 4.100 2.587 2.019 3.095 . 0 0 "[ . 1 . 2]" 1
253 1 63 ILE MG 1 88 TYR QD 4.720 . 4.720 2.814 2.290 3.764 . 0 0 "[ . 1 . 2]" 1
254 1 88 TYR QD 1 89 ILE HG13 4.810 . 4.810 2.963 2.807 3.051 . 0 0 "[ . 1 . 2]" 1
255 1 8 GLY QA 1 37 CYS H 3.920 . 3.920 2.267 1.957 2.643 . 0 0 "[ . 1 . 2]" 1
256 1 35 PRO HA 1 37 CYS H 4.380 . 4.380 2.863 2.322 3.448 . 0 0 "[ . 1 . 2]" 1
257 1 19 TYR H 1 21 ALA H 5.500 . 5.500 3.443 3.220 3.704 . 0 0 "[ . 1 . 2]" 1
258 1 39 ASN HD22 1 42 GLN H 5.500 . 5.500 3.031 2.395 3.264 . 0 0 "[ . 1 . 2]" 1
259 1 43 ALA H 1 45 GLU H 4.650 . 4.650 3.604 3.248 3.926 . 0 0 "[ . 1 . 2]" 1
260 1 117 PHE QD 1 118 GLN H 5.410 . 5.410 4.085 3.776 4.300 . 0 0 "[ . 1 . 2]" 1
261 1 32 ALA H 1 33 THR H 5.500 . 5.500 3.828 3.684 3.966 . 0 0 "[ . 1 . 2]" 1
262 1 26 GLY H 1 53 GLN HE22 5.500 . 5.500 3.666 3.337 4.018 . 0 0 "[ . 1 . 2]" 1
263 1 26 GLY H 1 53 GLN HE22 5.200 . 5.200 3.969 3.441 4.518 . 0 0 "[ . 1 . 2]" 1
264 1 86 GLN H 1 86 GLN HE21 5.500 . 5.500 3.046 2.004 3.729 . 0 0 "[ . 1 . 2]" 1
265 1 42 GLN H 1 42 GLN HE21 5.500 . 5.500 2.698 2.571 3.031 . 0 0 "[ . 1 . 2]" 1
266 1 41 GLU H 1 42 GLN HE21 5.500 . 5.500 4.362 4.082 4.747 . 0 0 "[ . 1 . 2]" 1
267 1 8 GLY H 1 37 CYS H 4.240 . 4.240 3.077 2.871 3.191 . 0 0 "[ . 1 . 2]" 1
268 1 19 TYR H 1 19 TYR QD 5.500 . 5.500 3.512 3.345 3.618 . 0 0 "[ . 1 . 2]" 1
269 1 47 MET H 1 48 ALA H 3.700 . 3.700 2.109 2.045 2.183 . 0 0 "[ . 1 . 2]" 1
270 1 45 GLU H 1 46 VAL H 3.950 . 3.950 2.058 1.917 2.152 . 0 0 "[ . 1 . 2]" 1
271 1 21 ALA H 1 23 ALA H 3.910 . 3.910 3.319 3.239 3.397 . 0 0 "[ . 1 . 2]" 1
272 1 30 PHE QR 1 40 VAL H 4.820 . 4.820 2.550 2.271 2.988 . 0 0 "[ . 1 . 2]" 1
273 1 19 TYR QD 1 22 GLY H 4.290 . 4.290 2.776 2.642 3.240 . 0 0 "[ . 1 . 2]" 1
274 1 25 TYR QE 1 103 TRP HZ3 5.350 . 5.350 3.987 2.950 4.601 . 0 0 "[ . 1 . 2]" 1
275 1 53 GLN HE21 1 76 ALA HA 4.480 . 4.480 4.079 3.877 4.217 . 0 0 "[ . 1 . 2]" 1
276 1 19 TYR QE 1 50 ALA HA 4.510 . 4.510 3.576 3.225 3.982 . 0 0 "[ . 1 . 2]" 1
277 1 61 HIS HA 1 88 TYR QD 5.500 . 5.500 4.672 4.313 4.917 . 0 0 "[ . 1 . 2]" 1
278 1 19 TYR QE 1 20 ASP HA 3.930 . 3.930 3.202 2.756 3.673 . 0 0 "[ . 1 . 2]" 1
279 1 12 GLY HA2 1 13 GLN HE21 5.500 . 5.500 2.845 2.635 3.020 . 0 0 "[ . 1 . 2]" 1
280 1 16 LYS HA 1 19 TYR QE 5.170 . 5.170 3.804 3.522 3.999 . 0 0 "[ . 1 . 2]" 1
281 1 33 THR HA 1 42 GLN HE21 3.990 . 3.990 3.230 2.774 3.760 . 0 0 "[ . 1 . 2]" 1
282 1 19 TYR QE 1 23 ALA HA 5.480 . 5.480 3.988 3.788 4.411 . 0 0 "[ . 1 . 2]" 1
283 1 88 TYR HA 1 88 TYR QE 5.500 . 5.500 4.258 4.132 4.394 . 0 0 "[ . 1 . 2]" 1
284 1 16 LYS HA 1 19 TYR QE 5.500 . 5.500 4.124 3.899 4.323 . 0 0 "[ . 1 . 2]" 1
285 1 53 GLN HB3 1 53 GLN HE21 3.880 . 3.880 2.644 1.699 3.918 0.038 9 0 "[ . 1 . 2]" 1
286 1 53 GLN HE21 1 76 ALA MB 2.640 . 2.640 1.919 1.698 2.227 . 0 0 "[ . 1 . 2]" 1
287 1 33 THR MG 1 42 GLN HE21 5.500 . 5.500 3.343 2.801 4.081 . 0 0 "[ . 1 . 2]" 1
288 1 38 VAL MG2 1 42 GLN HE21 5.280 . 5.280 3.393 2.254 4.260 . 0 0 "[ . 1 . 2]" 1
289 1 24 ILE MG 1 25 TYR QE 4.150 . 4.150 2.881 2.723 3.021 . 0 0 "[ . 1 . 2]" 1
290 1 25 TYR QE 1 55 VAL MG1 4.210 . 4.210 2.160 1.815 2.828 . 0 0 "[ . 1 . 2]" 1
291 1 30 PHE QE 1 66 VAL MG2 5.500 . 5.500 4.595 3.346 5.389 . 0 0 "[ . 1 . 2]" 1
292 1 55 VAL QG 1 103 TRP HH2 . . 3.810 3.445 3.006 3.741 . 0 0 "[ . 1 . 2]" 1
293 1 30 PHE QR 1 40 VAL MG1 4.420 . 4.420 3.255 2.554 3.783 . 0 0 "[ . 1 . 2]" 1
294 1 63 ILE QG 1 88 TYR QE 4.030 . 4.030 2.951 2.061 3.664 . 0 0 "[ . 1 . 2]" 1
295 1 30 PHE HZ 1 69 LYS HA 5.190 . 5.190 4.562 4.375 4.682 . 0 0 "[ . 1 . 2]" 1
296 1 29 ILE HA 1 30 PHE QD 3.870 . 3.870 3.479 3.177 3.736 . 0 0 "[ . 1 . 2]" 1
297 1 30 PHE QD 1 58 PHE HA 5.010 . 5.010 4.030 3.231 4.670 . 0 0 "[ . 1 . 2]" 1
298 1 30 PHE QR 1 56 GLY HA2 5.240 . 5.240 2.874 2.618 3.271 . 0 0 "[ . 1 . 2]" 1
299 1 29 ILE MG 1 30 PHE HA 5.500 . 5.500 3.264 3.066 3.510 . 0 0 "[ . 1 . 2]" 1
300 1 13 GLN QG 1 15 ALA H 4.430 . 4.430 4.003 3.574 4.351 . 0 0 "[ . 1 . 2]" 1
301 1 30 PHE QD 1 39 ASN H 5.500 . 5.500 4.377 4.082 4.643 . 0 0 "[ . 1 . 2]" 1
302 1 118 GLN HE21 1 119 HIS H 5.190 . 5.190 3.775 3.168 4.460 . 0 0 "[ . 1 . 2]" 1
303 1 89 ILE HA 1 91 THR H 5.500 . 5.500 3.615 3.373 3.738 . 0 0 "[ . 1 . 2]" 1
304 1 87 LEU H 1 88 TYR HB3 5.280 . 5.280 4.096 3.753 4.301 . 0 0 "[ . 1 . 2]" 1
305 1 63 ILE H 1 65 ASP QB 5.500 . 5.500 3.265 2.453 3.734 . 0 0 "[ . 1 . 2]" 1
306 1 30 PHE QR 1 69 LYS QE 3.980 . 3.980 3.955 3.816 4.001 0.021 2 0 "[ . 1 . 2]" 1
307 1 30 PHE QD 1 39 ASN HB3 4.040 . 4.040 3.266 2.712 3.599 . 0 0 "[ . 1 . 2]" 1
308 1 13 GLN QG 1 14 ASP H 4.820 . 4.820 2.785 2.361 3.185 . 0 0 "[ . 1 . 2]" 1
309 1 63 ILE MD 1 94 GLU H 4.370 . 4.370 2.851 2.660 3.010 . 0 0 "[ . 1 . 2]" 1
310 1 39 ASN HD22 1 42 GLN HB2 4.110 . 4.110 3.588 3.326 4.213 0.103 15 0 "[ . 1 . 2]" 1
311 1 119 HIS H 1 120 VAL MG2 4.740 . 4.740 2.892 2.067 3.493 . 0 0 "[ . 1 . 2]" 1
312 1 27 GLY H 1 55 VAL MG1 4.330 . 4.330 2.935 2.250 3.225 . 0 0 "[ . 1 . 2]" 1
313 1 38 VAL HA 1 39 ASN HD22 5.500 . 5.500 3.195 2.424 4.892 . 0 0 "[ . 1 . 2]" 1
314 1 108 VAL H 1 109 GLY H 4.480 . 4.480 2.879 2.074 3.547 . 0 0 "[ . 1 . 2]" 1
315 1 106 LEU H 1 124 VAL H 4.440 . 4.440 3.032 2.895 3.158 . 0 0 "[ . 1 . 2]" 1
316 1 11 ARG HA 1 14 ASP H 5.500 . 5.500 3.815 3.711 3.952 . 0 0 "[ . 1 . 2]" 1
317 1 11 ARG H 1 11 ARG HB2 3.710 . 3.710 2.470 2.151 2.667 . 0 0 "[ . 1 . 2]" 1
318 1 40 VAL MG1 1 42 GLN H 5.500 . 5.500 4.532 4.322 4.862 . 0 0 "[ . 1 . 2]" 1
319 1 19 TYR QE 1 20 ASP H 5.500 . 5.500 3.681 2.590 4.365 . 0 0 "[ . 1 . 2]" 1
320 1 16 LYS HB2 1 20 ASP H 4.540 . 4.540 3.519 2.960 4.106 . 0 0 "[ . 1 . 2]" 1
321 1 26 GLY H 1 55 VAL MG1 4.790 . 4.790 3.236 2.809 3.394 . 0 0 "[ . 1 . 2]" 1
322 1 5 LYS H 1 5 LYS QD 4.850 . 4.850 3.504 2.958 3.680 . 0 0 "[ . 1 . 2]" 1
323 1 66 VAL HA 1 70 ALA H 4.550 . 4.550 3.573 3.339 3.864 . 0 0 "[ . 1 . 2]" 1
324 1 14 ASP HB3 1 16 LYS H 5.500 . 5.500 3.999 3.739 4.685 . 0 0 "[ . 1 . 2]" 1
325 1 8 GLY H 1 37 CYS HB2 4.660 . 4.660 3.716 3.301 4.046 . 0 0 "[ . 1 . 2]" 1
326 1 86 GLN H 1 89 ILE H 5.500 . 5.500 4.458 4.374 4.535 . 0 0 "[ . 1 . 2]" 1
327 1 19 TYR H 1 19 TYR QE 5.500 . 5.500 4.628 3.920 5.075 . 0 0 "[ . 1 . 2]" 1
328 1 26 GLY H 1 27 GLY H 5.500 . 5.500 3.900 3.765 3.989 . 0 0 "[ . 1 . 2]" 1
329 1 36 ARG H 1 36 ARG QG 4.570 . 4.570 2.817 2.031 3.725 . 0 0 "[ . 1 . 2]" 1
330 1 55 VAL HB 1 77 ALA H 5.500 . 5.500 3.744 3.401 4.031 . 0 0 "[ . 1 . 2]" 1
331 1 73 LEU HB2 1 74 SER H 5.500 . 5.500 3.058 2.597 3.445 . 0 0 "[ . 1 . 2]" 1
332 1 89 ILE MG 1 117 PHE QR 4.650 . 4.650 3.947 3.572 4.323 . 0 0 "[ . 1 . 2]" 1
333 1 71 LYS H 1 74 SER H 5.500 . 5.500 4.181 4.029 4.378 . 0 0 "[ . 1 . 2]" 1
334 1 16 LYS H 1 18 ALA H 5.500 . 5.500 3.617 3.420 3.712 . 0 0 "[ . 1 . 2]" 1
335 1 32 ALA MB 1 33 THR H 4.040 . 4.040 3.143 2.734 3.285 . 0 0 "[ . 1 . 2]" 1
336 1 19 TYR QD 1 51 PRO HA 5.500 . 5.500 3.705 3.050 3.930 . 0 0 "[ . 1 . 2]" 1
337 1 30 PHE QR 1 39 ASN HB2 5.500 . 5.500 3.461 2.720 3.772 . 0 0 "[ . 1 . 2]" 1
338 1 76 ALA MB 1 77 ALA MB 3.150 . 3.150 2.307 2.044 2.444 . 0 0 "[ . 1 . 2]" 1
339 1 31 VAL H 1 38 VAL HA 5.440 . 5.440 4.307 4.096 4.617 . 0 0 "[ . 1 . 2]" 1
340 1 99 HIS H 1 99 HIS HB2 4.100 . 4.100 2.708 2.358 3.480 . 0 0 "[ . 1 . 2]" 1
341 1 77 ALA MB 1 79 GLN H 4.920 . 4.920 3.573 3.418 3.724 . 0 0 "[ . 1 . 2]" 1
342 1 28 LEU HB2 1 29 ILE H 3.760 . 3.760 2.549 2.333 2.893 . 0 0 "[ . 1 . 2]" 1
343 1 15 ALA H 1 17 ALA H 4.500 . 4.500 2.797 2.528 3.428 . 0 0 "[ . 1 . 2]" 1
344 1 54 TYR HA 1 55 VAL HB 5.460 . 5.460 4.318 3.990 4.611 . 0 0 "[ . 1 . 2]" 1
345 1 103 TRP HZ3 1 124 VAL QG 4.400 . 4.400 2.620 2.433 2.788 . 0 0 "[ . 1 . 2]" 1
346 1 29 ILE MG 1 56 GLY HA2 3.690 . 3.690 3.169 3.017 3.275 . 0 0 "[ . 1 . 2]" 1
347 1 28 LEU QD 1 54 TYR HA 5.430 . 5.430 2.909 2.398 3.289 . 0 0 "[ . 1 . 2]" 1
348 1 29 ILE MG 1 56 GLY HA2 3.820 . 3.820 2.963 2.886 3.030 . 0 0 "[ . 1 . 2]" 1
349 1 57 VAL MG2 1 77 ALA MB 5.020 . 5.020 4.071 3.716 5.038 0.018 1 0 "[ . 1 . 2]" 1
350 1 99 HIS HA 1 99 HIS HB2 2.870 . 2.870 1.909 1.832 2.010 . 0 0 "[ . 1 . 2]" 1
351 1 40 VAL MG2 1 44 GLN HB2 3.690 . 3.690 3.412 2.929 3.754 0.064 7 0 "[ . 1 . 2]" 1
352 1 29 ILE HG12 1 29 ILE MG 3.230 . 3.230 1.725 1.653 1.809 . 0 0 "[ . 1 . 2]" 1
353 1 24 ILE HG12 1 24 ILE MG 3.540 . 3.540 2.295 2.240 2.323 . 0 0 "[ . 1 . 2]" 1
354 1 63 ILE MD 1 92 LEU MD1 4.300 . 4.300 1.977 1.797 2.121 . 0 0 "[ . 1 . 2]" 1
355 1 29 ILE HB 1 29 ILE HG13 2.510 . 2.510 1.716 1.626 1.853 . 0 0 "[ . 1 . 2]" 1
356 1 16 LYS HA 1 50 ALA MB 3.380 . 3.380 1.899 1.821 2.040 . 0 0 "[ . 1 . 2]" 1
357 1 43 ALA HA 1 46 VAL HB 2.960 . 2.960 2.159 1.774 2.537 . 0 0 "[ . 1 . 2]" 1
358 1 93 ARG HB3 1 93 ARG HD2 3.990 . 3.990 3.358 2.286 4.022 0.032 7 0 "[ . 1 . 2]" 1
359 1 40 VAL HA 1 40 VAL MG2 3.150 . 3.150 1.953 1.662 2.184 . 0 0 "[ . 1 . 2]" 1
360 1 40 VAL HA 1 40 VAL MG1 3.290 . 3.290 3.038 2.446 3.253 . 0 0 "[ . 1 . 2]" 1
361 1 13 GLN HA 1 13 GLN HB3 2.460 . 2.460 2.005 1.960 2.048 . 0 0 "[ . 1 . 2]" 1
362 1 13 GLN HA 1 13 GLN QG 2.880 . 2.880 2.351 2.076 2.836 . 0 0 "[ . 1 . 2]" 1
363 1 86 GLN HA 1 86 GLN HB3 2.790 . 2.790 2.261 2.176 2.439 . 0 0 "[ . 1 . 2]" 1
364 1 86 GLN HA 1 89 ILE HB 4.470 . 4.470 3.885 3.699 4.029 . 0 0 "[ . 1 . 2]" 1
365 1 15 ALA MB 1 16 LYS HA 4.550 . 4.550 3.238 3.107 3.324 . 0 0 "[ . 1 . 2]" 1
366 1 28 LEU MD1 1 54 TYR HB3 3.060 . 3.060 2.902 2.049 3.114 0.054 2 0 "[ . 1 . 2]" 1
367 1 89 ILE HA 1 92 LEU HB3 5.120 . 5.120 3.849 3.061 4.524 . 0 0 "[ . 1 . 2]" 1
368 1 88 TYR HB3 1 89 ILE MD 4.250 . 4.250 2.517 2.241 3.228 . 0 0 "[ . 1 . 2]" 1
369 1 86 GLN HA 1 89 ILE MD 4.610 . 4.610 2.608 2.247 3.481 . 0 0 "[ . 1 . 2]" 1
370 1 43 ALA HA 1 46 VAL MG1 3.300 . 3.300 2.338 1.657 2.604 . 0 0 "[ . 1 . 2]" 1
371 1 63 ILE MD 1 92 LEU HA 4.150 . 4.150 1.996 1.924 2.104 . 0 0 "[ . 1 . 2]" 1
372 1 6 VAL HA 1 6 VAL HB 2.550 . 2.550 2.428 2.211 2.661 0.111 11 0 "[ . 1 . 2]" 1
373 1 27 GLY HA2 1 28 LEU MD2 3.610 . 3.610 3.141 3.039 3.172 . 0 0 "[ . 1 . 2]" 1
374 1 13 GLN HA 1 13 GLN QG 3.100 . 3.100 2.250 2.017 2.753 . 0 0 "[ . 1 . 2]" 1
375 1 18 ALA HA 1 52 LEU QD 3.920 . 3.920 2.475 2.349 2.596 . 0 0 "[ . 1 . 2]" 1
376 1 67 VAL MG2 1 96 LEU HA 3.360 . 3.360 2.959 2.692 3.341 . 0 0 "[ . 1 . 2]" 1
377 1 19 TYR HA 1 52 LEU HB3 2.790 . 2.790 2.175 2.061 2.245 . 0 0 "[ . 1 . 2]" 1
378 1 53 GLN HA 1 53 GLN QG 2.520 . 2.520 2.231 2.034 2.592 0.072 14 0 "[ . 1 . 2]" 1
379 1 29 ILE HA 1 29 ILE MD 4.200 . 4.200 3.297 2.590 4.139 . 0 0 "[ . 1 . 2]" 1
380 1 29 ILE HA 1 29 ILE MD 4.310 . 4.310 3.155 2.577 3.857 . 0 0 "[ . 1 . 2]" 1
381 1 69 LYS HA 1 72 VAL MG2 2.940 . 2.940 2.355 2.312 2.388 . 0 0 "[ . 1 . 2]" 1
382 1 43 ALA HA 1 46 VAL MG1 2.590 . 2.590 2.369 1.659 2.635 0.045 10 0 "[ . 1 . 2]" 1
383 1 29 ILE HA 1 29 ILE HB 2.850 . 2.850 2.144 1.925 2.415 . 0 0 "[ . 1 . 2]" 1
384 1 69 LYS HA 1 69 LYS HB3 2.510 . 2.510 2.183 2.014 2.276 . 0 0 "[ . 1 . 2]" 1
385 1 84 GLU HB3 1 88 TYR HB3 4.690 . 4.690 3.824 2.926 4.689 . 0 0 "[ . 1 . 2]" 1
386 1 41 GLU HA 1 44 GLN HG3 3.880 . 3.880 2.779 2.471 3.816 . 0 0 "[ . 1 . 2]" 1
387 1 29 ILE HA 1 30 PHE HA 4.650 . 4.650 3.675 3.589 3.770 . 0 0 "[ . 1 . 2]" 1
388 1 76 ALA HA 1 100 VAL MG2 5.260 . 5.260 3.300 3.073 3.608 . 0 0 "[ . 1 . 2]" 1
389 1 55 VAL QG 1 103 TRP HZ3 5.480 . 5.480 2.645 2.278 2.850 . 0 0 "[ . 1 . 2]" 1
390 1 38 VAL MG1 1 40 VAL HA 5.130 . 5.130 2.192 1.740 4.551 . 0 0 "[ . 1 . 2]" 1
391 1 89 ILE HA 1 102 ILE MD 5.000 . 5.000 2.235 1.793 3.637 . 0 0 "[ . 1 . 2]" 1
392 1 69 LYS QD 1 69 LYS HG2 2.250 . 2.250 2.040 1.965 2.170 . 0 0 "[ . 1 . 2]" 1
393 1 63 ILE MD 1 92 LEU MD2 3.430 . 3.430 2.600 2.455 2.901 . 0 0 "[ . 1 . 2]" 1
394 1 42 GLN HB2 1 46 VAL MG1 4.690 . 4.690 4.576 3.856 4.803 0.113 1 0 "[ . 1 . 2]" 1
395 1 17 ALA MB 1 20 ASP HB2 4.880 . 4.880 2.463 2.145 2.776 . 0 0 "[ . 1 . 2]" 1
396 1 18 ALA MB 1 52 LEU HB2 4.190 . 4.190 3.708 3.264 4.220 0.030 1 0 "[ . 1 . 2]" 1
397 1 61 HIS HA 1 66 VAL MG1 5.500 . 5.500 4.486 4.141 4.741 . 0 0 "[ . 1 . 2]" 1
398 1 28 LEU HA 1 29 ILE HG12 5.500 . 5.500 3.318 3.150 3.675 . 0 0 "[ . 1 . 2]" 1
399 1 45 GLU HA 1 47 MET HG3 4.250 . 4.250 3.000 2.859 3.136 . 0 0 "[ . 1 . 2]" 1
400 1 66 VAL MG2 1 70 ALA HA 5.500 . 5.500 4.969 4.669 5.259 . 0 0 "[ . 1 . 2]" 1
401 1 19 TYR HB3 1 52 LEU HG 3.190 . 3.190 2.429 2.083 2.845 . 0 0 "[ . 1 . 2]" 1
402 1 46 VAL HA 1 46 VAL QG 2.820 . 2.820 2.163 2.114 2.274 . 0 0 "[ . 1 . 2]" 1
403 1 63 ILE HA 1 66 VAL HB 4.220 . 4.220 3.286 2.795 3.960 . 0 0 "[ . 1 . 2]" 1
404 1 63 ILE HA 1 63 ILE MD 3.890 . 3.890 2.802 1.840 3.218 . 0 0 "[ . 1 . 2]" 1
405 1 76 ALA MB 1 100 VAL HA 4.760 . 4.760 3.549 3.448 3.665 . 0 0 "[ . 1 . 2]" 1
406 1 29 ILE HA 1 30 PHE HB3 4.900 . 4.900 4.073 3.630 4.993 0.093 7 0 "[ . 1 . 2]" 1
407 1 41 GLU HA 1 41 GLU HG2 3.730 . 3.730 2.732 2.240 3.360 . 0 0 "[ . 1 . 2]" 1
408 1 69 LYS HA 1 69 LYS HG2 3.650 . 3.650 3.187 3.113 3.370 . 0 0 "[ . 1 . 2]" 1
409 1 43 ALA MB 1 44 GLN HA 4.440 . 4.440 3.435 3.053 3.599 . 0 0 "[ . 1 . 2]" 1
410 1 40 VAL MG2 1 44 GLN HA 4.390 . 4.390 2.643 2.198 3.101 . 0 0 "[ . 1 . 2]" 1
411 1 13 GLN HA 1 16 LYS QG 3.670 . 3.670 2.272 1.847 2.779 . 0 0 "[ . 1 . 2]" 1
412 1 28 LEU MD1 1 54 TYR HA 4.510 . 4.510 2.869 2.397 3.332 . 0 0 "[ . 1 . 2]" 1
413 1 92 LEU HA 1 92 LEU HG 3.800 . 3.800 3.115 2.997 3.214 . 0 0 "[ . 1 . 2]" 1
414 1 67 VAL HB 1 68 ASP HA 4.080 . 4.080 2.930 2.248 3.316 . 0 0 "[ . 1 . 2]" 1
415 1 87 LEU HA 1 87 LEU QD 3.710 . 3.710 2.076 1.951 2.200 . 0 0 "[ . 1 . 2]" 1
416 1 30 PHE QR 1 39 ASN HA 4.620 . 4.620 2.327 2.048 2.550 . 0 0 "[ . 1 . 2]" 1
417 1 76 ALA MB 1 77 ALA HA 4.420 . 4.420 2.660 2.515 2.815 . 0 0 "[ . 1 . 2]" 1
418 1 102 ILE MG 1 103 TRP HA 4.320 . 4.320 2.985 2.870 3.147 . 0 0 "[ . 1 . 2]" 1
419 1 13 GLN HA 1 13 GLN HB3 2.760 . 2.760 2.194 2.114 2.266 . 0 0 "[ . 1 . 2]" 1
420 1 13 GLN HA 1 13 GLN QG 3.500 . 3.500 2.520 2.300 3.102 . 0 0 "[ . 1 . 2]" 1
421 1 9 LEU HB2 1 14 ASP HB3 5.500 . 5.500 3.075 2.639 3.842 . 0 0 "[ . 1 . 2]" 1
422 1 9 LEU HB2 1 14 ASP HB2 5.450 . 5.450 4.460 2.855 5.380 . 0 0 "[ . 1 . 2]" 1
423 1 9 LEU MD2 1 14 ASP HB3 3.780 . 3.780 2.261 1.823 3.386 . 0 0 "[ . 1 . 2]" 1
424 1 16 LYS HA 1 16 LYS HE2 4.480 . 4.480 2.364 2.143 2.606 . 0 0 "[ . 1 . 2]" 1
425 1 102 ILE MG 1 104 LYS HA 4.320 . 4.320 3.185 3.001 3.364 . 0 0 "[ . 1 . 2]" 1
426 1 72 VAL MG1 1 73 LEU HA 3.520 . 3.520 1.964 1.820 2.072 . 0 0 "[ . 1 . 2]" 1
427 1 67 VAL QG 1 96 LEU HA . . 3.290 2.959 2.570 3.213 . 0 0 "[ . 1 . 2]" 1
428 1 28 LEU HA 1 28 LEU QD . . 3.600 3.242 3.164 3.405 . 0 0 "[ . 1 . 2]" 1
429 1 40 VAL MG2 1 44 GLN HG2 4.950 . 4.950 3.882 3.188 4.428 . 0 0 "[ . 1 . 2]" 1
430 1 40 VAL MG2 1 44 GLN HB3 5.050 . 5.050 3.960 2.482 4.637 . 0 0 "[ . 1 . 2]" 1
431 1 19 TYR HA 1 52 LEU HG 3.940 . 3.940 3.431 3.383 3.479 . 0 0 "[ . 1 . 2]" 1
432 1 43 ALA HA 1 46 VAL MG1 4.230 . 4.230 2.839 1.663 3.506 . 0 0 "[ . 1 . 2]" 1
433 1 63 ILE HA 1 66 VAL MG2 5.010 . 5.010 2.816 2.039 3.847 . 0 0 "[ . 1 . 2]" 1
434 1 63 ILE HA 1 66 VAL MG1 4.540 . 4.540 3.004 1.844 3.536 . 0 0 "[ . 1 . 2]" 1
435 1 66 VAL MG1 1 67 VAL MG2 4.270 . 4.270 2.080 1.827 2.669 . 0 0 "[ . 1 . 2]" 1
436 1 96 LEU HA 1 100 VAL MG2 4.590 . 4.590 4.218 3.821 4.615 0.025 1 0 "[ . 1 . 2]" 1
437 1 55 VAL QG 1 77 ALA MB 4.200 . 4.200 1.945 1.871 2.102 . 0 0 "[ . 1 . 2]" 1
438 1 46 VAL MG1 1 49 ALA MB 4.120 . 4.120 3.177 2.838 3.796 . 0 0 "[ . 1 . 2]" 1
439 1 67 VAL HB 1 95 ALA MB 3.730 . 3.730 3.278 3.105 3.424 . 0 0 "[ . 1 . 2]" 1
440 1 63 ILE HA 1 95 ALA MB 5.380 . 5.380 4.370 4.227 4.505 . 0 0 "[ . 1 . 2]" 1
441 1 63 ILE MD 1 95 ALA MB 5.220 . 5.220 2.023 1.941 2.143 . 0 0 "[ . 1 . 2]" 1
442 1 70 ALA MB 1 75 LEU QD 3.590 . 3.590 2.569 2.104 3.130 . 0 0 "[ . 1 . 2]" 1
443 1 70 ALA MB 1 75 LEU HB2 4.150 . 4.150 2.773 2.319 2.962 . 0 0 "[ . 1 . 2]" 1
444 1 38 VAL MG2 1 43 ALA MB 3.770 . 3.770 2.840 2.019 3.489 . 0 0 "[ . 1 . 2]" 1
445 1 63 ILE MD 1 91 THR HA 4.040 . 4.040 1.993 1.921 2.099 . 0 0 "[ . 1 . 2]" 1
446 1 89 ILE HA 1 102 ILE MD 5.110 . 5.110 2.276 1.797 4.134 . 0 0 "[ . 1 . 2]" 1
447 1 40 VAL MG1 1 69 LYS QD 4.460 . 4.460 2.607 2.062 3.781 . 0 0 "[ . 1 . 2]" 1
448 1 38 VAL MG1 1 40 VAL MG1 5.450 . 5.450 4.529 4.020 5.428 . 0 0 "[ . 1 . 2]" 1
449 1 44 GLN HG2 1 72 VAL MG1 4.990 . 4.990 4.048 3.383 4.796 . 0 0 "[ . 1 . 2]" 1
450 1 72 VAL MG1 1 73 LEU HA 4.060 . 4.060 1.978 1.824 2.082 . 0 0 "[ . 1 . 2]" 1
451 1 86 GLN HA 1 89 ILE MG 5.500 . 5.500 3.871 2.733 4.676 . 0 0 "[ . 1 . 2]" 1
452 1 24 ILE MD 1 24 ILE MG 3.950 . 3.950 1.953 1.862 2.044 . 0 0 "[ . 1 . 2]" 1
453 1 24 ILE MG 1 25 TYR QE 5.010 . 5.010 3.882 2.985 4.586 . 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 1716
_Distance_constraint_stats_list.Viol_count 3953
_Distance_constraint_stats_list.Viol_total 2436.580
_Distance_constraint_stats_list.Viol_max 0.219
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0308
_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 3 GLU 0.075 0.022 18 0 "[ . 1 . 2]"
1 4 ASN 1.485 0.053 16 0 "[ . 1 . 2]"
1 5 LYS 0.629 0.057 2 0 "[ . 1 . 2]"
1 6 VAL 0.316 0.070 2 0 "[ . 1 . 2]"
1 7 CYS 0.702 0.092 6 0 "[ . 1 . 2]"
1 8 GLY 1.201 0.106 10 0 "[ . 1 . 2]"
1 9 LEU 0.191 0.094 11 0 "[ . 1 . 2]"
1 10 THR 1.599 0.102 9 0 "[ . 1 . 2]"
1 11 ARG 0.533 0.080 13 0 "[ . 1 . 2]"
1 12 GLY 1.925 0.104 4 0 "[ . 1 . 2]"
1 13 GLN 2.637 0.159 19 0 "[ . 1 . 2]"
1 14 ASP 2.791 0.159 19 0 "[ . 1 . 2]"
1 15 ALA 1.141 0.062 17 0 "[ . 1 . 2]"
1 16 LYS 0.528 0.046 2 0 "[ . 1 . 2]"
1 17 ALA 0.101 0.034 9 0 "[ . 1 . 2]"
1 18 ALA 0.473 0.032 1 0 "[ . 1 . 2]"
1 19 TYR 2.882 0.088 11 0 "[ . 1 . 2]"
1 20 ASP 1.340 0.063 11 0 "[ . 1 . 2]"
1 21 ALA 0.311 0.032 12 0 "[ . 1 . 2]"
1 22 GLY 1.288 0.079 1 0 "[ . 1 . 2]"
1 23 ALA 0.448 0.045 6 0 "[ . 1 . 2]"
1 24 ILE 2.105 0.079 1 0 "[ . 1 . 2]"
1 25 TYR 6.107 0.206 8 0 "[ . 1 . 2]"
1 26 GLY 1.592 0.079 4 0 "[ . 1 . 2]"
1 27 GLY 0.431 0.070 2 0 "[ . 1 . 2]"
1 28 LEU 1.614 0.062 11 0 "[ . 1 . 2]"
1 29 ILE 5.020 0.116 2 0 "[ . 1 . 2]"
1 30 PHE 3.893 0.116 2 0 "[ . 1 . 2]"
1 31 VAL 1.526 0.106 5 0 "[ . 1 . 2]"
1 32 ALA 0.323 0.030 18 0 "[ . 1 . 2]"
1 33 THR 0.791 0.049 8 0 "[ . 1 . 2]"
1 34 SER 1.112 0.117 5 0 "[ . 1 . 2]"
1 35 PRO 0.651 0.057 4 0 "[ . 1 . 2]"
1 36 ARG 0.217 0.038 15 0 "[ . 1 . 2]"
1 37 CYS 3.099 0.117 5 0 "[ . 1 . 2]"
1 38 VAL 2.231 0.077 2 0 "[ . 1 . 2]"
1 39 ASN 4.793 0.219 8 0 "[ . 1 . 2]"
1 40 VAL 0.759 0.072 6 0 "[ . 1 . 2]"
1 41 GLU 6.001 0.137 8 0 "[ . 1 . 2]"
1 42 GLN 3.984 0.135 20 0 "[ . 1 . 2]"
1 43 ALA 1.062 0.052 15 0 "[ . 1 . 2]"
1 44 GLN 4.502 0.134 7 0 "[ . 1 . 2]"
1 45 GLU 1.266 0.123 13 0 "[ . 1 . 2]"
1 46 VAL 1.103 0.123 13 0 "[ . 1 . 2]"
1 47 MET 0.204 0.032 20 0 "[ . 1 . 2]"
1 48 ALA 0.125 0.021 3 0 "[ . 1 . 2]"
1 49 ALA 0.061 0.016 15 0 "[ . 1 . 2]"
1 50 ALA 3.006 0.093 14 0 "[ . 1 . 2]"
1 51 PRO 0.216 0.032 10 0 "[ . 1 . 2]"
1 52 LEU 5.803 0.093 14 0 "[ . 1 . 2]"
1 53 GLN 3.116 0.144 5 0 "[ . 1 . 2]"
1 54 TYR 1.612 0.087 8 0 "[ . 1 . 2]"
1 55 VAL 1.426 0.082 17 0 "[ . 1 . 2]"
1 56 GLY 2.672 0.111 16 0 "[ . 1 . 2]"
1 57 VAL 0.932 0.103 7 0 "[ . 1 . 2]"
1 58 PHE 0.529 0.053 14 0 "[ . 1 . 2]"
1 59 ARG 0.021 0.015 18 0 "[ . 1 . 2]"
1 60 ASN 2.287 0.156 15 0 "[ . 1 . 2]"
1 61 HIS 2.779 0.156 15 0 "[ . 1 . 2]"
1 62 ASP 0.770 0.057 8 0 "[ . 1 . 2]"
1 63 ILE 3.878 0.056 14 0 "[ . 1 . 2]"
1 64 ALA 0.645 0.057 8 0 "[ . 1 . 2]"
1 65 ASP 1.518 0.051 16 0 "[ . 1 . 2]"
1 66 VAL 0.313 0.040 14 0 "[ . 1 . 2]"
1 67 VAL 0.682 0.051 16 0 "[ . 1 . 2]"
1 68 ASP 0.149 0.013 12 0 "[ . 1 . 2]"
1 69 LYS 2.226 0.072 6 0 "[ . 1 . 2]"
1 70 ALA 0.617 0.052 13 0 "[ . 1 . 2]"
1 71 LYS 0.591 0.085 20 0 "[ . 1 . 2]"
1 72 VAL 1.060 0.054 12 0 "[ . 1 . 2]"
1 73 LEU 2.194 0.098 11 0 "[ . 1 . 2]"
1 74 SER 0.469 0.047 7 0 "[ . 1 . 2]"
1 75 LEU 2.694 0.128 17 0 "[ . 1 . 2]"
1 76 ALA 2.160 0.073 17 0 "[ . 1 . 2]"
1 77 ALA 2.538 0.066 5 0 "[ . 1 . 2]"
1 78 VAL 4.070 0.125 14 0 "[ . 1 . 2]"
1 79 GLN 6.205 0.135 12 0 "[ . 1 . 2]"
1 80 LEU 1.409 0.191 14 0 "[ . 1 . 2]"
1 81 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 0.630 0.191 14 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.808 0.065 3 0 "[ . 1 . 2]"
1 85 GLU 1.892 0.073 4 0 "[ . 1 . 2]"
1 86 GLN 2.820 0.114 18 0 "[ . 1 . 2]"
1 87 LEU 3.860 0.114 18 0 "[ . 1 . 2]"
1 88 TYR 3.488 0.079 6 0 "[ . 1 . 2]"
1 89 ILE 4.747 0.093 4 0 "[ . 1 . 2]"
1 90 ASP 1.738 0.072 11 0 "[ . 1 . 2]"
1 91 THR 4.008 0.125 10 0 "[ . 1 . 2]"
1 92 LEU 6.500 0.152 10 0 "[ . 1 . 2]"
1 93 ARG 4.226 0.152 10 0 "[ . 1 . 2]"
1 94 GLU 2.810 0.123 16 0 "[ . 1 . 2]"
1 95 ALA 2.010 0.107 7 0 "[ . 1 . 2]"
1 96 LEU 2.013 0.107 7 0 "[ . 1 . 2]"
1 97 PRO 0.686 0.038 20 0 "[ . 1 . 2]"
1 98 ALA 0.871 0.053 14 0 "[ . 1 . 2]"
1 99 HIS 1.670 0.075 18 0 "[ . 1 . 2]"
1 100 VAL 3.788 0.141 4 0 "[ . 1 . 2]"
1 101 ALA 1.834 0.073 17 0 "[ . 1 . 2]"
1 102 ILE 5.189 0.135 12 0 "[ . 1 . 2]"
1 103 TRP 8.005 0.125 14 0 "[ . 1 . 2]"
1 104 LYS 0.583 0.043 13 0 "[ . 1 . 2]"
1 105 ALA 0.555 0.043 13 0 "[ . 1 . 2]"
1 106 LEU 0.686 0.057 20 0 "[ . 1 . 2]"
1 107 SER 0.182 0.035 4 0 "[ . 1 . 2]"
1 108 VAL 0.111 0.017 2 0 "[ . 1 . 2]"
1 109 GLY 0.137 0.071 2 0 "[ . 1 . 2]"
1 110 GLU 0.170 0.071 2 0 "[ . 1 . 2]"
1 111 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 0.253 0.043 4 0 "[ . 1 . 2]"
1 113 PRO 0.158 0.043 4 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 0.348 0.041 9 0 "[ . 1 . 2]"
1 116 GLU 0.654 0.047 4 0 "[ . 1 . 2]"
1 117 PHE 0.792 0.056 4 0 "[ . 1 . 2]"
1 118 GLN 1.462 0.078 6 0 "[ . 1 . 2]"
1 119 HIS 0.496 0.075 7 0 "[ . 1 . 2]"
1 120 VAL 0.788 0.049 6 0 "[ . 1 . 2]"
1 121 ASP 1.369 0.107 11 0 "[ . 1 . 2]"
1 122 LYS 1.967 0.065 18 0 "[ . 1 . 2]"
1 123 TYR 2.190 0.095 3 0 "[ . 1 . 2]"
1 124 VAL 1.022 0.067 4 0 "[ . 1 . 2]"
1 125 LEU 0.321 0.067 4 0 "[ . 1 . 2]"
1 126 ASP 0.175 0.035 4 0 "[ . 1 . 2]"
1 127 ASN 0.815 0.101 5 0 "[ . 1 . 2]"
1 128 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLN 0.057 0.026 17 0 "[ . 1 . 2]"
1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 ALA MB 1 22 GLY H 3.350 . 3.350 2.956 2.833 3.170 . 0 0 "[ . 1 . 2]" 2
2 1 22 GLY H 1 24 ILE HG13 3.850 . 3.850 3.869 3.596 3.929 0.079 1 0 "[ . 1 . 2]" 2
3 1 22 GLY H 1 52 LEU HB3 5.500 . 5.500 5.530 5.504 5.559 0.059 20 0 "[ . 1 . 2]" 2
4 1 25 TYR H 1 26 GLY H 4.390 . 4.390 4.238 4.165 4.341 . 0 0 "[ . 1 . 2]" 2
5 1 25 TYR HA 1 26 GLY H 3.040 . 3.040 2.297 2.214 2.561 . 0 0 "[ . 1 . 2]" 2
6 1 26 GLY H 1 54 TYR HA 3.840 . 3.840 3.028 2.836 3.246 . 0 0 "[ . 1 . 2]" 2
7 1 99 HIS H 1 99 HIS HB2 3.820 . 3.820 2.886 2.450 3.650 . 0 0 "[ . 1 . 2]" 2
8 1 99 HIS H 1 99 HIS HB3 3.820 . 3.820 3.480 2.940 3.652 . 0 0 "[ . 1 . 2]" 2
9 1 97 PRO HB2 1 99 HIS H 3.320 . 3.320 2.397 2.026 2.734 . 0 0 "[ . 1 . 2]" 2
10 1 80 LEU H 1 82 GLY H 5.500 . 5.500 5.431 4.432 5.691 0.191 14 0 "[ . 1 . 2]" 2
11 1 42 GLN HB3 1 42 GLN HE22 5.150 . 5.150 4.621 4.384 5.155 0.005 8 0 "[ . 1 . 2]" 2
12 1 38 VAL MG2 1 42 GLN HE22 5.190 . 5.190 3.729 2.970 5.201 0.011 15 0 "[ . 1 . 2]" 2
13 1 38 VAL MG2 1 42 GLN HE21 4.820 . 4.820 3.902 3.414 4.856 0.036 5 0 "[ . 1 . 2]" 2
14 1 44 GLN H 1 44 GLN HE22 4.530 . 4.530 4.404 4.073 4.551 0.021 8 0 "[ . 1 . 2]" 2
15 1 44 GLN HA 1 44 GLN HE22 4.880 . 4.880 4.092 3.465 5.014 0.134 7 0 "[ . 1 . 2]" 2
16 1 44 GLN HE22 1 72 VAL HB 5.490 . 5.490 4.020 3.518 4.724 . 0 0 "[ . 1 . 2]" 2
17 1 43 ALA MB 1 44 GLN HE22 5.240 . 5.240 4.827 4.066 5.270 0.030 7 0 "[ . 1 . 2]" 2
18 1 44 GLN HE22 1 72 VAL MG1 3.790 . 3.790 2.033 1.816 2.593 . 0 0 "[ . 1 . 2]" 2
19 1 44 GLN HE21 1 73 LEU QD 3.740 . 3.740 2.622 1.953 3.742 0.002 13 0 "[ . 1 . 2]" 2
20 1 39 ASN HD22 1 41 GLU HB3 4.870 . 4.870 3.660 3.418 4.369 . 0 0 "[ . 1 . 2]" 2
21 1 39 ASN HD21 1 41 GLU H 5.170 . 5.170 2.095 1.853 3.479 . 0 0 "[ . 1 . 2]" 2
22 1 39 ASN HD21 1 41 GLU HG2 5.500 . 5.500 3.976 3.570 5.215 . 0 0 "[ . 1 . 2]" 2
23 1 39 ASN HD21 1 41 GLU HB2 4.670 . 4.670 2.208 1.800 3.059 . 0 0 "[ . 1 . 2]" 2
24 1 127 ASN HA 1 127 ASN HD22 3.920 . 3.920 3.752 3.372 3.961 0.041 13 0 "[ . 1 . 2]" 2
25 1 44 GLN H 1 47 MET H 4.820 . 4.820 4.725 4.592 4.846 0.026 11 0 "[ . 1 . 2]" 2
26 1 45 GLU H 1 47 MET H 4.280 . 4.280 3.871 3.741 3.947 . 0 0 "[ . 1 . 2]" 2
27 1 47 MET H 1 49 ALA H 4.800 . 4.800 3.962 3.848 4.079 . 0 0 "[ . 1 . 2]" 2
28 1 46 VAL HB 1 47 MET H 4.040 . 4.040 3.135 2.705 4.051 0.011 2 0 "[ . 1 . 2]" 2
29 1 47 MET H 1 47 MET QB 3.010 . 3.010 2.522 2.465 2.617 . 0 0 "[ . 1 . 2]" 2
30 1 47 MET H 1 48 ALA MB 4.550 . 4.550 4.316 4.216 4.435 . 0 0 "[ . 1 . 2]" 2
31 1 56 GLY H 1 77 ALA H 4.330 . 4.330 4.115 3.979 4.339 0.009 17 0 "[ . 1 . 2]" 2
32 1 30 PHE QE 1 56 GLY H 4.710 . 4.710 4.230 4.007 4.396 . 0 0 "[ . 1 . 2]" 2
33 1 55 VAL HA 1 56 GLY H 3.190 . 3.190 2.237 1.997 2.444 . 0 0 "[ . 1 . 2]" 2
34 1 56 GLY H 1 75 LEU HB2 5.500 . 5.500 5.334 5.089 5.518 0.018 17 0 "[ . 1 . 2]" 2
35 1 55 VAL HB 1 56 GLY H 5.160 . 5.160 4.024 3.965 4.066 . 0 0 "[ . 1 . 2]" 2
36 1 56 GLY H 1 75 LEU QD 3.550 . 3.550 2.918 2.335 3.188 . 0 0 "[ . 1 . 2]" 2
37 1 12 GLY HA3 1 13 GLN HE22 3.280 . 3.280 3.056 2.527 3.322 0.042 7 0 "[ . 1 . 2]" 2
38 1 73 LEU H 1 74 SER H 2.970 . 2.970 2.459 2.300 2.658 . 0 0 "[ . 1 . 2]" 2
39 1 72 VAL H 1 74 SER H 3.950 . 3.950 3.734 3.627 3.841 . 0 0 "[ . 1 . 2]" 2
40 1 74 SER H 1 74 SER HA 2.480 . 2.480 2.206 2.174 2.233 . 0 0 "[ . 1 . 2]" 2
41 1 72 VAL HA 1 74 SER H 4.190 . 4.190 4.083 3.872 4.191 0.001 17 0 "[ . 1 . 2]" 2
42 1 73 LEU HB2 1 74 SER H 4.850 . 4.850 3.827 3.210 4.213 . 0 0 "[ . 1 . 2]" 2
43 1 71 LYS QG 1 74 SER H 4.760 . 4.760 4.773 4.673 4.807 0.047 7 0 "[ . 1 . 2]" 2
44 1 53 GLN HE22 1 53 GLN QG 3.710 . 3.710 3.355 3.187 3.502 . 0 0 "[ . 1 . 2]" 2
45 1 6 VAL HB 1 27 GLY H 4.740 . 4.740 4.626 3.992 4.810 0.070 2 0 "[ . 1 . 2]" 2
46 1 77 ALA HA 1 78 VAL H 3.030 . 3.030 2.254 2.172 2.335 . 0 0 "[ . 1 . 2]" 2
47 1 78 VAL H 1 78 VAL HB 3.870 . 3.870 3.309 3.244 3.366 . 0 0 "[ . 1 . 2]" 2
48 1 78 VAL H 1 101 ALA MB 4.010 . 4.010 3.928 3.785 4.020 0.010 17 0 "[ . 1 . 2]" 2
49 1 77 ALA MB 1 78 VAL H 3.340 . 3.340 2.428 2.283 2.557 . 0 0 "[ . 1 . 2]" 2
50 1 4 ASN H 1 26 GLY HA2 5.050 . 5.050 4.964 4.275 5.103 0.053 16 0 "[ . 1 . 2]" 2
51 1 108 VAL HB 1 109 GLY H 5.340 . 5.340 2.977 2.471 3.462 . 0 0 "[ . 1 . 2]" 2
52 1 79 GLN HE22 1 102 ILE HA 5.500 . 5.500 4.643 4.115 4.895 . 0 0 "[ . 1 . 2]" 2
53 1 50 ALA H 1 52 LEU H 4.380 . 4.380 4.436 4.398 4.473 0.093 14 0 "[ . 1 . 2]" 2
54 1 50 ALA H 1 51 PRO HA 4.890 . 4.890 4.382 4.207 4.500 . 0 0 "[ . 1 . 2]" 2
55 1 47 MET HA 1 50 ALA H 4.050 . 4.050 3.435 2.962 3.715 . 0 0 "[ . 1 . 2]" 2
56 1 46 VAL HA 1 50 ALA H 4.750 . 4.750 4.020 3.682 4.326 . 0 0 "[ . 1 . 2]" 2
57 1 19 TYR HB2 1 50 ALA H 5.500 . 5.500 5.512 5.456 5.538 0.038 6 0 "[ . 1 . 2]" 2
58 1 49 ALA MB 1 50 ALA H 2.990 . 2.990 2.555 2.348 2.789 . 0 0 "[ . 1 . 2]" 2
59 1 49 ALA H 1 50 ALA H 3.190 . 3.190 2.395 2.171 2.709 . 0 0 "[ . 1 . 2]" 2
60 1 44 GLN H 1 46 VAL H 4.820 . 4.820 4.026 3.862 4.169 . 0 0 "[ . 1 . 2]" 2
61 1 41 GLU HA 1 44 GLN H 4.420 . 4.420 3.850 3.596 4.293 . 0 0 "[ . 1 . 2]" 2
62 1 42 GLN HA 1 44 GLN H 4.780 . 4.780 4.057 3.800 4.506 . 0 0 "[ . 1 . 2]" 2
63 1 44 GLN H 1 44 GLN HB3 3.240 . 3.240 2.847 2.705 3.038 . 0 0 "[ . 1 . 2]" 2
64 1 43 ALA MB 1 44 GLN H 3.070 . 3.070 2.826 2.606 2.981 . 0 0 "[ . 1 . 2]" 2
65 1 44 GLN H 1 73 LEU QD 3.450 . 3.450 3.057 2.448 3.515 0.065 13 0 "[ . 1 . 2]" 2
66 1 106 LEU HA 1 107 SER H 3.150 . 3.150 2.166 2.071 2.243 . 0 0 "[ . 1 . 2]" 2
67 1 105 ALA MB 1 107 SER H 4.810 . 4.810 4.351 3.924 4.840 0.030 5 0 "[ . 1 . 2]" 2
68 1 113 PRO QB 1 115 ARG H 3.200 . 3.200 2.897 2.528 3.226 0.026 15 0 "[ . 1 . 2]" 2
69 1 75 LEU H 1 76 ALA H 4.740 . 4.740 4.419 4.330 4.541 . 0 0 "[ . 1 . 2]" 2
70 1 74 SER HA 1 75 LEU H 3.060 . 3.060 2.235 2.124 2.382 . 0 0 "[ . 1 . 2]" 2
71 1 70 ALA HA 1 75 LEU H 3.370 . 3.370 2.606 2.124 2.898 . 0 0 "[ . 1 . 2]" 2
72 1 75 LEU H 1 75 LEU HB2 2.880 . 2.880 2.417 2.061 2.554 . 0 0 "[ . 1 . 2]" 2
73 1 75 LEU H 1 75 LEU HB3 3.650 . 3.650 3.544 3.325 3.605 . 0 0 "[ . 1 . 2]" 2
74 1 75 LEU H 1 75 LEU QD 2.990 . 2.990 2.938 2.018 3.062 0.072 16 0 "[ . 1 . 2]" 2
75 1 71 LYS H 1 73 LEU H 4.420 . 4.420 4.393 4.282 4.429 0.009 10 0 "[ . 1 . 2]" 2
76 1 73 LEU H 1 74 SER HA 4.740 . 4.740 4.579 4.381 4.748 0.008 11 0 "[ . 1 . 2]" 2
77 1 73 LEU H 1 73 LEU QD 3.620 . 3.620 3.122 1.752 3.670 0.050 13 0 "[ . 1 . 2]" 2
78 1 77 ALA H 1 100 VAL HA 4.770 . 4.770 4.585 4.313 4.792 0.022 16 0 "[ . 1 . 2]" 2
79 1 94 GLU H 1 96 LEU H 3.920 . 3.920 3.664 3.453 3.907 . 0 0 "[ . 1 . 2]" 2
80 1 93 ARG H 1 94 GLU H 3.620 . 3.620 2.723 2.422 3.085 . 0 0 "[ . 1 . 2]" 2
81 1 92 LEU HA 1 94 GLU H 3.880 . 3.880 3.907 3.855 3.942 0.062 3 0 "[ . 1 . 2]" 2
82 1 93 ARG HD2 1 94 GLU H 5.500 . 5.500 4.766 4.190 5.584 0.084 20 0 "[ . 1 . 2]" 2
83 1 93 ARG HD3 1 94 GLU H 5.500 . 5.500 4.692 2.708 5.623 0.123 16 0 "[ . 1 . 2]" 2
84 1 94 GLU H 1 94 GLU HG3 3.470 . 3.470 2.190 1.965 3.504 0.034 3 0 "[ . 1 . 2]" 2
85 1 94 GLU H 1 95 ALA MB 4.670 . 4.670 4.256 4.056 4.477 . 0 0 "[ . 1 . 2]" 2
86 1 39 ASN H 1 42 GLN H 3.680 . 3.680 3.360 2.821 3.520 . 0 0 "[ . 1 . 2]" 2
87 1 38 VAL HA 1 39 ASN H 3.070 . 3.070 2.031 1.950 2.138 . 0 0 "[ . 1 . 2]" 2
88 1 39 ASN H 1 39 ASN HB2 4.050 . 4.050 3.668 3.579 3.887 . 0 0 "[ . 1 . 2]" 2
89 1 39 ASN H 1 39 ASN HB3 3.630 . 3.630 3.212 2.850 3.341 . 0 0 "[ . 1 . 2]" 2
90 1 39 ASN H 1 42 GLN HG3 5.130 . 5.130 4.012 2.432 4.745 . 0 0 "[ . 1 . 2]" 2
91 1 39 ASN H 1 42 GLN HB2 2.850 . 2.850 2.812 2.316 2.898 0.048 13 0 "[ . 1 . 2]" 2
92 1 39 ASN H 1 42 GLN HB3 4.560 . 4.560 4.433 4.000 4.566 0.006 5 0 "[ . 1 . 2]" 2
93 1 39 ASN H 1 43 ALA MB 4.780 . 4.780 4.270 4.039 4.533 . 0 0 "[ . 1 . 2]" 2
94 1 38 VAL MG2 1 39 ASN H 3.440 . 3.440 3.143 2.990 3.444 0.004 8 0 "[ . 1 . 2]" 2
95 1 33 THR H 1 34 SER H 3.400 . 3.400 2.793 2.650 3.284 . 0 0 "[ . 1 . 2]" 2
96 1 25 TYR HB2 1 53 GLN H 5.060 . 5.060 4.273 3.971 4.536 . 0 0 "[ . 1 . 2]" 2
97 1 31 VAL HB 1 34 SER H 3.900 . 3.900 3.800 3.669 4.006 0.106 5 0 "[ . 1 . 2]" 2
98 1 8 GLY QA 1 36 ARG H 4.650 . 4.650 3.825 3.430 4.510 . 0 0 "[ . 1 . 2]" 2
99 1 36 ARG H 1 36 ARG HB2 4.190 . 4.190 3.018 2.456 3.845 . 0 0 "[ . 1 . 2]" 2
100 1 64 ALA HA 1 67 VAL H 3.900 . 3.900 3.326 3.018 3.773 . 0 0 "[ . 1 . 2]" 2
101 1 63 ILE QG 1 67 VAL H 4.270 . 4.270 3.876 3.701 4.038 . 0 0 "[ . 1 . 2]" 2
102 1 31 VAL H 1 34 SER H 5.000 . 5.000 4.751 4.470 5.046 0.046 8 0 "[ . 1 . 2]" 2
103 1 103 TRP HA 1 122 LYS H 3.700 . 3.700 2.448 2.265 2.696 . 0 0 "[ . 1 . 2]" 2
104 1 120 VAL HA 1 122 LYS H 4.270 . 4.270 4.265 4.096 4.319 0.049 9 0 "[ . 1 . 2]" 2
105 1 121 ASP HB2 1 122 LYS H 4.400 . 4.400 3.726 2.577 4.134 . 0 0 "[ . 1 . 2]" 2
106 1 121 ASP HB3 1 122 LYS H 4.400 . 4.400 2.929 2.550 3.941 . 0 0 "[ . 1 . 2]" 2
107 1 120 VAL MG2 1 122 LYS H 3.430 . 3.430 3.279 2.945 3.462 0.032 18 0 "[ . 1 . 2]" 2
108 1 48 ALA H 1 48 ALA MB 2.440 . 2.440 2.268 2.238 2.299 . 0 0 "[ . 1 . 2]" 2
109 1 46 VAL MG1 1 48 ALA H 5.300 . 5.300 4.662 4.291 4.863 . 0 0 "[ . 1 . 2]" 2
110 1 46 VAL MG2 1 48 ALA H 5.300 . 5.300 5.102 4.768 5.306 0.006 3 0 "[ . 1 . 2]" 2
111 1 53 GLN H 1 53 GLN QG 3.490 . 3.490 3.489 2.707 3.634 0.144 5 0 "[ . 1 . 2]" 2
112 1 69 LYS H 1 70 ALA H 3.540 . 3.540 2.620 2.533 2.728 . 0 0 "[ . 1 . 2]" 2
113 1 65 ASP HA 1 69 LYS H 5.330 . 5.330 4.253 3.942 4.611 . 0 0 "[ . 1 . 2]" 2
114 1 67 VAL HA 1 69 LYS H 5.310 . 5.310 4.624 4.330 4.895 . 0 0 "[ . 1 . 2]" 2
115 1 69 LYS H 1 69 LYS HB3 3.780 . 3.780 3.625 3.610 3.660 . 0 0 "[ . 1 . 2]" 2
116 1 69 LYS H 1 69 LYS QD 3.170 . 3.170 3.106 2.619 3.185 0.015 11 0 "[ . 1 . 2]" 2
117 1 69 LYS H 1 69 LYS HB2 3.010 . 3.010 2.650 2.590 2.843 . 0 0 "[ . 1 . 2]" 2
118 1 102 ILE H 1 121 ASP HB2 4.450 . 4.450 2.761 2.487 3.293 . 0 0 "[ . 1 . 2]" 2
119 1 102 ILE H 1 121 ASP HB3 4.450 . 4.450 3.057 2.405 4.261 . 0 0 "[ . 1 . 2]" 2
120 1 102 ILE H 1 102 ILE HB 3.850 . 3.850 2.571 2.465 2.642 . 0 0 "[ . 1 . 2]" 2
121 1 102 ILE H 1 102 ILE MG 4.000 . 4.000 3.686 3.595 3.751 . 0 0 "[ . 1 . 2]" 2
122 1 102 ILE H 1 102 ILE MD 4.430 . 4.430 3.733 2.718 4.242 . 0 0 "[ . 1 . 2]" 2
123 1 30 PHE QD 1 40 VAL H 4.740 . 4.740 2.585 2.304 3.049 . 0 0 "[ . 1 . 2]" 2
124 1 39 ASN H 1 40 VAL H 4.880 . 4.880 4.409 4.179 4.477 . 0 0 "[ . 1 . 2]" 2
125 1 39 ASN HB2 1 40 VAL H 3.590 . 3.590 2.168 1.972 2.356 . 0 0 "[ . 1 . 2]" 2
126 1 39 ASN HB3 1 40 VAL H 3.520 . 3.520 3.437 3.288 3.556 0.036 7 0 "[ . 1 . 2]" 2
127 1 40 VAL H 1 40 VAL HB 3.150 . 3.150 2.471 2.281 2.685 . 0 0 "[ . 1 . 2]" 2
128 1 40 VAL H 1 43 ALA MB 4.560 . 4.560 4.147 3.886 4.519 . 0 0 "[ . 1 . 2]" 2
129 1 70 ALA H 1 71 LYS H 3.270 . 3.270 2.646 2.519 2.751 . 0 0 "[ . 1 . 2]" 2
130 1 71 LYS H 1 72 VAL H 3.200 . 3.200 2.565 2.493 2.676 . 0 0 "[ . 1 . 2]" 2
131 1 68 ASP HA 1 71 LYS H 3.930 . 3.930 3.777 3.280 3.936 0.006 12 0 "[ . 1 . 2]" 2
132 1 67 VAL HA 1 71 LYS H 4.650 . 4.650 4.004 3.870 4.128 . 0 0 "[ . 1 . 2]" 2
133 1 70 ALA MB 1 71 LYS H 2.970 . 2.970 2.654 2.516 2.813 . 0 0 "[ . 1 . 2]" 2
134 1 91 THR H 1 92 LEU H 3.370 . 3.370 2.353 2.248 2.466 . 0 0 "[ . 1 . 2]" 2
135 1 90 ASP H 1 91 THR H 3.580 . 3.580 2.479 2.308 2.594 . 0 0 "[ . 1 . 2]" 2
136 1 91 THR H 1 91 THR HB 3.180 . 3.180 2.350 2.305 2.408 . 0 0 "[ . 1 . 2]" 2
137 1 90 ASP HB3 1 91 THR H 3.520 . 3.520 3.017 2.894 3.199 . 0 0 "[ . 1 . 2]" 2
138 1 90 ASP HB2 1 91 THR H 3.950 . 3.950 3.947 3.898 3.984 0.034 17 0 "[ . 1 . 2]" 2
139 1 91 THR H 1 92 LEU HB2 4.210 . 4.210 4.218 4.117 4.245 0.035 2 0 "[ . 1 . 2]" 2
140 1 91 THR H 1 91 THR MG 3.920 . 3.920 3.650 3.615 3.700 . 0 0 "[ . 1 . 2]" 2
141 1 63 ILE MD 1 91 THR H 4.690 . 4.690 4.560 4.446 4.600 . 0 0 "[ . 1 . 2]" 2
142 1 62 ASP HB3 1 65 ASP H 4.510 . 4.510 2.814 2.342 3.222 . 0 0 "[ . 1 . 2]" 2
143 1 48 ALA MB 1 49 ALA H 3.450 . 3.450 2.981 2.770 3.294 . 0 0 "[ . 1 . 2]" 2
144 1 64 ALA MB 1 65 ASP H 3.730 . 3.730 2.994 2.893 3.145 . 0 0 "[ . 1 . 2]" 2
145 1 65 ASP H 1 67 VAL H 3.660 . 3.660 3.687 3.663 3.711 0.051 16 0 "[ . 1 . 2]" 2
146 1 48 ALA H 1 49 ALA H 2.680 . 2.680 2.211 2.109 2.342 . 0 0 "[ . 1 . 2]" 2
147 1 49 ALA H 1 49 ALA MB 2.640 . 2.640 2.302 2.228 2.410 . 0 0 "[ . 1 . 2]" 2
148 1 118 GLN HA 1 120 VAL H 3.900 . 3.900 3.173 2.854 3.488 . 0 0 "[ . 1 . 2]" 2
149 1 10 THR H 1 11 ARG H 3.110 . 3.110 1.877 1.662 2.064 . 0 0 "[ . 1 . 2]" 2
150 1 11 ARG H 1 11 ARG QG 3.180 . 3.180 2.653 2.196 3.171 . 0 0 "[ . 1 . 2]" 2
151 1 86 GLN HB2 1 87 LEU H 3.410 . 3.410 2.483 2.114 3.463 0.053 6 0 "[ . 1 . 2]" 2
152 1 86 GLN HB3 1 87 LEU H 3.410 . 3.410 3.355 2.202 3.445 0.035 3 0 "[ . 1 . 2]" 2
153 1 87 LEU H 1 87 LEU QB 2.690 . 2.690 2.411 2.347 2.454 . 0 0 "[ . 1 . 2]" 2
154 1 16 LYS H 1 17 ALA H 3.300 . 3.300 2.704 2.578 2.772 . 0 0 "[ . 1 . 2]" 2
155 1 15 ALA H 1 16 LYS H 3.220 . 3.220 2.609 2.429 2.748 . 0 0 "[ . 1 . 2]" 2
156 1 14 ASP H 1 16 LYS H 4.340 . 4.340 3.699 3.488 4.003 . 0 0 "[ . 1 . 2]" 2
157 1 14 ASP HA 1 16 LYS H 4.730 . 4.730 4.297 3.697 4.672 . 0 0 "[ . 1 . 2]" 2
158 1 16 LYS H 1 16 LYS QG 2.860 . 2.860 2.295 2.031 2.622 . 0 0 "[ . 1 . 2]" 2
159 1 16 LYS H 1 50 ALA MB 4.050 . 4.050 3.301 3.094 3.525 . 0 0 "[ . 1 . 2]" 2
160 1 34 SER H 1 37 CYS H 4.480 . 4.480 4.465 4.181 4.541 0.061 2 0 "[ . 1 . 2]" 2
161 1 36 ARG H 1 37 CYS H 3.460 . 3.460 2.086 1.786 2.402 . 0 0 "[ . 1 . 2]" 2
162 1 35 PRO HA 1 37 CYS H 3.700 . 3.700 3.620 3.165 3.757 0.057 4 0 "[ . 1 . 2]" 2
163 1 37 CYS H 1 37 CYS HB2 3.220 . 3.220 2.741 2.584 2.901 . 0 0 "[ . 1 . 2]" 2
164 1 68 ASP HA 1 70 ALA H 4.830 . 4.830 4.649 4.473 4.806 . 0 0 "[ . 1 . 2]" 2
165 1 70 ALA H 1 71 LYS HA 5.500 . 5.500 5.268 5.182 5.324 . 0 0 "[ . 1 . 2]" 2
166 1 67 VAL HA 1 70 ALA H 3.900 . 3.900 3.587 3.247 3.886 . 0 0 "[ . 1 . 2]" 2
167 1 69 LYS HB3 1 70 ALA H 4.000 . 4.000 3.706 3.594 3.796 . 0 0 "[ . 1 . 2]" 2
168 1 70 ALA H 1 70 ALA MB 2.800 . 2.800 2.200 2.102 2.242 . 0 0 "[ . 1 . 2]" 2
169 1 70 ALA H 1 75 LEU QD 3.770 . 3.770 3.345 3.027 3.789 0.019 4 0 "[ . 1 . 2]" 2
170 1 13 GLN QG 1 14 ASP H 4.930 . 4.930 4.152 2.537 4.778 . 0 0 "[ . 1 . 2]" 2
171 1 11 ARG HB2 1 14 ASP H 3.630 . 3.630 3.090 2.692 3.487 . 0 0 "[ . 1 . 2]" 2
172 1 11 ARG HB3 1 14 ASP H 3.630 . 3.630 2.906 2.339 3.278 . 0 0 "[ . 1 . 2]" 2
173 1 68 ASP H 1 69 LYS H 3.170 . 3.170 2.883 2.511 2.981 . 0 0 "[ . 1 . 2]" 2
174 1 64 ALA HA 1 68 ASP H 4.840 . 4.840 3.927 3.694 4.372 . 0 0 "[ . 1 . 2]" 2
175 1 67 VAL HB 1 68 ASP H 3.130 . 3.130 2.632 2.434 2.987 . 0 0 "[ . 1 . 2]" 2
176 1 63 ILE H 1 64 ALA H 3.320 . 3.320 2.626 2.483 2.706 . 0 0 "[ . 1 . 2]" 2
177 1 64 ALA H 1 66 VAL H 4.790 . 4.790 4.080 3.823 4.314 . 0 0 "[ . 1 . 2]" 2
178 1 64 ALA H 1 65 ASP H 3.160 . 3.160 2.410 2.259 2.503 . 0 0 "[ . 1 . 2]" 2
179 1 62 ASP HA 1 64 ALA H 3.650 . 3.650 3.652 3.528 3.707 0.057 8 0 "[ . 1 . 2]" 2
180 1 64 ALA H 1 64 ALA MB 2.560 . 2.560 2.254 2.206 2.313 . 0 0 "[ . 1 . 2]" 2
181 1 63 ILE QG 1 64 ALA H 4.130 . 4.130 3.758 3.507 3.916 . 0 0 "[ . 1 . 2]" 2
182 1 64 ALA H 1 65 ASP QB 4.200 . 4.200 4.170 3.955 4.230 0.030 3 0 "[ . 1 . 2]" 2
183 1 123 TYR HA 1 124 VAL H 3.570 . 3.570 2.193 2.086 2.378 . 0 0 "[ . 1 . 2]" 2
184 1 124 VAL H 1 124 VAL HB 3.960 . 3.960 3.700 3.098 3.901 . 0 0 "[ . 1 . 2]" 2
185 1 124 VAL H 1 124 VAL QG 3.360 . 3.360 2.281 2.190 2.559 . 0 0 "[ . 1 . 2]" 2
186 1 86 GLN H 1 86 GLN HB2 3.400 . 3.400 2.260 2.155 2.432 . 0 0 "[ . 1 . 2]" 2
187 1 86 GLN H 1 86 GLN HB3 3.400 . 3.400 3.399 2.403 3.478 0.078 17 0 "[ . 1 . 2]" 2
188 1 86 GLN H 1 87 LEU QB 5.230 . 5.230 4.325 4.126 4.510 . 0 0 "[ . 1 . 2]" 2
189 1 43 ALA HA 1 46 VAL H 3.510 . 3.510 3.103 2.796 3.510 0.000 13 0 "[ . 1 . 2]" 2
190 1 46 VAL H 1 46 VAL HB 3.030 . 3.030 2.554 2.196 2.779 . 0 0 "[ . 1 . 2]" 2
191 1 66 VAL H 1 67 VAL H 3.400 . 3.400 2.522 2.361 2.645 . 0 0 "[ . 1 . 2]" 2
192 1 65 ASP H 1 66 VAL H 3.120 . 3.120 2.248 2.162 2.359 . 0 0 "[ . 1 . 2]" 2
193 1 64 ALA HA 1 66 VAL H 5.160 . 5.160 4.271 3.876 4.700 . 0 0 "[ . 1 . 2]" 2
194 1 63 ILE HA 1 66 VAL H 3.690 . 3.690 3.286 3.155 3.437 . 0 0 "[ . 1 . 2]" 2
195 1 66 VAL H 1 66 VAL HB 3.150 . 3.150 2.631 2.532 2.706 . 0 0 "[ . 1 . 2]" 2
196 1 64 ALA MB 1 66 VAL H 5.070 . 5.070 4.655 4.451 4.872 . 0 0 "[ . 1 . 2]" 2
197 1 63 ILE QG 1 66 VAL H 4.790 . 4.790 4.496 4.276 4.795 0.005 4 0 "[ . 1 . 2]" 2
198 1 15 ALA H 1 17 ALA H 4.310 . 4.310 4.097 3.740 4.321 0.011 10 0 "[ . 1 . 2]" 2
199 1 17 ALA H 1 17 ALA MB 2.450 . 2.450 2.235 2.204 2.270 . 0 0 "[ . 1 . 2]" 2
200 1 93 ARG H 1 95 ALA H 4.920 . 4.920 4.393 4.259 4.599 . 0 0 "[ . 1 . 2]" 2
201 1 92 LEU HA 1 95 ALA H 4.020 . 4.020 3.507 3.334 3.670 . 0 0 "[ . 1 . 2]" 2
202 1 94 GLU QB 1 95 ALA H 2.880 . 2.880 2.576 2.252 2.792 . 0 0 "[ . 1 . 2]" 2
203 1 95 ALA H 1 95 ALA MB 2.850 . 2.850 2.368 2.308 2.431 . 0 0 "[ . 1 . 2]" 2
204 1 91 THR MG 1 95 ALA H 5.400 . 5.400 4.256 3.963 4.475 . 0 0 "[ . 1 . 2]" 2
205 1 63 ILE QG 1 95 ALA H 4.570 . 4.570 4.441 4.272 4.585 0.015 1 0 "[ . 1 . 2]" 2
206 1 72 VAL H 1 73 LEU H 3.230 . 3.230 3.005 2.888 3.146 . 0 0 "[ . 1 . 2]" 2
207 1 68 ASP HA 1 72 VAL H 4.180 . 4.180 3.876 3.750 4.043 . 0 0 "[ . 1 . 2]" 2
208 1 71 LYS QB 1 72 VAL H 2.730 . 2.730 2.246 2.084 2.526 . 0 0 "[ . 1 . 2]" 2
209 1 72 VAL H 1 72 VAL HB 3.070 . 3.070 2.642 2.579 2.725 . 0 0 "[ . 1 . 2]" 2
210 1 71 LYS QG 1 72 VAL H 4.210 . 4.210 3.218 2.866 3.438 . 0 0 "[ . 1 . 2]" 2
211 1 72 VAL H 1 72 VAL MG2 2.750 . 2.750 2.030 1.917 2.097 . 0 0 "[ . 1 . 2]" 2
212 1 39 ASN HA 1 42 GLN H 5.420 . 5.420 4.946 4.730 5.135 . 0 0 "[ . 1 . 2]" 2
213 1 38 VAL HA 1 42 GLN H 5.250 . 5.250 4.898 4.292 5.131 . 0 0 "[ . 1 . 2]" 2
214 1 42 GLN H 1 42 GLN HB2 2.810 . 2.810 2.355 2.135 2.699 . 0 0 "[ . 1 . 2]" 2
215 1 41 GLU HB2 1 42 GLN H 3.120 . 3.120 2.389 1.905 2.779 . 0 0 "[ . 1 . 2]" 2
216 1 42 GLN H 1 43 ALA MB 4.530 . 4.530 4.114 3.813 4.311 . 0 0 "[ . 1 . 2]" 2
217 1 38 VAL MG2 1 42 GLN H 4.310 . 4.310 4.248 4.156 4.354 0.044 7 0 "[ . 1 . 2]" 2
218 1 38 VAL MG1 1 42 GLN H 3.800 . 3.800 3.516 3.285 3.754 . 0 0 "[ . 1 . 2]" 2
219 1 89 ILE H 1 117 PHE QD 5.430 . 5.430 4.430 3.668 5.409 . 0 0 "[ . 1 . 2]" 2
220 1 88 TYR QD 1 89 ILE H 3.850 . 3.850 3.878 3.826 3.906 0.056 11 0 "[ . 1 . 2]" 2
221 1 89 ILE H 1 89 ILE HB 3.520 . 3.520 2.364 2.162 2.443 . 0 0 "[ . 1 . 2]" 2
222 1 89 ILE H 1 89 ILE MG 3.910 . 3.910 3.738 3.584 3.794 . 0 0 "[ . 1 . 2]" 2
223 1 21 ALA H 1 22 GLY H 3.210 . 3.210 2.614 2.538 2.710 . 0 0 "[ . 1 . 2]" 2
224 1 21 ALA H 1 23 ALA H 3.940 . 3.940 3.772 3.584 3.942 0.002 12 0 "[ . 1 . 2]" 2
225 1 19 TYR H 1 21 ALA H 4.440 . 4.440 3.895 3.741 4.177 . 0 0 "[ . 1 . 2]" 2
226 1 20 ASP H 1 21 ALA H 3.260 . 3.260 2.622 2.500 2.863 . 0 0 "[ . 1 . 2]" 2
227 1 19 TYR HA 1 21 ALA H 3.930 . 3.930 3.825 3.525 3.954 0.024 4 0 "[ . 1 . 2]" 2
228 1 20 ASP HB2 1 21 ALA H 4.050 . 4.050 3.947 2.819 4.076 0.026 2 0 "[ . 1 . 2]" 2
229 1 19 TYR HB3 1 21 ALA H 5.400 . 5.400 5.136 5.031 5.220 . 0 0 "[ . 1 . 2]" 2
230 1 21 ALA H 1 21 ALA MB 2.600 . 2.600 2.239 2.167 2.262 . 0 0 "[ . 1 . 2]" 2
231 1 45 GLU H 1 46 VAL H 2.980 . 2.980 2.305 2.112 2.480 . 0 0 "[ . 1 . 2]" 2
232 1 44 GLN H 1 45 GLU H 3.040 . 3.040 2.584 2.473 2.836 . 0 0 "[ . 1 . 2]" 2
233 1 45 GLU H 1 48 ALA MB 5.500 . 5.500 5.378 5.111 5.521 0.021 3 0 "[ . 1 . 2]" 2
234 1 45 GLU H 1 73 LEU QD 5.070 . 5.070 4.636 4.216 5.049 . 0 0 "[ . 1 . 2]" 2
235 1 18 ALA H 1 19 TYR HB3 4.730 . 4.730 4.192 4.001 4.344 . 0 0 "[ . 1 . 2]" 2
236 1 18 ALA H 1 52 LEU QD 3.850 . 3.850 3.670 3.406 3.856 0.006 4 0 "[ . 1 . 2]" 2
237 1 4 ASN QB 1 18 ALA H 5.500 . 5.500 4.722 3.603 5.157 . 0 0 "[ . 1 . 2]" 2
238 1 95 ALA H 1 96 LEU H 2.900 . 2.900 2.239 2.141 2.372 . 0 0 "[ . 1 . 2]" 2
239 1 95 ALA HA 1 96 LEU H 3.190 . 3.190 3.243 3.171 3.297 0.107 7 0 "[ . 1 . 2]" 2
240 1 94 GLU QB 1 96 LEU H 4.810 . 4.810 4.417 4.232 4.583 . 0 0 "[ . 1 . 2]" 2
241 1 93 ARG HA 1 96 LEU H 4.390 . 4.390 3.738 3.162 4.200 . 0 0 "[ . 1 . 2]" 2
242 1 94 GLU HA 1 96 LEU H 5.040 . 5.040 4.204 3.774 4.590 . 0 0 "[ . 1 . 2]" 2
243 1 41 GLU H 1 42 GLN H 2.930 . 2.930 2.797 2.524 2.945 0.015 2 0 "[ . 1 . 2]" 2
244 1 39 ASN HB2 1 41 GLU H 4.570 . 4.570 3.115 2.935 3.837 . 0 0 "[ . 1 . 2]" 2
245 1 41 GLU H 1 43 ALA MB 4.670 . 4.670 4.409 4.156 4.686 0.016 8 0 "[ . 1 . 2]" 2
246 1 40 VAL MG1 1 41 GLU H 4.020 . 4.020 2.665 2.255 3.616 . 0 0 "[ . 1 . 2]" 2
247 1 40 VAL MG2 1 41 GLU H 4.020 . 4.020 3.794 3.430 4.027 0.007 20 0 "[ . 1 . 2]" 2
248 1 39 ASN HB3 1 41 GLU H 4.550 . 4.550 4.581 4.134 4.633 0.083 18 0 "[ . 1 . 2]" 2
249 1 18 ALA H 1 19 TYR H 3.190 . 3.190 2.397 2.216 2.512 . 0 0 "[ . 1 . 2]" 2
250 1 19 TYR H 1 19 TYR QD 3.710 . 3.710 3.675 3.442 3.747 0.037 10 0 "[ . 1 . 2]" 2
251 1 19 TYR H 1 19 TYR HB3 3.230 . 3.230 2.085 2.023 2.162 . 0 0 "[ . 1 . 2]" 2
252 1 19 TYR H 1 19 TYR HB2 3.250 . 3.250 3.144 3.045 3.253 0.003 15 0 "[ . 1 . 2]" 2
253 1 18 ALA MB 1 19 TYR H 3.160 . 3.160 2.508 2.332 2.751 . 0 0 "[ . 1 . 2]" 2
254 1 19 TYR H 1 52 LEU QD 3.800 . 3.800 2.347 2.172 2.492 . 0 0 "[ . 1 . 2]" 2
255 1 19 TYR H 1 52 LEU HB3 4.450 . 4.450 4.385 4.079 4.483 0.033 11 0 "[ . 1 . 2]" 2
256 1 4 ASN QB 1 19 TYR H 4.860 . 4.860 4.736 4.362 4.900 0.040 13 0 "[ . 1 . 2]" 2
257 1 19 TYR H 1 52 LEU HG 5.090 . 5.090 4.693 4.521 4.975 . 0 0 "[ . 1 . 2]" 2
258 1 19 TYR H 1 50 ALA MB 3.540 . 3.540 3.128 2.926 3.331 . 0 0 "[ . 1 . 2]" 2
259 1 117 PHE H 1 117 PHE HB3 3.920 . 3.920 3.753 3.545 3.878 . 0 0 "[ . 1 . 2]" 2
260 1 117 PHE H 1 117 PHE HB2 3.920 . 3.920 2.685 2.413 2.880 . 0 0 "[ . 1 . 2]" 2
261 1 116 GLU HB3 1 117 PHE H 3.860 . 3.860 3.194 2.416 3.907 0.047 4 0 "[ . 1 . 2]" 2
262 1 116 GLU HB2 1 117 PHE H 3.070 . 3.070 2.069 1.698 2.948 . 0 0 "[ . 1 . 2]" 2
263 1 89 ILE H 1 90 ASP H 3.590 . 3.590 2.504 2.466 2.601 . 0 0 "[ . 1 . 2]" 2
264 1 90 ASP H 1 90 ASP HB3 3.500 . 3.500 2.513 2.389 2.679 . 0 0 "[ . 1 . 2]" 2
265 1 90 ASP H 1 90 ASP HB2 3.410 . 3.410 2.352 2.255 2.412 . 0 0 "[ . 1 . 2]" 2
266 1 89 ILE HB 1 90 ASP H 4.030 . 4.030 2.685 2.435 2.933 . 0 0 "[ . 1 . 2]" 2
267 1 89 ILE MG 1 90 ASP H 3.950 . 3.950 3.277 3.064 3.419 . 0 0 "[ . 1 . 2]" 2
268 1 87 LEU QB 1 90 ASP H 4.460 . 4.460 4.448 4.232 4.523 0.063 4 0 "[ . 1 . 2]" 2
269 1 39 ASN H 1 43 ALA H 4.100 . 4.100 3.867 3.350 4.084 . 0 0 "[ . 1 . 2]" 2
270 1 43 ALA H 1 45 GLU H 4.370 . 4.370 4.270 4.075 4.422 0.052 15 0 "[ . 1 . 2]" 2
271 1 43 ALA H 1 44 GLN HE21 5.410 . 5.410 5.003 4.752 5.403 . 0 0 "[ . 1 . 2]" 2
272 1 38 VAL HA 1 43 ALA H 5.250 . 5.250 5.038 4.592 5.254 0.004 7 0 "[ . 1 . 2]" 2
273 1 42 GLN HB2 1 43 ALA H 3.210 . 3.210 2.544 2.100 2.734 . 0 0 "[ . 1 . 2]" 2
274 1 42 GLN HB3 1 43 ALA H 3.990 . 3.990 3.591 3.250 3.769 . 0 0 "[ . 1 . 2]" 2
275 1 43 ALA H 1 43 ALA MB 2.930 . 2.930 2.222 2.144 2.251 . 0 0 "[ . 1 . 2]" 2
276 1 38 VAL MG1 1 43 ALA H 4.030 . 4.030 2.353 2.204 2.636 . 0 0 "[ . 1 . 2]" 2
277 1 4 ASN HA 1 5 LYS H 2.740 . 2.740 2.662 2.439 2.773 0.033 1 0 "[ . 1 . 2]" 2
278 1 116 GLU H 1 116 GLU HG3 4.670 . 4.670 3.293 2.374 4.682 0.012 14 0 "[ . 1 . 2]" 2
279 1 116 GLU H 1 116 GLU HG2 4.670 . 4.670 3.802 2.542 4.283 . 0 0 "[ . 1 . 2]" 2
280 1 116 GLU H 1 116 GLU HB2 3.780 . 3.780 2.856 2.384 3.785 0.005 4 0 "[ . 1 . 2]" 2
281 1 60 ASN QB 1 61 HIS H 4.040 . 4.040 3.071 2.102 3.619 . 0 0 "[ . 1 . 2]" 2
282 1 37 CYS HA 1 38 VAL H 2.900 . 2.900 2.419 2.190 2.721 . 0 0 "[ . 1 . 2]" 2
283 1 38 VAL H 1 38 VAL MG1 3.490 . 3.490 3.457 3.363 3.518 0.028 8 0 "[ . 1 . 2]" 2
284 1 125 LEU HA 1 126 ASP H 3.370 . 3.370 2.304 2.143 2.624 . 0 0 "[ . 1 . 2]" 2
285 1 125 LEU QD 1 126 ASP H 4.140 . 4.140 3.202 2.094 4.144 0.004 8 0 "[ . 1 . 2]" 2
286 1 124 VAL QG 1 126 ASP H 5.240 . 5.240 4.742 4.270 5.251 0.011 16 0 "[ . 1 . 2]" 2
287 1 84 GLU HA 1 85 GLU H 3.560 . 3.560 3.573 3.544 3.586 0.026 14 0 "[ . 1 . 2]" 2
288 1 85 GLU H 1 85 GLU HB3 3.920 . 3.920 3.278 3.147 3.485 . 0 0 "[ . 1 . 2]" 2
289 1 30 PHE H 1 31 VAL H 4.420 . 4.420 3.862 3.497 4.065 . 0 0 "[ . 1 . 2]" 2
290 1 31 VAL H 1 31 VAL HB 3.280 . 3.280 2.690 2.516 2.799 . 0 0 "[ . 1 . 2]" 2
291 1 88 TYR H 1 88 TYR HB3 3.400 . 3.400 2.389 2.277 2.533 . 0 0 "[ . 1 . 2]" 2
292 1 88 TYR H 1 88 TYR HB2 3.400 . 3.400 2.640 2.456 2.744 . 0 0 "[ . 1 . 2]" 2
293 1 6 VAL H 1 26 GLY HA2 3.490 . 3.490 2.230 1.655 2.739 . 0 0 "[ . 1 . 2]" 2
294 1 6 VAL H 1 6 VAL HB 3.650 . 3.650 2.983 2.366 3.651 0.001 2 0 "[ . 1 . 2]" 2
295 1 6 VAL H 1 6 VAL QG 3.620 . 3.620 2.017 1.834 2.345 . 0 0 "[ . 1 . 2]" 2
296 1 117 PHE QD 1 118 GLN H 4.630 . 4.630 4.292 3.899 4.640 0.010 15 0 "[ . 1 . 2]" 2
297 1 117 PHE HA 1 118 GLN H 3.320 . 3.320 2.104 1.961 2.419 . 0 0 "[ . 1 . 2]" 2
298 1 117 PHE HB2 1 118 GLN H 4.540 . 4.540 4.208 3.275 4.367 . 0 0 "[ . 1 . 2]" 2
299 1 117 PHE HB3 1 118 GLN H 4.540 . 4.540 3.583 2.525 4.007 . 0 0 "[ . 1 . 2]" 2
300 1 118 GLN H 1 118 GLN HB3 4.150 . 4.150 2.976 2.440 3.666 . 0 0 "[ . 1 . 2]" 2
301 1 75 LEU HA 1 76 ALA H 3.180 . 3.180 2.559 2.380 2.713 . 0 0 "[ . 1 . 2]" 2
302 1 50 ALA H 1 50 ALA MB 3.100 . 3.100 2.423 2.355 2.521 . 0 0 "[ . 1 . 2]" 2
303 1 50 ALA H 1 52 LEU QD 4.250 . 4.250 4.292 4.252 4.324 0.074 20 0 "[ . 1 . 2]" 2
304 1 75 LEU HB2 1 76 ALA H 3.800 . 3.800 3.112 2.855 3.539 . 0 0 "[ . 1 . 2]" 2
305 1 76 ALA H 1 76 ALA MB 3.000 . 3.000 2.518 2.427 2.571 . 0 0 "[ . 1 . 2]" 2
306 1 75 LEU QD 1 76 ALA H 3.500 . 3.500 3.192 2.950 3.369 . 0 0 "[ . 1 . 2]" 2
307 1 19 TYR H 1 20 ASP H 3.520 . 3.520 2.443 2.218 2.640 . 0 0 "[ . 1 . 2]" 2
308 1 18 ALA H 1 20 ASP H 4.510 . 4.510 3.705 3.587 3.839 . 0 0 "[ . 1 . 2]" 2
309 1 19 TYR QD 1 20 ASP H 3.950 . 3.950 3.073 2.825 3.251 . 0 0 "[ . 1 . 2]" 2
310 1 19 TYR HB3 1 20 ASP H 3.850 . 3.850 3.097 2.952 3.206 . 0 0 "[ . 1 . 2]" 2
311 1 20 ASP H 1 20 ASP HB2 3.480 . 3.480 2.492 2.318 2.654 . 0 0 "[ . 1 . 2]" 2
312 1 20 ASP H 1 21 ALA MB 4.530 . 4.530 4.294 4.178 4.538 0.008 18 0 "[ . 1 . 2]" 2
313 1 104 LYS H 1 122 LYS H 4.520 . 4.520 3.857 3.490 4.476 . 0 0 "[ . 1 . 2]" 2
314 1 103 TRP HA 1 104 LYS H 3.550 . 3.550 2.303 2.208 2.467 . 0 0 "[ . 1 . 2]" 2
315 1 104 LYS H 1 123 TYR HA 4.140 . 4.140 2.392 2.085 2.930 . 0 0 "[ . 1 . 2]" 2
316 1 103 TRP HB2 1 104 LYS H 5.200 . 5.200 3.532 3.305 3.730 . 0 0 "[ . 1 . 2]" 2
317 1 103 TRP HB3 1 104 LYS H 3.980 . 3.980 2.450 2.182 2.710 . 0 0 "[ . 1 . 2]" 2
318 1 104 LYS H 1 120 VAL HB 4.380 . 4.380 3.267 2.902 3.538 . 0 0 "[ . 1 . 2]" 2
319 1 104 LYS H 1 104 LYS QG 4.250 . 4.250 3.978 2.485 4.219 . 0 0 "[ . 1 . 2]" 2
320 1 104 LYS H 1 120 VAL MG1 4.010 . 4.010 3.736 3.457 4.010 . 0 0 "[ . 1 . 2]" 2
321 1 104 LYS H 1 120 VAL MG2 4.160 . 4.160 3.384 2.945 3.824 . 0 0 "[ . 1 . 2]" 2
322 1 23 ALA H 1 23 ALA HA 2.890 . 2.890 2.269 2.232 2.301 . 0 0 "[ . 1 . 2]" 2
323 1 21 ALA MB 1 23 ALA H 3.850 . 3.850 3.822 3.619 3.872 0.022 14 0 "[ . 1 . 2]" 2
324 1 23 ALA H 1 52 LEU HB3 4.360 . 4.360 4.037 3.857 4.177 . 0 0 "[ . 1 . 2]" 2
325 1 54 TYR HA 1 55 VAL H 3.430 . 3.430 2.189 2.080 2.296 . 0 0 "[ . 1 . 2]" 2
326 1 54 TYR HB3 1 55 VAL H 3.470 . 3.470 2.940 2.615 3.200 . 0 0 "[ . 1 . 2]" 2
327 1 55 VAL H 1 55 VAL HB 3.410 . 3.410 3.145 2.947 3.340 . 0 0 "[ . 1 . 2]" 2
328 1 28 LEU MD1 1 55 VAL H 3.850 . 3.850 3.059 2.073 3.884 0.034 11 0 "[ . 1 . 2]" 2
329 1 7 CYS HA 1 29 ILE H 3.880 . 3.880 3.904 3.773 3.972 0.092 6 0 "[ . 1 . 2]" 2
330 1 53 GLN HA 1 54 TYR H 3.150 . 3.150 2.277 2.102 2.505 . 0 0 "[ . 1 . 2]" 2
331 1 54 TYR H 1 54 TYR HB3 3.960 . 3.960 3.701 3.613 3.784 . 0 0 "[ . 1 . 2]" 2
332 1 53 GLN QG 1 54 TYR H 3.870 . 3.870 3.064 2.376 3.887 0.017 2 0 "[ . 1 . 2]" 2
333 1 54 TYR H 1 76 ALA MB 4.030 . 4.030 3.526 2.938 4.074 0.044 6 0 "[ . 1 . 2]" 2
334 1 54 TYR H 1 75 LEU QD 3.920 . 3.920 3.932 3.660 3.980 0.060 13 0 "[ . 1 . 2]" 2
335 1 123 TYR H 1 123 TYR QD 3.470 . 3.470 2.804 2.260 3.326 . 0 0 "[ . 1 . 2]" 2
336 1 97 PRO HB3 1 98 ALA H 3.520 . 3.520 3.424 3.250 3.523 0.003 5 0 "[ . 1 . 2]" 2
337 1 98 ALA H 1 98 ALA MB 3.250 . 3.250 2.216 2.147 2.268 . 0 0 "[ . 1 . 2]" 2
338 1 106 LEU H 1 124 VAL QG 3.410 . 3.410 3.309 3.088 3.412 0.002 15 0 "[ . 1 . 2]" 2
339 1 107 SER HA 1 108 VAL H 3.120 . 3.120 2.221 2.089 2.595 . 0 0 "[ . 1 . 2]" 2
340 1 108 VAL H 1 108 VAL MG1 3.010 . 3.010 2.295 2.058 2.518 . 0 0 "[ . 1 . 2]" 2
341 1 112 LEU H 1 112 LEU QD 3.850 . 3.850 3.177 2.037 3.875 0.025 17 0 "[ . 1 . 2]" 2
342 1 111 THR MG 1 112 LEU H 4.530 . 4.530 3.610 2.521 4.273 . 0 0 "[ . 1 . 2]" 2
343 1 100 VAL H 1 101 ALA H 4.620 . 4.620 4.268 4.194 4.404 . 0 0 "[ . 1 . 2]" 2
344 1 99 HIS HD2 1 100 VAL H 5.390 . 5.390 4.705 3.217 5.434 0.044 4 0 "[ . 1 . 2]" 2
345 1 99 HIS HB3 1 100 VAL H 5.060 . 5.060 4.256 3.960 4.765 . 0 0 "[ . 1 . 2]" 2
346 1 97 PRO HB3 1 100 VAL H 5.390 . 5.390 5.166 4.893 5.388 . 0 0 "[ . 1 . 2]" 2
347 1 100 VAL H 1 100 VAL HB 3.220 . 3.220 2.374 2.284 3.079 . 0 0 "[ . 1 . 2]" 2
348 1 97 PRO HB2 1 100 VAL H 4.010 . 4.010 3.781 3.450 4.012 0.002 1 0 "[ . 1 . 2]" 2
349 1 100 VAL H 1 100 VAL MG2 3.470 . 3.470 2.484 2.176 3.513 0.043 1 0 "[ . 1 . 2]" 2
350 1 57 VAL HA 1 58 PHE H 3.130 . 3.130 2.234 2.153 2.305 . 0 0 "[ . 1 . 2]" 2
351 1 58 PHE H 1 79 GLN HB2 5.010 . 5.010 3.544 2.655 3.845 . 0 0 "[ . 1 . 2]" 2
352 1 58 PHE H 1 79 GLN HB3 4.220 . 4.220 4.204 4.024 4.270 0.050 15 0 "[ . 1 . 2]" 2
353 1 92 LEU H 1 93 ARG H 3.920 . 3.920 2.949 2.690 3.131 . 0 0 "[ . 1 . 2]" 2
354 1 92 LEU H 1 94 GLU H 4.350 . 4.350 4.258 4.143 4.366 0.016 14 0 "[ . 1 . 2]" 2
355 1 92 LEU H 1 92 LEU HB2 3.260 . 3.260 2.413 2.270 2.545 . 0 0 "[ . 1 . 2]" 2
356 1 91 THR MG 1 92 LEU H 3.120 . 3.120 3.210 3.193 3.245 0.125 10 0 "[ . 1 . 2]" 2
357 1 92 LEU H 1 92 LEU MD1 3.340 . 3.340 3.387 3.354 3.413 0.073 6 0 "[ . 1 . 2]" 2
358 1 92 LEU H 1 92 LEU MD2 3.560 . 3.560 2.018 1.945 2.096 . 0 0 "[ . 1 . 2]" 2
359 1 63 ILE QG 1 92 LEU H 4.800 . 4.800 4.735 4.612 4.801 0.001 2 0 "[ . 1 . 2]" 2
360 1 100 VAL H 1 100 VAL MG1 3.470 . 3.470 3.504 1.904 3.611 0.141 4 0 "[ . 1 . 2]" 2
361 1 114 ALA H 1 115 ARG H 4.360 . 4.360 2.500 2.236 2.830 . 0 0 "[ . 1 . 2]" 2
362 1 28 LEU H 1 28 LEU HB2 3.940 . 3.940 3.761 3.585 3.829 . 0 0 "[ . 1 . 2]" 2
363 1 124 VAL HA 1 125 LEU H 3.310 . 3.310 2.513 2.373 2.678 . 0 0 "[ . 1 . 2]" 2
364 1 125 LEU H 1 125 LEU QD 3.830 . 3.830 2.748 1.693 3.749 . 0 0 "[ . 1 . 2]" 2
365 1 15 ALA H 1 15 ALA MB 3.000 . 3.000 2.195 2.146 2.235 . 0 0 "[ . 1 . 2]" 2
366 1 9 LEU HG 1 15 ALA H 5.500 . 5.500 4.086 3.157 5.417 . 0 0 "[ . 1 . 2]" 2
367 1 78 VAL HA 1 79 GLN H 3.470 . 3.470 2.285 2.206 2.364 . 0 0 "[ . 1 . 2]" 2
368 1 57 VAL HA 1 79 GLN H 4.190 . 4.190 2.398 2.229 2.720 . 0 0 "[ . 1 . 2]" 2
369 1 79 GLN H 1 79 GLN HB2 3.440 . 3.440 2.188 2.121 2.347 . 0 0 "[ . 1 . 2]" 2
370 1 103 TRP HE1 1 121 ASP HB2 4.560 . 4.560 3.979 2.544 4.566 0.006 20 0 "[ . 1 . 2]" 2
371 1 103 TRP HE1 1 121 ASP HB3 4.560 . 4.560 2.947 2.519 3.810 . 0 0 "[ . 1 . 2]" 2
372 1 101 ALA MB 1 103 TRP HE1 3.030 . 3.030 2.682 2.458 2.976 . 0 0 "[ . 1 . 2]" 2
373 1 103 TRP HE1 1 122 LYS HB3 4.640 . 4.640 3.924 2.922 4.672 0.032 1 0 "[ . 1 . 2]" 2
374 1 77 ALA MB 1 103 TRP HE1 4.010 . 4.010 2.832 2.712 2.935 . 0 0 "[ . 1 . 2]" 2
375 1 80 LEU H 1 103 TRP HB2 4.910 . 4.910 4.803 4.325 4.958 0.048 8 0 "[ . 1 . 2]" 2
376 1 79 GLN HB3 1 80 LEU H 3.690 . 3.690 3.419 3.119 3.703 0.013 18 0 "[ . 1 . 2]" 2
377 1 80 LEU H 1 102 ILE MG 5.220 . 5.220 2.878 2.476 3.082 . 0 0 "[ . 1 . 2]" 2
378 1 62 ASP H 1 65 ASP H 4.930 . 4.930 4.699 4.363 4.959 0.029 11 0 "[ . 1 . 2]" 2
379 1 61 HIS HA 1 62 ASP H 3.560 . 3.560 3.518 3.439 3.565 0.005 5 0 "[ . 1 . 2]" 2
380 1 121 ASP H 1 122 LYS H 3.700 . 3.700 2.411 2.293 2.533 . 0 0 "[ . 1 . 2]" 2
381 1 120 VAL HA 1 121 ASP H 2.970 . 2.970 2.249 2.109 2.406 . 0 0 "[ . 1 . 2]" 2
382 1 121 ASP H 1 121 ASP HB2 3.750 . 3.750 2.710 2.442 2.926 . 0 0 "[ . 1 . 2]" 2
383 1 121 ASP H 1 121 ASP HB3 3.750 . 3.750 2.716 2.348 3.702 . 0 0 "[ . 1 . 2]" 2
384 1 102 ILE HB 1 121 ASP H 4.730 . 4.730 3.249 2.853 3.674 . 0 0 "[ . 1 . 2]" 2
385 1 102 ILE MG 1 121 ASP H 3.430 . 3.430 3.498 3.465 3.537 0.107 11 0 "[ . 1 . 2]" 2
386 1 120 VAL MG2 1 121 ASP H 3.720 . 3.720 3.516 3.346 3.645 . 0 0 "[ . 1 . 2]" 2
387 1 30 PHE H 1 57 VAL H 4.060 . 4.060 3.586 2.836 3.960 . 0 0 "[ . 1 . 2]" 2
388 1 30 PHE QD 1 57 VAL H 3.690 . 3.690 3.551 3.153 3.715 0.025 20 0 "[ . 1 . 2]" 2
389 1 29 ILE HA 1 57 VAL H 3.890 . 3.890 2.912 2.375 3.208 . 0 0 "[ . 1 . 2]" 2
390 1 57 VAL H 1 57 VAL HB 3.680 . 3.680 2.759 2.640 3.183 . 0 0 "[ . 1 . 2]" 2
391 1 29 ILE HB 1 57 VAL H 4.570 . 4.570 4.352 4.092 4.667 0.097 1 0 "[ . 1 . 2]" 2
392 1 55 VAL MG1 1 57 VAL H 5.500 . 5.500 4.498 4.025 5.022 . 0 0 "[ . 1 . 2]" 2
393 1 55 VAL MG2 1 57 VAL H 5.500 . 5.500 4.562 4.128 4.918 . 0 0 "[ . 1 . 2]" 2
394 1 80 LEU H 1 105 ALA H 4.240 . 4.240 3.867 3.119 4.264 0.024 15 0 "[ . 1 . 2]" 2
395 1 104 LYS HA 1 105 ALA H 2.820 . 2.820 2.074 1.977 2.200 . 0 0 "[ . 1 . 2]" 2
396 1 79 GLN HB3 1 105 ALA H 3.750 . 3.750 3.314 2.915 3.764 0.014 11 0 "[ . 1 . 2]" 2
397 1 100 VAL HA 1 101 ALA H 2.780 . 2.780 2.132 1.988 2.242 . 0 0 "[ . 1 . 2]" 2
398 1 101 ALA H 1 101 ALA MB 2.940 . 2.940 2.369 2.305 2.439 . 0 0 "[ . 1 . 2]" 2
399 1 100 VAL HB 1 101 ALA H 4.050 . 4.050 4.038 3.810 4.101 0.051 9 0 "[ . 1 . 2]" 2
400 1 100 VAL MG1 1 101 ALA H 3.990 . 3.990 2.568 2.247 4.007 0.017 1 0 "[ . 1 . 2]" 2
401 1 100 VAL MG2 1 101 ALA H 3.990 . 3.990 3.890 2.473 4.014 0.024 7 0 "[ . 1 . 2]" 2
402 1 77 ALA MB 1 101 ALA H 3.410 . 3.410 3.354 3.121 3.444 0.034 5 0 "[ . 1 . 2]" 2
403 1 63 ILE H 1 65 ASP H 4.820 . 4.820 3.993 3.914 4.071 . 0 0 "[ . 1 . 2]" 2
404 1 63 ILE H 1 88 TYR QE 4.500 . 4.500 3.286 3.057 3.687 . 0 0 "[ . 1 . 2]" 2
405 1 62 ASP HA 1 63 ILE H 2.870 . 2.870 2.070 1.986 2.194 . 0 0 "[ . 1 . 2]" 2
406 1 63 ILE H 1 63 ILE HB 2.800 . 2.800 2.663 2.582 2.763 . 0 0 "[ . 1 . 2]" 2
407 1 63 ILE H 1 63 ILE QG 4.060 . 4.060 3.961 3.931 4.012 . 0 0 "[ . 1 . 2]" 2
408 1 31 VAL HA 1 32 ALA H 3.490 . 3.490 2.062 1.989 2.348 . 0 0 "[ . 1 . 2]" 2
409 1 38 VAL MG1 1 39 ASN H 3.670 . 3.670 2.629 2.569 2.765 . 0 0 "[ . 1 . 2]" 2
410 1 49 ALA H 1 49 ALA HA 2.930 . 2.930 2.896 2.836 2.932 0.002 1 0 "[ . 1 . 2]" 2
411 1 22 GLY H 1 23 ALA H 2.930 . 2.930 1.741 1.623 1.832 . 0 0 "[ . 1 . 2]" 2
412 1 26 GLY H 1 55 VAL HB 5.500 . 5.500 4.701 4.189 5.010 . 0 0 "[ . 1 . 2]" 2
413 1 97 PRO HA 1 99 HIS H 4.670 . 4.670 4.053 3.808 4.398 . 0 0 "[ . 1 . 2]" 2
414 1 14 ASP H 1 15 ALA H 3.080 . 3.080 2.174 2.078 2.319 . 0 0 "[ . 1 . 2]" 2
415 1 13 GLN H 1 14 ASP H 5.500 . 5.500 2.488 2.196 2.904 . 0 0 "[ . 1 . 2]" 2
416 1 4 ASN QB 1 21 ALA H 4.440 . 4.440 4.124 3.887 4.472 0.032 12 0 "[ . 1 . 2]" 2
417 1 16 LYS H 1 19 TYR HB3 5.500 . 5.500 5.029 4.706 5.287 . 0 0 "[ . 1 . 2]" 2
418 1 17 ALA H 1 50 ALA MB 4.860 . 4.860 4.570 4.357 4.776 . 0 0 "[ . 1 . 2]" 2
419 1 20 ASP H 1 50 ALA MB 4.510 . 4.510 4.535 4.511 4.550 0.040 15 0 "[ . 1 . 2]" 2
420 1 16 LYS HB3 1 20 ASP H 5.500 . 5.500 5.209 4.110 5.545 0.045 6 0 "[ . 1 . 2]" 2
421 1 4 ASN QB 1 20 ASP H 5.500 . 5.500 5.497 5.199 5.542 0.042 6 0 "[ . 1 . 2]" 2
422 1 43 ALA MB 1 45 GLU H 4.730 . 4.730 4.474 4.362 4.658 . 0 0 "[ . 1 . 2]" 2
423 1 45 GLU H 1 46 VAL HA 5.350 . 5.350 4.965 4.838 5.147 . 0 0 "[ . 1 . 2]" 2
424 1 28 LEU H 1 28 LEU MD1 3.490 . 3.490 1.909 1.639 3.505 0.015 11 0 "[ . 1 . 2]" 2
425 1 5 LYS QG 1 6 VAL H 4.610 . 4.610 4.238 3.149 4.495 . 0 0 "[ . 1 . 2]" 2
426 1 19 TYR HB2 1 23 ALA H 4.330 . 4.330 4.326 4.143 4.375 0.045 6 0 "[ . 1 . 2]" 2
427 1 27 GLY HA2 1 28 LEU H 3.460 . 3.460 2.273 2.128 2.378 . 0 0 "[ . 1 . 2]" 2
428 1 31 VAL H 1 32 ALA H 5.260 . 5.260 4.285 4.123 4.592 . 0 0 "[ . 1 . 2]" 2
429 1 31 VAL HB 1 32 ALA H 5.500 . 5.500 4.151 4.038 4.199 . 0 0 "[ . 1 . 2]" 2
430 1 40 VAL H 1 40 VAL MG2 4.110 . 4.110 3.290 1.832 3.804 . 0 0 "[ . 1 . 2]" 2
431 1 40 VAL H 1 73 LEU QD 4.440 . 4.440 4.030 3.062 4.489 0.049 7 0 "[ . 1 . 2]" 2
432 1 39 ASN HA 1 41 GLU H 4.280 . 4.280 4.333 4.321 4.353 0.073 10 0 "[ . 1 . 2]" 2
433 1 40 VAL HA 1 42 GLN H 4.900 . 4.900 4.747 4.364 4.933 0.033 8 0 "[ . 1 . 2]" 2
434 1 39 ASN HD22 1 42 GLN H 4.720 . 4.720 3.291 2.428 3.649 . 0 0 "[ . 1 . 2]" 2
435 1 39 ASN HD21 1 42 GLN H 4.840 . 4.840 3.318 2.570 3.741 . 0 0 "[ . 1 . 2]" 2
436 1 38 VAL MG2 1 43 ALA H 3.950 . 3.950 3.960 3.859 3.988 0.038 9 0 "[ . 1 . 2]" 2
437 1 43 ALA H 1 46 VAL H 5.500 . 5.500 4.729 4.557 4.891 . 0 0 "[ . 1 . 2]" 2
438 1 47 MET QB 1 48 ALA H 3.860 . 3.860 3.707 3.563 3.837 . 0 0 "[ . 1 . 2]" 2
439 1 46 VAL HA 1 48 ALA H 4.640 . 4.640 3.801 3.537 3.991 . 0 0 "[ . 1 . 2]" 2
440 1 52 LEU H 1 53 GLN H 4.510 . 4.510 4.514 4.455 4.542 0.032 4 0 "[ . 1 . 2]" 2
441 1 51 PRO HA 1 52 LEU H 3.160 . 3.160 2.551 2.342 2.741 . 0 0 "[ . 1 . 2]" 2
442 1 52 LEU H 1 52 LEU HG 3.340 . 3.340 1.800 1.679 1.897 . 0 0 "[ . 1 . 2]" 2
443 1 50 ALA MB 1 52 LEU H 4.100 . 4.100 3.262 3.033 3.521 . 0 0 "[ . 1 . 2]" 2
444 1 52 LEU H 1 52 LEU QD 3.700 . 3.700 2.590 2.425 2.793 . 0 0 "[ . 1 . 2]" 2
445 1 52 LEU H 1 52 LEU HB3 3.530 . 3.530 3.280 3.127 3.463 . 0 0 "[ . 1 . 2]" 2
446 1 25 TYR HA 1 53 GLN H 3.690 . 3.690 2.383 2.044 2.537 . 0 0 "[ . 1 . 2]" 2
447 1 52 LEU HA 1 53 GLN H 3.110 . 3.110 2.481 2.192 2.627 . 0 0 "[ . 1 . 2]" 2
448 1 54 TYR H 1 75 LEU HA 4.620 . 4.620 3.575 3.164 3.874 . 0 0 "[ . 1 . 2]" 2
449 1 25 TYR QD 1 55 VAL H 4.950 . 4.950 4.098 3.813 4.391 . 0 0 "[ . 1 . 2]" 2
450 1 54 TYR QD 1 55 VAL H 5.230 . 5.230 3.920 3.447 4.763 . 0 0 "[ . 1 . 2]" 2
451 1 59 ARG HA 1 60 ASN H 3.110 . 3.110 2.163 2.004 2.310 . 0 0 "[ . 1 . 2]" 2
452 1 63 ILE H 1 92 LEU MD2 5.300 . 5.300 5.252 4.981 5.333 0.033 9 0 "[ . 1 . 2]" 2
453 1 63 ILE H 1 64 ALA HA 5.500 . 5.500 5.219 5.138 5.287 . 0 0 "[ . 1 . 2]" 2
454 1 63 ILE H 1 66 VAL H 5.370 . 5.370 4.954 4.837 5.054 . 0 0 "[ . 1 . 2]" 2
455 1 65 ASP HA 1 67 VAL H 5.110 . 5.110 4.393 4.226 4.570 . 0 0 "[ . 1 . 2]" 2
456 1 68 ASP H 1 69 LYS HB2 5.250 . 5.250 5.216 4.821 5.263 0.013 12 0 "[ . 1 . 2]" 2
457 1 69 LYS H 1 72 VAL H 5.430 . 5.430 4.743 4.623 4.902 . 0 0 "[ . 1 . 2]" 2
458 1 71 LYS H 1 74 SER H 4.590 . 4.590 4.358 4.143 4.596 0.006 10 0 "[ . 1 . 2]" 2
459 1 73 LEU H 1 75 LEU H 5.000 . 5.000 4.674 4.173 4.974 . 0 0 "[ . 1 . 2]" 2
460 1 85 GLU H 1 85 GLU HB2 3.920 . 3.920 3.295 3.116 3.566 . 0 0 "[ . 1 . 2]" 2
461 1 87 LEU H 1 88 TYR HB2 5.420 . 5.420 4.663 4.270 4.881 . 0 0 "[ . 1 . 2]" 2
462 1 87 LEU H 1 88 TYR HB3 5.420 . 5.420 4.405 3.944 4.747 . 0 0 "[ . 1 . 2]" 2
463 1 85 GLU HA 1 87 LEU H 5.500 . 5.500 4.305 3.943 4.587 . 0 0 "[ . 1 . 2]" 2
464 1 89 ILE MD 1 90 ASP H 5.100 . 5.100 3.871 3.576 4.095 . 0 0 "[ . 1 . 2]" 2
465 1 92 LEU HB2 1 93 ARG H 3.380 . 3.380 2.641 2.452 2.788 . 0 0 "[ . 1 . 2]" 2
466 1 92 LEU HG 1 93 ARG H 5.180 . 5.180 5.017 4.823 5.166 . 0 0 "[ . 1 . 2]" 2
467 1 89 ILE MG 1 93 ARG H 4.420 . 4.420 4.395 4.181 4.480 0.060 11 0 "[ . 1 . 2]" 2
468 1 104 LYS H 1 105 ALA H 4.180 . 4.180 4.197 4.130 4.223 0.043 13 0 "[ . 1 . 2]" 2
469 1 111 THR H 1 112 LEU H 4.910 . 4.910 3.498 1.986 4.495 . 0 0 "[ . 1 . 2]" 2
470 1 120 VAL H 1 121 ASP H 4.690 . 4.690 4.508 4.409 4.631 . 0 0 "[ . 1 . 2]" 2
471 1 105 ALA MB 1 124 VAL H 5.500 . 5.500 4.791 4.472 5.263 . 0 0 "[ . 1 . 2]" 2
472 1 106 LEU H 1 126 ASP H 4.590 . 4.590 3.800 3.214 4.551 . 0 0 "[ . 1 . 2]" 2
473 1 12 GLY HA3 1 13 GLN HE21 3.280 . 3.280 3.164 2.661 3.384 0.104 4 0 "[ . 1 . 2]" 2
474 1 103 TRP H 1 103 TRP HD1 5.100 . 5.100 3.665 3.479 3.736 . 0 0 "[ . 1 . 2]" 2
475 1 10 THR H 1 11 ARG HA 4.430 . 4.430 4.390 4.183 4.471 0.041 4 0 "[ . 1 . 2]" 2
476 1 41 GLU HA 1 44 GLN HE21 5.500 . 5.500 3.852 3.080 4.710 . 0 0 "[ . 1 . 2]" 2
477 1 38 VAL HA 1 42 GLN HE21 5.500 . 5.500 3.765 2.889 5.240 . 0 0 "[ . 1 . 2]" 2
478 1 41 GLU HA 1 44 GLN HE22 5.500 . 5.500 4.398 3.056 5.177 . 0 0 "[ . 1 . 2]" 2
479 1 39 ASN HD21 1 41 GLU HA 5.500 . 5.500 4.399 4.094 5.637 0.137 8 0 "[ . 1 . 2]" 2
480 1 103 TRP HA 1 103 TRP HE1 5.090 . 5.090 4.946 4.859 5.105 0.015 4 0 "[ . 1 . 2]" 2
481 1 101 ALA H 1 103 TRP HE1 5.500 . 5.500 5.406 5.177 5.547 0.047 17 0 "[ . 1 . 2]" 2
482 1 102 ILE H 1 103 TRP HD1 4.960 . 4.960 3.503 3.328 3.698 . 0 0 "[ . 1 . 2]" 2
483 1 102 ILE HA 1 103 TRP H 3.510 . 3.510 2.165 2.096 2.228 . 0 0 "[ . 1 . 2]" 2
484 1 85 GLU HA 1 88 TYR H 5.500 . 5.500 4.582 4.303 4.795 . 0 0 "[ . 1 . 2]" 2
485 1 91 THR H 1 93 ARG H 3.950 . 3.950 3.984 3.896 4.042 0.092 17 0 "[ . 1 . 2]" 2
486 1 90 ASP H 1 92 LEU H 4.760 . 4.760 4.272 4.107 4.401 . 0 0 "[ . 1 . 2]" 2
487 1 92 LEU H 1 95 ALA H 5.500 . 5.500 5.138 5.038 5.320 . 0 0 "[ . 1 . 2]" 2
488 1 89 ILE HA 1 91 THR H 4.060 . 4.060 3.688 3.508 3.815 . 0 0 "[ . 1 . 2]" 2
489 1 88 TYR HA 1 90 ASP H 4.240 . 4.240 4.169 3.985 4.261 0.021 10 0 "[ . 1 . 2]" 2
490 1 87 LEU H 1 89 ILE HB 5.500 . 5.500 5.547 5.511 5.593 0.093 4 0 "[ . 1 . 2]" 2
491 1 90 ASP HB3 1 92 LEU H 5.500 . 5.500 5.308 5.175 5.475 . 0 0 "[ . 1 . 2]" 2
492 1 88 TYR QE 1 92 LEU H 4.940 . 4.940 4.954 4.908 5.001 0.061 2 0 "[ . 1 . 2]" 2
493 1 68 ASP H 1 70 ALA H 4.550 . 4.550 4.171 3.992 4.305 . 0 0 "[ . 1 . 2]" 2
494 1 63 ILE H 1 63 ILE MG 3.240 . 3.240 1.936 1.859 2.029 . 0 0 "[ . 1 . 2]" 2
495 1 76 ALA H 1 77 ALA H 2.490 . 2.490 1.890 1.781 2.323 . 0 0 "[ . 1 . 2]" 2
496 1 55 VAL HA 1 77 ALA H 3.440 . 3.440 2.815 2.605 3.037 . 0 0 "[ . 1 . 2]" 2
497 1 75 LEU QD 1 77 ALA H 4.200 . 4.200 3.903 3.596 4.203 0.003 17 0 "[ . 1 . 2]" 2
498 1 77 ALA H 1 77 ALA MB 3.130 . 3.130 2.559 2.320 2.616 . 0 0 "[ . 1 . 2]" 2
499 1 42 GLN H 1 42 GLN HE22 4.230 . 4.230 4.229 3.304 4.365 0.135 20 0 "[ . 1 . 2]" 2
500 1 19 TYR QD 1 21 ALA H 5.500 . 5.500 5.191 5.043 5.330 . 0 0 "[ . 1 . 2]" 2
501 1 14 ASP H 1 17 ALA H 5.270 . 5.270 4.955 4.609 5.292 0.022 8 0 "[ . 1 . 2]" 2
502 1 53 GLN H 1 54 TYR H 4.660 . 4.660 4.558 4.423 4.670 0.010 18 0 "[ . 1 . 2]" 2
503 1 25 TYR QD 1 26 GLY H 3.760 . 3.760 2.598 2.188 2.921 . 0 0 "[ . 1 . 2]" 2
504 1 25 TYR HB2 1 26 GLY H 4.180 . 4.180 2.916 2.197 3.418 . 0 0 "[ . 1 . 2]" 2
505 1 26 GLY H 1 52 LEU QD 4.350 . 4.350 3.191 2.487 3.831 . 0 0 "[ . 1 . 2]" 2
506 1 78 VAL H 1 102 ILE HA 3.880 . 3.880 2.485 2.362 2.795 . 0 0 "[ . 1 . 2]" 2
507 1 28 LEU H 1 56 GLY HA2 5.430 . 5.430 4.829 3.810 5.254 . 0 0 "[ . 1 . 2]" 2
508 1 28 LEU H 1 28 LEU HB3 3.940 . 3.940 3.275 3.027 3.442 . 0 0 "[ . 1 . 2]" 2
509 1 54 TYR HB2 1 55 VAL H 4.350 . 4.350 3.972 3.517 4.241 . 0 0 "[ . 1 . 2]" 2
510 1 101 ALA MB 1 122 LYS H 5.110 . 5.110 4.608 4.312 4.938 . 0 0 "[ . 1 . 2]" 2
511 1 67 VAL H 1 67 VAL HB 2.900 . 2.900 2.586 2.451 2.659 . 0 0 "[ . 1 . 2]" 2
512 1 50 ALA H 1 52 LEU HG 5.500 . 5.500 4.459 4.398 4.510 . 0 0 "[ . 1 . 2]" 2
513 1 21 ALA HA 1 23 ALA H 5.390 . 5.390 5.159 5.014 5.281 . 0 0 "[ . 1 . 2]" 2
514 1 8 GLY H 1 29 ILE H 5.460 . 5.460 3.994 3.568 4.504 . 0 0 "[ . 1 . 2]" 2
515 1 101 ALA H 1 102 ILE H 4.770 . 4.770 4.416 4.340 4.486 . 0 0 "[ . 1 . 2]" 2
516 1 102 ILE H 1 121 ASP H 3.960 . 3.960 3.141 2.841 3.435 . 0 0 "[ . 1 . 2]" 2
517 1 77 ALA H 1 78 VAL H 5.500 . 5.500 4.290 4.218 4.377 . 0 0 "[ . 1 . 2]" 2
518 1 103 TRP HE1 1 122 LYS HB2 4.640 . 4.640 3.142 2.560 3.466 . 0 0 "[ . 1 . 2]" 2
519 1 107 SER H 1 126 ASP HA 5.500 . 5.500 5.216 4.207 5.535 0.035 4 0 "[ . 1 . 2]" 2
520 1 77 ALA HA 1 101 ALA H 3.400 . 3.400 2.077 1.929 2.222 . 0 0 "[ . 1 . 2]" 2
521 1 78 VAL H 1 101 ALA H 3.930 . 3.930 3.932 3.798 3.964 0.034 18 0 "[ . 1 . 2]" 2
522 1 76 ALA H 1 101 ALA H 4.800 . 4.800 4.843 4.820 4.873 0.073 17 0 "[ . 1 . 2]" 2
523 1 60 ASN H 1 61 HIS H 3.930 . 3.930 4.044 4.017 4.086 0.156 15 0 "[ . 1 . 2]" 2
524 1 118 GLN H 1 120 VAL MG1 5.500 . 5.500 4.294 3.999 4.690 . 0 0 "[ . 1 . 2]" 2
525 1 4 ASN H 1 25 TYR H 5.500 . 5.500 4.757 3.787 5.408 . 0 0 "[ . 1 . 2]" 2
526 1 24 ILE HA 1 25 TYR H 3.460 . 3.460 3.509 3.482 3.530 0.070 14 0 "[ . 1 . 2]" 2
527 1 25 TYR H 1 26 GLY HA3 5.500 . 5.500 5.242 5.107 5.428 . 0 0 "[ . 1 . 2]" 2
528 1 24 ILE HG12 1 25 TYR H 4.770 . 4.770 4.646 4.507 4.739 . 0 0 "[ . 1 . 2]" 2
529 1 10 THR H 1 11 ARG QG 4.860 . 4.860 3.085 2.408 3.702 . 0 0 "[ . 1 . 2]" 2
530 1 13 GLN H 1 15 ALA H 5.500 . 5.500 3.944 3.633 4.433 . 0 0 "[ . 1 . 2]" 2
531 1 13 GLN H 1 16 LYS H 5.500 . 5.500 4.684 4.448 4.896 . 0 0 "[ . 1 . 2]" 2
532 1 14 ASP HA 1 17 ALA H 3.990 . 3.990 3.725 3.340 3.998 0.008 18 0 "[ . 1 . 2]" 2
533 1 17 ALA H 1 19 TYR HB3 5.500 . 5.500 5.063 4.840 5.265 . 0 0 "[ . 1 . 2]" 2
534 1 18 ALA H 1 21 ALA H 5.500 . 5.500 4.709 4.393 5.207 . 0 0 "[ . 1 . 2]" 2
535 1 15 ALA MB 1 19 TYR H 5.260 . 5.260 4.972 4.509 5.273 0.013 12 0 "[ . 1 . 2]" 2
536 1 15 ALA MB 1 18 ALA H 5.420 . 5.420 4.586 4.446 4.730 . 0 0 "[ . 1 . 2]" 2
537 1 19 TYR QE 1 20 ASP H 5.040 . 5.040 4.809 4.548 5.020 . 0 0 "[ . 1 . 2]" 2
538 1 19 TYR HB2 1 22 GLY H 5.500 . 5.500 5.403 5.306 5.496 . 0 0 "[ . 1 . 2]" 2
539 1 29 ILE HB 1 30 PHE H 4.720 . 4.720 2.570 2.230 3.658 . 0 0 "[ . 1 . 2]" 2
540 1 29 ILE HB 1 31 VAL H 4.690 . 4.690 4.134 3.421 4.648 . 0 0 "[ . 1 . 2]" 2
541 1 32 ALA H 1 33 THR MG 5.500 . 5.500 5.516 5.506 5.530 0.030 18 0 "[ . 1 . 2]" 2
542 1 31 VAL H 1 37 CYS H 5.220 . 5.220 5.238 5.052 5.303 0.083 5 0 "[ . 1 . 2]" 2
543 1 37 CYS HB2 1 38 VAL H 4.660 . 4.660 3.881 3.354 4.299 . 0 0 "[ . 1 . 2]" 2
544 1 37 CYS HB3 1 38 VAL H 4.660 . 4.660 2.978 2.347 3.488 . 0 0 "[ . 1 . 2]" 2
545 1 31 VAL H 1 38 VAL H 4.200 . 4.200 3.861 3.042 4.228 0.028 2 0 "[ . 1 . 2]" 2
546 1 38 VAL MG1 1 40 VAL H 5.500 . 5.500 4.698 4.554 4.849 . 0 0 "[ . 1 . 2]" 2
547 1 40 VAL H 1 69 LYS HG3 5.500 . 5.500 5.316 4.942 5.530 0.030 5 0 "[ . 1 . 2]" 2
548 1 38 VAL MG1 1 44 GLN H 5.500 . 5.500 4.498 4.325 4.890 . 0 0 "[ . 1 . 2]" 2
549 1 94 GLU H 1 94 GLU QB 2.760 . 2.760 2.536 2.425 2.654 . 0 0 "[ . 1 . 2]" 2
550 1 50 ALA H 1 51 PRO HB3 5.500 . 5.500 5.504 5.425 5.532 0.032 10 0 "[ . 1 . 2]" 2
551 1 50 ALA HA 1 52 LEU H 5.500 . 5.500 4.218 3.995 4.509 . 0 0 "[ . 1 . 2]" 2
552 1 52 LEU H 1 53 GLN HA 5.500 . 5.500 5.299 5.080 5.502 0.002 4 0 "[ . 1 . 2]" 2
553 1 54 TYR H 1 54 TYR QD 3.970 . 3.970 2.846 2.551 3.301 . 0 0 "[ . 1 . 2]" 2
554 1 30 PHE QD 1 58 PHE H 5.300 . 5.300 4.913 4.398 5.322 0.022 7 0 "[ . 1 . 2]" 2
555 1 63 ILE QG 1 65 ASP H 5.250 . 5.250 4.751 4.632 4.860 . 0 0 "[ . 1 . 2]" 2
556 1 19 TYR HB3 1 23 ALA H 5.500 . 5.500 5.093 4.895 5.187 . 0 0 "[ . 1 . 2]" 2
557 1 38 VAL H 1 38 VAL HB 2.780 . 2.780 2.534 2.306 2.789 0.009 10 0 "[ . 1 . 2]" 2
558 1 40 VAL H 1 42 GLN H 5.500 . 5.500 4.758 4.474 4.936 . 0 0 "[ . 1 . 2]" 2
559 1 47 MET H 1 50 ALA H 5.500 . 5.500 4.837 4.698 5.055 . 0 0 "[ . 1 . 2]" 2
560 1 67 VAL H 1 68 ASP HA 5.350 . 5.350 5.233 5.119 5.295 . 0 0 "[ . 1 . 2]" 2
561 1 65 ASP HA 1 68 ASP H 3.820 . 3.820 3.370 2.944 3.639 . 0 0 "[ . 1 . 2]" 2
562 1 70 ALA H 1 75 LEU H 5.500 . 5.500 5.254 4.881 5.498 . 0 0 "[ . 1 . 2]" 2
563 1 69 LYS QD 1 70 ALA H 4.890 . 4.890 4.668 4.466 4.733 . 0 0 "[ . 1 . 2]" 2
564 1 70 ALA HA 1 76 ALA H 5.500 . 5.500 5.520 5.491 5.552 0.052 13 0 "[ . 1 . 2]" 2
565 1 96 LEU HA 1 100 VAL H 5.500 . 5.500 5.541 5.508 5.574 0.074 20 0 "[ . 1 . 2]" 2
566 1 97 PRO HA 1 100 VAL H 5.500 . 5.500 4.864 4.758 5.035 . 0 0 "[ . 1 . 2]" 2
567 1 110 GLU QB 1 111 THR H 5.470 . 5.470 2.955 1.866 3.675 . 0 0 "[ . 1 . 2]" 2
568 1 97 PRO HG3 1 99 HIS H 5.500 . 5.500 4.570 4.307 5.055 . 0 0 "[ . 1 . 2]" 2
569 1 45 GLU HA 1 47 MET H 4.810 . 4.810 4.298 4.062 4.506 . 0 0 "[ . 1 . 2]" 2
570 1 40 VAL H 1 41 GLU HA 5.500 . 5.500 5.385 5.231 5.503 0.003 18 0 "[ . 1 . 2]" 2
571 1 7 CYS HA 1 27 GLY H 5.500 . 5.500 4.752 4.179 5.512 0.012 8 0 "[ . 1 . 2]" 2
572 1 105 ALA HA 1 124 VAL H 4.320 . 4.320 3.292 2.884 3.829 . 0 0 "[ . 1 . 2]" 2
573 1 99 HIS H 1 100 VAL HB 5.500 . 5.500 4.603 4.322 5.082 . 0 0 "[ . 1 . 2]" 2
574 1 99 HIS H 1 99 HIS HD2 4.450 . 4.450 3.574 3.278 3.888 . 0 0 "[ . 1 . 2]" 2
575 1 56 GLY H 1 76 ALA H 4.770 . 4.770 4.794 4.654 4.833 0.063 9 0 "[ . 1 . 2]" 2
576 1 102 ILE H 1 122 LYS H 5.500 . 5.500 4.714 4.440 5.118 . 0 0 "[ . 1 . 2]" 2
577 1 105 ALA HA 1 106 LEU H 3.300 . 3.300 2.129 2.032 2.187 . 0 0 "[ . 1 . 2]" 2
578 1 105 ALA HA 1 125 LEU H 5.500 . 5.500 4.959 4.354 5.355 . 0 0 "[ . 1 . 2]" 2
579 1 98 ALA H 1 99 HIS HE1 5.500 . 5.500 5.216 4.375 5.526 0.026 17 0 "[ . 1 . 2]" 2
580 1 34 SER HA 1 36 ARG H 4.750 . 4.750 3.742 3.519 4.007 . 0 0 "[ . 1 . 2]" 2
581 1 34 SER HA 1 37 CYS H 4.750 . 4.750 4.701 4.459 4.867 0.117 5 0 "[ . 1 . 2]" 2
582 1 39 ASN HD22 1 40 VAL H 5.170 . 5.170 4.924 4.642 5.165 . 0 0 "[ . 1 . 2]" 2
583 1 56 GLY HA2 1 79 GLN H 5.180 . 5.180 4.892 4.774 5.047 . 0 0 "[ . 1 . 2]" 2
584 1 79 GLN HE21 1 102 ILE HA 5.500 . 5.500 3.847 3.720 4.156 . 0 0 "[ . 1 . 2]" 2
585 1 90 ASP H 1 93 ARG H 5.500 . 5.500 5.277 5.086 5.502 0.002 9 0 "[ . 1 . 2]" 2
586 1 88 TYR H 1 90 ASP H 5.360 . 5.360 4.047 3.903 4.378 . 0 0 "[ . 1 . 2]" 2
587 1 90 ASP H 1 92 LEU MD2 4.580 . 4.580 4.456 4.283 4.571 . 0 0 "[ . 1 . 2]" 2
588 1 84 GLU H 1 85 GLU H 5.500 . 5.500 2.800 2.521 3.004 . 0 0 "[ . 1 . 2]" 2
589 1 86 GLN H 1 89 ILE MD 5.500 . 5.500 4.452 4.154 4.981 . 0 0 "[ . 1 . 2]" 2
590 1 87 LEU H 1 88 TYR H 3.420 . 3.420 2.309 2.111 2.499 . 0 0 "[ . 1 . 2]" 2
591 1 88 TYR H 1 88 TYR QD 4.220 . 4.220 4.155 4.088 4.221 0.001 14 0 "[ . 1 . 2]" 2
592 1 88 TYR H 1 89 ILE HB 5.500 . 5.500 4.752 4.517 4.987 . 0 0 "[ . 1 . 2]" 2
593 1 87 LEU QB 1 88 TYR H 3.300 . 3.300 2.927 2.682 3.152 . 0 0 "[ . 1 . 2]" 2
594 1 127 ASN HA 1 127 ASN HD21 3.470 . 3.470 2.730 1.766 3.495 0.025 8 0 "[ . 1 . 2]" 2
595 1 25 TYR H 1 52 LEU HB3 4.280 . 4.280 4.310 4.284 4.337 0.057 6 0 "[ . 1 . 2]" 2
596 1 8 GLY H 1 28 LEU HA 5.500 . 5.500 3.914 3.346 4.720 . 0 0 "[ . 1 . 2]" 2
597 1 26 GLY H 1 28 LEU H 5.500 . 5.500 5.284 4.988 5.521 0.021 14 0 "[ . 1 . 2]" 2
598 1 29 ILE HA 1 30 PHE H 3.450 . 3.450 2.222 2.075 2.463 . 0 0 "[ . 1 . 2]" 2
599 1 30 PHE H 1 30 PHE HB2 4.030 . 4.030 2.724 2.619 2.834 . 0 0 "[ . 1 . 2]" 2
600 1 103 TRP HE1 1 122 LYS QD 5.500 . 5.500 3.750 2.504 5.536 0.036 8 0 "[ . 1 . 2]" 2
601 1 103 TRP HE1 1 122 LYS H 4.880 . 4.880 4.171 3.971 4.353 . 0 0 "[ . 1 . 2]" 2
602 1 12 GLY H 1 15 ALA MB 4.350 . 4.350 4.391 4.354 4.412 0.062 17 0 "[ . 1 . 2]" 2
603 1 102 ILE MG 1 103 TRP H 3.430 . 3.430 2.442 2.361 2.536 . 0 0 "[ . 1 . 2]" 2
604 1 77 ALA HA 1 103 TRP H 5.500 . 5.500 5.024 4.883 5.192 . 0 0 "[ . 1 . 2]" 2
605 1 79 GLN HA 1 103 TRP H 3.950 . 3.950 2.539 2.407 2.650 . 0 0 "[ . 1 . 2]" 2
606 1 80 LEU H 1 103 TRP H 3.500 . 3.500 3.524 3.463 3.578 0.078 4 0 "[ . 1 . 2]" 2
607 1 58 PHE HB2 1 59 ARG H 4.290 . 4.290 3.804 2.242 4.270 . 0 0 "[ . 1 . 2]" 2
608 1 61 HIS H 1 61 HIS HB2 4.130 . 4.130 2.875 2.512 3.778 . 0 0 "[ . 1 . 2]" 2
609 1 61 HIS H 1 61 HIS HB3 4.130 . 4.130 3.651 3.238 3.824 . 0 0 "[ . 1 . 2]" 2
610 1 58 PHE HB3 1 59 ARG H 4.290 . 4.290 3.708 3.220 4.025 . 0 0 "[ . 1 . 2]" 2
611 1 120 VAL MG1 1 121 ASP H 3.840 . 3.840 3.732 3.601 3.842 0.002 17 0 "[ . 1 . 2]" 2
612 1 29 ILE H 1 29 ILE MG 4.510 . 4.510 3.366 3.018 3.883 . 0 0 "[ . 1 . 2]" 2
613 1 28 LEU HB3 1 29 ILE H 4.290 . 4.290 3.703 3.487 3.905 . 0 0 "[ . 1 . 2]" 2
614 1 29 ILE H 1 29 ILE MD 4.100 . 4.100 3.767 1.873 3.939 . 0 0 "[ . 1 . 2]" 2
615 1 75 LEU HB3 1 76 ALA H 4.860 . 4.860 1.961 1.788 2.153 . 0 0 "[ . 1 . 2]" 2
616 1 101 ALA MB 1 102 ILE H 3.250 . 3.250 2.230 2.028 2.460 . 0 0 "[ . 1 . 2]" 2
617 1 10 THR H 1 10 THR MG 2.920 . 2.920 2.325 2.137 2.675 . 0 0 "[ . 1 . 2]" 2
618 1 20 ASP H 1 52 LEU QD 5.500 . 5.500 4.198 4.060 4.342 . 0 0 "[ . 1 . 2]" 2
619 1 76 ALA H 1 77 ALA MB 4.210 . 4.210 4.122 4.036 4.213 0.003 17 0 "[ . 1 . 2]" 2
620 1 77 ALA MB 1 102 ILE H 4.440 . 4.440 4.309 4.118 4.447 0.007 4 0 "[ . 1 . 2]" 2
621 1 89 ILE MD 1 118 GLN H 5.500 . 5.500 5.497 5.238 5.555 0.055 8 0 "[ . 1 . 2]" 2
622 1 92 LEU MD2 1 93 ARG H 5.500 . 5.500 4.091 3.928 4.205 . 0 0 "[ . 1 . 2]" 2
623 1 28 LEU MD2 1 55 VAL H 3.850 . 3.850 3.612 2.696 3.885 0.035 4 0 "[ . 1 . 2]" 2
624 1 93 ARG H 1 102 ILE MD 3.800 . 3.800 2.909 2.692 3.806 0.006 16 0 "[ . 1 . 2]" 2
625 1 92 LEU HB3 1 93 ARG H 4.600 . 4.600 3.232 3.046 3.398 . 0 0 "[ . 1 . 2]" 2
626 1 54 TYR H 1 75 LEU HB3 5.330 . 5.330 5.144 4.747 5.340 0.010 3 0 "[ . 1 . 2]" 2
627 1 32 ALA H 1 32 ALA MB 3.250 . 3.250 2.208 2.179 2.261 . 0 0 "[ . 1 . 2]" 2
628 1 55 VAL HB 1 76 ALA H 5.470 . 5.470 4.757 4.437 5.131 . 0 0 "[ . 1 . 2]" 2
629 1 120 VAL HB 1 121 ASP H 4.600 . 4.600 2.590 2.307 2.797 . 0 0 "[ . 1 . 2]" 2
630 1 20 ASP H 1 20 ASP HB3 3.480 . 3.480 2.560 2.371 3.543 0.063 11 0 "[ . 1 . 2]" 2
631 1 54 TYR H 1 54 TYR HB2 2.900 . 2.900 2.578 2.416 2.930 0.030 18 0 "[ . 1 . 2]" 2
632 1 118 GLN H 1 118 GLN HB2 4.150 . 4.150 3.350 2.155 3.849 . 0 0 "[ . 1 . 2]" 2
633 1 76 ALA H 1 100 VAL HA 5.500 . 5.500 4.458 4.216 4.712 . 0 0 "[ . 1 . 2]" 2
634 1 102 ILE H 1 120 VAL HA 5.500 . 5.500 4.315 3.681 4.811 . 0 0 "[ . 1 . 2]" 2
635 1 121 ASP H 1 122 LYS HA 5.500 . 5.500 5.013 4.890 5.119 . 0 0 "[ . 1 . 2]" 2
636 1 29 ILE H 1 37 CYS HA 5.500 . 5.500 2.926 2.414 3.284 . 0 0 "[ . 1 . 2]" 2
637 1 13 GLN H 1 13 GLN HA 2.910 . 2.910 2.820 2.736 2.891 . 0 0 "[ . 1 . 2]" 2
638 1 16 LYS HA 1 20 ASP H 5.500 . 5.500 3.830 3.653 4.104 . 0 0 "[ . 1 . 2]" 2
639 1 90 ASP HA 1 93 ARG H 4.910 . 4.910 3.924 3.440 4.230 . 0 0 "[ . 1 . 2]" 2
640 1 28 LEU HA 1 29 ILE H 2.410 . 2.410 2.164 2.063 2.341 . 0 0 "[ . 1 . 2]" 2
641 1 101 ALA HA 1 102 ILE H 2.810 . 2.810 2.478 2.372 2.577 . 0 0 "[ . 1 . 2]" 2
642 1 55 VAL HA 1 76 ALA H 5.310 . 5.310 3.254 2.871 3.494 . 0 0 "[ . 1 . 2]" 2
643 1 9 LEU HA 1 10 THR H 3.190 . 3.190 2.374 2.200 2.625 . 0 0 "[ . 1 . 2]" 2
644 1 12 GLY HA3 1 13 GLN H 3.310 . 3.310 2.593 2.311 2.966 . 0 0 "[ . 1 . 2]" 2
645 1 103 TRP HA 1 121 ASP H 4.910 . 4.910 3.134 2.883 3.393 . 0 0 "[ . 1 . 2]" 2
646 1 102 ILE H 1 103 TRP HA 5.480 . 5.480 4.610 4.520 4.710 . 0 0 "[ . 1 . 2]" 2
647 1 27 GLY HA2 1 55 VAL H 4.450 . 4.450 4.073 3.477 4.466 0.016 16 0 "[ . 1 . 2]" 2
648 1 103 TRP HD1 1 121 ASP H 4.760 . 4.760 3.021 2.829 3.296 . 0 0 "[ . 1 . 2]" 2
649 1 103 TRP H 1 104 LYS H 5.500 . 5.500 4.424 4.334 4.494 . 0 0 "[ . 1 . 2]" 2
650 1 26 GLY H 1 54 TYR H 5.500 . 5.500 4.749 4.310 4.923 . 0 0 "[ . 1 . 2]" 2
651 1 102 ILE H 1 103 TRP H 5.270 . 5.270 4.231 4.178 4.306 . 0 0 "[ . 1 . 2]" 2
652 1 102 ILE H 1 103 TRP HE1 5.500 . 5.500 4.629 4.318 4.892 . 0 0 "[ . 1 . 2]" 2
653 1 17 ALA H 1 20 ASP H 5.500 . 5.500 4.508 4.413 4.563 . 0 0 "[ . 1 . 2]" 2
654 1 28 LEU H 1 28 LEU MD2 3.490 . 3.490 2.843 2.434 3.430 . 0 0 "[ . 1 . 2]" 2
655 1 70 ALA MB 1 72 VAL H 5.500 . 5.500 4.791 4.618 4.922 . 0 0 "[ . 1 . 2]" 2
656 1 5 LYS QG 1 27 GLY H 5.500 . 5.500 3.929 2.592 4.919 . 0 0 "[ . 1 . 2]" 2
657 1 70 ALA H 1 72 VAL H 4.830 . 4.830 4.397 4.250 4.511 . 0 0 "[ . 1 . 2]" 2
658 1 58 PHE H 1 79 GLN H 3.830 . 3.830 3.720 3.210 3.883 0.053 14 0 "[ . 1 . 2]" 2
659 1 30 PHE HZ 1 57 VAL H 5.200 . 5.200 5.174 4.995 5.240 0.040 7 0 "[ . 1 . 2]" 2
660 1 27 GLY H 1 27 GLY HA3 2.550 . 2.550 2.439 2.324 2.556 0.006 12 0 "[ . 1 . 2]" 2
661 1 29 ILE MG 1 57 VAL H 2.270 . 2.270 2.107 1.887 2.288 0.018 7 0 "[ . 1 . 2]" 2
662 1 63 ILE MD 1 92 LEU H 3.180 . 3.180 3.062 2.897 3.188 0.008 18 0 "[ . 1 . 2]" 2
663 1 92 LEU H 1 92 LEU HB3 4.140 . 4.140 3.626 3.551 3.695 . 0 0 "[ . 1 . 2]" 2
664 1 63 ILE H 1 63 ILE MD 4.770 . 4.770 4.424 4.386 4.490 . 0 0 "[ . 1 . 2]" 2
665 1 92 LEU H 1 92 LEU HG 5.500 . 5.500 4.058 3.982 4.144 . 0 0 "[ . 1 . 2]" 2
666 1 85 GLU HB2 1 86 GLN H 4.620 . 4.620 4.186 3.912 4.305 . 0 0 "[ . 1 . 2]" 2
667 1 41 GLU HB3 1 42 GLN H 3.880 . 3.880 3.317 2.780 3.767 . 0 0 "[ . 1 . 2]" 2
668 1 85 GLU HB3 1 86 GLN H 4.620 . 4.620 3.510 2.789 4.172 . 0 0 "[ . 1 . 2]" 2
669 1 89 ILE HA 1 92 LEU H 5.430 . 5.430 3.306 3.194 3.417 . 0 0 "[ . 1 . 2]" 2
670 1 108 VAL HA 1 109 GLY H 3.550 . 3.550 2.147 1.939 2.348 . 0 0 "[ . 1 . 2]" 2
671 1 91 THR HB 1 92 LEU H 2.840 . 2.840 2.454 2.277 2.604 . 0 0 "[ . 1 . 2]" 2
672 1 107 SER HA 1 126 ASP H 4.770 . 4.770 3.495 2.750 4.541 . 0 0 "[ . 1 . 2]" 2
673 1 119 HIS H 1 119 HIS HA 2.310 . 2.310 2.176 2.029 2.255 . 0 0 "[ . 1 . 2]" 2
674 1 113 PRO HA 1 114 ALA H 2.860 . 2.860 2.253 2.132 2.405 . 0 0 "[ . 1 . 2]" 2
675 1 118 GLN HA 1 119 HIS H 3.070 . 3.070 2.407 1.903 2.765 . 0 0 "[ . 1 . 2]" 2
676 1 122 LYS HA 1 123 TYR H 2.530 . 2.530 2.367 2.236 2.497 . 0 0 "[ . 1 . 2]" 2
677 1 105 ALA HA 1 126 ASP H 5.500 . 5.500 4.724 4.076 5.513 0.013 20 0 "[ . 1 . 2]" 2
678 1 104 LYS HA 1 106 LEU H 5.500 . 5.500 5.394 5.219 5.527 0.027 13 0 "[ . 1 . 2]" 2
679 1 86 GLN H 1 117 PHE QE 4.840 . 4.840 3.924 3.373 4.416 . 0 0 "[ . 1 . 2]" 2
680 1 98 ALA H 1 99 HIS H 3.780 . 3.780 2.638 2.472 2.796 . 0 0 "[ . 1 . 2]" 2
681 1 3 GLU H 1 4 ASN H 5.500 . 5.500 4.178 2.804 4.565 . 0 0 "[ . 1 . 2]" 2
682 1 85 GLU H 1 87 LEU H 5.500 . 5.500 5.476 5.245 5.523 0.023 6 0 "[ . 1 . 2]" 2
683 1 108 VAL H 1 109 GLY H 5.500 . 5.500 4.520 4.306 4.633 . 0 0 "[ . 1 . 2]" 2
684 1 125 LEU H 1 126 ASP H 5.500 . 5.500 4.563 4.459 4.647 . 0 0 "[ . 1 . 2]" 2
685 1 126 ASP H 1 127 ASN H 5.500 . 5.500 4.332 3.884 4.592 . 0 0 "[ . 1 . 2]" 2
686 1 86 GLN H 1 87 LEU H 3.820 . 3.820 2.279 2.179 2.380 . 0 0 "[ . 1 . 2]" 2
687 1 42 GLN H 1 43 ALA H 3.600 . 3.600 2.438 2.121 2.618 . 0 0 "[ . 1 . 2]" 2
688 1 28 LEU H 1 55 VAL H 4.800 . 4.800 3.657 3.343 3.953 . 0 0 "[ . 1 . 2]" 2
689 1 61 HIS H 1 62 ASP H 5.500 . 5.500 2.425 2.114 2.798 . 0 0 "[ . 1 . 2]" 2
690 1 124 VAL QG 1 125 LEU H 3.140 . 3.140 2.694 1.699 3.120 . 0 0 "[ . 1 . 2]" 2
691 1 70 ALA H 1 72 VAL MG2 5.500 . 5.500 5.106 4.964 5.284 . 0 0 "[ . 1 . 2]" 2
692 1 40 VAL H 1 40 VAL MG1 4.110 . 4.110 2.555 1.803 3.767 . 0 0 "[ . 1 . 2]" 2
693 1 97 PRO HB2 1 98 ALA H 2.620 . 2.620 2.608 2.566 2.631 0.011 3 0 "[ . 1 . 2]" 2
694 1 114 ALA H 1 114 ALA MB 2.960 . 2.960 2.247 2.218 2.277 . 0 0 "[ . 1 . 2]" 2
695 1 124 VAL HB 1 125 LEU H 3.730 . 3.730 2.586 1.916 3.797 0.067 4 0 "[ . 1 . 2]" 2
696 1 113 PRO QB 1 114 ALA H 3.470 . 3.470 2.955 2.632 3.431 . 0 0 "[ . 1 . 2]" 2
697 1 87 LEU H 1 87 LEU HG 2.750 . 2.750 2.163 2.040 2.298 . 0 0 "[ . 1 . 2]" 2
698 1 3 GLU H 1 3 GLU QG 4.620 . 4.620 2.938 1.775 4.084 . 0 0 "[ . 1 . 2]" 2
699 1 127 ASN H 1 127 ASN QB 3.090 . 3.090 2.403 2.167 2.660 . 0 0 "[ . 1 . 2]" 2
700 1 108 VAL H 1 108 VAL HB 3.640 . 3.640 3.640 3.616 3.657 0.017 2 0 "[ . 1 . 2]" 2
701 1 16 LYS HA 1 19 TYR H 4.150 . 4.150 3.051 2.861 3.350 . 0 0 "[ . 1 . 2]" 2
702 1 97 PRO HA 1 98 ALA H 2.660 . 2.660 2.350 2.288 2.417 . 0 0 "[ . 1 . 2]" 2
703 1 106 LEU H 1 125 LEU HA 4.590 . 4.590 3.185 2.745 3.567 . 0 0 "[ . 1 . 2]" 2
704 1 17 ALA HA 1 19 TYR H 5.500 . 5.500 4.412 4.156 4.708 . 0 0 "[ . 1 . 2]" 2
705 1 19 TYR H 1 20 ASP HA 5.500 . 5.500 5.115 4.932 5.267 . 0 0 "[ . 1 . 2]" 2
706 1 30 PHE HA 1 40 VAL H 5.230 . 5.230 4.524 4.289 4.903 . 0 0 "[ . 1 . 2]" 2
707 1 56 GLY H 1 78 VAL HA 3.430 . 3.430 2.376 2.276 2.510 . 0 0 "[ . 1 . 2]" 2
708 1 78 VAL H 1 103 TRP HD1 5.500 . 5.500 5.025 4.974 5.125 . 0 0 "[ . 1 . 2]" 2
709 1 123 TYR QD 1 124 VAL H 4.240 . 4.240 3.537 3.112 3.812 . 0 0 "[ . 1 . 2]" 2
710 1 41 GLU H 1 44 GLN HE22 5.500 . 5.500 5.467 4.807 5.618 0.118 11 0 "[ . 1 . 2]" 2
711 1 40 VAL H 1 41 GLU H 3.900 . 3.900 2.870 2.672 3.009 . 0 0 "[ . 1 . 2]" 2
712 1 82 GLY H 1 83 ASN H 4.240 . 4.240 2.829 2.567 3.111 . 0 0 "[ . 1 . 2]" 2
713 1 6 VAL H 1 27 GLY H 3.610 . 3.610 2.258 1.937 2.880 . 0 0 "[ . 1 . 2]" 2
714 1 78 VAL H 1 103 TRP H 3.270 . 3.270 3.233 3.127 3.287 0.017 7 0 "[ . 1 . 2]" 2
715 1 116 GLU H 1 117 PHE H 3.180 . 3.180 2.236 1.903 2.929 . 0 0 "[ . 1 . 2]" 2
716 1 5 LYS HA 1 6 VAL H 3.470 . 3.470 2.159 1.959 2.301 . 0 0 "[ . 1 . 2]" 2
717 1 115 ARG HA 1 116 GLU H 3.470 . 3.470 2.098 1.944 2.362 . 0 0 "[ . 1 . 2]" 2
718 1 8 GLY H 1 37 CYS HA 3.100 . 3.100 2.066 1.687 2.747 . 0 0 "[ . 1 . 2]" 2
719 1 86 GLN HA 1 89 ILE H 5.230 . 5.230 4.030 3.768 4.506 . 0 0 "[ . 1 . 2]" 2
720 1 87 LEU HA 1 89 ILE H 5.240 . 5.240 3.902 3.719 4.141 . 0 0 "[ . 1 . 2]" 2
721 1 69 LYS HA 1 71 LYS H 4.970 . 4.970 4.180 3.946 4.361 . 0 0 "[ . 1 . 2]" 2
722 1 44 GLN H 1 44 GLN HA 2.790 . 2.790 2.761 2.652 2.809 0.019 3 0 "[ . 1 . 2]" 2
723 1 7 CYS QB 1 8 GLY H 5.500 . 5.500 2.373 2.295 2.595 . 0 0 "[ . 1 . 2]" 2
724 1 44 GLN H 1 44 GLN HB2 3.240 . 3.240 2.432 2.092 3.342 0.102 20 0 "[ . 1 . 2]" 2
725 1 41 GLU H 1 41 GLU HB3 3.380 . 3.380 3.458 3.434 3.478 0.098 19 0 "[ . 1 . 2]" 2
726 1 41 GLU H 1 41 GLU HB2 2.200 . 2.200 2.224 2.202 2.250 0.050 15 0 "[ . 1 . 2]" 2
727 1 15 ALA MB 1 16 LYS H 3.630 . 3.630 2.588 2.280 2.860 . 0 0 "[ . 1 . 2]" 2
728 1 108 VAL H 1 108 VAL MG2 3.010 . 3.010 2.010 1.907 2.216 . 0 0 "[ . 1 . 2]" 2
729 1 29 ILE MG 1 30 PHE H 2.630 . 2.630 2.587 2.009 2.746 0.116 2 0 "[ . 1 . 2]" 2
730 1 105 ALA H 1 105 ALA MB 2.750 . 2.750 2.239 2.210 2.263 . 0 0 "[ . 1 . 2]" 2
731 1 89 ILE H 1 89 ILE MD 2.610 . 2.610 1.993 1.770 2.294 . 0 0 "[ . 1 . 2]" 2
732 1 5 LYS H 1 5 LYS QG 3.770 . 3.770 2.438 1.916 3.827 0.057 2 0 "[ . 1 . 2]" 2
733 1 5 LYS H 1 5 LYS QD 4.640 . 4.640 3.990 3.065 4.641 0.001 2 0 "[ . 1 . 2]" 2
734 1 69 LYS H 1 69 LYS HG2 2.200 . 2.200 2.084 1.992 2.201 0.001 15 0 "[ . 1 . 2]" 2
735 1 69 LYS H 1 70 ALA MB 4.380 . 4.380 4.237 4.104 4.387 0.007 11 0 "[ . 1 . 2]" 2
736 1 30 PHE H 1 30 PHE HB3 4.030 . 4.030 3.721 3.637 3.779 . 0 0 "[ . 1 . 2]" 2
737 1 71 LYS H 1 71 LYS QB 2.390 . 2.390 2.212 2.090 2.296 . 0 0 "[ . 1 . 2]" 2
738 1 6 VAL H 1 18 ALA MB 4.600 . 4.600 3.612 2.702 4.203 . 0 0 "[ . 1 . 2]" 2
739 1 89 ILE H 1 90 ASP HB2 4.580 . 4.580 4.621 4.590 4.652 0.072 11 0 "[ . 1 . 2]" 2
740 1 6 VAL H 1 26 GLY HA3 4.400 . 4.400 3.059 2.359 3.747 . 0 0 "[ . 1 . 2]" 2
741 1 25 TYR HB3 1 26 GLY H 4.940 . 4.940 4.078 3.652 4.240 . 0 0 "[ . 1 . 2]" 2
742 1 110 GLU H 1 111 THR H 4.950 . 4.950 2.650 1.961 4.562 . 0 0 "[ . 1 . 2]" 2
743 1 17 ALA H 1 18 ALA H 3.860 . 3.860 2.696 2.516 2.878 . 0 0 "[ . 1 . 2]" 2
744 1 47 MET H 1 48 ALA H 3.110 . 3.110 2.646 2.571 2.779 . 0 0 "[ . 1 . 2]" 2
745 1 65 ASP H 1 68 ASP H 5.500 . 5.500 4.423 4.227 4.579 . 0 0 "[ . 1 . 2]" 2
746 1 69 LYS HA 1 73 LEU H 3.360 . 3.360 3.374 3.277 3.420 0.060 4 0 "[ . 1 . 2]" 2
747 1 47 MET H 1 47 MET HA 2.900 . 2.900 2.829 2.787 2.853 . 0 0 "[ . 1 . 2]" 2
748 1 72 VAL HB 1 73 LEU H 2.510 . 2.510 2.316 2.133 2.448 . 0 0 "[ . 1 . 2]" 2
749 1 66 VAL HB 1 67 VAL H 4.470 . 4.470 2.875 2.185 4.102 . 0 0 "[ . 1 . 2]" 2
750 1 36 ARG H 1 36 ARG HB3 4.190 . 4.190 3.267 2.415 3.806 . 0 0 "[ . 1 . 2]" 2
751 1 64 ALA H 1 92 LEU MD1 5.500 . 5.500 5.366 4.940 5.530 0.030 16 0 "[ . 1 . 2]" 2
752 1 95 ALA MB 1 96 LEU H 3.740 . 3.740 2.996 2.545 3.277 . 0 0 "[ . 1 . 2]" 2
753 1 69 LYS H 1 72 VAL MG2 5.040 . 5.040 4.398 4.258 4.524 . 0 0 "[ . 1 . 2]" 2
754 1 72 VAL MG1 1 73 LEU H 3.190 . 3.190 3.154 3.003 3.208 0.018 2 0 "[ . 1 . 2]" 2
755 1 72 VAL MG2 1 73 LEU H 5.330 . 5.330 3.729 3.631 3.839 . 0 0 "[ . 1 . 2]" 2
756 1 63 ILE MG 1 64 ALA H 4.150 . 4.150 2.374 2.261 2.471 . 0 0 "[ . 1 . 2]" 2
757 1 63 ILE MD 1 64 ALA H 5.500 . 5.500 4.904 4.760 4.994 . 0 0 "[ . 1 . 2]" 2
758 1 91 THR H 1 92 LEU MD1 5.500 . 5.500 5.342 5.223 5.452 . 0 0 "[ . 1 . 2]" 2
759 1 6 VAL QG 1 18 ALA H 5.500 . 5.500 3.847 3.016 4.363 . 0 0 "[ . 1 . 2]" 2
760 1 18 ALA H 1 50 ALA MB 5.500 . 5.500 4.289 4.046 4.485 . 0 0 "[ . 1 . 2]" 2
761 1 66 VAL H 1 92 LEU MD1 5.500 . 5.500 4.429 3.886 4.826 . 0 0 "[ . 1 . 2]" 2
762 1 52 LEU HB3 1 53 GLN H 3.520 . 3.520 3.509 3.383 3.554 0.034 5 0 "[ . 1 . 2]" 2
763 1 33 THR MG 1 34 SER H 4.550 . 4.550 4.381 4.291 4.480 . 0 0 "[ . 1 . 2]" 2
764 1 88 TYR H 1 89 ILE MD 5.320 . 5.320 3.572 3.201 3.930 . 0 0 "[ . 1 . 2]" 2
765 1 103 TRP HE3 1 124 VAL QG 3.850 . 3.850 2.122 1.978 2.300 . 0 0 "[ . 1 . 2]" 2
766 1 33 THR MG 1 42 GLN HE22 5.490 . 5.490 3.817 2.397 4.745 . 0 0 "[ . 1 . 2]" 2
767 1 113 PRO QG 1 115 ARG H 5.500 . 5.500 4.746 3.762 5.211 . 0 0 "[ . 1 . 2]" 2
768 1 75 LEU HB3 1 77 ALA H 4.190 . 4.190 3.028 2.717 3.644 . 0 0 "[ . 1 . 2]" 2
769 1 114 ALA MB 1 115 ARG H 4.330 . 4.330 2.598 2.361 3.046 . 0 0 "[ . 1 . 2]" 2
770 1 18 ALA H 1 18 ALA MB 2.180 . 2.180 2.197 2.187 2.209 0.029 1 0 "[ . 1 . 2]" 2
771 1 17 ALA MB 1 18 ALA H 3.260 . 3.260 2.743 2.531 2.857 . 0 0 "[ . 1 . 2]" 2
772 1 76 ALA MB 1 77 ALA H 3.470 . 3.470 2.463 1.879 2.713 . 0 0 "[ . 1 . 2]" 2
773 1 66 VAL H 1 67 VAL HB 5.000 . 5.000 4.746 4.616 4.871 . 0 0 "[ . 1 . 2]" 2
774 1 79 GLN HB3 1 103 TRP HE3 5.500 . 5.500 5.516 5.350 5.557 0.057 18 0 "[ . 1 . 2]" 2
775 1 97 PRO HG2 1 99 HIS H 5.500 . 5.500 3.289 2.967 3.843 . 0 0 "[ . 1 . 2]" 2
776 1 39 ASN HD22 1 41 GLU HB2 5.120 . 5.120 2.180 1.957 2.745 . 0 0 "[ . 1 . 2]" 2
777 1 110 GLU H 1 110 GLU QG 3.290 . 3.290 2.412 1.824 3.068 . 0 0 "[ . 1 . 2]" 2
778 1 39 ASN H 1 42 GLN HG2 5.130 . 5.130 4.614 1.913 5.170 0.040 9 0 "[ . 1 . 2]" 2
779 1 97 PRO HB3 1 99 HIS HE1 4.940 . 4.940 4.746 4.242 4.978 0.038 20 0 "[ . 1 . 2]" 2
780 1 42 GLN HE22 1 42 GLN HG3 3.890 . 3.890 3.435 3.350 3.938 0.048 8 0 "[ . 1 . 2]" 2
781 1 42 GLN HE22 1 42 GLN HG2 3.890 . 3.890 3.819 3.296 3.933 0.043 6 0 "[ . 1 . 2]" 2
782 1 62 ASP HB2 1 65 ASP H 4.510 . 4.510 3.972 2.739 4.540 0.030 12 0 "[ . 1 . 2]" 2
783 1 127 ASN QB 1 127 ASN HD21 2.580 . 2.580 2.353 2.180 2.644 0.064 14 0 "[ . 1 . 2]" 2
784 1 65 ASP H 1 65 ASP QB 2.580 . 2.580 2.308 2.235 2.355 . 0 0 "[ . 1 . 2]" 2
785 1 65 ASP QB 1 66 VAL H 3.230 . 3.230 2.624 2.347 2.848 . 0 0 "[ . 1 . 2]" 2
786 1 112 LEU H 1 113 PRO QD 5.500 . 5.500 4.116 3.493 4.427 . 0 0 "[ . 1 . 2]" 2
787 1 15 ALA HA 1 18 ALA H 4.560 . 4.560 3.736 3.393 4.026 . 0 0 "[ . 1 . 2]" 2
788 1 12 GLY HA2 1 15 ALA H 4.410 . 4.410 3.546 3.161 3.817 . 0 0 "[ . 1 . 2]" 2
789 1 77 ALA H 1 78 VAL HA 5.190 . 5.190 4.770 4.643 5.012 . 0 0 "[ . 1 . 2]" 2
790 1 79 GLN HA 1 103 TRP HE3 5.500 . 5.500 5.175 5.031 5.283 . 0 0 "[ . 1 . 2]" 2
791 1 39 ASN H 1 39 ASN HD21 5.310 . 5.310 3.827 2.513 3.999 . 0 0 "[ . 1 . 2]" 2
792 1 20 ASP H 1 22 GLY H 4.960 . 4.960 4.153 4.028 4.352 . 0 0 "[ . 1 . 2]" 2
793 1 32 ALA H 1 34 SER H 5.500 . 5.500 4.617 4.391 5.039 . 0 0 "[ . 1 . 2]" 2
794 1 103 TRP H 1 103 TRP HE3 5.010 . 5.010 5.041 5.021 5.065 0.055 19 0 "[ . 1 . 2]" 2
795 1 77 ALA H 1 103 TRP HZ2 5.500 . 5.500 5.509 4.925 5.565 0.065 10 0 "[ . 1 . 2]" 2
796 1 89 ILE MD 1 117 PHE QE 4.630 . 4.630 3.104 2.581 3.451 . 0 0 "[ . 1 . 2]" 2
797 1 89 ILE MD 1 117 PHE QD 2.840 . 2.840 2.305 1.928 2.632 . 0 0 "[ . 1 . 2]" 2
798 1 120 VAL H 1 120 VAL MG2 2.620 . 2.620 2.119 1.940 2.316 . 0 0 "[ . 1 . 2]" 2
799 1 72 VAL MG1 1 74 SER H 4.960 . 4.960 4.636 4.445 4.717 . 0 0 "[ . 1 . 2]" 2
800 1 73 LEU QD 1 74 SER H 5.200 . 5.200 4.022 3.629 4.346 . 0 0 "[ . 1 . 2]" 2
801 1 120 VAL H 1 120 VAL MG1 2.960 . 2.960 2.514 2.270 2.748 . 0 0 "[ . 1 . 2]" 2
802 1 10 THR MG 1 11 ARG H 3.760 . 3.760 3.277 2.653 3.825 0.065 19 0 "[ . 1 . 2]" 2
803 1 91 THR MG 1 94 GLU H 5.500 . 5.500 4.305 4.117 4.517 . 0 0 "[ . 1 . 2]" 2
804 1 24 ILE MG 1 25 TYR QD 3.460 . 3.460 2.274 1.954 2.947 . 0 0 "[ . 1 . 2]" 2
805 1 63 ILE MD 1 95 ALA H 3.810 . 3.810 2.919 2.702 3.108 . 0 0 "[ . 1 . 2]" 2
806 1 106 LEU MD2 1 123 TYR QD 3.990 . 3.990 2.799 2.129 4.038 0.048 4 0 "[ . 1 . 2]" 2
807 1 52 LEU QD 1 54 TYR QD 5.160 . 5.160 3.128 2.724 3.731 . 0 0 "[ . 1 . 2]" 2
808 1 92 LEU MD1 1 95 ALA H 5.120 . 5.120 4.700 4.509 4.923 . 0 0 "[ . 1 . 2]" 2
809 1 19 TYR QD 1 50 ALA MB 3.940 . 3.940 3.269 3.051 3.518 . 0 0 "[ . 1 . 2]" 2
810 1 54 TYR QD 1 75 LEU QD 3.980 . 3.980 3.486 2.543 3.977 . 0 0 "[ . 1 . 2]" 2
811 1 70 ALA MB 1 74 SER H 5.130 . 5.130 4.965 4.803 5.131 0.001 14 0 "[ . 1 . 2]" 2
812 1 49 ALA H 1 50 ALA MB 5.500 . 5.500 4.336 4.154 4.630 . 0 0 "[ . 1 . 2]" 2
813 1 45 GLU H 1 47 MET QB 5.500 . 5.500 5.491 5.414 5.532 0.032 20 0 "[ . 1 . 2]" 2
814 1 75 LEU H 1 75 LEU HG 3.120 . 3.120 2.392 2.203 3.248 0.128 17 0 "[ . 1 . 2]" 2
815 1 73 LEU HB3 1 74 SER H 4.850 . 4.850 3.560 3.018 4.292 . 0 0 "[ . 1 . 2]" 2
816 1 33 THR H 1 33 THR MG 4.010 . 4.010 2.681 2.504 2.845 . 0 0 "[ . 1 . 2]" 2
817 1 24 ILE HB 1 25 TYR H 3.720 . 3.720 2.031 1.816 2.143 . 0 0 "[ . 1 . 2]" 2
818 1 120 VAL HB 1 122 LYS H 4.380 . 4.380 3.081 2.709 3.304 . 0 0 "[ . 1 . 2]" 2
819 1 116 GLU HB3 1 117 PHE QE 5.500 . 5.500 3.489 2.647 4.978 . 0 0 "[ . 1 . 2]" 2
820 1 94 GLU H 1 94 GLU HG2 3.470 . 3.470 3.192 1.950 3.477 0.007 5 0 "[ . 1 . 2]" 2
821 1 25 TYR QD 1 53 GLN QG 5.500 . 5.500 4.642 2.486 5.513 0.013 19 0 "[ . 1 . 2]" 2
822 1 53 GLN QG 1 54 TYR QD 5.500 . 5.500 5.002 4.574 5.508 0.008 2 0 "[ . 1 . 2]" 2
823 1 39 ASN HD21 1 41 GLU HG3 5.500 . 5.500 3.216 1.995 4.130 . 0 0 "[ . 1 . 2]" 2
824 1 45 GLU H 1 45 GLU QG 2.590 . 2.590 2.246 1.925 2.609 0.019 9 0 "[ . 1 . 2]" 2
825 1 97 PRO HB2 1 99 HIS HD2 5.500 . 5.500 4.108 2.529 5.449 . 0 0 "[ . 1 . 2]" 2
826 1 98 ALA MB 1 99 HIS HD2 5.500 . 5.500 4.759 3.637 5.553 0.053 14 0 "[ . 1 . 2]" 2
827 1 46 VAL HA 1 49 ALA H 4.870 . 4.870 3.220 2.974 3.531 . 0 0 "[ . 1 . 2]" 2
828 1 43 ALA HA 1 45 GLU H 4.800 . 4.800 3.955 3.707 4.159 . 0 0 "[ . 1 . 2]" 2
829 1 47 MET HA 1 49 ALA H 5.100 . 5.100 3.817 3.444 4.139 . 0 0 "[ . 1 . 2]" 2
830 1 33 THR HA 1 42 GLN HE22 3.000 . 3.000 2.722 1.900 3.026 0.026 15 0 "[ . 1 . 2]" 2
831 1 86 GLN HA 1 117 PHE QD 4.390 . 4.390 2.313 1.802 3.588 . 0 0 "[ . 1 . 2]" 2
832 1 9 LEU HA 1 11 ARG H 4.150 . 4.150 3.857 3.561 4.155 0.005 17 0 "[ . 1 . 2]" 2
833 1 39 ASN HA 1 39 ASN HD22 5.080 . 5.080 5.115 5.083 5.138 0.058 16 0 "[ . 1 . 2]" 2
834 1 120 VAL H 1 121 ASP HA 5.450 . 5.450 5.175 5.008 5.441 . 0 0 "[ . 1 . 2]" 2
835 1 45 GLU H 1 48 ALA H 5.500 . 5.500 5.131 4.912 5.310 . 0 0 "[ . 1 . 2]" 2
836 1 44 GLN HE21 1 45 GLU H 5.410 . 5.410 4.889 4.695 5.082 . 0 0 "[ . 1 . 2]" 2
837 1 91 THR HA 1 94 GLU H 4.280 . 4.280 3.652 3.503 3.937 . 0 0 "[ . 1 . 2]" 2
838 1 16 LYS HA 1 19 TYR QD 4.120 . 4.120 2.616 2.022 3.175 . 0 0 "[ . 1 . 2]" 2
839 1 19 TYR HA 1 19 TYR QD 3.110 . 3.110 3.122 3.020 3.170 0.060 15 0 "[ . 1 . 2]" 2
840 1 33 THR H 1 33 THR HA 2.400 . 2.400 2.203 2.177 2.230 . 0 0 "[ . 1 . 2]" 2
841 1 32 ALA HA 1 33 THR H 2.770 . 2.770 2.050 1.978 2.162 . 0 0 "[ . 1 . 2]" 2
842 1 52 LEU H 1 52 LEU HB2 3.520 . 3.520 3.542 3.521 3.566 0.046 9 0 "[ . 1 . 2]" 2
843 1 63 ILE MD 1 88 TYR QD 4.520 . 4.520 4.035 3.868 4.248 . 0 0 "[ . 1 . 2]" 2
844 1 88 TYR QD 1 89 ILE MD 4.720 . 4.720 2.869 2.294 4.069 . 0 0 "[ . 1 . 2]" 2
845 1 88 TYR QD 1 92 LEU MD2 4.920 . 4.920 3.033 2.880 3.116 . 0 0 "[ . 1 . 2]" 2
846 1 106 LEU MD1 1 123 TYR QD 3.990 . 3.990 2.978 2.001 3.400 . 0 0 "[ . 1 . 2]" 2
847 1 106 LEU MD1 1 123 TYR QE 4.240 . 4.240 3.480 2.091 4.270 0.030 11 0 "[ . 1 . 2]" 2
848 1 88 TYR QD 1 92 LEU MD1 4.750 . 4.750 4.530 4.329 4.616 . 0 0 "[ . 1 . 2]" 2
849 1 84 GLU HB2 1 88 TYR QD 4.810 . 4.810 3.303 2.517 4.412 . 0 0 "[ . 1 . 2]" 2
850 1 88 TYR QD 1 91 THR MG 5.500 . 5.500 3.279 2.862 3.739 . 0 0 "[ . 1 . 2]" 2
851 1 63 ILE HB 1 88 TYR QD 4.360 . 4.360 3.987 3.614 4.236 . 0 0 "[ . 1 . 2]" 2
852 1 84 GLU HB3 1 88 TYR QD 4.810 . 4.810 3.305 2.444 4.239 . 0 0 "[ . 1 . 2]" 2
853 1 99 HIS HB2 1 99 HIS HD2 3.730 . 3.730 3.252 2.581 3.799 0.069 1 0 "[ . 1 . 2]" 2
854 1 39 ASN HB2 1 39 ASN HD21 2.700 . 2.700 2.159 2.058 2.919 0.219 8 0 "[ . 1 . 2]" 2
855 1 84 GLU HA 1 88 TYR QD 5.500 . 5.500 5.446 4.978 5.565 0.065 3 0 "[ . 1 . 2]" 2
856 1 8 GLY QA 1 37 CYS H 4.130 . 4.130 2.539 2.245 2.833 . 0 0 "[ . 1 . 2]" 2
857 1 123 TYR HA 1 123 TYR QD 3.850 . 3.850 3.407 2.769 3.717 . 0 0 "[ . 1 . 2]" 2
858 1 99 HIS HA 1 99 HIS HD2 5.310 . 5.310 3.527 2.355 4.954 . 0 0 "[ . 1 . 2]" 2
859 1 82 GLY H 1 117 PHE QE 5.500 . 5.500 4.353 3.539 5.475 . 0 0 "[ . 1 . 2]" 2
860 1 119 HIS H 1 120 VAL H 3.350 . 3.350 2.499 2.300 2.704 . 0 0 "[ . 1 . 2]" 2
861 1 118 GLN H 1 120 VAL H 5.500 . 5.500 5.175 4.962 5.503 0.003 10 0 "[ . 1 . 2]" 2
862 1 90 ASP H 1 117 PHE QD 5.500 . 5.500 5.491 5.251 5.556 0.056 4 0 "[ . 1 . 2]" 2
863 1 32 ALA H 1 33 THR H 5.500 . 5.500 4.221 3.921 4.430 . 0 0 "[ . 1 . 2]" 2
864 1 116 GLU H 1 117 PHE QD 5.500 . 5.500 4.813 4.228 5.324 . 0 0 "[ . 1 . 2]" 2
865 1 42 GLN H 1 42 GLN HE21 5.500 . 5.500 2.945 2.725 3.651 . 0 0 "[ . 1 . 2]" 2
866 1 41 GLU H 1 42 GLN HE21 5.500 . 5.500 4.592 4.244 5.191 . 0 0 "[ . 1 . 2]" 2
867 1 123 TYR QE 1 124 VAL H 5.500 . 5.500 5.477 5.152 5.543 0.043 16 0 "[ . 1 . 2]" 2
868 1 103 TRP HD1 1 104 LYS H 5.190 . 5.190 4.546 4.364 4.908 . 0 0 "[ . 1 . 2]" 2
869 1 8 GLY H 1 37 CYS H 3.550 . 3.550 3.597 3.285 3.656 0.106 10 0 "[ . 1 . 2]" 2
870 1 25 TYR QE 1 26 GLY H 4.290 . 4.290 4.333 4.309 4.369 0.079 4 0 "[ . 1 . 2]" 2
871 1 30 PHE QE 1 57 VAL H 3.410 . 3.410 3.390 3.103 3.448 0.038 16 0 "[ . 1 . 2]" 2
872 1 85 GLU H 1 88 TYR QE 5.470 . 5.470 5.384 4.855 5.507 0.037 6 0 "[ . 1 . 2]" 2
873 1 39 ASN HD22 1 42 GLN HE21 2.990 . 2.990 2.464 2.001 3.011 0.021 8 0 "[ . 1 . 2]" 2
874 1 103 TRP HD1 1 122 LYS H 3.390 . 3.390 2.241 2.025 2.454 . 0 0 "[ . 1 . 2]" 2
875 1 39 ASN HD21 1 42 GLN HE21 3.680 . 3.680 3.546 2.581 3.762 0.082 5 0 "[ . 1 . 2]" 2
876 1 30 PHE QD 1 39 ASN HD21 5.500 . 5.500 5.447 5.022 5.546 0.046 4 0 "[ . 1 . 2]" 2
877 1 103 TRP HA 1 103 TRP HD1 3.810 . 3.810 2.465 2.361 2.648 . 0 0 "[ . 1 . 2]" 2
878 1 25 TYR HA 1 25 TYR QE 5.230 . 5.230 5.349 5.278 5.436 0.206 8 0 "[ . 1 . 2]" 2
879 1 25 TYR QE 1 103 TRP HZ3 4.820 . 4.820 4.108 2.959 4.852 0.032 4 0 "[ . 1 . 2]" 2
880 1 123 TYR HA 1 123 TYR QE 5.500 . 5.500 5.145 4.384 5.595 0.095 3 0 "[ . 1 . 2]" 2
881 1 30 PHE QE 1 56 GLY HA2 3.380 . 3.380 2.950 2.665 3.383 0.003 8 0 "[ . 1 . 2]" 2
882 1 30 PHE HA 1 30 PHE QD 3.190 . 3.190 2.972 2.748 3.193 0.003 17 0 "[ . 1 . 2]" 2
883 1 19 TYR QE 1 50 ALA HA 4.670 . 4.670 4.342 3.924 4.628 . 0 0 "[ . 1 . 2]" 2
884 1 102 ILE HA 1 103 TRP HD1 4.480 . 4.480 4.256 4.112 4.409 . 0 0 "[ . 1 . 2]" 2
885 1 61 HIS HA 1 88 TYR QD 5.500 . 5.500 5.387 4.949 5.533 0.033 16 0 "[ . 1 . 2]" 2
886 1 118 GLN HE21 1 119 HIS HA 5.500 . 5.500 5.154 4.538 5.537 0.037 3 0 "[ . 1 . 2]" 2
887 1 88 TYR QD 1 91 THR HB 5.500 . 5.500 3.009 2.799 3.316 . 0 0 "[ . 1 . 2]" 2
888 1 88 TYR HA 1 88 TYR QD 3.910 . 3.910 2.378 2.138 2.550 . 0 0 "[ . 1 . 2]" 2
889 1 33 THR HA 1 42 GLN HE21 3.990 . 3.990 3.321 2.799 3.988 . 0 0 "[ . 1 . 2]" 2
890 1 88 TYR QE 1 91 THR HB 5.500 . 5.500 4.244 4.002 4.596 . 0 0 "[ . 1 . 2]" 2
891 1 103 TRP HD1 1 122 LYS HA 5.500 . 5.500 4.592 4.418 4.698 . 0 0 "[ . 1 . 2]" 2
892 1 103 TRP HD1 1 120 VAL HA 5.500 . 5.500 5.096 4.821 5.382 . 0 0 "[ . 1 . 2]" 2
893 1 16 LYS HA 1 19 TYR QE 5.500 . 5.500 4.747 4.185 5.326 . 0 0 "[ . 1 . 2]" 2
894 1 88 TYR HA 1 88 TYR QE 5.500 . 5.500 4.569 4.403 4.679 . 0 0 "[ . 1 . 2]" 2
895 1 44 GLN HE21 1 73 LEU HA 5.250 . 5.250 4.258 3.763 4.866 . 0 0 "[ . 1 . 2]" 2
896 1 88 TYR QE 1 92 LEU HA 5.110 . 5.110 5.139 5.035 5.176 0.066 14 0 "[ . 1 . 2]" 2
897 1 103 TRP HD1 1 121 ASP HB2 3.840 . 3.840 3.362 1.915 3.839 . 0 0 "[ . 1 . 2]" 2
898 1 103 TRP HD1 1 121 ASP HB3 3.840 . 3.840 2.324 1.873 3.796 . 0 0 "[ . 1 . 2]" 2
899 1 30 PHE QE 1 56 GLY HA3 2.750 . 2.750 1.934 1.838 2.126 . 0 0 "[ . 1 . 2]" 2
900 1 41 GLU HB2 1 42 GLN HE21 4.620 . 4.620 3.466 2.558 4.079 . 0 0 "[ . 1 . 2]" 2
901 1 19 TYR QE 1 23 ALA MB 5.190 . 5.190 2.882 2.460 3.338 . 0 0 "[ . 1 . 2]" 2
902 1 103 TRP HD1 1 120 VAL HB 4.490 . 4.490 4.296 3.965 4.523 0.033 11 0 "[ . 1 . 2]" 2
903 1 42 GLN HB3 1 42 GLN HE21 4.810 . 4.810 4.124 3.910 4.654 . 0 0 "[ . 1 . 2]" 2
904 1 63 ILE HB 1 88 TYR QE 2.540 . 2.540 2.033 1.870 2.337 . 0 0 "[ . 1 . 2]" 2
905 1 88 TYR QE 1 91 THR MG 5.500 . 5.500 3.809 3.478 4.328 . 0 0 "[ . 1 . 2]" 2
906 1 33 THR MG 1 42 GLN HE21 5.500 . 5.500 3.778 2.895 5.003 . 0 0 "[ . 1 . 2]" 2
907 1 88 TYR QE 1 92 LEU MD1 3.500 . 3.500 3.430 3.227 3.521 0.021 6 0 "[ . 1 . 2]" 2
908 1 125 LEU QD 1 127 ASN HD22 5.500 . 5.500 4.176 2.273 5.539 0.039 8 0 "[ . 1 . 2]" 2
909 1 24 ILE MG 1 25 TYR QE 4.700 . 4.700 3.939 2.992 4.699 . 0 0 "[ . 1 . 2]" 2
910 1 63 ILE MG 1 88 TYR QE 5.080 . 5.080 3.239 2.992 3.698 . 0 0 "[ . 1 . 2]" 2
911 1 30 PHE QE 1 75 LEU QD 2.710 . 2.710 2.699 2.444 2.788 0.078 20 0 "[ . 1 . 2]" 2
912 1 103 TRP HH2 1 124 VAL QG 4.450 . 4.450 4.333 3.859 4.486 0.036 4 0 "[ . 1 . 2]" 2
913 1 77 ALA MB 1 103 TRP HD1 3.530 . 3.530 3.532 3.391 3.570 0.040 4 0 "[ . 1 . 2]" 2
914 1 77 ALA MB 1 103 TRP HZ2 3.360 . 3.360 2.852 2.796 2.918 . 0 0 "[ . 1 . 2]" 2
915 1 30 PHE QD 1 69 LYS HG3 4.000 . 4.000 3.940 3.611 4.025 0.025 15 0 "[ . 1 . 2]" 2
916 1 30 PHE QE 1 69 LYS HG3 4.280 . 4.280 3.766 3.546 3.954 . 0 0 "[ . 1 . 2]" 2
917 1 55 VAL MG1 1 103 TRP HH2 4.700 . 4.700 4.335 3.571 4.715 0.015 2 0 "[ . 1 . 2]" 2
918 1 55 VAL MG2 1 103 TRP HH2 4.700 . 4.700 3.632 3.234 4.022 . 0 0 "[ . 1 . 2]" 2
919 1 77 ALA MB 1 103 TRP HH2 5.500 . 5.500 3.594 3.539 3.674 . 0 0 "[ . 1 . 2]" 2
920 1 30 PHE HZ 1 69 LYS HG3 4.540 . 4.540 4.319 3.772 4.554 0.014 11 0 "[ . 1 . 2]" 2
921 1 30 PHE HZ 1 75 LEU QD 3.330 . 3.330 1.877 1.784 2.209 . 0 0 "[ . 1 . 2]" 2
922 1 30 PHE HZ 1 69 LYS HB2 3.730 . 3.730 3.635 3.320 3.752 0.022 11 0 "[ . 1 . 2]" 2
923 1 106 LEU MD2 1 123 TYR QE 4.240 . 4.240 3.176 2.068 4.249 0.009 9 0 "[ . 1 . 2]" 2
924 1 55 VAL HB 1 103 TRP HH2 4.430 . 4.430 4.212 3.650 4.470 0.040 1 0 "[ . 1 . 2]" 2
925 1 30 PHE HZ 1 69 LYS QD 5.500 . 5.500 4.942 4.503 5.252 . 0 0 "[ . 1 . 2]" 2
926 1 30 PHE HZ 1 69 LYS HB3 3.930 . 3.930 3.246 2.927 3.549 . 0 0 "[ . 1 . 2]" 2
927 1 30 PHE HZ 1 78 VAL HB 5.080 . 5.080 4.874 4.205 5.095 0.015 13 0 "[ . 1 . 2]" 2
928 1 30 PHE HZ 1 56 GLY HA3 4.670 . 4.670 2.623 2.473 2.752 . 0 0 "[ . 1 . 2]" 2
929 1 30 PHE HZ 1 70 ALA HA 5.190 . 5.190 4.877 4.572 5.118 . 0 0 "[ . 1 . 2]" 2
930 1 29 ILE HA 1 30 PHE QD 4.560 . 4.560 3.951 3.735 4.246 . 0 0 "[ . 1 . 2]" 2
931 1 40 VAL HA 1 44 GLN HE21 5.160 . 5.160 3.897 3.353 4.315 . 0 0 "[ . 1 . 2]" 2
932 1 30 PHE HZ 1 55 VAL HA 5.500 . 5.500 5.442 5.089 5.544 0.044 11 0 "[ . 1 . 2]" 2
933 1 31 VAL H 1 32 ALA HA 5.500 . 5.500 4.935 4.698 5.289 . 0 0 "[ . 1 . 2]" 2
934 1 30 PHE QE 1 57 VAL HA 5.010 . 5.010 4.617 4.243 4.951 . 0 0 "[ . 1 . 2]" 2
935 1 30 PHE HZ 1 78 VAL HA 5.500 . 5.500 5.415 4.970 5.533 0.033 17 0 "[ . 1 . 2]" 2
936 1 30 PHE HZ 1 56 GLY HA2 5.170 . 5.170 3.761 3.509 4.132 . 0 0 "[ . 1 . 2]" 2
937 1 30 PHE HZ 1 56 GLY H 5.500 . 5.500 4.391 3.959 4.597 . 0 0 "[ . 1 . 2]" 2
938 1 30 PHE HZ 1 70 ALA H 5.500 . 5.500 5.332 5.115 5.507 0.007 15 0 "[ . 1 . 2]" 2
939 1 123 TYR HA 1 124 VAL QG 4.970 . 4.970 3.281 3.025 3.592 . 0 0 "[ . 1 . 2]" 2
940 1 25 TYR HA 1 53 GLN HA 5.500 . 5.500 4.050 3.961 4.133 . 0 0 "[ . 1 . 2]" 2
941 1 25 TYR HA 1 52 LEU HA 4.930 . 4.930 4.607 4.294 4.867 . 0 0 "[ . 1 . 2]" 2
942 1 103 TRP HA 1 120 VAL HA 4.740 . 4.740 4.355 4.075 4.616 . 0 0 "[ . 1 . 2]" 2
943 1 103 TRP HA 1 122 LYS HA 5.460 . 5.460 4.862 4.750 5.000 . 0 0 "[ . 1 . 2]" 2
944 1 102 ILE HA 1 103 TRP HA 4.750 . 4.750 4.359 4.305 4.432 . 0 0 "[ . 1 . 2]" 2
945 1 103 TRP HA 1 104 LYS HA 5.500 . 5.500 4.284 4.218 4.339 . 0 0 "[ . 1 . 2]" 2
946 1 79 GLN HA 1 103 TRP HA 5.500 . 5.500 4.623 4.545 4.735 . 0 0 "[ . 1 . 2]" 2
947 1 103 TRP HA 1 123 TYR HA 5.450 . 5.450 4.062 3.622 4.492 . 0 0 "[ . 1 . 2]" 2
948 1 79 GLN HA 1 80 LEU H 3.460 . 3.460 2.034 1.945 2.246 . 0 0 "[ . 1 . 2]" 2
949 1 25 TYR HA 1 53 GLN QG 5.080 . 5.080 3.631 2.237 4.424 . 0 0 "[ . 1 . 2]" 2
950 1 25 TYR HA 1 53 GLN HB3 3.750 . 3.750 2.277 1.840 3.479 . 0 0 "[ . 1 . 2]" 2
951 1 25 TYR HA 1 53 GLN HB2 3.750 . 3.750 3.049 1.928 3.753 0.003 13 0 "[ . 1 . 2]" 2
952 1 101 ALA MB 1 103 TRP HA 5.230 . 5.230 5.067 4.941 5.182 . 0 0 "[ . 1 . 2]" 2
953 1 24 ILE HB 1 25 TYR HA 5.370 . 5.370 4.602 4.362 4.767 . 0 0 "[ . 1 . 2]" 2
954 1 102 ILE MG 1 103 TRP HA 4.350 . 4.350 3.206 3.036 3.330 . 0 0 "[ . 1 . 2]" 2
955 1 103 TRP HA 1 122 LYS HB3 5.500 . 5.500 4.526 3.708 5.391 . 0 0 "[ . 1 . 2]" 2
956 1 103 TRP HA 1 124 VAL QG 4.530 . 4.530 4.433 4.081 4.582 0.052 11 0 "[ . 1 . 2]" 2
957 1 103 TRP HA 1 122 LYS HB2 5.500 . 5.500 4.523 3.766 5.501 0.001 4 0 "[ . 1 . 2]" 2
958 1 103 TRP HA 1 120 VAL MG2 3.890 . 3.890 3.771 3.470 3.939 0.049 6 0 "[ . 1 . 2]" 2
959 1 25 TYR HA 1 52 LEU QD 5.500 . 5.500 3.574 2.845 4.179 . 0 0 "[ . 1 . 2]" 2
960 1 103 TRP HE1 1 121 ASP H 5.500 . 5.500 5.068 4.807 5.393 . 0 0 "[ . 1 . 2]" 2
961 1 97 PRO HB3 1 99 HIS H 4.430 . 4.430 4.105 3.730 4.433 0.003 14 0 "[ . 1 . 2]" 2
962 1 20 ASP HB3 1 21 ALA H 4.050 . 4.050 2.920 2.653 3.622 . 0 0 "[ . 1 . 2]" 2
963 1 31 VAL H 1 39 ASN H 5.500 . 5.500 4.725 4.281 5.201 . 0 0 "[ . 1 . 2]" 2
964 1 30 PHE QE 1 73 LEU H 5.500 . 5.500 5.508 5.413 5.572 0.072 7 0 "[ . 1 . 2]" 2
965 1 44 GLN HE21 1 73 LEU H 5.500 . 5.500 5.483 5.024 5.598 0.098 11 0 "[ . 1 . 2]" 2
966 1 118 GLN HE21 1 119 HIS H 5.500 . 5.500 4.127 3.272 5.086 . 0 0 "[ . 1 . 2]" 2
967 1 123 TYR H 1 123 TYR QE 5.500 . 5.500 4.670 3.910 5.529 0.029 10 0 "[ . 1 . 2]" 2
968 1 122 LYS H 1 123 TYR H 5.500 . 5.500 4.293 4.209 4.374 . 0 0 "[ . 1 . 2]" 2
969 1 39 ASN HD21 1 43 ALA H 5.500 . 5.500 4.997 4.620 5.362 . 0 0 "[ . 1 . 2]" 2
970 1 12 GLY H 1 49 ALA MB 5.500 . 5.500 4.236 3.769 4.829 . 0 0 "[ . 1 . 2]" 2
971 1 33 THR HA 1 34 SER H 3.350 . 3.350 2.961 2.500 3.216 . 0 0 "[ . 1 . 2]" 2
972 1 39 ASN HB2 1 42 GLN H 5.500 . 5.500 4.589 4.065 5.417 . 0 0 "[ . 1 . 2]" 2
973 1 113 PRO QD 1 114 ALA H 5.500 . 5.500 4.886 4.702 4.988 . 0 0 "[ . 1 . 2]" 2
974 1 127 ASN QB 1 128 GLY H 5.500 . 5.500 3.366 2.460 3.955 . 0 0 "[ . 1 . 2]" 2
975 1 87 LEU H 1 90 ASP H 5.500 . 5.500 5.077 4.882 5.414 . 0 0 "[ . 1 . 2]" 2
976 1 117 PHE H 1 117 PHE QD 4.720 . 4.720 3.045 2.359 3.564 . 0 0 "[ . 1 . 2]" 2
977 1 30 PHE QD 1 69 LYS QE 4.220 . 4.220 4.188 4.044 4.250 0.030 14 0 "[ . 1 . 2]" 2
978 1 30 PHE QD 1 39 ASN HB3 4.110 . 4.110 3.770 3.390 4.128 0.018 15 0 "[ . 1 . 2]" 2
979 1 31 VAL H 1 39 ASN HB3 4.380 . 4.380 3.647 2.760 4.258 . 0 0 "[ . 1 . 2]" 2
980 1 44 GLN HE21 1 72 VAL HB 5.500 . 5.500 5.133 4.591 5.515 0.015 8 0 "[ . 1 . 2]" 2
981 1 30 PHE QE 1 78 VAL HB 5.500 . 5.500 4.700 4.129 4.999 . 0 0 "[ . 1 . 2]" 2
982 1 30 PHE HZ 1 70 ALA MB 5.500 . 5.500 5.163 4.711 5.494 . 0 0 "[ . 1 . 2]" 2
983 1 63 ILE QG 1 88 TYR QD 5.500 . 5.500 5.418 5.197 5.537 0.037 3 0 "[ . 1 . 2]" 2
984 1 39 ASN HD22 1 42 GLN HB2 4.970 . 4.970 4.726 4.440 4.995 0.025 5 0 "[ . 1 . 2]" 2
985 1 42 GLN HB2 1 42 GLN HE22 5.250 . 5.250 3.780 3.436 5.151 . 0 0 "[ . 1 . 2]" 2
986 1 61 HIS H 1 88 TYR QE 5.500 . 5.500 5.081 4.369 5.553 0.053 10 0 "[ . 1 . 2]" 2
987 1 122 LYS HG3 1 123 TYR H 5.500 . 5.500 3.650 2.110 4.989 . 0 0 "[ . 1 . 2]" 2
988 1 119 HIS H 1 120 VAL MG2 5.400 . 5.400 3.834 3.459 4.246 . 0 0 "[ . 1 . 2]" 2
989 1 122 LYS HG2 1 123 TYR H 5.500 . 5.500 3.289 2.078 4.920 . 0 0 "[ . 1 . 2]" 2
990 1 120 VAL MG1 1 123 TYR HA 5.500 . 5.500 5.293 4.928 5.507 0.007 7 0 "[ . 1 . 2]" 2
991 1 29 ILE MG 1 56 GLY HA2 3.510 . 3.510 3.574 3.530 3.621 0.111 16 0 "[ . 1 . 2]" 2
992 1 77 ALA MB 1 103 TRP HA 5.500 . 5.500 4.850 4.672 5.035 . 0 0 "[ . 1 . 2]" 2
993 1 38 VAL HA 1 39 ASN HD22 5.500 . 5.500 5.479 5.150 5.564 0.064 12 0 "[ . 1 . 2]" 2
994 1 38 VAL HA 1 42 GLN HE22 5.500 . 5.500 3.298 2.427 5.568 0.068 7 0 "[ . 1 . 2]" 2
995 1 127 ASN H 1 128 GLY H 4.790 . 4.790 3.251 2.084 4.490 . 0 0 "[ . 1 . 2]" 2
996 1 106 LEU H 1 124 VAL H 3.340 . 3.340 3.093 2.935 3.236 . 0 0 "[ . 1 . 2]" 2
997 1 12 GLY HA3 1 14 ASP H 5.500 . 5.500 4.280 4.155 4.469 . 0 0 "[ . 1 . 2]" 2
998 1 44 GLN HE22 1 73 LEU HA 5.500 . 5.500 4.143 2.500 5.561 0.061 10 0 "[ . 1 . 2]" 2
999 1 25 TYR HA 1 53 GLN HE21 5.430 . 5.430 4.345 3.303 4.994 . 0 0 "[ . 1 . 2]" 2
1000 1 48 ALA MB 1 50 ALA H 5.070 . 5.070 4.888 4.672 5.087 0.017 11 0 "[ . 1 . 2]" 2
1001 1 63 ILE MD 1 93 ARG H 5.500 . 5.500 4.512 4.355 4.649 . 0 0 "[ . 1 . 2]" 2
1002 1 63 ILE H 1 91 THR MG 5.500 . 5.500 5.444 5.189 5.539 0.039 3 0 "[ . 1 . 2]" 2
1003 1 103 TRP HE1 1 122 LYS HA 5.500 . 5.500 5.428 5.300 5.516 0.016 13 0 "[ . 1 . 2]" 2
1004 1 77 ALA HA 1 103 TRP HE1 5.500 . 5.500 4.819 4.700 4.927 . 0 0 "[ . 1 . 2]" 2
1005 1 20 ASP H 1 23 ALA H 5.340 . 5.340 4.586 4.442 4.730 . 0 0 "[ . 1 . 2]" 2
1006 1 25 TYR HA 1 54 TYR H 4.830 . 4.830 4.799 4.554 4.882 0.052 16 0 "[ . 1 . 2]" 2
1007 1 16 LYS HB2 1 20 ASP H 5.500 . 5.500 4.555 4.111 5.485 . 0 0 "[ . 1 . 2]" 2
1008 1 69 LYS H 1 69 LYS HG3 5.500 . 5.500 3.604 3.531 3.696 . 0 0 "[ . 1 . 2]" 2
1009 1 71 LYS H 1 72 VAL MG2 4.270 . 4.270 3.959 3.737 4.185 . 0 0 "[ . 1 . 2]" 2
1010 1 69 LYS HB2 1 70 ALA H 4.310 . 4.310 2.510 2.367 2.661 . 0 0 "[ . 1 . 2]" 2
1011 1 63 ILE H 1 64 ALA MB 4.380 . 4.380 4.324 4.164 4.392 0.012 5 0 "[ . 1 . 2]" 2
1012 1 66 VAL HA 1 70 ALA H 4.970 . 4.970 4.006 3.825 4.220 . 0 0 "[ . 1 . 2]" 2
1013 1 71 LYS H 1 71 LYS QE 5.500 . 5.500 4.255 3.888 5.585 0.085 20 0 "[ . 1 . 2]" 2
1014 1 86 GLN H 1 89 ILE H 5.500 . 5.500 5.211 5.078 5.409 . 0 0 "[ . 1 . 2]" 2
1015 1 89 ILE H 1 92 LEU H 5.500 . 5.500 4.845 4.754 4.925 . 0 0 "[ . 1 . 2]" 2
1016 1 39 ASN HD21 1 40 VAL H 5.430 . 5.430 3.408 3.030 4.170 . 0 0 "[ . 1 . 2]" 2
1017 1 127 ASN H 1 127 ASN HD22 5.500 . 5.500 4.934 3.984 5.601 0.101 5 0 "[ . 1 . 2]" 2
1018 1 26 GLY H 1 27 GLY H 5.500 . 5.500 4.347 4.065 4.499 . 0 0 "[ . 1 . 2]" 2
1019 1 43 ALA H 1 44 GLN H 2.840 . 2.840 2.696 2.575 2.875 0.035 1 0 "[ . 1 . 2]" 2
1020 1 29 ILE H 1 38 VAL H 3.740 . 3.740 2.957 2.616 3.207 . 0 0 "[ . 1 . 2]" 2
1021 1 36 ARG H 1 36 ARG QD 5.020 . 5.020 4.210 3.379 4.916 . 0 0 "[ . 1 . 2]" 2
1022 1 56 GLY H 1 77 ALA MB 4.160 . 4.160 4.139 4.053 4.187 0.027 2 0 "[ . 1 . 2]" 2
1023 1 36 ARG H 1 36 ARG QG 4.670 . 4.670 2.948 2.036 4.247 . 0 0 "[ . 1 . 2]" 2
1024 1 85 GLU H 1 85 GLU HG3 5.220 . 5.220 5.152 4.598 5.231 0.011 15 0 "[ . 1 . 2]" 2
1025 1 85 GLU H 1 85 GLU HG2 5.220 . 5.220 4.692 4.602 5.219 . 0 0 "[ . 1 . 2]" 2
1026 1 15 ALA H 1 50 ALA MB 5.500 . 5.500 4.786 4.459 5.179 . 0 0 "[ . 1 . 2]" 2
1027 1 52 LEU HB2 1 53 GLN H 3.020 . 3.020 2.395 2.047 2.828 . 0 0 "[ . 1 . 2]" 2
1028 1 55 VAL HB 1 77 ALA H 5.500 . 5.500 3.797 3.434 4.101 . 0 0 "[ . 1 . 2]" 2
1029 1 116 GLU HB2 1 117 PHE QE 5.500 . 5.500 3.805 2.855 5.527 0.027 3 0 "[ . 1 . 2]" 2
1030 1 89 ILE MG 1 117 PHE QD 4.690 . 4.690 4.032 3.636 4.416 . 0 0 "[ . 1 . 2]" 2
1031 1 63 ILE HA 1 65 ASP H 3.710 . 3.710 3.715 3.587 3.754 0.044 12 0 "[ . 1 . 2]" 2
1032 1 103 TRP HA 1 103 TRP HE3 5.500 . 5.500 5.132 5.052 5.241 . 0 0 "[ . 1 . 2]" 2
1033 1 89 ILE H 1 117 PHE QE 5.500 . 5.500 5.405 5.052 5.528 0.028 6 0 "[ . 1 . 2]" 2
1034 1 16 LYS H 1 18 ALA H 5.500 . 5.500 4.401 4.232 4.620 . 0 0 "[ . 1 . 2]" 2
1035 1 39 ASN H 1 41 GLU H 5.500 . 5.500 4.439 3.780 4.673 . 0 0 "[ . 1 . 2]" 2
1036 1 61 HIS H 1 61 HIS HE1 5.500 . 5.500 5.060 4.226 5.531 0.031 1 0 "[ . 1 . 2]" 2
1037 1 89 ILE HB 1 117 PHE QD 3.790 . 3.790 3.463 2.799 3.792 0.002 1 0 "[ . 1 . 2]" 2
1038 1 32 ALA MB 1 33 THR H 4.260 . 4.260 3.326 2.811 3.552 . 0 0 "[ . 1 . 2]" 2
1039 1 14 ASP H 1 16 LYS QG 4.460 . 4.460 4.198 3.775 4.506 0.046 2 0 "[ . 1 . 2]" 2
1040 1 48 ALA H 1 49 ALA MB 4.640 . 4.640 3.883 3.697 4.006 . 0 0 "[ . 1 . 2]" 2
1041 1 33 THR H 1 42 GLN HE22 4.480 . 4.480 3.200 2.264 3.769 . 0 0 "[ . 1 . 2]" 2
1042 1 63 ILE QG 1 88 TYR QE 4.680 . 4.680 3.958 3.656 4.099 . 0 0 "[ . 1 . 2]" 2
1043 1 88 TYR QD 1 92 LEU HG 5.500 . 5.500 5.357 4.840 5.509 0.009 10 0 "[ . 1 . 2]" 2
1044 1 30 PHE QD 1 39 ASN HB2 5.500 . 5.500 3.549 2.793 3.896 . 0 0 "[ . 1 . 2]" 2
1045 1 44 GLN HA 1 44 GLN HE21 5.170 . 5.170 2.827 2.107 3.450 . 0 0 "[ . 1 . 2]" 2
1046 1 25 TYR QE 1 103 TRP HH2 5.500 . 5.500 4.580 3.396 5.272 . 0 0 "[ . 1 . 2]" 2
1047 1 29 ILE H 1 31 VAL H 4.950 . 4.950 4.751 4.348 4.957 0.007 8 0 "[ . 1 . 2]" 2
1048 1 42 GLN HE21 1 43 ALA H 5.500 . 5.500 4.822 4.468 5.539 0.039 17 0 "[ . 1 . 2]" 2
1049 1 88 TYR QE 1 92 LEU HG 4.980 . 4.980 4.596 4.171 4.806 . 0 0 "[ . 1 . 2]" 2
1050 1 77 ALA MB 1 101 ALA MB 3.190 . 3.190 2.361 2.070 2.531 . 0 0 "[ . 1 . 2]" 2
1051 1 78 VAL H 1 103 TRP HE1 5.500 . 5.500 5.528 5.503 5.558 0.058 1 0 "[ . 1 . 2]" 2
1052 1 77 ALA MB 1 124 VAL QG 4.890 . 4.890 4.545 4.366 4.737 . 0 0 "[ . 1 . 2]" 2
1053 1 25 TYR HA 1 25 TYR QD 3.680 . 3.680 3.488 3.399 3.626 . 0 0 "[ . 1 . 2]" 2
1054 1 30 PHE H 1 30 PHE QD 3.160 . 3.160 2.499 2.329 2.762 . 0 0 "[ . 1 . 2]" 2
1055 1 99 HIS HB3 1 99 HIS HD2 3.730 . 3.730 3.404 2.972 3.805 0.075 18 0 "[ . 1 . 2]" 2
1056 1 47 MET HA 1 52 LEU H 4.680 . 4.680 4.187 3.550 4.686 0.006 11 0 "[ . 1 . 2]" 2
1057 1 31 VAL H 1 38 VAL HA 5.500 . 5.500 4.508 4.240 4.967 . 0 0 "[ . 1 . 2]" 2
1058 1 77 ALA HA 1 103 TRP HZ2 5.500 . 5.500 5.493 5.411 5.529 0.029 17 0 "[ . 1 . 2]" 2
1059 1 77 ALA MB 1 103 TRP HE3 3.780 . 3.780 3.801 3.744 3.846 0.066 5 0 "[ . 1 . 2]" 2
1060 1 99 HIS HB2 1 100 VAL H 5.060 . 5.060 3.298 2.865 4.386 . 0 0 "[ . 1 . 2]" 2
1061 1 25 TYR HA 1 54 TYR HA 5.500 . 5.500 4.460 4.266 4.613 . 0 0 "[ . 1 . 2]" 2
1062 1 117 PHE HA 1 117 PHE QD 3.950 . 3.950 2.640 2.371 2.873 . 0 0 "[ . 1 . 2]" 2
1063 1 103 TRP H 1 122 LYS H 5.500 . 5.500 5.020 4.915 5.194 . 0 0 "[ . 1 . 2]" 2
1064 1 77 ALA MB 1 122 LYS H 5.500 . 5.500 5.420 5.197 5.547 0.047 11 0 "[ . 1 . 2]" 2
1065 1 105 ALA HA 1 123 TYR HA 5.500 . 5.500 4.918 4.478 5.451 . 0 0 "[ . 1 . 2]" 2
1066 1 25 TYR QD 1 54 TYR HA 4.410 . 4.410 4.313 3.742 4.484 0.074 8 0 "[ . 1 . 2]" 2
1067 1 25 TYR HA 1 53 GLN HE22 5.430 . 5.430 5.304 4.510 5.448 0.018 2 0 "[ . 1 . 2]" 2
1068 1 102 ILE HB 1 103 TRP HA 5.500 . 5.500 4.527 4.204 4.754 . 0 0 "[ . 1 . 2]" 2
1069 1 104 LYS H 1 121 ASP H 5.500 . 5.500 4.976 4.622 5.435 . 0 0 "[ . 1 . 2]" 2
1070 1 79 GLN H 1 79 GLN HB3 3.320 . 3.320 3.412 3.395 3.438 0.118 20 0 "[ . 1 . 2]" 2
1071 1 77 ALA MB 1 79 GLN H 5.450 . 5.450 4.949 4.792 5.113 . 0 0 "[ . 1 . 2]" 2
1072 1 77 ALA MB 1 103 TRP H 5.500 . 5.500 3.667 3.493 3.842 . 0 0 "[ . 1 . 2]" 2
1073 1 28 LEU HB2 1 29 ILE H 4.290 . 4.290 2.645 2.362 3.037 . 0 0 "[ . 1 . 2]" 2
1074 1 66 VAL HA 1 66 VAL MG2 3.370 . 3.370 2.434 2.310 2.534 . 0 0 "[ . 1 . 2]" 2
1075 1 39 ASN H 1 39 ASN HD22 4.790 . 4.790 3.841 3.655 3.965 . 0 0 "[ . 1 . 2]" 2
1076 1 39 ASN H 1 42 GLN HE22 5.020 . 5.020 3.073 2.582 4.857 . 0 0 "[ . 1 . 2]" 2
1077 1 79 GLN HA 1 103 TRP HB3 4.590 . 4.590 4.585 4.522 4.635 0.045 15 0 "[ . 1 . 2]" 2
1078 1 54 TYR HA 1 55 VAL HB 4.890 . 4.890 4.355 4.014 4.669 . 0 0 "[ . 1 . 2]" 2
1079 1 24 ILE MG 1 25 TYR HA 5.100 . 5.100 4.372 4.223 4.647 . 0 0 "[ . 1 . 2]" 2
1080 1 77 ALA MB 1 103 TRP HZ3 5.310 . 5.310 3.983 3.922 4.093 . 0 0 "[ . 1 . 2]" 2
1081 1 55 VAL MG1 1 103 TRP HZ3 5.500 . 5.500 3.440 2.733 3.776 . 0 0 "[ . 1 . 2]" 2
1082 1 103 TRP HZ3 1 124 VAL QG 4.450 . 4.450 2.766 2.521 3.017 . 0 0 "[ . 1 . 2]" 2
1083 1 56 GLY HA2 1 75 LEU QD 4.260 . 4.260 3.743 3.367 4.047 . 0 0 "[ . 1 . 2]" 2
1084 1 50 ALA MB 1 51 PRO HA 5.120 . 5.120 4.504 4.427 4.591 . 0 0 "[ . 1 . 2]" 2
1085 1 38 VAL HA 1 42 GLN HB2 4.540 . 4.540 3.371 2.774 3.592 . 0 0 "[ . 1 . 2]" 2
1086 1 112 LEU HA 1 113 PRO QD 2.960 . 2.960 1.939 1.848 2.040 . 0 0 "[ . 1 . 2]" 2
1087 1 77 ALA HA 1 100 VAL HA 4.300 . 4.300 3.722 3.512 3.931 . 0 0 "[ . 1 . 2]" 2
1088 1 63 ILE QG 1 95 ALA HA 5.130 . 5.130 5.116 4.987 5.170 0.040 17 0 "[ . 1 . 2]" 2
1089 1 75 LEU HA 1 75 LEU QD 2.610 . 2.610 2.056 1.973 2.149 . 0 0 "[ . 1 . 2]" 2
1090 1 56 GLY HA3 1 78 VAL HB 4.090 . 4.090 4.119 4.096 4.138 0.048 6 0 "[ . 1 . 2]" 2
1091 1 55 VAL HA 1 77 ALA MB 4.060 . 4.060 3.705 3.446 4.049 . 0 0 "[ . 1 . 2]" 2
1092 1 77 ALA MB 1 100 VAL HA 5.470 . 5.470 4.771 4.531 4.899 . 0 0 "[ . 1 . 2]" 2
1093 1 77 ALA MB 1 103 TRP HB2 5.500 . 5.500 3.790 3.677 3.876 . 0 0 "[ . 1 . 2]" 2
1094 1 89 ILE MD 1 89 ILE MG 3.380 . 3.380 3.147 2.699 3.262 . 0 0 "[ . 1 . 2]" 2
1095 1 63 ILE QG 1 91 THR MG 3.770 . 3.770 3.702 3.624 3.783 0.013 14 0 "[ . 1 . 2]" 2
1096 1 52 LEU HB3 1 52 LEU HG 2.890 . 2.890 2.653 2.591 2.704 . 0 0 "[ . 1 . 2]" 2
1097 1 63 ILE HB 1 63 ILE QG 2.660 . 2.660 2.417 2.367 2.450 . 0 0 "[ . 1 . 2]" 2
1098 1 75 LEU HB2 1 75 LEU QD 2.470 . 2.470 2.258 2.089 2.525 0.055 4 0 "[ . 1 . 2]" 2
1099 1 38 VAL MG1 1 43 ALA MB 3.020 . 3.020 1.942 1.843 2.027 . 0 0 "[ . 1 . 2]" 2
1100 1 104 LYS QG 1 120 VAL MG2 4.180 . 4.180 3.728 2.738 4.219 0.039 18 0 "[ . 1 . 2]" 2
1101 1 63 ILE MD 1 92 LEU MD1 4.950 . 4.950 2.240 2.117 2.382 . 0 0 "[ . 1 . 2]" 2
1102 1 92 LEU HB2 1 92 LEU MD2 2.470 . 2.470 2.289 2.233 2.331 . 0 0 "[ . 1 . 2]" 2
1103 1 87 LEU QB 1 87 LEU MD1 2.800 . 2.800 2.088 2.062 2.124 . 0 0 "[ . 1 . 2]" 2
1104 1 87 LEU QB 1 87 LEU MD2 2.800 . 2.800 2.241 2.197 2.307 . 0 0 "[ . 1 . 2]" 2
1105 1 43 ALA MB 1 73 LEU QD 2.630 . 2.630 1.847 1.710 2.099 . 0 0 "[ . 1 . 2]" 2
1106 1 125 LEU HB2 1 125 LEU QD 2.870 . 2.870 2.199 2.107 2.304 . 0 0 "[ . 1 . 2]" 2
1107 1 24 ILE MD 1 24 ILE MG 2.210 . 2.210 1.959 1.866 2.052 . 0 0 "[ . 1 . 2]" 2
1108 1 52 LEU HB2 1 52 LEU QD 2.900 . 2.900 2.137 2.105 2.159 . 0 0 "[ . 1 . 2]" 2
1109 1 52 LEU HB3 1 52 LEU QD 2.500 . 2.500 2.230 2.188 2.264 . 0 0 "[ . 1 . 2]" 2
1110 1 63 ILE HB 1 63 ILE MD 3.450 . 3.450 2.343 2.291 2.389 . 0 0 "[ . 1 . 2]" 2
1111 1 63 ILE MD 1 95 ALA MB 2.500 . 2.500 2.024 1.943 2.144 . 0 0 "[ . 1 . 2]" 2
1112 1 69 LYS QE 1 69 LYS HG3 2.510 . 2.510 2.485 2.310 2.512 0.002 20 0 "[ . 1 . 2]" 2
1113 1 63 ILE MD 1 91 THR HA 3.970 . 3.970 3.997 3.975 4.026 0.056 14 0 "[ . 1 . 2]" 2
1114 1 43 ALA HA 1 46 VAL HB 3.320 . 3.320 2.442 1.804 3.348 0.028 2 0 "[ . 1 . 2]" 2
1115 1 89 ILE HA 1 92 LEU HB2 4.200 . 4.200 2.923 2.654 3.077 . 0 0 "[ . 1 . 2]" 2
1116 1 40 VAL HA 1 40 VAL MG2 3.610 . 3.610 2.387 2.247 2.595 . 0 0 "[ . 1 . 2]" 2
1117 1 40 VAL HA 1 73 LEU QD 3.790 . 3.790 2.143 1.725 2.626 . 0 0 "[ . 1 . 2]" 2
1118 1 12 GLY HA2 1 15 ALA MB 3.080 . 3.080 2.522 2.230 2.821 . 0 0 "[ . 1 . 2]" 2
1119 1 93 ARG HA 1 102 ILE MD 2.790 . 2.790 2.759 2.371 2.858 0.068 6 0 "[ . 1 . 2]" 2
1120 1 108 VAL HA 1 108 VAL MG2 3.390 . 3.390 3.218 3.198 3.236 . 0 0 "[ . 1 . 2]" 2
1121 1 13 GLN HA 1 13 GLN QG 3.270 . 3.270 2.802 2.472 3.372 0.102 2 0 "[ . 1 . 2]" 2
1122 1 92 LEU HB2 1 93 ARG HA 5.170 . 5.170 4.521 4.422 4.617 . 0 0 "[ . 1 . 2]" 2
1123 1 15 ALA MB 1 16 LYS HA 5.110 . 5.110 3.812 3.709 3.956 . 0 0 "[ . 1 . 2]" 2
1124 1 87 LEU QB 1 88 TYR HA 5.500 . 5.500 4.000 3.717 4.142 . 0 0 "[ . 1 . 2]" 2
1125 1 54 TYR HB3 1 75 LEU QD 2.880 . 2.880 2.457 2.209 2.882 0.002 18 0 "[ . 1 . 2]" 2
1126 1 89 ILE HA 1 89 ILE MD 4.250 . 4.250 2.949 2.504 3.706 . 0 0 "[ . 1 . 2]" 2
1127 1 63 ILE MD 1 89 ILE HA 5.500 . 5.500 5.530 5.505 5.556 0.056 9 0 "[ . 1 . 2]" 2
1128 1 86 GLN HA 1 89 ILE MD 4.620 . 4.620 2.632 2.254 3.641 . 0 0 "[ . 1 . 2]" 2
1129 1 93 ARG HD2 1 102 ILE MD 4.980 . 4.980 2.313 1.803 4.378 . 0 0 "[ . 1 . 2]" 2
1130 1 63 ILE MD 1 91 THR HB 3.090 . 3.090 3.092 2.966 3.123 0.033 3 0 "[ . 1 . 2]" 2
1131 1 38 VAL MG1 1 43 ALA HA 4.510 . 4.510 2.544 2.232 2.833 . 0 0 "[ . 1 . 2]" 2
1132 1 116 GLU HA 1 116 GLU HB3 2.550 . 2.550 2.437 2.222 2.560 0.010 3 0 "[ . 1 . 2]" 2
1133 1 12 GLY HA2 1 46 VAL HA 4.560 . 4.560 4.119 3.274 4.582 0.022 15 0 "[ . 1 . 2]" 2
1134 1 71 LYS QG 1 74 SER QB 5.500 . 5.500 5.174 4.549 5.530 0.030 19 0 "[ . 1 . 2]" 2
1135 1 62 ASP HA 1 63 ILE HA 4.470 . 4.470 4.326 4.225 4.441 . 0 0 "[ . 1 . 2]" 2
1136 1 63 ILE HA 1 63 ILE MG 3.330 . 3.330 3.218 3.193 3.240 . 0 0 "[ . 1 . 2]" 2
1137 1 66 VAL HA 1 69 LYS HB2 4.610 . 4.610 3.333 2.955 3.737 . 0 0 "[ . 1 . 2]" 2
1138 1 110 GLU HA 1 110 GLU QG 3.560 . 3.560 2.828 2.340 3.574 0.014 15 0 "[ . 1 . 2]" 2
1139 1 85 GLU HA 1 85 GLU HG2 3.560 . 3.560 2.492 2.296 3.633 0.073 4 0 "[ . 1 . 2]" 2
1140 1 129 GLN HA 1 129 GLN QG 3.760 . 3.760 2.798 2.431 3.527 . 0 0 "[ . 1 . 2]" 2
1141 1 111 THR HA 1 111 THR MG 3.340 . 3.340 2.636 2.227 3.259 . 0 0 "[ . 1 . 2]" 2
1142 1 87 LEU HA 1 87 LEU HG 2.850 . 2.850 2.891 2.868 2.926 0.076 20 0 "[ . 1 . 2]" 2
1143 1 50 ALA HA 1 51 PRO QD 3.450 . 3.450 1.986 1.920 2.037 . 0 0 "[ . 1 . 2]" 2
1144 1 87 LEU HA 1 87 LEU QB 2.590 . 2.590 2.321 2.261 2.353 . 0 0 "[ . 1 . 2]" 2
1145 1 41 GLU HA 1 41 GLU HG2 3.350 . 3.350 2.957 2.367 3.452 0.102 4 0 "[ . 1 . 2]" 2
1146 1 41 GLU HA 1 41 GLU HB3 2.920 . 2.920 2.491 2.449 2.551 . 0 0 "[ . 1 . 2]" 2
1147 1 45 GLU HA 1 45 GLU QG 3.730 . 3.730 2.794 2.407 3.387 . 0 0 "[ . 1 . 2]" 2
1148 1 36 ARG HA 1 36 ARG QG 3.510 . 3.510 2.850 2.361 3.373 . 0 0 "[ . 1 . 2]" 2
1149 1 16 LYS HA 1 16 LYS QG 3.630 . 3.630 3.101 2.377 3.571 . 0 0 "[ . 1 . 2]" 2
1150 1 15 ALA HA 1 18 ALA MB 4.050 . 4.050 3.615 3.021 4.069 0.019 12 0 "[ . 1 . 2]" 2
1151 1 16 LYS HA 1 50 ALA MB 3.050 . 3.050 2.033 1.903 2.296 . 0 0 "[ . 1 . 2]" 2
1152 1 19 TYR HA 1 52 LEU QD 4.060 . 4.060 2.580 2.415 2.750 . 0 0 "[ . 1 . 2]" 2
1153 1 67 VAL MG2 1 96 LEU HA 4.130 . 4.130 3.224 2.849 3.690 . 0 0 "[ . 1 . 2]" 2
1154 1 10 THR HA 1 10 THR MG 3.410 . 3.410 3.135 2.257 3.243 . 0 0 "[ . 1 . 2]" 2
1155 1 6 VAL HA 1 6 VAL QG 2.500 . 2.500 2.245 2.127 2.358 . 0 0 "[ . 1 . 2]" 2
1156 1 73 LEU HA 1 73 LEU QD 2.090 . 2.090 1.994 1.833 2.104 0.014 4 0 "[ . 1 . 2]" 2
1157 1 19 TYR HA 1 52 LEU HB3 3.170 . 3.170 2.567 2.252 2.864 . 0 0 "[ . 1 . 2]" 2
1158 1 11 ARG HA 1 11 ARG QG 2.660 . 2.660 2.526 2.359 2.740 0.080 13 0 "[ . 1 . 2]" 2
1159 1 77 ALA HA 1 101 ALA MB 3.740 . 3.740 2.692 2.538 2.857 . 0 0 "[ . 1 . 2]" 2
1160 1 105 ALA HA 1 124 VAL QG 2.610 . 2.610 2.311 2.009 2.623 0.013 19 0 "[ . 1 . 2]" 2
1161 1 31 VAL HA 1 31 VAL MG1 3.550 . 3.550 2.419 2.311 3.187 . 0 0 "[ . 1 . 2]" 2
1162 1 100 VAL HA 1 100 VAL MG2 3.310 . 3.310 2.400 2.321 2.508 . 0 0 "[ . 1 . 2]" 2
1163 1 29 ILE HA 1 29 ILE MD 4.200 . 4.200 4.060 3.465 4.155 . 0 0 "[ . 1 . 2]" 2
1164 1 63 ILE QG 1 92 LEU HA 2.870 . 2.870 2.840 2.685 2.907 0.037 7 0 "[ . 1 . 2]" 2
1165 1 44 GLN HA 1 73 LEU QD 3.890 . 3.890 2.660 2.202 3.168 . 0 0 "[ . 1 . 2]" 2
1166 1 69 LYS HA 1 72 VAL MG2 3.330 . 3.330 3.363 3.347 3.384 0.054 12 0 "[ . 1 . 2]" 2
1167 1 92 LEU HA 1 92 LEU MD1 2.130 . 2.130 1.892 1.837 1.963 . 0 0 "[ . 1 . 2]" 2
1168 1 72 VAL HA 1 72 VAL MG1 2.420 . 2.420 2.409 2.387 2.424 0.004 7 0 "[ . 1 . 2]" 2
1169 1 70 ALA HA 1 75 LEU QD 2.040 . 2.040 2.035 1.899 2.059 0.019 7 0 "[ . 1 . 2]" 2
1170 1 29 ILE HA 1 29 ILE MG 2.320 . 2.320 2.001 1.876 2.195 . 0 0 "[ . 1 . 2]" 2
1171 1 29 ILE HA 1 29 ILE HB 2.900 . 2.900 2.647 2.513 2.972 0.072 9 0 "[ . 1 . 2]" 2
1172 1 40 VAL HA 1 43 ALA MB 3.000 . 3.000 2.305 1.983 2.853 . 0 0 "[ . 1 . 2]" 2
1173 1 69 LYS HA 1 69 LYS HB3 2.690 . 2.690 2.424 2.357 2.454 . 0 0 "[ . 1 . 2]" 2
1174 1 70 ALA HA 1 75 LEU HB2 2.890 . 2.890 2.489 2.155 2.718 . 0 0 "[ . 1 . 2]" 2
1175 1 75 LEU HA 1 75 LEU HG 3.600 . 3.600 3.190 2.905 3.685 0.085 17 0 "[ . 1 . 2]" 2
1176 1 112 LEU HA 1 112 LEU QD 2.030 . 2.030 2.024 1.964 2.047 0.017 19 0 "[ . 1 . 2]" 2
1177 1 69 LYS HA 1 69 LYS QD 3.390 . 3.390 2.125 1.992 2.479 . 0 0 "[ . 1 . 2]" 2
1178 1 47 MET HA 1 47 MET QB 2.240 . 2.240 2.184 2.173 2.203 . 0 0 "[ . 1 . 2]" 2
1179 1 112 LEU QD 1 113 PRO QD 2.950 . 2.950 2.601 2.042 2.993 0.043 4 0 "[ . 1 . 2]" 2
1180 1 89 ILE HA 1 89 ILE MG 2.730 . 2.730 2.542 2.469 2.652 . 0 0 "[ . 1 . 2]" 2
1181 1 67 VAL HA 1 67 VAL MG1 3.280 . 3.280 2.448 2.382 2.512 . 0 0 "[ . 1 . 2]" 2
1182 1 19 TYR HB3 1 50 ALA MB 2.680 . 2.680 1.929 1.865 2.045 . 0 0 "[ . 1 . 2]" 2
1183 1 63 ILE MD 1 92 LEU HA 2.230 . 2.230 1.998 1.925 2.107 . 0 0 "[ . 1 . 2]" 2
1184 1 30 PHE HA 1 39 ASN HB3 3.550 . 3.550 2.894 2.600 3.483 . 0 0 "[ . 1 . 2]" 2
1185 1 42 GLN HA 1 42 GLN HG3 4.060 . 4.060 2.817 2.474 3.905 . 0 0 "[ . 1 . 2]" 2
1186 1 29 ILE HA 1 30 PHE HA 4.990 . 4.990 4.156 4.021 4.398 . 0 0 "[ . 1 . 2]" 2
1187 1 39 ASN HA 1 40 VAL HA 5.360 . 5.360 4.102 4.001 4.284 . 0 0 "[ . 1 . 2]" 2
1188 1 51 PRO HA 1 52 LEU HG 4.820 . 4.820 4.205 3.991 4.373 . 0 0 "[ . 1 . 2]" 2
1189 1 119 HIS HA 1 120 VAL MG2 4.760 . 4.760 4.531 4.155 4.778 0.018 6 0 "[ . 1 . 2]" 2
1190 1 120 VAL MG2 1 123 TYR HA 5.010 . 5.010 4.034 3.583 4.366 . 0 0 "[ . 1 . 2]" 2
1191 1 55 VAL MG2 1 103 TRP HZ3 5.500 . 5.500 2.769 2.440 2.980 . 0 0 "[ . 1 . 2]" 2
1192 1 38 VAL MG1 1 40 VAL HA 5.500 . 5.500 4.328 4.061 4.802 . 0 0 "[ . 1 . 2]" 2
1193 1 89 ILE HA 1 92 LEU MD2 3.480 . 3.480 1.920 1.820 1.981 . 0 0 "[ . 1 . 2]" 2
1194 1 89 ILE HA 1 92 LEU MD1 4.630 . 4.630 4.604 4.469 4.663 0.033 11 0 "[ . 1 . 2]" 2
1195 1 89 ILE HA 1 92 LEU HB3 5.310 . 5.310 4.549 4.247 4.709 . 0 0 "[ . 1 . 2]" 2
1196 1 65 ASP QB 1 66 VAL MG1 5.490 . 5.490 4.915 4.010 5.386 . 0 0 "[ . 1 . 2]" 2
1197 1 65 ASP QB 1 66 VAL MG2 5.490 . 5.490 3.795 2.985 5.170 . 0 0 "[ . 1 . 2]" 2
1198 1 19 TYR HB2 1 52 LEU HB3 3.640 . 3.640 2.479 2.220 2.963 . 0 0 "[ . 1 . 2]" 2
1199 1 39 ASN HB2 1 40 VAL HB 4.650 . 4.650 4.318 3.670 4.665 0.015 16 0 "[ . 1 . 2]" 2
1200 1 66 VAL HA 1 66 VAL MG1 3.370 . 3.370 2.619 2.317 3.229 . 0 0 "[ . 1 . 2]" 2
1201 1 4 ASN QB 1 21 ALA MB 3.970 . 3.970 2.335 2.026 2.952 . 0 0 "[ . 1 . 2]" 2
1202 1 18 ALA MB 1 52 LEU HB2 4.870 . 4.870 4.635 4.178 4.890 0.020 18 0 "[ . 1 . 2]" 2
1203 1 63 ILE MD 1 91 THR MG 2.930 . 2.930 1.798 1.728 1.857 . 0 0 "[ . 1 . 2]" 2
1204 1 24 ILE HB 1 24 ILE HG13 2.950 . 2.950 2.500 2.464 2.553 . 0 0 "[ . 1 . 2]" 2
1205 1 5 LYS QD 1 5 LYS QG 2.480 . 2.480 2.056 1.997 2.100 . 0 0 "[ . 1 . 2]" 2
1206 1 69 LYS QD 1 69 LYS HG2 2.370 . 2.370 2.362 2.332 2.379 0.009 5 0 "[ . 1 . 2]" 2
1207 1 125 LEU HB3 1 125 LEU QD 2.870 . 2.870 2.239 2.110 2.505 . 0 0 "[ . 1 . 2]" 2
1208 1 63 ILE QG 1 92 LEU MD1 2.880 . 2.880 1.816 1.754 1.890 . 0 0 "[ . 1 . 2]" 2
1209 1 50 ALA MB 1 52 LEU QD 2.890 . 2.890 2.021 1.877 2.193 . 0 0 "[ . 1 . 2]" 2
1210 1 63 ILE MD 1 92 LEU MD2 3.430 . 3.430 2.638 2.470 2.982 . 0 0 "[ . 1 . 2]" 2
1211 1 63 ILE MD 1 94 GLU QB 4.060 . 4.060 3.770 3.474 4.027 . 0 0 "[ . 1 . 2]" 2
1212 1 38 VAL MG1 1 42 GLN HB2 2.270 . 2.270 2.111 1.924 2.275 0.005 6 0 "[ . 1 . 2]" 2
1213 1 24 ILE HA 1 24 ILE MG 2.450 . 2.450 2.321 2.258 2.388 . 0 0 "[ . 1 . 2]" 2
1214 1 100 VAL HA 1 100 VAL MG1 3.310 . 3.310 2.375 2.241 3.192 . 0 0 "[ . 1 . 2]" 2
1215 1 19 TYR HB2 1 50 ALA MB 3.690 . 3.690 2.332 2.183 2.519 . 0 0 "[ . 1 . 2]" 2
1216 1 19 TYR HB2 1 52 LEU HG 4.150 . 4.150 2.861 2.606 3.068 . 0 0 "[ . 1 . 2]" 2
1217 1 53 GLN QG 1 76 ALA MB 3.830 . 3.830 2.475 1.830 3.454 . 0 0 "[ . 1 . 2]" 2
1218 1 124 VAL QG 1 125 LEU HA 5.500 . 5.500 3.987 3.609 4.224 . 0 0 "[ . 1 . 2]" 2
1219 1 112 LEU HA 1 113 PRO QG 5.500 . 5.500 3.812 3.707 3.932 . 0 0 "[ . 1 . 2]" 2
1220 1 44 GLN H 1 44 GLN HE21 3.080 . 3.080 2.940 2.753 3.090 0.010 2 0 "[ . 1 . 2]" 2
1221 1 13 GLN QG 1 16 LYS QG 5.500 . 5.500 4.461 3.065 5.507 0.007 5 0 "[ . 1 . 2]" 2
1222 1 63 ILE QG 1 95 ALA MB 3.240 . 3.240 2.412 2.274 2.525 . 0 0 "[ . 1 . 2]" 2
1223 1 63 ILE HA 1 63 ILE QG 2.340 . 2.340 2.368 2.347 2.380 0.040 3 0 "[ . 1 . 2]" 2
1224 1 19 TYR HB3 1 52 LEU QD 2.250 . 2.250 2.314 2.289 2.338 0.088 11 0 "[ . 1 . 2]" 2
1225 1 118 GLN H 1 119 HIS H 4.950 . 4.950 4.452 4.314 4.579 . 0 0 "[ . 1 . 2]" 2
1226 1 116 GLU H 1 118 GLN H 5.040 . 5.040 4.834 3.900 5.081 0.041 3 0 "[ . 1 . 2]" 2
1227 1 117 PHE H 1 118 GLN H 4.100 . 4.100 3.976 3.739 4.126 0.026 9 0 "[ . 1 . 2]" 2
1228 1 11 ARG HA 1 14 ASP H 4.420 . 4.420 4.294 4.117 4.466 0.046 2 0 "[ . 1 . 2]" 2
1229 1 11 ARG HA 1 15 ALA H 5.500 . 5.500 5.079 4.941 5.302 . 0 0 "[ . 1 . 2]" 2
1230 1 56 GLY H 1 57 VAL H 4.470 . 4.470 4.360 4.188 4.460 . 0 0 "[ . 1 . 2]" 2
1231 1 109 GLY H 1 110 GLU H 4.380 . 4.380 3.849 2.821 4.387 0.007 11 0 "[ . 1 . 2]" 2
1232 1 110 GLU H 1 110 GLU QB 2.720 . 2.720 2.473 2.313 2.735 0.015 6 0 "[ . 1 . 2]" 2
1233 1 104 LYS H 1 124 VAL H 3.810 . 3.810 3.685 3.513 3.824 0.014 20 0 "[ . 1 . 2]" 2
1234 1 84 GLU H 1 88 TYR QD 4.630 . 4.630 4.325 3.184 4.668 0.038 9 0 "[ . 1 . 2]" 2
1235 1 85 GLU H 1 88 TYR QD 4.330 . 4.330 3.441 2.910 3.598 . 0 0 "[ . 1 . 2]" 2
1236 1 85 GLU H 1 86 GLN H 4.490 . 4.490 4.214 4.036 4.394 . 0 0 "[ . 1 . 2]" 2
1237 1 87 LEU H 1 89 ILE H 4.740 . 4.740 4.233 4.066 4.400 . 0 0 "[ . 1 . 2]" 2
1238 1 4 ASN H 1 5 LYS H 2.260 . 2.260 2.211 1.943 2.307 0.047 2 0 "[ . 1 . 2]" 2
1239 1 115 ARG H 1 116 GLU H 4.400 . 4.400 4.161 3.632 4.345 . 0 0 "[ . 1 . 2]" 2
1240 1 88 TYR H 1 89 ILE H 3.550 . 3.550 2.688 2.484 2.855 . 0 0 "[ . 1 . 2]" 2
1241 1 19 TYR QD 1 23 ALA H 4.430 . 4.430 3.897 3.239 4.467 0.037 1 0 "[ . 1 . 2]" 2
1242 1 28 LEU H 1 29 ILE H 4.260 . 4.260 4.292 4.274 4.312 0.052 3 0 "[ . 1 . 2]" 2
1243 1 13 GLN H 1 13 GLN QG 3.860 . 3.860 3.005 1.879 3.561 . 0 0 "[ . 1 . 2]" 2
1244 1 103 TRP HA 1 123 TYR H 5.370 . 5.370 5.305 5.156 5.404 0.034 4 0 "[ . 1 . 2]" 2
1245 1 26 GLY H 1 53 GLN H 4.220 . 4.220 4.174 4.010 4.250 0.030 11 0 "[ . 1 . 2]" 2
1246 1 26 GLY H 1 55 VAL H 4.290 . 4.290 4.019 3.414 4.307 0.017 6 0 "[ . 1 . 2]" 2
1247 1 91 THR HA 1 94 GLU QB 3.590 . 3.590 3.436 3.148 3.605 0.015 12 0 "[ . 1 . 2]" 2
1248 1 91 THR HA 1 91 THR MG 2.740 . 2.740 2.395 2.363 2.440 . 0 0 "[ . 1 . 2]" 2
1249 1 88 TYR QD 1 89 ILE HA 4.630 . 4.630 4.246 4.116 4.363 . 0 0 "[ . 1 . 2]" 2
1250 1 89 ILE HA 1 102 ILE MG 5.110 . 5.110 4.254 3.470 5.116 0.006 9 0 "[ . 1 . 2]" 2
1251 1 46 VAL HA 1 46 VAL MG1 3.320 . 3.320 2.578 2.287 3.209 . 0 0 "[ . 1 . 2]" 2
1252 1 46 VAL HA 1 46 VAL MG2 3.320 . 3.320 2.408 2.211 2.557 . 0 0 "[ . 1 . 2]" 2
1253 1 67 VAL HA 1 70 ALA MB 3.080 . 3.080 2.463 2.092 2.932 . 0 0 "[ . 1 . 2]" 2
1254 1 67 VAL HA 1 67 VAL MG2 3.280 . 3.280 2.394 2.297 2.448 . 0 0 "[ . 1 . 2]" 2
1255 1 63 ILE HA 1 66 VAL HB 4.000 . 4.000 3.380 2.843 4.040 0.040 14 0 "[ . 1 . 2]" 2
1256 1 72 VAL HA 1 72 VAL MG2 3.000 . 3.000 2.405 2.357 2.441 . 0 0 "[ . 1 . 2]" 2
1257 1 107 SER HA 1 108 VAL HA 4.460 . 4.460 4.298 4.192 4.388 . 0 0 "[ . 1 . 2]" 2
1258 1 8 GLY QA 1 35 PRO HA 4.730 . 4.730 3.777 2.736 4.460 . 0 0 "[ . 1 . 2]" 2
1259 1 31 VAL HA 1 31 VAL MG2 3.550 . 3.550 2.411 2.274 2.474 . 0 0 "[ . 1 . 2]" 2
1260 1 76 ALA MB 1 100 VAL HA 5.280 . 5.280 4.125 3.859 4.426 . 0 0 "[ . 1 . 2]" 2
1261 1 100 VAL HA 1 101 ALA MB 5.500 . 5.500 3.877 3.765 3.936 . 0 0 "[ . 1 . 2]" 2
1262 1 29 ILE HA 1 57 VAL HB 5.500 . 5.500 4.208 3.667 5.603 0.103 7 0 "[ . 1 . 2]" 2
1263 1 102 ILE MG 1 120 VAL HA 3.340 . 3.340 3.093 2.766 3.376 0.036 11 0 "[ . 1 . 2]" 2
1264 1 69 LYS HA 1 69 LYS HG2 3.790 . 3.790 3.292 3.199 3.568 . 0 0 "[ . 1 . 2]" 2
1265 1 69 LYS HA 1 72 VAL MG1 4.270 . 4.270 4.267 4.141 4.311 0.041 8 0 "[ . 1 . 2]" 2
1266 1 43 ALA MB 1 44 GLN HA 5.040 . 5.040 3.874 3.656 4.006 . 0 0 "[ . 1 . 2]" 2
1267 1 44 GLN HA 1 47 MET QB 5.220 . 5.220 3.859 3.216 4.239 . 0 0 "[ . 1 . 2]" 2
1268 1 13 GLN HA 1 16 LYS QG 3.880 . 3.880 2.324 1.856 2.975 . 0 0 "[ . 1 . 2]" 2
1269 1 54 TYR HA 1 75 LEU QD 4.010 . 4.010 3.970 3.780 4.024 0.014 16 0 "[ . 1 . 2]" 2
1270 1 38 VAL HA 1 38 VAL MG2 2.950 . 2.950 2.172 2.138 2.208 . 0 0 "[ . 1 . 2]" 2
1271 1 92 LEU HA 1 92 LEU HG 4.210 . 4.210 3.697 3.628 3.737 . 0 0 "[ . 1 . 2]" 2
1272 1 92 LEU HA 1 95 ALA MB 4.420 . 4.420 3.359 3.186 3.522 . 0 0 "[ . 1 . 2]" 2
1273 1 92 LEU HA 1 92 LEU MD2 3.790 . 3.790 2.728 2.604 3.044 . 0 0 "[ . 1 . 2]" 2
1274 1 68 ASP HA 1 71 LYS QB 4.080 . 4.080 2.993 2.254 3.464 . 0 0 "[ . 1 . 2]" 2
1275 1 87 LEU HA 1 87 LEU MD1 4.280 . 4.280 3.839 3.770 3.877 . 0 0 "[ . 1 . 2]" 2
1276 1 89 ILE MG 1 90 ASP HA 4.790 . 4.790 3.299 3.098 3.437 . 0 0 "[ . 1 . 2]" 2
1277 1 14 ASP HA 1 17 ALA MB 3.790 . 3.790 3.296 2.537 3.805 0.015 9 0 "[ . 1 . 2]" 2
1278 1 30 PHE QD 1 39 ASN HA 4.670 . 4.670 2.349 2.060 2.580 . 0 0 "[ . 1 . 2]" 2
1279 1 103 TRP HA 1 120 VAL MG1 4.490 . 4.490 3.826 3.548 4.108 . 0 0 "[ . 1 . 2]" 2
1280 1 56 GLY HA3 1 75 LEU QD 4.290 . 4.290 2.804 2.633 3.011 . 0 0 "[ . 1 . 2]" 2
1281 1 85 GLU HA 1 85 GLU HG3 3.560 . 3.560 3.482 2.615 3.632 0.072 9 0 "[ . 1 . 2]" 2
1282 1 64 ALA HA 1 67 VAL HB 4.350 . 4.350 2.566 2.228 2.937 . 0 0 "[ . 1 . 2]" 2
1283 1 11 ARG HD2 1 11 ARG QG 2.790 . 2.790 2.303 2.174 2.395 . 0 0 "[ . 1 . 2]" 2
1284 1 11 ARG HD3 1 11 ARG QG 2.790 . 2.790 2.290 2.164 2.376 . 0 0 "[ . 1 . 2]" 2
1285 1 42 GLN HA 1 42 GLN HG2 4.060 . 4.060 2.944 2.709 3.725 . 0 0 "[ . 1 . 2]" 2
1286 1 38 VAL MG2 1 42 GLN HB3 3.550 . 3.550 2.373 2.123 2.585 . 0 0 "[ . 1 . 2]" 2
1287 1 9 LEU HG 1 14 ASP HB3 5.500 . 5.500 3.201 2.663 4.198 . 0 0 "[ . 1 . 2]" 2
1288 1 9 LEU HG 1 14 ASP HB2 5.500 . 5.500 4.580 2.863 5.518 0.018 9 0 "[ . 1 . 2]" 2
1289 1 15 ALA MB 1 46 VAL HA 4.610 . 4.610 4.002 3.459 4.356 . 0 0 "[ . 1 . 2]" 2
1290 1 15 ALA MB 1 52 LEU QD 3.530 . 3.530 3.373 2.574 3.591 0.061 14 0 "[ . 1 . 2]" 2
1291 1 16 LYS HA 1 19 TYR HB3 4.480 . 4.480 2.367 2.147 2.612 . 0 0 "[ . 1 . 2]" 2
1292 1 69 LYS HA 1 72 VAL HB 3.240 . 3.240 2.841 2.675 2.919 . 0 0 "[ . 1 . 2]" 2
1293 1 104 LYS HA 1 120 VAL MG1 4.430 . 4.430 3.632 3.231 4.194 . 0 0 "[ . 1 . 2]" 2
1294 1 76 ALA HA 1 100 VAL HA 4.150 . 4.150 2.706 2.333 3.125 . 0 0 "[ . 1 . 2]" 2
1295 1 67 VAL MG1 1 96 LEU HA 4.130 . 4.130 3.468 2.867 3.788 . 0 0 "[ . 1 . 2]" 2
1296 1 94 GLU QB 1 95 ALA HA 4.210 . 4.210 3.892 3.738 4.094 . 0 0 "[ . 1 . 2]" 2
1297 1 67 VAL HA 1 96 LEU HA 4.760 . 4.760 4.212 3.693 4.770 0.010 14 0 "[ . 1 . 2]" 2
1298 1 28 LEU HA 1 28 LEU MD1 4.190 . 4.190 3.584 3.479 3.831 . 0 0 "[ . 1 . 2]" 2
1299 1 28 LEU HA 1 28 LEU MD2 4.190 . 4.190 3.703 3.636 4.024 . 0 0 "[ . 1 . 2]" 2
1300 1 62 ASP HA 1 62 ASP HB2 3.020 . 3.020 2.693 2.433 3.026 0.006 20 0 "[ . 1 . 2]" 2
1301 1 62 ASP HA 1 62 ASP HB3 3.020 . 3.020 2.842 2.477 3.019 . 0 0 "[ . 1 . 2]" 2
1302 1 86 GLN HA 1 89 ILE HB 4.720 . 4.720 4.241 3.917 4.513 . 0 0 "[ . 1 . 2]" 2
1303 1 63 ILE HB 1 92 LEU MD2 3.690 . 3.690 3.444 3.161 3.601 . 0 0 "[ . 1 . 2]" 2
1304 1 41 GLU HA 1 41 GLU HG3 3.350 . 3.350 2.642 2.194 3.149 . 0 0 "[ . 1 . 2]" 2
1305 1 94 GLU HA 1 94 GLU HG2 3.490 . 3.490 2.575 2.494 2.820 . 0 0 "[ . 1 . 2]" 2
1306 1 94 GLU HA 1 94 GLU HG3 3.490 . 3.490 3.211 3.094 3.567 0.077 3 0 "[ . 1 . 2]" 2
1307 1 53 GLN HA 1 53 GLN QG 3.080 . 3.080 2.401 2.172 2.881 . 0 0 "[ . 1 . 2]" 2
1308 1 94 GLU HA 1 94 GLU QB 2.730 . 2.730 2.308 2.289 2.358 . 0 0 "[ . 1 . 2]" 2
1309 1 19 TYR HA 1 52 LEU HG 4.370 . 4.370 4.345 4.161 4.391 0.021 9 0 "[ . 1 . 2]" 2
1310 1 33 THR HA 1 33 THR MG 2.520 . 2.520 2.299 2.242 2.372 . 0 0 "[ . 1 . 2]" 2
1311 1 12 GLY HA2 1 49 ALA MB 3.530 . 3.530 2.404 2.057 2.921 . 0 0 "[ . 1 . 2]" 2
1312 1 46 VAL HA 1 49 ALA MB 3.830 . 3.830 2.488 2.155 2.811 . 0 0 "[ . 1 . 2]" 2
1313 1 46 VAL HB 1 49 ALA MB 5.110 . 5.110 4.753 4.209 5.113 0.003 1 0 "[ . 1 . 2]" 2
1314 1 101 ALA MB 1 103 TRP HD1 4.440 . 4.440 3.239 3.076 3.509 . 0 0 "[ . 1 . 2]" 2
1315 1 94 GLU QB 1 95 ALA MB 3.530 . 3.530 3.454 3.233 3.541 0.011 15 0 "[ . 1 . 2]" 2
1316 1 63 ILE HA 1 95 ALA MB 5.500 . 5.500 5.051 4.911 5.155 . 0 0 "[ . 1 . 2]" 2
1317 1 67 VAL HA 1 95 ALA MB 5.500 . 5.500 4.793 4.496 5.042 . 0 0 "[ . 1 . 2]" 2
1318 1 103 TRP HB3 1 124 VAL QG 4.640 . 4.640 2.583 2.295 2.800 . 0 0 "[ . 1 . 2]" 2
1319 1 102 ILE MG 1 120 VAL MG2 4.890 . 4.890 4.233 3.847 4.586 . 0 0 "[ . 1 . 2]" 2
1320 1 70 ALA MB 1 75 LEU QD 3.590 . 3.590 2.624 2.113 3.310 . 0 0 "[ . 1 . 2]" 2
1321 1 70 ALA MB 1 75 LEU HB2 4.610 . 4.610 2.952 2.348 3.312 . 0 0 "[ . 1 . 2]" 2
1322 1 70 ALA MB 1 100 VAL HB 4.830 . 4.830 3.492 3.027 3.995 . 0 0 "[ . 1 . 2]" 2
1323 1 6 VAL QG 1 18 ALA MB 3.560 . 3.560 2.146 1.809 2.656 . 0 0 "[ . 1 . 2]" 2
1324 1 43 ALA MB 1 73 LEU HG 3.770 . 3.770 3.012 2.025 3.778 0.008 17 0 "[ . 1 . 2]" 2
1325 1 63 ILE MD 1 92 LEU HB2 4.780 . 4.780 4.236 4.117 4.321 . 0 0 "[ . 1 . 2]" 2
1326 1 63 ILE HA 1 63 ILE MD 4.550 . 4.550 3.700 3.602 3.771 . 0 0 "[ . 1 . 2]" 2
1327 1 63 ILE MD 1 88 TYR QE 4.780 . 4.780 3.353 3.128 3.686 . 0 0 "[ . 1 . 2]" 2
1328 1 93 ARG HD3 1 102 ILE MD 4.980 . 4.980 2.928 2.266 4.159 . 0 0 "[ . 1 . 2]" 2
1329 1 92 LEU HG 1 102 ILE MD 4.920 . 4.920 3.497 2.960 4.083 . 0 0 "[ . 1 . 2]" 2
1330 1 89 ILE MG 1 102 ILE MD 4.620 . 4.620 3.111 2.208 4.649 0.029 11 0 "[ . 1 . 2]" 2
1331 1 24 ILE MD 1 25 TYR HB3 5.500 . 5.500 5.366 4.777 5.549 0.049 2 0 "[ . 1 . 2]" 2
1332 1 24 ILE HA 1 24 ILE MD 4.390 . 4.390 3.877 3.815 3.948 . 0 0 "[ . 1 . 2]" 2
1333 1 24 ILE MD 1 25 TYR QE 5.500 . 5.500 5.140 3.691 5.542 0.042 9 0 "[ . 1 . 2]" 2
1334 1 87 LEU HA 1 87 LEU MD2 4.280 . 4.280 2.085 1.957 2.212 . 0 0 "[ . 1 . 2]" 2
1335 1 108 VAL HA 1 108 VAL MG1 3.390 . 3.390 2.300 2.256 2.358 . 0 0 "[ . 1 . 2]" 2
1336 1 89 ILE MG 1 102 ILE MG 3.810 . 3.810 2.457 1.984 3.297 . 0 0 "[ . 1 . 2]" 2
1337 1 86 GLN HA 1 89 ILE MG 5.500 . 5.500 5.389 5.145 5.515 0.015 9 0 "[ . 1 . 2]" 2
1338 1 89 ILE MG 1 120 VAL HA 5.500 . 5.500 4.012 2.740 5.114 . 0 0 "[ . 1 . 2]" 2
1339 1 88 TYR QD 1 89 ILE MG 5.500 . 5.500 5.536 5.482 5.579 0.079 6 0 "[ . 1 . 2]" 2
1340 1 24 ILE MG 1 53 GLN QG 5.500 . 5.500 5.292 5.016 5.558 0.058 11 0 "[ . 1 . 2]" 2
1341 1 63 ILE MG 1 65 ASP QB 5.460 . 5.460 5.458 5.307 5.509 0.049 19 0 "[ . 1 . 2]" 2
1342 1 3 GLU QB 1 4 ASN H 3.290 . 3.290 2.603 1.676 3.312 0.022 18 0 "[ . 1 . 2]" 2
1343 1 3 GLU QB 1 5 LYS H 4.250 . 4.250 2.864 2.402 3.898 . 0 0 "[ . 1 . 2]" 2
1344 1 5 LYS QB 1 27 GLY H 5.110 . 5.110 2.990 1.960 4.186 . 0 0 "[ . 1 . 2]" 2
1345 1 8 GLY H 1 28 LEU QB 4.050 . 4.050 3.346 2.818 4.002 . 0 0 "[ . 1 . 2]" 2
1346 1 9 LEU HA 1 9 LEU QD 3.040 . 3.040 2.119 1.916 3.134 0.094 11 0 "[ . 1 . 2]" 2
1347 1 9 LEU QB 1 10 THR H 4.020 . 4.020 3.351 2.459 3.739 . 0 0 "[ . 1 . 2]" 2
1348 1 9 LEU QB 1 14 ASP QB 5.180 . 5.180 4.269 3.285 4.596 . 0 0 "[ . 1 . 2]" 2
1349 1 9 LEU QD 1 10 THR H 2.940 . 2.940 2.225 1.717 2.854 . 0 0 "[ . 1 . 2]" 2
1350 1 9 LEU QD 1 11 ARG H 5.440 . 5.440 2.443 1.731 3.246 . 0 0 "[ . 1 . 2]" 2
1351 1 9 LEU QD 1 14 ASP H 3.950 . 3.950 3.782 3.333 3.967 0.017 11 0 "[ . 1 . 2]" 2
1352 1 9 LEU QD 1 14 ASP QB 3.960 . 3.960 1.974 1.700 2.809 . 0 0 "[ . 1 . 2]" 2
1353 1 9 LEU QD 1 15 ALA HA 3.890 . 3.890 2.602 1.992 3.906 0.016 14 0 "[ . 1 . 2]" 2
1354 1 9 LEU QD 1 15 ALA MB 3.530 . 3.530 2.499 1.838 3.333 . 0 0 "[ . 1 . 2]" 2
1355 1 10 THR H 1 14 ASP QB 4.520 . 4.520 4.582 4.526 4.622 0.102 9 0 "[ . 1 . 2]" 2
1356 1 11 ARG H 1 11 ARG QB 3.530 . 3.530 2.490 2.212 2.680 . 0 0 "[ . 1 . 2]" 2
1357 1 11 ARG H 1 14 ASP QB 3.790 . 3.790 3.517 3.296 3.769 . 0 0 "[ . 1 . 2]" 2
1358 1 11 ARG HA 1 11 ARG QB 2.530 . 2.530 2.365 2.323 2.436 . 0 0 "[ . 1 . 2]" 2
1359 1 11 ARG HA 1 11 ARG QD 4.550 . 4.550 3.968 2.019 4.279 . 0 0 "[ . 1 . 2]" 2
1360 1 11 ARG QB 1 11 ARG QD 3.100 . 3.100 2.207 2.009 2.835 . 0 0 "[ . 1 . 2]" 2
1361 1 11 ARG QB 1 13 GLN H 5.100 . 5.100 3.300 2.840 3.798 . 0 0 "[ . 1 . 2]" 2
1362 1 11 ARG QB 1 13 GLN QE 5.180 . 5.180 3.435 2.047 4.127 . 0 0 "[ . 1 . 2]" 2
1363 1 11 ARG QB 1 14 ASP H 2.860 . 2.860 2.646 2.204 2.872 0.012 2 0 "[ . 1 . 2]" 2
1364 1 11 ARG QB 1 15 ALA H 5.340 . 5.340 3.584 3.166 4.095 . 0 0 "[ . 1 . 2]" 2
1365 1 11 ARG QD 1 11 ARG QG 2.400 . 2.400 2.042 1.972 2.095 . 0 0 "[ . 1 . 2]" 2
1366 1 11 ARG QG 1 14 ASP QB 4.770 . 4.770 3.594 3.328 4.005 . 0 0 "[ . 1 . 2]" 2
1367 1 12 GLY H 1 46 VAL QG 5.440 . 5.440 4.828 4.183 5.453 0.013 4 0 "[ . 1 . 2]" 2
1368 1 12 GLY HA2 1 46 VAL QG 4.620 . 4.620 3.544 2.708 4.139 . 0 0 "[ . 1 . 2]" 2
1369 1 13 GLN HA 1 13 GLN QB 2.580 . 2.580 2.333 2.124 2.445 . 0 0 "[ . 1 . 2]" 2
1370 1 13 GLN HA 1 16 LYS QB 4.250 . 4.250 3.538 2.987 4.162 . 0 0 "[ . 1 . 2]" 2
1371 1 13 GLN QB 1 14 ASP H 3.920 . 3.920 2.989 2.450 3.724 . 0 0 "[ . 1 . 2]" 2
1372 1 13 GLN QG 1 16 LYS QE 5.340 . 5.340 3.907 2.666 5.353 0.013 20 0 "[ . 1 . 2]" 2
1373 1 13 GLN QE 1 14 ASP H 4.410 . 4.410 3.675 2.681 3.950 . 0 0 "[ . 1 . 2]" 2
1374 1 13 GLN QE 1 14 ASP QB 4.880 . 4.880 4.812 3.896 5.039 0.159 19 0 "[ . 1 . 2]" 2
1375 1 14 ASP QB 1 15 ALA H 3.310 . 3.310 2.519 2.157 2.884 . 0 0 "[ . 1 . 2]" 2
1376 1 14 ASP QB 1 16 LYS H 5.330 . 5.330 4.631 4.399 4.879 . 0 0 "[ . 1 . 2]" 2
1377 1 16 LYS H 1 16 LYS QE 5.340 . 5.340 4.388 3.520 4.997 . 0 0 "[ . 1 . 2]" 2
1378 1 16 LYS QB 1 16 LYS QG 2.410 . 2.410 2.070 2.021 2.090 . 0 0 "[ . 1 . 2]" 2
1379 1 16 LYS QB 1 17 ALA H 4.120 . 4.120 3.473 2.792 3.801 . 0 0 "[ . 1 . 2]" 2
1380 1 16 LYS QB 1 19 TYR H 5.340 . 5.340 4.494 4.220 4.767 . 0 0 "[ . 1 . 2]" 2
1381 1 16 LYS QB 1 19 TYR QD 3.950 . 3.950 2.362 1.956 2.928 . 0 0 "[ . 1 . 2]" 2
1382 1 16 LYS QB 1 20 ASP H 4.730 . 4.730 4.146 3.952 4.486 . 0 0 "[ . 1 . 2]" 2
1383 1 16 LYS QE 1 17 ALA H 5.340 . 5.340 4.926 4.160 5.374 0.034 9 0 "[ . 1 . 2]" 2
1384 1 17 ALA HA 1 20 ASP QB 2.960 . 2.960 2.265 1.972 2.606 . 0 0 "[ . 1 . 2]" 2
1385 1 17 ALA MB 1 20 ASP QB 4.320 . 4.320 3.608 3.353 3.988 . 0 0 "[ . 1 . 2]" 2
1386 1 18 ALA H 1 20 ASP QB 4.630 . 4.630 4.391 4.087 4.662 0.032 1 0 "[ . 1 . 2]" 2
1387 1 20 ASP H 1 20 ASP QB 2.750 . 2.750 2.228 2.155 2.328 . 0 0 "[ . 1 . 2]" 2
1388 1 20 ASP QB 1 21 ALA H 3.330 . 3.330 2.815 2.610 3.055 . 0 0 "[ . 1 . 2]" 2
1389 1 20 ASP QB 1 22 GLY H 5.340 . 5.340 4.693 4.550 4.824 . 0 0 "[ . 1 . 2]" 2
1390 1 21 ALA H 1 22 GLY QA 4.960 . 4.960 4.562 4.461 4.621 . 0 0 "[ . 1 . 2]" 2
1391 1 25 TYR H 1 53 GLN QB 5.340 . 5.340 4.078 3.949 4.250 . 0 0 "[ . 1 . 2]" 2
1392 1 25 TYR HA 1 53 GLN QE 4.600 . 4.600 4.129 3.225 4.617 0.017 12 0 "[ . 1 . 2]" 2
1393 1 25 TYR HB2 1 53 GLN QB 4.610 . 4.610 2.376 1.978 3.046 . 0 0 "[ . 1 . 2]" 2
1394 1 25 TYR HB2 1 53 GLN QE 3.060 . 3.060 2.794 2.281 3.129 0.069 9 0 "[ . 1 . 2]" 2
1395 1 25 TYR HB3 1 53 GLN QE 4.480 . 4.480 3.729 3.098 4.343 . 0 0 "[ . 1 . 2]" 2
1396 1 25 TYR QD 1 53 GLN QE 5.120 . 5.120 3.774 3.293 4.132 . 0 0 "[ . 1 . 2]" 2
1397 1 25 TYR QD 1 55 VAL QG 3.850 . 3.850 2.493 2.129 2.975 . 0 0 "[ . 1 . 2]" 2
1398 1 25 TYR QE 1 55 VAL QG 4.240 . 4.240 2.205 1.828 2.972 . 0 0 "[ . 1 . 2]" 2
1399 1 26 GLY H 1 53 GLN QB 3.860 . 3.860 3.629 3.191 3.893 0.033 12 0 "[ . 1 . 2]" 2
1400 1 26 GLY H 1 55 VAL QG 5.230 . 5.230 3.669 2.928 4.099 . 0 0 "[ . 1 . 2]" 2
1401 1 27 GLY H 1 28 LEU QD 3.980 . 3.980 3.517 2.937 4.016 0.036 14 0 "[ . 1 . 2]" 2
1402 1 27 GLY HA2 1 28 LEU QD 3.980 . 3.980 3.333 2.892 3.988 0.008 14 0 "[ . 1 . 2]" 2
1403 1 28 LEU H 1 28 LEU QB 3.220 . 3.220 3.082 2.877 3.192 . 0 0 "[ . 1 . 2]" 2
1404 1 28 LEU HA 1 29 ILE QG 5.340 . 5.340 3.368 2.964 4.416 . 0 0 "[ . 1 . 2]" 2
1405 1 28 LEU HA 1 55 VAL QG 5.170 . 5.170 5.019 4.336 5.218 0.048 2 0 "[ . 1 . 2]" 2
1406 1 28 LEU QB 1 29 ILE H 3.750 . 3.750 2.590 2.329 2.926 . 0 0 "[ . 1 . 2]" 2
1407 1 28 LEU QB 1 38 VAL H 4.180 . 4.180 2.301 1.842 3.058 . 0 0 "[ . 1 . 2]" 2
1408 1 28 LEU QD 1 29 ILE H 3.890 . 3.890 3.497 3.296 3.840 . 0 0 "[ . 1 . 2]" 2
1409 1 28 LEU QD 1 38 VAL H 3.180 . 3.180 3.192 3.010 3.242 0.062 11 0 "[ . 1 . 2]" 2
1410 1 28 LEU QD 1 54 TYR HA 5.440 . 5.440 3.010 2.417 3.493 . 0 0 "[ . 1 . 2]" 2
1411 1 28 LEU QD 1 55 VAL H 3.210 . 3.210 2.836 2.059 3.255 0.045 14 0 "[ . 1 . 2]" 2
1412 1 29 ILE H 1 29 ILE QG 4.010 . 4.010 2.239 1.969 2.784 . 0 0 "[ . 1 . 2]" 2
1413 1 29 ILE HA 1 30 PHE QB 5.340 . 5.340 4.587 4.424 4.822 . 0 0 "[ . 1 . 2]" 2
1414 1 29 ILE HA 1 55 VAL QG 5.440 . 5.440 4.969 4.027 5.484 0.044 8 0 "[ . 1 . 2]" 2
1415 1 29 ILE HA 1 57 VAL QG 5.040 . 5.040 4.006 3.349 4.453 . 0 0 "[ . 1 . 2]" 2
1416 1 29 ILE QG 1 30 PHE H 5.340 . 5.340 4.033 3.885 4.286 . 0 0 "[ . 1 . 2]" 2
1417 1 29 ILE QG 1 31 VAL H 5.340 . 5.340 4.286 3.694 5.391 0.051 1 0 "[ . 1 . 2]" 2
1418 1 29 ILE QG 1 57 VAL H 5.340 . 5.340 4.841 3.117 5.356 0.016 20 0 "[ . 1 . 2]" 2
1419 1 30 PHE H 1 30 PHE QB 3.150 . 3.150 2.659 2.568 2.756 . 0 0 "[ . 1 . 2]" 2
1420 1 30 PHE QB 1 31 VAL H 4.390 . 4.390 3.829 3.752 3.930 . 0 0 "[ . 1 . 2]" 2
1421 1 30 PHE QD 1 40 VAL QG 3.910 . 3.910 3.512 2.348 3.966 0.056 11 0 "[ . 1 . 2]" 2
1422 1 30 PHE QD 1 58 PHE QB 5.340 . 5.340 2.305 1.896 3.202 . 0 0 "[ . 1 . 2]" 2
1423 1 30 PHE QE 1 66 VAL QG 5.440 . 5.440 4.424 3.701 4.934 . 0 0 "[ . 1 . 2]" 2
1424 1 30 PHE HZ 1 66 VAL QG 5.360 . 5.360 4.971 4.149 5.379 0.019 12 0 "[ . 1 . 2]" 2
1425 1 31 VAL H 1 31 VAL QG 2.710 . 2.710 2.594 2.002 2.740 0.030 8 0 "[ . 1 . 2]" 2
1426 1 31 VAL QG 1 32 ALA HA 4.260 . 4.260 4.139 3.432 4.253 . 0 0 "[ . 1 . 2]" 2
1427 1 31 VAL QG 1 33 THR H 4.520 . 4.520 4.439 2.532 4.569 0.049 8 0 "[ . 1 . 2]" 2
1428 1 31 VAL QG 1 34 SER H 3.360 . 3.360 3.219 1.580 3.389 0.029 1 0 "[ . 1 . 2]" 2
1429 1 31 VAL QG 1 36 ARG H 5.440 . 5.440 4.922 3.740 5.344 . 0 0 "[ . 1 . 2]" 2
1430 1 31 VAL QG 1 37 CYS H 5.050 . 5.050 4.538 2.912 4.883 . 0 0 "[ . 1 . 2]" 2
1431 1 34 SER H 1 37 CYS QB 5.180 . 5.180 3.940 3.090 4.749 . 0 0 "[ . 1 . 2]" 2
1432 1 35 PRO QB 1 36 ARG H 3.740 . 3.740 3.716 3.560 3.778 0.038 15 0 "[ . 1 . 2]" 2
1433 1 35 PRO QB 1 37 CYS H 5.340 . 5.340 4.859 4.517 4.997 . 0 0 "[ . 1 . 2]" 2
1434 1 35 PRO QG 1 36 ARG H 3.760 . 3.760 3.414 3.123 3.676 . 0 0 "[ . 1 . 2]" 2
1435 1 35 PRO QG 1 37 CYS H 5.270 . 5.270 5.158 4.961 5.276 0.006 3 0 "[ . 1 . 2]" 2
1436 1 36 ARG H 1 37 CYS QB 5.340 . 5.340 3.978 3.655 4.492 . 0 0 "[ . 1 . 2]" 2
1437 1 36 ARG QB 1 37 CYS H 4.160 . 4.160 3.510 2.849 3.922 . 0 0 "[ . 1 . 2]" 2
1438 1 37 CYS QB 1 38 VAL H 4.000 . 4.000 2.882 2.304 3.331 . 0 0 "[ . 1 . 2]" 2
1439 1 38 VAL HA 1 46 VAL QG 5.440 . 5.440 5.384 5.060 5.517 0.077 2 0 "[ . 1 . 2]" 2
1440 1 38 VAL MG2 1 42 GLN QG 3.360 . 3.360 3.166 1.964 3.394 0.034 14 0 "[ . 1 . 2]" 2
1441 1 39 ASN H 1 42 GLN QG 4.250 . 4.250 3.703 1.855 4.169 . 0 0 "[ . 1 . 2]" 2
1442 1 39 ASN HA 1 40 VAL QG 4.490 . 4.490 3.985 3.572 4.351 . 0 0 "[ . 1 . 2]" 2
1443 1 39 ASN HB2 1 40 VAL QG 4.420 . 4.420 3.109 2.639 3.669 . 0 0 "[ . 1 . 2]" 2
1444 1 39 ASN HB3 1 40 VAL QG 4.940 . 4.940 4.451 3.947 4.834 . 0 0 "[ . 1 . 2]" 2
1445 1 39 ASN HD21 1 42 GLN QG 4.890 . 4.890 4.359 3.156 4.891 0.001 3 0 "[ . 1 . 2]" 2
1446 1 39 ASN HD22 1 42 GLN QG 5.340 . 5.340 3.497 2.416 4.607 . 0 0 "[ . 1 . 2]" 2
1447 1 40 VAL H 1 40 VAL QG 2.780 . 2.780 2.094 1.800 2.493 . 0 0 "[ . 1 . 2]" 2
1448 1 40 VAL HA 1 40 VAL QG 3.050 . 3.050 2.292 2.091 2.485 . 0 0 "[ . 1 . 2]" 2
1449 1 40 VAL QG 1 41 GLU H 3.410 . 3.410 2.586 2.226 3.331 . 0 0 "[ . 1 . 2]" 2
1450 1 40 VAL QG 1 41 GLU HA 4.350 . 4.350 3.169 2.936 3.553 . 0 0 "[ . 1 . 2]" 2
1451 1 40 VAL QG 1 42 GLN H 5.440 . 5.440 4.565 4.262 4.984 . 0 0 "[ . 1 . 2]" 2
1452 1 40 VAL QG 1 43 ALA H 5.400 . 5.400 4.507 4.343 4.814 . 0 0 "[ . 1 . 2]" 2
1453 1 40 VAL QG 1 44 GLN H 5.440 . 5.440 4.080 3.806 4.362 . 0 0 "[ . 1 . 2]" 2
1454 1 40 VAL QG 1 44 GLN QB 4.020 . 4.020 3.503 3.321 3.883 . 0 0 "[ . 1 . 2]" 2
1455 1 40 VAL QG 1 44 GLN QG 5.280 . 5.280 4.177 3.622 4.509 . 0 0 "[ . 1 . 2]" 2
1456 1 40 VAL QG 1 44 GLN HE21 2.850 . 2.850 2.519 2.220 2.803 . 0 0 "[ . 1 . 2]" 2
1457 1 40 VAL QG 1 44 GLN HE22 3.300 . 3.300 2.059 1.755 2.655 . 0 0 "[ . 1 . 2]" 2
1458 1 40 VAL QG 1 69 LYS HG3 5.080 . 5.080 4.046 3.323 4.636 . 0 0 "[ . 1 . 2]" 2
1459 1 40 VAL QG 1 69 LYS QD 4.430 . 4.430 2.120 1.705 2.690 . 0 0 "[ . 1 . 2]" 2
1460 1 40 VAL QG 1 69 LYS QE 2.960 . 2.960 2.544 1.996 3.032 0.072 6 0 "[ . 1 . 2]" 2
1461 1 41 GLU H 1 41 GLU QG 3.620 . 3.620 2.554 2.068 3.187 . 0 0 "[ . 1 . 2]" 2
1462 1 41 GLU H 1 42 GLN QG 5.330 . 5.330 4.672 4.140 5.384 0.054 8 0 "[ . 1 . 2]" 2
1463 1 41 GLU HA 1 41 GLU QG 2.910 . 2.910 2.317 2.171 2.460 . 0 0 "[ . 1 . 2]" 2
1464 1 41 GLU HA 1 44 GLN QB 4.250 . 4.250 3.357 2.640 4.345 0.095 10 0 "[ . 1 . 2]" 2
1465 1 41 GLU HA 1 44 GLN QG 5.280 . 5.280 4.115 2.464 5.283 0.003 8 0 "[ . 1 . 2]" 2
1466 1 42 GLN H 1 42 GLN QG 3.090 . 3.090 2.361 2.010 3.173 0.083 8 0 "[ . 1 . 2]" 2
1467 1 42 GLN H 1 46 VAL QG 5.440 . 5.440 5.163 4.827 5.481 0.041 2 0 "[ . 1 . 2]" 2
1468 1 42 GLN HA 1 42 GLN QG 3.530 . 3.530 2.535 2.391 3.232 . 0 0 "[ . 1 . 2]" 2
1469 1 42 GLN HA 1 46 VAL QG 5.220 . 5.220 4.047 3.496 4.993 . 0 0 "[ . 1 . 2]" 2
1470 1 42 GLN HB2 1 46 VAL QG 4.650 . 4.650 3.933 3.332 4.533 . 0 0 "[ . 1 . 2]" 2
1471 1 42 GLN HE22 1 42 GLN QG 3.200 . 3.200 3.176 3.063 3.208 0.008 11 0 "[ . 1 . 2]" 2
1472 1 42 GLN QG 1 43 ALA H 4.350 . 4.350 4.031 3.387 4.257 . 0 0 "[ . 1 . 2]" 2
1473 1 43 ALA H 1 46 VAL QG 4.350 . 4.350 3.868 3.711 4.066 . 0 0 "[ . 1 . 2]" 2
1474 1 43 ALA HA 1 46 VAL QG 2.440 . 2.440 2.243 1.665 2.486 0.046 15 0 "[ . 1 . 2]" 2
1475 1 44 GLN H 1 44 GLN QB 2.580 . 2.580 2.212 2.050 2.642 0.062 14 0 "[ . 1 . 2]" 2
1476 1 44 GLN H 1 46 VAL QG 5.260 . 5.260 4.329 4.038 4.587 . 0 0 "[ . 1 . 2]" 2
1477 1 44 GLN HA 1 44 GLN QB 2.630 . 2.630 2.363 2.008 2.507 . 0 0 "[ . 1 . 2]" 2
1478 1 44 GLN HA 1 44 GLN QG 3.520 . 3.520 2.633 2.241 3.334 . 0 0 "[ . 1 . 2]" 2
1479 1 44 GLN HA 1 46 VAL QG 5.440 . 5.440 5.165 4.625 5.454 0.014 8 0 "[ . 1 . 2]" 2
1480 1 44 GLN QB 1 44 GLN QG 2.360 . 2.360 2.006 1.963 2.025 . 0 0 "[ . 1 . 2]" 2
1481 1 44 GLN QB 1 44 GLN HE21 3.240 . 3.240 1.732 1.508 1.985 . 0 0 "[ . 1 . 2]" 2
1482 1 44 GLN QB 1 44 GLN HE22 3.080 . 3.080 3.051 2.789 3.141 0.061 13 0 "[ . 1 . 2]" 2
1483 1 44 GLN QB 1 45 GLU H 3.140 . 3.140 2.811 2.488 3.227 0.087 1 0 "[ . 1 . 2]" 2
1484 1 44 GLN QB 1 73 LEU QD 4.290 . 4.290 3.285 2.471 4.146 . 0 0 "[ . 1 . 2]" 2
1485 1 44 GLN QG 1 45 GLU H 5.140 . 5.140 3.791 2.402 4.492 . 0 0 "[ . 1 . 2]" 2
1486 1 44 GLN QG 1 72 VAL MG1 5.340 . 5.340 4.167 3.655 4.932 . 0 0 "[ . 1 . 2]" 2
1487 1 44 GLN QG 1 73 LEU QD 5.340 . 5.340 3.926 3.333 4.676 . 0 0 "[ . 1 . 2]" 2
1488 1 45 GLU H 1 45 GLU QB 2.450 . 2.450 2.437 2.328 2.538 0.088 15 0 "[ . 1 . 2]" 2
1489 1 45 GLU H 1 46 VAL QG 4.070 . 4.070 3.573 3.278 3.959 . 0 0 "[ . 1 . 2]" 2
1490 1 45 GLU HA 1 45 GLU QB 2.570 . 2.570 2.318 2.123 2.389 . 0 0 "[ . 1 . 2]" 2
1491 1 45 GLU QB 1 46 VAL H 2.960 . 2.960 2.392 2.092 3.083 0.123 13 0 "[ . 1 . 2]" 2
1492 1 45 GLU QB 1 46 VAL QG 5.270 . 5.270 3.166 2.602 4.071 . 0 0 "[ . 1 . 2]" 2
1493 1 46 VAL H 1 46 VAL QG 2.720 . 2.720 2.049 1.823 2.444 . 0 0 "[ . 1 . 2]" 2
1494 1 46 VAL QG 1 47 MET HA 5.440 . 5.440 3.554 3.190 3.820 . 0 0 "[ . 1 . 2]" 2
1495 1 46 VAL QG 1 49 ALA H 4.050 . 4.050 3.971 3.755 4.066 0.016 15 0 "[ . 1 . 2]" 2
1496 1 46 VAL QG 1 49 ALA MB 4.620 . 4.620 2.953 2.594 3.191 . 0 0 "[ . 1 . 2]" 2
1497 1 47 MET H 1 47 MET QG 3.370 . 3.370 2.318 2.205 2.425 . 0 0 "[ . 1 . 2]" 2
1498 1 47 MET QG 1 48 ALA H 3.560 . 3.560 2.755 2.308 3.206 . 0 0 "[ . 1 . 2]" 2
1499 1 47 MET QG 1 48 ALA HA 4.780 . 4.780 3.747 3.247 4.709 . 0 0 "[ . 1 . 2]" 2
1500 1 53 GLN H 1 53 GLN QB 3.310 . 3.310 2.005 1.884 2.347 . 0 0 "[ . 1 . 2]" 2
1501 1 53 GLN HA 1 53 GLN QE 5.140 . 5.140 4.128 3.299 5.036 . 0 0 "[ . 1 . 2]" 2
1502 1 53 GLN QB 1 53 GLN QE 3.600 . 3.600 2.495 1.689 3.501 . 0 0 "[ . 1 . 2]" 2
1503 1 53 GLN QB 1 54 TYR H 3.600 . 3.600 3.413 2.949 3.687 0.087 8 0 "[ . 1 . 2]" 2
1504 1 53 GLN QB 1 76 ALA MB 4.480 . 4.480 3.472 2.222 4.270 . 0 0 "[ . 1 . 2]" 2
1505 1 53 GLN QE 1 54 TYR H 5.340 . 5.340 3.638 2.287 4.749 . 0 0 "[ . 1 . 2]" 2
1506 1 53 GLN QE 1 76 ALA MB 2.380 . 2.380 2.098 1.865 2.440 0.060 8 0 "[ . 1 . 2]" 2
1507 1 53 GLN QE 1 77 ALA H 3.490 . 3.490 3.438 2.969 3.543 0.053 2 0 "[ . 1 . 2]" 2
1508 1 54 TYR HA 1 55 VAL QG 3.750 . 3.750 3.678 3.523 3.776 0.026 18 0 "[ . 1 . 2]" 2
1509 1 55 VAL QG 1 56 GLY H 2.540 . 2.540 2.167 1.835 2.408 . 0 0 "[ . 1 . 2]" 2
1510 1 55 VAL QG 1 76 ALA H 5.440 . 5.440 4.174 3.761 4.533 . 0 0 "[ . 1 . 2]" 2
1511 1 55 VAL QG 1 77 ALA MB 2.870 . 2.870 1.946 1.873 2.105 . 0 0 "[ . 1 . 2]" 2
1512 1 55 VAL QG 1 78 VAL HA 2.880 . 2.880 2.908 2.852 2.962 0.082 17 0 "[ . 1 . 2]" 2
1513 1 55 VAL QG 1 79 GLN H 4.080 . 4.080 3.672 3.526 3.820 . 0 0 "[ . 1 . 2]" 2
1514 1 55 VAL QG 1 103 TRP HE3 4.350 . 4.350 3.225 2.819 3.456 . 0 0 "[ . 1 . 2]" 2
1515 1 55 VAL QG 1 103 TRP HZ3 4.240 . 4.240 2.655 2.279 2.856 . 0 0 "[ . 1 . 2]" 2
1516 1 56 GLY HA2 1 57 VAL QG 4.370 . 4.370 3.461 3.353 3.650 . 0 0 "[ . 1 . 2]" 2
1517 1 57 VAL H 1 57 VAL QG 3.280 . 3.280 2.579 2.367 2.737 . 0 0 "[ . 1 . 2]" 2
1518 1 57 VAL QG 1 58 PHE H 3.190 . 3.190 2.857 2.457 3.207 0.017 7 0 "[ . 1 . 2]" 2
1519 1 57 VAL QG 1 77 ALA MB 5.440 . 5.440 5.169 4.766 5.459 0.019 7 0 "[ . 1 . 2]" 2
1520 1 57 VAL QG 1 79 GLN H 5.060 . 5.060 3.246 3.065 3.684 . 0 0 "[ . 1 . 2]" 2
1521 1 58 PHE QB 1 59 ARG H 3.750 . 3.750 3.265 2.221 3.620 . 0 0 "[ . 1 . 2]" 2
1522 1 59 ARG H 1 59 ARG QB 3.000 . 3.000 2.524 2.203 3.006 0.006 1 0 "[ . 1 . 2]" 2
1523 1 59 ARG QB 1 60 ASN H 4.010 . 4.010 3.652 3.217 4.025 0.015 18 0 "[ . 1 . 2]" 2
1524 1 60 ASN QB 1 66 VAL QG 3.890 . 3.890 2.310 1.807 3.085 . 0 0 "[ . 1 . 2]" 2
1525 1 61 HIS H 1 62 ASP QB 5.320 . 5.320 4.384 4.056 4.718 . 0 0 "[ . 1 . 2]" 2
1526 1 61 HIS H 1 66 VAL QG 4.910 . 4.910 4.538 3.603 4.943 0.033 4 0 "[ . 1 . 2]" 2
1527 1 61 HIS QB 1 62 ASP H 2.720 . 2.720 2.407 1.926 2.751 0.031 4 0 "[ . 1 . 2]" 2
1528 1 62 ASP H 1 62 ASP QB 3.000 . 3.000 2.360 2.267 2.443 . 0 0 "[ . 1 . 2]" 2
1529 1 62 ASP H 1 66 VAL QG 5.240 . 5.240 4.467 3.967 5.143 . 0 0 "[ . 1 . 2]" 2
1530 1 62 ASP HA 1 62 ASP QB 2.610 . 2.610 2.404 2.336 2.459 . 0 0 "[ . 1 . 2]" 2
1531 1 62 ASP QB 1 63 ILE H 3.720 . 3.720 3.589 3.092 3.761 0.041 11 0 "[ . 1 . 2]" 2
1532 1 62 ASP QB 1 64 ALA H 3.860 . 3.860 3.374 2.566 3.872 0.012 11 0 "[ . 1 . 2]" 2
1533 1 62 ASP QB 1 66 VAL QG 5.280 . 5.280 4.406 3.975 4.934 . 0 0 "[ . 1 . 2]" 2
1534 1 63 ILE H 1 66 VAL QG 5.070 . 5.070 4.291 4.029 4.518 . 0 0 "[ . 1 . 2]" 2
1535 1 63 ILE HA 1 66 VAL QG 3.090 . 3.090 2.277 1.849 2.637 . 0 0 "[ . 1 . 2]" 2
1536 1 63 ILE MG 1 67 VAL QG 4.050 . 4.050 3.749 3.478 4.061 0.011 3 0 "[ . 1 . 2]" 2
1537 1 63 ILE MD 1 67 VAL QG 3.700 . 3.700 3.390 3.204 3.623 . 0 0 "[ . 1 . 2]" 2
1538 1 64 ALA H 1 66 VAL QG 5.440 . 5.440 4.434 4.124 4.679 . 0 0 "[ . 1 . 2]" 2
1539 1 64 ALA HA 1 67 VAL QG 3.940 . 3.940 2.748 2.327 3.421 . 0 0 "[ . 1 . 2]" 2
1540 1 65 ASP H 1 66 VAL QG 3.580 . 3.580 3.494 3.286 3.595 0.015 5 0 "[ . 1 . 2]" 2
1541 1 65 ASP HA 1 68 ASP QB 3.380 . 3.380 2.441 1.962 2.952 . 0 0 "[ . 1 . 2]" 2
1542 1 65 ASP QB 1 66 VAL QG 4.120 . 4.120 3.426 2.964 4.000 . 0 0 "[ . 1 . 2]" 2
1543 1 66 VAL H 1 66 VAL QG 2.830 . 2.830 2.009 1.864 2.182 . 0 0 "[ . 1 . 2]" 2
1544 1 66 VAL H 1 67 VAL QG 4.230 . 4.230 3.939 3.689 4.122 . 0 0 "[ . 1 . 2]" 2
1545 1 66 VAL QG 1 67 VAL H 3.370 . 3.370 2.886 2.242 3.193 . 0 0 "[ . 1 . 2]" 2
1546 1 66 VAL QG 1 67 VAL HA 4.270 . 4.270 3.471 3.054 3.727 . 0 0 "[ . 1 . 2]" 2
1547 1 66 VAL QG 1 67 VAL QG 4.610 . 4.610 3.173 2.223 3.605 . 0 0 "[ . 1 . 2]" 2
1548 1 66 VAL QG 1 68 ASP H 5.100 . 5.100 4.423 4.049 4.636 . 0 0 "[ . 1 . 2]" 2
1549 1 66 VAL QG 1 69 LYS H 5.120 . 5.120 4.415 4.114 4.635 . 0 0 "[ . 1 . 2]" 2
1550 1 66 VAL QG 1 70 ALA H 4.610 . 4.610 3.847 3.653 3.996 . 0 0 "[ . 1 . 2]" 2
1551 1 66 VAL QG 1 70 ALA HA 5.440 . 5.440 4.915 4.693 5.034 . 0 0 "[ . 1 . 2]" 2
1552 1 66 VAL QG 1 70 ALA MB 4.130 . 4.130 2.972 2.807 3.199 . 0 0 "[ . 1 . 2]" 2
1553 1 66 VAL QG 1 78 VAL HA 5.440 . 5.440 4.970 4.635 5.096 . 0 0 "[ . 1 . 2]" 2
1554 1 66 VAL QG 1 78 VAL HB 4.460 . 4.460 3.509 3.171 3.782 . 0 0 "[ . 1 . 2]" 2
1555 1 66 VAL QG 1 78 VAL QG 2.540 . 2.540 1.923 1.815 2.096 . 0 0 "[ . 1 . 2]" 2
1556 1 66 VAL QG 1 79 GLN H 5.440 . 5.440 5.276 5.025 5.457 0.017 3 0 "[ . 1 . 2]" 2
1557 1 66 VAL QG 1 92 LEU HA 5.440 . 5.440 4.424 4.147 4.591 . 0 0 "[ . 1 . 2]" 2
1558 1 66 VAL QG 1 92 LEU HG 4.180 . 4.180 3.218 2.583 3.713 . 0 0 "[ . 1 . 2]" 2
1559 1 66 VAL QG 1 92 LEU MD1 3.460 . 3.460 1.947 1.811 2.114 . 0 0 "[ . 1 . 2]" 2
1560 1 67 VAL H 1 67 VAL QG 2.670 . 2.670 2.110 1.999 2.299 . 0 0 "[ . 1 . 2]" 2
1561 1 67 VAL HA 1 67 VAL QG 2.640 . 2.640 2.154 2.127 2.173 . 0 0 "[ . 1 . 2]" 2
1562 1 67 VAL HA 1 100 VAL QG 5.070 . 5.070 4.427 4.232 4.758 . 0 0 "[ . 1 . 2]" 2
1563 1 67 VAL QG 1 71 LYS H 4.260 . 4.260 3.962 3.834 4.212 . 0 0 "[ . 1 . 2]" 2
1564 1 67 VAL QG 1 95 ALA H 4.560 . 4.560 4.291 4.030 4.585 0.025 16 0 "[ . 1 . 2]" 2
1565 1 67 VAL QG 1 95 ALA MB 3.330 . 3.330 1.966 1.840 2.241 . 0 0 "[ . 1 . 2]" 2
1566 1 67 VAL QG 1 96 LEU H 3.860 . 3.860 3.786 3.510 3.891 0.031 14 0 "[ . 1 . 2]" 2
1567 1 68 ASP H 1 68 ASP QB 2.520 . 2.520 2.216 2.174 2.318 . 0 0 "[ . 1 . 2]" 2
1568 1 68 ASP QB 1 69 LYS H 2.910 . 2.910 2.317 2.189 2.631 . 0 0 "[ . 1 . 2]" 2
1569 1 68 ASP QB 1 69 LYS QD 3.780 . 3.780 3.669 2.920 3.793 0.013 9 0 "[ . 1 . 2]" 2
1570 1 68 ASP QB 1 71 LYS H 5.340 . 5.340 5.039 4.787 5.125 . 0 0 "[ . 1 . 2]" 2
1571 1 68 ASP QB 1 72 VAL H 5.340 . 5.340 5.186 4.978 5.342 0.002 16 0 "[ . 1 . 2]" 2
1572 1 70 ALA MB 1 100 VAL QG 3.290 . 3.290 1.805 1.725 2.049 . 0 0 "[ . 1 . 2]" 2
1573 1 73 LEU H 1 73 LEU QB 2.810 . 2.810 2.297 2.114 2.645 . 0 0 "[ . 1 . 2]" 2
1574 1 73 LEU QB 1 74 SER H 4.040 . 4.040 3.155 2.918 3.404 . 0 0 "[ . 1 . 2]" 2
1575 1 76 ALA HA 1 100 VAL QG 5.440 . 5.440 3.233 2.941 3.739 . 0 0 "[ . 1 . 2]" 2
1576 1 77 ALA H 1 100 VAL QG 5.320 . 5.320 3.772 3.371 4.322 . 0 0 "[ . 1 . 2]" 2
1577 1 77 ALA HA 1 100 VAL QG 3.450 . 3.450 2.903 2.478 3.265 . 0 0 "[ . 1 . 2]" 2
1578 1 77 ALA MB 1 100 VAL QG 4.310 . 4.310 4.044 3.707 4.307 . 0 0 "[ . 1 . 2]" 2
1579 1 78 VAL H 1 78 VAL QG 2.880 . 2.880 2.286 2.219 2.339 . 0 0 "[ . 1 . 2]" 2
1580 1 78 VAL H 1 100 VAL QG 4.520 . 4.520 3.554 3.214 4.109 . 0 0 "[ . 1 . 2]" 2
1581 1 78 VAL H 1 102 ILE QG 5.270 . 5.270 4.078 3.794 4.618 . 0 0 "[ . 1 . 2]" 2
1582 1 78 VAL HA 1 78 VAL QG 2.890 . 2.890 2.360 2.332 2.381 . 0 0 "[ . 1 . 2]" 2
1583 1 78 VAL QG 1 79 GLN H 2.750 . 2.750 2.448 2.359 2.530 . 0 0 "[ . 1 . 2]" 2
1584 1 78 VAL QG 1 80 LEU H 4.950 . 4.950 3.736 3.454 4.103 . 0 0 "[ . 1 . 2]" 2
1585 1 78 VAL QG 1 101 ALA H 5.440 . 5.440 4.134 3.920 4.260 . 0 0 "[ . 1 . 2]" 2
1586 1 78 VAL QG 1 102 ILE HA 4.410 . 4.410 2.433 2.346 2.588 . 0 0 "[ . 1 . 2]" 2
1587 1 78 VAL QG 1 102 ILE QG 4.010 . 4.010 2.327 1.907 3.079 . 0 0 "[ . 1 . 2]" 2
1588 1 78 VAL QG 1 103 TRP H 3.340 . 3.340 3.425 3.406 3.465 0.125 14 0 "[ . 1 . 2]" 2
1589 1 79 GLN HA 1 79 GLN QE 5.340 . 5.340 2.389 2.249 2.545 . 0 0 "[ . 1 . 2]" 2
1590 1 79 GLN QE 1 102 ILE H 5.340 . 5.340 5.392 5.362 5.421 0.081 17 0 "[ . 1 . 2]" 2
1591 1 79 GLN QE 1 102 ILE MG 3.980 . 3.980 4.083 4.054 4.115 0.135 12 0 "[ . 1 . 2]" 2
1592 1 79 GLN QE 1 103 TRP HB2 4.240 . 4.240 1.725 1.573 1.795 . 0 0 "[ . 1 . 2]" 2
1593 1 79 GLN QE 1 103 TRP HD1 4.780 . 4.780 4.025 3.766 4.112 . 0 0 "[ . 1 . 2]" 2
1594 1 79 GLN QE 1 103 TRP HE1 5.340 . 5.340 4.752 4.583 4.851 . 0 0 "[ . 1 . 2]" 2
1595 1 81 HIS QB 1 82 GLY H 4.200 . 4.200 3.539 1.806 3.969 . 0 0 "[ . 1 . 2]" 2
1596 1 83 ASN H 1 83 ASN QB 3.450 . 3.450 2.389 2.182 2.775 . 0 0 "[ . 1 . 2]" 2
1597 1 83 ASN H 1 84 GLU QB 5.330 . 5.330 4.812 4.296 5.241 . 0 0 "[ . 1 . 2]" 2
1598 1 83 ASN HA 1 83 ASN QB 2.630 . 2.630 2.311 2.103 2.439 . 0 0 "[ . 1 . 2]" 2
1599 1 84 GLU QB 1 85 GLU H 4.030 . 4.030 2.540 2.301 2.892 . 0 0 "[ . 1 . 2]" 2
1600 1 84 GLU QB 1 88 TYR QB 5.050 . 5.050 3.424 2.487 4.141 . 0 0 "[ . 1 . 2]" 2
1601 1 84 GLU QB 1 88 TYR QD 4.140 . 4.140 2.658 2.421 3.216 . 0 0 "[ . 1 . 2]" 2
1602 1 85 GLU H 1 85 GLU QB 3.310 . 3.310 2.918 2.851 2.985 . 0 0 "[ . 1 . 2]" 2
1603 1 85 GLU H 1 85 GLU QG 4.340 . 4.340 4.342 4.209 4.367 0.027 6 0 "[ . 1 . 2]" 2
1604 1 85 GLU H 1 88 TYR QB 4.440 . 4.440 3.217 2.460 3.545 . 0 0 "[ . 1 . 2]" 2
1605 1 85 GLU HA 1 85 GLU QG 2.940 . 2.940 2.371 2.270 2.971 0.031 4 0 "[ . 1 . 2]" 2
1606 1 85 GLU HA 1 86 GLN QE 5.290 . 5.290 4.223 2.508 5.352 0.062 6 0 "[ . 1 . 2]" 2
1607 1 85 GLU QB 1 86 GLN H 3.840 . 3.840 3.325 2.732 3.753 . 0 0 "[ . 1 . 2]" 2
1608 1 85 GLU QB 1 87 LEU H 4.530 . 4.530 3.602 2.616 4.033 . 0 0 "[ . 1 . 2]" 2
1609 1 85 GLU QB 1 88 TYR H 5.340 . 5.340 2.615 1.935 3.031 . 0 0 "[ . 1 . 2]" 2
1610 1 86 GLN H 1 86 GLN QB 2.870 . 2.870 2.219 2.134 2.359 . 0 0 "[ . 1 . 2]" 2
1611 1 86 GLN H 1 86 GLN QE 5.340 . 5.340 3.033 1.968 3.901 . 0 0 "[ . 1 . 2]" 2
1612 1 86 GLN H 1 87 LEU QD 4.170 . 4.170 4.235 4.207 4.284 0.114 18 0 "[ . 1 . 2]" 2
1613 1 86 GLN QB 1 88 TYR H 5.230 . 5.230 4.234 4.140 4.366 . 0 0 "[ . 1 . 2]" 2
1614 1 86 GLN QE 1 87 LEU H 4.650 . 4.650 4.169 3.223 4.688 0.038 18 0 "[ . 1 . 2]" 2
1615 1 87 LEU QD 1 88 TYR H 4.260 . 4.260 4.136 3.964 4.230 . 0 0 "[ . 1 . 2]" 2
1616 1 88 TYR QB 1 89 ILE H 3.840 . 3.840 2.693 2.454 2.864 . 0 0 "[ . 1 . 2]" 2
1617 1 89 ILE H 1 89 ILE QG 3.390 . 3.390 3.246 2.506 3.425 0.035 18 0 "[ . 1 . 2]" 2
1618 1 89 ILE HA 1 89 ILE QG 3.630 . 3.630 2.397 2.318 2.461 . 0 0 "[ . 1 . 2]" 2
1619 1 89 ILE MG 1 93 ARG QD 4.790 . 4.790 2.997 2.460 3.738 . 0 0 "[ . 1 . 2]" 2
1620 1 89 ILE QG 1 117 PHE QD 3.990 . 3.990 3.342 2.652 4.020 0.030 1 0 "[ . 1 . 2]" 2
1621 1 89 ILE QG 1 117 PHE QE 5.340 . 5.340 4.583 3.875 5.013 . 0 0 "[ . 1 . 2]" 2
1622 1 91 THR HA 1 94 GLU QG 3.000 . 3.000 2.671 2.479 2.999 . 0 0 "[ . 1 . 2]" 2
1623 1 92 LEU H 1 93 ARG QD 4.070 . 4.070 4.121 3.996 4.222 0.152 10 0 "[ . 1 . 2]" 2
1624 1 92 LEU HB3 1 93 ARG QD 5.340 . 5.340 3.912 3.059 5.025 . 0 0 "[ . 1 . 2]" 2
1625 1 93 ARG H 1 93 ARG QB 3.580 . 3.580 2.715 2.247 3.051 . 0 0 "[ . 1 . 2]" 2
1626 1 93 ARG H 1 93 ARG QD 4.030 . 4.030 1.951 1.638 2.263 . 0 0 "[ . 1 . 2]" 2
1627 1 93 ARG H 1 102 ILE QG 5.100 . 5.100 4.567 3.464 4.835 . 0 0 "[ . 1 . 2]" 2
1628 1 93 ARG HA 1 102 ILE QG 4.850 . 4.850 4.135 3.534 4.811 . 0 0 "[ . 1 . 2]" 2
1629 1 93 ARG QB 1 94 GLU H 3.500 . 3.500 2.842 2.265 3.620 0.120 5 0 "[ . 1 . 2]" 2
1630 1 93 ARG QB 1 102 ILE MD 4.360 . 4.360 3.572 1.975 4.286 . 0 0 "[ . 1 . 2]" 2
1631 1 93 ARG QG 1 94 GLU QG 4.860 . 4.860 4.274 2.879 4.890 0.030 13 0 "[ . 1 . 2]" 2
1632 1 93 ARG QD 1 94 GLU H 4.790 . 4.790 3.978 2.685 4.372 . 0 0 "[ . 1 . 2]" 2
1633 1 93 ARG QD 1 102 ILE QG 4.320 . 4.320 3.819 2.857 4.366 0.046 17 0 "[ . 1 . 2]" 2
1634 1 93 ARG QD 1 102 ILE MD 4.350 . 4.350 2.195 1.736 3.794 . 0 0 "[ . 1 . 2]" 2
1635 1 94 GLU H 1 94 GLU QG 2.900 . 2.900 2.087 1.940 2.353 . 0 0 "[ . 1 . 2]" 2
1636 1 94 GLU HA 1 94 GLU QG 2.690 . 2.690 2.475 2.402 2.719 0.029 3 0 "[ . 1 . 2]" 2
1637 1 94 GLU QG 1 95 ALA H 3.750 . 3.750 3.781 3.758 3.807 0.057 3 0 "[ . 1 . 2]" 2
1638 1 96 LEU HA 1 100 VAL QG 4.620 . 4.620 3.925 3.013 4.380 . 0 0 "[ . 1 . 2]" 2
1639 1 97 PRO HA 1 100 VAL QG 5.230 . 5.230 5.006 4.311 5.248 0.018 20 0 "[ . 1 . 2]" 2
1640 1 97 PRO HB2 1 100 VAL QG 5.120 . 5.120 3.824 3.338 4.221 . 0 0 "[ . 1 . 2]" 2
1641 1 97 PRO HB3 1 100 VAL QG 4.880 . 4.880 4.603 4.223 4.888 0.008 13 0 "[ . 1 . 2]" 2
1642 1 97 PRO QG 1 98 ALA H 4.110 . 4.110 4.130 4.110 4.148 0.038 20 0 "[ . 1 . 2]" 2
1643 1 97 PRO QG 1 100 VAL H 5.170 . 5.170 2.942 2.647 3.224 . 0 0 "[ . 1 . 2]" 2
1644 1 97 PRO QG 1 100 VAL QG 3.980 . 3.980 2.123 1.904 2.409 . 0 0 "[ . 1 . 2]" 2
1645 1 99 HIS H 1 100 VAL QG 4.460 . 4.460 3.670 3.240 4.027 . 0 0 "[ . 1 . 2]" 2
1646 1 99 HIS QB 1 100 VAL H 4.350 . 4.350 3.171 2.802 4.052 . 0 0 "[ . 1 . 2]" 2
1647 1 100 VAL H 1 100 VAL QG 2.780 . 2.780 2.366 1.896 2.597 . 0 0 "[ . 1 . 2]" 2
1648 1 100 VAL HA 1 100 VAL QG 2.290 . 2.290 2.116 2.080 2.318 0.028 1 0 "[ . 1 . 2]" 2
1649 1 100 VAL QG 1 101 ALA H 3.060 . 3.060 2.465 2.234 2.591 . 0 0 "[ . 1 . 2]" 2
1650 1 100 VAL QG 1 101 ALA HA 5.440 . 5.440 3.654 3.476 3.772 . 0 0 "[ . 1 . 2]" 2
1651 1 100 VAL QG 1 101 ALA MB 4.800 . 4.800 3.830 3.711 3.915 . 0 0 "[ . 1 . 2]" 2
1652 1 101 ALA MB 1 121 ASP QB 4.860 . 4.860 2.048 1.906 2.341 . 0 0 "[ . 1 . 2]" 2
1653 1 102 ILE H 1 102 ILE QG 4.190 . 4.190 3.242 2.823 3.910 . 0 0 "[ . 1 . 2]" 2
1654 1 102 ILE H 1 121 ASP QB 3.910 . 3.910 2.516 2.177 2.887 . 0 0 "[ . 1 . 2]" 2
1655 1 102 ILE HA 1 102 ILE QG 3.330 . 3.330 2.465 2.392 2.592 . 0 0 "[ . 1 . 2]" 2
1656 1 102 ILE QG 1 103 TRP H 4.540 . 4.540 4.099 3.917 4.293 . 0 0 "[ . 1 . 2]" 2
1657 1 103 TRP HA 1 104 LYS QB 4.090 . 4.090 3.943 3.771 4.108 0.018 18 0 "[ . 1 . 2]" 2
1658 1 103 TRP HA 1 121 ASP QB 5.260 . 5.260 3.848 3.651 4.192 . 0 0 "[ . 1 . 2]" 2
1659 1 103 TRP HA 1 122 LYS QB 4.620 . 4.620 3.841 3.589 4.253 . 0 0 "[ . 1 . 2]" 2
1660 1 103 TRP HD1 1 122 LYS QB 3.640 . 3.640 2.819 2.692 3.049 . 0 0 "[ . 1 . 2]" 2
1661 1 103 TRP HE1 1 121 ASP QB 3.880 . 3.880 2.788 2.410 3.137 . 0 0 "[ . 1 . 2]" 2
1662 1 103 TRP HE1 1 122 LYS QB 3.900 . 3.900 2.925 2.538 3.218 . 0 0 "[ . 1 . 2]" 2
1663 1 103 TRP HE1 1 122 LYS QG 5.340 . 5.340 3.979 2.562 5.062 . 0 0 "[ . 1 . 2]" 2
1664 1 103 TRP HE1 1 122 LYS QE 4.290 . 4.290 3.536 2.439 4.324 0.034 1 0 "[ . 1 . 2]" 2
1665 1 103 TRP HZ2 1 122 LYS QG 5.340 . 5.340 4.854 3.492 5.383 0.043 19 0 "[ . 1 . 2]" 2
1666 1 103 TRP HH2 1 122 LYS QB 5.210 . 5.210 5.217 5.037 5.267 0.057 1 0 "[ . 1 . 2]" 2
1667 1 104 LYS H 1 104 LYS QB 3.580 . 3.580 2.390 2.177 2.961 . 0 0 "[ . 1 . 2]" 2
1668 1 104 LYS H 1 123 TYR QB 5.120 . 5.120 3.967 3.179 4.941 . 0 0 "[ . 1 . 2]" 2
1669 1 105 ALA HA 1 106 LEU QB 4.330 . 4.330 3.981 3.878 4.028 . 0 0 "[ . 1 . 2]" 2
1670 1 106 LEU H 1 106 LEU QB 2.190 . 2.190 2.194 2.090 2.214 0.024 13 0 "[ . 1 . 2]" 2
1671 1 106 LEU QB 1 106 LEU QD 2.720 . 2.720 1.933 1.898 1.972 . 0 0 "[ . 1 . 2]" 2
1672 1 106 LEU QB 1 107 SER H 4.360 . 4.360 3.936 3.823 4.006 . 0 0 "[ . 1 . 2]" 2
1673 1 106 LEU QB 1 123 TYR HA 4.480 . 4.480 4.382 4.062 4.537 0.057 20 0 "[ . 1 . 2]" 2
1674 1 106 LEU QB 1 123 TYR QB 3.550 . 3.550 2.981 2.348 3.560 0.010 6 0 "[ . 1 . 2]" 2
1675 1 106 LEU QB 1 123 TYR QD 2.780 . 2.780 2.392 1.970 2.701 . 0 0 "[ . 1 . 2]" 2
1676 1 106 LEU QB 1 124 VAL H 4.450 . 4.450 3.430 3.023 3.683 . 0 0 "[ . 1 . 2]" 2
1677 1 106 LEU QD 1 107 SER H 4.980 . 4.980 3.240 2.679 3.628 . 0 0 "[ . 1 . 2]" 2
1678 1 106 LEU QD 1 123 TYR QB 4.190 . 4.190 3.063 2.637 3.568 . 0 0 "[ . 1 . 2]" 2
1679 1 106 LEU QD 1 123 TYR QD 2.990 . 2.990 2.323 1.996 2.922 . 0 0 "[ . 1 . 2]" 2
1680 1 106 LEU QD 1 123 TYR QE 3.700 . 3.700 2.601 2.060 3.375 . 0 0 "[ . 1 . 2]" 2
1681 1 106 LEU QD 1 124 VAL H 5.440 . 5.440 4.464 4.018 4.739 . 0 0 "[ . 1 . 2]" 2
1682 1 107 SER H 1 107 SER QB 3.470 . 3.470 2.407 2.190 2.548 . 0 0 "[ . 1 . 2]" 2
1683 1 107 SER QB 1 108 VAL H 3.800 . 3.800 3.261 2.493 3.805 0.005 10 0 "[ . 1 . 2]" 2
1684 1 108 VAL H 1 108 VAL QG 2.380 . 2.380 1.877 1.822 1.936 . 0 0 "[ . 1 . 2]" 2
1685 1 108 VAL HA 1 108 VAL QG 2.740 . 2.740 2.253 2.214 2.304 . 0 0 "[ . 1 . 2]" 2
1686 1 108 VAL QG 1 109 GLY H 3.970 . 3.970 3.383 3.188 3.564 . 0 0 "[ . 1 . 2]" 2
1687 1 109 GLY QA 1 110 GLU H 2.260 . 2.260 2.188 2.052 2.331 0.071 2 0 "[ . 1 . 2]" 2
1688 1 109 GLY QA 1 110 GLU HA 4.760 . 4.760 3.937 3.787 4.083 . 0 0 "[ . 1 . 2]" 2
1689 1 115 ARG H 1 116 GLU QG 5.330 . 5.330 4.025 3.226 4.680 . 0 0 "[ . 1 . 2]" 2
1690 1 115 ARG HA 1 116 GLU QG 4.850 . 4.850 3.750 3.200 4.360 . 0 0 "[ . 1 . 2]" 2
1691 1 115 ARG QB 1 115 ARG QG 2.350 . 2.350 2.060 1.990 2.092 . 0 0 "[ . 1 . 2]" 2
1692 1 115 ARG QB 1 116 GLU H 3.120 . 3.120 3.040 2.689 3.161 0.041 9 0 "[ . 1 . 2]" 2
1693 1 116 GLU H 1 116 GLU QG 4.100 . 4.100 2.938 2.294 3.532 . 0 0 "[ . 1 . 2]" 2
1694 1 116 GLU QG 1 117 PHE H 4.160 . 4.160 3.499 1.712 3.872 . 0 0 "[ . 1 . 2]" 2
1695 1 117 PHE QB 1 120 VAL MG1 4.260 . 4.260 2.742 2.009 3.278 . 0 0 "[ . 1 . 2]" 2
1696 1 118 GLN H 1 118 GLN QB 3.550 . 3.550 2.649 2.065 3.122 . 0 0 "[ . 1 . 2]" 2
1697 1 118 GLN H 1 118 GLN QG 3.660 . 3.660 2.541 1.973 3.738 0.078 6 0 "[ . 1 . 2]" 2
1698 1 118 GLN HA 1 118 GLN QG 3.430 . 3.430 3.058 2.118 3.481 0.051 4 0 "[ . 1 . 2]" 2
1699 1 118 GLN QB 1 118 GLN HE21 4.190 . 4.190 2.679 1.812 3.922 . 0 0 "[ . 1 . 2]" 2
1700 1 118 GLN QB 1 119 HIS H 2.880 . 2.880 2.301 1.806 2.924 0.044 6 0 "[ . 1 . 2]" 2
1701 1 118 GLN QB 1 120 VAL H 4.630 . 4.630 4.276 3.626 4.656 0.026 6 0 "[ . 1 . 2]" 2
1702 1 118 GLN QG 1 119 HIS H 4.380 . 4.380 3.036 1.868 3.485 . 0 0 "[ . 1 . 2]" 2
1703 1 118 GLN QG 1 119 HIS HA 4.500 . 4.500 4.309 3.638 4.575 0.075 7 0 "[ . 1 . 2]" 2
1704 1 121 ASP QB 1 122 LYS H 3.780 . 3.780 2.689 2.511 2.979 . 0 0 "[ . 1 . 2]" 2
1705 1 122 LYS H 1 122 LYS QB 3.380 . 3.380 2.800 2.685 2.892 . 0 0 "[ . 1 . 2]" 2
1706 1 122 LYS QB 1 123 TYR H 3.240 . 3.240 2.860 2.375 3.304 0.064 2 0 "[ . 1 . 2]" 2
1707 1 122 LYS QE 1 122 LYS QG 2.310 . 2.310 2.296 2.140 2.375 0.065 18 0 "[ . 1 . 2]" 2
1708 1 123 TYR HA 1 123 TYR QB 2.550 . 2.550 2.307 2.170 2.515 . 0 0 "[ . 1 . 2]" 2
1709 1 123 TYR QB 1 124 VAL H 3.350 . 3.350 2.864 2.432 3.194 . 0 0 "[ . 1 . 2]" 2
1710 1 125 LEU H 1 125 LEU QB 3.120 . 3.120 2.466 2.215 2.775 . 0 0 "[ . 1 . 2]" 2
1711 1 125 LEU QB 1 125 LEU QD 2.340 . 2.340 1.970 1.895 2.103 . 0 0 "[ . 1 . 2]" 2
1712 1 125 LEU QB 1 126 ASP H 3.770 . 3.770 2.789 2.101 3.675 . 0 0 "[ . 1 . 2]" 2
1713 1 129 GLN HA 1 129 GLN QB 2.470 . 2.470 2.359 2.196 2.432 . 0 0 "[ . 1 . 2]" 2
1714 1 129 GLN HA 1 129 GLN QE 4.330 . 4.330 3.847 2.425 4.356 0.026 17 0 "[ . 1 . 2]" 2
1715 1 129 GLN QB 1 129 GLN QE 3.810 . 3.810 2.452 1.743 3.707 . 0 0 "[ . 1 . 2]" 2
1716 1 132 ALA MB 1 133 GLY QA 5.340 . 5.340 3.748 3.351 4.143 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 983
_Distance_constraint_stats_list.Viol_total 12033.910
_Distance_constraint_stats_list.Viol_max 2.258
_Distance_constraint_stats_list.Viol_rms 0.5151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5571
_Distance_constraint_stats_list.Viol_average_violations_only 0.6121
_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 26 GLY 39.608 1.544 17 19 "[******* *****-**+***]"
1 28 LEU 69.732 2.225 2 20 [*+*****-************]
1 54 TYR 48.473 1.773 18 20 [**********-******+**]
1 55 VAL 39.608 1.544 17 19 "[******* *****-**+***]"
1 56 GLY 14.940 0.536 6 3 "[- .+ 1 . *2]"
1 57 VAL 69.732 2.225 2 20 [*+*****-************]
1 58 PHE 23.697 1.191 7 12 "[ - ** + 1* ****** *]"
1 62 ASP 24.395 0.982 1 16 "[+ *** *****- ******]"
1 63 ILE 8.735 0.390 3 0 "[ . 1 . 2]"
1 64 ALA 16.739 1.024 4 8 "[ +- * *** **. 2]"
1 65 ASP 18.573 0.741 1 10 "[+ * ***- * *.* * 2]"
1 66 VAL 30.453 0.982 1 16 "[+ *** *****- ******]"
1 67 VAL 16.495 0.390 3 0 "[ . 1 . 2]"
1 68 ASP 19.314 1.024 4 8 "[ +- * *** **. 2]"
1 69 LYS 30.724 0.741 1 10 "[+ * ***- * *.* * 2]"
1 70 ALA 6.058 0.251 5 0 "[ . 1 . 2]"
1 71 LYS 7.760 0.387 11 0 "[ . 1 . 2]"
1 72 VAL 2.575 0.231 16 0 "[ . 1 . 2]"
1 73 LEU 12.151 0.490 11 0 "[ . 1 . 2]"
1 76 ALA 0.262 0.081 7 0 "[ . 1 . 2]"
1 77 ALA 63.200 1.773 18 20 [-****************+**]
1 78 VAL 6.193 0.294 3 0 "[ . 1 . 2]"
1 79 GLN 23.909 1.191 7 12 "[ - ** + 1* ****** *]"
1 80 LEU 18.845 0.921 8 12 "[ ** . *+** * ** **-]"
1 85 GLU 54.679 1.649 18 20 [***-*************+**]
1 86 GLN 52.333 1.971 9 20 [*****-**+***********]
1 87 LEU 26.478 1.329 9 20 [******-*+***********]
1 88 TYR 13.674 0.501 3 1 "[ + . 1 . 2]"
1 89 ILE 87.560 1.649 18 20 [***********-*****+**]
1 90 ASP 52.333 1.971 9 20 [*****-**+***********]
1 91 THR 56.820 1.329 9 20 [******-*+***********]
1 92 LEU 23.611 0.651 8 4 "[ -*. + 1 *. 2]"
1 93 ARG 32.881 1.003 9 20 [********+**-********]
1 95 ALA 30.342 0.988 8 20 [****-**+************]
1 96 LEU 9.936 0.651 8 4 "[ -*. + 1 *. 2]"
1 97 PRO 9.754 0.416 3 0 "[ . 1 . 2]"
1 100 VAL 9.754 0.416 3 0 "[ . 1 . 2]"
1 101 ALA 5.779 0.294 3 0 "[ . 1 . 2]"
1 103 TRP 19.522 0.921 8 12 "[ ** . *+** * ** **-]"
1 113 PRO 52.883 2.258 15 20 [*-************+*****]
1 115 ARG 52.883 2.258 15 20 [*-************+*****]
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 78 VAL O 1 103 TRP H . . 1.800 1.762 1.719 1.832 0.032 11 0 "[ . 1 . 2]" 3
2 1 78 VAL O 1 103 TRP N . . 2.700 2.731 2.686 2.793 0.093 11 0 "[ . 1 . 2]" 3
3 1 78 VAL H 1 101 ALA O . . 1.800 1.976 1.878 2.094 0.294 3 0 "[ . 1 . 2]" 3
4 1 78 VAL N 1 101 ALA O . . 2.700 2.800 2.724 2.885 0.185 14 0 "[ . 1 . 2]" 3
5 1 80 LEU H 1 103 TRP O . . 1.800 2.278 1.918 2.721 0.921 8 12 "[ ** . *+** * -* ***]" 3
6 1 80 LEU N 1 103 TRP O . . 2.700 3.164 2.880 3.550 0.850 8 11 "[ * . *+** * ** **-]" 3
7 1 76 ALA O 1 101 ALA H . . 1.800 1.761 1.650 1.881 0.081 7 0 "[ . 1 . 2]" 3
8 1 76 ALA O 1 101 ALA N . . 2.700 2.643 2.581 2.738 0.038 7 0 "[ . 1 . 2]" 3
9 1 56 GLY O 1 79 GLN H . . 1.800 1.742 1.646 1.856 0.056 20 0 "[ . 1 . 2]" 3
10 1 56 GLY O 1 79 GLN N . . 2.700 2.658 2.595 2.747 0.047 7 0 "[ . 1 . 2]" 3
11 1 56 GLY H 1 77 ALA O . . 1.800 2.151 2.036 2.334 0.534 19 3 "[- .* 1 . +2]" 3
12 1 56 GLY N 1 77 ALA O . . 2.700 3.085 2.965 3.236 0.536 6 2 "[ .+ 1 . -2]" 3
13 1 58 PHE H 1 79 GLN O . . 1.800 2.362 1.836 2.940 1.140 7 11 "[ -* + 1* ****** *]" 3
14 1 58 PHE N 1 79 GLN O . . 2.700 3.323 2.818 3.891 1.191 7 12 "[ - ** + 1* ****** *]" 3
15 1 54 TYR O 1 77 ALA H . . 1.800 2.999 2.405 3.529 1.729 19 20 [**********-*******+*] 3
16 1 54 TYR O 1 77 ALA N . . 2.700 3.925 3.358 4.473 1.773 18 20 [**********-******+**] 3
17 1 26 GLY O 1 55 VAL H . . 1.800 2.875 2.265 3.344 1.544 17 19 "[******* **-*****+***]" 3
18 1 26 GLY O 1 55 VAL N . . 2.700 3.606 3.166 3.956 1.256 10 19 "[******* *+***-******]" 3
19 1 28 LEU O 1 57 VAL H . . 1.800 3.601 2.952 4.025 2.225 2 20 [*+********-*********] 3
20 1 28 LEU O 1 57 VAL N . . 2.700 4.385 3.817 4.890 2.190 2 20 [*+*****-************] 3
21 1 88 TYR O 1 92 LEU H . . 1.800 2.129 1.973 2.301 0.501 3 1 "[ + . 1 . 2]" 3
22 1 88 TYR O 1 92 LEU N . . 2.700 3.055 2.923 3.183 0.483 18 0 "[ . 1 . 2]" 3
23 1 91 THR O 1 95 ALA H . . 1.800 2.570 2.330 2.788 0.988 8 20 [****-**+************] 3
24 1 91 THR O 1 95 ALA N . . 2.700 3.447 3.239 3.627 0.927 8 20 [*******+********-***] 3
25 1 62 ASP O 1 66 VAL H . . 1.800 2.414 2.186 2.782 0.982 1 16 "[+ *** *****- ******]" 3
26 1 62 ASP O 1 66 VAL N . . 2.700 3.305 3.092 3.597 0.897 1 15 "[+ *-* ***** ******]" 3
27 1 64 ALA O 1 68 ASP H . . 1.800 2.243 1.969 2.824 1.024 4 8 "[ +- * *** **. 2]" 3
28 1 64 ALA O 1 68 ASP N . . 2.700 3.094 2.845 3.579 0.879 4 5 "[ +. * *- *. 2]" 3
29 1 63 ILE O 1 67 VAL H . . 1.800 1.991 1.857 2.160 0.360 4 0 "[ . 1 . 2]" 3
30 1 63 ILE O 1 67 VAL N . . 2.700 2.945 2.816 3.090 0.390 3 0 "[ . 1 . 2]" 3
31 1 65 ASP O 1 69 LYS H . . 1.800 2.240 1.964 2.513 0.713 1 9 "[+ * ***- * *.* 2]" 3
32 1 65 ASP O 1 69 LYS N . . 2.700 3.189 2.943 3.441 0.741 1 10 "[+ * **** * -.* * 2]" 3
33 1 67 VAL O 1 71 LYS H . . 1.800 2.028 1.922 2.187 0.387 11 0 "[ . 1 . 2]" 3
34 1 67 VAL O 1 71 LYS N . . 2.700 2.860 2.780 2.984 0.284 11 0 "[ . 1 . 2]" 3
35 1 69 LYS O 1 73 LEU H . . 1.800 2.105 1.898 2.290 0.490 11 0 "[ . 1 . 2]" 3
36 1 69 LYS O 1 73 LEU N . . 2.700 3.002 2.848 3.123 0.423 15 0 "[ . 1 . 2]" 3
37 1 66 VAL O 1 70 ALA H . . 1.800 1.923 1.872 1.982 0.182 2 0 "[ . 1 . 2]" 3
38 1 66 VAL O 1 70 ALA N . . 2.700 2.880 2.833 2.951 0.251 5 0 "[ . 1 . 2]" 3
39 1 68 ASP O 1 72 VAL H . . 1.800 1.820 1.747 1.961 0.161 16 0 "[ . 1 . 2]" 3
40 1 68 ASP O 1 72 VAL N . . 2.700 2.798 2.723 2.931 0.231 16 0 "[ . 1 . 2]" 3
41 1 89 ILE O 1 93 ARG H . . 1.800 2.600 2.407 2.741 0.941 9 20 [********+**-********] 3
42 1 89 ILE O 1 93 ARG N . . 2.700 3.544 3.376 3.703 1.003 9 20 [********+**-********] 3
43 1 87 LEU O 1 91 THR H . . 1.800 2.638 2.348 3.129 1.329 9 20 [*******-+***********] 3
44 1 87 LEU O 1 91 THR N . . 2.700 3.185 2.985 3.689 0.989 9 8 "[ * . - +1 *** ** 2]" 3
45 1 86 GLN O 1 90 ASP H . . 1.800 3.111 2.636 3.771 1.971 9 20 [*****-**+***********] 3
46 1 86 GLN O 1 90 ASP N . . 2.700 4.006 3.564 4.635 1.935 9 20 [*****-**+***********] 3
47 1 85 GLU O 1 89 ILE H . . 1.800 3.211 2.849 3.449 1.649 18 20 [***-*************+**] 3
48 1 85 GLU O 1 89 ILE N . . 2.700 4.023 3.650 4.272 1.572 18 20 [***-*************+**] 3
49 1 92 LEU O 1 96 LEU H . . 1.800 2.114 1.893 2.451 0.651 8 4 "[ -*. + 1 *. 2]" 3
50 1 92 LEU O 1 96 LEU N . . 2.700 2.883 2.813 3.005 0.305 9 0 "[ . 1 . 2]" 3
51 1 97 PRO O 1 100 VAL H . . 1.800 2.020 1.874 2.179 0.379 4 0 "[ . 1 . 2]" 3
52 1 97 PRO O 1 100 VAL N . . 2.700 2.968 2.845 3.116 0.416 3 0 "[ . 1 . 2]" 3
53 1 113 PRO O 1 115 ARG H . . 1.800 3.607 3.208 4.058 2.258 15 20 [**************+-****] 3
54 1 113 PRO O 1 115 ARG N . . 2.700 3.537 3.133 3.994 1.294 14 19 [*-**.********+******] 3
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