NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624768 |
5wpx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5wpx
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 1224
_Distance_constraint_stats_list.Viol_count 2792
_Distance_constraint_stats_list.Viol_total 4325.567
_Distance_constraint_stats_list.Viol_max 1.103
_Distance_constraint_stats_list.Viol_rms 0.0360
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0775
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 10.753 1.103 5 10 "[****+ *- * * *2]"
1 2 GLN 10.491 1.103 5 10 "[****+ *- * * *2]"
1 3 HIS 0.189 0.031 4 0 "[ . 1 . 2]"
1 4 ALA 0.478 0.076 12 0 "[ . 1 . 2]"
1 5 SER 1.671 0.096 2 0 "[ . 1 . 2]"
1 6 VAL 5.947 0.126 1 0 "[ . 1 . 2]"
1 7 ILE 5.554 0.282 7 0 "[ . 1 . 2]"
1 8 ALA 3.940 0.085 7 0 "[ . 1 . 2]"
1 9 GLN 4.845 0.147 13 0 "[ . 1 . 2]"
1 10 PHE 4.179 0.112 5 0 "[ . 1 . 2]"
1 11 VAL 3.034 0.118 16 0 "[ . 1 . 2]"
1 12 VAL 3.870 0.121 12 0 "[ . 1 . 2]"
1 13 GLU 8.375 0.123 20 0 "[ . 1 . 2]"
1 14 GLU 1.484 0.081 14 0 "[ . 1 . 2]"
1 15 PHE 2.674 0.095 1 0 "[ . 1 . 2]"
1 16 LEU 3.307 0.124 7 0 "[ . 1 . 2]"
1 17 PRO 3.964 0.192 13 0 "[ . 1 . 2]"
1 18 ASP 5.322 0.127 15 0 "[ . 1 . 2]"
1 19 VAL 1.232 0.081 8 0 "[ . 1 . 2]"
1 20 ALA 0.690 0.057 8 0 "[ . 1 . 2]"
1 21 PRO 4.193 0.192 13 0 "[ . 1 . 2]"
1 22 ALA 0.702 0.057 8 0 "[ . 1 . 2]"
1 23 ASP 3.460 0.188 7 0 "[ . 1 . 2]"
1 24 VAL 0.293 0.055 20 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 3.607 0.188 7 0 "[ . 1 . 2]"
1 27 ASP 0.661 0.184 17 0 "[ . 1 . 2]"
1 28 LEU 5.140 0.137 8 0 "[ . 1 . 2]"
1 29 ASP 2.372 0.112 4 0 "[ . 1 . 2]"
1 30 LEU 4.062 0.137 8 0 "[ . 1 . 2]"
1 31 VAL 4.666 0.190 8 0 "[ . 1 . 2]"
1 32 ASP 1.685 0.115 2 0 "[ . 1 . 2]"
1 33 ASN 6.292 0.182 2 0 "[ . 1 . 2]"
1 34 GLY 0.800 0.102 20 0 "[ . 1 . 2]"
1 35 VAL 6.048 0.256 9 0 "[ . 1 . 2]"
1 36 ILE 3.833 0.176 20 0 "[ . 1 . 2]"
1 37 ASP 0.884 0.081 13 0 "[ . 1 . 2]"
1 38 SER 3.522 0.105 19 0 "[ . 1 . 2]"
1 39 LEU 12.894 0.261 5 0 "[ . 1 . 2]"
1 40 GLY 4.798 0.145 6 0 "[ . 1 . 2]"
1 41 LEU 4.096 0.159 20 0 "[ . 1 . 2]"
1 42 LEU 9.343 0.270 4 0 "[ . 1 . 2]"
1 43 LYS 5.733 0.130 5 0 "[ . 1 . 2]"
1 44 VAL 2.835 0.124 9 0 "[ . 1 . 2]"
1 45 ILE 5.022 0.262 14 0 "[ . 1 . 2]"
1 46 ALA 0.277 0.045 16 0 "[ . 1 . 2]"
1 47 TRP 4.885 0.186 6 0 "[ . 1 . 2]"
1 48 LEU 12.290 0.258 14 0 "[ . 1 . 2]"
1 49 GLU 8.356 0.141 6 0 "[ . 1 . 2]"
1 50 ASP 4.877 0.186 6 0 "[ . 1 . 2]"
1 51 ARG 3.270 0.129 20 0 "[ . 1 . 2]"
1 52 PHE 2.670 0.197 8 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 2.141 0.088 13 0 "[ . 1 . 2]"
1 55 ALA 1.488 0.141 6 0 "[ . 1 . 2]"
1 56 ALA 1.919 0.126 5 0 "[ . 1 . 2]"
1 57 ASP 3.365 0.127 13 0 "[ . 1 . 2]"
1 58 ASP 2.606 0.125 18 0 "[ . 1 . 2]"
1 59 VAL 1.369 0.123 15 0 "[ . 1 . 2]"
1 60 GLU 6.225 0.209 17 0 "[ . 1 . 2]"
1 61 LEU 4.904 0.209 17 0 "[ . 1 . 2]"
1 62 SER 1.719 0.086 18 0 "[ . 1 . 2]"
1 63 PRO 1.179 0.048 10 0 "[ . 1 . 2]"
1 64 GLU 7.723 0.166 1 0 "[ . 1 . 2]"
1 65 HIS 0.376 0.066 11 0 "[ . 1 . 2]"
1 66 PHE 1.119 0.066 7 0 "[ . 1 . 2]"
1 67 ARG 2.919 0.125 15 0 "[ . 1 . 2]"
1 68 SER 1.339 0.190 8 0 "[ . 1 . 2]"
1 69 ILE 12.538 0.264 8 0 "[ . 1 . 2]"
1 70 ARG 0.650 0.135 6 0 "[ . 1 . 2]"
1 71 SER 2.195 0.107 10 0 "[ . 1 . 2]"
1 72 ILE 5.784 0.270 7 0 "[ . 1 . 2]"
1 73 ASP 0.359 0.099 18 0 "[ . 1 . 2]"
1 74 ALA 2.751 0.129 19 0 "[ . 1 . 2]"
1 75 PHE 4.088 0.124 11 0 "[ . 1 . 2]"
1 76 VAL 5.443 0.235 17 0 "[ . 1 . 2]"
1 77 VAL 6.229 0.232 4 0 "[ . 1 . 2]"
1 78 GLY 0.175 0.090 17 0 "[ . 1 . 2]"
1 79 ALA 4.073 0.129 10 0 "[ . 1 . 2]"
1 80 THR 2.590 0.187 17 0 "[ . 1 . 2]"
1 81 THR 3.282 0.187 17 0 "[ . 1 . 2]"
1 82 PRO 0.705 0.124 17 0 "[ . 1 . 2]"
1 83 PRO 0.091 0.057 14 0 "[ . 1 . 2]"
1 84 VAL 0.121 0.057 14 0 "[ . 1 . 2]"
1 85 GLU 1.084 0.087 7 0 "[ . 1 . 2]"
1 87 LYS 0.757 0.116 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET H1 1 1 MET QB 1.800 . 3.500 3.013 2.312 3.519 0.019 18 0 "[ . 1 . 2]" 1
2 1 1 MET H1 1 1 MET QG 1.800 . 3.500 2.745 1.793 3.728 0.228 17 0 "[ . 1 . 2]" 1
3 1 1 MET H1 1 1 MET HA 1.800 . 3.500 2.504 2.201 2.884 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 1 MET QG 1.800 . 3.500 2.628 2.230 3.477 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 1 MET QG 1.800 . 3.500 2.081 2.017 2.109 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET HA 1 2 GLN H 1.800 . 3.500 2.817 2.185 3.181 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET H1 1 2 GLN H 1.800 . 3.500 3.590 1.839 4.603 1.103 5 10 "[****+ *- * * *2]" 1
8 1 1 MET QB 1 4 ALA MB 1.800 . 3.500 2.347 1.932 3.542 0.042 17 0 "[ . 1 . 2]" 1
9 1 2 GLN HA 1 2 GLN QG 1.800 . 3.500 2.429 2.317 2.900 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLN H 1 2 GLN QB 1.800 . 3.500 2.475 2.252 3.346 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLN H 1 2 GLN QG 1.800 . 5.000 2.590 2.048 4.072 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET QG 1 2 GLN H 1.800 . 5.000 4.030 2.998 4.477 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLN H 1 3 HIS H 1.800 . 5.000 3.086 2.692 4.530 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLN H 1 3 HIS QB 1.800 . 6.300 5.108 4.701 5.601 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLN H 1 2 GLN QE 1.800 . 5.000 3.702 3.246 4.176 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLN QB 1 77 VAL QG 1.800 . 3.500 2.557 1.864 3.316 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLN QG 1 77 VAL MG1 1.800 . 5.000 3.857 3.316 4.289 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLN QG 1 77 VAL MG2 1.800 . 3.500 3.494 3.353 3.568 0.068 15 0 "[ . 1 . 2]" 1
19 1 2 GLN QG 1 77 VAL QG 1.800 . 5.000 3.231 3.037 3.370 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLN QB 1 3 HIS H 1.800 . 5.000 2.866 2.507 3.883 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLN HA 1 3 HIS H 1.800 . 5.000 3.221 2.200 3.579 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLN QG 1 3 HIS H 1.800 . 5.000 4.001 2.966 4.479 . 0 0 "[ . 1 . 2]" 1
23 1 3 HIS H 1 4 ALA H 1.800 . 3.500 2.262 1.769 2.905 0.031 4 0 "[ . 1 . 2]" 1
24 1 3 HIS HB3 1 6 VAL QG 1.800 . 6.000 3.174 2.260 4.576 . 0 0 "[ . 1 . 2]" 1
25 1 3 HIS HB2 1 6 VAL QG 1.800 . 6.000 3.935 2.553 4.671 . 0 0 "[ . 1 . 2]" 1
26 1 3 HIS HA 1 6 VAL QG 1.800 . 4.300 3.254 2.584 3.899 . 0 0 "[ . 1 . 2]" 1
27 1 3 HIS HB3 1 7 ILE MD 1.800 . 5.300 4.511 3.454 5.325 0.025 6 0 "[ . 1 . 2]" 1
28 1 3 HIS HB2 1 7 ILE MD 1.800 . 5.000 4.387 3.099 5.023 0.023 1 0 "[ . 1 . 2]" 1
29 1 4 ALA H 1 4 ALA MB 1.800 . 3.500 2.183 2.053 2.252 . 0 0 "[ . 1 . 2]" 1
30 1 1 MET QB 1 4 ALA H 1.800 . 5.000 3.155 2.057 4.345 . 0 0 "[ . 1 . 2]" 1
31 1 3 HIS HA 1 4 ALA H 1.800 . 3.500 3.032 2.640 3.288 . 0 0 "[ . 1 . 2]" 1
32 1 4 ALA H 1 5 SER H 1.800 . 5.000 2.717 2.679 2.775 . 0 0 "[ . 1 . 2]" 1
33 1 1 MET QG 1 4 ALA HA 1.800 . 5.000 4.977 4.679 5.076 0.076 12 0 "[ . 1 . 2]" 1
34 1 4 ALA HA 1 7 ILE HB 1.800 . 5.000 2.856 2.376 3.154 . 0 0 "[ . 1 . 2]" 1
35 1 4 ALA MB 1 5 SER HA 1.800 . 5.000 3.801 3.721 3.856 . 0 0 "[ . 1 . 2]" 1
36 1 4 ALA HA 1 5 SER H 1.800 . 5.000 3.543 3.530 3.559 . 0 0 "[ . 1 . 2]" 1
37 1 4 ALA MB 1 5 SER H 1.800 . 5.000 2.667 2.553 2.754 . 0 0 "[ . 1 . 2]" 1
38 1 5 SER H 1 6 VAL H 1.800 . 3.500 2.716 2.633 2.784 . 0 0 "[ . 1 . 2]" 1
39 1 5 SER HA 1 6 VAL QG 1.800 . 5.000 4.806 4.764 4.852 . 0 0 "[ . 1 . 2]" 1
40 1 6 VAL HA 1 6 VAL HB 1.800 . 2.900 3.023 3.019 3.026 0.126 1 0 "[ . 1 . 2]" 1
41 1 6 VAL H 1 6 VAL HB 1.800 . 3.500 2.437 2.415 2.463 . 0 0 "[ . 1 . 2]" 1
42 1 6 VAL HA 1 6 VAL QG 1.800 . 2.900 2.073 2.022 2.117 . 0 0 "[ . 1 . 2]" 1
43 1 6 VAL H 1 6 VAL QG 1.800 . 3.500 2.307 2.178 2.426 . 0 0 "[ . 1 . 2]" 1
44 1 6 VAL HB 1 6 VAL QG 1.800 . 2.900 1.900 1.883 1.913 . 0 0 "[ . 1 . 2]" 1
45 1 3 HIS HA 1 6 VAL H 1.800 . 6.000 3.421 3.157 3.765 . 0 0 "[ . 1 . 2]" 1
46 1 3 HIS QB 1 6 VAL HB 1.800 . 5.000 2.891 2.259 4.124 . 0 0 "[ . 1 . 2]" 1
47 1 4 ALA H 1 6 VAL H 1.800 . 6.000 4.295 4.115 4.469 . 0 0 "[ . 1 . 2]" 1
48 1 4 ALA HA 1 6 VAL H 1.800 . 6.000 4.225 4.053 4.400 . 0 0 "[ . 1 . 2]" 1
49 1 4 ALA MB 1 6 VAL H 1.800 . 6.000 4.538 4.435 4.670 . 0 0 "[ . 1 . 2]" 1
50 1 5 SER HA 1 6 VAL H 1.800 . 3.500 3.543 3.526 3.562 0.062 2 0 "[ . 1 . 2]" 1
51 1 6 VAL H 1 7 ILE MD 1.800 . 5.000 4.968 4.544 5.031 0.031 17 0 "[ . 1 . 2]" 1
52 1 6 VAL H 1 7 ILE H 1.800 . 3.500 2.610 2.566 2.680 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL H 1 8 ALA H 1.800 . 5.000 4.329 4.204 4.446 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL HA 1 9 GLN QB 1.800 . 4.300 3.158 2.315 4.252 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL HB 1 7 ILE H 1.800 . 5.000 2.665 2.608 2.697 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL QG 1 10 PHE HZ 1.800 . 6.300 6.334 6.230 6.384 0.084 19 0 "[ . 1 . 2]" 1
57 1 6 VAL QG 1 10 PHE QE 1.800 . 5.000 4.946 4.877 5.014 0.014 2 0 "[ . 1 . 2]" 1
58 1 7 ILE HA 1 7 ILE HG12 1.800 . 3.500 2.620 2.516 3.259 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE HA 1 7 ILE HG13 1.800 . 3.500 3.026 2.883 3.690 0.190 4 0 "[ . 1 . 2]" 1
60 1 7 ILE HA 1 7 ILE MG 1.800 . 2.900 2.330 2.258 2.378 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE H 1 7 ILE HB 1.800 . 3.500 2.537 2.483 2.606 . 0 0 "[ . 1 . 2]" 1
62 1 7 ILE HB 1 7 ILE MD 1.800 . 2.900 2.320 2.204 3.182 0.282 7 0 "[ . 1 . 2]" 1
63 1 7 ILE HG13 1 7 ILE MG 1.800 . 3.500 3.101 2.221 3.196 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE HG12 1 7 ILE MG 1.800 . 3.500 2.423 2.304 3.188 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE H 1 7 ILE HG12 1.800 . 5.000 3.225 1.989 3.470 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE H 1 7 ILE HG13 1.800 . 5.000 2.160 1.943 3.542 . 0 0 "[ . 1 . 2]" 1
67 1 7 ILE H 1 7 ILE MG 1.800 . 5.000 3.762 3.754 3.769 . 0 0 "[ . 1 . 2]" 1
68 1 7 ILE H 1 7 ILE MD 1.800 . 5.000 3.381 2.754 3.488 . 0 0 "[ . 1 . 2]" 1
69 1 7 ILE HA 1 7 ILE MD 1.800 . 5.000 3.645 2.013 3.838 . 0 0 "[ . 1 . 2]" 1
70 1 4 ALA HA 1 7 ILE H 1.800 . 5.000 3.259 3.132 3.411 . 0 0 "[ . 1 . 2]" 1
71 1 5 SER HA 1 7 ILE H 1.800 . 5.000 4.331 4.264 4.398 . 0 0 "[ . 1 . 2]" 1
72 1 6 VAL HA 1 7 ILE H 1.800 . 3.500 3.533 3.517 3.542 0.042 3 0 "[ . 1 . 2]" 1
73 1 7 ILE H 1 8 ALA H 1.800 . 3.500 2.783 2.687 2.833 . 0 0 "[ . 1 . 2]" 1
74 1 7 ILE H 1 8 ALA MB 1.800 . 6.000 4.399 4.285 4.500 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE H 1 9 GLN H 1.800 . 5.000 4.269 4.102 4.458 . 0 0 "[ . 1 . 2]" 1
76 1 7 ILE H 1 10 PHE QD 1.800 . 6.300 6.296 6.166 6.357 0.057 18 0 "[ . 1 . 2]" 1
77 1 7 ILE HA 1 10 PHE QB 1.800 . 6.000 2.526 2.228 2.682 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE HA 1 82 PRO QG 1.800 . 7.000 7.021 6.840 7.124 0.124 17 0 "[ . 1 . 2]" 1
79 1 5 SER HA 1 7 ILE HB 1.800 . 5.000 5.039 4.961 5.096 0.096 2 0 "[ . 1 . 2]" 1
80 1 7 ILE HB 1 8 ALA MB 1.800 . 5.000 3.899 3.752 4.075 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE HB 1 8 ALA H 1.800 . 3.500 2.429 2.312 2.624 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE MG 1 8 ALA HA 1.800 . 3.500 3.457 3.330 3.564 0.064 7 0 "[ . 1 . 2]" 1
83 1 7 ILE MG 1 8 ALA MB 1.800 . 5.000 4.046 3.905 4.218 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE MD 1 72 ILE HB 1.800 . 6.000 3.530 2.023 5.502 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE MD 1 72 ILE MD 1.800 . 6.000 4.455 3.119 6.075 0.075 17 0 "[ . 1 . 2]" 1
86 1 7 ILE MD 1 73 ASP HA 1.800 . 5.000 2.329 1.999 3.407 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE MD 1 73 ASP HB2 1.800 . 5.000 2.690 1.993 4.561 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE MD 1 73 ASP HB3 1.800 . 5.000 3.659 3.210 5.023 0.023 4 0 "[ . 1 . 2]" 1
89 1 7 ILE MD 1 73 ASP H 1.800 . 5.000 3.379 2.531 4.660 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE MD 1 76 VAL MG2 1.800 . 6.000 3.265 2.194 4.791 . 0 0 "[ . 1 . 2]" 1
91 1 8 ALA H 1 8 ALA MB 1.800 . 2.900 2.138 2.052 2.247 . 0 0 "[ . 1 . 2]" 1
92 1 4 ALA HA 1 8 ALA H 1.800 . 5.000 4.306 3.970 4.582 . 0 0 "[ . 1 . 2]" 1
93 1 5 SER HA 1 8 ALA H 1.800 . 5.000 3.535 3.417 3.623 . 0 0 "[ . 1 . 2]" 1
94 1 6 VAL HA 1 8 ALA H 1.800 . 5.000 4.562 4.309 4.656 . 0 0 "[ . 1 . 2]" 1
95 1 7 ILE HA 1 8 ALA H 1.800 . 3.500 3.571 3.560 3.577 0.077 12 0 "[ . 1 . 2]" 1
96 1 7 ILE MD 1 8 ALA H 1.800 . 6.000 4.319 4.205 4.482 . 0 0 "[ . 1 . 2]" 1
97 1 8 ALA H 1 9 GLN H 1.800 . 2.900 2.739 2.659 2.840 . 0 0 "[ . 1 . 2]" 1
98 1 8 ALA H 1 10 PHE H 1.800 . 5.000 4.047 3.868 4.159 . 0 0 "[ . 1 . 2]" 1
99 1 8 ALA HA 1 11 VAL HB 1.800 . 6.000 3.794 2.671 5.372 . 0 0 "[ . 1 . 2]" 1
100 1 8 ALA HA 1 21 PRO HA 1.800 . 7.000 7.029 6.969 7.078 0.078 1 0 "[ . 1 . 2]" 1
101 1 8 ALA HA 1 26 VAL HB 1.800 . 6.000 4.919 3.408 5.971 . 0 0 "[ . 1 . 2]" 1
102 1 8 ALA HA 1 26 VAL QG 1.800 . 6.300 4.073 2.962 4.713 . 0 0 "[ . 1 . 2]" 1
103 1 8 ALA HA 1 69 ILE MG 1.800 . 6.000 3.181 2.439 4.037 . 0 0 "[ . 1 . 2]" 1
104 1 6 VAL H 1 8 ALA MB 1.800 . 6.000 5.049 4.899 5.227 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE MD 1 8 ALA MB 1.800 . 6.000 5.154 4.990 5.539 . 0 0 "[ . 1 . 2]" 1
106 1 8 ALA MB 1 9 GLN QG 1.800 . 6.000 4.568 3.687 5.100 . 0 0 "[ . 1 . 2]" 1
107 1 8 ALA MB 1 11 VAL QG 1.800 . 6.000 3.946 3.391 4.421 . 0 0 "[ . 1 . 2]" 1
108 1 8 ALA MB 1 21 PRO HG3 1.800 . 6.000 5.564 5.256 6.034 0.034 6 0 "[ . 1 . 2]" 1
109 1 8 ALA MB 1 21 PRO HG2 1.800 . 6.000 5.334 4.950 5.733 . 0 0 "[ . 1 . 2]" 1
110 1 8 ALA MB 1 26 VAL QG 1.800 . 6.000 2.057 1.771 2.598 0.029 14 0 "[ . 1 . 2]" 1
111 1 8 ALA MB 1 69 ILE MD 1.800 . 6.000 2.460 1.901 3.195 . 0 0 "[ . 1 . 2]" 1
112 1 9 GLN H 1 9 GLN QB 1.800 . 2.900 2.370 2.175 2.736 . 0 0 "[ . 1 . 2]" 1
113 1 9 GLN HA 1 9 GLN HG3 1.800 . 3.500 3.343 3.027 3.647 0.147 13 0 "[ . 1 . 2]" 1
114 1 9 GLN H 1 9 GLN HG3 1.800 . 5.000 3.383 1.901 4.570 . 0 0 "[ . 1 . 2]" 1
115 1 9 GLN H 1 9 GLN HG2 1.800 . 5.000 3.765 2.536 4.409 . 0 0 "[ . 1 . 2]" 1
116 1 5 SER HA 1 9 GLN H 1.800 . 5.000 4.048 3.748 4.535 . 0 0 "[ . 1 . 2]" 1
117 1 6 VAL HA 1 9 GLN H 1.800 . 5.000 3.567 3.406 3.769 . 0 0 "[ . 1 . 2]" 1
118 1 7 ILE HA 1 9 GLN H 1.800 . 5.000 4.719 4.587 4.834 . 0 0 "[ . 1 . 2]" 1
119 1 8 ALA HA 1 9 GLN H 1.800 . 3.500 3.563 3.543 3.585 0.085 7 0 "[ . 1 . 2]" 1
120 1 8 ALA MB 1 9 GLN H 1.800 . 2.900 2.472 2.369 2.574 . 0 0 "[ . 1 . 2]" 1
121 1 9 GLN H 1 10 PHE H 1.800 . 2.900 2.623 2.555 2.683 . 0 0 "[ . 1 . 2]" 1
122 1 9 GLN H 1 11 VAL QG 1.800 . 5.000 4.661 4.090 5.110 0.110 2 0 "[ . 1 . 2]" 1
123 1 9 GLN H 1 11 VAL H 1.800 . 5.000 4.318 4.172 4.496 . 0 0 "[ . 1 . 2]" 1
124 1 9 GLN HA 1 12 VAL HB 1.800 . 5.000 2.629 2.276 4.834 . 0 0 "[ . 1 . 2]" 1
125 1 9 GLN HA 1 12 VAL QG 1.800 . 3.500 3.165 2.066 3.437 . 0 0 "[ . 1 . 2]" 1
126 1 9 GLN HA 1 21 PRO HA 1.800 . 6.000 4.519 4.251 4.815 . 0 0 "[ . 1 . 2]" 1
127 1 9 GLN HA 1 21 PRO QB 1.800 . 5.000 2.167 2.028 2.530 . 0 0 "[ . 1 . 2]" 1
128 1 9 GLN HA 1 21 PRO QG 1.800 . 5.000 2.604 2.360 3.150 . 0 0 "[ . 1 . 2]" 1
129 1 6 VAL QG 1 9 GLN QB 1.800 . 5.000 3.886 3.178 4.596 . 0 0 "[ . 1 . 2]" 1
130 1 9 GLN QB 1 12 VAL QG 1.800 . 5.000 4.350 3.676 4.715 . 0 0 "[ . 1 . 2]" 1
131 1 9 GLN QB 1 21 PRO HA 1.800 . 6.000 5.375 4.937 5.809 . 0 0 "[ . 1 . 2]" 1
132 1 9 GLN QB 1 21 PRO QB 1.800 . 5.000 2.832 2.469 3.156 . 0 0 "[ . 1 . 2]" 1
133 1 6 VAL HA 1 9 GLN HG3 1.800 . 5.000 3.575 2.284 5.003 0.003 18 0 "[ . 1 . 2]" 1
134 1 6 VAL HA 1 9 GLN HG2 1.800 . 5.000 3.720 2.388 5.117 0.117 9 0 "[ . 1 . 2]" 1
135 1 9 GLN QG 1 21 PRO QB 1.800 . 5.000 3.764 2.736 4.557 . 0 0 "[ . 1 . 2]" 1
136 1 6 VAL HB 1 9 GLN QE 1.800 . 6.000 5.627 4.990 6.024 0.024 16 0 "[ . 1 . 2]" 1
137 1 9 GLN QE 1 10 PHE QD 1.800 . 5.000 3.206 2.445 3.682 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLN QE 1 11 VAL H 1.800 . 5.000 4.769 4.190 5.055 0.055 19 0 "[ . 1 . 2]" 1
139 1 9 GLN QE 1 12 VAL QG 1.800 . 6.000 5.587 4.458 5.930 . 0 0 "[ . 1 . 2]" 1
140 1 9 GLN QE 1 13 GLU HB3 1.800 . 6.000 4.340 3.149 5.040 . 0 0 "[ . 1 . 2]" 1
141 1 9 GLN QE 1 13 GLU HB2 1.800 . 5.000 3.672 2.948 4.027 . 0 0 "[ . 1 . 2]" 1
142 1 10 PHE HA 1 10 PHE QD 1.800 . 5.000 2.770 2.591 2.821 . 0 0 "[ . 1 . 2]" 1
143 1 10 PHE H 1 10 PHE QD 1.800 . 5.000 4.186 4.166 4.204 . 0 0 "[ . 1 . 2]" 1
144 1 6 VAL HA 1 10 PHE H 1.800 . 6.000 3.508 3.262 3.801 . 0 0 "[ . 1 . 2]" 1
145 1 7 ILE HA 1 10 PHE H 1.800 . 6.000 3.622 3.383 3.806 . 0 0 "[ . 1 . 2]" 1
146 1 8 ALA HA 1 10 PHE H 1.800 . 6.000 4.545 4.363 4.765 . 0 0 "[ . 1 . 2]" 1
147 1 9 GLN HA 1 10 PHE H 1.800 . 3.500 3.538 3.515 3.561 0.061 20 0 "[ . 1 . 2]" 1
148 1 9 GLN QB 1 10 PHE H 1.800 . 3.500 2.971 2.421 3.433 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLN QE 1 10 PHE H 1.800 . 5.000 2.764 1.993 3.095 . 0 0 "[ . 1 . 2]" 1
150 1 10 PHE H 1 11 VAL H 1.800 . 2.900 2.760 2.655 2.869 . 0 0 "[ . 1 . 2]" 1
151 1 10 PHE H 1 12 VAL H 1.800 . 5.000 4.114 3.975 4.291 . 0 0 "[ . 1 . 2]" 1
152 1 10 PHE HA 1 13 GLU HB3 1.800 . 5.000 3.523 2.883 4.839 . 0 0 "[ . 1 . 2]" 1
153 1 10 PHE HA 1 13 GLU HB2 1.800 . 5.000 3.401 2.873 4.126 . 0 0 "[ . 1 . 2]" 1
154 1 10 PHE HA 1 15 PHE QE 1.800 . 8.000 7.927 7.678 8.021 0.021 6 0 "[ . 1 . 2]" 1
155 1 10 PHE QB 1 11 VAL QG 1.800 . 5.000 3.167 2.619 3.989 . 0 0 "[ . 1 . 2]" 1
156 1 10 PHE QB 1 15 PHE QD 1.800 . 9.000 7.892 7.517 8.446 . 0 0 "[ . 1 . 2]" 1
157 1 10 PHE QB 1 15 PHE QE 1.800 . 9.000 7.322 6.998 7.583 . 0 0 "[ . 1 . 2]" 1
158 1 11 VAL HA 1 11 VAL QG 1.800 . 2.900 2.170 2.045 2.379 . 0 0 "[ . 1 . 2]" 1
159 1 11 VAL H 1 11 VAL HB 1.800 . 3.500 2.697 2.388 3.618 0.118 16 0 "[ . 1 . 2]" 1
160 1 11 VAL HB 1 11 VAL QG 1.800 . 2.900 1.900 1.878 1.910 . 0 0 "[ . 1 . 2]" 1
161 1 11 VAL H 1 11 VAL QG 1.800 . 3.500 2.113 1.770 2.361 0.030 17 0 "[ . 1 . 2]" 1
162 1 8 ALA HA 1 11 VAL H 1.800 . 5.000 3.780 3.596 3.989 . 0 0 "[ . 1 . 2]" 1
163 1 9 GLN HA 1 11 VAL H 1.800 . 5.000 4.683 4.500 4.816 . 0 0 "[ . 1 . 2]" 1
164 1 10 PHE HA 1 11 VAL H 1.800 . 3.500 3.566 3.553 3.579 0.079 16 0 "[ . 1 . 2]" 1
165 1 10 PHE QB 1 11 VAL H 1.800 . 3.500 2.339 2.272 2.425 . 0 0 "[ . 1 . 2]" 1
166 1 11 VAL H 1 12 VAL H 1.800 . 3.500 2.636 2.549 2.734 . 0 0 "[ . 1 . 2]" 1
167 1 11 VAL H 1 13 GLU H 1.800 . 5.000 4.088 3.987 4.265 . 0 0 "[ . 1 . 2]" 1
168 1 10 PHE H 1 11 VAL HA 1.800 . 6.000 5.392 5.316 5.465 . 0 0 "[ . 1 . 2]" 1
169 1 11 VAL HA 1 12 VAL QG 1.800 . 5.000 4.737 4.329 4.798 . 0 0 "[ . 1 . 2]" 1
170 1 11 VAL HA 1 14 GLU QB 1.800 . 5.000 3.542 3.144 3.877 . 0 0 "[ . 1 . 2]" 1
171 1 10 PHE QD 1 11 VAL HB 1.800 . 5.000 4.447 3.412 4.962 . 0 0 "[ . 1 . 2]" 1
172 1 10 PHE QE 1 11 VAL HB 1.800 . 7.000 6.302 5.341 6.956 . 0 0 "[ . 1 . 2]" 1
173 1 7 ILE HA 1 11 VAL QG 1.800 . 5.000 3.495 2.857 4.697 . 0 0 "[ . 1 . 2]" 1
174 1 7 ILE QG 1 11 VAL QG 1.800 . 6.000 4.554 3.854 5.643 . 0 0 "[ . 1 . 2]" 1
175 1 7 ILE MG 1 11 VAL QG 1.800 . 6.000 2.501 1.923 3.557 . 0 0 "[ . 1 . 2]" 1
176 1 8 ALA HA 1 11 VAL QG 1.800 . 5.000 2.856 2.140 3.525 . 0 0 "[ . 1 . 2]" 1
177 1 10 PHE HA 1 11 VAL QG 1.800 . 5.000 4.672 4.311 4.945 . 0 0 "[ . 1 . 2]" 1
178 1 10 PHE QD 1 11 VAL QG 1.800 . 5.000 2.923 2.243 3.953 . 0 0 "[ . 1 . 2]" 1
179 1 10 PHE H 1 11 VAL QG 1.800 . 5.000 4.016 3.547 4.300 . 0 0 "[ . 1 . 2]" 1
180 1 11 VAL QG 1 13 GLU QB 1.800 . 6.000 5.038 4.813 5.318 . 0 0 "[ . 1 . 2]" 1
181 1 11 VAL QG 1 14 GLU QB 1.800 . 6.000 3.793 3.282 4.489 . 0 0 "[ . 1 . 2]" 1
182 1 11 VAL QG 1 12 VAL H 1.800 . 5.000 2.459 1.766 3.229 0.034 6 0 "[ . 1 . 2]" 1
183 1 12 VAL HA 1 12 VAL HB 1.800 . 2.900 2.988 2.424 3.021 0.121 12 0 "[ . 1 . 2]" 1
184 1 12 VAL HA 1 12 VAL QG 1.800 . 2.900 2.102 2.046 2.392 . 0 0 "[ . 1 . 2]" 1
185 1 12 VAL H 1 12 VAL HB 1.800 . 3.500 2.501 2.403 3.611 0.111 6 0 "[ . 1 . 2]" 1
186 1 12 VAL HB 1 12 VAL QG 1.800 . 2.900 1.896 1.881 1.910 . 0 0 "[ . 1 . 2]" 1
187 1 12 VAL H 1 12 VAL QG 1.800 . 3.500 2.224 1.790 2.394 0.010 6 0 "[ . 1 . 2]" 1
188 1 8 ALA HA 1 12 VAL H 1.800 . 5.000 3.615 3.280 3.853 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLN HA 1 12 VAL H 1.800 . 5.000 3.639 3.476 3.963 . 0 0 "[ . 1 . 2]" 1
190 1 10 PHE HA 1 12 VAL H 1.800 . 5.000 4.742 4.615 4.902 . 0 0 "[ . 1 . 2]" 1
191 1 11 VAL HA 1 12 VAL H 1.800 . 5.000 3.563 3.549 3.580 . 0 0 "[ . 1 . 2]" 1
192 1 11 VAL H 1 12 VAL HA 1.800 . 6.000 5.293 5.225 5.369 . 0 0 "[ . 1 . 2]" 1
193 1 12 VAL HA 1 15 PHE H 1.800 . 5.000 3.290 3.179 3.449 . 0 0 "[ . 1 . 2]" 1
194 1 12 VAL HA 1 16 LEU H 1.800 . 5.000 3.998 3.287 4.765 . 0 0 "[ . 1 . 2]" 1
195 1 12 VAL HA 1 16 LEU HB3 1.800 . 6.000 5.254 4.190 6.044 0.044 16 0 "[ . 1 . 2]" 1
196 1 12 VAL HA 1 16 LEU HB2 1.800 . 5.000 4.870 4.430 5.037 0.037 7 0 "[ . 1 . 2]" 1
197 1 12 VAL HB 1 13 GLU H 1.800 . 5.000 2.753 2.614 3.868 . 0 0 "[ . 1 . 2]" 1
198 1 12 VAL HB 1 15 PHE H 1.800 . 6.000 5.402 4.745 5.616 . 0 0 "[ . 1 . 2]" 1
199 1 11 VAL H 1 12 VAL QG 1.800 . 5.000 4.129 3.534 4.324 . 0 0 "[ . 1 . 2]" 1
200 1 12 VAL QG 1 13 GLU H 1.800 . 3.500 3.155 1.839 3.287 . 0 0 "[ . 1 . 2]" 1
201 1 12 VAL QG 1 13 GLU HA 1.800 . 3.500 3.402 3.138 3.580 0.080 9 0 "[ . 1 . 2]" 1
202 1 12 VAL QG 1 13 GLU HB3 1.800 . 6.000 5.012 4.009 5.321 . 0 0 "[ . 1 . 2]" 1
203 1 12 VAL QG 1 13 GLU HB2 1.800 . 5.000 4.480 3.298 4.797 . 0 0 "[ . 1 . 2]" 1
204 1 12 VAL QG 1 16 LEU QB 1.800 . 5.000 2.487 1.933 4.134 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL QG 1 18 ASP HA 1.800 . 8.000 7.100 6.755 7.497 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL QG 1 21 PRO HA 1.800 . 6.000 2.505 2.226 2.866 . 0 0 "[ . 1 . 2]" 1
207 1 12 VAL QG 1 21 PRO QB 1.800 . 6.000 2.319 1.952 2.597 . 0 0 "[ . 1 . 2]" 1
208 1 13 GLU HA 1 13 GLU HB3 1.800 . 2.900 2.933 2.575 3.022 0.122 4 0 "[ . 1 . 2]" 1
209 1 13 GLU HA 1 13 GLU HB2 1.800 . 2.900 2.596 2.482 3.003 0.103 16 0 "[ . 1 . 2]" 1
210 1 13 GLU HA 1 13 GLU HG3 1.800 . 3.500 2.566 2.482 2.816 . 0 0 "[ . 1 . 2]" 1
211 1 13 GLU HB3 1 13 GLU HG3 1.800 . 2.900 3.019 3.016 3.023 0.123 20 0 "[ . 1 . 2]" 1
212 1 13 GLU HB2 1 13 GLU HG3 1.800 . 2.900 2.436 2.415 2.474 . 0 0 "[ . 1 . 2]" 1
213 1 13 GLU H 1 13 GLU HB3 1.800 . 3.500 2.845 2.624 3.591 0.091 8 0 "[ . 1 . 2]" 1
214 1 13 GLU H 1 13 GLU HB2 1.800 . 3.500 2.440 2.322 2.512 . 0 0 "[ . 1 . 2]" 1
215 1 13 GLU H 1 13 GLU HG3 1.800 . 5.000 4.030 2.446 4.441 . 0 0 "[ . 1 . 2]" 1
216 1 13 GLU H 1 13 GLU HG2 1.800 . 5.000 4.346 3.655 4.513 . 0 0 "[ . 1 . 2]" 1
217 1 9 GLN HA 1 13 GLU H 1.800 . 5.000 3.541 3.170 3.819 . 0 0 "[ . 1 . 2]" 1
218 1 9 GLN QE 1 13 GLU H 1.800 . 5.000 4.645 4.290 4.912 . 0 0 "[ . 1 . 2]" 1
219 1 10 PHE HA 1 13 GLU H 1.800 . 5.000 3.821 3.556 4.115 . 0 0 "[ . 1 . 2]" 1
220 1 11 VAL HA 1 13 GLU H 1.800 . 5.000 4.421 4.313 4.540 . 0 0 "[ . 1 . 2]" 1
221 1 12 VAL H 1 13 GLU H 1.800 . 2.900 2.685 2.625 2.771 . 0 0 "[ . 1 . 2]" 1
222 1 12 VAL HA 1 13 GLU H 1.800 . 3.500 3.540 3.526 3.569 0.069 14 0 "[ . 1 . 2]" 1
223 1 13 GLU H 1 14 GLU QG 1.800 . 6.300 4.831 4.191 6.381 0.081 14 0 "[ . 1 . 2]" 1
224 1 13 GLU H 1 15 PHE H 1.800 . 5.000 4.289 4.216 4.438 . 0 0 "[ . 1 . 2]" 1
225 1 13 GLU H 1 15 PHE QB 1.800 . 7.000 6.211 5.608 7.018 0.018 19 0 "[ . 1 . 2]" 1
226 1 13 GLU H 1 15 PHE QE 1.800 . 6.000 5.861 5.295 6.095 0.095 1 0 "[ . 1 . 2]" 1
227 1 9 GLN QE 1 13 GLU HA 1.800 . 6.000 5.860 5.245 6.033 0.033 16 0 "[ . 1 . 2]" 1
228 1 13 GLU HA 1 17 PRO QD 1.800 . 6.000 4.873 3.654 6.057 0.057 18 0 "[ . 1 . 2]" 1
229 1 12 VAL QG 1 13 GLU QB 1.800 . 5.000 4.181 3.153 4.465 . 0 0 "[ . 1 . 2]" 1
230 1 9 GLN QE 1 13 GLU QB 1.800 . 5.000 3.476 2.796 3.875 . 0 0 "[ . 1 . 2]" 1
231 1 12 VAL QG 1 13 GLU HG3 1.800 . 6.000 4.992 3.733 5.420 . 0 0 "[ . 1 . 2]" 1
232 1 12 VAL QG 1 13 GLU HG2 1.800 . 6.000 5.442 4.270 5.820 . 0 0 "[ . 1 . 2]" 1
233 1 14 GLU H 1 14 GLU QB 1.800 . 3.500 2.383 2.266 2.433 . 0 0 "[ . 1 . 2]" 1
234 1 14 GLU H 1 14 GLU HG3 1.800 . 5.000 2.918 2.199 4.456 . 0 0 "[ . 1 . 2]" 1
235 1 14 GLU H 1 14 GLU HG2 1.800 . 5.000 3.565 2.223 4.488 . 0 0 "[ . 1 . 2]" 1
236 1 10 PHE HA 1 14 GLU H 1.800 . 5.000 4.917 4.618 5.025 0.025 6 0 "[ . 1 . 2]" 1
237 1 11 VAL HA 1 14 GLU H 1.800 . 6.000 3.746 3.526 3.913 . 0 0 "[ . 1 . 2]" 1
238 1 12 VAL HA 1 14 GLU H 1.800 . 6.000 3.988 3.847 4.133 . 0 0 "[ . 1 . 2]" 1
239 1 12 VAL H 1 14 GLU H 1.800 . 5.000 4.240 4.093 4.378 . 0 0 "[ . 1 . 2]" 1
240 1 13 GLU H 1 14 GLU H 1.800 . 2.900 2.772 2.681 2.826 . 0 0 "[ . 1 . 2]" 1
241 1 13 GLU HA 1 14 GLU H 1.800 . 3.500 3.517 3.487 3.534 0.034 1 0 "[ . 1 . 2]" 1
242 1 13 GLU HB3 1 14 GLU H 1.800 . 6.000 2.937 2.657 3.724 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLU HB2 1 14 GLU H 1.800 . 5.000 3.743 2.896 4.032 . 0 0 "[ . 1 . 2]" 1
244 1 13 GLU HG3 1 14 GLU H 1.800 . 5.000 4.853 4.606 4.947 . 0 0 "[ . 1 . 2]" 1
245 1 13 GLU HG2 1 14 GLU H 1.800 . 6.000 4.200 3.898 5.145 . 0 0 "[ . 1 . 2]" 1
246 1 14 GLU H 1 15 PHE H 1.800 . 2.900 2.645 2.597 2.700 . 0 0 "[ . 1 . 2]" 1
247 1 14 GLU H 1 15 PHE HA 1.800 . 6.000 5.303 5.253 5.354 . 0 0 "[ . 1 . 2]" 1
248 1 14 GLU H 1 15 PHE QD 1.800 . 6.000 3.960 3.741 4.634 . 0 0 "[ . 1 . 2]" 1
249 1 14 GLU H 1 15 PHE QE 1.800 . 6.000 4.781 4.491 5.035 . 0 0 "[ . 1 . 2]" 1
250 1 14 GLU QB 1 15 PHE H 1.800 . 3.500 2.735 2.601 2.844 . 0 0 "[ . 1 . 2]" 1
251 1 15 PHE H 1 15 PHE HB3 1.800 . 4.300 3.533 3.206 3.876 . 0 0 "[ . 1 . 2]" 1
252 1 14 GLU HA 1 15 PHE H 1.800 . 3.500 3.534 3.505 3.559 0.059 3 0 "[ . 1 . 2]" 1
253 1 14 GLU HG3 1 15 PHE H 1.800 . 5.300 4.585 4.360 5.144 . 0 0 "[ . 1 . 2]" 1
254 1 14 GLU HG2 1 15 PHE H 1.800 . 5.300 4.710 3.880 5.058 . 0 0 "[ . 1 . 2]" 1
255 1 15 PHE QB 1 16 LEU QD 1.800 . 5.000 3.866 2.392 4.921 . 0 0 "[ . 1 . 2]" 1
256 1 15 PHE H 1 16 LEU QB 1.800 . 5.000 4.346 3.686 4.885 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU HA 1 16 LEU HG 1.800 . 3.500 2.892 2.280 3.605 0.105 7 0 "[ . 1 . 2]" 1
258 1 16 LEU H 1 16 LEU HB2 1.800 . 3.500 2.975 2.438 3.624 0.124 7 0 "[ . 1 . 2]" 1
259 1 16 LEU HB3 1 16 LEU QD 1.800 . 2.900 2.118 2.043 2.278 . 0 0 "[ . 1 . 2]" 1
260 1 16 LEU HB2 1 16 LEU QD 1.800 . 2.900 2.199 2.028 2.313 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU H 1 16 LEU HG 1.800 . 5.000 4.008 3.521 4.595 . 0 0 "[ . 1 . 2]" 1
262 1 16 LEU HA 1 16 LEU QD 1.800 . 3.500 2.715 2.122 3.289 . 0 0 "[ . 1 . 2]" 1
263 1 16 LEU QD 1 16 LEU HG 1.800 . 2.900 1.891 1.880 1.917 . 0 0 "[ . 1 . 2]" 1
264 1 13 GLU HA 1 16 LEU HB3 1.800 . 6.000 4.262 2.254 6.008 0.008 17 0 "[ . 1 . 2]" 1
265 1 13 GLU HA 1 16 LEU HB2 1.800 . 6.000 4.951 3.755 6.026 0.026 15 0 "[ . 1 . 2]" 1
266 1 14 GLU HA 1 16 LEU H 1.800 . 6.000 5.129 4.462 5.627 . 0 0 "[ . 1 . 2]" 1
267 1 14 GLU H 1 16 LEU H 1.800 . 5.000 4.505 4.223 4.755 . 0 0 "[ . 1 . 2]" 1
268 1 15 PHE HB3 1 16 LEU H 1.800 . 5.000 3.934 3.258 4.701 . 0 0 "[ . 1 . 2]" 1
269 1 15 PHE HB2 1 16 LEU H 1.800 . 5.000 3.183 2.065 4.537 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU HA 1 17 PRO QD 1.800 . 3.500 2.075 2.022 2.122 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU HB2 1 19 VAL HB 1.800 . 6.000 4.613 3.689 5.330 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU HB3 1 19 VAL HB 1.800 . 7.000 4.577 2.281 7.036 0.036 2 0 "[ . 1 . 2]" 1
273 1 17 PRO HA 1 17 PRO HD3 1.800 . 5.000 3.788 3.694 3.935 . 0 0 "[ . 1 . 2]" 1
274 1 17 PRO HA 1 17 PRO HD2 1.800 . 5.000 4.060 3.943 4.095 . 0 0 "[ . 1 . 2]" 1
275 1 17 PRO HB3 1 17 PRO HD3 1.800 . 4.300 3.241 3.055 3.813 . 0 0 "[ . 1 . 2]" 1
276 1 17 PRO HB2 1 17 PRO HD3 1.800 . 4.300 4.023 3.966 4.090 . 0 0 "[ . 1 . 2]" 1
277 1 17 PRO HD3 1 17 PRO HG3 1.800 . 2.900 2.284 2.270 2.296 . 0 0 "[ . 1 . 2]" 1
278 1 17 PRO HD3 1 17 PRO HG2 1.800 . 2.900 2.941 2.783 2.977 0.077 19 0 "[ . 1 . 2]" 1
279 1 17 PRO HD2 1 17 PRO HG3 1.800 . 2.900 2.804 2.751 2.955 0.055 3 0 "[ . 1 . 2]" 1
280 1 17 PRO HD2 1 17 PRO HG2 1.800 . 2.900 2.293 2.278 2.308 . 0 0 "[ . 1 . 2]" 1
281 1 12 VAL QG 1 17 PRO HA 1.800 . 7.000 4.712 3.515 6.158 . 0 0 "[ . 1 . 2]" 1
282 1 15 PHE HA 1 17 PRO HD3 1.800 . 6.000 4.809 3.913 5.722 . 0 0 "[ . 1 . 2]" 1
283 1 15 PHE HA 1 17 PRO HD2 1.800 . 7.000 6.003 5.420 6.663 . 0 0 "[ . 1 . 2]" 1
284 1 16 LEU HA 1 17 PRO HD3 1.800 . 3.500 2.375 2.250 2.517 . 0 0 "[ . 1 . 2]" 1
285 1 16 LEU HA 1 17 PRO HD2 1.800 . 3.500 2.302 2.272 2.549 . 0 0 "[ . 1 . 2]" 1
286 1 16 LEU HG 1 17 PRO QD 1.800 . 6.000 3.838 3.619 4.158 . 0 0 "[ . 1 . 2]" 1
287 1 17 PRO HA 1 18 ASP HA 1.800 . 5.000 4.611 4.427 4.774 . 0 0 "[ . 1 . 2]" 1
288 1 17 PRO HA 1 18 ASP H 1.800 . 3.500 3.242 2.925 3.509 0.009 3 0 "[ . 1 . 2]" 1
289 1 17 PRO HA 1 19 VAL H 1.800 . 6.000 3.737 3.376 4.103 . 0 0 "[ . 1 . 2]" 1
290 1 18 ASP HA 1 18 ASP HB3 1.800 . 2.900 2.506 2.490 2.513 . 0 0 "[ . 1 . 2]" 1
291 1 18 ASP HA 1 18 ASP HB2 1.800 . 2.900 2.878 2.444 3.024 0.124 16 0 "[ . 1 . 2]" 1
292 1 18 ASP H 1 18 ASP HB3 1.800 . 3.500 3.359 2.617 3.607 0.107 3 0 "[ . 1 . 2]" 1
293 1 18 ASP H 1 18 ASP HB2 1.800 . 3.500 2.698 2.387 3.627 0.127 15 0 "[ . 1 . 2]" 1
294 1 16 LEU HA 1 18 ASP H 1.800 . 6.300 4.702 3.245 6.397 0.097 11 0 "[ . 1 . 2]" 1
295 1 17 PRO QG 1 18 ASP H 1.800 . 3.500 3.115 2.828 3.334 . 0 0 "[ . 1 . 2]" 1
296 1 17 PRO QB 1 18 ASP H 1.800 . 5.000 2.668 1.727 3.529 0.073 8 0 "[ . 1 . 2]" 1
297 1 17 PRO HD3 1 18 ASP H 1.800 . 6.000 4.370 3.519 5.271 . 0 0 "[ . 1 . 2]" 1
298 1 17 PRO HD2 1 18 ASP H 1.800 . 5.000 3.464 2.054 4.969 . 0 0 "[ . 1 . 2]" 1
299 1 18 ASP H 1 19 VAL QG 1.800 . 5.000 3.511 3.238 3.769 . 0 0 "[ . 1 . 2]" 1
300 1 18 ASP H 1 19 VAL H 1.800 . 3.500 2.621 2.491 2.793 . 0 0 "[ . 1 . 2]" 1
301 1 19 VAL HA 1 19 VAL QG 1.800 . 3.500 2.049 2.016 2.141 . 0 0 "[ . 1 . 2]" 1
302 1 19 VAL HB 1 19 VAL QG 1.800 . 2.900 1.898 1.882 1.914 . 0 0 "[ . 1 . 2]" 1
303 1 19 VAL H 1 19 VAL HB 1.800 . 3.500 2.617 2.600 2.635 . 0 0 "[ . 1 . 2]" 1
304 1 19 VAL H 1 19 VAL QG 1.800 . 3.500 2.570 2.447 2.707 . 0 0 "[ . 1 . 2]" 1
305 1 12 VAL QG 1 19 VAL HB 1.800 . 6.000 4.480 3.789 5.222 . 0 0 "[ . 1 . 2]" 1
306 1 18 ASP HA 1 19 VAL H 1.800 . 3.500 3.232 3.119 3.321 . 0 0 "[ . 1 . 2]" 1
307 1 18 ASP HB3 1 19 VAL H 1.800 . 5.000 4.296 4.175 4.487 . 0 0 "[ . 1 . 2]" 1
308 1 18 ASP HB2 1 19 VAL H 1.800 . 5.000 3.789 3.409 4.451 . 0 0 "[ . 1 . 2]" 1
309 1 19 VAL HA 1 20 ALA H 1.800 . 3.500 2.256 2.226 2.298 . 0 0 "[ . 1 . 2]" 1
310 1 19 VAL H 1 20 ALA H 1.800 . 5.000 4.495 4.478 4.539 . 0 0 "[ . 1 . 2]" 1
311 1 19 VAL H 1 20 ALA MB 1.800 . 6.000 5.640 5.581 5.704 . 0 0 "[ . 1 . 2]" 1
312 1 16 LEU HB3 1 19 VAL H 1.800 . 6.300 4.747 3.306 6.372 0.072 7 0 "[ . 1 . 2]" 1
313 1 16 LEU HB2 1 19 VAL H 1.800 . 6.300 4.947 4.769 5.145 . 0 0 "[ . 1 . 2]" 1
314 1 16 LEU HG 1 19 VAL HB 1.800 . 6.000 5.326 4.347 6.028 0.028 7 0 "[ . 1 . 2]" 1
315 1 20 ALA H 1 20 ALA MB 1.800 . 2.900 2.112 2.044 2.254 . 0 0 "[ . 1 . 2]" 1
316 1 19 VAL HB 1 20 ALA H 1.800 . 5.000 4.029 3.949 4.082 . 0 0 "[ . 1 . 2]" 1
317 1 20 ALA MB 1 21 PRO QD 1.800 . 3.500 2.851 2.489 3.098 . 0 0 "[ . 1 . 2]" 1
318 1 20 ALA MB 1 23 ASP QB 1.800 . 5.000 2.958 2.235 3.502 . 0 0 "[ . 1 . 2]" 1
319 1 20 ALA H 1 23 ASP H 1.800 . 5.000 4.660 4.131 5.057 0.057 5 0 "[ . 1 . 2]" 1
320 1 20 ALA H 1 22 ALA H 1.800 . 6.000 5.473 5.112 5.773 . 0 0 "[ . 1 . 2]" 1
321 1 21 PRO QB 1 21 PRO QD 1.800 . 3.500 2.900 2.864 2.952 . 0 0 "[ . 1 . 2]" 1
322 1 21 PRO HA 1 21 PRO QD 1.800 . 5.000 3.334 3.289 3.373 . 0 0 "[ . 1 . 2]" 1
323 1 21 PRO QD 1 21 PRO QG 1.800 . 3.500 1.959 1.951 1.966 . 0 0 "[ . 1 . 2]" 1
324 1 21 PRO HA 1 21 PRO QG 1.800 . 3.500 3.291 2.997 3.499 . 0 0 "[ . 1 . 2]" 1
325 1 8 ALA MB 1 21 PRO HA 1.800 . 5.000 4.995 4.828 5.065 0.065 4 0 "[ . 1 . 2]" 1
326 1 21 PRO HA 1 24 VAL MG1 1.800 . 5.000 4.170 2.892 4.807 . 0 0 "[ . 1 . 2]" 1
327 1 21 PRO HA 1 24 VAL MG2 1.800 . 5.000 2.522 2.074 4.866 . 0 0 "[ . 1 . 2]" 1
328 1 8 ALA H 1 21 PRO QB 1.800 . 6.000 5.889 5.734 6.043 0.043 7 0 "[ . 1 . 2]" 1
329 1 8 ALA MB 1 21 PRO QB 1.800 . 5.000 3.434 3.207 3.649 . 0 0 "[ . 1 . 2]" 1
330 1 17 PRO QG 1 21 PRO QB 1.800 . 7.300 7.363 7.190 7.492 0.192 13 0 "[ . 1 . 2]" 1
331 1 17 PRO QD 1 21 PRO QB 1.800 . 7.000 6.554 5.854 7.101 0.101 6 0 "[ . 1 . 2]" 1
332 1 19 VAL QG 1 21 PRO QB 1.800 . 7.000 5.385 5.118 5.687 . 0 0 "[ . 1 . 2]" 1
333 1 20 ALA HA 1 21 PRO QB 1.800 . 5.000 4.770 4.741 4.806 . 0 0 "[ . 1 . 2]" 1
334 1 20 ALA MB 1 21 PRO QB 1.800 . 5.000 4.710 4.297 5.013 0.013 6 0 "[ . 1 . 2]" 1
335 1 21 PRO QB 1 23 ASP H 1.800 . 5.000 4.597 4.503 4.650 . 0 0 "[ . 1 . 2]" 1
336 1 12 VAL QG 1 21 PRO QG 1.800 . 5.000 2.952 2.102 3.704 . 0 0 "[ . 1 . 2]" 1
337 1 17 PRO QG 1 21 PRO QG 1.800 . 7.300 7.086 6.683 7.339 0.039 4 0 "[ . 1 . 2]" 1
338 1 19 VAL H 1 21 PRO QG 1.800 . 7.000 6.610 6.161 7.081 0.081 8 0 "[ . 1 . 2]" 1
339 1 12 VAL QG 1 21 PRO QD 1.800 . 5.000 3.494 3.025 3.994 . 0 0 "[ . 1 . 2]" 1
340 1 20 ALA HA 1 21 PRO QD 1.800 . 3.500 2.050 2.037 2.066 . 0 0 "[ . 1 . 2]" 1
341 1 21 PRO HA 1 23 ASP HA 1.800 . 6.300 6.298 6.261 6.336 0.036 20 0 "[ . 1 . 2]" 1
342 1 22 ALA H 1 22 ALA MB 1.800 . 2.900 2.137 2.062 2.265 . 0 0 "[ . 1 . 2]" 1
343 1 20 ALA HA 1 22 ALA H 1.800 . 5.000 3.937 3.764 4.108 . 0 0 "[ . 1 . 2]" 1
344 1 20 ALA MB 1 22 ALA H 1.800 . 3.500 2.834 2.428 3.150 . 0 0 "[ . 1 . 2]" 1
345 1 21 PRO HA 1 22 ALA H 1.800 . 3.500 3.516 3.486 3.534 0.034 8 0 "[ . 1 . 2]" 1
346 1 21 PRO QD 1 22 ALA H 1.800 . 3.500 2.822 2.689 2.979 . 0 0 "[ . 1 . 2]" 1
347 1 21 PRO HG2 1 22 ALA H 1.800 . 5.000 3.357 2.764 4.058 . 0 0 "[ . 1 . 2]" 1
348 1 21 PRO HG3 1 22 ALA H 1.800 . 5.000 4.410 4.155 4.686 . 0 0 "[ . 1 . 2]" 1
349 1 21 PRO QB 1 22 ALA H 1.800 . 3.500 3.046 2.712 3.340 . 0 0 "[ . 1 . 2]" 1
350 1 22 ALA H 1 23 ASP QB 1.800 . 5.000 4.590 4.519 4.667 . 0 0 "[ . 1 . 2]" 1
351 1 22 ALA H 1 24 VAL H 1.800 . 5.000 4.078 3.922 4.273 . 0 0 "[ . 1 . 2]" 1
352 1 22 ALA H 1 24 VAL QG 1.800 . 5.000 4.415 4.141 4.675 . 0 0 "[ . 1 . 2]" 1
353 1 22 ALA HA 1 23 ASP QB 1.800 . 6.000 5.419 5.385 5.458 . 0 0 "[ . 1 . 2]" 1
354 1 20 ALA HA 1 22 ALA MB 1.800 . 5.000 4.942 4.779 5.057 0.057 8 0 "[ . 1 . 2]" 1
355 1 22 ALA MB 1 23 ASP H 1.800 . 3.500 2.987 2.819 3.092 . 0 0 "[ . 1 . 2]" 1
356 1 22 ALA MB 1 23 ASP HA 1.800 . 5.000 3.920 3.851 3.979 . 0 0 "[ . 1 . 2]" 1
357 1 22 ALA MB 1 24 VAL QG 1.800 . 5.000 4.942 4.609 5.022 0.022 10 0 "[ . 1 . 2]" 1
358 1 23 ASP H 1 23 ASP QB 1.800 . 3.500 2.391 2.379 2.406 . 0 0 "[ . 1 . 2]" 1
359 1 22 ALA HA 1 23 ASP H 1.800 . 3.500 3.439 3.403 3.483 . 0 0 "[ . 1 . 2]" 1
360 1 23 ASP H 1 24 VAL HA 1.800 . 5.000 4.946 4.784 5.055 0.055 20 0 "[ . 1 . 2]" 1
361 1 23 ASP H 1 24 VAL HB 1.800 . 6.000 4.578 4.023 4.723 . 0 0 "[ . 1 . 2]" 1
362 1 23 ASP H 1 24 VAL H 1.800 . 2.900 2.452 2.322 2.603 . 0 0 "[ . 1 . 2]" 1
363 1 23 ASP H 1 26 VAL H 1.800 . 7.000 7.139 7.098 7.188 0.188 7 0 "[ . 1 . 2]" 1
364 1 20 ALA MB 1 23 ASP HB3 1.800 . 5.000 4.214 3.542 4.893 . 0 0 "[ . 1 . 2]" 1
365 1 20 ALA MB 1 23 ASP HB2 1.800 . 6.000 3.022 2.260 3.588 . 0 0 "[ . 1 . 2]" 1
366 1 24 VAL HA 1 24 VAL QG 1.800 . 2.900 2.081 2.035 2.184 . 0 0 "[ . 1 . 2]" 1
367 1 24 VAL HB 1 24 VAL QG 1.800 . 2.900 1.903 1.883 1.916 . 0 0 "[ . 1 . 2]" 1
368 1 24 VAL H 1 24 VAL HB 1.800 . 3.500 2.570 2.417 2.826 . 0 0 "[ . 1 . 2]" 1
369 1 24 VAL H 1 24 VAL QG 1.800 . 3.500 2.392 2.122 2.562 . 0 0 "[ . 1 . 2]" 1
370 1 22 ALA HA 1 24 VAL H 1.800 . 5.000 3.528 3.346 3.749 . 0 0 "[ . 1 . 2]" 1
371 1 22 ALA MB 1 24 VAL H 1.800 . 5.000 4.256 4.199 4.307 . 0 0 "[ . 1 . 2]" 1
372 1 23 ASP HA 1 24 VAL H 1.800 . 3.500 3.238 3.202 3.288 . 0 0 "[ . 1 . 2]" 1
373 1 23 ASP QB 1 24 VAL H 1.800 . 5.000 3.443 3.337 3.507 . 0 0 "[ . 1 . 2]" 1
374 1 24 VAL HA 1 25 ASP H 1.800 . 3.500 2.241 2.222 2.278 . 0 0 "[ . 1 . 2]" 1
375 1 24 VAL H 1 25 ASP H 1.800 . 5.000 4.530 4.507 4.602 . 0 0 "[ . 1 . 2]" 1
376 1 25 ASP H 1 25 ASP QB 1.800 . 3.500 2.385 2.277 2.579 . 0 0 "[ . 1 . 2]" 1
377 1 24 VAL QG 1 25 ASP H 1.800 . 5.000 2.321 1.999 2.513 . 0 0 "[ . 1 . 2]" 1
378 1 25 ASP HA 1 26 VAL H 1.800 . 3.500 2.314 2.256 2.370 . 0 0 "[ . 1 . 2]" 1
379 1 25 ASP QB 1 26 VAL QG 1.800 . 5.000 4.275 4.104 4.499 . 0 0 "[ . 1 . 2]" 1
380 1 25 ASP H 1 28 LEU QB 1.800 . 5.000 4.577 4.266 4.809 . 0 0 "[ . 1 . 2]" 1
381 1 25 ASP H 1 28 LEU H 1.800 . 6.000 5.517 5.305 5.672 . 0 0 "[ . 1 . 2]" 1
382 1 26 VAL HA 1 26 VAL HB 1.800 . 2.900 2.438 2.422 2.458 . 0 0 "[ . 1 . 2]" 1
383 1 26 VAL HA 1 26 VAL MG2 1.800 . 3.500 3.189 3.179 3.199 . 0 0 "[ . 1 . 2]" 1
384 1 26 VAL HA 1 26 VAL MG1 1.800 . 3.500 2.382 2.288 2.472 . 0 0 "[ . 1 . 2]" 1
385 1 26 VAL H 1 26 VAL MG1 1.800 . 3.500 1.998 1.792 2.181 0.008 3 0 "[ . 1 . 2]" 1
386 1 26 VAL H 1 26 VAL MG2 1.800 . 3.500 2.148 2.017 2.278 . 0 0 "[ . 1 . 2]" 1
387 1 26 VAL HB 1 26 VAL QG 1.800 . 3.500 1.903 1.885 1.915 . 0 0 "[ . 1 . 2]" 1
388 1 4 ALA MB 1 26 VAL QG 1.800 . 6.000 4.191 3.726 4.788 . 0 0 "[ . 1 . 2]" 1
389 1 26 VAL H 1 28 LEU H 1.800 . 5.000 4.467 4.416 4.547 . 0 0 "[ . 1 . 2]" 1
390 1 27 ASP H 1 27 ASP HB2 1.800 . 3.500 2.693 2.423 3.684 0.184 17 0 "[ . 1 . 2]" 1
391 1 26 VAL HA 1 27 ASP H 1.800 . 5.000 3.293 3.285 3.309 . 0 0 "[ . 1 . 2]" 1
392 1 25 ASP QB 1 27 ASP H 1.800 . 5.000 2.920 2.594 3.611 . 0 0 "[ . 1 . 2]" 1
393 1 26 VAL MG1 1 27 ASP H 1.800 . 5.000 4.068 4.012 4.124 . 0 0 "[ . 1 . 2]" 1
394 1 26 VAL MG2 1 27 ASP H 1.800 . 5.000 2.764 2.622 2.888 . 0 0 "[ . 1 . 2]" 1
395 1 27 ASP H 1 28 LEU HB3 1.800 . 5.000 4.710 4.606 4.900 . 0 0 "[ . 1 . 2]" 1
396 1 27 ASP H 1 28 LEU HB2 1.800 . 5.000 4.336 4.218 4.452 . 0 0 "[ . 1 . 2]" 1
397 1 27 ASP H 1 28 LEU H 1.800 . 3.500 2.472 2.395 2.593 . 0 0 "[ . 1 . 2]" 1
398 1 27 ASP HA 1 68 SER QB 1.800 . 6.000 5.334 4.517 6.027 0.027 20 0 "[ . 1 . 2]" 1
399 1 28 LEU HA 1 28 LEU HG 1.800 . 3.500 2.653 2.275 2.894 . 0 0 "[ . 1 . 2]" 1
400 1 28 LEU HA 1 28 LEU MD2 1.800 . 5.000 3.799 3.394 3.848 . 0 0 "[ . 1 . 2]" 1
401 1 28 LEU HA 1 28 LEU MD1 1.800 . 5.000 2.399 2.131 3.365 . 0 0 "[ . 1 . 2]" 1
402 1 28 LEU H 1 28 LEU HB2 1.800 . 3.500 2.711 2.631 2.782 . 0 0 "[ . 1 . 2]" 1
403 1 28 LEU H 1 28 LEU HB3 1.800 . 3.500 2.551 2.538 2.573 . 0 0 "[ . 1 . 2]" 1
404 1 28 LEU HB2 1 28 LEU MD1 1.800 . 3.500 2.182 2.132 2.215 . 0 0 "[ . 1 . 2]" 1
405 1 28 LEU HB3 1 28 LEU MD1 1.800 . 3.500 3.105 2.704 3.189 . 0 0 "[ . 1 . 2]" 1
406 1 28 LEU QD 1 28 LEU HG 1.800 . 2.900 1.905 1.881 1.915 . 0 0 "[ . 1 . 2]" 1
407 1 28 LEU H 1 28 LEU MD1 1.800 . 5.000 4.206 4.041 4.417 . 0 0 "[ . 1 . 2]" 1
408 1 28 LEU H 1 28 LEU MD2 1.800 . 5.000 4.281 4.043 4.359 . 0 0 "[ . 1 . 2]" 1
409 1 25 ASP QB 1 28 LEU HB3 1.800 . 5.000 3.897 3.238 4.634 . 0 0 "[ . 1 . 2]" 1
410 1 25 ASP QB 1 28 LEU HB2 1.800 . 5.000 2.859 2.330 3.477 . 0 0 "[ . 1 . 2]" 1
411 1 28 LEU QD 1 29 ASP QB 1.800 . 6.000 3.809 3.295 4.457 . 0 0 "[ . 1 . 2]" 1
412 1 25 ASP QB 1 28 LEU H 1.800 . 5.000 3.504 3.158 3.842 . 0 0 "[ . 1 . 2]" 1
413 1 27 ASP HB3 1 28 LEU H 1.800 . 5.000 4.306 3.628 4.420 . 0 0 "[ . 1 . 2]" 1
414 1 27 ASP HB2 1 28 LEU H 1.800 . 5.000 3.860 3.599 4.413 . 0 0 "[ . 1 . 2]" 1
415 1 27 ASP HA 1 28 LEU H 1.800 . 3.500 3.203 3.172 3.244 . 0 0 "[ . 1 . 2]" 1
416 1 28 LEU HB2 1 29 ASP HA 1.800 . 6.000 6.091 6.072 6.112 0.112 4 0 "[ . 1 . 2]" 1
417 1 28 LEU HB3 1 29 ASP HA 1.800 . 6.000 5.169 5.118 5.210 . 0 0 "[ . 1 . 2]" 1
418 1 28 LEU QD 1 29 ASP HA 1.800 . 6.000 4.564 3.843 4.708 . 0 0 "[ . 1 . 2]" 1
419 1 29 ASP H 1 29 ASP HB3 1.800 . 4.300 3.570 2.680 3.622 . 0 0 "[ . 1 . 2]" 1
420 1 29 ASP H 1 29 ASP HB2 1.800 . 4.300 2.526 2.446 3.616 . 0 0 "[ . 1 . 2]" 1
421 1 28 LEU QD 1 29 ASP H 1.800 . 3.500 2.882 2.246 3.200 . 0 0 "[ . 1 . 2]" 1
422 1 28 LEU H 1 29 ASP H 1.800 . 5.000 4.573 4.555 4.612 . 0 0 "[ . 1 . 2]" 1
423 1 28 LEU HB3 1 29 ASP H 1.800 . 5.000 4.035 3.909 4.087 . 0 0 "[ . 1 . 2]" 1
424 1 28 LEU HB2 1 29 ASP H 1.800 . 5.000 4.223 4.130 4.269 . 0 0 "[ . 1 . 2]" 1
425 1 28 LEU HG 1 29 ASP H 1.800 . 5.000 2.372 2.061 2.653 . 0 0 "[ . 1 . 2]" 1
426 1 29 ASP H 1 30 LEU H 1.800 . 5.000 4.522 4.460 4.536 . 0 0 "[ . 1 . 2]" 1
427 1 29 ASP H 1 31 VAL H 1.800 . 5.000 4.932 4.787 5.100 0.100 17 0 "[ . 1 . 2]" 1
428 1 29 ASP H 1 33 ASN QD 1.800 . 7.000 6.813 6.136 7.050 0.050 11 0 "[ . 1 . 2]" 1
429 1 30 LEU HA 1 30 LEU QD 1.800 . 3.500 2.924 2.033 3.434 . 0 0 "[ . 1 . 2]" 1
430 1 30 LEU HB3 1 30 LEU QD 1.800 . 2.900 2.061 2.010 2.094 . 0 0 "[ . 1 . 2]" 1
431 1 30 LEU HB2 1 30 LEU QD 1.800 . 2.900 2.156 2.061 2.378 . 0 0 "[ . 1 . 2]" 1
432 1 30 LEU QD 1 30 LEU HG 1.800 . 3.500 1.905 1.889 1.916 . 0 0 "[ . 1 . 2]" 1
433 1 30 LEU H 1 30 LEU QD 1.800 . 5.000 2.434 1.756 2.927 0.044 13 0 "[ . 1 . 2]" 1
434 1 30 LEU H 1 30 LEU HG 1.800 . 3.500 2.248 2.002 2.440 . 0 0 "[ . 1 . 2]" 1
435 1 30 LEU HA 1 30 LEU HG 1.800 . 3.500 3.373 3.062 3.527 0.027 16 0 "[ . 1 . 2]" 1
436 1 28 LEU HA 1 30 LEU H 1.800 . 6.000 5.824 5.691 5.848 . 0 0 "[ . 1 . 2]" 1
437 1 29 ASP QB 1 30 LEU H 1.800 . 5.000 3.361 3.342 3.476 . 0 0 "[ . 1 . 2]" 1
438 1 29 ASP HA 1 30 LEU H 1.800 . 3.500 2.191 2.171 2.199 . 0 0 "[ . 1 . 2]" 1
439 1 30 LEU H 1 31 VAL HB 1.800 . 7.000 4.924 4.756 5.382 . 0 0 "[ . 1 . 2]" 1
440 1 30 LEU H 1 31 VAL H 1.800 . 5.000 2.761 2.695 2.869 . 0 0 "[ . 1 . 2]" 1
441 1 30 LEU H 1 32 ASP H 1.800 . 6.000 4.911 4.684 5.143 . 0 0 "[ . 1 . 2]" 1
442 1 30 LEU H 1 69 ILE MD 1.800 . 6.300 4.632 4.096 6.308 0.008 14 0 "[ . 1 . 2]" 1
443 1 28 LEU HA 1 30 LEU HA 1.800 . 6.300 6.394 6.338 6.437 0.137 8 0 "[ . 1 . 2]" 1
444 1 30 LEU HA 1 31 VAL HB 1.800 . 6.300 5.498 5.302 5.666 . 0 0 "[ . 1 . 2]" 1
445 1 30 LEU HA 1 33 ASN H 1.800 . 5.000 3.044 2.885 3.259 . 0 0 "[ . 1 . 2]" 1
446 1 30 LEU QB 1 31 VAL QG 1.800 . 5.000 4.566 3.777 4.947 . 0 0 "[ . 1 . 2]" 1
447 1 30 LEU HB2 1 36 ILE MD 1.800 . 6.000 5.107 3.279 6.014 0.014 3 0 "[ . 1 . 2]" 1
448 1 30 LEU HB3 1 36 ILE MD 1.800 . 6.300 5.306 4.229 6.201 . 0 0 "[ . 1 . 2]" 1
449 1 30 LEU QB 1 87 LYS QE 1.800 . 9.000 9.038 9.003 9.116 0.116 14 0 "[ . 1 . 2]" 1
450 1 28 LEU QD 1 30 LEU QD 1.800 . 5.000 4.698 3.781 5.124 0.124 15 0 "[ . 1 . 2]" 1
451 1 29 ASP HA 1 30 LEU QD 1.800 . 5.000 3.831 3.221 4.203 . 0 0 "[ . 1 . 2]" 1
452 1 30 LEU QD 1 36 ILE MG 1.800 . 6.000 2.855 2.350 3.776 . 0 0 "[ . 1 . 2]" 1
453 1 30 LEU QD 1 36 ILE MD 1.800 . 5.000 3.394 1.827 4.085 . 0 0 "[ . 1 . 2]" 1
454 1 30 LEU QD 1 68 SER HA 1.800 . 5.000 3.044 2.198 4.213 . 0 0 "[ . 1 . 2]" 1
455 1 30 LEU QD 1 69 ILE H 1.800 . 5.000 2.746 2.253 3.594 . 0 0 "[ . 1 . 2]" 1
456 1 29 ASP HA 1 30 LEU HG 1.800 . 6.000 4.108 3.758 4.308 . 0 0 "[ . 1 . 2]" 1
457 1 30 LEU HG 1 68 SER HA 1.800 . 5.000 3.622 2.290 4.255 . 0 0 "[ . 1 . 2]" 1
458 1 30 LEU HG 1 69 ILE H 1.800 . 5.000 4.172 2.590 4.984 . 0 0 "[ . 1 . 2]" 1
459 1 30 LEU HG 1 69 ILE MD 1.800 . 6.000 4.899 3.469 5.663 . 0 0 "[ . 1 . 2]" 1
460 1 31 VAL HA 1 31 VAL QG 1.800 . 3.500 2.161 2.022 2.247 . 0 0 "[ . 1 . 2]" 1
461 1 31 VAL HB 1 31 VAL QG 1.800 . 2.900 1.903 1.882 1.914 . 0 0 "[ . 1 . 2]" 1
462 1 31 VAL H 1 31 VAL HB 1.800 . 3.500 2.413 2.336 2.602 . 0 0 "[ . 1 . 2]" 1
463 1 31 VAL H 1 31 VAL QG 1.800 . 3.500 2.342 2.046 2.445 . 0 0 "[ . 1 . 2]" 1
464 1 29 ASP HA 1 31 VAL H 1.800 . 5.000 3.504 3.444 3.549 . 0 0 "[ . 1 . 2]" 1
465 1 30 LEU HA 1 31 VAL H 1.800 . 3.500 3.301 3.199 3.431 . 0 0 "[ . 1 . 2]" 1
466 1 30 LEU QD 1 31 VAL H 1.800 . 5.000 3.855 3.537 4.264 . 0 0 "[ . 1 . 2]" 1
467 1 30 LEU HB3 1 31 VAL H 1.800 . 5.000 4.343 4.107 4.516 . 0 0 "[ . 1 . 2]" 1
468 1 30 LEU HB2 1 31 VAL H 1.800 . 5.000 4.000 3.178 4.426 . 0 0 "[ . 1 . 2]" 1
469 1 31 VAL H 1 32 ASP H 1.800 . 2.900 2.798 2.724 2.866 . 0 0 "[ . 1 . 2]" 1
470 1 31 VAL H 1 32 ASP QB 1.800 . 5.000 4.716 4.540 4.802 . 0 0 "[ . 1 . 2]" 1
471 1 31 VAL H 1 33 ASN H 1.800 . 5.000 4.072 3.971 4.162 . 0 0 "[ . 1 . 2]" 1
472 1 31 VAL HA 1 32 ASP H 1.800 . 3.500 3.542 3.532 3.556 0.056 17 0 "[ . 1 . 2]" 1
473 1 31 VAL HA 1 33 ASN H 1.800 . 5.000 4.024 3.867 4.148 . 0 0 "[ . 1 . 2]" 1
474 1 31 VAL HA 1 36 ILE HB 1.800 . 8.000 7.963 7.767 8.067 0.067 20 0 "[ . 1 . 2]" 1
475 1 31 VAL HA 1 36 ILE MD 1.800 . 6.000 5.271 4.771 5.495 . 0 0 "[ . 1 . 2]" 1
476 1 31 VAL HA 1 66 PHE H 1.800 . 7.000 6.780 5.839 7.057 0.057 16 0 "[ . 1 . 2]" 1
477 1 31 VAL HA 1 68 SER H 1.800 . 7.000 6.933 6.495 7.190 0.190 8 0 "[ . 1 . 2]" 1
478 1 30 LEU QB 1 31 VAL HB 1.800 . 6.300 5.624 4.871 6.033 . 0 0 "[ . 1 . 2]" 1
479 1 30 LEU QD 1 31 VAL HB 1.800 . 7.000 5.188 4.542 6.067 . 0 0 "[ . 1 . 2]" 1
480 1 31 VAL HB 1 32 ASP H 1.800 . 5.000 3.289 2.462 3.782 . 0 0 "[ . 1 . 2]" 1
481 1 31 VAL HB 1 32 ASP HA 1.800 . 6.000 5.119 4.239 5.610 . 0 0 "[ . 1 . 2]" 1
482 1 31 VAL HB 1 67 ARG QG 1.800 . 6.000 4.611 3.403 6.009 0.009 10 0 "[ . 1 . 2]" 1
483 1 31 VAL HB 1 67 ARG QD 1.800 . 6.000 3.335 2.272 4.348 . 0 0 "[ . 1 . 2]" 1
484 1 31 VAL QG 1 66 PHE H 1.800 . 6.300 5.550 4.121 6.263 . 0 0 "[ . 1 . 2]" 1
485 1 31 VAL QG 1 67 ARG QG 1.800 . 6.000 3.713 1.999 4.596 . 0 0 "[ . 1 . 2]" 1
486 1 31 VAL QG 1 67 ARG QD 1.800 . 6.000 2.471 1.958 3.207 . 0 0 "[ . 1 . 2]" 1
487 1 31 VAL QG 1 68 SER H 1.800 . 6.000 5.435 4.433 6.033 0.033 4 0 "[ . 1 . 2]" 1
488 1 30 LEU QB 1 32 ASP H 1.800 . 6.000 4.875 4.710 5.003 . 0 0 "[ . 1 . 2]" 1
489 1 31 VAL QG 1 32 ASP H 1.800 . 3.500 2.345 1.797 3.278 0.003 7 0 "[ . 1 . 2]" 1
490 1 32 ASP H 1 33 ASN H 1.800 . 3.500 2.626 2.575 2.693 . 0 0 "[ . 1 . 2]" 1
491 1 32 ASP H 1 33 ASN QB 1.800 . 5.000 4.754 4.709 4.825 . 0 0 "[ . 1 . 2]" 1
492 1 32 ASP H 1 34 GLY H 1.800 . 5.000 4.000 3.944 4.053 . 0 0 "[ . 1 . 2]" 1
493 1 32 ASP H 1 67 ARG QD 1.800 . 6.300 6.261 5.818 6.415 0.115 2 0 "[ . 1 . 2]" 1
494 1 33 ASN H 1 33 ASN HA 1.800 . 2.900 2.939 2.934 2.950 0.050 18 0 "[ . 1 . 2]" 1
495 1 33 ASN HA 1 33 ASN HB2 1.800 . 2.900 3.024 3.022 3.027 0.127 16 0 "[ . 1 . 2]" 1
496 1 32 ASP HA 1 33 ASN H 1.800 . 3.500 3.511 3.503 3.526 0.026 18 0 "[ . 1 . 2]" 1
497 1 32 ASP QB 1 33 ASN H 1.800 . 3.500 2.622 2.589 2.648 . 0 0 "[ . 1 . 2]" 1
498 1 33 ASN H 1 34 GLY H 1.800 . 2.900 2.707 2.651 2.755 . 0 0 "[ . 1 . 2]" 1
499 1 33 ASN H 1 35 VAL H 1.800 . 6.000 4.745 4.696 4.816 . 0 0 "[ . 1 . 2]" 1
500 1 33 ASN H 1 35 VAL HB 1.800 . 7.000 6.283 6.175 6.527 . 0 0 "[ . 1 . 2]" 1
501 1 28 LEU QD 1 33 ASN HB3 1.800 . 6.300 6.158 5.619 6.371 0.071 7 0 "[ . 1 . 2]" 1
502 1 28 LEU QD 1 33 ASN HB2 1.800 . 8.000 5.405 4.859 5.611 . 0 0 "[ . 1 . 2]" 1
503 1 33 ASN HB3 1 34 GLY QA 1.800 . 6.000 4.923 4.850 5.018 . 0 0 "[ . 1 . 2]" 1
504 1 33 ASN HB2 1 34 GLY QA 1.800 . 5.000 4.418 4.362 4.509 . 0 0 "[ . 1 . 2]" 1
505 1 33 ASN HB3 1 36 ILE H 1.800 . 6.000 3.714 3.535 3.867 . 0 0 "[ . 1 . 2]" 1
506 1 33 ASN HB2 1 36 ILE H 1.800 . 6.000 4.435 4.244 4.568 . 0 0 "[ . 1 . 2]" 1
507 1 31 VAL HA 1 34 GLY H 1.800 . 3.500 3.531 3.434 3.602 0.102 20 0 "[ . 1 . 2]" 1
508 1 31 VAL QG 1 34 GLY H 1.800 . 5.000 3.776 3.671 3.940 . 0 0 "[ . 1 . 2]" 1
509 1 32 ASP HA 1 34 GLY H 1.800 . 5.000 3.434 3.302 3.560 . 0 0 "[ . 1 . 2]" 1
510 1 33 ASN HB3 1 34 GLY H 1.800 . 5.000 4.450 4.422 4.498 . 0 0 "[ . 1 . 2]" 1
511 1 33 ASN HB2 1 34 GLY H 1.800 . 5.000 3.875 3.818 3.947 . 0 0 "[ . 1 . 2]" 1
512 1 33 ASN HA 1 34 GLY H 1.800 . 3.500 3.077 3.034 3.111 . 0 0 "[ . 1 . 2]" 1
513 1 34 GLY H 1 35 VAL H 1.800 . 5.000 2.879 2.850 2.935 . 0 0 "[ . 1 . 2]" 1
514 1 34 GLY QA 1 35 VAL H 1.800 . 2.900 2.904 2.886 2.917 0.017 20 0 "[ . 1 . 2]" 1
515 1 35 VAL H 1 35 VAL HB 1.800 . 3.500 2.448 2.309 2.485 . 0 0 "[ . 1 . 2]" 1
516 1 35 VAL HA 1 35 VAL MG1 1.800 . 2.900 2.521 2.379 3.156 0.256 9 0 "[ . 1 . 2]" 1
517 1 35 VAL HA 1 35 VAL MG2 1.800 . 2.900 2.314 2.196 2.350 . 0 0 "[ . 1 . 2]" 1
518 1 35 VAL H 1 35 VAL MG2 1.800 . 4.300 2.438 2.130 3.730 . 0 0 "[ . 1 . 2]" 1
519 1 35 VAL H 1 35 VAL MG1 1.800 . 4.300 3.579 2.460 3.774 . 0 0 "[ . 1 . 2]" 1
520 1 31 VAL HA 1 35 VAL H 1.800 . 6.000 6.058 6.013 6.091 0.091 11 0 "[ . 1 . 2]" 1
521 1 32 ASP H 1 35 VAL H 1.800 . 7.000 6.722 6.650 6.802 . 0 0 "[ . 1 . 2]" 1
522 1 33 ASN HA 1 35 VAL H 1.800 . 5.000 2.924 2.880 2.994 . 0 0 "[ . 1 . 2]" 1
523 1 33 ASN HB3 1 35 VAL H 1.800 . 6.000 4.088 3.974 4.207 . 0 0 "[ . 1 . 2]" 1
524 1 33 ASN HB2 1 35 VAL H 1.800 . 6.000 4.616 4.566 4.706 . 0 0 "[ . 1 . 2]" 1
525 1 33 ASN QD 1 35 VAL H 1.800 . 6.000 5.825 4.795 6.182 0.182 2 0 "[ . 1 . 2]" 1
526 1 35 VAL H 1 36 ILE H 1.800 . 2.900 2.756 2.725 2.785 . 0 0 "[ . 1 . 2]" 1
527 1 35 VAL H 1 36 ILE HB 1.800 . 6.300 4.977 4.805 6.322 0.022 20 0 "[ . 1 . 2]" 1
528 1 35 VAL H 1 36 ILE QG 1.800 . 6.300 6.218 3.938 6.369 0.069 3 0 "[ . 1 . 2]" 1
529 1 35 VAL H 1 38 SER H 1.800 . 7.000 5.793 5.469 6.313 . 0 0 "[ . 1 . 2]" 1
530 1 35 VAL H 1 39 LEU QB 1.800 . 7.000 6.666 6.437 6.937 . 0 0 "[ . 1 . 2]" 1
531 1 35 VAL HA 1 37 ASP H 1.800 . 5.000 3.929 3.576 4.121 . 0 0 "[ . 1 . 2]" 1
532 1 35 VAL HA 1 39 LEU H 1.800 . 5.000 4.537 4.207 5.035 0.035 20 0 "[ . 1 . 2]" 1
533 1 35 VAL HA 1 38 SER H 1.800 . 5.000 4.116 3.927 4.524 . 0 0 "[ . 1 . 2]" 1
534 1 35 VAL HB 1 36 ILE H 1.800 . 5.000 2.847 2.601 3.794 . 0 0 "[ . 1 . 2]" 1
535 1 15 PHE HA 1 35 VAL QG 1.800 . 6.300 6.031 5.424 6.352 0.052 8 0 "[ . 1 . 2]" 1
536 1 15 PHE HB3 1 35 VAL QG 1.800 . 6.000 4.988 4.301 5.338 . 0 0 "[ . 1 . 2]" 1
537 1 15 PHE HB2 1 35 VAL QG 1.800 . 6.000 5.592 4.498 6.091 0.091 3 0 "[ . 1 . 2]" 1
538 1 15 PHE QD 1 35 VAL QG 1.800 . 6.000 4.211 3.546 5.396 . 0 0 "[ . 1 . 2]" 1
539 1 35 VAL QG 1 36 ILE H 1.800 . 5.000 2.991 1.830 3.245 . 0 0 "[ . 1 . 2]" 1
540 1 36 ILE HA 1 36 ILE MG 1.800 . 3.500 3.115 2.331 3.173 . 0 0 "[ . 1 . 2]" 1
541 1 36 ILE H 1 36 ILE HB 1.800 . 3.500 2.398 2.292 3.611 0.111 20 0 "[ . 1 . 2]" 1
542 1 36 ILE H 1 36 ILE HG13 1.800 . 5.000 4.262 3.217 4.424 . 0 0 "[ . 1 . 2]" 1
543 1 36 ILE H 1 36 ILE HG12 1.800 . 5.000 4.361 2.018 4.525 . 0 0 "[ . 1 . 2]" 1
544 1 36 ILE HA 1 36 ILE HG13 1.800 . 3.500 2.640 2.429 3.676 0.176 20 0 "[ . 1 . 2]" 1
545 1 36 ILE H 1 36 ILE MG 1.800 . 5.000 2.399 2.151 2.511 . 0 0 "[ . 1 . 2]" 1
546 1 36 ILE HG13 1 36 ILE MG 1.800 . 3.500 3.168 3.131 3.189 . 0 0 "[ . 1 . 2]" 1
547 1 36 ILE HG12 1 36 ILE MG 1.800 . 3.500 2.455 2.287 2.610 . 0 0 "[ . 1 . 2]" 1
548 1 36 ILE HA 1 36 ILE MD 1.800 . 5.000 3.790 3.756 4.099 . 0 0 "[ . 1 . 2]" 1
549 1 36 ILE HB 1 36 ILE MD 1.800 . 2.900 2.459 2.264 2.628 . 0 0 "[ . 1 . 2]" 1
550 1 36 ILE H 1 36 ILE MD 1.800 . 5.000 4.264 3.580 4.334 . 0 0 "[ . 1 . 2]" 1
551 1 31 VAL HA 1 36 ILE H 1.800 . 7.000 6.844 6.396 6.949 . 0 0 "[ . 1 . 2]" 1
552 1 33 ASN HA 1 36 ILE H 1.800 . 6.000 4.296 4.108 4.458 . 0 0 "[ . 1 . 2]" 1
553 1 34 GLY QA 1 36 ILE H 1.800 . 5.000 3.581 3.412 3.676 . 0 0 "[ . 1 . 2]" 1
554 1 34 GLY H 1 36 ILE H 1.800 . 6.000 4.657 4.573 4.741 . 0 0 "[ . 1 . 2]" 1
555 1 35 VAL HA 1 36 ILE H 1.800 . 6.000 3.528 3.505 3.547 . 0 0 "[ . 1 . 2]" 1
556 1 36 ILE H 1 39 LEU QB 1.800 . 6.000 5.480 5.326 5.701 . 0 0 "[ . 1 . 2]" 1
557 1 35 VAL H 1 36 ILE HA 1.800 . 6.000 5.408 5.372 5.429 . 0 0 "[ . 1 . 2]" 1
558 1 36 ILE HA 1 37 ASP H 1.800 . 5.000 3.457 3.335 3.491 . 0 0 "[ . 1 . 2]" 1
559 1 36 ILE HA 1 42 LEU H 1.800 . 6.000 5.710 5.181 5.885 . 0 0 "[ . 1 . 2]" 1
560 1 35 VAL MG1 1 36 ILE HB 1.800 . 6.000 4.154 2.885 4.385 . 0 0 "[ . 1 . 2]" 1
561 1 35 VAL MG2 1 36 ILE HB 1.800 . 6.300 5.520 5.082 6.031 . 0 0 "[ . 1 . 2]" 1
562 1 36 ILE HB 1 42 LEU H 1.800 . 8.000 7.856 5.493 8.085 0.085 19 0 "[ . 1 . 2]" 1
563 1 36 ILE QG 1 41 LEU QD 1.800 . 6.000 4.478 2.897 4.939 . 0 0 "[ . 1 . 2]" 1
564 1 36 ILE QG 1 42 LEU H 1.800 . 6.300 5.337 5.024 6.333 0.033 20 0 "[ . 1 . 2]" 1
565 1 35 VAL H 1 36 ILE MG 1.800 . 6.000 4.279 4.036 4.428 . 0 0 "[ . 1 . 2]" 1
566 1 36 ILE MG 1 37 ASP H 1.800 . 5.000 2.268 2.076 4.040 . 0 0 "[ . 1 . 2]" 1
567 1 36 ILE MG 1 40 GLY QA 1.800 . 6.000 3.993 2.348 4.150 . 0 0 "[ . 1 . 2]" 1
568 1 36 ILE MG 1 41 LEU H 1.800 . 5.000 4.077 3.984 4.151 . 0 0 "[ . 1 . 2]" 1
569 1 36 ILE MG 1 41 LEU QB 1.800 . 6.000 3.911 3.691 5.356 . 0 0 "[ . 1 . 2]" 1
570 1 36 ILE MG 1 41 LEU HG 1.800 . 6.000 5.573 3.358 6.085 0.085 16 0 "[ . 1 . 2]" 1
571 1 36 ILE MG 1 41 LEU QD 1.800 . 6.000 4.092 3.546 4.583 . 0 0 "[ . 1 . 2]" 1
572 1 36 ILE MG 1 42 LEU H 1.800 . 6.300 6.359 6.203 6.441 0.141 8 0 "[ . 1 . 2]" 1
573 1 36 ILE MG 1 44 VAL QG 1.800 . 5.000 4.216 3.815 4.497 . 0 0 "[ . 1 . 2]" 1
574 1 36 ILE MG 1 66 PHE QD 1.800 . 6.000 3.916 2.581 6.017 0.017 20 0 "[ . 1 . 2]" 1
575 1 30 LEU HG 1 36 ILE MD 1.800 . 6.000 5.237 4.206 5.540 . 0 0 "[ . 1 . 2]" 1
576 1 36 ILE MD 1 41 LEU QB 1.800 . 5.000 4.619 3.977 4.943 . 0 0 "[ . 1 . 2]" 1
577 1 36 ILE MD 1 41 LEU QD 1.800 . 5.000 4.512 3.114 5.076 0.076 8 0 "[ . 1 . 2]" 1
578 1 36 ILE MD 1 42 LEU H 1.800 . 7.000 6.507 6.126 6.871 . 0 0 "[ . 1 . 2]" 1
579 1 36 ILE MD 1 44 VAL QG 1.800 . 5.000 2.869 2.317 3.947 . 0 0 "[ . 1 . 2]" 1
580 1 36 ILE MD 1 66 PHE QD 1.800 . 5.000 4.461 3.118 5.050 0.050 13 0 "[ . 1 . 2]" 1
581 1 37 ASP H 1 37 ASP HB2 1.800 . 3.500 2.520 2.398 2.557 . 0 0 "[ . 1 . 2]" 1
582 1 36 ILE HB 1 37 ASP H 1.800 . 5.000 3.922 3.825 4.231 . 0 0 "[ . 1 . 2]" 1
583 1 36 ILE H 1 37 ASP H 1.800 . 5.000 2.551 2.505 2.573 . 0 0 "[ . 1 . 2]" 1
584 1 36 ILE HG13 1 37 ASP H 1.800 . 6.000 5.140 3.055 5.362 . 0 0 "[ . 1 . 2]" 1
585 1 36 ILE HG12 1 37 ASP H 1.800 . 5.000 4.415 3.122 4.606 . 0 0 "[ . 1 . 2]" 1
586 1 37 ASP HA 1 41 LEU H 1.800 . 6.000 4.091 3.776 4.513 . 0 0 "[ . 1 . 2]" 1
587 1 37 ASP HA 1 38 SER H 1.800 . 3.500 3.544 3.490 3.581 0.081 13 0 "[ . 1 . 2]" 1
588 1 37 ASP HB3 1 38 SER H 1.800 . 5.000 3.735 2.794 3.976 . 0 0 "[ . 1 . 2]" 1
589 1 37 ASP HB2 1 38 SER H 1.800 . 5.000 2.900 2.603 3.939 . 0 0 "[ . 1 . 2]" 1
590 1 37 ASP H 1 38 SER H 1.800 . 5.000 2.850 2.728 2.965 . 0 0 "[ . 1 . 2]" 1
591 1 38 SER H 1 39 LEU H 1.800 . 5.000 2.496 2.189 2.598 . 0 0 "[ . 1 . 2]" 1
592 1 38 SER H 1 39 LEU HA 1.800 . 5.000 5.031 4.863 5.105 0.105 19 0 "[ . 1 . 2]" 1
593 1 38 SER H 1 40 GLY QA 1.800 . 6.000 5.034 4.922 5.246 . 0 0 "[ . 1 . 2]" 1
594 1 38 SER HA 1 40 GLY H 1.800 . 6.000 5.015 4.903 5.186 . 0 0 "[ . 1 . 2]" 1
595 1 38 SER HA 1 41 LEU HB3 1.800 . 6.000 2.841 2.364 4.553 . 0 0 "[ . 1 . 2]" 1
596 1 38 SER HA 1 41 LEU HB2 1.800 . 6.000 3.690 3.060 4.005 . 0 0 "[ . 1 . 2]" 1
597 1 38 SER HA 1 41 LEU H 1.800 . 6.000 3.967 3.740 4.325 . 0 0 "[ . 1 . 2]" 1
598 1 38 SER HA 1 41 LEU QB 1.800 . 5.000 2.680 2.335 3.248 . 0 0 "[ . 1 . 2]" 1
599 1 38 SER HA 1 41 LEU MD1 1.800 . 5.000 4.165 3.483 5.074 0.074 16 0 "[ . 1 . 2]" 1
600 1 39 LEU HA 1 39 LEU HB3 1.800 . 2.900 2.771 2.406 3.021 0.121 8 0 "[ . 1 . 2]" 1
601 1 39 LEU HA 1 39 LEU HB2 1.800 . 2.900 2.749 2.441 3.019 0.119 11 0 "[ . 1 . 2]" 1
602 1 39 LEU HA 1 39 LEU MD2 1.800 . 3.500 3.371 2.015 3.761 0.261 5 0 "[ . 1 . 2]" 1
603 1 39 LEU HA 1 39 LEU MD1 1.800 . 3.500 3.011 2.031 3.690 0.190 7 0 "[ . 1 . 2]" 1
604 1 39 LEU H 1 39 LEU HB3 1.800 . 4.300 3.102 2.525 3.621 . 0 0 "[ . 1 . 2]" 1
605 1 39 LEU H 1 39 LEU HB2 1.800 . 4.300 2.469 2.326 2.648 . 0 0 "[ . 1 . 2]" 1
606 1 39 LEU H 1 39 LEU HG 1.800 . 5.000 3.785 1.976 4.462 . 0 0 "[ . 1 . 2]" 1
607 1 39 LEU HB3 1 39 LEU QD 1.800 . 2.900 2.141 2.060 2.356 . 0 0 "[ . 1 . 2]" 1
608 1 39 LEU HB2 1 39 LEU QD 1.800 . 2.900 2.110 2.011 2.387 . 0 0 "[ . 1 . 2]" 1
609 1 39 LEU QD 1 39 LEU HG 1.800 . 5.000 1.909 1.894 1.917 . 0 0 "[ . 1 . 2]" 1
610 1 39 LEU H 1 39 LEU QD 1.800 . 6.000 2.787 1.737 3.761 0.063 20 0 "[ . 1 . 2]" 1
611 1 39 LEU HB3 1 39 LEU HG 1.800 . 2.900 2.732 2.439 3.014 0.114 7 0 "[ . 1 . 2]" 1
612 1 39 LEU HB2 1 39 LEU HG 1.800 . 2.900 2.847 2.380 3.027 0.127 4 0 "[ . 1 . 2]" 1
613 1 39 LEU QB 1 40 GLY H 1.800 . 5.000 2.328 2.244 2.388 . 0 0 "[ . 1 . 2]" 1
614 1 39 LEU H 1 40 GLY H 1.800 . 5.000 2.795 2.684 2.837 . 0 0 "[ . 1 . 2]" 1
615 1 38 SER HA 1 39 LEU H 1.800 . 3.500 3.587 3.579 3.592 0.092 8 0 "[ . 1 . 2]" 1
616 1 39 LEU HA 1 42 LEU H 1.800 . 5.000 3.838 3.748 3.959 . 0 0 "[ . 1 . 2]" 1
617 1 39 LEU HA 1 43 LYS H 1.800 . 6.000 4.588 4.427 4.743 . 0 0 "[ . 1 . 2]" 1
618 1 39 LEU H 1 43 LYS H 1.800 . 6.300 6.334 6.195 6.430 0.130 5 0 "[ . 1 . 2]" 1
619 1 39 LEU H 1 42 LEU H 1.800 . 6.000 4.741 4.584 4.910 . 0 0 "[ . 1 . 2]" 1
620 1 36 ILE MG 1 40 GLY H 1.800 . 6.000 4.635 3.470 4.761 . 0 0 "[ . 1 . 2]" 1
621 1 36 ILE MG 1 40 GLY HA3 1.800 . 6.000 4.098 2.373 4.263 . 0 0 "[ . 1 . 2]" 1
622 1 36 ILE MG 1 40 GLY HA2 1.800 . 6.000 5.527 3.731 5.707 . 0 0 "[ . 1 . 2]" 1
623 1 39 LEU H 1 40 GLY HA3 1.800 . 5.000 5.103 4.977 5.145 0.145 6 0 "[ . 1 . 2]" 1
624 1 39 LEU H 1 40 GLY HA2 1.800 . 6.000 5.412 5.324 5.443 . 0 0 "[ . 1 . 2]" 1
625 1 39 LEU QB 1 40 GLY HA3 1.800 . 5.000 4.161 4.047 4.235 . 0 0 "[ . 1 . 2]" 1
626 1 39 LEU QB 1 40 GLY HA2 1.800 . 5.000 4.002 3.846 4.194 . 0 0 "[ . 1 . 2]" 1
627 1 40 GLY HA3 1 43 LYS QD 1.800 . 5.000 4.522 4.240 4.815 . 0 0 "[ . 1 . 2]" 1
628 1 40 GLY HA2 1 43 LYS QD 1.800 . 5.000 2.960 2.746 3.193 . 0 0 "[ . 1 . 2]" 1
629 1 37 ASP H 1 40 GLY H 1.800 . 6.000 4.681 4.499 4.778 . 0 0 "[ . 1 . 2]" 1
630 1 40 GLY HA3 1 42 LEU H 1.800 . 5.000 4.754 4.662 4.878 . 0 0 "[ . 1 . 2]" 1
631 1 40 GLY HA2 1 42 LEU H 1.800 . 5.000 4.346 4.265 4.471 . 0 0 "[ . 1 . 2]" 1
632 1 40 GLY HA3 1 43 LYS H 1.800 . 5.000 4.637 4.543 4.813 . 0 0 "[ . 1 . 2]" 1
633 1 40 GLY HA2 1 43 LYS H 1.800 . 5.000 3.380 3.257 3.603 . 0 0 "[ . 1 . 2]" 1
634 1 38 SER H 1 40 GLY H 1.800 . 5.000 3.594 3.491 3.698 . 0 0 "[ . 1 . 2]" 1
635 1 39 LEU HB3 1 40 GLY H 1.800 . 3.500 2.827 2.300 3.517 0.017 7 0 "[ . 1 . 2]" 1
636 1 39 LEU HB2 1 40 GLY H 1.800 . 5.000 3.059 2.270 3.758 . 0 0 "[ . 1 . 2]" 1
637 1 39 LEU QD 1 40 GLY H 1.800 . 5.000 3.366 2.706 3.877 . 0 0 "[ . 1 . 2]" 1
638 1 39 LEU HA 1 40 GLY H 1.800 . 3.500 3.562 3.556 3.574 0.074 20 0 "[ . 1 . 2]" 1
639 1 39 LEU HG 1 40 GLY H 1.800 . 5.000 4.344 3.387 4.855 . 0 0 "[ . 1 . 2]" 1
640 1 40 GLY H 1 41 LEU H 1.800 . 2.900 2.586 2.554 2.675 . 0 0 "[ . 1 . 2]" 1
641 1 40 GLY H 1 41 LEU HA 1.800 . 6.000 5.238 5.207 5.306 . 0 0 "[ . 1 . 2]" 1
642 1 37 ASP QB 1 40 GLY H 1.800 . 6.000 5.766 5.603 5.942 . 0 0 "[ . 1 . 2]" 1
643 1 40 GLY H 1 42 LEU H 1.800 . 5.000 4.222 4.088 4.377 . 0 0 "[ . 1 . 2]" 1
644 1 40 GLY H 1 44 VAL H 1.800 . 6.000 5.989 5.818 6.119 0.119 14 0 "[ . 1 . 2]" 1
645 1 41 LEU HA 1 41 LEU QD 1.800 . 3.500 2.713 2.081 3.095 . 0 0 "[ . 1 . 2]" 1
646 1 41 LEU H 1 41 LEU QB 1.800 . 3.500 2.253 2.090 2.285 . 0 0 "[ . 1 . 2]" 1
647 1 41 LEU QB 1 41 LEU QD 1.800 . 2.900 1.867 1.852 1.903 . 0 0 "[ . 1 . 2]" 1
648 1 41 LEU H 1 41 LEU HG 1.800 . 5.000 4.282 2.750 4.476 . 0 0 "[ . 1 . 2]" 1
649 1 41 LEU QD 1 41 LEU HG 1.800 . 2.900 1.903 1.878 1.918 . 0 0 "[ . 1 . 2]" 1
650 1 41 LEU H 1 41 LEU QD 1.800 . 5.000 3.683 3.366 3.759 . 0 0 "[ . 1 . 2]" 1
651 1 36 ILE MG 1 41 LEU HA 1.800 . 5.000 4.590 4.354 5.137 0.137 20 0 "[ . 1 . 2]" 1
652 1 37 ASP H 1 41 LEU H 1.800 . 6.000 4.580 4.512 4.742 . 0 0 "[ . 1 . 2]" 1
653 1 39 LEU QD 1 41 LEU H 1.800 . 5.000 4.892 4.573 5.114 0.114 20 0 "[ . 1 . 2]" 1
654 1 39 LEU HA 1 41 LEU H 1.800 . 5.000 4.594 4.448 4.799 . 0 0 "[ . 1 . 2]" 1
655 1 39 LEU H 1 41 LEU H 1.800 . 5.000 3.993 3.899 4.137 . 0 0 "[ . 1 . 2]" 1
656 1 40 GLY HA3 1 41 LEU H 1.800 . 2.900 2.856 2.797 2.900 . 0 0 "[ . 1 . 2]" 1
657 1 40 GLY HA2 1 41 LEU H 1.800 . 3.500 3.543 3.526 3.565 0.065 20 0 "[ . 1 . 2]" 1
658 1 41 LEU H 1 42 LEU H 1.800 . 3.500 2.763 2.703 2.832 . 0 0 "[ . 1 . 2]" 1
659 1 41 LEU QB 1 42 LEU H 1.800 . 4.300 2.543 2.478 2.751 . 0 0 "[ . 1 . 2]" 1
660 1 41 LEU QD 1 42 LEU HA 1.800 . 5.000 3.254 2.468 4.815 . 0 0 "[ . 1 . 2]" 1
661 1 41 LEU QD 1 42 LEU HG 1.800 . 6.300 4.571 2.536 6.459 0.159 20 0 "[ . 1 . 2]" 1
662 1 41 LEU HA 1 44 VAL QG 1.800 . 3.500 2.620 2.230 3.086 . 0 0 "[ . 1 . 2]" 1
663 1 41 LEU HA 1 44 VAL H 1.800 . 5.000 3.331 3.129 3.537 . 0 0 "[ . 1 . 2]" 1
664 1 41 LEU HA 1 44 VAL HB 1.800 . 5.000 2.431 2.273 2.730 . 0 0 "[ . 1 . 2]" 1
665 1 41 LEU HG 1 45 ILE MD 1.800 . 5.000 2.811 2.068 4.292 . 0 0 "[ . 1 . 2]" 1
666 1 41 LEU MD1 1 61 LEU HB3 1.800 . 6.000 4.913 3.164 6.022 0.022 2 0 "[ . 1 . 2]" 1
667 1 41 LEU MD1 1 61 LEU HB2 1.800 . 6.000 5.115 3.067 6.105 0.105 7 0 "[ . 1 . 2]" 1
668 1 41 LEU H 1 43 LYS H 1.800 . 5.000 4.265 4.205 4.327 . 0 0 "[ . 1 . 2]" 1
669 1 41 LEU MD1 1 66 PHE QB 1.800 . 6.000 4.860 3.651 6.054 0.054 10 0 "[ . 1 . 2]" 1
670 1 42 LEU HA 1 42 LEU MD1 1.800 . 5.000 2.896 2.126 3.832 . 0 0 "[ . 1 . 2]" 1
671 1 42 LEU HA 1 42 LEU MD2 1.800 . 5.000 3.116 2.062 3.854 . 0 0 "[ . 1 . 2]" 1
672 1 42 LEU H 1 42 LEU HB3 1.800 . 3.500 3.024 2.602 3.618 0.118 19 0 "[ . 1 . 2]" 1
673 1 42 LEU H 1 42 LEU HB2 1.800 . 3.500 2.471 2.426 2.520 . 0 0 "[ . 1 . 2]" 1
674 1 42 LEU HA 1 42 LEU HG 1.800 . 3.500 2.787 2.240 2.948 . 0 0 "[ . 1 . 2]" 1
675 1 42 LEU H 1 42 LEU HG 1.800 . 5.000 3.581 2.203 4.481 . 0 0 "[ . 1 . 2]" 1
676 1 42 LEU HB3 1 42 LEU MD1 1.800 . 2.900 2.807 2.309 3.170 0.270 4 0 "[ . 1 . 2]" 1
677 1 42 LEU HB2 1 42 LEU MD1 1.800 . 3.500 2.216 2.150 2.329 . 0 0 "[ . 1 . 2]" 1
678 1 42 LEU HB3 1 42 LEU MD2 1.800 . 2.900 2.220 2.130 2.281 . 0 0 "[ . 1 . 2]" 1
679 1 42 LEU HB2 1 42 LEU MD2 1.800 . 2.900 2.793 2.402 3.165 0.265 13 0 "[ . 1 . 2]" 1
680 1 39 LEU HA 1 42 LEU HB2 1.800 . 6.000 3.702 3.377 4.140 . 0 0 "[ . 1 . 2]" 1
681 1 39 LEU HA 1 42 LEU HB3 1.800 . 6.000 4.087 3.256 5.221 . 0 0 "[ . 1 . 2]" 1
682 1 41 LEU HA 1 42 LEU H 1.800 . 3.500 3.556 3.545 3.571 0.071 16 0 "[ . 1 . 2]" 1
683 1 41 LEU QD 1 42 LEU H 1.800 . 5.000 3.321 2.641 4.106 . 0 0 "[ . 1 . 2]" 1
684 1 42 LEU QB 1 43 LYS H 1.800 . 5.000 2.474 2.453 2.511 . 0 0 "[ . 1 . 2]" 1
685 1 42 LEU H 1 43 LYS H 1.800 . 3.500 2.713 2.658 2.764 . 0 0 "[ . 1 . 2]" 1
686 1 42 LEU H 1 44 VAL H 1.800 . 5.000 4.020 3.912 4.124 . 0 0 "[ . 1 . 2]" 1
687 1 42 LEU HA 1 45 ILE MD 1.800 . 6.000 3.916 2.565 5.291 . 0 0 "[ . 1 . 2]" 1
688 1 42 LEU HA 1 45 ILE MG 1.800 . 6.000 4.145 3.606 4.919 . 0 0 "[ . 1 . 2]" 1
689 1 42 LEU QD 1 43 LYS HA 1.800 . 5.000 4.444 2.812 5.064 0.064 19 0 "[ . 1 . 2]" 1
690 1 42 LEU QB 1 43 LYS HA 1.800 . 5.000 4.031 3.898 4.130 . 0 0 "[ . 1 . 2]" 1
691 1 43 LYS H 1 43 LYS HA 1.800 . 2.900 2.869 2.853 2.887 . 0 0 "[ . 1 . 2]" 1
692 1 43 LYS HA 1 43 LYS HB3 1.800 . 2.900 2.494 2.492 2.503 . 0 0 "[ . 1 . 2]" 1
693 1 43 LYS HA 1 43 LYS HB2 1.800 . 2.900 3.022 3.020 3.025 0.125 5 0 "[ . 1 . 2]" 1
694 1 43 LYS H 1 43 LYS HB3 1.800 . 3.500 3.600 3.596 3.606 0.106 5 0 "[ . 1 . 2]" 1
695 1 43 LYS H 1 43 LYS HB2 1.800 . 3.500 2.443 2.427 2.465 . 0 0 "[ . 1 . 2]" 1
696 1 43 LYS HA 1 43 LYS QD 1.800 . 5.000 3.927 3.909 4.168 . 0 0 "[ . 1 . 2]" 1
697 1 43 LYS HB3 1 43 LYS QD 1.800 . 3.500 2.395 2.365 2.813 . 0 0 "[ . 1 . 2]" 1
698 1 43 LYS HB2 1 43 LYS QD 1.800 . 3.500 2.417 2.387 2.429 . 0 0 "[ . 1 . 2]" 1
699 1 43 LYS H 1 43 LYS HG3 1.800 . 5.000 2.224 2.183 2.271 . 0 0 "[ . 1 . 2]" 1
700 1 43 LYS H 1 43 LYS HG2 1.800 . 5.000 3.388 3.343 3.429 . 0 0 "[ . 1 . 2]" 1
701 1 43 LYS QD 1 43 LYS QE 1.800 . 2.900 2.059 1.993 2.108 . 0 0 "[ . 1 . 2]" 1
702 1 43 LYS HB2 1 43 LYS QE 1.800 . 5.000 3.973 3.154 4.229 . 0 0 "[ . 1 . 2]" 1
703 1 43 LYS HB3 1 43 LYS QE 1.800 . 5.000 3.965 2.189 4.195 . 0 0 "[ . 1 . 2]" 1
704 1 43 LYS QE 1 43 LYS HG3 1.800 . 3.500 2.505 2.253 3.322 . 0 0 "[ . 1 . 2]" 1
705 1 43 LYS QE 1 43 LYS HG2 1.800 . 3.500 2.527 2.236 3.077 . 0 0 "[ . 1 . 2]" 1
706 1 43 LYS H 1 43 LYS QD 1.800 . 5.000 3.849 3.724 3.870 . 0 0 "[ . 1 . 2]" 1
707 1 43 LYS H 1 43 LYS QE 1.800 . 5.000 4.438 4.241 4.927 . 0 0 "[ . 1 . 2]" 1
708 1 40 GLY HA2 1 43 LYS HB2 1.800 . 5.000 2.758 2.553 3.021 . 0 0 "[ . 1 . 2]" 1
709 1 43 LYS H 1 44 VAL H 1.800 . 2.900 2.606 2.555 2.655 . 0 0 "[ . 1 . 2]" 1
710 1 41 LEU HA 1 43 LYS H 1.800 . 5.000 4.484 4.380 4.598 . 0 0 "[ . 1 . 2]" 1
711 1 42 LEU HB3 1 43 LYS H 1.800 . 5.000 2.906 2.485 3.541 . 0 0 "[ . 1 . 2]" 1
712 1 42 LEU HB2 1 43 LYS H 1.800 . 5.000 3.290 2.527 3.801 . 0 0 "[ . 1 . 2]" 1
713 1 42 LEU HA 1 43 LYS H 1.800 . 5.000 3.564 3.557 3.569 . 0 0 "[ . 1 . 2]" 1
714 1 42 LEU HG 1 43 LYS H 1.800 . 5.000 4.065 3.753 4.440 . 0 0 "[ . 1 . 2]" 1
715 1 42 LEU MD1 1 43 LYS H 1.800 . 5.000 4.565 4.307 4.749 . 0 0 "[ . 1 . 2]" 1
716 1 42 LEU MD2 1 43 LYS H 1.800 . 5.000 4.234 3.220 4.691 . 0 0 "[ . 1 . 2]" 1
717 1 43 LYS H 1 46 ALA MB 1.800 . 6.000 5.206 4.911 5.504 . 0 0 "[ . 1 . 2]" 1
718 1 44 VAL HA 1 44 VAL MG2 1.800 . 3.500 2.295 2.230 2.365 . 0 0 "[ . 1 . 2]" 1
719 1 44 VAL HA 1 44 VAL MG1 1.800 . 3.500 2.382 2.339 2.413 . 0 0 "[ . 1 . 2]" 1
720 1 44 VAL H 1 44 VAL HB 1.800 . 3.500 2.445 2.405 2.463 . 0 0 "[ . 1 . 2]" 1
721 1 44 VAL H 1 44 VAL MG1 1.800 . 5.000 3.758 3.744 3.765 . 0 0 "[ . 1 . 2]" 1
722 1 44 VAL H 1 44 VAL MG2 1.800 . 2.900 2.325 2.213 2.420 . 0 0 "[ . 1 . 2]" 1
723 1 44 VAL HA 1 47 TRP HE1 1.800 . 7.000 7.032 6.906 7.124 0.124 9 0 "[ . 1 . 2]" 1
724 1 43 LYS HB2 1 44 VAL QG 1.800 . 5.000 3.307 3.188 3.500 . 0 0 "[ . 1 . 2]" 1
725 1 43 LYS HB3 1 44 VAL QG 1.800 . 5.000 4.093 3.929 4.264 . 0 0 "[ . 1 . 2]" 1
726 1 44 VAL HB 1 45 ILE H 1.800 . 3.500 2.603 2.450 2.689 . 0 0 "[ . 1 . 2]" 1
727 1 44 VAL QG 1 47 TRP HE3 1.800 . 5.000 2.410 2.178 2.880 . 0 0 "[ . 1 . 2]" 1
728 1 44 VAL QG 1 47 TRP HH2 1.800 . 6.000 4.957 4.280 5.295 . 0 0 "[ . 1 . 2]" 1
729 1 44 VAL HA 1 47 TRP QB 1.800 . 5.000 2.287 2.215 2.535 . 0 0 "[ . 1 . 2]" 1
730 1 44 VAL HA 1 47 TRP HH2 1.800 . 7.000 6.809 6.484 7.041 0.041 18 0 "[ . 1 . 2]" 1
731 1 44 VAL HA 1 45 ILE H 1.800 . 3.500 3.565 3.546 3.595 0.095 3 0 "[ . 1 . 2]" 1
732 1 44 VAL HA 1 47 TRP H 1.800 . 5.000 3.425 3.374 3.534 . 0 0 "[ . 1 . 2]" 1
733 1 44 VAL H 1 46 ALA H 1.800 . 5.000 4.436 4.288 4.523 . 0 0 "[ . 1 . 2]" 1
734 1 44 VAL H 1 47 TRP H 1.800 . 5.000 4.656 4.471 4.880 . 0 0 "[ . 1 . 2]" 1
735 1 44 VAL HA 1 45 ILE MD 1.800 . 5.000 4.709 4.520 5.046 0.046 3 0 "[ . 1 . 2]" 1
736 1 44 VAL HA 1 48 LEU H 1.800 . 5.000 3.580 3.114 4.101 . 0 0 "[ . 1 . 2]" 1
737 1 45 ILE H 1 45 ILE HA 1.800 . 3.100 2.836 2.820 2.851 . 0 0 "[ . 1 . 2]" 1
738 1 45 ILE H 1 45 ILE HB 1.800 . 3.500 2.282 2.126 2.627 . 0 0 "[ . 1 . 2]" 1
739 1 45 ILE HA 1 45 ILE MD 1.800 . 5.000 2.190 2.020 2.507 . 0 0 "[ . 1 . 2]" 1
740 1 45 ILE HG13 1 45 ILE MG 1.800 . 3.500 2.348 2.198 2.517 . 0 0 "[ . 1 . 2]" 1
741 1 45 ILE HG12 1 45 ILE MG 1.800 . 3.500 2.582 2.193 3.182 . 0 0 "[ . 1 . 2]" 1
742 1 45 ILE H 1 45 ILE QG 1.800 . 3.500 3.107 1.960 3.601 0.101 8 0 "[ . 1 . 2]" 1
743 1 45 ILE H 1 45 ILE MG 1.800 . 3.500 3.631 3.551 3.762 0.262 14 0 "[ . 1 . 2]" 1
744 1 45 ILE HA 1 45 ILE MG 1.800 . 3.500 2.586 2.255 2.754 . 0 0 "[ . 1 . 2]" 1
745 1 45 ILE H 1 45 ILE MD 1.800 . 3.500 2.300 1.983 2.964 . 0 0 "[ . 1 . 2]" 1
746 1 45 ILE H 1 47 TRP H 1.800 . 5.000 4.028 3.910 4.124 . 0 0 "[ . 1 . 2]" 1
747 1 43 LYS H 1 45 ILE H 1.800 . 5.000 4.263 4.121 4.502 . 0 0 "[ . 1 . 2]" 1
748 1 42 LEU HA 1 45 ILE H 1.800 . 5.000 3.600 3.318 3.944 . 0 0 "[ . 1 . 2]" 1
749 1 45 ILE H 1 47 TRP HE3 1.800 . 6.000 5.602 5.051 6.032 0.032 3 0 "[ . 1 . 2]" 1
750 1 44 VAL H 1 45 ILE H 1.800 . 3.500 2.731 2.659 2.853 . 0 0 "[ . 1 . 2]" 1
751 1 45 ILE MG 1 49 GLU QB 1.800 . 5.000 3.572 2.766 3.953 . 0 0 "[ . 1 . 2]" 1
752 1 45 ILE HB 1 46 ALA H 1.800 . 5.000 2.621 2.342 2.785 . 0 0 "[ . 1 . 2]" 1
753 1 45 ILE MG 1 46 ALA H 1.800 . 5.000 2.711 2.349 3.410 . 0 0 "[ . 1 . 2]" 1
754 1 45 ILE H 1 46 ALA H 1.800 . 3.500 2.843 2.789 2.903 . 0 0 "[ . 1 . 2]" 1
755 1 45 ILE MD 1 61 LEU QD 1.800 . 6.000 4.431 2.333 5.988 . 0 0 "[ . 1 . 2]" 1
756 1 45 ILE HA 1 48 LEU HB3 1.800 . 5.000 3.117 2.701 4.584 . 0 0 "[ . 1 . 2]" 1
757 1 45 ILE HA 1 48 LEU HB2 1.800 . 5.000 3.534 3.167 3.785 . 0 0 "[ . 1 . 2]" 1
758 1 45 ILE HA 1 46 ALA H 1.800 . 5.000 3.583 3.572 3.589 . 0 0 "[ . 1 . 2]" 1
759 1 45 ILE HA 1 47 TRP H 1.800 . 5.000 4.437 4.195 4.622 . 0 0 "[ . 1 . 2]" 1
760 1 45 ILE HA 1 48 LEU H 1.800 . 5.000 3.631 3.450 3.844 . 0 0 "[ . 1 . 2]" 1
761 1 45 ILE HA 1 49 GLU H 1.800 . 5.000 4.102 3.539 4.463 . 0 0 "[ . 1 . 2]" 1
762 1 45 ILE MD 1 56 ALA MB 1.800 . 5.000 4.218 3.446 4.982 . 0 0 "[ . 1 . 2]" 1
763 1 46 ALA H 1 46 ALA MB 1.800 . 3.500 2.156 2.049 2.255 . 0 0 "[ . 1 . 2]" 1
764 1 45 ILE MD 1 46 ALA H 1.800 . 5.000 4.253 4.115 4.514 . 0 0 "[ . 1 . 2]" 1
765 1 45 ILE QG 1 46 ALA H 1.800 . 5.000 4.256 3.837 4.440 . 0 0 "[ . 1 . 2]" 1
766 1 46 ALA HA 1 49 GLU HB3 1.800 . 5.000 3.255 2.777 5.028 0.028 13 0 "[ . 1 . 2]" 1
767 1 46 ALA HA 1 49 GLU HB2 1.800 . 6.000 4.187 3.401 5.107 . 0 0 "[ . 1 . 2]" 1
768 1 46 ALA HA 1 49 GLU H 1.800 . 5.000 3.717 3.547 4.022 . 0 0 "[ . 1 . 2]" 1
769 1 46 ALA HA 1 47 TRP H 1.800 . 5.000 3.538 3.511 3.552 . 0 0 "[ . 1 . 2]" 1
770 1 44 VAL QG 1 46 ALA MB 1.800 . 6.000 5.256 5.192 5.300 . 0 0 "[ . 1 . 2]" 1
771 1 46 ALA HA 1 49 GLU QG 1.800 . 5.000 4.635 2.417 5.045 0.045 16 0 "[ . 1 . 2]" 1
772 1 47 TRP HA 1 47 TRP HE3 1.800 . 5.000 4.890 4.680 5.183 0.183 14 0 "[ . 1 . 2]" 1
773 1 47 TRP HA 1 47 TRP HE1 1.800 . 6.000 4.987 4.695 5.282 . 0 0 "[ . 1 . 2]" 1
774 1 47 TRP H 1 47 TRP HB3 1.800 . 3.500 2.336 2.212 2.469 . 0 0 "[ . 1 . 2]" 1
775 1 47 TRP H 1 47 TRP HB2 1.800 . 3.500 2.798 2.583 3.024 . 0 0 "[ . 1 . 2]" 1
776 1 47 TRP H 1 48 LEU QD 1.800 . 5.300 5.361 3.727 5.477 0.177 17 0 "[ . 1 . 2]" 1
777 1 47 TRP H 1 48 LEU H 1.800 . 2.900 2.631 2.533 2.728 . 0 0 "[ . 1 . 2]" 1
778 1 47 TRP H 1 49 GLU H 1.800 . 5.000 4.220 4.025 4.419 . 0 0 "[ . 1 . 2]" 1
779 1 46 ALA MB 1 47 TRP H 1.800 . 3.500 2.660 2.505 2.791 . 0 0 "[ . 1 . 2]" 1
780 1 46 ALA H 1 47 TRP H 1.800 . 2.900 2.627 2.582 2.723 . 0 0 "[ . 1 . 2]" 1
781 1 47 TRP HA 1 50 ASP HB3 1.800 . 3.500 2.769 2.309 3.686 0.186 6 0 "[ . 1 . 2]" 1
782 1 47 TRP HA 1 50 ASP HB2 1.800 . 3.500 3.166 2.265 3.523 0.023 3 0 "[ . 1 . 2]" 1
783 1 47 TRP HE1 1 51 ARG HB3 1.800 . 6.000 4.818 3.718 5.604 . 0 0 "[ . 1 . 2]" 1
784 1 47 TRP HE1 1 51 ARG HB2 1.800 . 5.000 4.032 2.739 5.052 0.052 19 0 "[ . 1 . 2]" 1
785 1 47 TRP HE1 1 51 ARG HD3 1.800 . 6.000 3.318 2.029 4.260 . 0 0 "[ . 1 . 2]" 1
786 1 47 TRP HE1 1 51 ARG HD2 1.800 . 6.000 2.543 1.797 3.887 0.003 3 0 "[ . 1 . 2]" 1
787 1 47 TRP HE1 1 51 ARG HG3 1.800 . 5.000 3.782 2.787 5.059 0.059 8 0 "[ . 1 . 2]" 1
788 1 47 TRP HE1 1 51 ARG HG2 1.800 . 5.000 4.481 3.150 5.036 0.036 13 0 "[ . 1 . 2]" 1
789 1 48 LEU H 1 48 LEU HB2 1.800 . 3.500 2.401 2.251 2.432 . 0 0 "[ . 1 . 2]" 1
790 1 48 LEU H 1 48 LEU HB3 1.800 . 3.500 2.700 2.608 3.557 0.057 3 0 "[ . 1 . 2]" 1
791 1 48 LEU HB3 1 48 LEU QD 1.800 . 3.500 2.148 2.041 2.284 . 0 0 "[ . 1 . 2]" 1
792 1 48 LEU HB2 1 48 LEU QD 1.800 . 3.500 2.063 2.001 2.361 . 0 0 "[ . 1 . 2]" 1
793 1 48 LEU HB3 1 48 LEU MD1 1.800 . 2.900 3.025 2.199 3.158 0.258 14 0 "[ . 1 . 2]" 1
794 1 48 LEU HB2 1 48 LEU MD2 1.800 . 2.900 2.507 2.227 3.043 0.143 13 0 "[ . 1 . 2]" 1
795 1 48 LEU HB2 1 48 LEU HG 1.800 . 2.900 2.931 2.395 3.021 0.121 14 0 "[ . 1 . 2]" 1
796 1 48 LEU HB3 1 48 LEU HG 1.800 . 2.900 2.607 2.438 2.944 0.044 13 0 "[ . 1 . 2]" 1
797 1 48 LEU H 1 48 LEU HG 1.800 . 5.000 4.415 3.778 4.602 . 0 0 "[ . 1 . 2]" 1
798 1 48 LEU HA 1 48 LEU MD1 1.800 . 3.500 2.265 2.105 3.323 . 0 0 "[ . 1 . 2]" 1
799 1 48 LEU HA 1 48 LEU MD2 1.800 . 5.000 3.640 2.076 3.844 . 0 0 "[ . 1 . 2]" 1
800 1 48 LEU H 1 48 LEU QD 1.800 . 3.500 3.483 1.836 3.702 0.202 13 0 "[ . 1 . 2]" 1
801 1 10 PHE QE 1 48 LEU HA 1.800 . 6.300 6.067 3.847 6.341 0.041 10 0 "[ . 1 . 2]" 1
802 1 10 PHE HZ 1 48 LEU HA 1.800 . 6.000 5.861 3.053 6.112 0.112 5 0 "[ . 1 . 2]" 1
803 1 47 TRP HE3 1 48 LEU QD 1.800 . 5.000 3.321 2.201 4.697 . 0 0 "[ . 1 . 2]" 1
804 1 47 TRP HZ3 1 48 LEU QD 1.800 . 6.000 2.849 2.194 5.135 . 0 0 "[ . 1 . 2]" 1
805 1 47 TRP HE3 1 48 LEU HA 1.800 . 5.000 3.556 2.866 5.011 0.011 14 0 "[ . 1 . 2]" 1
806 1 48 LEU HA 1 50 ASP QB 1.800 . 5.000 5.033 4.837 5.179 0.179 5 0 "[ . 1 . 2]" 1
807 1 47 TRP QB 1 48 LEU H 1.800 . 3.500 2.562 2.394 2.707 . 0 0 "[ . 1 . 2]" 1
808 1 47 TRP HA 1 48 LEU H 1.800 . 5.000 3.558 3.536 3.584 . 0 0 "[ . 1 . 2]" 1
809 1 48 LEU H 1 50 ASP H 1.800 . 5.000 4.081 3.919 4.200 . 0 0 "[ . 1 . 2]" 1
810 1 48 LEU H 1 51 ARG H 1.800 . 5.000 4.866 4.443 5.049 0.049 11 0 "[ . 1 . 2]" 1
811 1 48 LEU H 1 49 GLU H 1.800 . 3.500 2.786 2.715 2.842 . 0 0 "[ . 1 . 2]" 1
812 1 48 LEU HA 1 51 ARG QB 1.800 . 5.000 3.258 2.527 3.584 . 0 0 "[ . 1 . 2]" 1
813 1 48 LEU HA 1 51 ARG H 1.800 . 5.000 3.658 3.458 3.801 . 0 0 "[ . 1 . 2]" 1
814 1 48 LEU HA 1 51 ARG QD 1.800 . 5.000 4.374 3.203 5.021 0.021 20 0 "[ . 1 . 2]" 1
815 1 49 GLU HB3 1 49 GLU HG3 1.800 . 2.900 2.981 2.446 3.025 0.125 14 0 "[ . 1 . 2]" 1
816 1 49 GLU HB3 1 49 GLU HG2 1.800 . 2.900 2.497 2.445 2.925 0.025 9 0 "[ . 1 . 2]" 1
817 1 49 GLU HB2 1 49 GLU HG3 1.800 . 2.900 2.466 2.264 3.025 0.125 1 0 "[ . 1 . 2]" 1
818 1 49 GLU HB2 1 49 GLU HG2 1.800 . 2.900 2.981 2.435 3.025 0.125 4 0 "[ . 1 . 2]" 1
819 1 49 GLU HA 1 49 GLU HG3 1.800 . 3.500 2.762 2.521 3.640 0.140 3 0 "[ . 1 . 2]" 1
820 1 49 GLU H 1 49 GLU HB3 1.800 . 3.500 2.520 2.278 3.611 0.111 13 0 "[ . 1 . 2]" 1
821 1 49 GLU H 1 49 GLU HB2 1.800 . 3.500 2.734 2.513 3.585 0.085 3 0 "[ . 1 . 2]" 1
822 1 49 GLU H 1 49 GLU HG3 1.800 . 5.000 4.324 2.128 4.650 . 0 0 "[ . 1 . 2]" 1
823 1 49 GLU H 1 49 GLU HG2 1.800 . 5.000 4.191 2.480 4.651 . 0 0 "[ . 1 . 2]" 1
824 1 47 TRP HA 1 49 GLU H 1.800 . 5.000 4.537 4.376 4.738 . 0 0 "[ . 1 . 2]" 1
825 1 48 LEU HA 1 49 GLU H 1.800 . 5.000 3.570 3.563 3.581 . 0 0 "[ . 1 . 2]" 1
826 1 48 LEU QB 1 49 GLU H 1.800 . 5.000 2.439 2.364 2.693 . 0 0 "[ . 1 . 2]" 1
827 1 48 LEU QD 1 49 GLU H 1.800 . 5.000 3.729 3.094 3.931 . 0 0 "[ . 1 . 2]" 1
828 1 49 GLU HA 1 54 ILE QG 1.800 . 6.000 3.944 3.406 4.215 . 0 0 "[ . 1 . 2]" 1
829 1 49 GLU HA 1 54 ILE H 1.800 . 5.000 1.904 1.737 2.350 0.063 19 0 "[ . 1 . 2]" 1
830 1 49 GLU HB3 1 56 ALA HA 1.800 . 5.000 4.993 4.387 5.126 0.126 5 0 "[ . 1 . 2]" 1
831 1 49 GLU HB2 1 56 ALA HA 1.800 . 5.000 3.974 3.475 5.040 0.040 15 0 "[ . 1 . 2]" 1
832 1 49 GLU H 1 50 ASP H 1.800 . 5.000 2.610 2.525 2.680 . 0 0 "[ . 1 . 2]" 1
833 1 49 GLU H 1 51 ARG H 1.800 . 5.000 4.287 4.034 4.444 . 0 0 "[ . 1 . 2]" 1
834 1 49 GLU H 1 52 PHE H 1.800 . 5.000 4.910 4.813 5.020 0.020 14 0 "[ . 1 . 2]" 1
835 1 49 GLU HA 1 52 PHE H 1.800 . 5.000 3.888 3.512 4.264 . 0 0 "[ . 1 . 2]" 1
836 1 50 ASP H 1 50 ASP HB3 1.800 . 3.500 2.686 2.549 3.573 0.073 6 0 "[ . 1 . 2]" 1
837 1 50 ASP H 1 50 ASP HB2 1.800 . 3.500 2.445 2.396 2.507 . 0 0 "[ . 1 . 2]" 1
838 1 50 ASP HA 1 50 ASP HB3 1.800 . 2.900 2.993 2.531 3.019 0.119 20 0 "[ . 1 . 2]" 1
839 1 50 ASP HA 1 50 ASP HB2 1.800 . 2.900 2.539 2.474 3.013 0.113 6 0 "[ . 1 . 2]" 1
840 1 49 GLU HB2 1 50 ASP H 1.800 . 5.000 3.912 2.584 4.082 . 0 0 "[ . 1 . 2]" 1
841 1 49 GLU HB3 1 50 ASP H 1.800 . 5.000 2.861 2.554 3.785 . 0 0 "[ . 1 . 2]" 1
842 1 50 ASP HB2 1 51 ARG H 1.800 . 5.000 3.733 2.487 3.855 . 0 0 "[ . 1 . 2]" 1
843 1 50 ASP HB3 1 51 ARG H 1.800 . 3.500 2.577 2.342 3.426 . 0 0 "[ . 1 . 2]" 1
844 1 50 ASP HA 1 51 ARG H 1.800 . 3.500 3.558 3.535 3.574 0.074 11 0 "[ . 1 . 2]" 1
845 1 49 GLU HA 1 50 ASP H 1.800 . 5.000 3.538 3.517 3.550 . 0 0 "[ . 1 . 2]" 1
846 1 51 ARG H 1 51 ARG HB3 1.800 . 3.500 3.149 2.545 3.629 0.129 20 0 "[ . 1 . 2]" 1
847 1 51 ARG H 1 51 ARG HB2 1.800 . 3.500 2.486 2.364 2.686 . 0 0 "[ . 1 . 2]" 1
848 1 51 ARG HA 1 51 ARG HD3 1.800 . 5.000 4.504 3.274 4.766 . 0 0 "[ . 1 . 2]" 1
849 1 51 ARG HA 1 51 ARG HD2 1.800 . 5.000 4.370 2.238 4.739 . 0 0 "[ . 1 . 2]" 1
850 1 51 ARG H 1 51 ARG HG3 1.800 . 5.000 3.384 2.310 4.543 . 0 0 "[ . 1 . 2]" 1
851 1 51 ARG H 1 51 ARG HG2 1.800 . 5.000 4.005 3.478 4.647 . 0 0 "[ . 1 . 2]" 1
852 1 51 ARG H 1 51 ARG HD3 1.800 . 6.000 4.763 4.039 6.014 0.014 1 0 "[ . 1 . 2]" 1
853 1 51 ARG H 1 51 ARG HD2 1.800 . 6.000 4.761 4.184 5.003 . 0 0 "[ . 1 . 2]" 1
854 1 6 VAL QG 1 51 ARG QH 1.800 . 5.300 4.788 3.810 5.323 0.023 9 0 "[ . 1 . 2]" 1
855 1 50 ASP H 1 51 ARG H 1.800 . 2.900 2.749 2.630 2.827 . 0 0 "[ . 1 . 2]" 1
856 1 51 ARG H 1 52 PHE H 1.800 . 2.900 2.659 2.560 2.856 . 0 0 "[ . 1 . 2]" 1
857 1 52 PHE H 1 52 PHE HB3 1.800 . 3.500 3.578 2.822 3.697 0.197 8 0 "[ . 1 . 2]" 1
858 1 52 PHE H 1 52 PHE HB2 1.800 . 3.500 2.404 2.357 2.500 . 0 0 "[ . 1 . 2]" 1
859 1 48 LEU HA 1 52 PHE H 1.800 . 6.000 3.644 3.132 4.295 . 0 0 "[ . 1 . 2]" 1
860 1 51 ARG HB3 1 52 PHE H 1.800 . 3.500 2.907 2.203 3.533 0.033 3 0 "[ . 1 . 2]" 1
861 1 51 ARG HB2 1 52 PHE H 1.800 . 5.000 3.017 2.298 3.880 . 0 0 "[ . 1 . 2]" 1
862 1 51 ARG HA 1 52 PHE H 1.800 . 5.000 3.596 3.574 3.611 . 0 0 "[ . 1 . 2]" 1
863 1 52 PHE H 1 53 GLY QA 1.800 . 5.000 4.409 4.099 4.513 . 0 0 "[ . 1 . 2]" 1
864 1 52 PHE HB3 1 54 ILE MD 1.800 . 3.500 2.330 2.056 3.276 . 0 0 "[ . 1 . 2]" 1
865 1 52 PHE HB2 1 54 ILE MD 1.800 . 3.500 2.474 2.215 3.263 . 0 0 "[ . 1 . 2]" 1
866 1 52 PHE HB3 1 54 ILE QG 1.800 . 3.500 2.286 2.233 2.525 . 0 0 "[ . 1 . 2]" 1
867 1 52 PHE HB2 1 54 ILE QG 1.800 . 5.000 2.683 2.266 3.871 . 0 0 "[ . 1 . 2]" 1
868 1 52 PHE HB3 1 54 ILE MG 1.800 . 5.000 4.738 4.582 5.055 0.055 8 0 "[ . 1 . 2]" 1
869 1 52 PHE HB2 1 54 ILE MG 1.800 . 6.000 4.781 4.551 5.999 . 0 0 "[ . 1 . 2]" 1
870 1 52 PHE H 1 54 ILE H 1.800 . 5.000 3.976 3.295 4.340 . 0 0 "[ . 1 . 2]" 1
871 1 52 PHE QB 1 76 VAL QG 1.800 . 6.000 5.850 5.489 6.096 0.096 14 0 "[ . 1 . 2]" 1
872 1 52 PHE HB3 1 80 THR MG 1.800 . 5.000 4.048 3.167 4.805 . 0 0 "[ . 1 . 2]" 1
873 1 52 PHE HB2 1 80 THR MG 1.800 . 5.000 4.700 3.469 5.022 0.022 11 0 "[ . 1 . 2]" 1
874 1 53 GLY H 1 54 ILE HA 1.800 . 5.300 5.162 5.126 5.286 . 0 0 "[ . 1 . 2]" 1
875 1 52 PHE HB3 1 53 GLY H 1.800 . 5.000 3.932 3.061 4.179 . 0 0 "[ . 1 . 2]" 1
876 1 52 PHE HB2 1 53 GLY H 1.800 . 5.000 3.212 3.009 3.910 . 0 0 "[ . 1 . 2]" 1
877 1 51 ARG QB 1 53 GLY H 1.800 . 6.000 4.386 4.307 4.454 . 0 0 "[ . 1 . 2]" 1
878 1 51 ARG H 1 53 GLY H 1.800 . 5.000 3.665 3.580 3.832 . 0 0 "[ . 1 . 2]" 1
879 1 54 ILE HA 1 54 ILE QG 1.800 . 3.500 2.463 2.437 2.490 . 0 0 "[ . 1 . 2]" 1
880 1 54 ILE HA 1 54 ILE MG 1.800 . 3.500 2.270 2.230 2.325 . 0 0 "[ . 1 . 2]" 1
881 1 54 ILE H 1 54 ILE MG 1.800 . 5.000 3.823 3.783 3.841 . 0 0 "[ . 1 . 2]" 1
882 1 54 ILE H 1 54 ILE QG 1.800 . 3.500 2.408 2.129 2.570 . 0 0 "[ . 1 . 2]" 1
883 1 54 ILE HB 1 54 ILE MD 1.800 . 2.900 2.288 2.222 2.325 . 0 0 "[ . 1 . 2]" 1
884 1 54 ILE MD 1 54 ILE QG 1.800 . 2.900 1.913 1.884 1.916 . 0 0 "[ . 1 . 2]" 1
885 1 54 ILE H 1 54 ILE MD 1.800 . 3.500 3.568 3.520 3.588 0.088 13 0 "[ . 1 . 2]" 1
886 1 54 ILE HA 1 54 ILE MD 1.800 . 4.300 3.862 3.837 3.879 . 0 0 "[ . 1 . 2]" 1
887 1 54 ILE QG 1 54 ILE MG 1.800 . 2.900 2.201 2.117 2.269 . 0 0 "[ . 1 . 2]" 1
888 1 48 LEU QB 1 54 ILE MD 1.800 . 5.000 4.467 3.816 5.043 0.043 15 0 "[ . 1 . 2]" 1
889 1 49 GLU QB 1 54 ILE H 1.800 . 5.300 3.623 2.957 3.950 . 0 0 "[ . 1 . 2]" 1
890 1 52 PHE HB3 1 54 ILE H 1.800 . 5.000 3.837 3.458 4.256 . 0 0 "[ . 1 . 2]" 1
891 1 52 PHE HB2 1 54 ILE H 1.800 . 5.000 3.209 2.893 5.010 0.010 19 0 "[ . 1 . 2]" 1
892 1 53 GLY H 1 54 ILE H 1.800 . 2.900 2.479 2.391 2.703 . 0 0 "[ . 1 . 2]" 1
893 1 54 ILE HA 1 55 ALA H 1.800 . 2.900 2.259 2.206 2.300 . 0 0 "[ . 1 . 2]" 1
894 1 54 ILE H 1 55 ALA H 1.800 . 5.000 4.549 4.477 4.623 . 0 0 "[ . 1 . 2]" 1
895 1 54 ILE MD 1 76 VAL HA 1.800 . 6.000 5.917 5.566 6.070 0.070 10 0 "[ . 1 . 2]" 1
896 1 55 ALA H 1 55 ALA MB 1.800 . 3.500 2.114 2.041 2.256 . 0 0 "[ . 1 . 2]" 1
897 1 49 GLU QB 1 55 ALA HA 1.800 . 5.000 3.764 3.283 4.366 . 0 0 "[ . 1 . 2]" 1
898 1 49 GLU QB 1 55 ALA H 1.800 . 5.000 5.061 4.725 5.141 0.141 6 0 "[ . 1 . 2]" 1
899 1 53 GLY QA 1 55 ALA H 1.800 . 6.000 5.511 5.279 5.655 . 0 0 "[ . 1 . 2]" 1
900 1 55 ALA HA 1 56 ALA H 1.800 . 5.000 2.281 2.175 2.370 . 0 0 "[ . 1 . 2]" 1
901 1 55 ALA H 1 56 ALA H 1.800 . 6.000 4.657 4.535 4.687 . 0 0 "[ . 1 . 2]" 1
902 1 55 ALA H 1 56 ALA MB 1.800 . 6.000 5.937 5.774 5.971 . 0 0 "[ . 1 . 2]" 1
903 1 55 ALA H 1 56 ALA HA 1.800 . 6.000 5.690 5.493 5.808 . 0 0 "[ . 1 . 2]" 1
904 1 56 ALA H 1 56 ALA MB 1.800 . 5.000 2.182 2.046 2.250 . 0 0 "[ . 1 . 2]" 1
905 1 56 ALA HA 1 57 ASP H 1.800 . 3.500 3.523 3.451 3.557 0.057 13 0 "[ . 1 . 2]" 1
906 1 45 ILE MG 1 56 ALA H 1.800 . 5.000 4.215 3.810 5.025 0.025 13 0 "[ . 1 . 2]" 1
907 1 57 ASP HA 1 57 ASP HB3 1.800 . 2.900 2.529 2.492 3.019 0.119 14 0 "[ . 1 . 2]" 1
908 1 57 ASP HA 1 57 ASP HB2 1.800 . 2.900 2.998 2.521 3.027 0.127 13 0 "[ . 1 . 2]" 1
909 1 57 ASP H 1 57 ASP HB2 1.800 . 3.500 2.913 2.407 3.517 0.017 18 0 "[ . 1 . 2]" 1
910 1 57 ASP H 1 58 ASP H 1.800 . 2.900 2.737 2.468 2.913 0.013 2 0 "[ . 1 . 2]" 1
911 1 57 ASP H 1 58 ASP HA 1.800 . 6.000 5.107 4.647 5.387 . 0 0 "[ . 1 . 2]" 1
912 1 57 ASP H 1 58 ASP QB 1.800 . 5.000 4.647 4.177 5.088 0.088 16 0 "[ . 1 . 2]" 1
913 1 56 ALA MB 1 57 ASP H 1.800 . 3.500 2.715 2.570 2.987 . 0 0 "[ . 1 . 2]" 1
914 1 56 ALA H 1 57 ASP H 1.800 . 3.500 2.703 2.559 2.842 . 0 0 "[ . 1 . 2]" 1
915 1 57 ASP H 1 59 VAL QG 1.800 . 7.000 5.323 4.506 7.094 0.094 16 0 "[ . 1 . 2]" 1
916 1 58 ASP HA 1 58 ASP HB3 1.800 . 2.900 2.715 2.491 3.022 0.122 9 0 "[ . 1 . 2]" 1
917 1 58 ASP HA 1 58 ASP HB2 1.800 . 2.900 2.731 2.428 3.025 0.125 18 0 "[ . 1 . 2]" 1
918 1 58 ASP H 1 58 ASP QB 1.800 . 3.500 2.433 2.250 3.249 . 0 0 "[ . 1 . 2]" 1
919 1 56 ALA MB 1 58 ASP H 1.800 . 5.000 3.689 2.668 4.560 . 0 0 "[ . 1 . 2]" 1
920 1 57 ASP QB 1 58 ASP H 1.800 . 5.000 3.479 2.637 3.900 . 0 0 "[ . 1 . 2]" 1
921 1 58 ASP H 1 59 VAL QG 1.800 . 5.000 3.993 3.469 5.080 0.080 16 0 "[ . 1 . 2]" 1
922 1 59 VAL HA 1 59 VAL HB 1.800 . 2.900 2.627 2.435 3.023 0.123 15 0 "[ . 1 . 2]" 1
923 1 59 VAL HA 1 59 VAL QG 1.800 . 3.500 2.227 2.031 2.379 . 0 0 "[ . 1 . 2]" 1
924 1 59 VAL HB 1 59 VAL QG 1.800 . 2.900 1.904 1.879 1.916 . 0 0 "[ . 1 . 2]" 1
925 1 59 VAL H 1 59 VAL QG 1.800 . 3.500 2.092 1.884 2.697 . 0 0 "[ . 1 . 2]" 1
926 1 59 VAL HA 1 60 GLU H 1.800 . 3.500 2.624 2.225 3.569 0.069 18 0 "[ . 1 . 2]" 1
927 1 59 VAL HB 1 60 GLU H 1.800 . 5.000 3.025 2.576 4.602 . 0 0 "[ . 1 . 2]" 1
928 1 59 VAL H 1 60 GLU H 1.800 . 5.000 4.022 2.019 4.557 . 0 0 "[ . 1 . 2]" 1
929 1 58 ASP HA 1 59 VAL H 1.800 . 3.500 2.936 2.168 3.551 0.051 6 0 "[ . 1 . 2]" 1
930 1 58 ASP QB 1 59 VAL H 1.800 . 5.000 3.198 2.285 3.968 . 0 0 "[ . 1 . 2]" 1
931 1 60 GLU HA 1 60 GLU HG2 1.800 . 3.500 2.825 2.429 3.060 . 0 0 "[ . 1 . 2]" 1
932 1 60 GLU HA 1 60 GLU HG3 1.800 . 3.500 2.683 2.436 3.670 0.170 19 0 "[ . 1 . 2]" 1
933 1 60 GLU HB3 1 60 GLU HG3 1.800 . 2.900 2.992 2.471 3.021 0.121 11 0 "[ . 1 . 2]" 1
934 1 60 GLU HB2 1 60 GLU HG3 1.800 . 2.900 2.440 2.429 2.463 . 0 0 "[ . 1 . 2]" 1
935 1 60 GLU HB3 1 60 GLU HG2 1.800 . 2.900 2.501 2.449 3.021 0.121 19 0 "[ . 1 . 2]" 1
936 1 60 GLU HB2 1 60 GLU HG2 1.800 . 2.900 2.995 2.478 3.024 0.124 11 0 "[ . 1 . 2]" 1
937 1 60 GLU H 1 60 GLU QG 1.800 . 5.000 3.595 2.128 4.253 . 0 0 "[ . 1 . 2]" 1
938 1 59 VAL QG 1 60 GLU H 1.800 . 3.500 3.036 2.216 3.314 . 0 0 "[ . 1 . 2]" 1
939 1 60 GLU HA 1 61 LEU H 1.800 . 3.500 2.376 2.162 3.496 . 0 0 "[ . 1 . 2]" 1
940 1 60 GLU HG2 1 61 LEU QD 1.800 . 5.000 4.518 4.174 4.965 . 0 0 "[ . 1 . 2]" 1
941 1 60 GLU HG3 1 61 LEU QD 1.800 . 5.000 4.928 4.060 5.209 0.209 17 0 "[ . 1 . 2]" 1
942 1 60 GLU H 1 61 LEU H 1.800 . 5.000 4.112 1.770 4.659 0.030 11 0 "[ . 1 . 2]" 1
943 1 61 LEU H 1 61 LEU HA 1.800 . 2.900 2.965 2.898 2.985 0.085 17 0 "[ . 1 . 2]" 1
944 1 61 LEU HB3 1 61 LEU HG 1.800 . 2.900 2.835 2.407 3.024 0.124 16 0 "[ . 1 . 2]" 1
945 1 61 LEU HB2 1 61 LEU HG 1.800 . 2.900 2.552 2.388 3.024 0.124 11 0 "[ . 1 . 2]" 1
946 1 61 LEU HA 1 61 LEU MD2 1.800 . 5.000 2.542 2.025 3.730 . 0 0 "[ . 1 . 2]" 1
947 1 61 LEU HA 1 61 LEU MD1 1.800 . 5.000 3.361 2.027 4.017 . 0 0 "[ . 1 . 2]" 1
948 1 61 LEU HB3 1 61 LEU MD1 1.800 . 3.500 2.493 2.197 3.191 . 0 0 "[ . 1 . 2]" 1
949 1 61 LEU HB2 1 61 LEU MD1 1.800 . 3.500 2.452 2.194 3.195 . 0 0 "[ . 1 . 2]" 1
950 1 61 LEU HB3 1 61 LEU MD2 1.800 . 3.500 2.464 2.204 3.194 . 0 0 "[ . 1 . 2]" 1
951 1 61 LEU HB2 1 61 LEU MD2 1.800 . 3.500 2.903 2.198 3.199 . 0 0 "[ . 1 . 2]" 1
952 1 61 LEU H 1 61 LEU HG 1.800 . 5.000 2.828 1.748 4.533 0.052 19 0 "[ . 1 . 2]" 1
953 1 61 LEU H 1 61 LEU QD 1.800 . 5.000 2.541 1.747 3.162 0.053 14 0 "[ . 1 . 2]" 1
954 1 61 LEU H 1 62 SER H 1.800 . 5.000 4.535 4.339 4.647 . 0 0 "[ . 1 . 2]" 1
955 1 60 GLU QB 1 61 LEU H 1.800 . 5.000 3.533 2.324 4.058 . 0 0 "[ . 1 . 2]" 1
956 1 62 SER HA 1 62 SER HB3 1.800 . 2.900 2.747 2.256 2.962 0.062 7 0 "[ . 1 . 2]" 1
957 1 62 SER HA 1 62 SER HB2 1.800 . 2.900 2.556 2.250 2.937 0.037 1 0 "[ . 1 . 2]" 1
958 1 62 SER H 1 62 SER HA 1.800 . 2.900 2.944 2.835 2.986 0.086 18 0 "[ . 1 . 2]" 1
959 1 62 SER H 1 62 SER HB3 1.800 . 3.500 3.009 2.096 3.543 0.043 1 0 "[ . 1 . 2]" 1
960 1 61 LEU HA 1 62 SER H 1.800 . 3.500 2.277 2.206 2.774 . 0 0 "[ . 1 . 2]" 1
961 1 61 LEU HB3 1 62 SER H 1.800 . 5.000 3.089 1.886 3.724 . 0 0 "[ . 1 . 2]" 1
962 1 61 LEU HB2 1 62 SER H 1.800 . 5.000 3.917 3.445 4.210 . 0 0 "[ . 1 . 2]" 1
963 1 61 LEU QD 1 62 SER H 1.800 . 5.000 3.678 2.821 4.237 . 0 0 "[ . 1 . 2]" 1
964 1 62 SER H 1 66 PHE HZ 1.800 . 6.000 5.746 4.467 6.066 0.066 7 0 "[ . 1 . 2]" 1
965 1 62 SER HB3 1 65 HIS H 1.800 . 6.000 3.888 2.725 4.980 . 0 0 "[ . 1 . 2]" 1
966 1 62 SER HB2 1 65 HIS H 1.800 . 6.000 4.275 2.816 5.318 . 0 0 "[ . 1 . 2]" 1
967 1 63 PRO HA 1 63 PRO HB3 1.800 . 2.900 2.286 2.277 2.301 . 0 0 "[ . 1 . 2]" 1
968 1 63 PRO HB3 1 63 PRO QD 1.800 . 3.500 3.171 2.950 3.548 0.048 10 0 "[ . 1 . 2]" 1
969 1 63 PRO HB2 1 63 PRO QD 1.800 . 3.500 3.356 2.983 3.547 0.047 16 0 "[ . 1 . 2]" 1
970 1 63 PRO QD 1 63 PRO QG 1.800 . 2.900 1.976 1.966 1.980 . 0 0 "[ . 1 . 2]" 1
971 1 41 LEU QD 1 63 PRO HA 1.800 . 6.300 5.157 4.272 6.093 . 0 0 "[ . 1 . 2]" 1
972 1 62 SER HA 1 63 PRO QD 1.800 . 3.500 2.124 2.044 2.215 . 0 0 "[ . 1 . 2]" 1
973 1 63 PRO HA 1 64 GLU H 1.800 . 3.500 3.511 3.475 3.543 0.043 3 0 "[ . 1 . 2]" 1
974 1 63 PRO HA 1 65 HIS H 1.800 . 5.000 3.905 3.618 4.095 . 0 0 "[ . 1 . 2]" 1
975 1 63 PRO HA 1 66 PHE HB3 1.800 . 6.000 5.231 4.831 5.951 . 0 0 "[ . 1 . 2]" 1
976 1 63 PRO HA 1 66 PHE HB2 1.800 . 6.000 3.613 3.158 4.407 . 0 0 "[ . 1 . 2]" 1
977 1 63 PRO HA 1 66 PHE H 1.800 . 5.000 3.514 3.333 3.872 . 0 0 "[ . 1 . 2]" 1
978 1 64 GLU HA 1 64 GLU HB3 1.800 . 2.900 2.598 2.488 3.021 0.121 10 0 "[ . 1 . 2]" 1
979 1 64 GLU HA 1 64 GLU HB2 1.800 . 2.900 2.916 2.493 3.023 0.123 6 0 "[ . 1 . 2]" 1
980 1 64 GLU HA 1 64 GLU HG3 1.800 . 3.500 2.952 2.485 3.666 0.166 1 0 "[ . 1 . 2]" 1
981 1 64 GLU HA 1 64 GLU HG2 1.800 . 3.500 2.550 2.421 2.929 . 0 0 "[ . 1 . 2]" 1
982 1 64 GLU HB3 1 64 GLU HG3 1.800 . 2.900 2.993 2.477 3.022 0.122 6 0 "[ . 1 . 2]" 1
983 1 64 GLU HB3 1 64 GLU HG2 1.800 . 2.900 2.504 2.474 3.022 0.122 1 0 "[ . 1 . 2]" 1
984 1 64 GLU HB2 1 64 GLU HG3 1.800 . 2.900 2.437 2.431 2.443 . 0 0 "[ . 1 . 2]" 1
985 1 64 GLU HB2 1 64 GLU HG2 1.800 . 2.900 2.993 2.481 3.023 0.123 15 0 "[ . 1 . 2]" 1
986 1 64 GLU H 1 64 GLU HG3 1.800 . 5.000 2.706 2.144 4.419 . 0 0 "[ . 1 . 2]" 1
987 1 64 GLU H 1 64 GLU HG2 1.800 . 5.000 3.545 2.248 4.490 . 0 0 "[ . 1 . 2]" 1
988 1 62 SER HA 1 64 GLU H 1.800 . 4.300 3.967 3.339 4.344 0.044 14 0 "[ . 1 . 2]" 1
989 1 62 SER HB3 1 64 GLU H 1.800 . 5.000 3.811 2.274 5.036 0.036 7 0 "[ . 1 . 2]" 1
990 1 62 SER HB2 1 64 GLU H 1.800 . 5.000 3.979 2.409 5.040 0.040 1 0 "[ . 1 . 2]" 1
991 1 62 SER H 1 64 GLU H 1.800 . 6.000 5.056 4.380 5.383 . 0 0 "[ . 1 . 2]" 1
992 1 63 PRO QB 1 64 GLU H 1.800 . 3.500 3.080 2.645 3.326 . 0 0 "[ . 1 . 2]" 1
993 1 64 GLU H 1 66 PHE QD 1.800 . 6.000 4.834 4.324 5.465 . 0 0 "[ . 1 . 2]" 1
994 1 64 GLU H 1 65 HIS HA 1.800 . 6.000 5.251 5.106 5.348 . 0 0 "[ . 1 . 2]" 1
995 1 64 GLU H 1 65 HIS H 1.800 . 5.000 2.621 2.543 2.708 . 0 0 "[ . 1 . 2]" 1
996 1 64 GLU HA 1 67 ARG QD 1.800 . 5.000 3.643 3.288 4.314 . 0 0 "[ . 1 . 2]" 1
997 1 64 GLU HA 1 67 ARG HB3 1.800 . 5.000 4.317 3.506 4.998 . 0 0 "[ . 1 . 2]" 1
998 1 64 GLU HA 1 67 ARG HB2 1.800 . 5.000 3.139 2.407 4.432 . 0 0 "[ . 1 . 2]" 1
999 1 64 GLU HA 1 65 HIS H 1.800 . 3.500 3.486 3.402 3.517 0.017 12 0 "[ . 1 . 2]" 1
1000 1 64 GLU HA 1 66 PHE H 1.800 . 5.000 3.946 3.768 4.119 . 0 0 "[ . 1 . 2]" 1
1001 1 65 HIS H 1 65 HIS HA 1.800 . 2.900 2.875 2.867 2.880 . 0 0 "[ . 1 . 2]" 1
1002 1 65 HIS H 1 65 HIS HB2 1.800 . 3.500 2.544 2.089 2.746 . 0 0 "[ . 1 . 2]" 1
1003 1 65 HIS H 1 65 HIS HB3 1.800 . 3.500 2.598 2.395 3.419 . 0 0 "[ . 1 . 2]" 1
1004 1 65 HIS H 1 65 HIS HD1 1.800 . 5.000 4.339 3.423 4.469 . 0 0 "[ . 1 . 2]" 1
1005 1 30 LEU QD 1 66 PHE HB2 1.800 . 6.000 3.983 2.994 5.555 . 0 0 "[ . 1 . 2]" 1
1006 1 30 LEU QD 1 66 PHE HB3 1.800 . 6.000 2.729 2.141 4.212 . 0 0 "[ . 1 . 2]" 1
1007 1 31 VAL QG 1 66 PHE QB 1.800 . 5.000 4.226 2.415 4.984 . 0 0 "[ . 1 . 2]" 1
1008 1 65 HIS HA 1 66 PHE H 1.800 . 3.500 3.503 3.494 3.513 0.013 16 0 "[ . 1 . 2]" 1
1009 1 65 HIS QB 1 66 PHE H 1.800 . 4.300 2.891 2.852 2.978 . 0 0 "[ . 1 . 2]" 1
1010 1 66 PHE H 1 67 ARG H 1.800 . 3.500 2.489 2.350 2.611 . 0 0 "[ . 1 . 2]" 1
1011 1 67 ARG HB3 1 67 ARG HG3 1.800 . 2.900 2.618 2.531 3.017 0.117 17 0 "[ . 1 . 2]" 1
1012 1 67 ARG HB2 1 67 ARG HG3 1.800 . 2.900 2.788 2.344 3.025 0.125 15 0 "[ . 1 . 2]" 1
1013 1 67 ARG HB3 1 67 ARG HG2 1.800 . 2.900 2.549 2.335 3.016 0.116 10 0 "[ . 1 . 2]" 1
1014 1 67 ARG HB2 1 67 ARG HG2 1.800 . 2.900 2.615 2.526 3.021 0.121 17 0 "[ . 1 . 2]" 1
1015 1 67 ARG HB3 1 67 ARG QD 1.800 . 3.500 2.943 2.206 3.317 . 0 0 "[ . 1 . 2]" 1
1016 1 67 ARG HB2 1 67 ARG QD 1.800 . 3.500 2.568 2.224 3.304 . 0 0 "[ . 1 . 2]" 1
1017 1 67 ARG HA 1 67 ARG QD 1.800 . 5.000 2.287 2.149 3.932 . 0 0 "[ . 1 . 2]" 1
1018 1 67 ARG H 1 67 ARG QD 1.800 . 5.000 4.002 3.398 4.640 . 0 0 "[ . 1 . 2]" 1
1019 1 67 ARG H 1 67 ARG QG 1.800 . 5.000 3.455 1.916 4.070 . 0 0 "[ . 1 . 2]" 1
1020 1 67 ARG HB3 1 67 ARG HE 1.800 . 6.000 4.587 2.336 5.256 . 0 0 "[ . 1 . 2]" 1
1021 1 67 ARG HB2 1 67 ARG HE 1.800 . 6.000 4.558 3.452 5.210 . 0 0 "[ . 1 . 2]" 1
1022 1 31 VAL QG 1 67 ARG HA 1.800 . 5.000 2.874 1.977 3.645 . 0 0 "[ . 1 . 2]" 1
1023 1 31 VAL QG 1 67 ARG H 1.800 . 6.000 4.730 3.341 5.509 . 0 0 "[ . 1 . 2]" 1
1024 1 64 GLU HA 1 67 ARG H 1.800 . 5.000 3.515 3.261 3.771 . 0 0 "[ . 1 . 2]" 1
1025 1 66 PHE HA 1 67 ARG H 1.800 . 3.500 3.234 3.120 3.410 . 0 0 "[ . 1 . 2]" 1
1026 1 67 ARG HA 1 68 SER H 1.800 . 5.000 3.552 3.514 3.570 . 0 0 "[ . 1 . 2]" 1
1027 1 67 ARG QD 1 68 SER H 1.800 . 5.000 4.921 4.726 5.054 0.054 17 0 "[ . 1 . 2]" 1
1028 1 67 ARG H 1 68 SER H 1.800 . 5.000 2.788 2.722 2.853 . 0 0 "[ . 1 . 2]" 1
1029 1 29 ASP HA 1 68 SER HB3 1.800 . 5.000 4.037 3.262 4.995 . 0 0 "[ . 1 . 2]" 1
1030 1 29 ASP HA 1 68 SER HB2 1.800 . 5.000 4.116 3.498 5.037 0.037 9 0 "[ . 1 . 2]" 1
1031 1 30 LEU H 1 68 SER H 1.800 . 5.000 4.078 3.809 4.192 . 0 0 "[ . 1 . 2]" 1
1032 1 67 ARG HB3 1 68 SER H 1.800 . 5.000 2.981 2.587 3.808 . 0 0 "[ . 1 . 2]" 1
1033 1 67 ARG HB2 1 68 SER H 1.800 . 5.000 3.547 2.670 3.958 . 0 0 "[ . 1 . 2]" 1
1034 1 67 ARG QG 1 68 SER H 1.800 . 5.000 3.809 3.455 4.088 . 0 0 "[ . 1 . 2]" 1
1035 1 68 SER HB3 1 69 ILE H 1.800 . 5.000 3.839 2.874 4.167 . 0 0 "[ . 1 . 2]" 1
1036 1 68 SER HB2 1 69 ILE H 1.800 . 5.000 3.160 2.511 4.098 . 0 0 "[ . 1 . 2]" 1
1037 1 68 SER H 1 71 SER H 1.800 . 5.000 4.049 3.517 4.544 . 0 0 "[ . 1 . 2]" 1
1038 1 68 SER H 1 72 ILE MD 1.800 . 5.000 4.632 3.947 5.020 0.020 9 0 "[ . 1 . 2]" 1
1039 1 68 SER H 1 72 ILE QG 1.800 . 5.000 4.129 3.637 4.490 . 0 0 "[ . 1 . 2]" 1
1040 1 68 SER H 1 72 ILE H 1.800 . 5.000 4.636 4.298 4.918 . 0 0 "[ . 1 . 2]" 1
1041 1 69 ILE HB 1 69 ILE MD 1.800 . 3.500 2.273 2.143 2.348 . 0 0 "[ . 1 . 2]" 1
1042 1 69 ILE H 1 69 ILE HB 1.800 . 3.500 2.565 2.492 3.576 0.076 14 0 "[ . 1 . 2]" 1
1043 1 69 ILE HA 1 69 ILE HG13 1.800 . 4.300 2.995 2.900 3.506 . 0 0 "[ . 1 . 2]" 1
1044 1 69 ILE HA 1 69 ILE HG12 1.800 . 4.300 2.627 2.531 3.904 . 0 0 "[ . 1 . 2]" 1
1045 1 69 ILE HB 1 69 ILE HG13 1.800 . 2.900 2.520 2.484 2.774 . 0 0 "[ . 1 . 2]" 1
1046 1 69 ILE HB 1 69 ILE HG12 1.800 . 2.900 3.016 2.925 3.024 0.124 20 0 "[ . 1 . 2]" 1
1047 1 69 ILE HG13 1 69 ILE MG 1.800 . 2.900 3.143 3.024 3.164 0.264 8 0 "[ . 1 . 2]" 1
1048 1 69 ILE HG12 1 69 ILE MG 1.800 . 2.900 2.234 2.128 2.305 . 0 0 "[ . 1 . 2]" 1
1049 1 69 ILE HA 1 69 ILE MG 1.800 . 2.900 2.289 2.240 2.343 . 0 0 "[ . 1 . 2]" 1
1050 1 69 ILE HA 1 69 ILE MD 1.800 . 5.000 3.841 3.816 4.043 . 0 0 "[ . 1 . 2]" 1
1051 1 69 ILE H 1 69 ILE MD 1.800 . 5.000 3.438 3.345 3.613 . 0 0 "[ . 1 . 2]" 1
1052 1 69 ILE H 1 69 ILE HG13 1.800 . 3.500 2.012 1.956 2.049 . 0 0 "[ . 1 . 2]" 1
1053 1 69 ILE H 1 69 ILE HG12 1.800 . 5.000 3.304 2.314 3.419 . 0 0 "[ . 1 . 2]" 1
1054 1 69 ILE H 1 69 ILE MG 1.800 . 3.500 3.668 2.420 3.738 0.238 15 0 "[ . 1 . 2]" 1
1055 1 8 ALA HA 1 69 ILE MD 1.800 . 5.000 2.880 2.327 4.218 . 0 0 "[ . 1 . 2]" 1
1056 1 24 VAL QG 1 69 ILE QG 1.800 . 5.000 3.618 3.145 5.035 0.035 7 0 "[ . 1 . 2]" 1
1057 1 26 VAL QG 1 69 ILE HB 1.800 . 5.000 4.352 3.992 4.781 . 0 0 "[ . 1 . 2]" 1
1058 1 26 VAL HA 1 69 ILE H 1.800 . 6.000 6.026 5.872 6.076 0.076 8 0 "[ . 1 . 2]" 1
1059 1 26 VAL HB 1 69 ILE MD 1.800 . 5.000 2.447 2.124 2.814 . 0 0 "[ . 1 . 2]" 1
1060 1 26 VAL HA 1 69 ILE MD 1.800 . 5.000 2.568 2.221 3.775 . 0 0 "[ . 1 . 2]" 1
1061 1 26 VAL HA 1 69 ILE MG 1.800 . 5.000 4.818 3.989 5.074 0.074 17 0 "[ . 1 . 2]" 1
1062 1 26 VAL HB 1 69 ILE MG 1.800 . 5.000 3.687 3.297 3.914 . 0 0 "[ . 1 . 2]" 1
1063 1 68 SER HA 1 69 ILE H 1.800 . 3.500 2.314 2.250 2.447 . 0 0 "[ . 1 . 2]" 1
1064 1 68 SER QB 1 69 ILE H 1.800 . 5.000 2.878 2.482 3.554 . 0 0 "[ . 1 . 2]" 1
1065 1 68 SER H 1 69 ILE H 1.800 . 5.000 4.438 4.315 4.517 . 0 0 "[ . 1 . 2]" 1
1066 1 69 ILE HA 1 72 ILE MD 1.800 . 5.000 2.585 2.233 4.316 . 0 0 "[ . 1 . 2]" 1
1067 1 69 ILE HA 1 72 ILE H 1.800 . 5.000 3.477 3.379 3.581 . 0 0 "[ . 1 . 2]" 1
1068 1 69 ILE HA 1 73 ASP H 1.800 . 6.000 4.476 4.155 4.816 . 0 0 "[ . 1 . 2]" 1
1069 1 69 ILE H 1 70 ARG H 1.800 . 3.500 2.662 2.616 2.734 . 0 0 "[ . 1 . 2]" 1
1070 1 70 ARG HA 1 70 ARG HG2 1.800 . 3.500 2.681 2.405 3.635 0.135 6 0 "[ . 1 . 2]" 1
1071 1 70 ARG QB 1 70 ARG QG 1.800 . 3.500 2.107 2.100 2.108 . 0 0 "[ . 1 . 2]" 1
1072 1 70 ARG H 1 70 ARG QD 1.800 . 5.000 4.209 3.478 4.818 . 0 0 "[ . 1 . 2]" 1
1073 1 70 ARG QB 1 70 ARG HD3 1.800 . 5.000 3.013 2.303 3.304 . 0 0 "[ . 1 . 2]" 1
1074 1 70 ARG QB 1 70 ARG HD2 1.800 . 5.000 2.582 2.393 3.297 . 0 0 "[ . 1 . 2]" 1
1075 1 70 ARG HD3 1 70 ARG HE 1.800 . 2.900 2.805 2.354 2.944 0.044 10 0 "[ . 1 . 2]" 1
1076 1 70 ARG HD2 1 70 ARG HE 1.800 . 2.900 2.775 2.369 2.926 0.026 5 0 "[ . 1 . 2]" 1
1077 1 70 ARG QB 1 70 ARG HE 1.800 . 5.000 2.296 1.775 4.199 0.025 10 0 "[ . 1 . 2]" 1
1078 1 70 ARG HE 1 70 ARG QG 1.800 . 3.500 2.684 2.385 3.270 . 0 0 "[ . 1 . 2]" 1
1079 1 70 ARG H 1 70 ARG HE 1.800 . 5.000 4.106 3.487 4.923 . 0 0 "[ . 1 . 2]" 1
1080 1 69 ILE QG 1 70 ARG HA 1.800 . 6.000 5.674 3.945 5.772 . 0 0 "[ . 1 . 2]" 1
1081 1 70 ARG HA 1 71 SER H 1.800 . 5.000 3.560 3.553 3.567 . 0 0 "[ . 1 . 2]" 1
1082 1 70 ARG HA 1 73 ASP HB3 1.800 . 5.000 3.154 2.692 4.134 . 0 0 "[ . 1 . 2]" 1
1083 1 70 ARG HA 1 73 ASP HB2 1.800 . 5.000 2.987 2.542 3.354 . 0 0 "[ . 1 . 2]" 1
1084 1 69 ILE HA 1 70 ARG H 1.800 . 5.000 3.546 3.540 3.557 . 0 0 "[ . 1 . 2]" 1
1085 1 69 ILE MG 1 70 ARG H 1.800 . 5.000 3.603 3.502 4.058 . 0 0 "[ . 1 . 2]" 1
1086 1 70 ARG H 1 71 SER H 1.800 . 3.500 2.758 2.732 2.794 . 0 0 "[ . 1 . 2]" 1
1087 1 70 ARG H 1 71 SER HA 1.800 . 6.000 5.382 5.357 5.408 . 0 0 "[ . 1 . 2]" 1
1088 1 70 ARG HA 1 72 ILE H 1.800 . 5.000 4.330 4.180 4.517 . 0 0 "[ . 1 . 2]" 1
1089 1 70 ARG HA 1 73 ASP H 1.800 . 5.000 3.306 3.179 3.435 . 0 0 "[ . 1 . 2]" 1
1090 1 70 ARG H 1 73 ASP H 1.800 . 5.000 4.856 4.714 5.017 0.017 11 0 "[ . 1 . 2]" 1
1091 1 70 ARG H 1 72 ILE H 1.800 . 5.000 4.297 4.203 4.382 . 0 0 "[ . 1 . 2]" 1
1092 1 71 SER H 1 71 SER HB3 1.800 . 3.500 3.071 2.441 3.604 0.104 7 0 "[ . 1 . 2]" 1
1093 1 71 SER H 1 71 SER HB2 1.800 . 3.500 2.878 2.460 3.598 0.098 12 0 "[ . 1 . 2]" 1
1094 1 70 ARG HE 1 71 SER H 1.800 . 5.000 4.475 3.969 5.107 0.107 10 0 "[ . 1 . 2]" 1
1095 1 71 SER H 1 72 ILE H 1.800 . 3.500 2.731 2.654 2.803 . 0 0 "[ . 1 . 2]" 1
1096 1 71 SER H 1 73 ASP H 1.800 . 5.000 4.156 4.070 4.285 . 0 0 "[ . 1 . 2]" 1
1097 1 71 SER HA 1 74 ALA H 1.800 . 5.000 3.571 3.342 3.736 . 0 0 "[ . 1 . 2]" 1
1098 1 71 SER H 1 74 ALA H 1.800 . 5.000 5.010 4.903 5.095 0.095 9 0 "[ . 1 . 2]" 1
1099 1 71 SER HA 1 74 ALA MB 1.800 . 5.000 3.020 2.762 3.212 . 0 0 "[ . 1 . 2]" 1
1100 1 72 ILE HB 1 72 ILE MD 1.800 . 2.900 2.316 2.216 3.170 0.270 7 0 "[ . 1 . 2]" 1
1101 1 72 ILE MD 1 72 ILE MG 1.800 . 2.900 1.966 1.795 2.086 0.005 18 0 "[ . 1 . 2]" 1
1102 1 72 ILE HA 1 72 ILE MG 1.800 . 2.900 2.298 2.217 2.364 . 0 0 "[ . 1 . 2]" 1
1103 1 72 ILE QG 1 72 ILE MG 1.800 . 2.900 2.237 2.137 2.291 . 0 0 "[ . 1 . 2]" 1
1104 1 72 ILE HA 1 72 ILE MD 1.800 . 5.000 3.734 2.015 3.840 . 0 0 "[ . 1 . 2]" 1
1105 1 72 ILE HA 1 72 ILE HG12 1.800 . 3.500 2.588 2.509 3.341 . 0 0 "[ . 1 . 2]" 1
1106 1 72 ILE H 1 72 ILE HB 1.800 . 3.500 2.514 2.489 2.623 . 0 0 "[ . 1 . 2]" 1
1107 1 72 ILE H 1 72 ILE MG 1.800 . 3.500 3.742 3.738 3.747 0.247 16 0 "[ . 1 . 2]" 1
1108 1 72 ILE H 1 72 ILE QG 1.800 . 2.900 2.007 1.920 2.057 . 0 0 "[ . 1 . 2]" 1
1109 1 72 ILE H 1 72 ILE MD 1.800 . 3.500 3.419 2.586 3.495 . 0 0 "[ . 1 . 2]" 1
1110 1 71 SER HA 1 72 ILE H 1.800 . 5.000 3.556 3.539 3.567 . 0 0 "[ . 1 . 2]" 1
1111 1 65 HIS HE2 1 72 ILE MD 1.800 . 6.000 5.401 3.160 6.034 0.034 17 0 "[ . 1 . 2]" 1
1112 1 69 ILE HA 1 72 ILE HB 1.800 . 5.000 3.181 3.003 3.492 . 0 0 "[ . 1 . 2]" 1
1113 1 72 ILE H 1 73 ASP QB 1.800 . 5.000 4.430 4.342 4.600 . 0 0 "[ . 1 . 2]" 1
1114 1 72 ILE H 1 73 ASP H 1.800 . 5.000 2.634 2.592 2.672 . 0 0 "[ . 1 . 2]" 1
1115 1 72 ILE H 1 74 ALA H 1.800 . 5.000 4.221 4.141 4.342 . 0 0 "[ . 1 . 2]" 1
1116 1 72 ILE H 1 75 PHE H 1.800 . 5.000 5.019 4.973 5.070 0.070 11 0 "[ . 1 . 2]" 1
1117 1 73 ASP H 1 73 ASP HB3 1.800 . 3.500 2.834 2.656 3.599 0.099 18 0 "[ . 1 . 2]" 1
1118 1 73 ASP H 1 73 ASP HB2 1.800 . 3.500 2.422 2.327 2.496 . 0 0 "[ . 1 . 2]" 1
1119 1 73 ASP QB 1 74 ALA H 1.800 . 5.000 2.579 2.503 2.633 . 0 0 "[ . 1 . 2]" 1
1120 1 73 ASP H 1 74 ALA MB 1.800 . 5.000 4.418 4.333 4.497 . 0 0 "[ . 1 . 2]" 1
1121 1 72 ILE QG 1 73 ASP HA 1.800 . 6.000 5.770 5.708 5.785 . 0 0 "[ . 1 . 2]" 1
1122 1 72 ILE MD 1 73 ASP H 1.800 . 5.000 4.447 4.322 4.524 . 0 0 "[ . 1 . 2]" 1
1123 1 72 ILE MG 1 73 ASP H 1.800 . 5.000 3.542 3.466 3.700 . 0 0 "[ . 1 . 2]" 1
1124 1 72 ILE HB 1 73 ASP H 1.800 . 3.500 2.604 2.538 2.644 . 0 0 "[ . 1 . 2]" 1
1125 1 73 ASP HA 1 74 ALA H 1.800 . 5.000 3.557 3.544 3.568 . 0 0 "[ . 1 . 2]" 1
1126 1 73 ASP HA 1 76 VAL H 1.800 . 5.000 3.554 3.394 3.756 . 0 0 "[ . 1 . 2]" 1
1127 1 73 ASP HA 1 76 VAL HB 1.800 . 5.000 2.691 2.422 3.049 . 0 0 "[ . 1 . 2]" 1
1128 1 73 ASP QB 1 74 ALA MB 1.800 . 5.000 3.868 3.813 3.927 . 0 0 "[ . 1 . 2]" 1
1129 1 74 ALA H 1 74 ALA MB 1.800 . 2.900 2.156 2.055 2.259 . 0 0 "[ . 1 . 2]" 1
1130 1 74 ALA H 1 74 ALA HA 1.800 . 2.900 2.862 2.849 2.872 . 0 0 "[ . 1 . 2]" 1
1131 1 73 ASP H 1 74 ALA H 1.800 . 5.000 2.773 2.729 2.819 . 0 0 "[ . 1 . 2]" 1
1132 1 74 ALA HA 1 77 VAL HB 1.800 . 5.000 2.533 2.401 2.740 . 0 0 "[ . 1 . 2]" 1
1133 1 72 ILE HA 1 74 ALA MB 1.800 . 5.000 4.755 4.542 4.939 . 0 0 "[ . 1 . 2]" 1
1134 1 74 ALA H 1 77 VAL H 1.800 . 5.000 4.609 4.407 4.754 . 0 0 "[ . 1 . 2]" 1
1135 1 74 ALA H 1 76 VAL H 1.800 . 5.000 4.259 4.145 4.364 . 0 0 "[ . 1 . 2]" 1
1136 1 74 ALA H 1 78 GLY H 1.800 . 6.000 5.915 5.446 6.090 0.090 17 0 "[ . 1 . 2]" 1
1137 1 75 PHE HA 1 75 PHE HB3 1.800 . 2.900 2.998 2.527 3.024 0.124 11 0 "[ . 1 . 2]" 1
1138 1 75 PHE H 1 75 PHE HB3 1.800 . 3.500 2.652 2.520 3.605 0.105 19 0 "[ . 1 . 2]" 1
1139 1 75 PHE H 1 75 PHE HB2 1.800 . 3.500 2.515 2.420 2.614 . 0 0 "[ . 1 . 2]" 1
1140 1 72 ILE HA 1 75 PHE HB2 1.800 . 5.000 3.540 2.824 3.920 . 0 0 "[ . 1 . 2]" 1
1141 1 72 ILE HA 1 75 PHE HB3 1.800 . 5.000 3.145 2.925 4.490 . 0 0 "[ . 1 . 2]" 1
1142 1 72 ILE HA 1 75 PHE H 1.800 . 3.500 3.390 3.254 3.510 0.010 3 0 "[ . 1 . 2]" 1
1143 1 72 ILE MG 1 75 PHE H 1.800 . 5.000 4.389 4.226 4.642 . 0 0 "[ . 1 . 2]" 1
1144 1 74 ALA HA 1 75 PHE H 1.800 . 3.500 3.560 3.548 3.575 0.075 11 0 "[ . 1 . 2]" 1
1145 1 74 ALA MB 1 75 PHE H 1.800 . 3.500 2.538 2.412 2.657 . 0 0 "[ . 1 . 2]" 1
1146 1 73 ASP H 1 75 PHE H 1.800 . 5.000 4.338 4.250 4.428 . 0 0 "[ . 1 . 2]" 1
1147 1 75 PHE H 1 78 GLY H 1.800 . 5.000 4.721 4.553 4.833 . 0 0 "[ . 1 . 2]" 1
1148 1 76 VAL HA 1 76 VAL MG1 1.800 . 3.500 2.377 2.333 2.401 . 0 0 "[ . 1 . 2]" 1
1149 1 76 VAL HA 1 76 VAL MG2 1.800 . 3.500 2.293 2.213 2.404 . 0 0 "[ . 1 . 2]" 1
1150 1 76 VAL H 1 76 VAL HB 1.800 . 3.500 2.400 2.368 2.581 . 0 0 "[ . 1 . 2]" 1
1151 1 76 VAL H 1 76 VAL MG2 1.800 . 2.900 2.296 2.063 2.449 . 0 0 "[ . 1 . 2]" 1
1152 1 76 VAL H 1 76 VAL MG1 1.800 . 3.500 3.728 3.722 3.735 0.235 17 0 "[ . 1 . 2]" 1
1153 1 65 HIS HE1 1 76 VAL H 1.800 . 5.000 4.784 4.115 5.066 0.066 11 0 "[ . 1 . 2]" 1
1154 1 75 PHE HA 1 76 VAL H 1.800 . 4.300 3.570 3.554 3.578 . 0 0 "[ . 1 . 2]" 1
1155 1 75 PHE HB3 1 76 VAL H 1.800 . 4.300 2.478 2.365 3.478 . 0 0 "[ . 1 . 2]" 1
1156 1 75 PHE HB2 1 76 VAL H 1.800 . 4.300 3.703 2.539 3.832 . 0 0 "[ . 1 . 2]" 1
1157 1 76 VAL H 1 77 VAL QG 1.800 . 5.000 4.275 4.191 4.349 . 0 0 "[ . 1 . 2]" 1
1158 1 76 VAL H 1 78 GLY H 1.800 . 5.000 4.185 4.066 4.272 . 0 0 "[ . 1 . 2]" 1
1159 1 76 VAL HA 1 79 ALA MB 1.800 . 6.000 3.111 2.488 3.343 . 0 0 "[ . 1 . 2]" 1
1160 1 76 VAL HB 1 77 VAL QG 1.800 . 5.000 3.386 3.273 3.484 . 0 0 "[ . 1 . 2]" 1
1161 1 76 VAL HB 1 77 VAL H 1.800 . 4.300 2.583 2.508 2.631 . 0 0 "[ . 1 . 2]" 1
1162 1 76 VAL QG 1 80 THR HG1 1.800 . 5.000 2.567 1.954 3.681 . 0 0 "[ . 1 . 2]" 1
1163 1 76 VAL QG 1 77 VAL HA 1.800 . 5.000 3.320 3.216 3.756 . 0 0 "[ . 1 . 2]" 1
1164 1 75 PHE HB2 1 76 VAL QG 1.800 . 5.000 4.533 3.204 4.677 . 0 0 "[ . 1 . 2]" 1
1165 1 75 PHE HB3 1 76 VAL QG 1.800 . 5.000 3.157 2.885 3.854 . 0 0 "[ . 1 . 2]" 1
1166 1 76 VAL QG 1 77 VAL QG 1.800 . 3.500 3.194 2.952 3.649 0.149 17 0 "[ . 1 . 2]" 1
1167 1 76 VAL H 1 77 VAL H 1.800 . 2.900 2.699 2.652 2.747 . 0 0 "[ . 1 . 2]" 1
1168 1 76 VAL HA 1 77 VAL H 1.800 . 5.000 3.573 3.553 3.597 . 0 0 "[ . 1 . 2]" 1
1169 1 77 VAL HA 1 77 VAL MG1 1.800 . 3.500 2.390 2.356 2.444 . 0 0 "[ . 1 . 2]" 1
1170 1 77 VAL HA 1 77 VAL MG2 1.800 . 3.500 2.279 2.202 2.337 . 0 0 "[ . 1 . 2]" 1
1171 1 77 VAL H 1 77 VAL HB 1.800 . 3.500 2.386 2.348 2.411 . 0 0 "[ . 1 . 2]" 1
1172 1 77 VAL H 1 77 VAL MG1 1.800 . 3.500 3.727 3.719 3.732 0.232 4 0 "[ . 1 . 2]" 1
1173 1 77 VAL H 1 77 VAL MG2 1.800 . 3.500 2.337 2.251 2.432 . 0 0 "[ . 1 . 2]" 1
1174 1 2 GLN QB 1 77 VAL MG2 1.800 . 3.500 2.624 2.030 3.469 . 0 0 "[ . 1 . 2]" 1
1175 1 74 ALA HA 1 77 VAL H 1.800 . 3.500 3.541 3.445 3.629 0.129 19 0 "[ . 1 . 2]" 1
1176 1 76 VAL QG 1 77 VAL H 1.800 . 5.000 3.110 3.034 3.287 . 0 0 "[ . 1 . 2]" 1
1177 1 77 VAL HB 1 78 GLY H 1.800 . 3.500 2.601 2.532 2.677 . 0 0 "[ . 1 . 2]" 1
1178 1 77 VAL H 1 78 GLY H 1.800 . 3.500 2.720 2.654 2.774 . 0 0 "[ . 1 . 2]" 1
1179 1 77 VAL HA 1 78 GLY H 1.800 . 5.000 3.554 3.543 3.568 . 0 0 "[ . 1 . 2]" 1
1180 1 77 VAL H 1 79 ALA H 1.800 . 5.000 4.162 3.983 4.246 . 0 0 "[ . 1 . 2]" 1
1181 1 77 VAL MG1 1 78 GLY H 1.800 . 5.000 3.233 3.132 3.333 . 0 0 "[ . 1 . 2]" 1
1182 1 77 VAL MG2 1 78 GLY H 1.800 . 5.000 3.945 3.914 3.993 . 0 0 "[ . 1 . 2]" 1
1183 1 78 GLY H 1 79 ALA H 1.800 . 2.900 2.739 2.677 2.771 . 0 0 "[ . 1 . 2]" 1
1184 1 78 GLY QA 1 79 ALA H 1.800 . 2.900 2.804 2.736 2.856 . 0 0 "[ . 1 . 2]" 1
1185 1 79 ALA H 1 79 ALA MB 1.800 . 3.500 2.248 2.083 2.338 . 0 0 "[ . 1 . 2]" 1
1186 1 79 ALA H 1 79 ALA HA 1.800 . 2.900 2.957 2.876 2.981 0.081 8 0 "[ . 1 . 2]" 1
1187 1 76 VAL HA 1 79 ALA H 1.800 . 5.000 3.473 3.218 3.659 . 0 0 "[ . 1 . 2]" 1
1188 1 77 VAL HB 1 79 ALA H 1.800 . 5.000 4.988 4.869 5.037 0.037 18 0 "[ . 1 . 2]" 1
1189 1 77 VAL QG 1 79 ALA H 1.800 . 5.000 4.440 4.333 4.594 . 0 0 "[ . 1 . 2]" 1
1190 1 79 ALA MB 1 80 THR HB 1.800 . 6.000 3.999 3.175 4.768 . 0 0 "[ . 1 . 2]" 1
1191 1 80 THR HA 1 80 THR MG 1.800 . 3.500 2.698 2.241 3.185 . 0 0 "[ . 1 . 2]" 1
1192 1 80 THR HA 1 80 THR HB 1.800 . 2.900 2.567 2.318 3.021 0.121 9 0 "[ . 1 . 2]" 1
1193 1 80 THR H 1 80 THR MG 1.800 . 5.000 2.801 2.245 3.992 . 0 0 "[ . 1 . 2]" 1
1194 1 78 GLY QA 1 80 THR H 1.800 . 5.000 4.623 4.293 4.717 . 0 0 "[ . 1 . 2]" 1
1195 1 78 GLY H 1 80 THR H 1.800 . 5.000 4.438 4.313 4.505 . 0 0 "[ . 1 . 2]" 1
1196 1 79 ALA MB 1 80 THR HA 1.800 . 5.000 4.141 4.047 4.345 . 0 0 "[ . 1 . 2]" 1
1197 1 79 ALA MB 1 80 THR H 1.800 . 3.500 2.405 2.311 2.514 . 0 0 "[ . 1 . 2]" 1
1198 1 79 ALA HA 1 80 THR H 1.800 . 3.500 3.574 3.556 3.584 0.084 19 0 "[ . 1 . 2]" 1
1199 1 76 VAL QG 1 80 THR H 1.800 . 5.000 3.235 3.036 3.656 . 0 0 "[ . 1 . 2]" 1
1200 1 80 THR H 1 81 THR H 1.800 . 5.000 4.294 1.613 4.490 0.187 17 0 "[ . 1 . 2]" 1
1201 1 80 THR H 1 81 THR MG 1.800 . 5.000 4.974 4.654 5.028 0.028 10 0 "[ . 1 . 2]" 1
1202 1 80 THR H 1 81 THR HA 1.800 . 6.000 4.759 4.378 4.859 . 0 0 "[ . 1 . 2]" 1
1203 1 80 THR HA 1 81 THR H 1.800 . 3.500 2.380 2.217 3.293 . 0 0 "[ . 1 . 2]" 1
1204 1 80 THR HB 1 81 THR HA 1.800 . 6.000 5.115 4.643 5.785 . 0 0 "[ . 1 . 2]" 1
1205 1 54 ILE MD 1 80 THR MG 1.800 . 5.000 3.003 2.008 4.817 . 0 0 "[ . 1 . 2]" 1
1206 1 81 THR HA 1 81 THR MG 1.800 . 3.500 3.114 2.117 3.172 . 0 0 "[ . 1 . 2]" 1
1207 1 81 THR H 1 81 THR HB 1.800 . 3.500 3.392 3.194 3.461 . 0 0 "[ . 1 . 2]" 1
1208 1 81 THR H 1 81 THR HA 1.800 . 2.900 2.975 2.900 2.991 0.091 14 0 "[ . 1 . 2]" 1
1209 1 81 THR H 1 81 THR MG 1.800 . 5.000 2.117 1.888 3.472 . 0 0 "[ . 1 . 2]" 1
1210 1 79 ALA H 1 81 THR HB 1.800 . 6.300 6.344 5.954 6.429 0.129 10 0 "[ . 1 . 2]" 1
1211 1 79 ALA MB 1 81 THR H 1.800 . 6.000 5.732 3.455 5.888 . 0 0 "[ . 1 . 2]" 1
1212 1 80 THR HA 1 81 THR MG 1.800 . 6.000 3.452 3.182 5.783 . 0 0 "[ . 1 . 2]" 1
1213 1 80 THR HA 1 81 THR HB 1.800 . 6.000 4.746 4.593 6.101 0.101 17 0 "[ . 1 . 2]" 1
1214 1 80 THR MG 1 81 THR H 1.800 . 5.000 3.408 2.053 4.047 . 0 0 "[ . 1 . 2]" 1
1215 1 81 THR HB 1 82 PRO QD 1.800 . 5.000 4.068 3.153 4.134 . 0 0 "[ . 1 . 2]" 1
1216 1 81 THR MG 1 82 PRO QD 1.800 . 5.000 3.977 2.111 4.107 . 0 0 "[ . 1 . 2]" 1
1217 1 82 PRO HA 1 82 PRO HD3 1.800 . 4.300 3.780 3.005 3.966 . 0 0 "[ . 1 . 2]" 1
1218 1 82 PRO HA 1 82 PRO HD2 1.800 . 4.300 3.982 3.849 4.058 . 0 0 "[ . 1 . 2]" 1
1219 1 82 PRO QB 1 83 PRO HD3 1.800 . 5.000 3.234 2.387 4.214 . 0 0 "[ . 1 . 2]" 1
1220 1 83 PRO HB3 1 84 VAL H 1.800 . 5.000 3.580 3.249 4.086 . 0 0 "[ . 1 . 2]" 1
1221 1 83 PRO HB2 1 84 VAL H 1.800 . 3.500 3.296 3.049 3.557 0.057 14 0 "[ . 1 . 2]" 1
1222 1 84 VAL HA 1 85 GLU H 1.800 . 3.500 2.214 2.181 2.266 . 0 0 "[ . 1 . 2]" 1
1223 1 85 GLU H 1 85 GLU HA 1.800 . 2.900 2.943 2.839 2.987 0.087 7 0 "[ . 1 . 2]" 1
1224 1 84 VAL QG 1 85 GLU H 1.800 . 3.500 2.471 2.029 3.531 0.031 12 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 48
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 21.572
_Distance_constraint_stats_list.Viol_max 0.057
_Distance_constraint_stats_list.Viol_rms 0.0057
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0229
_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 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.258 0.042 10 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PHE 0.258 0.042 10 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.025 0.025 19 0 "[ . 1 . 2]"
1 39 LEU 0.017 0.016 8 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.237 0.043 14 0 "[ . 1 . 2]"
1 43 LYS 0.017 0.016 8 0 "[ . 1 . 2]"
1 44 VAL 0.083 0.032 14 0 "[ . 1 . 2]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.212 0.043 14 0 "[ . 1 . 2]"
1 47 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.083 0.032 14 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.009 0.009 11 0 "[ . 1 . 2]"
1 71 SER 0.171 0.057 18 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.009 0.009 11 0 "[ . 1 . 2]"
1 75 PHE 0.474 0.057 18 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.303 0.050 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ALA O 1 8 ALA H 2.000 . 2.500 2.158 1.830 2.387 . 0 0 "[ . 1 . 2]" 2
2 1 4 ALA O 1 8 ALA N 3.000 2.200 3.500 3.114 2.769 3.334 . 0 0 "[ . 1 . 2]" 2
3 1 5 SER O 1 9 GLN H 2.000 . 2.500 2.048 1.857 2.406 . 0 0 "[ . 1 . 2]" 2
4 1 5 SER O 1 9 GLN N 3.000 2.200 3.500 3.011 2.789 3.379 . 0 0 "[ . 1 . 2]" 2
5 1 6 VAL O 1 10 PHE H 2.000 . 2.500 1.662 1.558 1.862 0.042 10 0 "[ . 1 . 2]" 2
6 1 6 VAL O 1 10 PHE N 3.000 2.200 3.500 2.556 2.447 2.741 . 0 0 "[ . 1 . 2]" 2
7 1 7 ILE O 1 11 VAL H 2.000 . 2.500 1.858 1.613 2.103 . 0 0 "[ . 1 . 2]" 2
8 1 7 ILE O 1 11 VAL N 3.000 2.200 3.500 2.810 2.544 3.072 . 0 0 "[ . 1 . 2]" 2
9 1 8 ALA O 1 12 VAL H 2.000 . 2.500 1.819 1.632 2.050 . 0 0 "[ . 1 . 2]" 2
10 1 8 ALA O 1 12 VAL N 3.000 2.200 3.500 2.728 2.535 2.978 . 0 0 "[ . 1 . 2]" 2
11 1 9 GLN O 1 13 GLU H 2.000 . 2.500 1.884 1.699 2.120 . 0 0 "[ . 1 . 2]" 2
12 1 9 GLN O 1 13 GLU N 3.000 2.200 3.500 2.770 2.584 2.972 . 0 0 "[ . 1 . 2]" 2
13 1 38 SER O 1 42 LEU H 2.000 . 2.500 2.076 1.875 2.525 0.025 19 0 "[ . 1 . 2]" 2
14 1 38 SER O 1 42 LEU N 3.000 2.200 3.500 2.996 2.796 3.445 . 0 0 "[ . 1 . 2]" 2
15 1 39 LEU O 1 43 LYS H 2.000 . 2.500 2.431 2.298 2.516 0.016 8 0 "[ . 1 . 2]" 2
16 1 39 LEU O 1 43 LYS N 3.000 2.200 3.500 3.378 3.244 3.458 . 0 0 "[ . 1 . 2]" 2
17 1 40 GLY O 1 44 VAL H 2.000 . 2.500 1.822 1.626 2.036 . 0 0 "[ . 1 . 2]" 2
18 1 40 GLY O 1 44 VAL N 3.000 2.200 3.500 2.746 2.539 2.913 . 0 0 "[ . 1 . 2]" 2
19 1 41 LEU O 1 45 ILE H 2.000 . 2.500 2.005 1.714 2.418 . 0 0 "[ . 1 . 2]" 2
20 1 41 LEU O 1 45 ILE N 3.000 2.200 3.500 2.938 2.660 3.318 . 0 0 "[ . 1 . 2]" 2
21 1 42 LEU O 1 46 ALA H 2.000 . 2.500 2.395 2.147 2.543 0.043 14 0 "[ . 1 . 2]" 2
22 1 42 LEU O 1 46 ALA N 3.000 2.200 3.500 3.365 3.121 3.514 0.014 14 0 "[ . 1 . 2]" 2
23 1 43 LYS O 1 47 TRP H 2.000 . 2.500 1.972 1.809 2.301 . 0 0 "[ . 1 . 2]" 2
24 1 43 LYS O 1 47 TRP N 3.000 2.200 3.500 2.867 2.675 3.215 . 0 0 "[ . 1 . 2]" 2
25 1 44 VAL O 1 48 LEU H 2.000 . 2.500 1.687 1.568 1.956 0.032 14 0 "[ . 1 . 2]" 2
26 1 44 VAL O 1 48 LEU N 3.000 2.200 3.500 2.633 2.492 2.911 . 0 0 "[ . 1 . 2]" 2
27 1 45 ILE O 1 49 GLU H 2.000 . 2.500 2.182 2.049 2.385 . 0 0 "[ . 1 . 2]" 2
28 1 45 ILE O 1 49 GLU N 3.000 2.200 3.500 3.140 2.962 3.339 . 0 0 "[ . 1 . 2]" 2
29 1 46 ALA O 1 50 ASP H 2.000 . 2.500 2.133 1.937 2.487 . 0 0 "[ . 1 . 2]" 2
30 1 46 ALA O 1 50 ASP N 3.000 2.200 3.500 3.016 2.802 3.393 . 0 0 "[ . 1 . 2]" 2
31 1 47 TRP O 1 51 ARG H 2.000 . 2.500 2.049 1.617 2.389 . 0 0 "[ . 1 . 2]" 2
32 1 47 TRP O 1 51 ARG N 3.000 2.200 3.500 2.988 2.526 3.291 . 0 0 "[ . 1 . 2]" 2
33 1 48 LEU O 1 52 PHE H 2.000 . 2.500 1.997 1.902 2.171 . 0 0 "[ . 1 . 2]" 2
34 1 48 LEU O 1 52 PHE N 3.000 2.200 3.500 2.871 2.728 3.148 . 0 0 "[ . 1 . 2]" 2
35 1 69 ILE O 1 73 ASP H 2.000 . 2.500 2.200 1.961 2.494 . 0 0 "[ . 1 . 2]" 2
36 1 69 ILE O 1 73 ASP N 3.000 2.200 3.500 3.124 2.909 3.384 . 0 0 "[ . 1 . 2]" 2
37 1 70 ARG O 1 74 ALA H 2.000 . 2.500 2.319 2.159 2.509 0.009 11 0 "[ . 1 . 2]" 2
38 1 70 ARG O 1 74 ALA N 3.000 2.200 3.500 3.225 3.075 3.386 . 0 0 "[ . 1 . 2]" 2
39 1 71 SER O 1 75 PHE H 2.000 . 2.500 2.453 2.335 2.557 0.057 18 0 "[ . 1 . 2]" 2
40 1 71 SER O 1 75 PHE N 3.000 2.200 3.500 3.392 3.305 3.480 . 0 0 "[ . 1 . 2]" 2
41 1 72 ILE O 1 76 VAL H 2.000 . 2.500 1.975 1.784 2.187 . 0 0 "[ . 1 . 2]" 2
42 1 72 ILE O 1 76 VAL N 3.000 2.200 3.500 2.947 2.758 3.153 . 0 0 "[ . 1 . 2]" 2
43 1 73 ASP O 1 77 VAL H 2.000 . 2.500 1.796 1.610 2.035 . 0 0 "[ . 1 . 2]" 2
44 1 73 ASP O 1 77 VAL N 3.000 2.200 3.500 2.731 2.506 2.972 . 0 0 "[ . 1 . 2]" 2
45 1 74 ALA O 1 78 GLY H 2.000 . 2.500 1.984 1.714 2.252 . 0 0 "[ . 1 . 2]" 2
46 1 74 ALA O 1 78 GLY N 3.000 2.200 3.500 2.912 2.615 3.169 . 0 0 "[ . 1 . 2]" 2
47 1 75 PHE O 1 79 ALA H 2.000 . 2.500 2.428 2.117 2.550 0.050 8 0 "[ . 1 . 2]" 2
48 1 75 PHE O 1 79 ALA N 3.000 2.200 3.500 3.276 3.043 3.385 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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