NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
371079 |
1c6s   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1c6s
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 1635
_Distance_constraint_stats_list.Viol_count 3317
_Distance_constraint_stats_list.Viol_total 6518.956
_Distance_constraint_stats_list.Viol_max 0.993
_Distance_constraint_stats_list.Viol_rms 0.0444
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0983
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 1.525 0.156 16 0 "[ . 1 . 2]"
1 3 LEU 2.356 0.172 18 0 "[ . 1 . 2]"
1 4 ALA 4.654 0.193 18 0 "[ . 1 . 2]"
1 5 ASN 1.354 0.091 10 0 "[ . 1 . 2]"
1 6 GLY 2.127 0.291 18 0 "[ . 1 . 2]"
1 7 ALA 5.693 0.433 18 0 "[ . 1 . 2]"
1 8 LYS 12.400 0.395 17 0 "[ . 1 . 2]"
1 9 VAL 3.863 0.219 4 0 "[ . 1 . 2]"
1 10 PHE 7.161 0.232 18 0 "[ . 1 . 2]"
1 11 SER 6.654 0.261 7 0 "[ . 1 . 2]"
1 12 GLY 6.435 0.244 14 0 "[ . 1 . 2]"
1 13 ASN 3.434 0.728 3 1 "[ + . 1 . 2]"
1 14 CYS 1.118 0.475 20 0 "[ . 1 . 2]"
1 15 ALA 0.734 0.084 4 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 2.315 0.182 17 0 "[ . 1 . 2]"
1 18 HIS 4.522 0.232 13 0 "[ . 1 . 2]"
1 19 MET 14.725 0.933 3 9 "[**+ * * 1 * .* -*]"
1 20 GLY 9.344 0.933 3 9 "[**+ * * 1 * .* -*]"
1 21 GLY 4.518 0.274 2 0 "[ . 1 . 2]"
1 22 GLY 2.608 0.370 12 0 "[ . 1 . 2]"
1 23 ASN 2.540 0.614 12 1 "[ . 1 + . 2]"
1 24 VAL 0.851 0.290 1 0 "[ . 1 . 2]"
1 25 VAL 0.453 0.097 9 0 "[ . 1 . 2]"
1 26 MET 2.940 0.351 17 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 3.205 0.209 16 0 "[ . 1 . 2]"
1 29 LYS 2.112 0.413 18 0 "[ . 1 . 2]"
1 30 THR 2.919 0.252 15 0 "[ . 1 . 2]"
1 31 LEU 5.708 0.614 12 1 "[ . 1 + . 2]"
1 32 LYS 3.810 0.993 4 3 "[ +. -*1 . 2]"
1 33 LYS 1.993 0.200 11 0 "[ . 1 . 2]"
1 34 GLU 8.447 0.993 4 3 "[ +. -*1 . 2]"
1 35 ALA 9.084 0.267 11 0 "[ . 1 . 2]"
1 36 LEU 5.420 0.363 15 0 "[ . 1 . 2]"
1 37 GLU 5.620 0.255 4 0 "[ . 1 . 2]"
1 38 GLN 18.783 0.952 11 7 "[ **- *+* . *]"
1 39 PHE 21.547 0.952 11 7 "[ *** *+* . -]"
1 40 GLY 2.211 0.299 8 0 "[ . 1 . 2]"
1 41 MET 1.494 0.270 8 0 "[ . 1 . 2]"
1 42 TYR 2.082 0.121 11 0 "[ . 1 . 2]"
1 43 SER 2.313 0.329 19 0 "[ . 1 . 2]"
1 44 GLU 8.727 0.267 5 0 "[ . 1 . 2]"
1 45 ASP 9.524 0.293 15 0 "[ . 1 . 2]"
1 46 ALA 5.058 0.326 8 0 "[ . 1 . 2]"
1 47 ILE 13.990 0.329 19 0 "[ . 1 . 2]"
1 48 ILE 8.674 0.267 5 0 "[ . 1 . 2]"
1 49 TYR 3.639 0.152 12 0 "[ . 1 . 2]"
1 50 GLN 0.798 0.158 19 0 "[ . 1 . 2]"
1 51 VAL 2.610 0.249 5 0 "[ . 1 . 2]"
1 52 GLN 11.159 0.249 5 0 "[ . 1 . 2]"
1 53 HIS 10.827 0.386 5 0 "[ . 1 . 2]"
1 54 GLY 8.498 0.449 10 0 "[ . 1 . 2]"
1 55 LYS 12.548 0.449 10 0 "[ . 1 . 2]"
1 56 ASN 0.277 0.113 10 0 "[ . 1 . 2]"
1 57 ALA 0.003 0.002 7 0 "[ . 1 . 2]"
1 58 MET 6.294 0.211 20 0 "[ . 1 . 2]"
1 59 PRO 6.230 0.143 18 0 "[ . 1 . 2]"
1 60 ALA 1.944 0.188 2 0 "[ . 1 . 2]"
1 61 PHE 20.764 0.797 2 6 "[ +**. - 1 . ** 2]"
1 62 ALA 2.247 0.188 2 0 "[ . 1 . 2]"
1 63 GLY 6.160 0.797 2 6 "[ +**. - 1 . ** 2]"
1 64 ARG 8.031 0.442 3 0 "[ . 1 . 2]"
1 65 LEU 11.788 0.728 3 1 "[ + . 1 . 2]"
1 66 THR 17.393 0.442 3 0 "[ . 1 . 2]"
1 67 ASP 3.980 0.347 17 0 "[ . 1 . 2]"
1 68 GLU 1.501 0.179 4 0 "[ . 1 . 2]"
1 69 GLN 15.200 0.469 9 0 "[ . 1 . 2]"
1 70 ILE 5.453 0.347 17 0 "[ . 1 . 2]"
1 71 GLN 11.947 0.268 1 0 "[ . 1 . 2]"
1 72 ASP 5.681 0.224 14 0 "[ . 1 . 2]"
1 73 VAL 7.023 0.291 18 0 "[ . 1 . 2]"
1 74 ALA 5.856 0.219 17 0 "[ . 1 . 2]"
1 75 ALA 3.788 0.224 14 0 "[ . 1 . 2]"
1 76 TYR 10.072 0.469 9 0 "[ . 1 . 2]"
1 77 VAL 8.352 0.284 11 0 "[ . 1 . 2]"
1 78 LEU 3.807 0.241 12 0 "[ . 1 . 2]"
1 79 ASP 14.163 0.485 6 0 "[ . 1 . 2]"
1 80 GLN 10.566 0.773 6 2 "[ .+ 1 . - 2]"
1 81 ALA 2.161 0.147 12 0 "[ . 1 . 2]"
1 82 ALA 5.345 0.217 6 0 "[ . 1 . 2]"
1 83 LYS 5.724 0.306 6 0 "[ . 1 . 2]"
1 84 GLY 2.965 0.207 10 0 "[ . 1 . 2]"
1 85 TRP 18.684 0.773 6 3 "[ .+ -1 . * 2]"
1 86 ALA 5.545 0.181 12 0 "[ . 1 . 2]"
1 87 GLY 4.135 0.542 9 1 "[ . +1 . 2]"
2 1 HEC 8.487 0.475 20 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 10 PHE HA 1 10 PHE QD 1.800 . 3.200 3.087 2.935 3.167 . 0 0 "[ . 1 . 2]" 1
2 1 10 PHE HA 1 10 PHE QE 1.800 . 5.500 4.643 4.515 4.760 . 0 0 "[ . 1 . 2]" 1
3 1 10 PHE H 1 10 PHE HB3 1.800 . 4.000 2.527 2.371 2.654 . 0 0 "[ . 1 . 2]" 1
4 1 10 PHE H 1 10 PHE HB2 1.800 . 4.000 2.609 2.367 2.949 . 0 0 "[ . 1 . 2]" 1
5 1 10 PHE H 1 10 PHE QD 1.800 . 4.500 4.141 3.994 4.201 . 0 0 "[ . 1 . 2]" 1
6 1 11 SER H 1 11 SER QB 1.800 . 3.200 2.381 2.179 2.549 . 0 0 "[ . 1 . 2]" 1
7 1 12 GLY H 1 12 GLY HA3 1.800 . 2.700 2.683 2.415 2.767 0.067 11 0 "[ . 1 . 2]" 1
8 1 12 GLY H 1 12 GLY HA2 1.800 . 2.700 2.911 2.875 2.944 0.244 14 0 "[ . 1 . 2]" 1
9 1 13 ASN HA 1 13 ASN HD21 1.800 . 5.500 4.081 3.455 4.405 . 0 0 "[ . 1 . 2]" 1
10 1 13 ASN HA 1 13 ASN HD22 1.800 . 5.500 4.635 4.149 4.867 . 0 0 "[ . 1 . 2]" 1
11 1 13 ASN H 1 13 ASN HB3 1.800 . 4.000 3.936 3.783 4.032 0.032 15 0 "[ . 1 . 2]" 1
12 1 13 ASN H 1 13 ASN HD22 1.800 . 5.500 3.898 3.207 4.429 . 0 0 "[ . 1 . 2]" 1
13 1 13 ASN H 1 13 ASN HD21 1.800 . 5.500 2.985 1.832 3.886 . 0 0 "[ . 1 . 2]" 1
14 1 15 ALA H 1 15 ALA MB 1.800 . 3.200 2.193 2.036 2.315 . 0 0 "[ . 1 . 2]" 1
15 1 16 ALA H 1 16 ALA MB 1.800 . 3.200 2.142 2.032 2.261 . 0 0 "[ . 1 . 2]" 1
16 1 17 CYS HA 1 17 CYS HB3 1.800 . 2.700 2.552 2.419 2.873 0.173 16 0 "[ . 1 . 2]" 1
17 1 17 CYS H 1 17 CYS HB3 1.800 . 4.000 3.643 3.168 3.867 . 0 0 "[ . 1 . 2]" 1
18 1 18 HIS HA 1 18 HIS HD1 1.800 . 4.000 2.875 2.483 3.083 . 0 0 "[ . 1 . 2]" 1
19 1 18 HIS HA 1 18 HIS QB 1.800 . 2.700 2.408 2.366 2.478 . 0 0 "[ . 1 . 2]" 1
20 1 18 HIS H 1 18 HIS HD2 1.800 . 5.500 3.916 3.554 4.328 . 0 0 "[ . 1 . 2]" 1
21 1 18 HIS QB 1 18 HIS HE1 1.800 . 4.500 4.411 4.383 4.443 . 0 0 "[ . 1 . 2]" 1
22 1 19 MET HA 1 19 MET HB3 1.800 . 2.700 2.624 2.294 2.887 0.187 15 0 "[ . 1 . 2]" 1
23 1 19 MET H 1 19 MET HB3 1.800 . 4.000 3.506 2.843 4.027 0.027 12 0 "[ . 1 . 2]" 1
24 1 19 MET HA 1 19 MET HB2 1.800 . 2.700 2.715 2.513 2.854 0.154 12 0 "[ . 1 . 2]" 1
25 1 19 MET H 1 19 MET HB2 1.800 . 4.000 3.354 2.088 4.034 0.034 20 0 "[ . 1 . 2]" 1
26 1 19 MET HA 1 19 MET QG 1.800 . 4.000 2.562 1.897 3.311 . 0 0 "[ . 1 . 2]" 1
27 1 19 MET H 1 19 MET QG 1.800 . 5.500 3.149 1.905 3.783 . 0 0 "[ . 1 . 2]" 1
28 1 2 ASP H 1 2 ASP HB2 1.800 . 4.000 3.110 2.631 3.840 . 0 0 "[ . 1 . 2]" 1
29 1 2 ASP H 1 2 ASP HB3 1.800 . 4.000 3.680 2.684 4.096 0.096 17 0 "[ . 1 . 2]" 1
30 1 21 GLY H 1 21 GLY HA3 1.800 . 2.700 2.749 2.713 2.787 0.087 3 0 "[ . 1 . 2]" 1
31 1 23 ASN HB2 1 23 ASN HD22 1.800 . 4.000 3.622 3.516 4.106 0.106 6 0 "[ . 1 . 2]" 1
32 1 23 ASN H 1 23 ASN HD22 1.800 . 5.500 5.294 4.124 5.577 0.077 17 0 "[ . 1 . 2]" 1
33 1 24 VAL HA 1 24 VAL HB 1.800 . 2.700 2.492 2.366 2.990 0.290 1 0 "[ . 1 . 2]" 1
34 1 24 VAL H 1 24 VAL HB 1.800 . 4.000 3.536 2.435 3.943 . 0 0 "[ . 1 . 2]" 1
35 1 24 VAL HA 1 24 VAL QG 1.800 . 3.700 2.283 1.940 2.464 . 0 0 "[ . 1 . 2]" 1
36 1 24 VAL HB 1 24 VAL QG 1.800 . 3.700 1.902 1.879 1.916 . 0 0 "[ . 1 . 2]" 1
37 1 24 VAL H 1 24 VAL QG 1.800 . 3.700 2.050 1.786 2.693 0.014 6 0 "[ . 1 . 2]" 1
38 1 24 VAL MG1 1 24 VAL MG2 1.800 . 4.700 2.025 1.852 2.084 . 0 0 "[ . 1 . 2]" 1
39 1 25 VAL H 1 25 VAL HB 1.800 . 2.700 2.645 2.409 2.797 0.097 9 0 "[ . 1 . 2]" 1
40 1 25 VAL HA 1 25 VAL QG 1.800 . 3.700 2.101 2.002 2.413 . 0 0 "[ . 1 . 2]" 1
41 1 25 VAL HB 1 25 VAL QG 1.800 . 3.700 1.900 1.882 1.916 . 0 0 "[ . 1 . 2]" 1
42 1 25 VAL H 1 25 VAL QG 1.800 . 5.000 2.293 1.820 2.941 . 0 0 "[ . 1 . 2]" 1
43 1 26 MET HB2 1 26 MET HG3 1.800 . 2.700 2.560 2.250 3.029 0.329 6 0 "[ . 1 . 2]" 1
44 1 26 MET H 1 26 MET HG3 1.800 . 4.000 3.339 1.798 4.241 0.241 19 0 "[ . 1 . 2]" 1
45 1 26 MET H 1 26 MET HG2 1.800 . 5.500 3.124 1.999 4.200 . 0 0 "[ . 1 . 2]" 1
46 1 27 ALA H 1 27 ALA MB 1.800 . 3.200 2.422 2.138 2.984 . 0 0 "[ . 1 . 2]" 1
47 1 28 ASN HA 1 28 ASN HB2 1.800 . 2.700 2.449 2.350 2.632 . 0 0 "[ . 1 . 2]" 1
48 1 28 ASN HA 1 28 ASN HB3 1.800 . 2.700 2.503 2.338 2.603 . 0 0 "[ . 1 . 2]" 1
49 1 28 ASN H 1 28 ASN HA 1.800 . 2.700 2.827 2.754 2.909 0.209 16 0 "[ . 1 . 2]" 1
50 1 28 ASN HB3 1 28 ASN HD22 1.800 . 4.000 3.780 3.621 4.119 0.119 8 0 "[ . 1 . 2]" 1
51 1 28 ASN H 1 28 ASN HD21 1.800 . 5.500 2.926 1.868 4.473 . 0 0 "[ . 1 . 2]" 1
52 1 3 LEU HA 1 3 LEU QD 1.800 . 3.700 2.622 1.816 3.199 . 0 0 "[ . 1 . 2]" 1
53 1 3 LEU QB 1 3 LEU QD 1.800 . 7.000 1.837 1.683 1.994 0.117 1 0 "[ . 1 . 2]" 1
54 1 3 LEU QD 1 3 LEU HG 1.800 . 5.000 1.899 1.881 1.914 . 0 0 "[ . 1 . 2]" 1
55 1 3 LEU H 1 3 LEU QB 1.800 . 4.500 2.488 2.146 2.726 . 0 0 "[ . 1 . 2]" 1
56 1 3 LEU H 1 3 LEU QD 1.800 . 6.500 2.519 1.774 3.746 0.026 16 0 "[ . 1 . 2]" 1
57 1 3 LEU H 1 3 LEU HG 1.800 . 4.000 2.625 1.875 4.122 0.122 18 0 "[ . 1 . 2]" 1
58 1 30 THR HA 1 30 THR HG1 1.800 . 3.200 2.203 1.998 2.899 . 0 0 "[ . 1 . 2]" 1
59 1 30 THR HB 1 30 THR HG1 1.800 . 3.200 1.959 1.867 2.068 . 0 0 "[ . 1 . 2]" 1
60 1 30 THR H 1 30 THR HB 1.800 . 2.700 2.735 2.592 2.822 0.122 5 0 "[ . 1 . 2]" 1
61 1 30 THR H 1 30 THR HG1 1.800 . 3.200 2.678 1.965 3.190 . 0 0 "[ . 1 . 2]" 1
62 1 31 LEU HA 1 31 LEU QB 1.800 . 2.700 2.389 2.183 2.526 . 0 0 "[ . 1 . 2]" 1
63 1 31 LEU H 1 31 LEU QB 1.800 . 5.500 2.432 2.127 2.876 . 0 0 "[ . 1 . 2]" 1
64 1 31 LEU HA 1 31 LEU QD 1.800 . 3.700 1.857 1.712 2.217 0.088 17 0 "[ . 1 . 2]" 1
65 1 31 LEU QB 1 31 LEU QD 1.800 . 3.700 1.934 1.843 2.036 . 0 0 "[ . 1 . 2]" 1
66 1 31 LEU MD1 1 31 LEU MD2 1.800 . 4.700 2.004 1.883 2.050 . 0 0 "[ . 1 . 2]" 1
67 1 31 LEU QD 1 31 LEU HG 1.800 . 3.700 1.894 1.887 1.904 . 0 0 "[ . 1 . 2]" 1
68 1 31 LEU H 1 31 LEU QD 1.800 . 6.500 2.460 1.906 3.191 . 0 0 "[ . 1 . 2]" 1
69 1 31 LEU H 1 31 LEU HG 1.800 . 5.500 3.379 1.935 4.313 . 0 0 "[ . 1 . 2]" 1
70 1 32 LYS HA 1 32 LYS QD 1.800 . 4.500 3.712 3.145 4.112 . 0 0 "[ . 1 . 2]" 1
71 1 32 LYS HA 1 32 LYS QE 1.800 . 4.500 4.375 4.005 4.531 0.031 14 0 "[ . 1 . 2]" 1
72 1 32 LYS QB 1 32 LYS QD 1.800 . 6.500 2.168 2.013 2.450 . 0 0 "[ . 1 . 2]" 1
73 1 32 LYS H 1 32 LYS QB 1.800 . 3.200 2.429 2.109 2.882 . 0 0 "[ . 1 . 2]" 1
74 1 32 LYS QD 1 32 LYS QG 1.800 . 3.700 2.038 2.009 2.050 . 0 0 "[ . 1 . 2]" 1
75 1 32 LYS QD 1 32 LYS QZ 1.800 . 6.500 1.977 1.842 2.077 . 0 0 "[ . 1 . 2]" 1
76 1 32 LYS QB 1 32 LYS QE 1.800 . 3.700 2.258 1.859 2.589 . 0 0 "[ . 1 . 2]" 1
77 1 32 LYS HA 1 32 LYS QG 1.800 . 6.000 2.464 1.890 3.320 . 0 0 "[ . 1 . 2]" 1
78 1 32 LYS H 1 32 LYS QG 1.800 . 4.500 2.611 1.798 3.652 0.002 8 0 "[ . 1 . 2]" 1
79 1 32 LYS QG 1 32 LYS QZ 1.800 . 6.500 3.226 2.582 3.498 . 0 0 "[ . 1 . 2]" 1
80 1 32 LYS H 1 32 LYS QD 1.800 . 3.200 2.789 2.219 3.245 0.045 16 0 "[ . 1 . 2]" 1
81 1 32 LYS QE 1 32 LYS QZ 1.800 . 6.500 1.854 1.836 1.874 . 0 0 "[ . 1 . 2]" 1
82 1 32 LYS H 1 32 LYS QZ 1.800 . 6.000 4.327 3.325 5.460 . 0 0 "[ . 1 . 2]" 1
83 1 33 LYS HA 1 33 LYS QG 1.800 . 4.000 3.098 2.487 3.304 . 0 0 "[ . 1 . 2]" 1
84 1 33 LYS HA 1 33 LYS QE 1.800 . 5.500 4.204 2.303 5.218 . 0 0 "[ . 1 . 2]" 1
85 1 33 LYS QD 1 33 LYS QG 1.800 . 4.500 2.047 2.005 2.082 . 0 0 "[ . 1 . 2]" 1
86 1 33 LYS H 1 33 LYS QE 1.800 . 5.500 4.858 3.836 5.323 . 0 0 "[ . 1 . 2]" 1
87 1 33 LYS H 1 33 LYS QG 1.800 . 5.500 3.132 1.863 4.225 . 0 0 "[ . 1 . 2]" 1
88 1 34 GLU HA 1 34 GLU HG3 1.800 . 4.000 3.470 2.681 3.806 . 0 0 "[ . 1 . 2]" 1
89 1 34 GLU HA 1 34 GLU HG2 1.800 . 4.000 2.951 1.919 3.961 . 0 0 "[ . 1 . 2]" 1
90 1 34 GLU H 1 34 GLU HA 1.800 . 2.700 2.822 2.732 2.900 0.200 20 0 "[ . 1 . 2]" 1
91 1 34 GLU H 1 34 GLU QB 1.800 . 3.200 2.458 2.103 2.805 . 0 0 "[ . 1 . 2]" 1
92 1 34 GLU H 1 34 GLU HG3 1.800 . 4.000 2.858 1.796 3.703 0.004 6 0 "[ . 1 . 2]" 1
93 1 34 GLU H 1 34 GLU HG2 1.800 . 4.000 2.654 1.874 3.820 . 0 0 "[ . 1 . 2]" 1
94 1 35 ALA H 1 35 ALA HA 1.800 . 2.700 2.923 2.845 2.967 0.267 11 0 "[ . 1 . 2]" 1
95 1 35 ALA H 1 35 ALA MB 1.800 . 3.200 2.248 2.038 2.384 . 0 0 "[ . 1 . 2]" 1
96 1 36 LEU HA 1 36 LEU MD2 1.800 . 3.700 3.592 3.378 4.063 0.363 15 0 "[ . 1 . 2]" 1
97 1 36 LEU QB 1 36 LEU MD2 1.800 . 4.200 1.966 1.892 2.050 . 0 0 "[ . 1 . 2]" 1
98 1 36 LEU QB 1 36 LEU MD1 1.800 . 5.500 1.974 1.889 2.086 . 0 0 "[ . 1 . 2]" 1
99 1 36 LEU MD1 1 36 LEU MD2 1.800 . 4.700 1.923 1.824 2.034 . 0 0 "[ . 1 . 2]" 1
100 1 36 LEU H 1 36 LEU MD2 1.800 . 5.000 2.142 1.746 3.577 0.054 5 0 "[ . 1 . 2]" 1
101 1 36 LEU H 1 36 LEU MD1 1.800 . 5.000 3.800 3.602 4.091 . 0 0 "[ . 1 . 2]" 1
102 1 36 LEU H 1 36 LEU HG 1.800 . 2.700 2.519 2.154 2.880 0.180 16 0 "[ . 1 . 2]" 1
103 1 37 GLU HA 1 37 GLU QG 1.800 . 4.500 2.211 1.881 2.506 . 0 0 "[ . 1 . 2]" 1
104 1 37 GLU H 1 37 GLU HA 1.800 . 2.700 2.915 2.796 2.955 0.255 4 0 "[ . 1 . 2]" 1
105 1 37 GLU H 1 37 GLU QG 1.800 . 4.500 3.169 2.154 4.065 . 0 0 "[ . 1 . 2]" 1
106 1 38 GLN HA 1 38 GLN HE22 1.800 . 2.700 2.799 2.722 2.900 0.200 18 0 "[ . 1 . 2]" 1
107 1 38 GLN QB 1 38 GLN HG2 1.800 . 2.700 2.216 2.138 2.367 . 0 0 "[ . 1 . 2]" 1
108 1 38 GLN QB 1 38 GLN HG3 1.800 . 2.700 2.283 2.150 2.399 . 0 0 "[ . 1 . 2]" 1
109 1 38 GLN HA 1 38 GLN HE21 1.800 . 5.500 1.908 1.800 2.222 . 20 0 "[ . 1 . 2]" 1
110 1 38 GLN H 1 38 GLN HA 1.800 . 2.700 2.864 2.734 2.919 0.219 18 0 "[ . 1 . 2]" 1
111 1 38 GLN H 1 38 GLN HG3 1.800 . 4.000 4.068 3.420 4.599 0.599 10 2 "[ . - + . 2]" 1
112 1 39 PHE HA 1 39 PHE HB2 1.800 . 2.700 2.729 2.387 3.000 0.300 11 0 "[ . 1 . 2]" 1
113 1 39 PHE HB3 1 39 PHE QD 1.800 . 3.200 2.404 2.269 2.752 . 0 0 "[ . 1 . 2]" 1
114 1 39 PHE HB3 1 39 PHE QE 1.800 . 4.500 4.430 4.383 4.526 0.026 14 0 "[ . 1 . 2]" 1
115 1 39 PHE H 1 39 PHE HA 1.800 . 2.700 2.923 2.915 2.930 0.230 6 0 "[ . 1 . 2]" 1
116 1 4 ALA H 1 4 ALA HA 1.800 . 2.700 2.855 2.833 2.893 0.193 18 0 "[ . 1 . 2]" 1
117 1 4 ALA H 1 4 ALA MB 1.800 . 3.200 2.116 2.048 2.280 . 0 0 "[ . 1 . 2]" 1
118 1 41 MET HA 1 41 MET QG 1.800 . 4.000 3.096 1.909 3.378 . 0 0 "[ . 1 . 2]" 1
119 1 41 MET H 1 41 MET HB2 1.800 . 4.000 3.798 3.175 4.146 0.146 1 0 "[ . 1 . 2]" 1
120 1 42 TYR H 1 42 TYR QD 1.800 . 6.000 3.808 1.924 4.264 . 0 0 "[ . 1 . 2]" 1
121 1 43 SER HA 1 43 SER QB 1.800 . 2.700 2.349 2.170 2.521 . 0 0 "[ . 1 . 2]" 1
122 1 43 SER H 1 43 SER QB 1.800 . 2.700 2.385 2.069 2.702 0.002 17 0 "[ . 1 . 2]" 1
123 1 44 GLU HA 1 44 GLU QG 1.800 . 3.200 2.317 1.920 3.293 0.093 14 0 "[ . 1 . 2]" 1
124 1 44 GLU H 1 44 GLU HA 1.800 . 2.700 2.779 2.756 2.876 0.176 19 0 "[ . 1 . 2]" 1
125 1 44 GLU H 1 44 GLU QB 1.800 . 3.200 2.280 2.074 2.789 . 0 0 "[ . 1 . 2]" 1
126 1 44 GLU H 1 44 GLU QG 1.800 . 4.500 2.806 1.838 3.622 . 0 0 "[ . 1 . 2]" 1
127 1 45 ASP HA 1 45 ASP HB3 1.800 . 2.700 2.985 2.973 2.993 0.293 15 0 "[ . 1 . 2]" 1
128 1 45 ASP HA 1 45 ASP HB2 1.800 . 2.700 2.506 2.422 2.563 . 0 0 "[ . 1 . 2]" 1
129 1 45 ASP H 1 45 ASP HA 1.800 . 2.700 2.771 2.695 2.801 0.101 13 0 "[ . 1 . 2]" 1
130 1 45 ASP H 1 45 ASP HB3 1.800 . 2.700 2.716 2.593 2.791 0.091 18 0 "[ . 1 . 2]" 1
131 1 45 ASP H 1 45 ASP HB2 1.800 . 2.700 2.374 2.249 2.504 . 0 0 "[ . 1 . 2]" 1
132 1 46 ALA H 1 46 ALA MB 1.800 . 3.200 2.162 2.001 2.271 . 0 0 "[ . 1 . 2]" 1
133 1 47 ILE HA 1 47 ILE MD 1.800 . 4.500 3.782 3.705 3.839 . 0 0 "[ . 1 . 2]" 1
134 1 47 ILE HA 1 47 ILE QG 1.800 . 5.000 2.399 2.338 2.513 . 0 0 "[ . 1 . 2]" 1
135 1 47 ILE HA 1 47 ILE MG 1.800 . 3.700 3.136 2.427 3.200 . 0 0 "[ . 1 . 2]" 1
136 1 47 ILE MD 1 47 ILE MG 1.800 . 4.200 1.780 1.695 2.104 0.105 14 0 "[ . 1 . 2]" 1
137 1 47 ILE H 1 47 ILE HB 1.800 . 2.700 2.436 2.328 2.592 . 0 0 "[ . 1 . 2]" 1
138 1 47 ILE H 1 47 ILE MD 1.800 . 4.500 4.170 3.548 4.278 . 0 0 "[ . 1 . 2]" 1
139 1 47 ILE H 1 47 ILE QG 1.800 . 5.000 3.854 2.030 3.990 . 0 0 "[ . 1 . 2]" 1
140 1 48 ILE HA 1 48 ILE MG 1.800 . 5.000 2.541 2.477 2.630 . 0 0 "[ . 1 . 2]" 1
141 1 48 ILE QG 1 48 ILE MG 1.800 . 4.700 2.229 2.081 2.330 . 0 0 "[ . 1 . 2]" 1
142 1 48 ILE H 1 48 ILE HB 1.800 . 2.700 2.284 2.242 2.395 . 0 0 "[ . 1 . 2]" 1
143 1 48 ILE H 1 48 ILE QG 1.800 . 3.700 2.674 2.216 2.904 . 0 0 "[ . 1 . 2]" 1
144 1 48 ILE H 1 48 ILE MG 1.800 . 3.700 3.686 3.633 3.730 0.030 17 0 "[ . 1 . 2]" 1
145 1 49 TYR HA 1 49 TYR QE 1.800 . 4.500 4.586 4.512 4.652 0.152 12 0 "[ . 1 . 2]" 1
146 1 49 TYR HA 1 49 TYR QD 1.800 . 6.000 2.824 2.434 3.076 . 0 0 "[ . 1 . 2]" 1
147 1 49 TYR H 1 49 TYR QD 1.800 . 4.500 4.157 4.053 4.219 . 0 0 "[ . 1 . 2]" 1
148 1 5 ASN H 1 5 ASN HD22 1.800 . 5.500 5.161 4.742 5.516 0.016 14 0 "[ . 1 . 2]" 1
149 1 50 GLN HA 1 50 GLN QG 1.800 . 4.000 3.186 2.906 3.401 . 0 0 "[ . 1 . 2]" 1
150 1 50 GLN H 1 50 GLN HB3 1.800 . 4.000 2.544 2.144 3.349 . 0 0 "[ . 1 . 2]" 1
151 1 50 GLN H 1 50 GLN HB2 1.800 . 4.000 3.379 3.122 3.726 . 0 0 "[ . 1 . 2]" 1
152 1 50 GLN H 1 50 GLN QG 1.800 . 5.500 3.015 1.642 4.005 0.158 19 0 "[ . 1 . 2]" 1
153 1 50 GLN HB3 1 50 GLN HE21 1.800 . 5.500 3.590 1.803 4.731 . 0 0 "[ . 1 . 2]" 1
154 1 50 GLN HB2 1 50 GLN HE21 1.800 . 5.500 3.260 1.833 4.707 . 0 0 "[ . 1 . 2]" 1
155 1 50 GLN HB3 1 50 GLN HE22 1.800 . 5.500 4.490 3.163 5.325 . 0 0 "[ . 1 . 2]" 1
156 1 50 GLN HB2 1 50 GLN HE22 1.800 . 5.500 4.176 3.216 5.389 . 0 0 "[ . 1 . 2]" 1
157 1 51 VAL MG1 1 51 VAL MG2 1.800 . 4.700 2.018 1.879 2.080 . 0 0 "[ . 1 . 2]" 1
158 1 51 VAL HA 1 51 VAL MG1 1.800 . 3.700 2.387 2.223 2.575 . 0 0 "[ . 1 . 2]" 1
159 1 51 VAL H 1 51 VAL MG1 1.800 . 5.000 3.750 3.665 3.830 . 0 0 "[ . 1 . 2]" 1
160 1 51 VAL H 1 51 VAL MG2 1.800 . 3.700 2.601 1.978 2.838 . 0 0 "[ . 1 . 2]" 1
161 1 52 GLN HA 1 52 GLN HB2 1.800 . 2.700 2.863 2.806 2.931 0.231 13 0 "[ . 1 . 2]" 1
162 1 52 GLN HA 1 52 GLN HB3 1.800 . 2.700 2.778 2.675 2.841 0.141 5 0 "[ . 1 . 2]" 1
163 1 52 GLN HA 1 52 GLN QG 1.800 . 4.500 2.002 1.915 2.144 . 0 0 "[ . 1 . 2]" 1
164 1 52 GLN HA 1 52 GLN HE21 1.800 . 5.500 3.996 2.627 4.552 . 0 0 "[ . 1 . 2]" 1
165 1 52 GLN HB2 1 52 GLN HE21 1.800 . 4.000 2.232 1.861 3.358 . 0 0 "[ . 1 . 2]" 1
166 1 52 GLN H 1 52 GLN HB2 1.800 . 2.700 2.052 2.011 2.136 . 0 0 "[ . 1 . 2]" 1
167 1 52 GLN H 1 52 GLN HB3 1.800 . 4.000 3.296 3.047 3.464 . 0 0 "[ . 1 . 2]" 1
168 1 53 HIS HA 1 53 HIS QB 1.800 . 2.700 2.162 2.107 2.208 . 0 0 "[ . 1 . 2]" 1
169 1 53 HIS H 1 53 HIS HD2 1.800 . 4.000 2.100 1.860 2.549 . 0 0 "[ . 1 . 2]" 1
170 1 54 GLY H 1 54 GLY HA2 1.800 . 2.700 2.354 2.343 2.366 . 0 0 "[ . 1 . 2]" 1
171 1 55 LYS HA 1 55 LYS QB 1.800 . 2.700 2.532 2.525 2.539 . 0 0 "[ . 1 . 2]" 1
172 1 55 LYS HA 1 55 LYS QD 1.800 . 4.500 2.231 1.726 3.913 0.074 10 0 "[ . 1 . 2]" 1
173 1 55 LYS HA 1 55 LYS QG 1.800 . 4.000 2.560 1.964 2.865 . 0 0 "[ . 1 . 2]" 1
174 1 55 LYS QB 1 55 LYS QG 1.800 . 4.000 1.993 1.945 2.108 . 0 0 "[ . 1 . 2]" 1
175 1 55 LYS QD 1 55 LYS QG 1.800 . 3.200 2.054 2.046 2.099 . 0 0 "[ . 1 . 2]" 1
176 1 55 LYS H 1 55 LYS QD 1.800 . 6.000 3.628 3.187 5.063 . 0 0 "[ . 1 . 2]" 1
177 1 55 LYS H 1 55 LYS QG 1.800 . 5.500 4.400 3.872 4.542 . 0 0 "[ . 1 . 2]" 1
178 1 56 ASN HA 1 56 ASN HB3 1.800 . 2.700 2.518 2.398 2.577 . 0 0 "[ . 1 . 2]" 1
179 1 56 ASN H 1 56 ASN HD21 1.800 . 5.500 2.988 2.156 4.110 . 0 0 "[ . 1 . 2]" 1
180 1 56 ASN H 1 56 ASN HA 1.800 . 2.700 2.348 2.325 2.582 . 0 0 "[ . 1 . 2]" 1
181 1 56 ASN H 1 56 ASN HB2 1.800 . 4.000 3.481 2.863 3.744 . 0 0 "[ . 1 . 2]" 1
182 1 57 ALA H 1 57 ALA MB 1.800 . 3.200 2.481 2.378 2.614 . 0 0 "[ . 1 . 2]" 1
183 1 58 MET HA 1 58 MET ME 1.800 . 6.000 4.588 4.247 4.788 . 0 0 "[ . 1 . 2]" 1
184 1 58 MET HA 1 58 MET HG3 1.800 . 4.000 2.595 2.388 2.908 . 0 0 "[ . 1 . 2]" 1
185 1 58 MET HA 1 58 MET HG2 1.800 . 4.000 3.115 2.989 3.829 . 0 0 "[ . 1 . 2]" 1
186 1 58 MET HB3 1 58 MET ME 1.800 . 6.000 3.874 3.604 4.202 . 0 0 "[ . 1 . 2]" 1
187 1 58 MET ME 1 58 MET HG3 1.800 . 3.200 2.492 2.266 2.754 . 0 0 "[ . 1 . 2]" 1
188 1 58 MET ME 1 58 MET HG2 1.800 . 4.500 2.349 2.082 2.579 . 0 0 "[ . 1 . 2]" 1
189 1 58 MET H 1 58 MET HB3 1.800 . 4.000 2.574 2.344 2.741 . 0 0 "[ . 1 . 2]" 1
190 1 58 MET H 1 58 MET HB2 1.800 . 4.000 3.074 2.720 3.508 . 0 0 "[ . 1 . 2]" 1
191 1 58 MET H 1 58 MET ME 1.800 . 6.000 5.819 5.759 5.919 . 0 0 "[ . 1 . 2]" 1
192 1 58 MET H 1 58 MET HG3 1.800 . 5.500 4.667 4.290 4.849 . 0 0 "[ . 1 . 2]" 1
193 1 58 MET H 1 58 MET HG2 1.800 . 5.500 4.365 4.140 4.531 . 0 0 "[ . 1 . 2]" 1
194 1 59 PRO HA 1 59 PRO HB2 1.800 . 2.700 2.751 2.739 2.763 0.063 12 0 "[ . 1 . 2]" 1
195 1 59 PRO HA 1 59 PRO HG2 1.800 . 4.000 3.994 3.962 4.017 0.017 3 0 "[ . 1 . 2]" 1
196 1 59 PRO HB2 1 59 PRO HD2 1.800 . 4.000 3.886 3.831 3.958 . 0 0 "[ . 1 . 2]" 1
197 1 59 PRO HB2 1 59 PRO HG3 1.800 . 2.700 2.754 2.735 2.773 0.073 8 0 "[ . 1 . 2]" 1
198 1 60 ALA H 1 60 ALA MB 1.800 . 3.200 2.196 2.069 2.240 . 0 0 "[ . 1 . 2]" 1
199 1 61 PHE H 1 61 PHE HA 1.800 . 2.700 2.912 2.886 2.937 0.237 9 0 "[ . 1 . 2]" 1
200 1 61 PHE HA 1 61 PHE QD 1.800 . 4.500 2.373 1.699 3.105 0.101 4 0 "[ . 1 . 2]" 1
201 1 61 PHE HB3 1 61 PHE QD 1.800 . 3.200 2.564 2.318 2.784 . 0 0 "[ . 1 . 2]" 1
202 1 61 PHE HB2 1 61 PHE QD 1.800 . 3.200 2.378 2.309 2.594 . 0 0 "[ . 1 . 2]" 1
203 1 61 PHE HA 1 61 PHE QE 1.800 . 6.000 4.291 4.068 4.607 . 0 0 "[ . 1 . 2]" 1
204 1 61 PHE H 1 61 PHE QE 1.800 . 6.000 5.117 4.112 5.674 . 0 0 "[ . 1 . 2]" 1
205 1 61 PHE H 1 61 PHE HB3 1.800 . 4.000 3.718 3.583 3.825 . 0 0 "[ . 1 . 2]" 1
206 1 61 PHE H 1 61 PHE QD 1.800 . 4.500 3.278 1.816 3.962 . 0 0 "[ . 1 . 2]" 1
207 1 62 ALA H 1 62 ALA HA 1.800 . 2.700 2.648 2.347 2.853 0.153 4 0 "[ . 1 . 2]" 1
208 1 62 ALA H 1 62 ALA MB 1.800 . 3.200 2.357 2.040 2.822 . 0 0 "[ . 1 . 2]" 1
209 1 64 ARG HA 1 64 ARG QB 1.800 . 2.700 2.461 2.301 2.531 . 0 0 "[ . 1 . 2]" 1
210 1 64 ARG HA 1 64 ARG QD 1.800 . 5.500 3.103 1.777 4.158 0.023 7 0 "[ . 1 . 2]" 1
211 1 64 ARG HA 1 64 ARG QG 1.800 . 4.500 2.398 2.078 2.573 . 0 0 "[ . 1 . 2]" 1
212 1 64 ARG QB 1 64 ARG QG 1.800 . 4.500 2.064 2.001 2.105 . 0 0 "[ . 1 . 2]" 1
213 1 64 ARG QB 1 64 ARG QD 1.800 . 5.500 2.147 1.904 2.462 . 0 0 "[ . 1 . 2]" 1
214 1 64 ARG QD 1 64 ARG QG 1.800 . 3.200 2.080 2.047 2.099 . 0 0 "[ . 1 . 2]" 1
215 1 64 ARG QD 1 64 ARG HE 1.800 . 2.700 2.341 2.233 2.475 . 0 0 "[ . 1 . 2]" 1
216 1 65 LEU HA 1 65 LEU MD1 1.800 . 3.700 3.233 1.810 3.895 0.195 7 0 "[ . 1 . 2]" 1
217 1 65 LEU HA 1 65 LEU MD2 1.800 . 5.000 2.452 1.828 3.761 . 0 0 "[ . 1 . 2]" 1
218 1 65 LEU QB 1 65 LEU MD1 1.800 . 4.200 2.154 2.018 2.596 . 0 0 "[ . 1 . 2]" 1
219 1 65 LEU MD1 1 65 LEU MD2 1.800 . 4.700 1.995 1.901 2.080 . 0 0 "[ . 1 . 2]" 1
220 1 65 LEU H 1 65 LEU MD1 1.800 . 5.000 3.339 1.859 4.242 . 0 0 "[ . 1 . 2]" 1
221 1 65 LEU H 1 65 LEU MD2 1.800 . 5.000 2.787 1.786 4.186 0.014 6 0 "[ . 1 . 2]" 1
222 1 65 LEU H 1 65 LEU HG 1.800 . 4.000 2.714 1.872 4.055 0.055 2 0 "[ . 1 . 2]" 1
223 1 66 THR HA 1 66 THR MG 1.800 . 3.700 2.334 1.885 2.575 . 0 0 "[ . 1 . 2]" 1
224 1 66 THR H 1 66 THR MG 1.800 . 3.700 3.739 3.667 3.829 0.129 9 0 "[ . 1 . 2]" 1
225 1 67 ASP H 1 67 ASP HA 1.800 . 2.700 2.804 2.695 2.936 0.236 8 0 "[ . 1 . 2]" 1
226 1 67 ASP H 1 67 ASP HB3 1.800 . 4.000 3.504 2.896 4.036 0.036 5 0 "[ . 1 . 2]" 1
227 1 67 ASP H 1 67 ASP HB2 1.800 . 4.000 2.917 2.108 3.810 . 0 0 "[ . 1 . 2]" 1
228 1 68 GLU H 1 68 GLU QG 1.800 . 4.500 2.986 1.942 3.968 . 0 0 "[ . 1 . 2]" 1
229 1 69 GLN HA 1 69 GLN HB3 1.800 . 2.700 2.499 2.223 2.793 0.093 17 0 "[ . 1 . 2]" 1
230 1 69 GLN HA 1 69 GLN QG 1.800 . 6.000 2.693 1.888 3.382 . 0 0 "[ . 1 . 2]" 1
231 1 69 GLN HA 1 69 GLN QE 1.800 . 4.000 2.003 1.795 2.710 0.005 11 0 "[ . 1 . 2]" 1
232 1 69 GLN HB3 1 69 GLN QE 1.800 . 4.000 3.111 1.988 4.188 0.188 10 0 "[ . 1 . 2]" 1
233 1 69 GLN H 1 69 GLN HB2 1.800 . 4.000 2.619 2.168 3.186 . 0 0 "[ . 1 . 2]" 1
234 1 69 GLN HA 1 69 GLN HB2 1.800 . 2.700 2.918 2.860 2.989 0.289 16 0 "[ . 1 . 2]" 1
235 1 69 GLN H 1 69 GLN HB3 1.800 . 4.000 3.572 3.289 3.718 . 0 0 "[ . 1 . 2]" 1
236 1 7 ALA H 1 7 ALA MB 1.800 . 3.200 2.078 2.041 2.201 . 0 0 "[ . 1 . 2]" 1
237 1 70 ILE H 1 70 ILE HB 1.800 . 2.700 2.551 2.259 2.834 0.134 8 0 "[ . 1 . 2]" 1
238 1 70 ILE MD 1 70 ILE QG 1.800 . 4.200 1.903 1.873 1.918 . 0 0 "[ . 1 . 2]" 1
239 1 70 ILE H 1 70 ILE MD 1.800 . 4.500 3.024 2.245 3.721 . 0 0 "[ . 1 . 2]" 1
240 1 70 ILE H 1 70 ILE QG 1.800 . 3.700 2.234 1.827 2.642 . 0 0 "[ . 1 . 2]" 1
241 1 71 GLN HA 1 71 GLN QG 1.800 . 4.000 2.310 2.052 2.475 . 0 0 "[ . 1 . 2]" 1
242 1 71 GLN HB3 1 71 GLN QE 1.800 . 5.500 3.065 1.822 4.074 . 0 0 "[ . 1 . 2]" 1
243 1 71 GLN H 1 71 GLN HA 1.800 . 2.700 2.912 2.884 2.923 0.223 16 0 "[ . 1 . 2]" 1
244 1 71 GLN H 1 71 GLN HB3 1.800 . 4.000 3.417 3.343 3.502 . 0 0 "[ . 1 . 2]" 1
245 1 71 GLN H 1 71 GLN HB2 1.800 . 4.000 2.113 2.018 2.241 . 0 0 "[ . 1 . 2]" 1
246 1 71 GLN H 1 71 GLN QG 1.800 . 4.000 3.261 2.627 3.699 . 0 0 "[ . 1 . 2]" 1
247 1 72 ASP H 1 72 ASP HA 1.800 . 2.700 2.758 2.724 2.788 0.088 8 0 "[ . 1 . 2]" 1
248 1 73 VAL HA 1 73 VAL QG 1.800 . 3.700 2.129 1.926 2.288 . 0 0 "[ . 1 . 2]" 1
249 1 73 VAL HB 1 73 VAL QG 1.800 . 5.000 1.897 1.873 1.911 . 0 0 "[ . 1 . 2]" 1
250 1 73 VAL MG1 1 73 VAL MG2 1.800 . 4.700 2.016 1.890 2.073 . 0 0 "[ . 1 . 2]" 1
251 1 73 VAL H 1 73 VAL HA 1.800 . 2.700 2.827 2.739 2.878 0.178 8 0 "[ . 1 . 2]" 1
252 1 73 VAL H 1 73 VAL HB 1.800 . 2.700 2.397 2.174 2.763 0.063 5 0 "[ . 1 . 2]" 1
253 1 73 VAL H 1 73 VAL QG 1.800 . 3.700 2.369 1.674 2.731 0.126 4 0 "[ . 1 . 2]" 1
254 1 74 ALA H 1 74 ALA MB 1.800 . 3.200 2.176 2.082 2.311 . 0 0 "[ . 1 . 2]" 1
255 1 75 ALA H 1 75 ALA MB 1.800 . 3.200 2.107 2.038 2.180 . 0 0 "[ . 1 . 2]" 1
256 1 76 TYR HA 1 76 TYR QD 1.800 . 5.500 2.783 2.646 2.892 . 0 0 "[ . 1 . 2]" 1
257 1 76 TYR H 1 76 TYR HB3 1.800 . 2.700 2.397 2.196 2.540 . 0 0 "[ . 1 . 2]" 1
258 1 76 TYR H 1 76 TYR HB2 1.800 . 2.700 2.654 2.498 2.733 0.033 10 0 "[ . 1 . 2]" 1
259 1 76 TYR H 1 76 TYR QD 1.800 . 5.500 4.109 3.993 4.182 . 0 0 "[ . 1 . 2]" 1
260 1 77 VAL HA 1 77 VAL QG 1.800 . 3.700 2.182 1.988 2.430 . 0 0 "[ . 1 . 2]" 1
261 1 77 VAL HB 1 77 VAL QG 1.800 . 3.700 1.891 1.877 1.911 . 0 0 "[ . 1 . 2]" 1
262 1 77 VAL MG1 1 77 VAL MG2 1.800 . 4.700 1.978 1.867 2.061 . 0 0 "[ . 1 . 2]" 1
263 1 77 VAL H 1 77 VAL HB 1.800 . 2.700 2.541 2.333 2.839 0.139 19 0 "[ . 1 . 2]" 1
264 1 77 VAL H 1 77 VAL QG 1.800 . 3.700 2.179 1.722 2.554 0.078 19 0 "[ . 1 . 2]" 1
265 1 78 LEU HA 1 78 LEU MD1 1.800 . 6.500 3.755 3.586 3.866 . 0 0 "[ . 1 . 2]" 1
266 1 78 LEU HA 1 78 LEU MD2 1.800 . 3.700 2.029 1.917 2.218 . 0 0 "[ . 1 . 2]" 1
267 1 78 LEU QB 1 78 LEU MD2 1.800 . 5.500 2.428 2.347 2.499 . 0 0 "[ . 1 . 2]" 1
268 1 78 LEU H 1 78 LEU QB 1.800 . 3.200 2.737 2.638 2.848 . 0 0 "[ . 1 . 2]" 1
269 1 78 LEU H 1 78 LEU MD2 1.800 . 5.000 2.352 2.203 2.519 . 0 0 "[ . 1 . 2]" 1
270 1 78 LEU H 1 78 LEU HG 1.800 . 2.700 2.011 1.856 2.253 . 0 0 "[ . 1 . 2]" 1
271 1 79 ASP H 1 79 ASP HA 1.800 . 2.700 2.931 2.922 2.936 0.236 16 0 "[ . 1 . 2]" 1
272 1 79 ASP H 1 79 ASP HB2 1.800 . 4.000 2.363 2.280 2.474 . 0 0 "[ . 1 . 2]" 1
273 1 79 ASP H 1 79 ASP HB3 1.800 . 2.700 2.823 2.763 2.867 0.167 1 0 "[ . 1 . 2]" 1
274 1 8 LYS HA 1 8 LYS QD 1.800 . 4.500 3.991 3.733 4.571 0.071 17 0 "[ . 1 . 2]" 1
275 1 8 LYS HA 1 8 LYS QG 1.800 . 6.000 2.738 2.449 3.233 . 0 0 "[ . 1 . 2]" 1
276 1 8 LYS QB 1 8 LYS QD 1.800 . 5.000 2.567 2.230 2.698 . 0 0 "[ . 1 . 2]" 1
277 1 8 LYS QB 1 8 LYS QG 1.800 . 3.700 2.057 2.049 2.092 . 0 0 "[ . 1 . 2]" 1
278 1 8 LYS QD 1 8 LYS QG 1.800 . 3.700 2.016 1.996 2.059 . 0 0 "[ . 1 . 2]" 1
279 1 8 LYS QB 1 8 LYS QE 1.800 . 6.500 1.820 1.738 2.384 0.062 7 0 "[ . 1 . 2]" 1
280 1 8 LYS QD 1 8 LYS QE 1.800 . 3.700 2.042 1.977 2.060 . 0 0 "[ . 1 . 2]" 1
281 1 8 LYS QE 1 8 LYS QG 1.800 . 3.700 2.444 2.138 2.949 . 0 0 "[ . 1 . 2]" 1
282 1 8 LYS H 1 8 LYS HA 1.800 . 2.700 2.859 2.792 2.930 0.230 19 0 "[ . 1 . 2]" 1
283 1 8 LYS H 1 8 LYS QB 1.800 . 3.200 2.248 2.112 2.888 . 0 0 "[ . 1 . 2]" 1
284 1 8 LYS H 1 8 LYS QD 1.800 . 6.000 4.081 3.753 4.412 . 0 0 "[ . 1 . 2]" 1
285 1 8 LYS H 1 8 LYS QG 1.800 . 6.000 3.752 1.780 4.057 0.020 18 0 "[ . 1 . 2]" 1
286 1 80 GLN HB3 1 80 GLN HE21 1.800 . 5.500 4.077 2.616 4.626 . 0 0 "[ . 1 . 2]" 1
287 1 80 GLN HB2 1 80 GLN HE21 1.800 . 5.500 4.516 3.735 4.723 . 0 0 "[ . 1 . 2]" 1
288 1 80 GLN HA 1 80 GLN HE22 1.800 . 5.500 4.145 2.845 4.684 . 0 0 "[ . 1 . 2]" 1
289 1 80 GLN HB3 1 80 GLN HE22 1.800 . 5.500 4.343 4.027 5.236 . 0 0 "[ . 1 . 2]" 1
290 1 80 GLN HB2 1 80 GLN HE22 1.800 . 5.500 5.186 4.240 5.359 . 0 0 "[ . 1 . 2]" 1
291 1 80 GLN HE22 1 80 GLN HG3 1.800 . 4.000 3.902 3.516 4.094 0.094 7 0 "[ . 1 . 2]" 1
292 1 80 GLN H 1 80 GLN HB3 1.800 . 4.000 3.562 3.526 3.586 . 0 0 "[ . 1 . 2]" 1
293 1 80 GLN H 1 80 GLN HB2 1.800 . 4.000 2.577 2.285 2.729 . 0 0 "[ . 1 . 2]" 1
294 1 80 GLN H 1 80 GLN HE21 1.800 . 5.500 3.806 2.793 4.224 . 0 0 "[ . 1 . 2]" 1
295 1 80 GLN H 1 80 GLN HE22 1.800 . 5.500 4.962 3.210 5.512 0.012 8 0 "[ . 1 . 2]" 1
296 1 80 GLN H 1 80 GLN HG3 1.800 . 4.000 3.088 2.717 3.585 . 0 0 "[ . 1 . 2]" 1
297 1 80 GLN H 1 80 GLN HG2 1.800 . 4.000 2.065 1.810 3.966 . 0 0 "[ . 1 . 2]" 1
298 1 81 ALA H 1 81 ALA MB 1.800 . 3.200 2.182 2.052 2.264 . 0 0 "[ . 1 . 2]" 1
299 1 82 ALA H 1 82 ALA HA 1.800 . 2.700 2.903 2.841 2.917 0.217 6 0 "[ . 1 . 2]" 1
300 1 82 ALA H 1 82 ALA MB 1.800 . 3.200 2.155 2.038 2.288 . 0 0 "[ . 1 . 2]" 1
301 1 83 LYS HA 1 83 LYS QE 1.800 . 6.000 4.460 2.797 5.422 . 0 0 "[ . 1 . 2]" 1
302 1 83 LYS H 1 83 LYS QD 1.800 . 6.000 3.937 2.173 5.078 . 0 0 "[ . 1 . 2]" 1
303 1 83 LYS H 1 83 LYS QG 1.800 . 4.500 3.057 2.348 4.052 . 0 0 "[ . 1 . 2]" 1
304 1 85 TRP HA 1 85 TRP HE1 1.800 . 5.500 5.127 4.875 5.506 0.006 12 0 "[ . 1 . 2]" 1
305 1 85 TRP H 1 85 TRP HA 1.800 . 2.700 2.747 2.732 2.828 0.128 12 0 "[ . 1 . 2]" 1
306 1 85 TRP H 1 85 TRP HD1 1.800 . 5.500 3.585 3.241 3.856 . 0 0 "[ . 1 . 2]" 1
307 1 85 TRP HA 1 85 TRP HZ3 1.800 . 5.500 4.668 3.933 5.263 . 0 0 "[ . 1 . 2]" 1
308 1 85 TRP QB 1 85 TRP HZ3 1.800 . 5.500 5.051 4.912 5.236 . 0 0 "[ . 1 . 2]" 1
309 1 86 ALA H 1 86 ALA HA 1.800 . 2.700 2.537 2.344 2.877 0.177 20 0 "[ . 1 . 2]" 1
310 1 86 ALA H 1 86 ALA MB 1.800 . 3.200 2.548 2.040 2.897 . 0 0 "[ . 1 . 2]" 1
311 1 87 GLY H 1 87 GLY HA2 1.800 . 2.700 2.547 2.351 2.826 0.126 9 0 "[ . 1 . 2]" 1
312 1 87 GLY H 1 87 GLY HA3 1.800 . 2.700 2.599 2.340 2.811 0.111 9 0 "[ . 1 . 2]" 1
313 1 9 VAL HA 1 9 VAL QG 1.800 . 3.700 2.022 1.957 2.127 . 0 0 "[ . 1 . 2]" 1
314 1 9 VAL HB 1 9 VAL QG 1.800 . 3.700 1.905 1.887 1.921 . 0 0 "[ . 1 . 2]" 1
315 1 9 VAL MG1 1 9 VAL MG2 1.800 . 4.700 2.038 1.895 2.080 . 0 0 "[ . 1 . 2]" 1
316 1 9 VAL H 1 9 VAL HB 1.800 . 2.700 2.417 2.208 2.706 0.006 2 0 "[ . 1 . 2]" 1
317 1 9 VAL H 1 9 VAL QG 1.800 . 3.700 2.364 1.791 2.772 0.009 2 0 "[ . 1 . 2]" 1
318 2 1 HEC HAD1 2 1 HEC HAD2 1.800 . 5.500 1.805 1.800 1.815 . 0 0 "[ . 1 . 2]" 1
319 2 1 HEC HAD1 2 1 HEC HBD1 1.800 . 4.000 2.315 2.284 2.407 . 0 0 "[ . 1 . 2]" 1
320 2 1 HEC HAD1 2 1 HEC HBD2 1.800 . 4.000 2.900 2.633 3.041 . 0 0 "[ . 1 . 2]" 1
321 2 1 HEC HAD2 2 1 HEC HBA1 1.800 . 4.500 4.422 3.644 4.806 0.306 8 0 "[ . 1 . 2]" 1
322 2 1 HEC HAD2 2 1 HEC HBD1 1.800 . 5.500 2.896 2.619 3.037 . 0 0 "[ . 1 . 2]" 1
323 1 1 ALA HA 1 2 ASP H 1.800 . 4.000 2.823 2.190 3.591 . 0 0 "[ . 1 . 2]" 1
324 1 1 ALA MB 1 2 ASP H 1.800 . 4.500 2.856 2.073 3.724 . 0 0 "[ . 1 . 2]" 1
325 1 10 PHE QD 1 11 SER QB 1.800 . 6.500 3.642 3.240 4.235 . 0 0 "[ . 1 . 2]" 1
326 1 9 VAL HB 1 10 PHE QD 1.800 . 6.000 5.823 5.284 6.124 0.124 12 0 "[ . 1 . 2]" 1
327 1 10 PHE H 1 11 SER H 1.800 . 4.000 2.632 2.139 2.952 . 0 0 "[ . 1 . 2]" 1
328 1 9 VAL HA 1 10 PHE H 1.800 . 5.500 3.562 3.470 3.623 . 0 0 "[ . 1 . 2]" 1
329 1 9 VAL HB 1 10 PHE H 1.800 . 4.000 2.467 1.814 3.239 . 0 0 "[ . 1 . 2]" 1
330 1 9 VAL QG 1 10 PHE H 1.800 . 4.500 2.925 2.446 3.560 . 0 0 "[ . 1 . 2]" 1
331 1 9 VAL H 1 10 PHE H 1.800 . 4.000 2.681 2.209 3.053 . 0 0 "[ . 1 . 2]" 1
332 1 10 PHE HA 1 11 SER H 1.800 . 4.000 3.465 3.398 3.563 . 0 0 "[ . 1 . 2]" 1
333 1 10 PHE HB3 1 11 SER H 1.800 . 4.000 2.900 2.482 3.054 . 0 0 "[ . 1 . 2]" 1
334 1 10 PHE HB2 1 11 SER H 1.800 . 4.000 4.066 3.815 4.166 0.166 14 0 "[ . 1 . 2]" 1
335 1 10 PHE QD 1 11 SER H 1.800 . 4.500 3.328 3.243 3.445 . 0 0 "[ . 1 . 2]" 1
336 1 10 PHE QE 1 11 SER H 1.800 . 5.500 5.511 5.406 5.641 0.141 8 0 "[ . 1 . 2]" 1
337 1 11 SER H 1 12 GLY H 1.800 . 2.700 2.749 2.420 2.938 0.238 11 0 "[ . 1 . 2]" 1
338 1 11 SER QB 1 12 GLY H 1.800 . 4.500 3.703 2.472 4.011 . 0 0 "[ . 1 . 2]" 1
339 1 12 GLY H 1 13 ASN HB2 1.800 . 5.500 4.490 3.964 5.075 . 0 0 "[ . 1 . 2]" 1
340 1 12 GLY HA3 1 13 ASN HA 1.800 . 5.500 4.651 4.505 4.734 . 0 0 "[ . 1 . 2]" 1
341 1 12 GLY HA2 1 13 ASN HA 1.800 . 5.500 4.477 4.402 4.563 . 0 0 "[ . 1 . 2]" 1
342 1 12 GLY HA3 1 13 ASN HD21 1.800 . 5.500 3.925 2.867 4.698 . 0 0 "[ . 1 . 2]" 1
343 1 12 GLY HA2 1 13 ASN HD21 1.800 . 5.500 5.033 3.924 5.554 0.054 8 0 "[ . 1 . 2]" 1
344 1 12 GLY H 1 13 ASN HD21 1.800 . 5.500 3.461 2.354 4.186 . 0 0 "[ . 1 . 2]" 1
345 1 12 GLY HA3 1 13 ASN HD22 1.800 . 5.500 3.595 2.882 4.108 . 0 0 "[ . 1 . 2]" 1
346 1 12 GLY HA2 1 13 ASN HD22 1.800 . 5.500 5.042 4.390 5.359 . 0 0 "[ . 1 . 2]" 1
347 1 12 GLY HA3 1 13 ASN H 1.800 . 5.500 3.315 2.972 3.536 . 0 0 "[ . 1 . 2]" 1
348 1 12 GLY HA2 1 13 ASN H 1.800 . 5.500 3.306 2.991 3.536 . 0 0 "[ . 1 . 2]" 1
349 1 12 GLY H 1 13 ASN H 1.800 . 4.000 1.853 1.757 2.892 0.043 2 0 "[ . 1 . 2]" 1
350 1 13 ASN H 1 14 CYS HB3 1.800 . 5.500 5.521 5.325 5.597 0.097 11 0 "[ . 1 . 2]" 1
351 1 13 ASN HB2 1 14 CYS HA 1.800 . 5.500 4.143 3.972 4.503 . 0 0 "[ . 1 . 2]" 1
352 1 14 CYS HA 1 15 ALA HA 1.800 . 5.500 4.931 4.847 5.079 . 0 0 "[ . 1 . 2]" 1
353 1 13 ASN HA 1 14 CYS H 1.800 . 5.500 3.538 3.311 3.576 . 0 0 "[ . 1 . 2]" 1
354 1 13 ASN HB2 1 14 CYS H 1.800 . 5.500 2.543 2.023 3.655 . 0 0 "[ . 1 . 2]" 1
355 1 13 ASN HD22 1 14 CYS H 1.800 . 5.500 4.859 4.422 5.515 0.015 7 0 "[ . 1 . 2]" 1
356 1 13 ASN H 1 14 CYS H 1.800 . 2.700 2.052 1.782 2.340 0.018 20 0 "[ . 1 . 2]" 1
357 1 14 CYS H 1 15 ALA H 1.800 . 2.700 2.354 1.831 2.650 . 0 0 "[ . 1 . 2]" 1
358 1 14 CYS HA 1 15 ALA H 1.800 . 5.500 3.488 3.380 3.552 . 0 0 "[ . 1 . 2]" 1
359 1 14 CYS HB3 1 15 ALA H 1.800 . 5.500 4.076 3.909 4.252 . 0 0 "[ . 1 . 2]" 1
360 1 14 CYS HB2 1 15 ALA H 1.800 . 4.000 2.871 2.531 3.274 . 0 0 "[ . 1 . 2]" 1
361 1 15 ALA HA 1 16 ALA H 1.800 . 5.500 3.551 3.517 3.582 . 0 0 "[ . 1 . 2]" 1
362 1 15 ALA H 1 16 ALA H 1.800 . 4.000 2.868 2.704 3.219 . 0 0 "[ . 1 . 2]" 1
363 1 16 ALA H 1 17 CYS H 1.800 . 4.000 2.816 2.667 2.978 . 0 0 "[ . 1 . 2]" 1
364 1 17 CYS HB3 1 18 HIS QB 1.800 . 5.500 4.949 4.353 5.188 . 0 0 "[ . 1 . 2]" 1
365 1 16 ALA HA 1 17 CYS H 1.800 . 5.500 3.540 3.409 3.599 . 0 0 "[ . 1 . 2]" 1
366 1 17 CYS H 1 18 HIS HA 1.800 . 5.500 4.933 4.661 5.144 . 0 0 "[ . 1 . 2]" 1
367 1 17 CYS H 1 18 HIS QB 1.800 . 5.500 3.866 3.575 3.997 . 0 0 "[ . 1 . 2]" 1
368 1 17 CYS H 1 18 HIS HD2 1.800 . 5.500 3.499 3.098 4.103 . 0 0 "[ . 1 . 2]" 1
369 1 17 CYS HA 1 18 HIS H 1.800 . 5.500 3.057 2.937 3.204 . 0 0 "[ . 1 . 2]" 1
370 1 17 CYS HB3 1 18 HIS H 1.800 . 5.500 4.320 4.010 4.477 . 0 0 "[ . 1 . 2]" 1
371 1 17 CYS HB2 1 18 HIS H 1.800 . 5.500 3.946 3.682 4.281 . 0 0 "[ . 1 . 2]" 1
372 1 17 CYS H 1 18 HIS H 1.800 . 2.700 2.456 2.062 2.756 0.056 7 0 "[ . 1 . 2]" 1
373 1 18 HIS HA 1 19 MET H 1.800 . 4.000 3.461 2.869 3.564 . 0 0 "[ . 1 . 2]" 1
374 1 18 HIS QB 1 19 MET H 1.800 . 5.500 2.333 1.892 3.826 . 0 0 "[ . 1 . 2]" 1
375 1 18 HIS HD2 1 19 MET H 1.800 . 5.500 4.797 4.465 5.596 0.096 14 0 "[ . 1 . 2]" 1
376 1 18 HIS H 1 19 MET H 1.800 . 4.000 2.435 1.879 2.770 . 0 0 "[ . 1 . 2]" 1
377 1 19 MET HB3 1 20 GLY HA3 1.800 . 5.500 4.927 3.980 5.807 0.307 8 0 "[ . 1 . 2]" 1
378 1 19 MET QG 1 20 GLY HA3 1.800 . 5.500 4.737 4.369 5.198 . 0 0 "[ . 1 . 2]" 1
379 1 19 MET HB3 1 20 GLY HA2 1.800 . 5.500 5.750 4.884 6.433 0.933 3 9 "[**+ * * 1 * .* -*]" 1
380 1 19 MET HB2 1 20 GLY H 1.800 . 5.500 4.201 2.954 4.658 . 0 0 "[ . 1 . 2]" 1
381 1 19 MET QG 1 20 GLY H 1.800 . 5.500 3.819 2.717 4.516 . 0 0 "[ . 1 . 2]" 1
382 1 19 MET H 1 20 GLY H 1.800 . 5.500 3.979 3.697 4.695 . 0 0 "[ . 1 . 2]" 1
383 1 20 GLY H 1 21 GLY H 1.800 . 5.500 2.815 2.218 3.225 . 0 0 "[ . 1 . 2]" 1
384 1 20 GLY HA2 1 21 GLY H 1.800 . 5.500 2.719 2.571 2.932 . 0 0 "[ . 1 . 2]" 1
385 1 21 GLY H 1 22 GLY HA2 1.800 . 5.500 5.599 5.490 5.774 0.274 2 0 "[ . 1 . 2]" 1
386 1 21 GLY H 1 22 GLY H 1.800 . 4.000 3.186 2.889 3.544 . 0 0 "[ . 1 . 2]" 1
387 1 22 GLY HA2 1 23 ASN HB2 1.800 . 5.500 4.475 4.276 5.870 0.370 12 0 "[ . 1 . 2]" 1
388 1 21 GLY HA3 1 22 GLY H 1.800 . 5.500 3.573 3.535 3.604 . 0 0 "[ . 1 . 2]" 1
389 1 21 GLY HA2 1 22 GLY H 1.800 . 5.500 2.590 2.361 2.900 . 0 0 "[ . 1 . 2]" 1
390 1 23 ASN HA 1 24 VAL QG 1.800 . 5.000 3.282 2.915 4.298 . 0 0 "[ . 1 . 2]" 1
391 1 22 GLY HA3 1 23 ASN H 1.800 . 4.000 3.487 3.276 3.588 . 0 0 "[ . 1 . 2]" 1
392 1 22 GLY HA2 1 23 ASN H 1.800 . 4.000 2.301 2.188 2.512 . 0 0 "[ . 1 . 2]" 1
393 1 22 GLY H 1 23 ASN H 1.800 . 5.500 3.652 3.118 4.208 . 0 0 "[ . 1 . 2]" 1
394 1 23 ASN H 1 24 VAL QG 1.800 . 6.000 4.845 4.350 5.644 . 0 0 "[ . 1 . 2]" 1
395 1 23 ASN H 1 24 VAL H 1.800 . 5.500 4.686 4.619 4.714 . 0 0 "[ . 1 . 2]" 1
396 1 24 VAL HA 1 25 VAL QG 1.800 . 6.000 4.484 4.239 4.914 . 0 0 "[ . 1 . 2]" 1
397 1 24 VAL HB 1 25 VAL QG 1.800 . 6.000 4.064 3.041 4.860 . 0 0 "[ . 1 . 2]" 1
398 1 23 ASN HA 1 24 VAL H 1.800 . 2.700 2.377 2.218 2.656 . 0 0 "[ . 1 . 2]" 1
399 1 23 ASN HB2 1 24 VAL H 1.800 . 5.500 4.093 2.454 4.384 . 0 0 "[ . 1 . 2]" 1
400 1 23 ASN HB3 1 24 VAL H 1.800 . 5.500 3.342 2.562 3.743 . 0 0 "[ . 1 . 2]" 1
401 1 24 VAL H 1 25 VAL HB 1.800 . 5.500 4.416 3.721 5.240 . 0 0 "[ . 1 . 2]" 1
402 1 24 VAL H 1 25 VAL QG 1.800 . 6.000 3.359 2.922 3.806 . 0 0 "[ . 1 . 2]" 1
403 1 24 VAL HB 1 25 VAL H 1.800 . 5.500 3.888 2.292 4.489 . 0 0 "[ . 1 . 2]" 1
404 1 24 VAL QG 1 25 VAL H 1.800 . 6.000 2.331 1.771 3.616 0.029 9 0 "[ . 1 . 2]" 1
405 1 24 VAL H 1 25 VAL H 1.800 . 5.500 2.108 1.865 2.825 . 0 0 "[ . 1 . 2]" 1
406 1 25 VAL HA 1 26 MET H 1.800 . 5.500 3.582 3.553 3.593 . 0 0 "[ . 1 . 2]" 1
407 1 25 VAL QG 1 26 MET H 1.800 . 4.500 2.784 1.816 3.210 . 0 0 "[ . 1 . 2]" 1
408 1 26 MET HA 1 27 ALA H 1.800 . 4.000 2.571 2.195 3.586 . 0 0 "[ . 1 . 2]" 1
409 1 26 MET HB2 1 27 ALA H 1.800 . 5.500 3.498 1.833 4.614 . 0 0 "[ . 1 . 2]" 1
410 1 27 ALA H 1 28 ASN HB3 1.800 . 5.500 4.664 4.046 5.266 . 0 0 "[ . 1 . 2]" 1
411 1 28 ASN HD21 1 29 LYS HB2 1.800 . 5.500 3.712 2.576 4.728 . 0 0 "[ . 1 . 2]" 1
412 1 28 ASN HD22 1 29 LYS HB3 1.800 . 5.500 4.791 4.182 5.247 . 0 0 "[ . 1 . 2]" 1
413 1 27 ALA HA 1 28 ASN H 1.800 . 5.500 2.927 2.470 3.575 . 0 0 "[ . 1 . 2]" 1
414 1 27 ALA MB 1 28 ASN H 1.800 . 4.500 3.461 2.406 3.735 . 0 0 "[ . 1 . 2]" 1
415 1 28 ASN H 1 29 LYS HB3 1.800 . 5.500 5.149 4.582 5.552 0.052 7 0 "[ . 1 . 2]" 1
416 1 28 ASN H 1 29 LYS HB2 1.800 . 5.500 4.118 3.472 4.722 . 0 0 "[ . 1 . 2]" 1
417 1 28 ASN H 1 29 LYS H 1.800 . 4.000 2.193 1.804 2.668 . 0 0 "[ . 1 . 2]" 1
418 1 28 ASN HA 1 29 LYS H 1.800 . 5.500 3.549 3.517 3.588 . 0 0 "[ . 1 . 2]" 1
419 1 28 ASN HB3 1 29 LYS H 1.800 . 5.500 3.833 3.702 4.080 . 0 0 "[ . 1 . 2]" 1
420 1 28 ASN HD22 1 29 LYS H 1.800 . 2.700 2.673 2.537 2.724 0.024 8 0 "[ . 1 . 2]" 1
421 1 2 ASP HA 1 3 LEU H 1.800 . 4.000 3.155 2.302 3.511 . 0 0 "[ . 1 . 2]" 1
422 1 3 LEU H 1 4 ALA H 1.800 . 2.700 2.631 2.505 2.734 0.034 17 0 "[ . 1 . 2]" 1
423 1 30 THR HA 1 31 LEU QD 1.800 . 6.000 2.850 2.465 3.576 . 0 0 "[ . 1 . 2]" 1
424 1 30 THR HA 1 31 LEU HG 1.800 . 5.500 4.834 3.819 5.752 0.252 15 0 "[ . 1 . 2]" 1
425 1 30 THR MG 1 31 LEU QD 1.800 . 7.000 3.380 2.709 4.055 . 0 0 "[ . 1 . 2]" 1
426 1 29 LYS HA 1 30 THR H 1.800 . 5.500 2.326 2.191 2.642 . 0 0 "[ . 1 . 2]" 1
427 1 29 LYS QD 1 30 THR H 1.800 . 6.000 5.295 4.360 6.030 0.030 9 0 "[ . 1 . 2]" 1
428 1 29 LYS H 1 30 THR H 1.800 . 5.500 4.154 3.472 4.649 . 0 0 "[ . 1 . 2]" 1
429 1 30 THR H 1 31 LEU H 1.800 . 5.500 4.481 4.225 4.631 . 0 0 "[ . 1 . 2]" 1
430 1 30 THR MG 1 31 LEU HA 1.800 . 6.000 4.046 3.484 4.302 . 0 0 "[ . 1 . 2]" 1
431 1 30 THR HA 1 31 LEU H 1.800 . 4.000 2.587 2.241 3.071 . 0 0 "[ . 1 . 2]" 1
432 1 30 THR HB 1 31 LEU H 1.800 . 4.000 3.303 2.720 3.875 . 0 0 "[ . 1 . 2]" 1
433 1 30 THR MG 1 31 LEU H 1.800 . 4.500 1.955 1.774 3.013 0.026 2 0 "[ . 1 . 2]" 1
434 1 31 LEU H 1 32 LYS H 1.800 . 4.000 2.303 1.927 3.828 . 0 0 "[ . 1 . 2]" 1
435 1 31 LEU QB 1 32 LYS HA 1.800 . 4.000 3.934 3.838 4.060 0.060 20 0 "[ . 1 . 2]" 1
436 1 32 LYS HA 1 33 LYS HA 1.800 . 5.500 4.762 4.372 4.957 . 0 0 "[ . 1 . 2]" 1
437 1 32 LYS HA 1 33 LYS QB 1.800 . 4.500 4.190 3.900 4.494 . 0 0 "[ . 1 . 2]" 1
438 1 31 LEU HA 1 32 LYS H 1.800 . 5.500 3.357 2.481 3.490 . 0 0 "[ . 1 . 2]" 1
439 1 31 LEU QD 1 32 LYS H 1.800 . 6.000 3.895 3.533 4.088 . 0 0 "[ . 1 . 2]" 1
440 1 31 LEU HG 1 32 LYS H 1.800 . 5.500 5.014 3.972 5.551 0.051 3 0 "[ . 1 . 2]" 1
441 1 32 LYS HA 1 33 LYS H 1.800 . 4.000 3.386 2.415 3.603 . 0 0 "[ . 1 . 2]" 1
442 1 32 LYS QB 1 33 LYS H 1.800 . 4.500 2.072 1.776 2.505 0.024 18 0 "[ . 1 . 2]" 1
443 1 32 LYS QE 1 33 LYS H 1.800 . 4.500 4.103 3.314 4.613 0.113 3 0 "[ . 1 . 2]" 1
444 1 32 LYS H 1 33 LYS H 1.800 . 5.500 3.699 2.919 4.692 . 0 0 "[ . 1 . 2]" 1
445 1 33 LYS H 1 34 GLU HA 1.800 . 5.500 4.663 4.466 5.216 . 0 0 "[ . 1 . 2]" 1
446 1 33 LYS H 1 34 GLU QB 1.800 . 6.000 4.069 3.349 4.691 . 0 0 "[ . 1 . 2]" 1
447 1 33 LYS H 1 34 GLU H 1.800 . 4.000 2.108 1.807 2.591 . 0 0 "[ . 1 . 2]" 1
448 1 33 LYS QB 1 34 GLU HA 1.800 . 4.500 4.307 3.997 4.543 0.043 12 0 "[ . 1 . 2]" 1
449 1 33 LYS QG 1 34 GLU QB 1.800 . 4.500 3.753 2.961 4.445 . 0 0 "[ . 1 . 2]" 1
450 1 33 LYS HA 1 34 GLU H 1.800 . 5.500 3.535 3.489 3.581 . 0 0 "[ . 1 . 2]" 1
451 1 33 LYS QB 1 34 GLU H 1.800 . 3.200 3.121 2.425 3.400 0.200 11 0 "[ . 1 . 2]" 1
452 1 33 LYS QG 1 34 GLU H 1.800 . 5.500 2.448 1.773 3.675 0.027 9 0 "[ . 1 . 2]" 1
453 1 34 GLU H 1 35 ALA HA 1.800 . 5.500 5.365 5.121 5.504 0.004 19 0 "[ . 1 . 2]" 1
454 1 34 GLU H 1 35 ALA H 1.800 . 2.700 2.751 2.453 2.910 0.210 19 0 "[ . 1 . 2]" 1
455 1 34 GLU QB 1 35 ALA HA 1.800 . 6.000 4.107 3.764 4.517 . 0 0 "[ . 1 . 2]" 1
456 1 34 GLU HA 1 35 ALA H 1.800 . 4.000 3.524 3.422 3.595 . 0 0 "[ . 1 . 2]" 1
457 1 34 GLU QB 1 35 ALA H 1.800 . 4.500 3.019 2.258 3.585 . 0 0 "[ . 1 . 2]" 1
458 1 34 GLU HG3 1 35 ALA H 1.800 . 5.500 3.559 1.802 5.192 . 0 0 "[ . 1 . 2]" 1
459 1 35 ALA H 1 36 LEU MD2 1.800 . 6.500 3.129 2.331 5.330 . 0 0 "[ . 1 . 2]" 1
460 1 35 ALA HA 1 36 LEU H 1.800 . 5.500 3.560 3.504 3.594 . 0 0 "[ . 1 . 2]" 1
461 1 35 ALA MB 1 36 LEU H 1.800 . 3.200 2.338 1.884 2.830 . 0 0 "[ . 1 . 2]" 1
462 1 35 ALA H 1 36 LEU H 1.800 . 2.700 2.519 2.222 2.794 0.094 6 0 "[ . 1 . 2]" 1
463 1 36 LEU HG 1 37 GLU HA 1.800 . 4.000 4.000 3.748 4.133 0.133 8 0 "[ . 1 . 2]" 1
464 1 37 GLU QB 1 38 GLN QB 1.800 . 6.000 4.480 4.087 4.827 . 0 0 "[ . 1 . 2]" 1
465 1 36 LEU MD1 1 37 GLU H 1.800 . 6.000 3.438 2.615 4.283 . 0 0 "[ . 1 . 2]" 1
466 1 36 LEU H 1 37 GLU H 1.800 . 5.500 2.761 2.542 3.100 . 0 0 "[ . 1 . 2]" 1
467 1 37 GLU H 1 38 GLN H 1.800 . 4.000 2.301 1.932 2.725 . 0 0 "[ . 1 . 2]" 1
468 1 37 GLU HA 1 38 GLN H 1.800 . 4.000 3.343 3.145 3.535 . 0 0 "[ . 1 . 2]" 1
469 1 37 GLU QG 1 38 GLN H 1.800 . 6.000 4.270 3.504 4.695 . 0 0 "[ . 1 . 2]" 1
470 1 38 GLN H 1 39 PHE HA 1.800 . 5.500 5.163 4.909 5.402 . 0 0 "[ . 1 . 2]" 1
471 1 38 GLN H 1 39 PHE HB3 1.800 . 5.500 5.806 5.577 6.353 0.853 11 5 "[ ** 1+* . -]" 1
472 1 39 PHE HB2 1 40 GLY QA 1.800 . 5.500 4.034 3.552 4.581 . 0 0 "[ . 1 . 2]" 1
473 1 38 GLN QB 1 39 PHE QE 1.800 . 6.000 3.777 3.339 4.391 . 0 0 "[ . 1 . 2]" 1
474 1 38 GLN HG2 1 39 PHE QE 1.800 . 6.000 4.890 3.434 5.968 . 0 0 "[ . 1 . 2]" 1
475 1 38 GLN HG3 1 39 PHE QE 1.800 . 6.000 4.678 3.305 6.099 0.099 8 0 "[ . 1 . 2]" 1
476 1 38 GLN QB 1 39 PHE H 1.800 . 4.000 2.326 1.765 2.631 0.035 8 0 "[ . 1 . 2]" 1
477 1 38 GLN HG2 1 39 PHE H 1.800 . 4.000 4.165 3.225 4.952 0.952 11 3 "[ . - *+ . 2]" 1
478 1 38 GLN HG3 1 39 PHE H 1.800 . 5.500 3.382 2.211 4.963 . 0 0 "[ . 1 . 2]" 1
479 1 38 GLN H 1 39 PHE H 1.800 . 5.500 2.565 2.227 3.056 . 0 0 "[ . 1 . 2]" 1
480 1 3 LEU H 1 4 ALA MB 1.800 . 6.000 4.234 4.131 4.318 . 0 0 "[ . 1 . 2]" 1
481 1 4 ALA MB 1 5 ASN QB 1.800 . 6.000 3.993 3.848 4.197 . 0 0 "[ . 1 . 2]" 1
482 1 3 LEU HA 1 4 ALA H 1.800 . 4.000 3.330 3.224 3.426 . 0 0 "[ . 1 . 2]" 1
483 1 3 LEU QD 1 4 ALA H 1.800 . 6.000 3.819 1.996 4.471 . 0 0 "[ . 1 . 2]" 1
484 1 4 ALA H 1 5 ASN HA 1.800 . 5.500 5.122 4.941 5.201 . 0 0 "[ . 1 . 2]" 1
485 1 4 ALA H 1 5 ASN QB 1.800 . 4.000 4.020 3.975 4.052 0.052 10 0 "[ . 1 . 2]" 1
486 1 40 GLY QA 1 41 MET HA 1.800 . 5.500 4.122 3.989 4.589 . 0 0 "[ . 1 . 2]" 1
487 1 39 PHE HB2 1 40 GLY H 1.800 . 5.500 3.060 1.823 4.367 . 0 0 "[ . 1 . 2]" 1
488 1 39 PHE HB3 1 40 GLY H 1.800 . 4.000 3.995 3.404 4.299 0.299 8 0 "[ . 1 . 2]" 1
489 1 39 PHE QE 1 40 GLY H 1.800 . 6.500 4.001 3.558 5.339 . 0 0 "[ . 1 . 2]" 1
490 1 40 GLY H 1 41 MET HA 1.800 . 5.500 4.828 4.194 5.425 . 0 0 "[ . 1 . 2]" 1
491 1 40 GLY H 1 41 MET QG 1.800 . 5.500 3.557 2.444 5.043 . 0 0 "[ . 1 . 2]" 1
492 1 40 GLY QA 1 41 MET H 1.800 . 4.000 2.541 2.194 2.940 . 0 0 "[ . 1 . 2]" 1
493 1 40 GLY H 1 41 MET H 1.800 . 4.000 2.568 1.846 3.334 . 0 0 "[ . 1 . 2]" 1
494 1 41 MET H 1 42 TYR QB 1.800 . 5.500 3.649 3.112 4.787 . 0 0 "[ . 1 . 2]" 1
495 1 41 MET H 1 42 TYR H 1.800 . 4.000 2.187 1.790 2.989 0.010 1 0 "[ . 1 . 2]" 1
496 1 41 MET HA 1 42 TYR H 1.800 . 4.000 2.984 2.341 3.443 . 0 0 "[ . 1 . 2]" 1
497 1 41 MET HB3 1 42 TYR H 1.800 . 5.500 4.401 3.829 4.702 . 0 0 "[ . 1 . 2]" 1
498 1 41 MET QG 1 42 TYR H 1.800 . 5.500 3.365 2.013 4.390 . 0 0 "[ . 1 . 2]" 1
499 1 42 TYR H 1 43 SER HA 1.800 . 5.500 5.002 4.568 5.511 0.011 9 0 "[ . 1 . 2]" 1
500 1 42 TYR H 1 43 SER QB 1.800 . 5.500 4.149 3.496 4.948 . 0 0 "[ . 1 . 2]" 1
501 1 42 TYR H 1 43 SER H 1.800 . 5.500 2.697 2.370 3.001 . 0 0 "[ . 1 . 2]" 1
502 1 42 TYR QB 1 43 SER H 1.800 . 5.500 3.601 2.911 3.856 . 0 0 "[ . 1 . 2]" 1
503 1 42 TYR QD 1 43 SER H 1.800 . 6.000 4.018 1.830 4.631 . 0 0 "[ . 1 . 2]" 1
504 1 43 SER HA 1 44 GLU H 1.800 . 2.700 2.323 2.174 2.567 . 0 0 "[ . 1 . 2]" 1
505 1 43 SER QB 1 44 GLU H 1.800 . 4.000 2.953 2.211 3.501 . 0 0 "[ . 1 . 2]" 1
506 1 43 SER H 1 44 GLU H 1.800 . 5.500 4.568 4.439 4.711 . 0 0 "[ . 1 . 2]" 1
507 1 44 GLU H 1 45 ASP HB3 1.800 . 5.500 5.312 5.077 5.559 0.059 17 0 "[ . 1 . 2]" 1
508 1 44 GLU H 1 45 ASP HB2 1.800 . 5.500 5.414 5.180 5.555 0.055 17 0 "[ . 1 . 2]" 1
509 1 44 GLU H 1 45 ASP H 1.800 . 4.000 3.150 2.969 3.399 . 0 0 "[ . 1 . 2]" 1
510 1 44 GLU HA 1 45 ASP H 1.800 . 4.000 3.588 3.553 3.605 . 0 0 "[ . 1 . 2]" 1
511 1 44 GLU QB 1 45 ASP H 1.800 . 3.200 2.361 1.928 3.039 . 0 0 "[ . 1 . 2]" 1
512 1 44 GLU QG 1 45 ASP H 1.800 . 6.000 3.653 1.779 4.285 0.021 18 0 "[ . 1 . 2]" 1
513 1 45 ASP H 1 46 ALA MB 1.800 . 6.000 4.501 4.275 4.777 . 0 0 "[ . 1 . 2]" 1
514 1 45 ASP H 1 46 ALA H 1.800 . 4.000 2.873 2.758 3.240 . 0 0 "[ . 1 . 2]" 1
515 1 46 ALA HA 1 47 ILE HB 1.800 . 5.500 5.695 5.613 5.826 0.326 8 0 "[ . 1 . 2]" 1
516 1 45 ASP HA 1 46 ALA H 1.800 . 5.500 3.512 3.411 3.584 . 0 0 "[ . 1 . 2]" 1
517 1 45 ASP HB3 1 46 ALA H 1.800 . 4.000 2.794 2.406 3.125 . 0 0 "[ . 1 . 2]" 1
518 1 45 ASP HB2 1 46 ALA H 1.800 . 4.000 3.930 3.817 4.025 0.025 14 0 "[ . 1 . 2]" 1
519 1 46 ALA H 1 47 ILE HB 1.800 . 5.500 5.431 4.713 5.549 0.049 10 0 "[ . 1 . 2]" 1
520 1 46 ALA MB 1 47 ILE HB 1.800 . 3.700 3.593 3.441 3.825 0.125 19 0 "[ . 1 . 2]" 1
521 1 46 ALA HA 1 47 ILE H 1.800 . 5.500 3.536 3.496 3.553 . 0 0 "[ . 1 . 2]" 1
522 1 46 ALA MB 1 47 ILE H 1.800 . 4.500 1.935 1.776 2.150 0.024 14 0 "[ . 1 . 2]" 1
523 1 46 ALA H 1 47 ILE H 1.800 . 4.000 3.081 2.959 3.189 . 0 0 "[ . 1 . 2]" 1
524 1 47 ILE H 1 48 ILE QG 1.800 . 6.000 4.474 4.261 4.669 . 0 0 "[ . 1 . 2]" 1
525 1 47 ILE H 1 48 ILE MG 1.800 . 6.000 5.842 5.748 5.978 . 0 0 "[ . 1 . 2]" 1
526 1 47 ILE MG 1 48 ILE HA 1.800 . 4.500 3.355 3.125 3.665 . 0 0 "[ . 1 . 2]" 1
527 1 47 ILE HA 1 48 ILE H 1.800 . 4.000 3.399 3.321 3.515 . 0 0 "[ . 1 . 2]" 1
528 1 47 ILE HB 1 48 ILE H 1.800 . 4.000 4.035 2.982 4.206 0.206 20 0 "[ . 1 . 2]" 1
529 1 47 ILE MD 1 48 ILE H 1.800 . 6.000 4.796 4.501 4.970 . 0 0 "[ . 1 . 2]" 1
530 1 47 ILE MG 1 48 ILE H 1.800 . 4.500 2.285 1.847 3.697 . 0 0 "[ . 1 . 2]" 1
531 1 47 ILE H 1 48 ILE H 1.800 . 4.000 2.663 2.570 2.803 . 0 0 "[ . 1 . 2]" 1
532 1 48 ILE H 1 49 TYR QB 2.000 . 6.200 4.342 4.084 4.652 . 0 0 "[ . 1 . 2]" 1
533 1 48 ILE H 1 49 TYR H 1.800 . 4.000 2.469 2.232 2.826 . 0 0 "[ . 1 . 2]" 1
534 1 48 ILE MG 1 49 TYR HA 1.800 . 4.500 3.424 3.262 3.607 . 0 0 "[ . 1 . 2]" 1
535 1 49 TYR QD 1 50 GLN HA 1.800 . 6.000 3.361 3.006 4.048 . 0 0 "[ . 1 . 2]" 1
536 1 49 TYR QD 1 50 GLN QG 1.800 . 6.000 5.184 4.518 5.570 . 0 0 "[ . 1 . 2]" 1
537 1 49 TYR QE 1 50 GLN HA 1.800 . 4.500 4.459 4.134 4.589 0.089 15 0 "[ . 1 . 2]" 1
538 1 48 ILE HA 1 49 TYR H 1.800 . 4.000 3.520 3.453 3.570 . 0 0 "[ . 1 . 2]" 1
539 1 48 ILE HB 1 49 TYR H 1.800 . 4.000 2.861 2.671 3.110 . 0 0 "[ . 1 . 2]" 1
540 1 48 ILE QG 1 49 TYR H 1.800 . 6.000 4.294 4.194 4.352 . 0 0 "[ . 1 . 2]" 1
541 1 48 ILE MG 1 49 TYR H 1.800 . 4.500 3.288 3.022 3.503 . 0 0 "[ . 1 . 2]" 1
542 1 49 TYR H 1 50 GLN H 1.800 . 5.500 2.348 2.138 2.797 . 0 0 "[ . 1 . 2]" 1
543 1 4 ALA MB 1 5 ASN HA 1.800 . 6.000 3.861 3.758 3.964 . 0 0 "[ . 1 . 2]" 1
544 1 5 ASN QB 1 6 GLY H 1.800 . 4.000 2.871 2.607 3.493 . 0 0 "[ . 1 . 2]" 1
545 1 4 ALA HA 1 5 ASN H 1.800 . 5.500 3.445 3.384 3.510 . 0 0 "[ . 1 . 2]" 1
546 1 4 ALA MB 1 5 ASN H 1.800 . 3.200 2.759 2.421 3.046 . 0 0 "[ . 1 . 2]" 1
547 1 5 ASN H 1 6 GLY HA2 1.800 . 5.500 5.102 4.968 5.319 . 0 0 "[ . 1 . 2]" 1
548 1 5 ASN H 1 6 GLY H 1.800 . 2.700 2.456 2.298 2.677 . 0 0 "[ . 1 . 2]" 1
549 1 49 TYR QB 1 50 GLN HA 1.800 . 6.000 4.363 4.241 4.489 . 0 0 "[ . 1 . 2]" 1
550 1 50 GLN HA 1 51 VAL MG2 1.800 . 6.000 4.795 4.470 5.299 . 0 0 "[ . 1 . 2]" 1
551 1 50 GLN HB3 1 51 VAL MG2 1.800 . 6.000 4.215 3.467 5.414 . 0 0 "[ . 1 . 2]" 1
552 1 49 TYR QB 1 50 GLN H 1.800 . 4.500 2.981 2.129 3.329 . 0 0 "[ . 1 . 2]" 1
553 1 49 TYR QE 1 50 GLN H 1.800 . 6.000 5.693 4.693 5.947 . 0 0 "[ . 1 . 2]" 1
554 1 50 GLN H 1 51 VAL MG2 1.800 . 6.000 3.862 3.591 4.529 . 0 0 "[ . 1 . 2]" 1
555 1 51 VAL HB 1 52 GLN HB3 1.800 . 5.500 5.590 5.555 5.749 0.249 5 0 "[ . 1 . 2]" 1
556 1 50 GLN HA 1 51 VAL H 1.800 . 5.500 3.402 3.290 3.518 . 0 0 "[ . 1 . 2]" 1
557 1 50 GLN QG 1 51 VAL H 1.800 . 5.500 3.132 2.231 4.111 . 0 0 "[ . 1 . 2]" 1
558 1 50 GLN H 1 51 VAL H 1.800 . 4.000 2.276 2.061 2.839 . 0 0 "[ . 1 . 2]" 1
559 1 51 VAL H 1 52 GLN H 1.800 . 4.000 2.254 2.063 2.539 . 0 0 "[ . 1 . 2]" 1
560 1 52 GLN HB2 1 53 HIS QB 1.800 . 5.500 5.122 4.906 5.257 . 0 0 "[ . 1 . 2]" 1
561 1 51 VAL MG2 1 52 GLN QG 1.800 . 6.500 5.568 4.992 6.012 . 0 0 "[ . 1 . 2]" 1
562 1 51 VAL MG2 1 52 GLN H 1.800 . 6.000 3.858 3.648 4.135 . 0 0 "[ . 1 . 2]" 1
563 1 51 VAL MG1 1 52 GLN H 1.800 . 6.000 3.285 2.766 3.711 . 0 0 "[ . 1 . 2]" 1
564 1 52 GLN H 1 53 HIS QB 1.800 . 5.500 5.168 4.630 5.274 . 0 0 "[ . 1 . 2]" 1
565 1 52 GLN H 1 53 HIS HD2 1.800 . 5.500 2.734 2.135 3.314 . 0 0 "[ . 1 . 2]" 1
566 1 52 GLN H 1 53 HIS H 1.800 . 4.000 2.642 2.198 2.786 . 0 0 "[ . 1 . 2]" 1
567 1 52 GLN QG 1 53 HIS HA 1.800 . 6.000 5.462 5.207 5.772 . 0 0 "[ . 1 . 2]" 1
568 1 52 GLN HA 1 53 HIS HD2 1.800 . 5.500 4.080 3.807 4.478 . 0 0 "[ . 1 . 2]" 1
569 1 52 GLN HB2 1 53 HIS HD2 1.800 . 2.700 2.646 2.169 2.878 0.178 5 0 "[ . 1 . 2]" 1
570 1 52 GLN HB3 1 53 HIS HD2 1.800 . 2.700 2.757 2.669 2.818 0.118 9 0 "[ . 1 . 2]" 1
571 1 52 GLN QG 1 53 HIS HD2 1.800 . 6.000 4.403 4.055 4.582 . 0 0 "[ . 1 . 2]" 1
572 1 52 GLN HB2 1 53 HIS HE1 1.800 . 4.500 4.516 4.233 4.578 0.078 10 0 "[ . 1 . 2]" 1
573 1 52 GLN HB3 1 53 HIS HE1 1.800 . 4.000 3.413 3.132 3.832 . 0 0 "[ . 1 . 2]" 1
574 1 52 GLN QG 1 53 HIS HE1 1.800 . 6.000 4.766 4.125 5.608 . 0 0 "[ . 1 . 2]" 1
575 1 52 GLN HB2 1 53 HIS H 1.800 . 4.000 3.568 3.333 3.779 . 0 0 "[ . 1 . 2]" 1
576 1 52 GLN HB3 1 53 HIS H 1.800 . 4.000 3.608 3.477 3.794 . 0 0 "[ . 1 . 2]" 1
577 1 52 GLN HE21 1 53 HIS H 1.800 . 5.500 5.341 4.483 5.518 0.018 6 0 "[ . 1 . 2]" 1
578 1 52 GLN QG 1 53 HIS H 1.800 . 6.000 4.606 4.498 4.710 . 0 0 "[ . 1 . 2]" 1
579 1 53 HIS H 1 54 GLY HA3 1.800 . 5.500 4.478 4.408 4.554 . 0 0 "[ . 1 . 2]" 1
580 1 53 HIS H 1 54 GLY HA2 1.800 . 5.500 3.978 3.862 4.091 . 0 0 "[ . 1 . 2]" 1
581 1 53 HIS QB 1 54 GLY H 1.800 . 5.500 3.746 3.569 3.932 . 0 0 "[ . 1 . 2]" 1
582 1 53 HIS H 1 54 GLY H 1.800 . 4.000 1.912 1.801 2.101 . 0 0 "[ . 1 . 2]" 1
583 1 54 GLY H 1 55 LYS H 1.800 . 5.500 4.484 4.390 4.528 . 0 0 "[ . 1 . 2]" 1
584 1 54 GLY HA3 1 55 LYS H 1.800 . 2.700 2.092 2.050 2.175 . 0 0 "[ . 1 . 2]" 1
585 1 54 GLY HA2 1 55 LYS H 1.800 . 2.700 3.005 2.856 3.149 0.449 10 0 "[ . 1 . 2]" 1
586 1 55 LYS H 1 56 ASN HA 1.800 . 5.500 5.458 5.249 5.540 0.040 17 0 "[ . 1 . 2]" 1
587 1 55 LYS HA 1 56 ASN HA 1.800 . 5.500 4.443 4.392 4.499 . 0 0 "[ . 1 . 2]" 1
588 1 55 LYS QB 1 56 ASN HA 1.800 . 5.500 4.722 4.114 4.901 . 0 0 "[ . 1 . 2]" 1
589 1 55 LYS QG 1 56 ASN HA 1.800 . 5.500 5.350 5.148 5.476 . 0 0 "[ . 1 . 2]" 1
590 1 56 ASN HB3 1 57 ALA MB 1.800 . 6.000 3.412 3.268 3.693 . 0 0 "[ . 1 . 2]" 1
591 1 55 LYS QG 1 56 ASN HD21 1.800 . 5.500 3.274 2.812 3.922 . 0 0 "[ . 1 . 2]" 1
592 1 55 LYS QG 1 56 ASN HD22 1.800 . 5.500 3.739 3.326 4.089 . 0 0 "[ . 1 . 2]" 1
593 1 55 LYS HA 1 56 ASN H 1.800 . 2.700 2.220 2.129 2.813 0.113 10 0 "[ . 1 . 2]" 1
594 1 55 LYS QB 1 56 ASN H 1.800 . 4.000 3.221 1.755 3.509 0.045 10 0 "[ . 1 . 2]" 1
595 1 55 LYS QD 1 56 ASN H 1.800 . 6.000 4.068 2.459 5.259 . 0 0 "[ . 1 . 2]" 1
596 1 55 LYS QG 1 56 ASN H 1.800 . 5.500 3.482 3.030 3.722 . 0 0 "[ . 1 . 2]" 1
597 1 55 LYS H 1 56 ASN H 1.800 . 5.500 3.949 3.656 4.352 . 0 0 "[ . 1 . 2]" 1
598 1 56 ASN H 1 57 ALA H 1.800 . 5.500 4.087 3.351 4.172 . 0 0 "[ . 1 . 2]" 1
599 1 56 ASN HB2 1 57 ALA H 1.800 . 4.000 1.938 1.823 2.439 . 0 0 "[ . 1 . 2]" 1
600 1 56 ASN HB3 1 57 ALA H 1.800 . 4.000 2.592 2.315 3.512 . 0 0 "[ . 1 . 2]" 1
601 1 56 ASN HD21 1 57 ALA H 1.800 . 5.500 4.155 3.749 4.579 . 0 0 "[ . 1 . 2]" 1
602 1 56 ASN HD22 1 57 ALA H 1.800 . 5.500 5.433 5.193 5.502 0.002 7 0 "[ . 1 . 2]" 1
603 1 57 ALA H 1 58 MET HB3 1.800 . 5.500 4.192 3.855 4.541 . 0 0 "[ . 1 . 2]" 1
604 1 57 ALA H 1 58 MET HB2 1.800 . 5.500 3.975 3.678 4.384 . 0 0 "[ . 1 . 2]" 1
605 1 57 ALA H 1 58 MET H 1.800 . 5.500 2.609 1.971 3.093 . 0 0 "[ . 1 . 2]" 1
606 1 58 MET HA 1 59 PRO HB2 1.800 . 5.500 5.461 5.439 5.482 . 0 0 "[ . 1 . 2]" 1
607 1 58 MET HA 1 59 PRO HD3 1.800 . 4.000 1.912 1.815 2.054 . 0 0 "[ . 1 . 2]" 1
608 1 58 MET HA 1 59 PRO HD2 1.800 . 4.000 2.427 2.262 2.542 . 0 0 "[ . 1 . 2]" 1
609 1 58 MET ME 1 59 PRO HB2 1.800 . 6.000 5.127 4.552 5.381 . 0 0 "[ . 1 . 2]" 1
610 1 58 MET ME 1 59 PRO HD2 1.800 . 6.000 3.182 2.589 3.531 . 0 0 "[ . 1 . 2]" 1
611 1 58 MET ME 1 59 PRO HG2 1.800 . 6.000 3.917 3.062 4.184 . 0 0 "[ . 1 . 2]" 1
612 1 58 MET ME 1 59 PRO HG3 1.800 . 6.000 5.147 4.290 5.363 . 0 0 "[ . 1 . 2]" 1
613 1 57 ALA HA 1 58 MET H 1.800 . 4.000 2.880 2.681 3.210 . 0 0 "[ . 1 . 2]" 1
614 1 57 ALA MB 1 58 MET H 1.800 . 4.500 3.653 3.480 3.737 . 0 0 "[ . 1 . 2]" 1
615 1 58 MET HG2 1 59 PRO HA 1.800 . 5.500 4.354 4.029 5.329 . 0 0 "[ . 1 . 2]" 1
616 1 59 PRO HA 1 60 ALA H 1.800 . 2.700 2.247 2.185 2.379 . 0 0 "[ . 1 . 2]" 1
617 1 58 MET HB2 1 59 PRO HD3 1.800 . 5.500 4.091 3.888 4.323 . 0 0 "[ . 1 . 2]" 1
618 1 58 MET HG3 1 59 PRO HD3 1.800 . 5.500 3.066 2.816 3.369 . 0 0 "[ . 1 . 2]" 1
619 1 58 MET HG2 1 59 PRO HD3 1.800 . 5.500 3.585 3.310 4.741 . 0 0 "[ . 1 . 2]" 1
620 1 58 MET HB3 1 59 PRO HD2 1.800 . 5.500 3.935 3.796 4.083 . 0 0 "[ . 1 . 2]" 1
621 1 58 MET HB2 1 59 PRO HD2 1.800 . 5.500 3.623 3.218 3.889 . 0 0 "[ . 1 . 2]" 1
622 1 58 MET HG3 1 59 PRO HD2 1.800 . 4.000 1.774 1.716 1.874 0.084 12 0 "[ . 1 . 2]" 1
623 1 58 MET HG2 1 59 PRO HD2 1.800 . 5.500 2.225 1.864 3.434 . 0 0 "[ . 1 . 2]" 1
624 1 5 ASN QB 1 6 GLY HA3 1.800 . 5.500 4.477 4.333 4.677 . 0 0 "[ . 1 . 2]" 1
625 1 5 ASN QB 1 6 GLY HA2 1.800 . 5.500 3.884 3.742 4.171 . 0 0 "[ . 1 . 2]" 1
626 1 5 ASN HA 1 6 GLY H 1.800 . 5.500 3.473 3.185 3.553 . 0 0 "[ . 1 . 2]" 1
627 1 6 GLY H 1 7 ALA H 1.800 . 4.000 2.837 2.034 3.069 . 0 0 "[ . 1 . 2]" 1
628 1 59 PRO HB2 1 60 ALA H 1.800 . 4.500 3.958 3.738 4.147 . 0 0 "[ . 1 . 2]" 1
629 1 60 ALA HA 1 61 PHE QD 1.800 . 4.500 4.010 3.079 4.679 0.179 7 0 "[ . 1 . 2]" 1
630 1 60 ALA HA 1 61 PHE QE 1.800 . 6.500 5.254 4.609 5.766 . 0 0 "[ . 1 . 2]" 1
631 1 60 ALA HA 1 61 PHE H 1.800 . 2.700 2.338 2.211 2.462 . 0 0 "[ . 1 . 2]" 1
632 1 60 ALA MB 1 61 PHE H 1.800 . 4.500 2.804 2.337 3.481 . 0 0 "[ . 1 . 2]" 1
633 1 61 PHE H 1 62 ALA MB 1.800 . 6.000 3.725 3.455 4.316 . 0 0 "[ . 1 . 2]" 1
634 1 61 PHE H 1 62 ALA H 1.800 . 2.700 2.060 1.781 2.431 0.019 8 0 "[ . 1 . 2]" 1
635 1 61 PHE HB2 1 62 ALA HA 1.800 . 5.500 4.642 4.307 4.886 . 0 0 "[ . 1 . 2]" 1
636 1 61 PHE HB3 1 62 ALA H 1.800 . 5.500 3.982 3.221 4.370 . 0 0 "[ . 1 . 2]" 1
637 1 61 PHE HB2 1 62 ALA H 1.800 . 5.500 3.337 2.291 3.987 . 0 0 "[ . 1 . 2]" 1
638 1 61 PHE QD 1 62 ALA H 1.800 . 6.000 4.502 3.824 4.886 . 0 0 "[ . 1 . 2]" 1
639 1 62 ALA MB 1 63 GLY H 1.800 . 4.500 3.213 2.765 3.682 . 0 0 "[ . 1 . 2]" 1
640 1 62 ALA H 1 63 GLY H 1.800 . 5.500 2.832 2.683 3.136 . 0 0 "[ . 1 . 2]" 1
641 1 63 GLY H 1 64 ARG HA 1.800 . 4.500 4.395 4.165 4.565 0.065 17 0 "[ . 1 . 2]" 1
642 1 63 GLY H 1 64 ARG QD 1.800 . 5.500 5.365 5.216 5.499 . 0 0 "[ . 1 . 2]" 1
643 1 63 GLY H 1 64 ARG H 1.800 . 4.000 1.951 1.754 2.249 0.046 2 0 "[ . 1 . 2]" 1
644 1 64 ARG QB 1 65 LEU MD2 1.800 . 6.000 2.804 1.762 4.868 0.038 7 0 "[ . 1 . 2]" 1
645 1 63 GLY HA2 1 64 ARG H 1.800 . 4.000 3.007 2.732 3.489 . 0 0 "[ . 1 . 2]" 1
646 1 64 ARG H 1 65 LEU HA 1.800 . 5.500 4.784 4.679 4.916 . 0 0 "[ . 1 . 2]" 1
647 1 64 ARG QD 1 65 LEU HA 1.800 . 5.500 4.793 3.038 5.376 . 0 0 "[ . 1 . 2]" 1
648 1 65 LEU HA 1 66 THR MG 1.800 . 6.000 5.611 5.133 5.814 . 0 0 "[ . 1 . 2]" 1
649 1 64 ARG HA 1 65 LEU H 1.800 . 4.000 3.523 3.463 3.556 . 0 0 "[ . 1 . 2]" 1
650 1 65 LEU HA 1 66 THR H 1.800 . 2.700 2.795 2.115 3.051 0.351 5 0 "[ . 1 . 2]" 1
651 1 65 LEU QB 1 66 THR H 1.800 . 4.500 2.157 1.722 3.772 0.078 6 0 "[ . 1 . 2]" 1
652 1 65 LEU MD1 1 66 THR H 1.800 . 5.000 3.872 3.541 5.203 0.203 7 0 "[ . 1 . 2]" 1
653 1 65 LEU MD2 1 66 THR H 1.800 . 6.000 3.916 3.350 4.907 . 0 0 "[ . 1 . 2]" 1
654 1 65 LEU H 1 66 THR H 1.800 . 5.500 4.198 4.065 4.395 . 0 0 "[ . 1 . 2]" 1
655 1 66 THR HA 1 67 ASP H 1.800 . 4.000 3.013 2.376 3.562 . 0 0 "[ . 1 . 2]" 1
656 1 66 THR MG 1 67 ASP H 1.800 . 6.000 2.211 1.742 2.907 0.058 11 0 "[ . 1 . 2]" 1
657 1 67 ASP H 1 68 GLU H 1.800 . 4.000 2.640 2.324 2.920 . 0 0 "[ . 1 . 2]" 1
658 1 67 ASP HB2 1 68 GLU HA 1.800 . 5.500 4.969 4.034 5.679 0.179 4 0 "[ . 1 . 2]" 1
659 1 67 ASP HB3 1 68 GLU H 1.800 . 5.500 2.739 2.033 3.783 . 0 0 "[ . 1 . 2]" 1
660 1 67 ASP HB2 1 68 GLU H 1.800 . 4.000 2.829 2.153 3.796 . 0 0 "[ . 1 . 2]" 1
661 1 68 GLU H 1 69 GLN HA 1.800 . 5.500 5.230 5.107 5.357 . 0 0 "[ . 1 . 2]" 1
662 1 68 GLU H 1 69 GLN H 1.800 . 4.000 2.679 2.534 2.892 . 0 0 "[ . 1 . 2]" 1
663 1 68 GLU QG 1 69 GLN QE 1.800 . 5.500 3.177 1.753 4.515 0.047 12 0 "[ . 1 . 2]" 1
664 1 68 GLU HA 1 69 GLN H 1.800 . 5.500 3.285 3.183 3.354 . 0 0 "[ . 1 . 2]" 1
665 1 6 GLY HA3 1 7 ALA H 1.800 . 4.000 2.649 2.529 2.871 . 0 0 "[ . 1 . 2]" 1
666 1 6 GLY HA2 1 7 ALA H 1.800 . 4.000 3.581 3.533 3.598 . 0 0 "[ . 1 . 2]" 1
667 1 7 ALA H 1 8 LYS QB 1.800 . 6.000 4.619 4.398 5.442 . 0 0 "[ . 1 . 2]" 1
668 1 7 ALA H 1 8 LYS H 1.800 . 2.700 2.803 2.684 2.905 0.205 18 0 "[ . 1 . 2]" 1
669 1 69 GLN QB 1 70 ILE HA 1.800 . 6.000 3.958 3.739 4.094 . 0 0 "[ . 1 . 2]" 1
670 1 69 GLN HA 1 70 ILE H 1.800 . 5.500 3.527 3.472 3.603 . 0 0 "[ . 1 . 2]" 1
671 1 69 GLN QB 1 70 ILE H 1.800 . 6.000 2.890 2.569 3.155 . 0 0 "[ . 1 . 2]" 1
672 1 69 GLN H 1 70 ILE H 1.800 . 5.500 2.013 1.864 2.230 . 0 0 "[ . 1 . 2]" 1
673 1 70 ILE HA 1 71 GLN H 1.800 . 5.500 3.401 3.345 3.426 . 0 0 "[ . 1 . 2]" 1
674 1 70 ILE HB 1 71 GLN H 1.800 . 4.000 2.984 2.681 3.223 . 0 0 "[ . 1 . 2]" 1
675 1 70 ILE MD 1 71 GLN H 1.800 . 4.500 4.292 3.709 4.621 0.121 2 0 "[ . 1 . 2]" 1
676 1 70 ILE QG 1 71 GLN H 1.800 . 4.500 4.020 3.400 4.395 . 0 0 "[ . 1 . 2]" 1
677 1 71 GLN H 1 72 ASP QB 1.800 . 5.500 4.024 3.921 4.181 . 0 0 "[ . 1 . 2]" 1
678 1 71 GLN HB2 1 72 ASP QB 1.800 . 4.000 3.981 3.619 4.133 0.133 12 0 "[ . 1 . 2]" 1
679 1 71 GLN HB3 1 72 ASP H 1.800 . 2.700 2.548 2.286 2.712 0.012 19 0 "[ . 1 . 2]" 1
680 1 71 GLN HB2 1 72 ASP H 1.800 . 4.000 2.068 1.841 2.220 . 0 0 "[ . 1 . 2]" 1
681 1 71 GLN QG 1 72 ASP H 1.800 . 5.500 3.917 3.723 4.053 . 0 0 "[ . 1 . 2]" 1
682 1 71 GLN H 1 72 ASP H 1.800 . 4.000 2.559 2.422 2.677 . 0 0 "[ . 1 . 2]" 1
683 1 72 ASP H 1 73 VAL QG 1.800 . 6.000 4.321 3.979 4.938 . 0 0 "[ . 1 . 2]" 1
684 1 72 ASP HA 1 73 VAL H 1.800 . 5.500 3.551 3.523 3.595 . 0 0 "[ . 1 . 2]" 1
685 1 72 ASP QB 1 73 VAL H 1.800 . 4.000 2.486 2.129 2.817 . 0 0 "[ . 1 . 2]" 1
686 1 72 ASP H 1 73 VAL H 1.800 . 4.000 2.916 2.767 3.203 . 0 0 "[ . 1 . 2]" 1
687 1 73 VAL H 1 74 ALA MB 1.800 . 6.000 4.392 4.166 4.623 . 0 0 "[ . 1 . 2]" 1
688 1 73 VAL H 1 74 ALA H 1.800 . 2.700 2.704 2.492 2.862 0.162 17 0 "[ . 1 . 2]" 1
689 1 74 ALA MB 1 75 ALA MB 1.800 . 6.000 3.571 3.432 3.670 . 0 0 "[ . 1 . 2]" 1
690 1 73 VAL HA 1 74 ALA H 1.800 . 5.500 3.531 3.476 3.577 . 0 0 "[ . 1 . 2]" 1
691 1 73 VAL HB 1 74 ALA H 1.800 . 5.500 3.539 2.482 4.004 . 0 0 "[ . 1 . 2]" 1
692 1 73 VAL QG 1 74 ALA H 1.800 . 3.200 2.292 1.851 3.309 0.109 5 0 "[ . 1 . 2]" 1
693 1 74 ALA H 1 75 ALA H 1.800 . 4.000 2.740 2.531 2.962 . 0 0 "[ . 1 . 2]" 1
694 1 74 ALA MB 1 75 ALA HA 1.800 . 4.500 3.766 3.690 3.842 . 0 0 "[ . 1 . 2]" 1
695 1 74 ALA HA 1 75 ALA H 1.800 . 5.500 3.573 3.554 3.605 . 0 0 "[ . 1 . 2]" 1
696 1 74 ALA MB 1 75 ALA H 1.800 . 3.200 2.181 1.937 2.356 . 0 0 "[ . 1 . 2]" 1
697 1 75 ALA H 1 76 TYR HB3 1.800 . 5.500 4.697 4.478 4.889 . 0 0 "[ . 1 . 2]" 1
698 1 75 ALA H 1 76 TYR HB2 1.800 . 5.500 4.946 4.735 5.151 . 0 0 "[ . 1 . 2]" 1
699 1 76 TYR QD 1 77 VAL QG 1.800 . 6.000 2.925 2.001 4.260 . 0 0 "[ . 1 . 2]" 1
700 1 75 ALA HA 1 76 TYR H 1.800 . 5.500 3.426 3.413 3.446 . 0 0 "[ . 1 . 2]" 1
701 1 75 ALA MB 1 76 TYR H 1.800 . 3.200 2.899 2.813 2.978 . 0 0 "[ . 1 . 2]" 1
702 1 75 ALA H 1 76 TYR H 1.800 . 2.700 2.566 2.476 2.680 . 0 0 "[ . 1 . 2]" 1
703 1 76 TYR H 1 77 VAL HB 1.800 . 5.500 4.991 4.608 5.452 . 0 0 "[ . 1 . 2]" 1
704 1 76 TYR H 1 77 VAL QG 1.800 . 4.500 3.963 3.413 4.385 . 0 0 "[ . 1 . 2]" 1
705 1 76 TYR HA 1 77 VAL H 1.800 . 5.500 3.553 3.520 3.589 . 0 0 "[ . 1 . 2]" 1
706 1 76 TYR HB3 1 77 VAL H 1.800 . 5.500 2.480 2.233 2.592 . 0 0 "[ . 1 . 2]" 1
707 1 76 TYR HB2 1 77 VAL H 1.800 . 4.000 3.851 3.691 3.914 . 0 0 "[ . 1 . 2]" 1
708 1 76 TYR QD 1 77 VAL H 1.800 . 5.500 3.082 2.587 3.649 . 0 0 "[ . 1 . 2]" 1
709 1 76 TYR H 1 77 VAL H 1.800 . 2.700 2.648 2.523 2.803 0.103 18 0 "[ . 1 . 2]" 1
710 1 77 VAL H 1 78 LEU HA 1.800 . 5.500 5.165 5.069 5.266 . 0 0 "[ . 1 . 2]" 1
711 1 77 VAL H 1 78 LEU MD1 1.800 . 6.000 5.067 4.837 5.289 . 0 0 "[ . 1 . 2]" 1
712 1 77 VAL H 1 78 LEU MD2 1.800 . 6.000 3.564 3.296 3.932 . 0 0 "[ . 1 . 2]" 1
713 1 77 VAL H 1 78 LEU H 1.800 . 5.500 2.481 2.364 2.605 . 0 0 "[ . 1 . 2]" 1
714 1 77 VAL HA 1 78 LEU H 1.800 . 5.500 3.455 3.393 3.485 . 0 0 "[ . 1 . 2]" 1
715 1 77 VAL HB 1 78 LEU H 1.800 . 4.000 3.483 2.929 4.241 0.241 12 0 "[ . 1 . 2]" 1
716 1 77 VAL QG 1 78 LEU H 1.800 . 4.500 2.892 1.944 3.489 . 0 0 "[ . 1 . 2]" 1
717 1 78 LEU HA 1 79 ASP H 1.800 . 5.500 3.370 3.327 3.408 . 0 0 "[ . 1 . 2]" 1
718 1 78 LEU MD1 1 79 ASP H 1.800 . 6.000 5.050 4.929 5.203 . 0 0 "[ . 1 . 2]" 1
719 1 79 ASP H 1 80 GLN HB3 1.800 . 5.500 5.645 5.601 5.684 0.184 4 0 "[ . 1 . 2]" 1
720 1 79 ASP H 1 80 GLN HB2 1.800 . 5.500 4.394 4.150 4.532 . 0 0 "[ . 1 . 2]" 1
721 1 79 ASP H 1 80 GLN HE21 1.800 . 5.500 5.173 3.718 5.599 0.099 3 0 "[ . 1 . 2]" 1
722 1 79 ASP H 1 80 GLN HG2 1.800 . 5.500 3.702 3.413 5.985 0.485 6 0 "[ . 1 . 2]" 1
723 1 7 ALA HA 1 8 LYS H 1.800 . 4.000 3.504 3.402 3.555 . 0 0 "[ . 1 . 2]" 1
724 1 7 ALA MB 1 8 LYS H 1.800 . 3.200 2.830 2.454 3.158 . 0 0 "[ . 1 . 2]" 1
725 1 8 LYS H 1 9 VAL HB 1.800 . 5.500 4.688 4.431 5.052 . 0 0 "[ . 1 . 2]" 1
726 1 79 ASP HA 1 80 GLN H 1.800 . 4.000 3.508 3.481 3.539 . 0 0 "[ . 1 . 2]" 1
727 1 79 ASP HB3 1 80 GLN H 1.800 . 2.700 2.560 2.218 2.711 0.011 10 0 "[ . 1 . 2]" 1
728 1 80 GLN HB2 1 81 ALA HA 1.800 . 5.500 4.132 4.010 4.430 . 0 0 "[ . 1 . 2]" 1
729 1 80 GLN HA 1 81 ALA H 1.800 . 5.500 3.550 3.495 3.571 . 0 0 "[ . 1 . 2]" 1
730 1 80 GLN HB3 1 81 ALA H 1.800 . 4.000 3.760 3.605 3.899 . 0 0 "[ . 1 . 2]" 1
731 1 80 GLN HB2 1 81 ALA H 1.800 . 4.000 2.532 2.270 2.808 . 0 0 "[ . 1 . 2]" 1
732 1 80 GLN HG3 1 81 ALA H 1.800 . 5.500 4.497 4.141 4.906 . 0 0 "[ . 1 . 2]" 1
733 1 80 GLN HG2 1 81 ALA H 1.800 . 5.500 4.066 3.732 5.251 . 0 0 "[ . 1 . 2]" 1
734 1 80 GLN H 1 81 ALA H 1.800 . 2.700 2.544 2.388 2.707 0.007 14 0 "[ . 1 . 2]" 1
735 1 81 ALA H 1 82 ALA HA 1.800 . 5.500 5.241 5.005 5.385 . 0 0 "[ . 1 . 2]" 1
736 1 81 ALA H 1 82 ALA MB 1.800 . 6.000 4.292 4.039 4.526 . 0 0 "[ . 1 . 2]" 1
737 1 81 ALA H 1 82 ALA H 1.800 . 2.700 2.642 2.439 2.781 0.081 6 0 "[ . 1 . 2]" 1
738 1 81 ALA MB 1 82 ALA HA 1.800 . 4.500 3.844 3.753 3.969 . 0 0 "[ . 1 . 2]" 1
739 1 81 ALA MB 1 82 ALA H 1.800 . 3.200 2.723 2.273 3.180 . 0 0 "[ . 1 . 2]" 1
740 1 82 ALA H 1 83 LYS H 1.800 . 2.700 2.666 2.349 2.751 0.051 11 0 "[ . 1 . 2]" 1
741 1 82 ALA HA 1 83 LYS H 1.800 . 5.500 3.266 3.108 3.504 . 0 0 "[ . 1 . 2]" 1
742 1 82 ALA MB 1 83 LYS H 1.800 . 4.500 3.374 2.780 3.528 . 0 0 "[ . 1 . 2]" 1
743 1 83 LYS H 1 84 GLY HA2 1.800 . 5.500 4.515 4.372 4.770 . 0 0 "[ . 1 . 2]" 1
744 1 83 LYS HA 1 84 GLY H 1.800 . 5.500 3.016 2.579 3.487 . 0 0 "[ . 1 . 2]" 1
745 1 83 LYS QB 1 84 GLY H 1.800 . 4.500 3.896 3.517 4.091 . 0 0 "[ . 1 . 2]" 1
746 1 83 LYS QD 1 84 GLY H 1.800 . 6.000 5.027 1.768 5.861 0.032 12 0 "[ . 1 . 2]" 1
747 1 83 LYS H 1 84 GLY H 1.800 . 2.700 2.240 1.794 2.726 0.026 7 0 "[ . 1 . 2]" 1
748 1 84 GLY H 1 85 TRP HA 1.800 . 5.500 4.759 4.615 5.183 . 0 0 "[ . 1 . 2]" 1
749 1 84 GLY H 1 85 TRP HD1 1.800 . 5.500 5.473 5.142 5.707 0.207 10 0 "[ . 1 . 2]" 1
750 1 85 TRP HA 1 86 ALA MB 1.800 . 6.000 3.932 3.750 4.156 . 0 0 "[ . 1 . 2]" 1
751 1 84 GLY HA3 1 85 TRP H 1.800 . 4.000 3.482 3.183 3.533 . 0 0 "[ . 1 . 2]" 1
752 1 84 GLY HA2 1 85 TRP H 1.800 . 4.000 2.480 2.330 3.432 . 0 0 "[ . 1 . 2]" 1
753 1 84 GLY H 1 85 TRP H 1.800 . 2.700 2.812 2.720 2.883 0.183 11 0 "[ . 1 . 2]" 1
754 1 85 TRP H 1 86 ALA MB 1.800 . 6.000 5.474 5.370 5.539 . 0 0 "[ . 1 . 2]" 1
755 1 85 TRP H 1 86 ALA H 1.800 . 4.000 4.108 4.079 4.145 0.145 13 0 "[ . 1 . 2]" 1
756 1 85 TRP HA 1 86 ALA H 1.800 . 2.700 2.330 2.234 2.390 . 0 0 "[ . 1 . 2]" 1
757 1 85 TRP QB 1 86 ALA H 1.800 . 5.500 3.857 3.774 3.921 . 0 0 "[ . 1 . 2]" 1
758 1 86 ALA HA 1 87 GLY H 1.800 . 4.000 3.180 2.723 3.576 . 0 0 "[ . 1 . 2]" 1
759 1 86 ALA H 1 87 GLY H 1.800 . 2.700 2.790 2.673 2.851 0.151 16 0 "[ . 1 . 2]" 1
760 1 9 VAL H 1 10 PHE HA 1.800 . 5.500 5.271 4.906 5.540 0.040 7 0 "[ . 1 . 2]" 1
761 1 9 VAL H 1 10 PHE HB3 1.800 . 5.500 4.763 4.308 5.240 . 0 0 "[ . 1 . 2]" 1
762 1 8 LYS HA 1 9 VAL H 1.800 . 4.000 3.526 3.430 3.575 . 0 0 "[ . 1 . 2]" 1
763 1 8 LYS QB 1 9 VAL H 1.800 . 3.200 2.762 2.427 3.290 0.090 19 0 "[ . 1 . 2]" 1
764 1 8 LYS QG 1 9 VAL H 1.800 . 6.000 3.346 1.896 3.988 . 0 0 "[ . 1 . 2]" 1
765 1 8 LYS H 1 9 VAL H 1.800 . 2.700 2.579 2.062 2.735 0.035 6 0 "[ . 1 . 2]" 1
766 1 7 ALA HA 1 10 PHE HA 1.800 . 5.500 5.276 4.872 5.623 0.123 18 0 "[ . 1 . 2]" 1
767 1 7 ALA HA 1 10 PHE HB3 1.800 . 4.000 2.534 2.237 3.020 . 0 0 "[ . 1 . 2]" 1
768 1 7 ALA MB 1 10 PHE HB3 1.800 . 4.500 4.116 3.800 4.510 0.010 18 0 "[ . 1 . 2]" 1
769 1 7 ALA MB 1 10 PHE HB2 1.800 . 6.000 5.312 4.853 5.485 . 0 0 "[ . 1 . 2]" 1
770 1 10 PHE QD 1 14 CYS HB3 1.800 . 4.500 3.014 2.433 4.284 . 0 0 "[ . 1 . 2]" 1
771 1 10 PHE QD 1 14 CYS HB2 1.800 . 4.500 2.600 2.271 3.447 . 0 0 "[ . 1 . 2]" 1
772 1 10 PHE QD 1 15 ALA HA 1.800 . 6.000 4.243 3.795 4.593 . 0 0 "[ . 1 . 2]" 1
773 1 10 PHE QD 1 15 ALA MB 1.800 . 3.700 3.530 3.089 3.759 0.059 13 0 "[ . 1 . 2]" 1
774 1 7 ALA HA 1 10 PHE QD 1.800 . 4.500 4.031 3.494 4.717 0.217 7 0 "[ . 1 . 2]" 1
775 1 7 ALA MB 1 10 PHE QD 1.800 . 6.500 4.796 4.296 5.413 . 0 0 "[ . 1 . 2]" 1
776 1 10 PHE QE 1 14 CYS HB3 1.800 . 5.500 3.299 2.805 4.050 . 0 0 "[ . 1 . 2]" 1
777 1 10 PHE QE 1 14 CYS HB2 1.800 . 5.500 3.278 2.656 3.676 . 0 0 "[ . 1 . 2]" 1
778 1 10 PHE QE 1 15 ALA HA 1.800 . 5.500 3.092 2.477 3.817 . 0 0 "[ . 1 . 2]" 1
779 1 10 PHE QE 1 15 ALA MB 1.800 . 6.000 3.289 2.718 3.617 . 0 0 "[ . 1 . 2]" 1
780 1 10 PHE H 1 12 GLY H 1.800 . 5.500 4.267 3.639 4.763 . 0 0 "[ . 1 . 2]" 1
781 1 10 PHE H 1 13 ASN H 1.800 . 5.500 5.025 4.443 5.429 . 0 0 "[ . 1 . 2]" 1
782 1 6 GLY HA3 1 10 PHE H 1.800 . 5.500 4.650 4.255 4.947 . 0 0 "[ . 1 . 2]" 1
783 1 6 GLY HA2 1 10 PHE H 1.800 . 5.500 3.934 3.573 4.361 . 0 0 "[ . 1 . 2]" 1
784 1 7 ALA HA 1 10 PHE H 1.800 . 4.000 3.462 2.804 3.897 . 0 0 "[ . 1 . 2]" 1
785 1 7 ALA MB 1 10 PHE H 1.800 . 5.500 4.739 4.072 5.111 . 0 0 "[ . 1 . 2]" 1
786 1 7 ALA H 1 10 PHE H 1.800 . 5.500 4.752 4.399 4.955 . 0 0 "[ . 1 . 2]" 1
787 1 8 LYS QB 1 10 PHE H 1.800 . 6.000 5.037 4.543 5.435 . 0 0 "[ . 1 . 2]" 1
788 1 8 LYS H 1 10 PHE H 1.800 . 5.500 4.223 3.510 4.772 . 0 0 "[ . 1 . 2]" 1
789 1 10 PHE HZ 1 15 ALA HA 1.800 . 5.500 3.533 3.088 3.910 . 0 0 "[ . 1 . 2]" 1
790 1 11 SER HA 1 15 ALA HA 1.800 . 5.500 4.587 4.042 4.961 . 0 0 "[ . 1 . 2]" 1
791 1 8 LYS HA 1 11 SER QB 1.800 . 4.500 3.222 2.288 4.360 . 0 0 "[ . 1 . 2]" 1
792 1 11 SER H 1 13 ASN H 1.800 . 5.500 4.213 3.926 4.423 . 0 0 "[ . 1 . 2]" 1
793 1 11 SER H 1 14 CYS H 1.800 . 5.500 4.856 4.480 5.114 . 0 0 "[ . 1 . 2]" 1
794 1 7 ALA HA 1 11 SER H 1.800 . 5.500 3.520 3.008 3.904 . 0 0 "[ . 1 . 2]" 1
795 1 7 ALA MB 1 11 SER H 1.800 . 6.000 4.331 3.932 4.574 . 0 0 "[ . 1 . 2]" 1
796 1 8 LYS HA 1 11 SER H 1.800 . 4.000 3.833 3.075 4.143 0.143 17 0 "[ . 1 . 2]" 1
797 1 8 LYS QE 1 11 SER H 1.800 . 6.000 6.121 5.770 6.261 0.261 7 0 "[ . 1 . 2]" 1
798 1 8 LYS H 1 11 SER H 1.800 . 5.500 4.564 4.178 5.009 . 0 0 "[ . 1 . 2]" 1
799 1 9 VAL HA 1 11 SER H 1.800 . 5.500 4.166 3.826 4.798 . 0 0 "[ . 1 . 2]" 1
800 1 9 VAL HB 1 11 SER H 1.800 . 5.500 4.740 4.310 5.288 . 0 0 "[ . 1 . 2]" 1
801 1 9 VAL QG 1 11 SER H 1.800 . 6.000 4.310 3.997 4.703 . 0 0 "[ . 1 . 2]" 1
802 1 9 VAL HA 1 12 GLY H 1.800 . 5.500 4.053 3.313 4.666 . 0 0 "[ . 1 . 2]" 1
803 1 9 VAL QG 1 12 GLY H 1.800 . 6.000 4.310 4.083 5.015 . 0 0 "[ . 1 . 2]" 1
804 1 10 PHE HA 1 13 ASN HD21 1.800 . 5.500 4.143 3.872 5.307 . 0 0 "[ . 1 . 2]" 1
805 1 9 VAL HA 1 13 ASN HD21 1.800 . 4.000 2.514 1.891 3.540 . 0 0 "[ . 1 . 2]" 1
806 1 9 VAL HB 1 13 ASN HD21 1.800 . 5.500 4.373 3.691 5.564 0.064 12 0 "[ . 1 . 2]" 1
807 1 9 VAL QG 1 13 ASN HD21 1.800 . 4.500 2.275 1.747 3.495 0.053 5 0 "[ . 1 . 2]" 1
808 1 10 PHE HA 1 13 ASN HD22 1.800 . 5.500 5.410 4.187 5.621 0.121 15 0 "[ . 1 . 2]" 1
809 1 9 VAL HA 1 13 ASN HD22 1.800 . 4.000 2.320 1.831 3.126 . 0 0 "[ . 1 . 2]" 1
810 1 9 VAL HB 1 13 ASN HD22 1.800 . 5.500 4.866 3.884 5.512 0.012 4 0 "[ . 1 . 2]" 1
811 1 9 VAL QG 1 13 ASN HD22 1.800 . 4.500 2.675 1.776 3.700 0.024 12 0 "[ . 1 . 2]" 1
812 1 10 PHE HA 1 13 ASN H 1.800 . 5.500 3.463 3.194 3.959 . 0 0 "[ . 1 . 2]" 1
813 1 13 ASN H 1 15 ALA H 1.800 . 5.500 2.727 2.420 3.501 . 0 0 "[ . 1 . 2]" 1
814 1 9 VAL HA 1 13 ASN H 1.800 . 5.500 4.547 3.940 5.131 . 0 0 "[ . 1 . 2]" 1
815 1 9 VAL QG 1 13 ASN H 1.800 . 6.000 4.138 3.371 4.672 . 0 0 "[ . 1 . 2]" 1
816 1 10 PHE HA 1 14 CYS HA 1.800 . 5.500 4.456 4.027 5.213 . 0 0 "[ . 1 . 2]" 1
817 1 14 CYS HA 1 16 ALA MB 1.800 . 6.000 4.401 4.095 4.737 . 0 0 "[ . 1 . 2]" 1
818 1 14 CYS HA 1 17 CYS HB2 1.800 . 5.500 3.805 3.061 4.261 . 0 0 "[ . 1 . 2]" 1
819 1 14 CYS HA 1 18 HIS HD2 1.800 . 5.500 2.943 2.537 3.644 . 0 0 "[ . 1 . 2]" 1
820 1 14 CYS HB3 1 18 HIS HD2 1.800 . 5.500 2.969 2.053 3.516 . 0 0 "[ . 1 . 2]" 1
821 1 10 PHE HA 1 14 CYS H 1.800 . 4.000 2.496 2.072 3.655 . 0 0 "[ . 1 . 2]" 1
822 1 11 SER HA 1 14 CYS H 1.800 . 5.500 5.167 4.301 5.508 0.008 19 0 "[ . 1 . 2]" 1
823 1 15 ALA HA 1 18 HIS QB 1.800 . 5.500 3.248 2.885 3.513 . 0 0 "[ . 1 . 2]" 1
824 1 15 ALA HA 1 19 MET HB3 1.800 . 5.500 3.723 2.149 4.679 . 0 0 "[ . 1 . 2]" 1
825 1 10 PHE HA 1 15 ALA H 1.800 . 4.000 3.444 2.955 3.983 . 0 0 "[ . 1 . 2]" 1
826 1 10 PHE QE 1 15 ALA H 1.800 . 5.500 4.358 3.632 4.777 . 0 0 "[ . 1 . 2]" 1
827 1 11 SER QB 1 15 ALA H 1.800 . 6.000 5.556 5.136 5.861 . 0 0 "[ . 1 . 2]" 1
828 1 13 ASN HA 1 15 ALA H 1.800 . 5.500 4.445 4.148 5.178 . 0 0 "[ . 1 . 2]" 1
829 1 15 ALA H 1 17 CYS H 1.800 . 5.500 4.438 4.154 4.829 . 0 0 "[ . 1 . 2]" 1
830 1 15 ALA H 1 18 HIS HD2 1.800 . 5.500 5.484 5.202 5.584 0.084 4 0 "[ . 1 . 2]" 1
831 1 15 ALA H 1 18 HIS H 1.800 . 5.500 4.957 4.543 5.223 . 0 0 "[ . 1 . 2]" 1
832 1 14 CYS HA 1 16 ALA H 1.800 . 5.500 4.030 3.571 4.268 . 0 0 "[ . 1 . 2]" 1
833 1 16 ALA H 1 18 HIS H 1.800 . 5.500 4.050 3.669 4.314 . 0 0 "[ . 1 . 2]" 1
834 1 14 CYS HA 1 17 CYS H 1.800 . 5.500 3.434 3.071 3.782 . 0 0 "[ . 1 . 2]" 1
835 1 15 ALA HA 1 17 CYS H 1.800 . 5.500 4.273 3.539 4.889 . 0 0 "[ . 1 . 2]" 1
836 1 18 HIS HD1 1 23 ASN HB3 1.800 . 5.500 5.038 2.917 5.518 0.018 14 0 "[ . 1 . 2]" 1
837 1 15 ALA HA 1 18 HIS H 1.800 . 4.000 3.340 2.902 3.702 . 0 0 "[ . 1 . 2]" 1
838 1 16 ALA MB 1 18 HIS H 1.800 . 6.000 4.353 4.098 4.682 . 0 0 "[ . 1 . 2]" 1
839 1 15 ALA HA 1 19 MET H 1.800 . 4.000 1.969 1.767 3.157 0.033 3 0 "[ . 1 . 2]" 1
840 1 15 ALA MB 1 19 MET H 1.800 . 6.000 3.591 3.398 4.061 . 0 0 "[ . 1 . 2]" 1
841 1 17 CYS HA 1 19 MET H 1.800 . 5.500 5.338 4.165 5.682 0.182 17 0 "[ . 1 . 2]" 1
842 1 17 CYS H 1 19 MET H 1.800 . 5.500 4.172 3.480 4.595 . 0 0 "[ . 1 . 2]" 1
843 1 19 MET H 1 21 GLY HA2 1.800 . 5.500 5.493 5.089 5.577 0.077 14 0 "[ . 1 . 2]" 1
844 1 19 MET H 1 22 GLY H 1.800 . 5.500 4.202 3.788 4.645 . 0 0 "[ . 1 . 2]" 1
845 1 2 ASP H 1 4 ALA MB 1.800 . 4.500 4.486 4.269 4.656 0.156 16 0 "[ . 1 . 2]" 1
846 1 15 ALA HA 1 20 GLY H 1.800 . 5.500 4.156 3.694 4.845 . 0 0 "[ . 1 . 2]" 1
847 1 20 GLY H 1 22 GLY H 1.800 . 5.500 4.722 4.065 5.276 . 0 0 "[ . 1 . 2]" 1
848 1 18 HIS HA 1 21 GLY H 1.800 . 5.500 5.324 4.824 5.538 0.038 8 0 "[ . 1 . 2]" 1
849 1 19 MET HA 1 21 GLY H 1.800 . 5.500 4.212 3.407 4.549 . 0 0 "[ . 1 . 2]" 1
850 1 18 HIS QB 1 22 GLY H 1.800 . 5.500 2.853 2.240 3.795 . 0 0 "[ . 1 . 2]" 1
851 1 18 HIS HE1 1 23 ASN HA 1.800 . 5.500 3.739 3.196 4.180 . 0 0 "[ . 1 . 2]" 1
852 1 18 HIS HE1 1 23 ASN HB2 1.800 . 4.500 3.934 2.952 4.421 . 0 0 "[ . 1 . 2]" 1
853 1 24 VAL H 1 26 MET H 1.800 . 5.500 3.885 2.762 4.467 . 0 0 "[ . 1 . 2]" 1
854 1 26 MET HG3 1 29 LYS HB3 1.800 . 5.500 4.525 3.543 5.851 0.351 17 0 "[ . 1 . 2]" 1
855 1 26 MET HG3 1 29 LYS HB2 1.800 . 5.500 3.654 2.459 4.459 . 0 0 "[ . 1 . 2]" 1
856 1 26 MET HG2 1 29 LYS HB2 1.800 . 5.500 4.128 2.215 5.232 . 0 0 "[ . 1 . 2]" 1
857 1 24 VAL QG 1 26 MET H 1.800 . 6.000 4.292 3.586 5.145 . 0 0 "[ . 1 . 2]" 1
858 1 26 MET H 1 29 LYS HB2 1.800 . 5.500 5.289 4.736 5.657 0.157 11 0 "[ . 1 . 2]" 1
859 1 26 MET HB3 1 28 ASN HD21 1.800 . 5.500 3.481 2.066 5.246 . 0 0 "[ . 1 . 2]" 1
860 1 26 MET HB3 1 28 ASN H 1.800 . 5.500 3.420 2.752 4.229 . 0 0 "[ . 1 . 2]" 1
861 1 26 MET HA 1 29 LYS H 1.800 . 5.500 4.907 3.885 5.514 0.014 1 0 "[ . 1 . 2]" 1
862 1 26 MET HB3 1 29 LYS H 1.800 . 5.500 2.869 1.997 4.128 . 0 0 "[ . 1 . 2]" 1
863 1 26 MET HG3 1 29 LYS H 1.800 . 5.500 4.622 3.838 5.423 . 0 0 "[ . 1 . 2]" 1
864 1 3 LEU HA 1 6 GLY HA2 1.800 . 5.500 4.631 4.220 5.171 . 0 0 "[ . 1 . 2]" 1
865 1 3 LEU H 1 5 ASN H 1.800 . 5.500 4.349 4.083 4.649 . 0 0 "[ . 1 . 2]" 1
866 1 30 THR HA 1 35 ALA MB 1.800 . 6.000 4.493 3.718 5.160 . 0 0 "[ . 1 . 2]" 1
867 1 30 THR H 1 35 ALA HA 1.800 . 5.500 5.014 4.159 5.653 0.153 14 0 "[ . 1 . 2]" 1
868 1 30 THR H 1 35 ALA MB 1.800 . 4.500 2.235 1.778 2.728 0.022 10 0 "[ . 1 . 2]" 1
869 1 31 LEU HA 1 36 LEU MD1 1.800 . 4.500 3.386 1.814 4.655 0.155 2 0 "[ . 1 . 2]" 1
870 1 31 LEU QB 1 36 LEU MD2 1.800 . 4.500 3.698 3.177 4.008 . 0 0 "[ . 1 . 2]" 1
871 1 30 THR HB 1 32 LYS H 1.800 . 5.500 3.147 2.433 4.419 . 0 0 "[ . 1 . 2]" 1
872 1 32 LYS H 1 36 LEU MD2 1.800 . 5.000 3.029 1.775 4.359 0.025 20 0 "[ . 1 . 2]" 1
873 1 30 THR HA 1 32 LYS QZ 1.800 . 6.000 5.503 4.429 6.012 0.012 11 0 "[ . 1 . 2]" 1
874 1 30 THR HB 1 32 LYS QZ 1.800 . 6.000 3.512 2.425 4.410 . 0 0 "[ . 1 . 2]" 1
875 1 30 THR MG 1 32 LYS QZ 1.800 . 3.700 2.734 1.832 3.338 . 0 0 "[ . 1 . 2]" 1
876 1 32 LYS QZ 1 35 ALA MB 1.800 . 4.500 4.152 2.836 4.488 . 0 0 "[ . 1 . 2]" 1
877 1 33 LYS HA 1 36 LEU QB 1.800 . 4.500 3.991 3.398 4.484 . 0 0 "[ . 1 . 2]" 1
878 1 33 LYS HA 1 36 LEU MD2 1.800 . 4.500 2.228 1.781 3.004 0.019 4 0 "[ . 1 . 2]" 1
879 1 33 LYS HA 1 36 LEU MD1 1.800 . 4.500 2.440 1.809 3.894 . 0 0 "[ . 1 . 2]" 1
880 1 33 LYS HA 1 36 LEU HG 1.800 . 5.500 2.243 1.817 2.972 . 0 0 "[ . 1 . 2]" 1
881 1 33 LYS HA 1 37 GLU QG 1.800 . 6.000 3.697 2.012 5.074 . 0 0 "[ . 1 . 2]" 1
882 1 33 LYS QE 1 37 GLU QB 1.800 . 6.000 4.346 1.900 5.603 . 0 0 "[ . 1 . 2]" 1
883 1 33 LYS H 1 35 ALA H 1.800 . 5.500 3.160 2.643 4.770 . 0 0 "[ . 1 . 2]" 1
884 1 34 GLU HA 1 37 GLU QB 1.800 . 6.000 3.730 2.746 4.404 . 0 0 "[ . 1 . 2]" 1
885 1 32 LYS QE 1 34 GLU HG2 1.800 . 6.000 4.713 2.394 6.993 0.993 4 3 "[ +. -*1 . 2]" 1
886 1 32 LYS HA 1 34 GLU H 1.800 . 5.500 5.071 4.201 5.520 0.020 10 0 "[ . 1 . 2]" 1
887 1 32 LYS QB 1 34 GLU H 1.800 . 6.000 2.914 2.390 3.351 . 0 0 "[ . 1 . 2]" 1
888 1 32 LYS QE 1 34 GLU H 1.800 . 6.000 4.346 3.614 4.969 . 0 0 "[ . 1 . 2]" 1
889 1 32 LYS H 1 34 GLU H 1.800 . 5.500 5.447 5.100 5.546 0.046 2 0 "[ . 1 . 2]" 1
890 1 34 GLU H 1 36 LEU H 1.800 . 5.500 4.489 3.797 5.020 . 0 0 "[ . 1 . 2]" 1
891 1 35 ALA HA 1 38 GLN QB 1.800 . 4.000 2.166 1.726 3.228 0.074 3 0 "[ . 1 . 2]" 1
892 1 35 ALA HA 1 38 GLN HG2 1.800 . 4.000 3.444 1.878 4.063 0.063 14 0 "[ . 1 . 2]" 1
893 1 31 LEU HA 1 35 ALA MB 1.800 . 6.000 5.384 4.038 6.117 0.117 14 0 "[ . 1 . 2]" 1
894 1 33 LYS HA 1 35 ALA H 1.800 . 5.500 4.267 3.684 5.264 . 0 0 "[ . 1 . 2]" 1
895 1 31 LEU QD 1 36 LEU MD2 1.800 . 5.000 3.553 3.090 4.175 . 0 0 "[ . 1 . 2]" 1
896 1 31 LEU HG 1 36 LEU MD2 1.800 . 6.000 5.172 3.827 5.687 . 0 0 "[ . 1 . 2]" 1
897 1 31 LEU QD 1 36 LEU MD1 1.800 . 6.500 4.014 2.604 5.076 . 0 0 "[ . 1 . 2]" 1
898 1 31 LEU HA 1 36 LEU H 1.800 . 5.500 4.864 4.168 5.510 0.010 18 0 "[ . 1 . 2]" 1
899 1 32 LYS H 1 36 LEU H 1.800 . 5.500 4.861 3.493 5.416 . 0 0 "[ . 1 . 2]" 1
900 1 33 LYS HA 1 36 LEU H 1.800 . 5.500 3.892 3.338 4.488 . 0 0 "[ . 1 . 2]" 1
901 1 36 LEU H 1 38 GLN QB 1.800 . 5.500 4.611 4.203 5.368 . 0 0 "[ . 1 . 2]" 1
902 1 36 LEU H 1 38 GLN H 1.800 . 5.500 3.969 3.682 4.375 . 0 0 "[ . 1 . 2]" 1
903 1 37 GLU HA 1 42 TYR QB 1.800 . 4.000 2.775 2.532 3.134 . 0 0 "[ . 1 . 2]" 1
904 1 33 LYS HA 1 37 GLU H 1.800 . 5.500 3.485 2.259 4.673 . 0 0 "[ . 1 . 2]" 1
905 1 33 LYS QG 1 37 GLU H 1.800 . 5.500 4.876 3.433 5.238 . 0 0 "[ . 1 . 2]" 1
906 1 35 ALA HA 1 37 GLU H 1.800 . 5.500 4.091 3.620 4.736 . 0 0 "[ . 1 . 2]" 1
907 1 35 ALA H 1 37 GLU H 1.800 . 5.500 3.687 3.412 4.271 . 0 0 "[ . 1 . 2]" 1
908 1 37 GLU H 1 42 TYR QB 1.800 . 5.500 3.664 2.805 4.610 . 0 0 "[ . 1 . 2]" 1
909 1 35 ALA HA 1 38 GLN H 1.800 . 5.500 3.180 2.826 3.752 . 0 0 "[ . 1 . 2]" 1
910 1 35 ALA H 1 38 GLN H 1.800 . 5.500 4.395 3.841 4.808 . 0 0 "[ . 1 . 2]" 1
911 1 36 LEU HA 1 38 GLN H 1.800 . 5.500 4.048 3.642 4.595 . 0 0 "[ . 1 . 2]" 1
912 1 35 ALA HA 1 39 PHE QD 1.800 . 6.000 4.627 3.940 5.076 . 0 0 "[ . 1 . 2]" 1
913 1 35 ALA MB 1 39 PHE QD 1.800 . 5.000 4.311 3.911 4.823 . 0 0 "[ . 1 . 2]" 1
914 1 39 PHE QD 1 42 TYR QB 1.800 . 6.000 5.653 5.045 5.860 . 0 0 "[ . 1 . 2]" 1
915 1 35 ALA HA 1 39 PHE QE 1.800 . 6.000 3.745 2.747 4.454 . 0 0 "[ . 1 . 2]" 1
916 1 35 ALA MB 1 39 PHE QE 1.800 . 5.500 2.696 2.079 3.447 . 0 0 "[ . 1 . 2]" 1
917 1 39 PHE QE 1 42 TYR QB 1.800 . 6.000 5.635 4.670 5.955 . 0 0 "[ . 1 . 2]" 1
918 1 35 ALA HA 1 39 PHE H 1.800 . 4.000 4.102 4.002 4.258 0.258 19 0 "[ . 1 . 2]" 1
919 1 36 LEU H 1 39 PHE H 1.800 . 5.500 5.337 5.048 5.611 0.111 13 0 "[ . 1 . 2]" 1
920 1 37 GLU QG 1 39 PHE H 1.800 . 6.000 5.738 4.870 6.041 0.041 14 0 "[ . 1 . 2]" 1
921 1 37 GLU H 1 39 PHE H 1.800 . 5.500 4.394 3.758 5.213 . 0 0 "[ . 1 . 2]" 1
922 1 39 PHE H 1 41 MET H 1.800 . 5.500 4.611 3.864 5.443 . 0 0 "[ . 1 . 2]" 1
923 1 4 ALA HA 1 7 ALA MB 1.800 . 3.200 3.198 2.901 3.246 0.046 9 0 "[ . 1 . 2]" 1
924 1 2 ASP HB2 1 4 ALA MB 1.800 . 6.000 5.173 2.296 5.966 . 0 0 "[ . 1 . 2]" 1
925 1 4 ALA MB 1 6 GLY H 1.800 . 6.000 4.352 4.084 4.606 . 0 0 "[ . 1 . 2]" 1
926 1 2 ASP HA 1 4 ALA H 1.800 . 5.500 3.407 3.040 3.834 . 0 0 "[ . 1 . 2]" 1
927 1 2 ASP HB3 1 4 ALA H 1.800 . 5.500 4.371 2.431 5.298 . 0 0 "[ . 1 . 2]" 1
928 1 2 ASP H 1 4 ALA H 1.800 . 5.500 3.806 3.428 4.550 . 0 0 "[ . 1 . 2]" 1
929 1 4 ALA H 1 6 GLY H 1.800 . 5.500 3.832 3.608 4.113 . 0 0 "[ . 1 . 2]" 1
930 1 37 GLU QB 1 40 GLY H 1.800 . 6.000 5.205 4.430 6.041 0.041 20 0 "[ . 1 . 2]" 1
931 1 41 MET HA 1 46 ALA MB 1.800 . 3.200 2.243 1.742 3.470 0.270 8 0 "[ . 1 . 2]" 1
932 1 37 GLU QG 1 41 MET QG 1.800 . 4.500 4.468 4.374 4.533 0.033 19 0 "[ . 1 . 2]" 1
933 1 41 MET H 1 46 ALA MB 1.800 . 6.000 4.309 3.828 4.873 . 0 0 "[ . 1 . 2]" 1
934 1 37 GLU HA 1 42 TYR QD 1.800 . 4.500 3.975 1.839 4.575 0.075 1 0 "[ . 1 . 2]" 1
935 1 40 GLY QA 1 42 TYR H 1.800 . 4.000 3.507 2.910 4.111 0.111 17 0 "[ . 1 . 2]" 1
936 1 40 GLY H 1 42 TYR H 1.800 . 5.500 4.429 3.532 5.093 . 0 0 "[ . 1 . 2]" 1
937 1 42 TYR H 1 46 ALA MB 1.800 . 6.000 3.781 2.996 4.427 . 0 0 "[ . 1 . 2]" 1
938 1 43 SER HA 1 46 ALA MB 1.800 . 4.500 4.021 3.407 4.723 0.223 8 0 "[ . 1 . 2]" 1
939 1 41 MET HA 1 43 SER H 1.800 . 5.500 3.167 2.960 3.410 . 0 0 "[ . 1 . 2]" 1
940 1 43 SER H 1 46 ALA MB 1.800 . 4.500 2.291 1.809 3.399 . 0 0 "[ . 1 . 2]" 1
941 1 43 SER H 1 47 ILE MD 1.800 . 6.000 5.921 3.054 6.185 0.185 13 0 "[ . 1 . 2]" 1
942 1 43 SER H 1 47 ILE MG 1.800 . 4.500 4.482 4.211 4.829 0.329 19 0 "[ . 1 . 2]" 1
943 1 43 SER H 1 47 ILE H 1.800 . 5.500 3.792 2.656 4.396 . 0 0 "[ . 1 . 2]" 1
944 1 44 GLU HA 1 48 ILE QG 1.800 . 6.000 2.776 2.595 2.977 . 0 0 "[ . 1 . 2]" 1
945 1 44 GLU HA 1 48 ILE MG 1.800 . 5.000 5.212 5.157 5.267 0.267 5 0 "[ . 1 . 2]" 1
946 1 44 GLU QG 1 48 ILE QG 1.800 . 5.000 3.508 2.155 4.784 . 0 0 "[ . 1 . 2]" 1
947 1 44 GLU H 1 46 ALA H 1.800 . 5.500 4.080 3.720 4.541 . 0 0 "[ . 1 . 2]" 1
948 1 44 GLU H 1 47 ILE MD 1.800 . 6.500 6.468 5.043 6.641 0.141 2 0 "[ . 1 . 2]" 1
949 1 44 GLU H 1 47 ILE H 1.800 . 5.500 5.228 4.752 5.390 . 0 0 "[ . 1 . 2]" 1
950 1 44 GLU H 1 48 ILE QG 1.800 . 6.000 5.169 5.019 5.377 . 0 0 "[ . 1 . 2]" 1
951 1 45 ASP HA 1 48 ILE QG 1.800 . 3.700 3.754 3.682 3.788 0.088 6 0 "[ . 1 . 2]" 1
952 1 45 ASP HA 1 48 ILE MG 1.800 . 3.200 2.967 2.775 3.131 . 0 0 "[ . 1 . 2]" 1
953 1 43 SER HA 1 45 ASP H 1.800 . 5.500 4.795 4.320 5.416 . 0 0 "[ . 1 . 2]" 1
954 1 43 SER QB 1 45 ASP H 1.800 . 4.000 3.521 3.137 3.885 . 0 0 "[ . 1 . 2]" 1
955 1 45 ASP H 1 48 ILE HB 1.800 . 5.500 4.114 3.863 4.442 . 0 0 "[ . 1 . 2]" 1
956 1 45 ASP H 1 48 ILE QG 1.800 . 6.000 4.385 4.159 4.544 . 0 0 "[ . 1 . 2]" 1
957 1 45 ASP H 1 48 ILE MG 1.800 . 6.000 4.969 4.718 5.213 . 0 0 "[ . 1 . 2]" 1
958 1 44 GLU HA 1 46 ALA H 1.800 . 5.500 4.173 3.840 4.669 . 0 0 "[ . 1 . 2]" 1
959 1 47 ILE HB 1 50 GLN QG 1.800 . 4.500 4.103 3.757 4.303 . 0 0 "[ . 1 . 2]" 1
960 1 47 ILE MG 1 51 VAL MG2 1.800 . 3.700 3.132 2.228 3.586 . 0 0 "[ . 1 . 2]" 1
961 1 43 SER HA 1 47 ILE H 1.800 . 5.500 5.167 4.369 5.516 0.016 2 0 "[ . 1 . 2]" 1
962 1 44 GLU HA 1 47 ILE H 1.800 . 5.500 4.185 3.962 4.491 . 0 0 "[ . 1 . 2]" 1
963 1 45 ASP HA 1 47 ILE H 1.800 . 5.500 5.436 5.259 5.628 0.128 14 0 "[ . 1 . 2]" 1
964 1 47 ILE H 1 50 GLN QG 1.800 . 5.500 4.862 4.142 5.284 . 0 0 "[ . 1 . 2]" 1
965 1 48 ILE HA 1 51 VAL HB 1.800 . 4.000 2.796 2.285 3.162 . 0 0 "[ . 1 . 2]" 1
966 1 48 ILE HA 1 51 VAL MG1 1.800 . 6.000 4.085 3.674 4.486 . 0 0 "[ . 1 . 2]" 1
967 1 45 ASP HA 1 48 ILE HB 1.800 . 4.000 2.125 1.956 2.326 . 0 0 "[ . 1 . 2]" 1
968 1 44 GLU HA 1 48 ILE H 1.800 . 5.500 3.979 3.753 4.129 . 0 0 "[ . 1 . 2]" 1
969 1 45 ASP HA 1 48 ILE H 1.800 . 4.000 3.769 3.589 4.007 0.007 17 0 "[ . 1 . 2]" 1
970 1 45 ASP H 1 48 ILE H 1.800 . 5.500 4.789 4.676 4.984 . 0 0 "[ . 1 . 2]" 1
971 1 46 ALA HA 1 49 TYR QB 1.800 . 6.000 3.518 3.158 3.863 . 0 0 "[ . 1 . 2]" 1
972 1 49 TYR QD 1 52 GLN HB3 1.800 . 6.000 5.062 3.947 6.026 0.026 3 0 "[ . 1 . 2]" 1
973 1 49 TYR QD 1 53 HIS QB 1.800 . 6.000 4.692 4.242 5.094 . 0 0 "[ . 1 . 2]" 1
974 1 49 TYR QE 1 53 HIS QB 1.800 . 6.000 4.013 3.632 4.431 . 0 0 "[ . 1 . 2]" 1
975 1 49 TYR QE 1 53 HIS HD2 1.800 . 6.000 4.566 3.387 5.192 . 0 0 "[ . 1 . 2]" 1
976 1 45 ASP HA 1 49 TYR H 1.800 . 5.500 4.147 3.942 4.370 . 0 0 "[ . 1 . 2]" 1
977 1 46 ALA HA 1 49 TYR H 1.800 . 5.500 3.716 3.416 3.870 . 0 0 "[ . 1 . 2]" 1
978 1 47 ILE HA 1 49 TYR H 1.800 . 5.500 4.071 3.655 4.304 . 0 0 "[ . 1 . 2]" 1
979 1 49 TYR H 1 51 VAL H 1.800 . 5.500 3.741 3.409 4.052 . 0 0 "[ . 1 . 2]" 1
980 1 5 ASN HA 1 8 LYS QB 1.800 . 4.500 2.654 1.967 3.718 . 0 0 "[ . 1 . 2]" 1
981 1 5 ASN HA 1 8 LYS QD 1.800 . 6.000 4.180 1.824 4.972 . 0 0 "[ . 1 . 2]" 1
982 1 2 ASP HB3 1 5 ASN QB 1.800 . 5.500 4.330 3.745 5.327 . 0 0 "[ . 1 . 2]" 1
983 1 2 ASP HB2 1 5 ASN H 1.800 . 5.500 4.980 3.119 5.557 0.057 1 0 "[ . 1 . 2]" 1
984 1 2 ASP HB3 1 5 ASN H 1.800 . 5.500 4.651 3.000 5.591 0.091 10 0 "[ . 1 . 2]" 1
985 1 2 ASP H 1 5 ASN H 1.800 . 5.500 5.055 3.909 5.554 0.054 17 0 "[ . 1 . 2]" 1
986 1 5 ASN H 1 8 LYS QB 1.800 . 6.000 5.054 4.453 6.038 0.038 17 0 "[ . 1 . 2]" 1
987 1 50 GLN HA 1 54 GLY HA3 1.800 . 5.500 5.136 4.707 5.535 0.035 6 0 "[ . 1 . 2]" 1
988 1 50 GLN HB2 1 55 LYS QB 1.800 . 4.000 3.023 2.317 3.729 . 0 0 "[ . 1 . 2]" 1
989 1 47 ILE HA 1 50 GLN H 1.800 . 5.500 3.070 2.851 3.510 . 0 0 "[ . 1 . 2]" 1
990 1 47 ILE HA 1 51 VAL H 1.800 . 5.500 3.952 3.630 4.312 . 0 0 "[ . 1 . 2]" 1
991 1 47 ILE QG 1 51 VAL H 1.800 . 6.000 3.998 3.711 5.990 . 0 0 "[ . 1 . 2]" 1
992 1 47 ILE MG 1 51 VAL H 1.800 . 6.000 4.875 3.905 5.305 . 0 0 "[ . 1 . 2]" 1
993 1 48 ILE HA 1 51 VAL H 1.800 . 4.000 3.564 3.243 4.009 0.009 9 0 "[ . 1 . 2]" 1
994 1 49 TYR QB 1 51 VAL H 1.800 . 6.000 4.637 4.196 4.918 . 0 0 "[ . 1 . 2]" 1
995 1 51 VAL H 1 53 HIS H 1.800 . 5.500 3.606 3.358 3.839 . 0 0 "[ . 1 . 2]" 1
996 1 48 ILE HA 1 52 GLN HB2 1.800 . 5.500 4.543 3.967 4.923 . 0 0 "[ . 1 . 2]" 1
997 1 48 ILE MG 1 52 GLN HB2 1.800 . 6.000 3.476 3.018 4.024 . 0 0 "[ . 1 . 2]" 1
998 1 49 TYR HA 1 52 GLN HB2 1.800 . 5.500 2.887 2.241 3.461 . 0 0 "[ . 1 . 2]" 1
999 1 49 TYR QB 1 52 GLN HB2 1.800 . 6.000 4.868 4.314 5.348 . 0 0 "[ . 1 . 2]" 1
1000 1 48 ILE MG 1 52 GLN HE21 1.800 . 4.500 2.865 1.929 4.556 0.056 13 0 "[ . 1 . 2]" 1
1001 1 49 TYR HA 1 52 GLN HE21 1.800 . 5.500 3.824 2.601 5.362 . 0 0 "[ . 1 . 2]" 1
1002 1 48 ILE MG 1 52 GLN HE22 1.800 . 4.500 2.664 1.766 4.508 0.034 15 0 "[ . 1 . 2]" 1
1003 1 48 ILE MG 1 52 GLN QG 1.800 . 6.500 3.834 2.089 4.736 . 0 0 "[ . 1 . 2]" 1
1004 1 48 ILE HA 1 52 GLN H 1.800 . 5.500 3.897 3.553 4.152 . 0 0 "[ . 1 . 2]" 1
1005 1 48 ILE MG 1 52 GLN H 1.800 . 6.000 4.098 3.699 4.466 . 0 0 "[ . 1 . 2]" 1
1006 1 49 TYR HA 1 52 GLN H 1.800 . 4.000 3.474 2.994 3.855 . 0 0 "[ . 1 . 2]" 1
1007 1 49 TYR QB 1 52 GLN H 1.800 . 6.000 5.153 4.640 5.382 . 0 0 "[ . 1 . 2]" 1
1008 1 50 GLN H 1 52 GLN H 1.800 . 5.500 3.992 3.749 4.396 . 0 0 "[ . 1 . 2]" 1
1009 1 53 HIS QB 1 55 LYS QD 1.800 . 4.500 3.172 2.535 4.470 . 0 0 "[ . 1 . 2]" 1
1010 1 49 TYR HA 1 53 HIS HD2 1.800 . 2.700 2.729 2.545 2.837 0.137 17 0 "[ . 1 . 2]" 1
1011 1 49 TYR QB 1 53 HIS HD2 1.800 . 4.500 4.399 3.853 4.526 0.026 3 0 "[ . 1 . 2]" 1
1012 1 49 TYR QD 1 53 HIS HD2 1.800 . 4.500 3.834 2.682 4.356 . 0 0 "[ . 1 . 2]" 1
1013 1 53 HIS HD2 1 55 LYS QG 1.800 . 5.500 5.375 5.335 5.448 . 0 0 "[ . 1 . 2]" 1
1014 1 49 TYR QB 1 53 HIS HE1 1.800 . 6.000 5.490 4.486 6.068 0.068 13 0 "[ . 1 . 2]" 1
1015 1 49 TYR QD 1 53 HIS HE1 1.800 . 4.500 3.750 2.472 4.403 . 0 0 "[ . 1 . 2]" 1
1016 1 49 TYR QE 1 53 HIS HE1 1.800 . 4.500 3.620 2.422 4.406 . 0 0 "[ . 1 . 2]" 1
1017 1 49 TYR QD 1 53 HIS H 1.800 . 6.000 5.369 4.915 5.567 . 0 0 "[ . 1 . 2]" 1
1018 1 49 TYR QE 1 53 HIS H 1.800 . 6.000 5.906 5.348 6.098 0.098 5 0 "[ . 1 . 2]" 1
1019 1 50 GLN QG 1 53 HIS H 1.800 . 5.500 5.293 5.122 5.457 . 0 0 "[ . 1 . 2]" 1
1020 1 51 VAL MG2 1 53 HIS H 1.800 . 6.000 4.995 4.847 5.143 . 0 0 "[ . 1 . 2]" 1
1021 1 53 HIS H 1 55 LYS H 1.800 . 5.500 5.794 5.690 5.886 0.386 5 0 "[ . 1 . 2]" 1
1022 1 54 GLY HA3 1 58 MET ME 1.800 . 6.000 3.870 3.512 4.640 . 0 0 "[ . 1 . 2]" 1
1023 1 54 GLY HA3 1 58 MET HG2 1.800 . 5.500 2.622 2.072 3.327 . 0 0 "[ . 1 . 2]" 1
1024 1 54 GLY HA2 1 58 MET HB3 1.800 . 5.500 2.465 2.053 3.114 . 0 0 "[ . 1 . 2]" 1
1025 1 54 GLY HA2 1 58 MET HB2 1.800 . 5.500 3.766 3.500 4.267 . 0 0 "[ . 1 . 2]" 1
1026 1 54 GLY HA2 1 58 MET ME 1.800 . 6.000 2.511 2.163 3.126 . 0 0 "[ . 1 . 2]" 1
1027 1 54 GLY HA2 1 58 MET HG3 1.800 . 5.500 3.346 2.051 3.579 . 0 0 "[ . 1 . 2]" 1
1028 1 54 GLY HA2 1 58 MET HG2 1.800 . 5.500 1.919 1.729 2.153 0.071 6 0 "[ . 1 . 2]" 1
1029 1 52 GLN HB2 1 54 GLY H 1.800 . 5.500 5.343 5.095 5.589 0.089 14 0 "[ . 1 . 2]" 1
1030 1 54 GLY H 1 58 MET ME 1.800 . 6.000 3.209 2.929 3.574 . 0 0 "[ . 1 . 2]" 1
1031 1 54 GLY H 1 58 MET HG3 1.800 . 5.500 5.367 3.949 5.557 0.057 8 0 "[ . 1 . 2]" 1
1032 1 54 GLY H 1 59 PRO HA 1.800 . 5.500 5.558 5.334 5.643 0.143 18 0 "[ . 1 . 2]" 1
1033 1 50 GLN QG 1 55 LYS QB 1.800 . 5.500 3.704 2.241 4.731 . 0 0 "[ . 1 . 2]" 1
1034 1 55 LYS QB 1 58 MET HB3 1.800 . 5.500 3.181 2.632 3.551 . 0 0 "[ . 1 . 2]" 1
1035 1 55 LYS H 1 58 MET HB3 1.800 . 4.000 2.069 1.822 2.435 . 0 0 "[ . 1 . 2]" 1
1036 1 55 LYS H 1 58 MET HB2 1.800 . 4.000 3.650 3.240 4.102 0.102 6 0 "[ . 1 . 2]" 1
1037 1 55 LYS H 1 58 MET ME 1.800 . 6.000 4.998 4.800 5.387 . 0 0 "[ . 1 . 2]" 1
1038 1 55 LYS H 1 58 MET HG3 1.800 . 5.500 4.755 4.066 4.987 . 0 0 "[ . 1 . 2]" 1
1039 1 55 LYS H 1 58 MET HG2 1.800 . 5.500 3.744 3.427 3.965 . 0 0 "[ . 1 . 2]" 1
1040 1 55 LYS H 1 58 MET H 1.800 . 4.000 2.368 2.259 2.527 . 0 0 "[ . 1 . 2]" 1
1041 1 55 LYS H 1 60 ALA HA 1.800 . 5.500 5.161 4.920 5.346 . 0 0 "[ . 1 . 2]" 1
1042 1 58 MET ME 1 60 ALA HA 1.800 . 6.000 4.272 3.864 4.565 . 0 0 "[ . 1 . 2]" 1
1043 1 58 MET ME 1 61 PHE HB2 1.800 . 6.000 4.492 3.589 5.433 . 0 0 "[ . 1 . 2]" 1
1044 1 55 LYS QB 1 58 MET H 1.800 . 5.500 4.301 3.457 4.662 . 0 0 "[ . 1 . 2]" 1
1045 1 56 ASN HA 1 58 MET H 1.800 . 5.500 4.794 4.626 4.962 . 0 0 "[ . 1 . 2]" 1
1046 1 56 ASN HB3 1 58 MET H 1.800 . 5.500 4.981 4.695 5.377 . 0 0 "[ . 1 . 2]" 1
1047 1 3 LEU HA 1 6 GLY H 1.800 . 4.000 2.753 2.384 3.643 . 0 0 "[ . 1 . 2]" 1
1048 1 3 LEU QD 1 6 GLY H 1.800 . 6.000 4.042 2.678 5.132 . 0 0 "[ . 1 . 2]" 1
1049 1 6 GLY H 1 8 LYS QB 1.800 . 6.000 4.685 4.372 5.528 . 0 0 "[ . 1 . 2]" 1
1050 1 6 GLY H 1 8 LYS H 1.800 . 5.500 3.907 3.570 4.143 . 0 0 "[ . 1 . 2]" 1
1051 1 6 GLY H 1 9 VAL HB 1.800 . 5.500 5.500 5.277 5.636 0.136 19 0 "[ . 1 . 2]" 1
1052 1 6 GLY H 1 9 VAL QG 1.800 . 6.000 4.736 3.858 5.356 . 0 0 "[ . 1 . 2]" 1
1053 1 58 MET HG2 1 60 ALA HA 1.800 . 5.500 4.508 4.136 4.748 . 0 0 "[ . 1 . 2]" 1
1054 1 58 MET ME 1 60 ALA H 1.800 . 5.500 5.403 5.165 5.546 0.046 12 0 "[ . 1 . 2]" 1
1055 1 61 PHE HA 1 64 ARG QD 1.800 . 5.500 3.759 2.411 5.122 . 0 0 "[ . 1 . 2]" 1
1056 1 61 PHE HA 1 65 LEU MD2 1.800 . 6.000 4.382 3.397 6.392 0.392 19 0 "[ . 1 . 2]" 1
1057 1 61 PHE HB3 1 65 LEU HG 1.800 . 5.500 2.965 1.738 5.194 0.062 7 0 "[ . 1 . 2]" 1
1058 1 61 PHE HB2 1 64 ARG QB 1.800 . 5.500 3.884 3.197 4.622 . 0 0 "[ . 1 . 2]" 1
1059 1 61 PHE HB2 1 65 LEU HG 1.800 . 5.500 4.042 2.847 5.487 . 0 0 "[ . 1 . 2]" 1
1060 1 58 MET ME 1 61 PHE QD 1.800 . 3.700 2.838 1.834 3.830 0.130 6 0 "[ . 1 . 2]" 1
1061 1 58 MET HG3 1 61 PHE QD 1.800 . 6.000 5.448 4.303 6.084 0.084 12 0 "[ . 1 . 2]" 1
1062 1 59 PRO HB3 1 61 PHE QD 1.800 . 6.000 5.848 5.060 6.079 0.079 20 0 "[ . 1 . 2]" 1
1063 1 59 PRO HB2 1 61 PHE QD 1.800 . 4.500 4.354 3.427 4.636 0.136 20 0 "[ . 1 . 2]" 1
1064 1 59 PRO HG3 1 61 PHE QD 1.800 . 6.000 5.942 5.624 6.134 0.134 4 0 "[ . 1 . 2]" 1
1065 1 61 PHE QD 1 63 GLY HA2 1.800 . 6.000 6.298 6.020 6.797 0.797 2 6 "[ +**. - 1 . ** 2]" 1
1066 1 61 PHE QD 1 64 ARG QB 1.800 . 4.500 1.793 1.669 2.309 0.131 11 0 "[ . 1 . 2]" 1
1067 1 61 PHE QD 1 64 ARG QD 1.800 . 6.000 3.028 1.715 4.083 0.085 6 0 "[ . 1 . 2]" 1
1068 1 61 PHE QD 1 64 ARG QG 1.800 . 6.500 3.086 1.789 3.881 0.011 7 0 "[ . 1 . 2]" 1
1069 1 61 PHE QD 1 65 LEU MD2 1.800 . 5.000 2.363 1.796 3.630 0.004 13 0 "[ . 1 . 2]" 1
1070 1 61 PHE QD 1 65 LEU HG 1.800 . 4.500 2.759 1.784 4.643 0.143 2 0 "[ . 1 . 2]" 1
1071 1 58 MET ME 1 61 PHE QE 1.800 . 3.700 2.529 1.974 3.098 . 0 0 "[ . 1 . 2]" 1
1072 1 58 MET HG3 1 61 PHE QE 1.800 . 6.000 4.086 2.845 4.856 . 0 0 "[ . 1 . 2]" 1
1073 1 58 MET HG2 1 61 PHE QE 1.800 . 6.000 3.894 3.196 5.268 . 0 0 "[ . 1 . 2]" 1
1074 1 59 PRO HB3 1 61 PHE QE 1.800 . 6.000 4.677 3.503 5.161 . 0 0 "[ . 1 . 2]" 1
1075 1 59 PRO HB2 1 61 PHE QE 1.800 . 4.500 3.354 1.942 3.938 . 0 0 "[ . 1 . 2]" 1
1076 1 59 PRO HG3 1 61 PHE QE 1.800 . 6.000 4.184 3.467 4.494 . 0 0 "[ . 1 . 2]" 1
1077 1 61 PHE QE 1 64 ARG QB 1.800 . 6.000 3.213 2.317 3.957 . 0 0 "[ . 1 . 2]" 1
1078 1 61 PHE QE 1 64 ARG QD 1.800 . 6.000 2.892 1.764 3.917 0.036 17 0 "[ . 1 . 2]" 1
1079 1 61 PHE QE 1 65 LEU MD2 1.800 . 5.000 2.826 1.915 3.985 . 0 0 "[ . 1 . 2]" 1
1080 1 61 PHE QE 1 65 LEU HG 1.800 . 6.000 4.142 2.461 5.605 . 0 0 "[ . 1 . 2]" 1
1081 1 61 PHE H 1 64 ARG QB 1.800 . 5.500 4.481 4.158 5.125 . 0 0 "[ . 1 . 2]" 1
1082 1 58 MET HG2 1 61 PHE HZ 1.800 . 5.500 5.496 5.215 5.609 0.109 11 0 "[ . 1 . 2]" 1
1083 1 59 PRO HB2 1 61 PHE HZ 1.800 . 4.000 3.707 3.258 4.016 0.016 14 0 "[ . 1 . 2]" 1
1084 1 61 PHE HZ 1 64 ARG QB 1.800 . 5.500 4.937 4.293 5.312 . 0 0 "[ . 1 . 2]" 1
1085 1 61 PHE HZ 1 64 ARG QD 1.800 . 5.500 4.501 3.379 5.399 . 0 0 "[ . 1 . 2]" 1
1086 1 61 PHE HZ 1 65 LEU MD2 1.800 . 6.000 4.160 3.548 5.309 . 0 0 "[ . 1 . 2]" 1
1087 1 60 ALA HA 1 62 ALA H 1.800 . 4.000 3.950 3.711 4.188 0.188 2 0 "[ . 1 . 2]" 1
1088 1 60 ALA MB 1 62 ALA H 1.800 . 4.500 3.120 2.565 4.160 . 0 0 "[ . 1 . 2]" 1
1089 1 61 PHE HB3 1 63 GLY H 1.800 . 5.500 3.889 2.661 4.771 . 0 0 "[ . 1 . 2]" 1
1090 1 61 PHE HB2 1 63 GLY H 1.800 . 5.500 4.446 2.757 5.227 . 0 0 "[ . 1 . 2]" 1
1091 1 61 PHE H 1 63 GLY H 1.800 . 5.500 4.348 4.028 4.926 . 0 0 "[ . 1 . 2]" 1
1092 1 61 PHE H 1 64 ARG H 1.800 . 5.000 4.964 4.794 5.204 0.204 2 0 "[ . 1 . 2]" 1
1093 1 62 ALA MB 1 64 ARG H 1.800 . 6.000 4.636 4.512 4.819 . 0 0 "[ . 1 . 2]" 1
1094 1 64 ARG H 1 66 THR H 1.800 . 5.500 5.805 5.670 5.942 0.442 3 0 "[ . 1 . 2]" 1
1095 1 65 LEU MD1 1 70 ILE QG 1.800 . 6.500 3.831 2.682 5.173 . 0 0 "[ . 1 . 2]" 1
1096 1 61 PHE HB3 1 65 LEU H 1.800 . 5.500 2.574 2.001 3.306 . 0 0 "[ . 1 . 2]" 1
1097 1 61 PHE H 1 65 LEU H 1.800 . 5.500 5.633 5.109 5.776 0.276 6 0 "[ . 1 . 2]" 1
1098 1 65 LEU H 1 70 ILE QG 1.800 . 6.000 3.913 3.056 5.137 . 0 0 "[ . 1 . 2]" 1
1099 1 65 LEU H 1 70 ILE MG 1.800 . 6.000 5.416 4.555 6.113 0.113 18 0 "[ . 1 . 2]" 1
1100 1 66 THR HB 1 68 GLU QB 1.800 . 4.000 4.037 3.939 4.138 0.138 20 0 "[ . 1 . 2]" 1
1101 1 66 THR MG 1 70 ILE QG 1.800 . 5.000 5.059 4.881 5.169 0.169 20 0 "[ . 1 . 2]" 1
1102 1 66 THR H 1 69 GLN HA 1.800 . 5.500 5.314 4.729 5.623 0.123 15 0 "[ . 1 . 2]" 1
1103 1 66 THR H 1 69 GLN QB 1.800 . 4.500 2.668 1.880 3.299 . 0 0 "[ . 1 . 2]" 1
1104 1 66 THR H 1 69 GLN QG 1.800 . 4.500 2.939 2.034 4.666 0.166 10 0 "[ . 1 . 2]" 1
1105 1 66 THR H 1 70 ILE H 1.800 . 5.500 4.196 3.718 5.005 . 0 0 "[ . 1 . 2]" 1
1106 1 67 ASP H 1 69 GLN QE 1.800 . 5.500 4.974 4.462 5.315 . 0 0 "[ . 1 . 2]" 1
1107 1 67 ASP HA 1 70 ILE QG 1.800 . 4.500 2.834 2.004 3.712 . 0 0 "[ . 1 . 2]" 1
1108 1 67 ASP H 1 70 ILE QG 1.800 . 6.000 4.009 2.905 5.067 . 0 0 "[ . 1 . 2]" 1
1109 1 67 ASP H 1 70 ILE H 1.800 . 5.500 3.790 2.529 4.926 . 0 0 "[ . 1 . 2]" 1
1110 1 68 GLU HA 1 71 GLN HB3 1.800 . 5.500 3.937 3.510 4.249 . 0 0 "[ . 1 . 2]" 1
1111 1 68 GLU HA 1 71 GLN HB2 1.800 . 4.000 2.562 2.176 2.851 . 0 0 "[ . 1 . 2]" 1
1112 1 68 GLU HA 1 71 GLN QG 1.800 . 5.500 3.490 2.849 4.021 . 0 0 "[ . 1 . 2]" 1
1113 1 66 THR HA 1 68 GLU H 1.800 . 5.500 4.974 4.531 5.290 . 0 0 "[ . 1 . 2]" 1
1114 1 68 GLU H 1 70 ILE QG 1.800 . 6.000 5.241 4.621 5.867 . 0 0 "[ . 1 . 2]" 1
1115 1 68 GLU H 1 71 GLN H 1.800 . 5.500 5.060 4.911 5.255 . 0 0 "[ . 1 . 2]" 1
1116 1 66 THR MG 1 69 GLN H 1.800 . 5.500 3.456 2.867 3.969 . 0 0 "[ . 1 . 2]" 1
1117 1 67 ASP HA 1 69 GLN H 1.800 . 5.500 3.573 3.452 3.726 . 0 0 "[ . 1 . 2]" 1
1118 1 69 GLN QE 1 71 GLN HB2 1.800 . 5.500 4.867 4.489 5.291 . 0 0 "[ . 1 . 2]" 1
1119 1 69 GLN H 1 71 GLN HB3 1.800 . 5.500 5.735 5.695 5.768 0.268 1 0 "[ . 1 . 2]" 1
1120 1 69 GLN H 1 71 GLN HB2 1.800 . 4.000 4.055 3.991 4.121 0.121 6 0 "[ . 1 . 2]" 1
1121 1 69 GLN HA 1 76 TYR HB2 1.800 . 5.500 5.676 5.463 5.969 0.469 9 0 "[ . 1 . 2]" 1
1122 1 4 ALA HA 1 7 ALA H 1.800 . 4.000 3.597 3.288 3.758 . 0 0 "[ . 1 . 2]" 1
1123 1 4 ALA MB 1 7 ALA H 1.800 . 6.000 4.824 4.459 4.990 . 0 0 "[ . 1 . 2]" 1
1124 1 5 ASN HA 1 7 ALA H 1.800 . 5.500 4.673 4.324 4.992 . 0 0 "[ . 1 . 2]" 1
1125 1 5 ASN H 1 7 ALA H 1.800 . 5.500 4.503 4.230 4.718 . 0 0 "[ . 1 . 2]" 1
1126 1 7 ALA H 1 9 VAL HB 1.800 . 5.500 5.431 5.129 5.578 0.078 3 0 "[ . 1 . 2]" 1
1127 1 70 ILE HA 1 73 VAL HB 1.800 . 5.500 3.822 3.135 4.187 . 0 0 "[ . 1 . 2]" 1
1128 1 70 ILE HA 1 73 VAL QG 1.800 . 3.700 2.528 1.869 3.646 . 0 0 "[ . 1 . 2]" 1
1129 1 67 ASP HA 1 70 ILE HB 1.800 . 5.500 3.303 2.685 4.120 . 0 0 "[ . 1 . 2]" 1
1130 1 67 ASP HA 1 70 ILE H 1.800 . 5.500 3.284 3.028 3.499 . 0 0 "[ . 1 . 2]" 1
1131 1 67 ASP HB2 1 70 ILE H 1.800 . 5.500 5.410 5.085 5.847 0.347 17 0 "[ . 1 . 2]" 1
1132 1 68 GLU HA 1 70 ILE H 1.800 . 5.500 4.378 4.162 4.695 . 0 0 "[ . 1 . 2]" 1
1133 1 71 GLN HA 1 73 VAL QG 1.800 . 6.500 4.407 3.894 5.626 . 0 0 "[ . 1 . 2]" 1
1134 1 71 GLN HA 1 74 ALA MB 1.800 . 4.500 2.925 2.447 3.384 . 0 0 "[ . 1 . 2]" 1
1135 1 68 GLU HA 1 71 GLN QE 1.800 . 5.500 3.469 2.974 3.989 . 0 0 "[ . 1 . 2]" 1
1136 1 68 GLU QB 1 71 GLN QE 1.800 . 5.500 4.958 4.736 5.129 . 0 0 "[ . 1 . 2]" 1
1137 1 67 ASP HA 1 71 GLN H 1.800 . 5.500 4.717 4.544 4.971 . 0 0 "[ . 1 . 2]" 1
1138 1 68 GLU HA 1 71 GLN H 1.800 . 4.000 3.664 3.394 3.843 . 0 0 "[ . 1 . 2]" 1
1139 1 69 GLN H 1 71 GLN H 1.800 . 5.500 3.154 3.020 3.340 . 0 0 "[ . 1 . 2]" 1
1140 1 69 GLN HA 1 72 ASP HA 1.800 . 5.500 4.579 4.053 5.225 . 0 0 "[ . 1 . 2]" 1
1141 1 72 ASP HA 1 75 ALA MB 1.800 . 3.200 2.719 2.412 3.157 . 0 0 "[ . 1 . 2]" 1
1142 1 68 GLU QB 1 72 ASP H 1.800 . 5.500 4.428 3.880 4.901 . 0 0 "[ . 1 . 2]" 1
1143 1 69 GLN HA 1 72 ASP H 1.800 . 5.500 2.962 2.457 3.479 . 0 0 "[ . 1 . 2]" 1
1144 1 70 ILE HA 1 72 ASP H 1.800 . 5.500 5.417 5.203 5.535 0.035 15 0 "[ . 1 . 2]" 1
1145 1 70 ILE H 1 72 ASP H 1.800 . 5.500 4.394 4.134 4.624 . 0 0 "[ . 1 . 2]" 1
1146 1 72 ASP H 1 74 ALA H 1.800 . 5.500 4.177 3.984 4.330 . 0 0 "[ . 1 . 2]" 1
1147 1 72 ASP H 1 75 ALA MB 1.800 . 4.500 4.655 4.608 4.724 0.224 14 0 "[ . 1 . 2]" 1
1148 1 72 ASP H 1 75 ALA H 1.800 . 5.500 4.965 4.798 5.036 . 0 0 "[ . 1 . 2]" 1
1149 1 73 VAL HA 1 76 TYR HA 1.800 . 5.500 4.428 4.175 4.866 . 0 0 "[ . 1 . 2]" 1
1150 1 73 VAL HA 1 76 TYR HB3 1.800 . 4.000 1.928 1.800 2.291 0.000 9 0 "[ . 1 . 2]" 1
1151 1 73 VAL HA 1 76 TYR HB2 1.800 . 4.000 2.168 1.777 2.542 0.023 4 0 "[ . 1 . 2]" 1
1152 1 69 GLN HA 1 73 VAL H 1.800 . 5.500 2.370 1.876 3.022 . 0 0 "[ . 1 . 2]" 1
1153 1 70 ILE HA 1 73 VAL H 1.800 . 5.500 4.364 3.913 4.725 . 0 0 "[ . 1 . 2]" 1
1154 1 70 ILE MD 1 73 VAL H 1.800 . 6.000 5.477 4.798 6.253 0.253 20 0 "[ . 1 . 2]" 1
1155 1 70 ILE MG 1 73 VAL H 1.800 . 6.000 5.617 5.096 6.069 0.069 17 0 "[ . 1 . 2]" 1
1156 1 71 GLN HA 1 73 VAL H 1.800 . 5.500 4.614 4.286 5.135 . 0 0 "[ . 1 . 2]" 1
1157 1 71 GLN H 1 73 VAL H 1.800 . 5.500 3.581 3.323 3.920 . 0 0 "[ . 1 . 2]" 1
1158 1 73 VAL H 1 75 ALA H 1.800 . 5.500 4.671 4.327 5.217 . 0 0 "[ . 1 . 2]" 1
1159 1 73 VAL H 1 76 TYR H 1.800 . 5.500 4.356 4.178 4.619 . 0 0 "[ . 1 . 2]" 1
1160 1 74 ALA HA 1 76 TYR HB3 1.800 . 5.500 4.220 4.049 4.506 . 0 0 "[ . 1 . 2]" 1
1161 1 74 ALA HA 1 76 TYR HB2 1.800 . 5.500 5.551 5.314 5.618 0.118 10 0 "[ . 1 . 2]" 1
1162 1 74 ALA HA 1 77 VAL HB 1.800 . 4.000 3.754 3.190 4.219 0.219 17 0 "[ . 1 . 2]" 1
1163 1 70 ILE HA 1 74 ALA H 1.800 . 5.500 4.499 3.948 5.062 . 0 0 "[ . 1 . 2]" 1
1164 1 71 GLN HA 1 74 ALA H 1.800 . 5.500 3.668 3.508 3.861 . 0 0 "[ . 1 . 2]" 1
1165 1 72 ASP QB 1 74 ALA H 1.800 . 5.500 4.514 4.205 4.686 . 0 0 "[ . 1 . 2]" 1
1166 1 74 ALA H 1 78 LEU MD2 1.800 . 6.000 6.050 5.957 6.102 0.102 11 0 "[ . 1 . 2]" 1
1167 1 75 ALA HA 1 78 LEU QB 1.800 . 4.500 2.734 2.295 3.050 . 0 0 "[ . 1 . 2]" 1
1168 1 75 ALA HA 1 78 LEU MD1 1.800 . 4.500 2.279 1.893 2.637 . 0 0 "[ . 1 . 2]" 1
1169 1 72 ASP HA 1 75 ALA H 1.800 . 5.500 3.729 3.334 4.088 . 0 0 "[ . 1 . 2]" 1
1170 1 75 ALA H 1 78 LEU MD1 1.800 . 6.000 4.109 3.726 4.634 . 0 0 "[ . 1 . 2]" 1
1171 1 76 TYR HA 1 79 ASP HB2 1.800 . 2.700 2.790 2.744 2.881 0.181 10 0 "[ . 1 . 2]" 1
1172 1 73 VAL QG 1 76 TYR HB3 1.800 . 4.500 2.921 2.373 3.254 . 0 0 "[ . 1 . 2]" 1
1173 1 73 VAL QG 1 76 TYR HB2 1.800 . 6.000 3.628 3.164 3.961 . 0 0 "[ . 1 . 2]" 1
1174 1 73 VAL HA 1 76 TYR QD 1.800 . 5.500 3.196 2.137 3.458 . 0 0 "[ . 1 . 2]" 1
1175 1 73 VAL HA 1 76 TYR QE 1.800 . 5.500 4.912 4.261 5.169 . 0 0 "[ . 1 . 2]" 1
1176 1 76 TYR QE 1 80 GLN HG2 1.800 . 5.500 3.628 2.673 4.057 . 0 0 "[ . 1 . 2]" 1
1177 1 76 TYR QE 1 80 GLN HG3 1.800 . 5.500 2.721 1.606 4.506 0.194 18 0 "[ . 1 . 2]" 1
1178 1 73 VAL HA 1 76 TYR H 1.800 . 5.500 3.407 3.063 3.859 . 0 0 "[ . 1 . 2]" 1
1179 1 76 TYR H 1 79 ASP QB 1.800 . 6.000 4.645 4.358 4.856 . 0 0 "[ . 1 . 2]" 1
1180 1 77 VAL HA 1 80 GLN HB3 1.800 . 5.500 4.545 4.309 4.747 . 0 0 "[ . 1 . 2]" 1
1181 1 77 VAL HA 1 80 GLN HB2 1.800 . 4.000 2.912 2.659 3.050 . 0 0 "[ . 1 . 2]" 1
1182 1 77 VAL HA 1 80 GLN HG2 1.800 . 5.500 3.700 2.344 4.918 . 0 0 "[ . 1 . 2]" 1
1183 1 74 ALA MB 1 77 VAL HB 1.800 . 6.000 4.989 4.386 5.569 . 0 0 "[ . 1 . 2]" 1
1184 1 77 VAL QG 1 80 GLN HB2 1.800 . 6.000 3.777 3.570 3.905 . 0 0 "[ . 1 . 2]" 1
1185 1 73 VAL HA 1 77 VAL H 1.800 . 5.500 4.177 4.072 4.276 . 0 0 "[ . 1 . 2]" 1
1186 1 74 ALA HA 1 77 VAL H 1.800 . 4.000 3.307 3.118 3.534 . 0 0 "[ . 1 . 2]" 1
1187 1 74 ALA MB 1 77 VAL H 1.800 . 4.500 4.472 4.374 4.567 0.067 20 0 "[ . 1 . 2]" 1
1188 1 74 ALA H 1 77 VAL H 1.800 . 5.500 4.646 4.483 4.830 . 0 0 "[ . 1 . 2]" 1
1189 1 77 VAL H 1 79 ASP H 1.800 . 5.500 3.892 3.738 4.028 . 0 0 "[ . 1 . 2]" 1
1190 1 77 VAL H 1 80 GLN HB2 1.800 . 5.500 5.524 5.341 5.630 0.130 17 0 "[ . 1 . 2]" 1
1191 1 78 LEU HA 1 81 ALA MB 1.800 . 4.500 3.065 2.512 3.547 . 0 0 "[ . 1 . 2]" 1
1192 1 74 ALA HA 1 78 LEU H 1.800 . 5.500 4.728 4.447 4.879 . 0 0 "[ . 1 . 2]" 1
1193 1 76 TYR HB2 1 78 LEU H 1.800 . 5.500 5.424 5.257 5.530 0.030 16 0 "[ . 1 . 2]" 1
1194 1 79 ASP HA 1 82 ALA MB 1.800 . 4.500 3.119 2.135 3.785 . 0 0 "[ . 1 . 2]" 1
1195 1 79 ASP HA 1 83 LYS QG 1.800 . 6.000 5.282 4.077 6.179 0.179 10 0 "[ . 1 . 2]" 1
1196 1 75 ALA HA 1 79 ASP H 1.800 . 5.500 4.665 4.322 4.976 . 0 0 "[ . 1 . 2]" 1
1197 1 76 TYR HA 1 79 ASP H 1.800 . 5.500 3.385 3.264 3.488 . 0 0 "[ . 1 . 2]" 1
1198 1 76 TYR QD 1 79 ASP H 1.800 . 5.500 4.862 3.886 5.045 . 0 0 "[ . 1 . 2]" 1
1199 1 5 ASN QB 1 8 LYS QE 1.800 . 4.500 2.927 2.533 3.517 . 0 0 "[ . 1 . 2]" 1
1200 1 5 ASN HA 1 8 LYS H 1.800 . 4.000 3.405 3.056 4.011 0.011 19 0 "[ . 1 . 2]" 1
1201 1 6 GLY HA3 1 8 LYS H 1.800 . 5.500 4.327 4.133 4.742 . 0 0 "[ . 1 . 2]" 1
1202 1 6 GLY HA2 1 8 LYS H 1.800 . 5.500 4.031 3.533 4.488 . 0 0 "[ . 1 . 2]" 1
1203 1 80 GLN HA 1 83 LYS QD 1.800 . 4.500 3.614 2.496 4.365 . 0 0 "[ . 1 . 2]" 1
1204 1 80 GLN HA 1 83 LYS QG 1.800 . 4.500 3.214 1.734 4.545 0.066 9 0 "[ . 1 . 2]" 1
1205 1 76 TYR QE 1 80 GLN HE21 1.800 . 5.500 3.051 2.240 4.398 . 0 0 "[ . 1 . 2]" 1
1206 1 80 GLN HE21 1 83 LYS QD 1.800 . 6.000 4.750 2.874 5.943 . 0 0 "[ . 1 . 2]" 1
1207 1 76 TYR QE 1 80 GLN HE22 1.800 . 5.500 3.086 2.454 4.239 . 0 0 "[ . 1 . 2]" 1
1208 1 80 GLN HE22 1 83 LYS QD 1.800 . 6.000 5.134 3.514 6.135 0.135 10 0 "[ . 1 . 2]" 1
1209 1 76 TYR HA 1 80 GLN H 1.800 . 5.500 4.121 3.845 4.327 . 0 0 "[ . 1 . 2]" 1
1210 1 77 VAL HA 1 80 GLN H 1.800 . 5.500 3.294 3.038 3.527 . 0 0 "[ . 1 . 2]" 1
1211 1 78 LEU HA 1 80 GLN H 1.800 . 5.500 4.586 4.444 4.892 . 0 0 "[ . 1 . 2]" 1
1212 1 80 GLN H 1 83 LYS QD 1.800 . 6.000 5.005 3.953 5.782 . 0 0 "[ . 1 . 2]" 1
1213 1 80 GLN H 1 85 TRP HA 1.800 . 5.500 5.250 4.654 5.623 0.123 12 0 "[ . 1 . 2]" 1
1214 1 80 GLN H 1 85 TRP HH2 1.800 . 5.500 4.896 4.667 5.237 . 0 0 "[ . 1 . 2]" 1
1215 1 80 GLN H 1 85 TRP HZ2 1.800 . 5.500 4.596 4.211 4.908 . 0 0 "[ . 1 . 2]" 1
1216 1 80 GLN H 1 85 TRP HZ3 1.800 . 5.500 5.503 5.267 5.632 0.132 7 0 "[ . 1 . 2]" 1
1217 1 77 VAL HA 1 81 ALA H 1.800 . 5.500 3.604 3.176 3.919 . 0 0 "[ . 1 . 2]" 1
1218 1 78 LEU HA 1 81 ALA H 1.800 . 4.000 3.882 3.678 4.059 0.059 14 0 "[ . 1 . 2]" 1
1219 1 78 LEU QB 1 81 ALA H 1.800 . 6.000 5.362 5.189 5.511 . 0 0 "[ . 1 . 2]" 1
1220 1 78 LEU MD2 1 81 ALA H 1.800 . 6.500 4.862 4.571 5.012 . 0 0 "[ . 1 . 2]" 1
1221 1 78 LEU H 1 81 ALA H 1.800 . 5.500 4.806 4.420 4.997 . 0 0 "[ . 1 . 2]" 1
1222 1 79 ASP HA 1 81 ALA H 1.800 . 5.500 4.606 4.374 4.774 . 0 0 "[ . 1 . 2]" 1
1223 1 79 ASP HB2 1 81 ALA H 1.800 . 5.500 5.542 5.417 5.625 0.125 17 0 "[ . 1 . 2]" 1
1224 1 79 ASP HB3 1 81 ALA H 1.800 . 5.500 4.952 4.770 5.094 . 0 0 "[ . 1 . 2]" 1
1225 1 81 ALA H 1 83 LYS H 1.800 . 5.500 4.111 3.767 4.441 . 0 0 "[ . 1 . 2]" 1
1226 1 81 ALA H 1 85 TRP HA 1.800 . 5.500 4.681 3.877 5.647 0.147 12 0 "[ . 1 . 2]" 1
1227 1 81 ALA H 1 85 TRP HD1 1.800 . 5.500 4.305 3.876 4.623 . 0 0 "[ . 1 . 2]" 1
1228 1 81 ALA H 1 85 TRP HZ2 1.800 . 5.500 4.053 3.777 4.345 . 0 0 "[ . 1 . 2]" 1
1229 1 78 LEU HA 1 82 ALA H 1.800 . 5.500 4.333 3.980 4.826 . 0 0 "[ . 1 . 2]" 1
1230 1 79 ASP HA 1 82 ALA H 1.800 . 4.000 3.829 3.529 4.036 0.036 8 0 "[ . 1 . 2]" 1
1231 1 80 GLN HB2 1 82 ALA H 1.800 . 5.500 4.851 4.408 5.362 . 0 0 "[ . 1 . 2]" 1
1232 1 82 ALA H 1 84 GLY H 1.800 . 5.500 4.629 3.565 5.081 . 0 0 "[ . 1 . 2]" 1
1233 1 80 GLN HA 1 83 LYS H 1.800 . 5.500 3.680 2.933 4.400 . 0 0 "[ . 1 . 2]" 1
1234 1 81 ALA MB 1 83 LYS H 1.800 . 6.000 4.255 4.057 4.484 . 0 0 "[ . 1 . 2]" 1
1235 1 81 ALA HA 1 84 GLY H 1.800 . 5.500 4.212 3.597 5.526 0.026 10 0 "[ . 1 . 2]" 1
1236 1 82 ALA MB 1 84 GLY H 1.800 . 6.000 4.925 3.573 5.366 . 0 0 "[ . 1 . 2]" 1
1237 1 80 GLN HA 1 85 TRP HA 1.800 . 4.000 3.367 2.735 3.857 . 0 0 "[ . 1 . 2]" 1
1238 1 80 GLN HB3 1 85 TRP HA 1.800 . 5.500 2.094 1.841 2.389 . 0 0 "[ . 1 . 2]" 1
1239 1 80 GLN HB2 1 85 TRP HA 1.800 . 4.000 3.372 2.860 3.868 . 0 0 "[ . 1 . 2]" 1
1240 1 80 GLN HG3 1 85 TRP HA 1.800 . 5.500 4.585 3.603 4.909 . 0 0 "[ . 1 . 2]" 1
1241 1 80 GLN HG2 1 85 TRP HA 1.800 . 5.500 4.842 3.303 5.146 . 0 0 "[ . 1 . 2]" 1
1242 1 80 GLN HB3 1 85 TRP HD1 1.800 . 5.500 4.813 4.028 5.152 . 0 0 "[ . 1 . 2]" 1
1243 1 80 GLN HB2 1 85 TRP HD1 1.800 . 5.500 4.510 4.160 4.711 . 0 0 "[ . 1 . 2]" 1
1244 1 81 ALA MB 1 85 TRP HD1 1.800 . 6.000 3.003 1.991 3.847 . 0 0 "[ . 1 . 2]" 1
1245 1 80 GLN HB3 1 85 TRP HE1 1.800 . 5.500 4.781 3.910 5.164 . 0 0 "[ . 1 . 2]" 1
1246 1 80 GLN HB2 1 85 TRP HE1 1.800 . 5.500 3.620 3.462 3.831 . 0 0 "[ . 1 . 2]" 1
1247 1 80 GLN HG3 1 85 TRP HE1 1.800 . 5.500 5.650 5.479 6.273 0.773 6 2 "[ .+ 1 . - 2]" 1
1248 1 81 ALA HA 1 85 TRP HE1 1.800 . 4.000 3.096 1.861 3.918 . 0 0 "[ . 1 . 2]" 1
1249 1 81 ALA MB 1 85 TRP HE1 1.800 . 5.000 2.131 1.815 2.903 . 0 0 "[ . 1 . 2]" 1
1250 1 81 ALA H 1 85 TRP HE1 1.800 . 5.500 3.359 3.163 3.540 . 0 0 "[ . 1 . 2]" 1
1251 1 82 ALA H 1 85 TRP HE1 1.800 . 5.500 5.446 4.956 5.585 0.085 5 0 "[ . 1 . 2]" 1
1252 1 80 GLN HB3 1 85 TRP HE3 1.800 . 5.500 2.525 2.306 2.910 . 0 0 "[ . 1 . 2]" 1
1253 1 80 GLN HB2 1 85 TRP HE3 1.800 . 5.500 3.484 3.169 3.906 . 0 0 "[ . 1 . 2]" 1
1254 1 80 GLN HG3 1 85 TRP HE3 1.800 . 5.500 3.811 3.098 4.168 . 0 0 "[ . 1 . 2]" 1
1255 1 80 GLN HG2 1 85 TRP HE3 1.800 . 5.500 4.785 2.672 5.141 . 0 0 "[ . 1 . 2]" 1
1256 1 80 GLN HB3 1 85 TRP HH2 1.800 . 5.500 4.403 4.201 4.647 . 0 0 "[ . 1 . 2]" 1
1257 1 80 GLN HB2 1 85 TRP HH2 1.800 . 5.500 3.507 3.305 3.885 . 0 0 "[ . 1 . 2]" 1
1258 1 80 GLN HG3 1 85 TRP HH2 1.800 . 5.500 2.889 2.460 4.954 . 0 0 "[ . 1 . 2]" 1
1259 1 80 GLN HG2 1 85 TRP HH2 1.800 . 5.500 4.122 2.731 4.936 . 0 0 "[ . 1 . 2]" 1
1260 1 80 GLN HA 1 85 TRP H 1.800 . 5.500 4.606 2.291 5.484 . 0 0 "[ . 1 . 2]" 1
1261 1 80 GLN HB3 1 85 TRP H 1.800 . 5.500 4.337 2.668 5.108 . 0 0 "[ . 1 . 2]" 1
1262 1 80 GLN HB2 1 85 TRP H 1.800 . 5.500 5.154 3.855 5.491 . 0 0 "[ . 1 . 2]" 1
1263 1 83 LYS HA 1 85 TRP H 1.800 . 5.500 5.427 3.467 5.806 0.306 6 0 "[ . 1 . 2]" 1
1264 1 83 LYS QB 1 85 TRP H 1.800 . 6.000 5.633 4.670 6.182 0.182 7 0 "[ . 1 . 2]" 1
1265 1 80 GLN HB3 1 85 TRP HZ2 1.800 . 5.500 4.606 4.078 4.983 . 0 0 "[ . 1 . 2]" 1
1266 1 80 GLN HB2 1 85 TRP HZ2 1.800 . 5.500 3.129 2.797 3.494 . 0 0 "[ . 1 . 2]" 1
1267 1 80 GLN HG2 1 85 TRP HZ2 1.800 . 5.500 4.811 3.422 5.425 . 0 0 "[ . 1 . 2]" 1
1268 1 81 ALA MB 1 85 TRP HZ2 1.800 . 6.000 3.921 3.585 4.256 . 0 0 "[ . 1 . 2]" 1
1269 1 80 GLN HA 1 85 TRP HZ3 1.800 . 5.500 5.549 5.357 5.753 0.253 12 0 "[ . 1 . 2]" 1
1270 1 80 GLN HB3 1 85 TRP HZ3 1.800 . 5.500 3.449 3.222 3.875 . 0 0 "[ . 1 . 2]" 1
1271 1 80 GLN HB2 1 85 TRP HZ3 1.800 . 5.500 3.658 3.501 3.909 . 0 0 "[ . 1 . 2]" 1
1272 1 80 GLN HG3 1 85 TRP HZ3 1.800 . 5.500 2.722 2.104 4.147 . 0 0 "[ . 1 . 2]" 1
1273 1 80 GLN HG2 1 85 TRP HZ3 1.800 . 5.500 4.119 2.408 4.594 . 0 0 "[ . 1 . 2]" 1
1274 1 83 LYS QG 1 86 ALA HA 1.800 . 6.000 5.961 5.508 6.181 0.181 12 0 "[ . 1 . 2]" 1
1275 1 85 TRP QB 1 87 GLY HA2 1.800 . 5.500 4.801 3.783 6.042 0.542 9 1 "[ . +1 . 2]" 1
1276 1 6 GLY HA2 1 9 VAL QG 1.800 . 4.500 3.049 1.892 3.720 . 0 0 "[ . 1 . 2]" 1
1277 1 6 GLY HA3 1 9 VAL QG 1.800 . 6.000 4.381 3.413 4.961 . 0 0 "[ . 1 . 2]" 1
1278 1 5 ASN HA 1 9 VAL H 1.800 . 5.500 4.605 4.420 5.214 . 0 0 "[ . 1 . 2]" 1
1279 1 6 GLY HA3 1 9 VAL H 1.800 . 5.500 4.472 4.237 4.618 . 0 0 "[ . 1 . 2]" 1
1280 1 6 GLY HA2 1 9 VAL H 1.800 . 5.500 3.297 2.940 3.528 . 0 0 "[ . 1 . 2]" 1
1281 1 7 ALA HA 1 9 VAL H 1.800 . 5.500 4.306 3.956 4.662 . 0 0 "[ . 1 . 2]" 1
1282 1 7 ALA H 1 9 VAL H 1.800 . 5.500 4.333 4.014 4.564 . 0 0 "[ . 1 . 2]" 1
1283 1 10 PHE HA 1 73 VAL QG 1.800 . 4.500 3.079 2.817 3.366 . 0 0 "[ . 1 . 2]" 1
1284 1 10 PHE HB3 1 73 VAL QG 1.800 . 4.500 3.499 3.017 4.417 . 0 0 "[ . 1 . 2]" 1
1285 1 10 PHE HB2 1 73 VAL QG 1.800 . 4.500 2.300 1.843 3.157 . 0 0 "[ . 1 . 2]" 1
1286 1 10 PHE QD 1 18 HIS QB 1.800 . 6.000 3.944 3.616 4.325 . 0 0 "[ . 1 . 2]" 1
1287 1 10 PHE QD 1 18 HIS HD2 1.800 . 6.000 5.469 4.274 6.065 0.065 7 0 "[ . 1 . 2]" 1
1288 1 10 PHE QD 1 31 LEU QD 1.800 . 5.000 3.021 2.516 3.518 . 0 0 "[ . 1 . 2]" 1
1289 1 10 PHE QD 1 73 VAL HA 1.800 . 6.000 5.289 4.923 5.788 . 0 0 "[ . 1 . 2]" 1
1290 1 10 PHE QD 1 73 VAL QG 1.800 . 4.200 3.143 2.687 3.758 . 0 0 "[ . 1 . 2]" 1
1291 1 10 PHE QD 1 76 TYR QD 1.800 . 6.500 3.484 3.152 4.337 . 0 0 "[ . 1 . 2]" 1
1292 1 10 PHE QD 1 76 TYR QE 1.800 . 6.000 3.100 2.704 3.693 . 0 0 "[ . 1 . 2]" 1
1293 1 10 PHE QD 1 77 VAL HB 1.800 . 6.000 5.209 3.731 6.074 0.074 4 0 "[ . 1 . 2]" 1
1294 1 10 PHE QD 1 77 VAL QG 1.800 . 5.000 3.580 2.759 4.588 . 0 0 "[ . 1 . 2]" 1
1295 1 10 PHE QD 1 85 TRP HH2 1.800 . 6.000 3.179 2.052 3.845 . 0 0 "[ . 1 . 2]" 1
1296 1 10 PHE QD 1 85 TRP HZ3 1.800 . 6.000 3.667 2.882 4.170 . 0 0 "[ . 1 . 2]" 1
1297 1 10 PHE QE 1 18 HIS QB 1.800 . 4.000 2.265 1.947 2.723 . 0 0 "[ . 1 . 2]" 1
1298 1 10 PHE QE 1 18 HIS HD2 1.800 . 5.500 4.543 3.166 5.448 . 0 0 "[ . 1 . 2]" 1
1299 1 10 PHE QE 1 19 MET HA 1.800 . 5.500 2.419 1.825 3.677 . 0 0 "[ . 1 . 2]" 1
1300 1 10 PHE QE 1 21 GLY HA2 1.800 . 5.500 3.649 3.128 4.176 . 0 0 "[ . 1 . 2]" 1
1301 1 10 PHE QE 1 31 LEU QD 1.800 . 4.500 1.967 1.748 2.356 0.052 13 0 "[ . 1 . 2]" 1
1302 1 10 PHE QE 1 31 LEU HG 1.800 . 5.500 3.215 2.209 4.309 . 0 0 "[ . 1 . 2]" 1
1303 1 10 PHE QE 1 76 TYR QE 1.800 . 5.500 4.050 3.552 4.987 . 0 0 "[ . 1 . 2]" 1
1304 1 10 PHE QE 1 85 TRP HH2 1.800 . 5.500 3.673 2.782 4.199 . 0 0 "[ . 1 . 2]" 1
1305 1 10 PHE QE 1 85 TRP HZ3 1.800 . 5.500 3.754 2.899 4.210 . 0 0 "[ . 1 . 2]" 1
1306 1 10 PHE H 1 73 VAL HA 1.800 . 5.500 4.376 3.952 5.064 . 0 0 "[ . 1 . 2]" 1
1307 1 10 PHE H 1 73 VAL QG 1.800 . 3.200 2.588 2.102 3.207 0.007 17 0 "[ . 1 . 2]" 1
1308 1 10 PHE H 1 76 TYR QD 1.800 . 5.500 4.564 2.648 5.157 . 0 0 "[ . 1 . 2]" 1
1309 1 10 PHE H 1 76 TYR QE 1.800 . 5.500 4.406 1.869 5.066 . 0 0 "[ . 1 . 2]" 1
1310 1 10 PHE HZ 1 18 HIS QB 1.800 . 5.500 2.321 1.759 3.044 0.041 20 0 "[ . 1 . 2]" 1
1311 1 10 PHE HZ 1 18 HIS H 1.800 . 5.500 4.807 4.277 5.508 0.008 14 0 "[ . 1 . 2]" 1
1312 1 10 PHE HZ 1 19 MET HA 1.800 . 5.500 3.108 2.429 3.832 . 0 0 "[ . 1 . 2]" 1
1313 1 10 PHE HZ 1 31 LEU QD 1.800 . 6.000 3.693 2.834 4.253 . 0 0 "[ . 1 . 2]" 1
1314 1 10 PHE HZ 1 76 TYR QE 1.800 . 6.500 5.017 4.423 6.200 . 0 0 "[ . 1 . 2]" 1
1315 1 13 ASN HA 1 65 LEU MD2 1.800 . 6.000 4.813 3.906 6.728 0.728 3 1 "[ + . 1 . 2]" 1
1316 1 13 ASN HB3 1 65 LEU MD2 1.800 . 6.000 3.012 2.045 4.938 . 0 0 "[ . 1 . 2]" 1
1317 1 13 ASN HB3 1 73 VAL QG 1.800 . 6.000 5.566 5.149 5.812 . 0 0 "[ . 1 . 2]" 1
1318 1 13 ASN HB2 1 65 LEU MD2 1.800 . 6.000 2.835 1.851 4.301 . 0 0 "[ . 1 . 2]" 1
1319 1 13 ASN HB2 1 73 VAL QG 1.800 . 6.000 4.406 4.101 4.740 . 0 0 "[ . 1 . 2]" 1
1320 1 13 ASN HD21 1 65 LEU MD1 1.800 . 6.000 3.704 2.291 5.354 . 0 0 "[ . 1 . 2]" 1
1321 1 13 ASN HD21 1 65 LEU MD2 1.800 . 6.000 3.426 1.856 4.966 . 0 0 "[ . 1 . 2]" 1
1322 1 13 ASN HD22 1 65 LEU MD1 1.800 . 6.000 4.273 2.528 5.518 . 0 0 "[ . 1 . 2]" 1
1323 1 13 ASN HD22 1 65 LEU MD2 1.800 . 6.000 3.697 2.281 5.506 . 0 0 "[ . 1 . 2]" 1
1324 1 17 CYS HA 1 24 VAL HB 1.800 . 5.500 3.726 2.008 4.825 . 0 0 "[ . 1 . 2]" 1
1325 1 17 CYS HA 1 24 VAL QG 1.800 . 3.200 1.923 1.672 2.769 0.128 3 0 "[ . 1 . 2]" 1
1326 1 18 HIS HA 1 31 LEU QD 1.800 . 6.000 3.997 3.061 4.823 . 0 0 "[ . 1 . 2]" 1
1327 1 18 HIS QB 1 31 LEU QD 1.800 . 4.500 2.572 1.746 3.475 0.054 3 0 "[ . 1 . 2]" 1
1328 1 18 HIS QB 1 31 LEU HG 1.800 . 5.500 3.053 1.862 4.472 . 0 0 "[ . 1 . 2]" 1
1329 1 10 PHE QD 1 18 HIS HD1 1.800 . 6.000 6.114 6.033 6.232 0.232 18 0 "[ . 1 . 2]" 1
1330 1 10 PHE QE 1 18 HIS HD1 1.800 . 5.500 4.071 3.884 4.429 . 0 0 "[ . 1 . 2]" 1
1331 1 10 PHE HZ 1 18 HIS HD1 1.800 . 5.500 4.871 4.254 5.495 . 0 0 "[ . 1 . 2]" 1
1332 1 18 HIS HD1 1 24 VAL H 1.800 . 5.500 5.237 4.528 5.561 0.061 3 0 "[ . 1 . 2]" 1
1333 1 18 HIS HD1 1 31 LEU QD 1.800 . 4.500 2.061 1.568 2.983 0.232 13 0 "[ . 1 . 2]" 1
1334 1 18 HIS HD1 1 31 LEU HG 1.800 . 4.000 2.491 1.798 4.058 0.058 2 0 "[ . 1 . 2]" 1
1335 1 18 HIS HD2 1 31 LEU QD 1.800 . 4.500 3.764 2.979 4.151 . 0 0 "[ . 1 . 2]" 1
1336 1 18 HIS HE1 1 31 LEU QD 1.800 . 4.500 2.056 1.784 2.498 0.016 12 0 "[ . 1 . 2]" 1
1337 1 10 PHE HZ 1 20 GLY H 1.800 . 5.500 2.978 1.909 4.041 . 0 0 "[ . 1 . 2]" 1
1338 1 20 GLY H 1 85 TRP HE3 1.800 . 5.500 4.611 3.807 5.529 0.029 19 0 "[ . 1 . 2]" 1
1339 1 21 GLY HA3 1 31 LEU QD 1.800 . 6.000 4.127 3.200 4.717 . 0 0 "[ . 1 . 2]" 1
1340 1 21 GLY HA2 1 31 LEU QD 1.800 . 6.000 3.052 1.804 3.887 . 0 0 "[ . 1 . 2]" 1
1341 1 21 GLY H 1 31 LEU QB 1.800 . 5.500 3.826 3.218 4.349 . 0 0 "[ . 1 . 2]" 1
1342 1 21 GLY H 1 31 LEU QD 1.800 . 6.000 4.161 2.984 5.259 . 0 0 "[ . 1 . 2]" 1
1343 1 21 GLY H 1 31 LEU HG 1.800 . 5.500 4.892 4.058 5.647 0.147 15 0 "[ . 1 . 2]" 1
1344 1 21 GLY H 1 85 TRP QB 1.800 . 5.500 4.012 3.651 4.135 . 0 0 "[ . 1 . 2]" 1
1345 1 22 GLY HA2 1 30 THR MG 1.800 . 6.000 2.312 1.724 4.147 0.076 8 0 "[ . 1 . 2]" 1
1346 1 10 PHE QE 1 22 GLY H 1.800 . 5.500 4.452 4.013 5.125 . 0 0 "[ . 1 . 2]" 1
1347 1 22 GLY H 1 30 THR MG 1.800 . 6.000 3.856 2.876 5.994 . 0 0 "[ . 1 . 2]" 1
1348 1 22 GLY H 1 31 LEU QD 1.800 . 6.000 3.942 2.445 4.998 . 0 0 "[ . 1 . 2]" 1
1349 1 23 ASN HA 1 30 THR MG 1.800 . 6.000 4.603 3.775 6.154 0.154 17 0 "[ . 1 . 2]" 1
1350 1 23 ASN HB2 1 29 LYS HB3 1.800 . 5.500 4.530 3.801 5.784 0.284 12 0 "[ . 1 . 2]" 1
1351 1 23 ASN HB2 1 29 LYS HB2 1.800 . 5.500 4.961 4.231 5.533 0.033 7 0 "[ . 1 . 2]" 1
1352 1 23 ASN H 1 30 THR H 1.800 . 5.500 5.134 4.412 5.494 . 0 0 "[ . 1 . 2]" 1
1353 1 17 CYS HA 1 24 VAL H 1.800 . 5.500 3.690 3.138 4.450 . 0 0 "[ . 1 . 2]" 1
1354 1 17 CYS HB3 1 24 VAL H 1.800 . 5.500 3.747 3.300 4.390 . 0 0 "[ . 1 . 2]" 1
1355 1 17 CYS HB2 1 24 VAL H 1.800 . 5.500 5.186 4.771 5.518 0.018 8 0 "[ . 1 . 2]" 1
1356 1 23 ASN HB2 1 29 LYS H 1.800 . 5.500 4.894 3.729 5.576 0.076 17 0 "[ . 1 . 2]" 1
1357 1 23 ASN HB3 1 29 LYS H 1.800 . 5.500 4.803 3.637 5.293 . 0 0 "[ . 1 . 2]" 1
1358 1 23 ASN HB2 1 30 THR HA 1.800 . 4.000 2.235 1.776 4.008 0.024 17 0 "[ . 1 . 2]" 1
1359 1 23 ASN HB3 1 30 THR HA 1.800 . 4.000 3.655 2.486 4.035 0.035 2 0 "[ . 1 . 2]" 1
1360 1 23 ASN HB2 1 30 THR H 1.800 . 5.500 4.429 3.554 5.699 0.199 12 0 "[ . 1 . 2]" 1
1361 1 22 GLY HA3 1 31 LEU H 1.800 . 5.500 5.233 4.733 5.550 0.050 3 0 "[ . 1 . 2]" 1
1362 1 22 GLY HA2 1 31 LEU H 1.800 . 5.500 3.842 3.088 4.436 . 0 0 "[ . 1 . 2]" 1
1363 1 22 GLY H 1 31 LEU H 1.800 . 5.500 4.107 3.507 4.653 . 0 0 "[ . 1 . 2]" 1
1364 1 23 ASN HA 1 31 LEU H 1.800 . 5.500 5.235 4.497 5.571 0.071 14 0 "[ . 1 . 2]" 1
1365 1 23 ASN HB2 1 31 LEU H 1.800 . 5.500 4.355 3.438 6.114 0.614 12 1 "[ . 1 + . 2]" 1
1366 1 32 LYS HA 1 81 ALA MB 1.800 . 4.500 2.872 1.739 4.271 0.061 11 0 "[ . 1 . 2]" 1
1367 1 33 LYS HA 1 81 ALA MB 1.800 . 5.000 3.193 1.817 4.217 . 0 0 "[ . 1 . 2]" 1
1368 1 33 LYS H 1 81 ALA MB 1.800 . 6.000 3.858 2.509 4.538 . 0 0 "[ . 1 . 2]" 1
1369 1 33 LYS H 1 85 TRP HD1 1.800 . 5.500 4.746 2.847 5.472 . 0 0 "[ . 1 . 2]" 1
1370 1 33 LYS H 1 85 TRP HE1 1.800 . 5.500 5.158 3.996 5.581 0.081 7 0 "[ . 1 . 2]" 1
1371 1 29 LYS HB2 1 39 PHE QD 1.800 . 6.000 5.912 4.903 6.413 0.413 18 0 "[ . 1 . 2]" 1
1372 1 29 LYS HA 1 39 PHE QE 1.800 . 6.000 2.452 1.856 3.266 . 0 0 "[ . 1 . 2]" 1
1373 1 29 LYS HB2 1 39 PHE QE 1.800 . 6.000 4.419 3.357 5.087 . 0 0 "[ . 1 . 2]" 1
1374 1 29 LYS HB2 1 39 PHE HZ 1.800 . 5.500 4.692 3.666 5.532 0.032 5 0 "[ . 1 . 2]" 1
1375 1 36 LEU HG 1 42 TYR QB 1.800 . 5.500 3.063 1.771 3.871 0.029 13 0 "[ . 1 . 2]" 1
1376 1 36 LEU QB 1 42 TYR QD 1.800 . 5.000 3.859 3.346 4.429 . 0 0 "[ . 1 . 2]" 1
1377 1 36 LEU MD1 1 42 TYR QD 1.800 . 3.700 1.888 1.718 2.185 0.082 10 0 "[ . 1 . 2]" 1
1378 1 36 LEU HG 1 42 TYR QD 1.800 . 4.500 3.633 2.623 4.384 . 0 0 "[ . 1 . 2]" 1
1379 1 42 TYR QD 1 78 LEU HA 1.800 . 6.000 3.958 2.787 5.028 . 0 0 "[ . 1 . 2]" 1
1380 1 42 TYR QD 1 78 LEU MD1 1.800 . 6.500 4.019 2.700 4.777 . 0 0 "[ . 1 . 2]" 1
1381 1 42 TYR QD 1 78 LEU MD2 1.800 . 5.000 2.917 2.396 3.742 . 0 0 "[ . 1 . 2]" 1
1382 1 33 LYS HA 1 42 TYR QE 1.800 . 4.500 4.197 3.288 4.578 0.078 12 0 "[ . 1 . 2]" 1
1383 1 36 LEU QB 1 42 TYR QE 1.800 . 6.500 5.524 5.016 6.353 . 0 0 "[ . 1 . 2]" 1
1384 1 36 LEU MD1 1 42 TYR QE 1.800 . 3.700 3.214 2.252 3.807 0.107 13 0 "[ . 1 . 2]" 1
1385 1 36 LEU HG 1 42 TYR QE 1.800 . 6.000 5.111 4.269 5.778 . 0 0 "[ . 1 . 2]" 1
1386 1 42 TYR QE 1 78 LEU HA 1.800 . 4.500 2.627 1.818 4.089 . 0 0 "[ . 1 . 2]" 1
1387 1 42 TYR QE 1 78 LEU QB 1.800 . 6.500 3.332 2.671 4.072 . 0 0 "[ . 1 . 2]" 1
1388 1 42 TYR QE 1 78 LEU MD1 1.800 . 5.000 4.017 2.844 4.653 . 0 0 "[ . 1 . 2]" 1
1389 1 42 TYR QE 1 78 LEU MD2 1.800 . 5.000 2.892 1.778 4.040 0.022 1 0 "[ . 1 . 2]" 1
1390 1 36 LEU QB 1 42 TYR H 1.800 . 6.000 3.975 2.495 5.306 . 0 0 "[ . 1 . 2]" 1
1391 1 36 LEU MD2 1 42 TYR H 1.800 . 6.000 5.736 5.102 6.121 0.121 11 0 "[ . 1 . 2]" 1
1392 1 36 LEU MD1 1 42 TYR H 1.800 . 6.000 3.726 2.776 4.430 . 0 0 "[ . 1 . 2]" 1
1393 1 36 LEU HG 1 42 TYR H 1.800 . 5.500 5.106 4.420 5.557 0.057 16 0 "[ . 1 . 2]" 1
1394 1 43 SER HA 1 78 LEU MD1 1.800 . 4.500 2.588 1.904 2.968 . 0 0 "[ . 1 . 2]" 1
1395 1 43 SER HA 1 78 LEU MD2 1.800 . 6.000 3.529 2.276 4.702 . 0 0 "[ . 1 . 2]" 1
1396 1 43 SER H 1 78 LEU MD1 1.800 . 6.000 4.298 3.455 4.882 . 0 0 "[ . 1 . 2]" 1
1397 1 43 SER H 1 78 LEU MD2 1.800 . 4.500 4.098 3.585 4.454 . 0 0 "[ . 1 . 2]" 1
1398 1 44 GLU HA 1 74 ALA MB 1.800 . 4.500 2.428 2.014 3.210 . 0 0 "[ . 1 . 2]" 1
1399 1 44 GLU HA 1 78 LEU MD1 1.800 . 3.200 2.441 1.765 3.036 0.035 20 0 "[ . 1 . 2]" 1
1400 1 44 GLU HA 1 78 LEU MD2 1.800 . 6.000 3.695 3.382 4.051 . 0 0 "[ . 1 . 2]" 1
1401 1 44 GLU HA 1 78 LEU HG 1.800 . 4.000 4.037 3.749 4.113 0.113 17 0 "[ . 1 . 2]" 1
1402 1 44 GLU QB 1 78 LEU MD1 1.800 . 5.000 2.933 2.091 3.560 . 0 0 "[ . 1 . 2]" 1
1403 1 44 GLU QG 1 78 LEU MD1 1.800 . 5.000 2.270 1.809 3.845 . 0 0 "[ . 1 . 2]" 1
1404 1 44 GLU H 1 78 LEU QB 1.800 . 6.000 4.820 4.123 5.322 . 0 0 "[ . 1 . 2]" 1
1405 1 44 GLU H 1 78 LEU MD1 1.800 . 5.000 2.286 1.990 2.743 . 0 0 "[ . 1 . 2]" 1
1406 1 44 GLU H 1 78 LEU MD2 1.800 . 6.000 4.017 3.448 4.670 . 0 0 "[ . 1 . 2]" 1
1407 1 44 GLU H 1 78 LEU HG 1.800 . 5.500 4.850 4.541 5.459 . 0 0 "[ . 1 . 2]" 1
1408 1 45 ASP H 1 78 LEU MD1 1.800 . 6.000 4.598 4.202 4.849 . 0 0 "[ . 1 . 2]" 1
1409 1 31 LEU QD 1 47 ILE HB 1.800 . 6.000 4.721 4.030 5.265 . 0 0 "[ . 1 . 2]" 1
1410 1 47 ILE HB 1 58 MET ME 1.800 . 6.500 6.197 5.691 6.634 0.134 19 0 "[ . 1 . 2]" 1
1411 1 47 ILE HB 1 78 LEU MD1 1.800 . 6.000 5.090 3.860 6.032 0.032 12 0 "[ . 1 . 2]" 1
1412 1 36 LEU MD1 1 47 ILE QG 1.800 . 7.500 5.765 3.261 6.822 . 0 0 "[ . 1 . 2]" 1
1413 1 31 LEU QD 1 47 ILE MG 1.800 . 6.500 4.631 2.891 5.310 . 0 0 "[ . 1 . 2]" 1
1414 1 47 ILE MG 1 78 LEU MD2 1.800 . 6.500 2.541 1.866 3.113 . 0 0 "[ . 1 . 2]" 1
1415 1 41 MET HA 1 47 ILE H . . 5.500 4.554 2.525 5.700 0.200 8 0 "[ . 1 . 2]" 1
1416 1 47 ILE H 1 78 LEU MD1 1.800 . 6.000 4.799 3.853 5.615 . 0 0 "[ . 1 . 2]" 1
1417 1 47 ILE H 1 78 LEU MD2 1.800 . 6.000 4.380 3.730 4.781 . 0 0 "[ . 1 . 2]" 1
1418 1 48 ILE HA 1 70 ILE MG 1.800 . 4.500 3.565 2.494 4.370 . 0 0 "[ . 1 . 2]" 1
1419 1 48 ILE HA 1 74 ALA MB 1.800 . 4.500 2.686 2.127 3.131 . 0 0 "[ . 1 . 2]" 1
1420 1 48 ILE H 1 74 ALA MB 1.800 . 4.500 3.355 3.064 3.707 . 0 0 "[ . 1 . 2]" 1
1421 1 50 GLN HA 1 58 MET ME 1.800 . 6.000 4.638 3.793 5.251 . 0 0 "[ . 1 . 2]" 1
1422 1 50 GLN QG 1 58 MET ME 1.800 . 4.500 3.121 2.757 3.975 . 0 0 "[ . 1 . 2]" 1
1423 1 50 GLN H 1 58 MET ME 1.800 . 6.500 5.181 4.419 5.897 . 0 0 "[ . 1 . 2]" 1
1424 1 51 VAL HA 1 58 MET ME 1.800 . 3.200 1.761 1.716 1.815 0.084 8 0 "[ . 1 . 2]" 1
1425 1 51 VAL MG2 1 58 MET ME 1.800 . 3.700 2.150 1.815 2.386 . 0 0 "[ . 1 . 2]" 1
1426 1 51 VAL MG1 1 58 MET ME 1.800 . 4.500 2.859 2.068 3.417 . 0 0 "[ . 1 . 2]" 1
1427 1 51 VAL H 1 58 MET ME 1.800 . 4.500 3.810 2.908 4.169 . 0 0 "[ . 1 . 2]" 1
1428 1 52 GLN HA 1 70 ILE QG 1.800 . 4.500 4.080 3.151 4.541 0.041 7 0 "[ . 1 . 2]" 1
1429 1 52 GLN HB2 1 70 ILE MG 1.800 . 6.000 3.334 2.539 3.960 . 0 0 "[ . 1 . 2]" 1
1430 1 52 GLN HB3 1 70 ILE QG 1.800 . 6.000 5.726 4.657 6.220 0.220 5 0 "[ . 1 . 2]" 1
1431 1 52 GLN HE21 1 70 ILE QG 1.800 . 6.000 5.278 4.323 6.064 0.064 6 0 "[ . 1 . 2]" 1
1432 1 52 GLN HE21 1 70 ILE MG 1.800 . 6.000 2.903 1.857 4.095 . 0 0 "[ . 1 . 2]" 1
1433 1 52 GLN HE22 1 70 ILE QG 1.800 . 6.000 5.662 4.487 6.065 0.065 9 0 "[ . 1 . 2]" 1
1434 1 52 GLN HE22 1 70 ILE MG 1.800 . 6.000 3.305 2.401 4.232 . 0 0 "[ . 1 . 2]" 1
1435 1 52 GLN QG 1 70 ILE QG 1.800 . 5.000 3.048 1.911 3.679 . 0 0 "[ . 1 . 2]" 1
1436 1 52 GLN QG 1 70 ILE MG 1.800 . 6.500 1.801 1.704 2.099 0.096 14 0 "[ . 1 . 2]" 1
1437 1 52 GLN H 1 58 MET ME 1.800 . 6.000 4.628 4.250 4.818 . 0 0 "[ . 1 . 2]" 1
1438 1 52 GLN H 1 61 PHE HB2 1.800 . 5.500 4.660 3.974 5.416 . 0 0 "[ . 1 . 2]" 1
1439 1 52 GLN H 1 70 ILE MG 1.800 . 6.000 3.487 2.754 4.247 . 0 0 "[ . 1 . 2]" 1
1440 1 53 HIS HA 1 60 ALA MB 1.800 . 3.200 1.754 1.673 1.787 0.127 3 0 "[ . 1 . 2]" 1
1441 1 53 HIS H 1 60 ALA HA 1.800 . 5.500 3.075 2.841 3.327 . 0 0 "[ . 1 . 2]" 1
1442 1 53 HIS H 1 60 ALA MB 1.800 . 6.000 3.896 3.395 4.062 . 0 0 "[ . 1 . 2]" 1
1443 1 54 GLY HA3 1 60 ALA MB 1.800 . 6.000 3.813 2.971 4.224 . 0 0 "[ . 1 . 2]" 1
1444 1 54 GLY H 1 60 ALA HA 1.800 . 4.000 1.947 1.807 2.048 . 0 0 "[ . 1 . 2]" 1
1445 1 54 GLY H 1 60 ALA MB 1.800 . 6.000 3.483 3.136 3.638 . 0 0 "[ . 1 . 2]" 1
1446 1 25 VAL QG 1 57 ALA MB 1.800 . 3.700 2.485 1.901 3.045 . 0 0 "[ . 1 . 2]" 1
1447 1 50 GLN HB2 1 58 MET ME 1.800 . 6.000 4.570 2.408 5.687 . 0 0 "[ . 1 . 2]" 1
1448 1 51 VAL HB 1 58 MET ME 1.800 . 6.000 3.986 3.750 4.200 . 0 0 "[ . 1 . 2]" 1
1449 1 6 GLY HA3 1 73 VAL HB 1.800 . 5.500 4.592 3.868 5.538 0.038 5 0 "[ . 1 . 2]" 1
1450 1 6 GLY HA3 1 76 TYR HB2 1.800 . 5.500 1.999 1.801 2.570 . 0 0 "[ . 1 . 2]" 1
1451 1 6 GLY HA2 1 72 ASP QB 1.800 . 5.500 2.833 2.335 3.424 . 0 0 "[ . 1 . 2]" 1
1452 1 6 GLY HA2 1 73 VAL HB 1.800 . 5.500 3.533 2.896 4.725 . 0 0 "[ . 1 . 2]" 1
1453 1 6 GLY H 1 72 ASP QB 1.800 . 5.500 2.738 1.866 4.220 . 0 0 "[ . 1 . 2]" 1
1454 1 54 GLY HA3 1 60 ALA HA 1.800 . 5.500 3.237 3.148 3.349 . 0 0 "[ . 1 . 2]" 1
1455 1 53 HIS QB 1 60 ALA H 1.800 . 5.500 5.033 4.954 5.130 . 0 0 "[ . 1 . 2]" 1
1456 1 54 GLY HA3 1 60 ALA H 1.800 . 4.000 3.122 2.553 3.521 . 0 0 "[ . 1 . 2]" 1
1457 1 54 GLY HA2 1 60 ALA H 1.800 . 5.500 4.427 3.508 4.874 . 0 0 "[ . 1 . 2]" 1
1458 1 51 VAL MG1 1 61 PHE HB3 1.800 . 6.000 3.437 2.616 4.609 . 0 0 "[ . 1 . 2]" 1
1459 1 51 VAL MG1 1 61 PHE HB2 1.800 . 4.500 2.455 1.845 3.691 . 0 0 "[ . 1 . 2]" 1
1460 1 13 ASN HB3 1 61 PHE QD 1.800 . 6.000 4.511 3.563 5.256 . 0 0 "[ . 1 . 2]" 1
1461 1 13 ASN HB2 1 61 PHE QD 1.800 . 6.000 4.910 3.718 5.621 . 0 0 "[ . 1 . 2]" 1
1462 1 51 VAL HA 1 61 PHE QD 1.800 . 4.500 3.093 2.244 3.894 . 0 0 "[ . 1 . 2]" 1
1463 1 51 VAL MG2 1 61 PHE QD 1.800 . 6.500 3.984 3.274 5.226 . 0 0 "[ . 1 . 2]" 1
1464 1 13 ASN HA 1 61 PHE QE 1.800 . 6.000 4.671 3.711 5.773 . 0 0 "[ . 1 . 2]" 1
1465 1 13 ASN HB3 1 61 PHE QE 1.800 . 4.500 3.021 1.840 4.345 . 0 0 "[ . 1 . 2]" 1
1466 1 13 ASN HB2 1 61 PHE QE 1.800 . 4.500 3.766 2.348 4.562 0.062 6 0 "[ . 1 . 2]" 1
1467 1 14 CYS HA 1 61 PHE QE 1.800 . 6.000 4.440 3.623 5.155 . 0 0 "[ . 1 . 2]" 1
1468 1 51 VAL HA 1 61 PHE QE 1.800 . 6.000 4.141 3.262 4.775 . 0 0 "[ . 1 . 2]" 1
1469 1 51 VAL MG2 1 61 PHE QE 1.800 . 6.500 4.465 3.515 5.275 . 0 0 "[ . 1 . 2]" 1
1470 1 52 GLN HA 1 61 PHE H 1.800 . 5.500 2.817 2.084 3.829 . 0 0 "[ . 1 . 2]" 1
1471 1 53 HIS HD2 1 61 PHE H 1.800 . 5.500 5.212 4.914 5.576 0.076 18 0 "[ . 1 . 2]" 1
1472 1 54 GLY HA3 1 61 PHE H 1.800 . 5.500 5.377 4.925 5.685 0.185 3 0 "[ . 1 . 2]" 1
1473 1 13 ASN HB2 1 61 PHE HZ 1.800 . 5.500 4.202 3.058 5.108 . 0 0 "[ . 1 . 2]" 1
1474 1 14 CYS HA 1 61 PHE HZ 1.800 . 5.500 4.186 3.730 4.499 . 0 0 "[ . 1 . 2]" 1
1475 1 52 GLN HA 1 62 ALA HA 1.800 . 4.000 3.115 2.668 3.832 . 0 0 "[ . 1 . 2]" 1
1476 1 52 GLN HB2 1 62 ALA HA 1.800 . 5.500 4.906 4.407 5.478 . 0 0 "[ . 1 . 2]" 1
1477 1 52 GLN QG 1 62 ALA HA 1.800 . 6.000 2.380 1.789 3.764 0.011 15 0 "[ . 1 . 2]" 1
1478 1 62 ALA HA 1 70 ILE QG 1.800 . 5.000 3.599 2.504 5.036 0.036 12 0 "[ . 1 . 2]" 1
1479 1 62 ALA MB 1 70 ILE QG 1.800 . 6.500 4.813 4.008 5.927 . 0 0 "[ . 1 . 2]" 1
1480 1 62 ALA MB 1 70 ILE MG 1.800 . 6.500 4.640 3.653 5.934 . 0 0 "[ . 1 . 2]" 1
1481 1 52 GLN HA 1 62 ALA H 1.800 . 2.700 2.609 2.070 2.796 0.096 7 0 "[ . 1 . 2]" 1
1482 1 52 GLN QG 1 62 ALA H 1.800 . 6.000 3.541 3.014 3.881 . 0 0 "[ . 1 . 2]" 1
1483 1 62 ALA H 1 70 ILE QG 1.800 . 6.000 4.798 4.176 5.613 . 0 0 "[ . 1 . 2]" 1
1484 1 52 GLN HA 1 63 GLY H 1.800 . 5.500 4.778 3.847 5.154 . 0 0 "[ . 1 . 2]" 1
1485 1 63 GLY H 1 70 ILE QG 1.800 . 6.000 4.432 2.947 5.958 . 0 0 "[ . 1 . 2]" 1
1486 1 8 LYS QD 1 66 THR HB 1.800 . 4.500 4.649 4.519 4.895 0.395 17 0 "[ . 1 . 2]" 1
1487 1 9 VAL QG 1 66 THR H 1.800 . 6.000 2.943 1.889 3.739 . 0 0 "[ . 1 . 2]" 1
1488 1 3 LEU HA 1 69 GLN QE 1.800 . 5.500 5.207 5.008 5.403 . 0 0 "[ . 1 . 2]" 1
1489 1 5 ASN HA 1 69 GLN QE 1.800 . 5.500 4.198 3.838 4.736 . 0 0 "[ . 1 . 2]" 1
1490 1 5 ASN QB 1 69 GLN QE 1.800 . 4.000 1.916 1.728 2.299 0.072 3 0 "[ . 1 . 2]" 1
1491 1 9 VAL QG 1 69 GLN HA 1.800 . 4.000 3.093 1.935 3.854 . 0 0 "[ . 1 . 2]" 1
1492 1 9 VAL QG 1 69 GLN QE 1.800 . 4.000 3.063 2.707 3.573 . 0 0 "[ . 1 . 2]" 1
1493 1 7 ALA HA 1 73 VAL QG 1.800 . 6.000 4.609 4.223 5.539 . 0 0 "[ . 1 . 2]" 1
1494 1 7 ALA H 1 73 VAL HA 1.800 . 5.500 4.896 4.439 5.516 0.016 7 0 "[ . 1 . 2]" 1
1495 1 7 ALA H 1 76 TYR QD 1.800 . 5.500 2.445 2.154 3.604 . 0 0 "[ . 1 . 2]" 1
1496 1 7 ALA H 1 76 TYR QE 1.800 . 5.500 2.535 2.165 3.495 . 0 0 "[ . 1 . 2]" 1
1497 1 9 VAL QG 1 70 ILE HA 1.800 . 6.000 4.043 2.966 5.613 . 0 0 "[ . 1 . 2]" 1
1498 1 48 ILE HA 1 71 GLN HA 1.800 . 5.500 4.975 4.370 5.537 0.037 17 0 "[ . 1 . 2]" 1
1499 1 48 ILE QG 1 71 GLN HA 1.800 . 3.200 2.923 2.357 3.224 0.024 6 0 "[ . 1 . 2]" 1
1500 1 48 ILE MG 1 71 GLN HA 1.800 . 4.500 3.918 3.496 4.246 . 0 0 "[ . 1 . 2]" 1
1501 1 48 ILE MG 1 71 GLN QE 1.800 . 6.000 4.948 4.446 5.336 . 0 0 "[ . 1 . 2]" 1
1502 1 48 ILE QG 1 71 GLN QE 1.800 . 6.000 5.451 5.181 5.611 . 0 0 "[ . 1 . 2]" 1
1503 1 48 ILE MG 1 71 GLN QG 1.800 . 4.500 3.973 3.166 4.399 . 0 0 "[ . 1 . 2]" 1
1504 1 3 LEU QD 1 72 ASP HA 1.800 . 6.000 3.117 1.775 3.968 0.025 11 0 "[ . 1 . 2]" 1
1505 1 6 GLY HA3 1 72 ASP HA 1.800 . 5.500 4.607 4.076 5.031 . 0 0 "[ . 1 . 2]" 1
1506 1 9 VAL QG 1 72 ASP QB 1.800 . 4.500 3.920 3.279 4.269 . 0 0 "[ . 1 . 2]" 1
1507 1 3 LEU QD 1 72 ASP H 1.800 . 6.000 5.244 3.939 5.862 . 0 0 "[ . 1 . 2]" 1
1508 1 6 GLY HA2 1 72 ASP H 1.800 . 5.500 5.296 5.002 5.512 0.012 7 0 "[ . 1 . 2]" 1
1509 1 6 GLY HA3 1 73 VAL HA 1.800 . 4.000 2.669 2.129 3.374 . 0 0 "[ . 1 . 2]" 1
1510 1 6 GLY HA2 1 73 VAL HA 1.800 . 2.700 2.747 2.500 2.991 0.291 18 0 "[ . 1 . 2]" 1
1511 1 9 VAL QG 1 73 VAL HA 1.800 . 6.000 3.991 3.265 4.670 . 0 0 "[ . 1 . 2]" 1
1512 1 9 VAL QG 1 73 VAL HB 1.800 . 4.500 2.603 1.702 3.945 0.098 7 0 "[ . 1 . 2]" 1
1513 1 51 VAL MG2 1 73 VAL QG 1.800 . 5.000 2.891 2.355 3.644 . 0 0 "[ . 1 . 2]" 1
1514 1 51 VAL MG1 1 73 VAL QG 1.800 . 5.000 2.477 1.893 3.345 . 0 0 "[ . 1 . 2]" 1
1515 1 9 VAL QG 1 73 VAL QG 1.800 . 3.700 1.877 1.690 2.232 0.110 19 0 "[ . 1 . 2]" 1
1516 1 6 GLY HA3 1 73 VAL H 1.800 . 5.500 3.978 3.035 4.874 . 0 0 "[ . 1 . 2]" 1
1517 1 9 VAL HB 1 73 VAL H 1.800 . 5.500 4.469 4.092 4.666 . 0 0 "[ . 1 . 2]" 1
1518 1 9 VAL QG 1 73 VAL H 1.800 . 6.000 3.775 2.979 4.446 . 0 0 "[ . 1 . 2]" 1
1519 1 47 ILE HB 1 74 ALA HA 1.800 . 5.500 4.598 4.100 5.050 . 0 0 "[ . 1 . 2]" 1
1520 1 47 ILE MG 1 74 ALA HA 1.800 . 3.200 2.063 1.790 2.544 0.010 2 0 "[ . 1 . 2]" 1
1521 1 51 VAL MG2 1 74 ALA HA 1.800 . 4.500 3.550 2.642 4.121 . 0 0 "[ . 1 . 2]" 1
1522 1 47 ILE MD 1 74 ALA MB 1.800 . 3.700 3.159 2.824 3.727 0.027 7 0 "[ . 1 . 2]" 1
1523 1 48 ILE QG 1 74 ALA MB 1.800 . 3.700 1.761 1.681 1.825 0.119 7 0 "[ . 1 . 2]" 1
1524 1 48 ILE MG 1 74 ALA MB 1.800 . 3.700 3.663 3.395 3.776 0.076 1 0 "[ . 1 . 2]" 1
1525 1 47 ILE MG 1 74 ALA H 1.800 . 4.500 4.278 4.034 4.520 0.020 20 0 "[ . 1 . 2]" 1
1526 1 48 ILE MG 1 74 ALA H 1.800 . 6.000 5.791 5.603 6.009 0.009 15 0 "[ . 1 . 2]" 1
1527 1 3 LEU QD 1 75 ALA MB 1.800 . 3.700 1.959 1.661 3.439 0.139 6 0 "[ . 1 . 2]" 1
1528 1 44 GLU QG 1 75 ALA H 1.800 . 6.000 3.488 2.424 5.826 . 0 0 "[ . 1 . 2]" 1
1529 1 3 LEU QD 1 76 TYR HA 1.800 . 3.200 2.071 1.628 2.381 0.172 18 0 "[ . 1 . 2]" 1
1530 1 3 LEU QD 1 76 TYR HB3 1.800 . 4.500 3.997 3.154 4.450 . 0 0 "[ . 1 . 2]" 1
1531 1 7 ALA HA 1 76 TYR HB3 1.800 . 5.500 5.583 5.455 5.933 0.433 18 0 "[ . 1 . 2]" 1
1532 1 3 LEU QD 1 76 TYR HB2 1.800 . 4.500 3.045 2.077 3.599 . 0 0 "[ . 1 . 2]" 1
1533 1 10 PHE HB3 1 76 TYR QD 1.800 . 5.500 3.714 3.334 4.122 . 0 0 "[ . 1 . 2]" 1
1534 1 3 LEU QD 1 76 TYR QD 1.800 . 6.000 3.336 1.865 3.988 . 0 0 "[ . 1 . 2]" 1
1535 1 6 GLY HA3 1 76 TYR QD 1.800 . 5.500 2.440 1.998 3.039 . 0 0 "[ . 1 . 2]" 1
1536 1 7 ALA HA 1 76 TYR QD 1.800 . 5.500 3.676 3.564 3.798 . 0 0 "[ . 1 . 2]" 1
1537 1 7 ALA MB 1 76 TYR QD 1.800 . 5.500 3.482 2.952 4.487 . 0 0 "[ . 1 . 2]" 1
1538 1 76 TYR QD 1 85 TRP HH2 1.800 . 5.500 2.380 1.853 3.515 . 0 0 "[ . 1 . 2]" 1
1539 1 10 PHE HA 1 76 TYR QD 1.800 . 6.500 5.279 4.655 5.566 . 0 0 "[ . 1 . 2]" 1
1540 1 10 PHE HB2 1 76 TYR QD 1.800 . 5.500 3.055 2.527 3.359 . 0 0 "[ . 1 . 2]" 1
1541 1 3 LEU QB 1 76 TYR QD 1.800 . 6.000 3.275 2.477 5.409 . 0 0 "[ . 1 . 2]" 1
1542 1 10 PHE HB3 1 76 TYR QE 1.800 . 5.500 2.644 1.973 3.124 . 0 0 "[ . 1 . 2]" 1
1543 1 10 PHE HB2 1 76 TYR QE 1.800 . 5.500 3.004 2.455 3.649 . 0 0 "[ . 1 . 2]" 1
1544 1 3 LEU QD 1 76 TYR QE 1.800 . 6.000 4.791 3.368 5.399 . 0 0 "[ . 1 . 2]" 1
1545 1 7 ALA HA 1 76 TYR QE 1.800 . 5.500 2.416 1.805 2.714 . 0 0 "[ . 1 . 2]" 1
1546 1 7 ALA MB 1 76 TYR QE 1.800 . 4.500 1.964 1.698 3.444 0.102 17 0 "[ . 1 . 2]" 1
1547 1 76 TYR QE 1 85 TRP HH2 1.800 . 5.500 2.031 1.795 3.571 0.005 3 0 "[ . 1 . 2]" 1
1548 1 76 TYR QE 1 85 TRP HZ3 1.800 . 5.500 1.968 1.810 2.625 . 0 0 "[ . 1 . 2]" 1
1549 1 3 LEU QD 1 76 TYR H 1.800 . 4.500 3.080 2.690 3.645 . 0 0 "[ . 1 . 2]" 1
1550 1 6 GLY HA3 1 76 TYR H 1.800 . 5.500 4.458 4.303 4.842 . 0 0 "[ . 1 . 2]" 1
1551 1 31 LEU QD 1 77 VAL HB 1.800 . 6.000 3.394 1.845 4.615 . 0 0 "[ . 1 . 2]" 1
1552 1 47 ILE MG 1 77 VAL HB 1.800 . 6.000 3.711 2.810 4.693 . 0 0 "[ . 1 . 2]" 1
1553 1 31 LEU QD 1 77 VAL QG 1.800 . 3.700 1.950 1.516 2.418 0.284 11 0 "[ . 1 . 2]" 1
1554 1 31 LEU HG 1 77 VAL QG 1.800 . 6.000 3.328 1.640 4.145 0.160 4 0 "[ . 1 . 2]" 1
1555 1 47 ILE MD 1 77 VAL QG 1.800 . 6.000 1.733 1.605 1.917 0.195 17 0 "[ . 1 . 2]" 1
1556 1 31 LEU QD 1 77 VAL H 1.800 . 6.000 4.891 4.178 5.631 . 0 0 "[ . 1 . 2]" 1
1557 1 47 ILE MG 1 77 VAL H 1.800 . 4.500 4.257 3.911 4.543 0.043 18 0 "[ . 1 . 2]" 1
1558 1 47 ILE MD 1 78 LEU H 1.800 . 5.500 4.428 3.740 5.079 . 0 0 "[ . 1 . 2]" 1
1559 1 3 LEU QD 1 79 ASP HA 1.800 . 4.500 3.939 3.505 4.415 . 0 0 "[ . 1 . 2]" 1
1560 1 3 LEU QB 1 79 ASP QB 1.800 . 6.500 3.371 2.941 4.404 . 0 0 "[ . 1 . 2]" 1
1561 1 3 LEU QD 1 79 ASP QB 1.800 . 5.000 1.965 1.678 2.350 0.122 9 0 "[ . 1 . 2]" 1
1562 1 3 LEU QD 1 79 ASP H 1.800 . 4.500 3.594 3.274 3.937 . 0 0 "[ . 1 . 2]" 1
1563 1 36 LEU MD1 1 81 ALA MB 1.800 . 5.000 3.062 1.743 3.832 0.057 10 0 "[ . 1 . 2]" 1
1564 1 36 LEU MD1 1 81 ALA H 1.800 . 6.000 5.404 4.259 6.054 0.054 17 0 "[ . 1 . 2]" 1
1565 1 42 TYR QE 1 81 ALA H 1.800 . 6.000 4.627 3.776 6.021 0.021 13 0 "[ . 1 . 2]" 1
1566 1 33 LYS QB 1 82 ALA HA 1.800 . 6.000 4.647 3.135 5.747 . 0 0 "[ . 1 . 2]" 1
1567 1 33 LYS QD 1 82 ALA HA 1.800 . 6.000 3.867 2.051 5.625 . 0 0 "[ . 1 . 2]" 1
1568 1 42 TYR QE 1 82 ALA H 1.800 . 6.000 4.486 3.019 5.987 . 0 0 "[ . 1 . 2]" 1
1569 1 32 LYS QD 1 85 TRP QB 1.800 . 6.000 4.520 3.604 5.515 . 0 0 "[ . 1 . 2]" 1
1570 1 31 LEU QB 1 85 TRP HD1 1.800 . 5.500 4.362 3.524 4.874 . 0 0 "[ . 1 . 2]" 1
1571 1 32 LYS HA 1 85 TRP HD1 1.800 . 2.700 1.957 1.815 2.252 . 0 0 "[ . 1 . 2]" 1
1572 1 21 GLY HA2 1 85 TRP HE1 1.800 . 5.500 4.434 3.904 4.911 . 0 0 "[ . 1 . 2]" 1
1573 1 31 LEU QB 1 85 TRP HE1 1.800 . 4.000 2.708 1.770 3.123 0.030 4 0 "[ . 1 . 2]" 1
1574 1 31 LEU QD 1 85 TRP HE1 1.800 . 6.000 4.121 3.475 4.645 . 0 0 "[ . 1 . 2]" 1
1575 1 31 LEU HG 1 85 TRP HE1 1.800 . 5.500 5.269 4.007 5.613 0.113 10 0 "[ . 1 . 2]" 1
1576 1 32 LYS HA 1 85 TRP HE1 1.800 . 4.000 2.595 1.859 3.983 . 0 0 "[ . 1 . 2]" 1
1577 1 32 LYS QD 1 85 TRP HE1 1.800 . 6.000 5.544 4.456 6.074 0.074 9 0 "[ . 1 . 2]" 1
1578 1 33 LYS QB 1 85 TRP HE1 1.800 . 6.000 5.029 4.118 5.678 . 0 0 "[ . 1 . 2]" 1
1579 1 36 LEU MD1 1 85 TRP HE1 1.800 . 6.000 4.286 3.381 5.585 . 0 0 "[ . 1 . 2]" 1
1580 1 77 VAL HA 1 85 TRP HE1 1.800 . 5.500 4.009 3.259 4.317 . 0 0 "[ . 1 . 2]" 1
1581 1 21 GLY HA3 1 85 TRP HE3 1.800 . 5.500 4.357 3.618 4.703 . 0 0 "[ . 1 . 2]" 1
1582 1 31 LEU QD 1 85 TRP HE3 1.800 . 6.000 5.586 5.010 5.893 . 0 0 "[ . 1 . 2]" 1
1583 1 21 GLY HA2 1 85 TRP HH2 1.800 . 5.500 5.122 4.290 5.545 0.045 19 0 "[ . 1 . 2]" 1
1584 1 31 LEU QB 1 85 TRP HH2 1.800 . 5.500 4.091 3.806 4.393 . 0 0 "[ . 1 . 2]" 1
1585 1 31 LEU QD 1 85 TRP HH2 1.800 . 4.500 3.332 2.904 3.829 . 0 0 "[ . 1 . 2]" 1
1586 1 77 VAL HA 1 85 TRP HH2 1.800 . 4.000 2.674 2.317 3.339 . 0 0 "[ . 1 . 2]" 1
1587 1 77 VAL QG 1 85 TRP HH2 1.800 . 6.000 2.808 2.081 3.530 . 0 0 "[ . 1 . 2]" 1
1588 1 10 PHE QE 1 85 TRP HZ2 1.800 . 5.500 4.420 3.668 5.035 . 0 0 "[ . 1 . 2]" 1
1589 1 21 GLY HA2 1 85 TRP HZ2 1.800 . 5.500 4.440 3.612 4.946 . 0 0 "[ . 1 . 2]" 1
1590 1 31 LEU HA 1 85 TRP HZ2 1.800 . 5.500 4.649 4.423 4.991 . 0 0 "[ . 1 . 2]" 1
1591 1 31 LEU QB 1 85 TRP HZ2 1.800 . 4.000 2.439 2.262 2.690 . 0 0 "[ . 1 . 2]" 1
1592 1 31 LEU QD 1 85 TRP HZ2 1.800 . 4.500 2.743 1.944 3.538 . 0 0 "[ . 1 . 2]" 1
1593 1 31 LEU HG 1 85 TRP HZ2 1.800 . 5.500 4.385 3.213 5.073 . 0 0 "[ . 1 . 2]" 1
1594 1 77 VAL HA 1 85 TRP HZ2 1.800 . 4.000 1.873 1.731 2.214 0.069 6 0 "[ . 1 . 2]" 1
1595 1 77 VAL HB 1 85 TRP HZ2 1.800 . 5.500 3.213 2.101 4.023 . 0 0 "[ . 1 . 2]" 1
1596 1 77 VAL QG 1 85 TRP HZ2 1.800 . 3.700 1.799 1.664 1.939 0.136 3 0 "[ . 1 . 2]" 1
1597 1 21 GLY HA2 1 85 TRP HZ3 1.800 . 5.500 5.328 4.679 5.565 0.065 20 0 "[ . 1 . 2]" 1
1598 1 31 LEU QB 1 85 TRP HZ3 1.800 . 5.500 5.230 5.040 5.357 . 0 0 "[ . 1 . 2]" 1
1599 1 31 LEU QD 1 85 TRP HZ3 1.800 . 6.000 4.780 4.423 4.998 . 0 0 "[ . 1 . 2]" 1
1600 1 77 VAL HA 1 85 TRP HZ3 1.800 . 5.500 4.577 4.182 5.100 . 0 0 "[ . 1 . 2]" 1
1601 1 77 VAL QG 1 85 TRP HZ3 1.800 . 6.000 4.668 4.193 5.125 . 0 0 "[ . 1 . 2]" 1
1602 1 9 VAL QG 1 65 LEU MD2 1.800 . 5.000 2.281 1.581 3.590 0.219 4 0 "[ . 1 . 2]" 1
1603 1 9 VAL H 1 72 ASP QB 1.800 . 6.000 5.402 5.073 5.832 . 0 0 "[ . 1 . 2]" 1
1604 1 9 VAL H 1 73 VAL HA 1.800 . 5.500 5.262 4.814 5.541 0.041 20 0 "[ . 1 . 2]" 1
1605 1 9 VAL H 1 73 VAL QG 1.800 . 6.000 3.859 3.092 4.433 . 0 0 "[ . 1 . 2]" 1
1606 1 13 ASN HB3 2 1 HEC HAB 1.800 . 5.500 4.450 3.473 5.521 0.021 20 0 "[ . 1 . 2]" 1
1607 1 13 ASN HB2 2 1 HEC HAB 1.800 . 5.500 3.501 2.730 4.438 . 0 0 "[ . 1 . 2]" 1
1608 1 14 CYS HB3 2 1 HEC HAB 1.800 . 5.500 3.203 2.873 3.665 . 0 0 "[ . 1 . 2]" 1
1609 1 17 CYS HA 2 1 HEC HAC 1.800 . 5.500 4.471 4.227 5.013 . 0 0 "[ . 1 . 2]" 1
1610 1 17 CYS HB2 2 1 HEC HAC 1.800 . 5.500 3.352 2.564 3.980 . 0 0 "[ . 1 . 2]" 1
1611 1 18 HIS HD2 2 1 HEC HAB 1.800 . 5.500 4.639 3.852 5.585 0.085 6 0 "[ . 1 . 2]" 1
1612 1 25 VAL QG 2 1 HEC HAC 1.800 . 3.700 3.057 1.888 3.768 0.068 4 0 "[ . 1 . 2]" 1
1613 1 31 LEU QD 2 1 HEC HBA1 1.800 . 6.000 4.828 4.270 5.224 . 0 0 "[ . 1 . 2]" 1
1614 1 50 GLN QG 2 1 HEC HAA2 1.800 . 4.000 3.763 3.092 4.121 0.121 15 0 "[ . 1 . 2]" 1
1615 1 51 VAL MG2 2 1 HEC HAB 1.800 . 6.000 4.324 3.032 5.009 . 0 0 "[ . 1 . 2]" 1
1616 1 51 VAL MG1 2 1 HEC HAB 1.800 . 6.000 3.865 2.139 4.907 . 0 0 "[ . 1 . 2]" 1
1617 1 55 LYS QB 2 1 HEC HBD1 1.800 . 5.500 4.290 3.620 5.170 . 0 0 "[ . 1 . 2]" 1
1618 1 58 MET ME 2 1 HEC HAB 1.800 . 6.000 3.797 3.154 4.424 . 0 0 "[ . 1 . 2]" 1
1619 1 58 MET HB2 2 1 HEC HAC 1.800 . 5.500 5.610 5.381 5.711 0.211 20 0 "[ . 1 . 2]" 1
1620 1 59 PRO HG3 2 1 HEC HAC 1.800 . 4.000 3.629 1.996 4.108 0.108 2 0 "[ . 1 . 2]" 1
1621 1 59 PRO HD3 2 1 HEC HAC 1.800 . 5.500 3.083 2.295 3.304 . 0 0 "[ . 1 . 2]" 1
1622 1 59 PRO HG2 2 1 HEC HAC 1.800 . 5.500 4.693 3.242 5.199 . 0 0 "[ . 1 . 2]" 1
1623 1 73 VAL QG 2 1 HEC HAB 1.800 . 6.000 3.719 2.507 4.615 . 0 0 "[ . 1 . 2]" 1
1624 1 14 CYS HA 2 1 HEC HAB 1.800 . 4.000 2.863 2.133 4.475 0.475 20 0 "[ . 1 . 2]" 1
1625 1 26 MET H 2 1 HEC HAD2 1.800 . 5.500 5.220 4.531 5.571 0.071 9 0 "[ . 1 . 2]" 1
1626 1 29 LYS QE 2 1 HEC HBD2 1.800 . 6.500 5.368 3.837 6.269 . 0 0 "[ . 1 . 2]" 1
1627 1 47 ILE H 2 1 HEC HBA2 1.800 . 5.500 5.099 4.568 5.513 0.013 13 0 "[ . 1 . 2]" 1
1628 1 47 ILE HA 2 1 HEC HBA2 1.800 . 4.000 3.558 2.841 4.265 0.265 8 0 "[ . 1 . 2]" 1
1629 1 57 ALA H 2 1 HEC HBD1 1.800 . 5.500 2.898 2.228 3.743 . 0 0 "[ . 1 . 2]" 1
1630 1 58 MET HA 2 1 HEC HBD2 1.800 . 5.000 4.946 4.684 5.169 0.169 11 0 "[ . 1 . 2]" 1
1631 1 58 MET H 2 1 HEC HBD1 1.800 . 5.500 4.975 4.075 5.521 0.021 13 0 "[ . 1 . 2]" 1
1632 1 58 MET H 2 1 HEC HBD2 1.800 . 5.500 3.942 3.442 4.310 . 0 0 "[ . 1 . 2]" 1
1633 1 61 PHE QD 2 1 HEC HAB 1.800 . 6.000 4.270 3.351 5.307 . 0 0 "[ . 1 . 2]" 1
1634 1 61 PHE QE 2 1 HEC HAB 1.800 . 6.000 3.006 1.855 4.306 . 0 0 "[ . 1 . 2]" 1
1635 1 61 PHE HZ 2 1 HEC HAB 1.800 . 4.000 3.537 2.769 4.383 0.383 20 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 168
_Distance_constraint_stats_list.Viol_total 214.639
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0315
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.0639
_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 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.337 0.058 7 0 "[ . 1 . 2]"
1 18 HIS 0.337 0.058 7 0 "[ . 1 . 2]"
1 35 ALA 0.010 0.010 14 0 "[ . 1 . 2]"
1 38 GLN 0.010 0.010 14 0 "[ . 1 . 2]"
1 43 SER 0.513 0.108 10 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 1.021 0.191 3 0 "[ . 1 . 2]"
1 47 ILE 0.576 0.108 10 0 "[ . 1 . 2]"
1 48 ILE 0.346 0.090 15 0 "[ . 1 . 2]"
1 49 TYR 0.035 0.035 20 0 "[ . 1 . 2]"
1 50 GLN 0.986 0.191 3 0 "[ . 1 . 2]"
1 51 VAL 1.167 0.145 6 0 "[ . 1 . 2]"
1 52 GLN 0.346 0.090 15 0 "[ . 1 . 2]"
1 61 PHE 1.104 0.145 6 0 "[ . 1 . 2]"
1 67 ASP 3.151 0.240 13 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 1.444 0.152 20 0 "[ . 1 . 2]"
1 71 GLN 1.707 0.240 13 0 "[ . 1 . 2]"
1 72 ASP 0.024 0.009 2 0 "[ . 1 . 2]"
1 73 VAL 0.197 0.053 14 0 "[ . 1 . 2]"
1 74 ALA 1.366 0.133 16 0 "[ . 1 . 2]"
1 75 ALA 2.117 0.150 19 0 "[ . 1 . 2]"
1 76 TYR 0.098 0.036 20 0 "[ . 1 . 2]"
1 77 VAL 0.605 0.072 16 0 "[ . 1 . 2]"
1 78 LEU 3.483 0.150 19 0 "[ . 1 . 2]"
1 79 ASP 0.074 0.036 20 0 "[ . 1 . 2]"
1 80 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.408 0.072 16 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 6 GLY O 1 10 PHE H 1.700 . 2.300 1.945 1.865 2.114 . 0 0 "[ . 1 . 2]" 2
2 1 6 GLY O 1 10 PHE N 2.400 2.400 3.300 2.802 2.626 2.980 . 0 0 "[ . 1 . 2]" 2
3 1 15 ALA O 1 18 HIS H 1.700 . 2.300 2.292 2.126 2.358 0.058 7 0 "[ . 1 . 2]" 2
4 1 15 ALA O 1 18 HIS N 2.400 2.400 3.300 3.240 3.003 3.303 0.003 2 0 "[ . 1 . 2]" 2
5 1 35 ALA O 1 38 GLN H 1.700 . 2.300 2.067 1.928 2.310 0.010 14 0 "[ . 1 . 2]" 2
6 1 35 ALA O 1 38 GLN N 2.400 2.400 3.300 2.832 2.474 3.024 . 0 0 "[ . 1 . 2]" 2
7 1 43 SER O 1 47 ILE H 1.700 . 2.300 2.264 2.000 2.408 0.108 10 0 "[ . 1 . 2]" 2
8 1 43 SER O 1 47 ILE N 2.400 2.400 3.300 3.089 2.741 3.253 . 0 0 "[ . 1 . 2]" 2
9 1 44 GLU O 1 48 ILE H 1.700 . 2.300 1.950 1.876 2.017 . 0 0 "[ . 1 . 2]" 2
10 1 44 GLU O 1 48 ILE N 2.400 2.400 3.300 2.694 2.564 2.908 . 0 0 "[ . 1 . 2]" 2
11 1 46 ALA O 1 49 TYR H 1.700 . 2.300 2.098 1.972 2.335 0.035 20 0 "[ . 1 . 2]" 2
12 1 46 ALA O 1 49 TYR N 2.400 2.400 3.300 2.885 2.716 3.055 . 0 0 "[ . 1 . 2]" 2
13 1 46 ALA O 1 50 GLN H 1.700 . 2.300 2.307 2.089 2.491 0.191 3 0 "[ . 1 . 2]" 2
14 1 46 ALA O 1 50 GLN N 2.400 2.400 3.300 3.109 2.846 3.338 0.038 3 0 "[ . 1 . 2]" 2
15 1 47 ILE O 1 51 VAL H 1.700 . 2.300 2.224 2.078 2.341 0.041 2 0 "[ . 1 . 2]" 2
16 1 47 ILE O 1 51 VAL N 2.400 2.400 3.300 2.851 2.677 3.143 . 0 0 "[ . 1 . 2]" 2
17 1 48 ILE O 1 52 GLN H 1.700 . 2.300 2.229 1.996 2.390 0.090 15 0 "[ . 1 . 2]" 2
18 1 48 ILE O 1 52 GLN N 2.400 2.400 3.300 3.129 2.913 3.325 0.025 20 0 "[ . 1 . 2]" 2
19 1 51 VAL O 1 61 PHE H 1.700 . 2.300 2.303 2.149 2.445 0.145 6 0 "[ . 1 . 2]" 2
20 1 51 VAL O 1 61 PHE N 2.400 2.400 3.300 2.872 2.559 3.375 0.075 6 0 "[ . 1 . 2]" 2
21 1 67 ASP O 1 70 ILE H 1.700 . 2.300 2.369 2.244 2.452 0.152 20 0 "[ . 1 . 2]" 2
22 1 67 ASP O 1 70 ILE N 2.400 2.400 3.300 3.061 2.905 3.164 . 0 0 "[ . 1 . 2]" 2
23 1 67 ASP O 1 71 GLN H 2.400 2.400 3.000 2.577 2.401 2.740 . 0 0 "[ . 1 . 2]" 2
24 1 67 ASP O 1 71 GLN N 2.400 2.400 3.300 3.361 3.110 3.540 0.240 13 0 "[ . 1 . 2]" 2
25 1 68 GLU O 1 72 ASP H 1.700 . 2.300 2.055 1.981 2.159 . 0 0 "[ . 1 . 2]" 2
26 1 68 GLU O 1 72 ASP N 2.400 2.400 3.300 2.889 2.780 2.985 . 0 0 "[ . 1 . 2]" 2
27 1 69 GLN O 1 73 VAL H 1.700 . 2.300 1.922 1.777 2.045 . 0 0 "[ . 1 . 2]" 2
28 1 69 GLN O 1 73 VAL N 2.400 2.400 3.300 2.676 2.497 2.839 . 0 0 "[ . 1 . 2]" 2
29 1 71 GLN O 1 74 ALA H 1.700 . 2.300 2.053 2.007 2.158 . 0 0 "[ . 1 . 2]" 2
30 1 71 GLN O 1 74 ALA N 2.400 2.400 3.300 2.751 2.568 2.899 . 0 0 "[ . 1 . 2]" 2
31 1 71 GLN O 1 75 ALA H 1.700 . 2.300 2.086 1.955 2.248 . 0 0 "[ . 1 . 2]" 2
32 1 71 GLN O 1 75 ALA N 2.400 2.400 3.300 2.989 2.810 3.198 . 0 0 "[ . 1 . 2]" 2
33 1 72 ASP O 1 76 TYR H 1.700 . 2.300 1.851 1.694 1.966 0.006 18 0 "[ . 1 . 2]" 2
34 1 72 ASP O 1 76 TYR N 2.400 2.400 3.300 2.443 2.391 2.553 0.009 2 0 "[ . 1 . 2]" 2
35 1 73 VAL O 1 77 VAL H 1.700 . 2.300 2.221 2.066 2.353 0.053 14 0 "[ . 1 . 2]" 2
36 1 73 VAL O 1 77 VAL N 2.400 2.400 3.300 3.056 2.871 3.243 . 0 0 "[ . 1 . 2]" 2
37 1 74 ALA O 1 77 VAL H 1.700 . 2.300 2.091 2.044 2.186 . 0 0 "[ . 1 . 2]" 2
38 1 74 ALA O 1 77 VAL N 2.400 2.400 3.300 2.767 2.578 2.863 . 0 0 "[ . 1 . 2]" 2
39 1 74 ALA O 1 78 LEU H 1.700 . 2.300 2.352 2.091 2.433 0.133 16 0 "[ . 1 . 2]" 2
40 1 74 ALA O 1 78 LEU N 2.400 2.400 3.300 3.209 3.002 3.318 0.018 16 0 "[ . 1 . 2]" 2
41 1 75 ALA O 1 78 LEU H 1.700 . 2.300 2.406 2.380 2.450 0.150 19 0 "[ . 1 . 2]" 2
42 1 75 ALA O 1 78 LEU N 2.400 2.400 3.300 3.040 2.908 3.120 . 0 0 "[ . 1 . 2]" 2
43 1 76 TYR O 1 79 ASP H 1.700 . 2.300 2.094 1.922 2.336 0.036 20 0 "[ . 1 . 2]" 2
44 1 76 TYR O 1 79 ASP N 2.400 2.400 3.300 2.958 2.804 3.176 . 0 0 "[ . 1 . 2]" 2
45 1 76 TYR O 1 80 GLN H 1.700 . 2.300 2.016 1.944 2.122 . 0 0 "[ . 1 . 2]" 2
46 1 76 TYR O 1 80 GLN N 2.400 2.400 3.300 2.949 2.901 3.082 . 0 0 "[ . 1 . 2]" 2
47 1 77 VAL O 1 81 ALA H 1.700 . 2.300 2.270 2.038 2.372 0.072 16 0 "[ . 1 . 2]" 2
48 1 77 VAL O 1 81 ALA N 2.400 2.400 3.300 3.173 2.862 3.307 0.007 13 0 "[ . 1 . 2]" 2
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