Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425030 | 2g46 RC | 6997 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2g46
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 110
_Distance_constraint_stats_list.Viol_count 289
_Distance_constraint_stats_list.Viol_total 7384.355
_Distance_constraint_stats_list.Viol_max 4.703
_Distance_constraint_stats_list.Viol_rms 0.5825
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1678
_Distance_constraint_stats_list.Viol_average_violations_only 1.2776
_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 2 PHE 21.692 1.178 19 19 "[**********-** ****+*]"
1 3 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 3.605 0.570 6 2 "[ .+ 1 - . 2]"
1 20 ALA 0.124 0.124 4 0 "[ . 1 . 2]"
1 24 PHE 5.875 0.742 11 3 "[ .* 1+ - . 2]"
1 28 GLU 2.146 0.742 11 1 "[ . 1+ . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 43.909 3.378 15 20 [*************-+*****]
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 26.839 1.901 14 20 [***********-*+******]
1 39 HIS 4.000 0.908 5 4 "[ + 1 *-.* 2]"
1 40 ASN 0.977 0.435 13 0 "[ . 1 . 2]"
1 43 TRP 43.383 1.901 14 20 [*****-*******+******]
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.203 0.203 5 0 "[ . 1 . 2]"
1 56 ASN 4.000 0.908 5 4 "[ + 1 *-.* 2]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 45.310 3.378 15 20 [***********-**+*****]
1 69 ASN 10.170 1.045 16 13 "[** **** -1* * *+* *2]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 0.203 0.203 5 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ILE 3.336 1.093 12 3 "[ * . 1 + . -]"
1 104 SER 74.311 3.956 12 20 [***********+****-***]
1 105 TYR 27.988 2.331 13 17 "[********-1**+ *** **]"
1 109 TYR 206.768 4.703 2 20 [*+**************-***]
1 110 TRP 57.216 3.149 7 19 "[*-*** +*************]"
1 111 LEU 119.122 4.703 2 20 [*+**-***************]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 PHE QD 1 95 ILE MG 6.000 . 6.000 3.077 2.432 3.774 . 0 0 "[ . 1 . 2]" 1
2 1 24 PHE QD 1 101 ILE MD 6.000 . 6.000 3.481 2.957 4.204 . 0 0 "[ . 1 . 2]" 1
3 1 18 VAL QG 1 64 PHE QD 6.000 . 6.000 3.548 2.107 4.446 . 0 0 "[ . 1 . 2]" 1
4 1 43 TRP HZ3 1 47 LEU MD1 6.000 . 6.000 3.666 1.994 4.366 . 0 0 "[ . 1 . 2]" 1
5 1 16 TYR HA 1 16 TYR HE1 6.000 . 6.000 4.641 4.171 5.318 . 0 0 "[ . 1 . 2]" 1
6 1 68 PHE QD 1 69 ASN QB 6.000 . 6.000 5.200 4.594 5.831 . 0 0 "[ . 1 . 2]" 1
7 1 68 PHE QD 1 89 ILE QG 6.000 . 6.000 4.541 3.787 5.336 . 0 0 "[ . 1 . 2]" 1
8 1 29 LEU MD1 1 90 PHE QD 6.000 . 6.000 4.274 1.901 5.034 . 0 0 "[ . 1 . 2]" 1
9 1 36 ILE MG 1 43 TRP HZ3 6.000 . 6.000 3.289 2.752 4.003 . 0 0 "[ . 1 . 2]" 1
10 1 43 TRP HZ3 1 47 LEU HG 6.000 . 6.000 2.884 2.407 4.478 . 0 0 "[ . 1 . 2]" 1
11 1 29 LEU MD1 1 90 PHE HZ 6.000 . 6.000 4.458 2.170 5.251 . 0 0 "[ . 1 . 2]" 1
12 1 29 LEU HB2 1 90 PHE HZ 6.000 . 6.000 3.530 2.523 4.173 . 0 0 "[ . 1 . 2]" 1
13 1 78 HIS HD2 1 87 MET ME 6.000 . 6.000 3.474 2.098 4.417 . 0 0 "[ . 1 . 2]" 1
14 1 103 ILE MD 1 105 TYR QD 6.000 . 6.000 3.075 2.433 4.156 . 0 0 "[ . 1 . 2]" 1
15 1 29 LEU HA 1 90 PHE QD 6.000 . 6.000 3.136 2.173 3.553 . 0 0 "[ . 1 . 2]" 1
16 1 43 TRP HE3 1 47 LEU MD1 6.000 . 6.000 4.582 2.189 5.277 . 0 0 "[ . 1 . 2]" 1
17 1 64 PHE QD 1 67 ILE HG13 6.000 . 6.000 3.687 2.983 4.252 . 0 0 "[ . 1 . 2]" 1
18 1 43 TRP HZ3 1 51 LEU QD 6.000 . 6.000 4.311 3.863 4.541 . 0 0 "[ . 1 . 2]" 1
19 1 24 PHE QD 1 28 GLU QB 6.000 . 6.000 2.955 1.931 3.590 . 0 0 "[ . 1 . 2]" 1
20 1 64 PHE QD 1 67 ILE MG 6.000 . 6.000 2.989 2.034 4.297 . 0 0 "[ . 1 . 2]" 1
21 1 64 PHE QD 1 67 ILE MD 6.000 . 6.000 2.815 1.997 3.658 . 0 0 "[ . 1 . 2]" 1
22 1 2 PHE QD 1 3 ASN HA 6.000 . 6.000 3.782 3.168 4.919 . 0 0 "[ . 1 . 2]" 1
23 1 2 PHE HA 1 2 PHE QE 6.000 . 6.000 5.552 4.398 5.633 . 0 0 "[ . 1 . 2]" 1
24 1 24 PHE QD 1 95 ILE HB 6.000 . 6.000 2.732 2.139 3.315 . 0 0 "[ . 1 . 2]" 1
25 1 2 PHE QD 1 7 ILE HB 6.000 . 6.000 5.087 1.950 5.625 . 0 0 "[ . 1 . 2]" 1
26 1 65 GLY HA3 1 68 PHE QD 6.000 . 6.000 3.651 3.309 4.563 . 0 0 "[ . 1 . 2]" 1
27 1 65 GLY HA2 1 68 PHE QD 6.000 . 6.000 2.241 1.892 3.753 . 0 0 "[ . 1 . 2]" 1
28 1 67 ILE HB 1 68 PHE QD 6.000 . 6.000 5.414 4.100 5.923 . 0 0 "[ . 1 . 2]" 1
29 1 68 PHE QD 1 101 ILE MG 6.000 . 6.000 3.540 3.013 4.027 . 0 0 "[ . 1 . 2]" 1
30 1 68 PHE QD 1 89 ILE MD 6.000 . 6.000 4.334 3.084 5.003 . 0 0 "[ . 1 . 2]" 1
31 1 88 ARG HB3 1 90 PHE QD 6.000 . 6.000 3.616 2.559 4.475 . 0 0 "[ . 1 . 2]" 1
32 1 50 TYR HD2 1 60 MET ME 6.000 . 6.000 3.210 2.535 3.970 . 0 0 "[ . 1 . 2]" 1
33 1 50 TYR HD2 1 66 ALA MB 6.000 . 6.000 3.636 2.780 4.342 . 0 0 "[ . 1 . 2]" 1
34 1 105 TYR HA 1 105 TYR QE 6.000 . 6.000 4.390 4.146 4.593 . 0 0 "[ . 1 . 2]" 1
35 1 70 HIS HB2 1 105 TYR QE 6.000 . 6.000 2.408 1.940 3.632 . 0 0 "[ . 1 . 2]" 1
36 1 103 ILE MD 1 105 TYR QE 6.000 . 6.000 2.966 1.921 4.395 . 0 0 "[ . 1 . 2]" 1
37 1 43 TRP HE3 1 51 LEU QD 6.000 . 6.000 4.321 3.949 4.596 . 0 0 "[ . 1 . 2]" 1
38 1 6 VAL QG 1 24 PHE QD 6.000 . 6.000 4.015 3.666 4.498 . 0 0 "[ . 1 . 2]" 1
39 1 24 PHE QE 1 30 VAL HA 6.000 . 6.000 3.898 3.227 4.605 . 0 0 "[ . 1 . 2]" 1
40 1 24 PHE QE 1 28 GLU QB 6.000 . 6.000 4.188 3.137 4.959 . 0 0 "[ . 1 . 2]" 1
41 1 20 ALA MB 1 24 PHE QE 6.000 . 6.000 3.265 2.495 3.968 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG HG3 1 24 PHE QE 6.000 . 6.000 4.500 2.354 5.446 . 0 0 "[ . 1 . 2]" 1
43 1 24 PHE QE 1 95 ILE MG 6.000 . 6.000 4.446 3.930 5.381 . 0 0 "[ . 1 . 2]" 1
44 1 24 PHE QE 1 101 ILE MD 6.000 . 6.000 2.965 2.237 3.692 . 0 0 "[ . 1 . 2]" 1
45 1 18 VAL QG 1 24 PHE QE 6.000 . 6.000 5.189 4.839 5.739 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL QG 1 24 PHE QE 6.000 . 6.000 2.215 1.906 2.723 . 0 0 "[ . 1 . 2]" 1
47 1 43 TRP HA 1 43 TRP HH2 6.000 . 6.000 6.370 6.073 6.694 0.694 17 5 "[ . * ** . +- 2]" 1
48 1 43 TRP HH2 1 47 LEU HG 6.000 . 6.000 3.236 2.738 4.905 . 0 0 "[ . 1 . 2]" 1
49 1 43 TRP HH2 1 47 LEU MD1 6.000 . 6.000 3.910 3.528 4.535 . 0 0 "[ . 1 . 2]" 1
50 1 43 TRP HH2 1 47 LEU MD2 6.000 . 6.000 4.056 2.104 4.649 . 0 0 "[ . 1 . 2]" 1
51 1 43 TRP HH2 1 51 LEU QD 6.000 . 6.000 3.283 2.884 3.620 . 0 0 "[ . 1 . 2]" 1
52 1 43 TRP HZ2 1 59 ALA HA 6.000 . 6.000 3.074 2.427 3.619 . 0 0 "[ . 1 . 2]" 1
53 1 37 VAL HA 1 43 TRP HZ2 6.000 . 6.000 4.866 4.272 5.507 . 0 0 "[ . 1 . 2]" 1
54 1 43 TRP HA 1 43 TRP HZ2 6.000 . 6.000 6.409 6.245 6.621 0.621 17 5 "[ .- ** . +* 2]" 1
55 1 43 TRP HZ2 1 51 LEU QD 6.000 . 6.000 2.080 1.769 2.439 . 0 0 "[ . 1 . 2]" 1
56 1 43 TRP HZ2 1 47 LEU MD2 6.000 . 6.000 4.935 2.717 5.521 . 0 0 "[ . 1 . 2]" 1
57 1 37 VAL QG 1 43 TRP HZ2 6.000 . 6.000 5.462 4.938 5.956 . 0 0 "[ . 1 . 2]" 1
58 1 43 TRP HZ2 1 47 LEU MD1 6.000 . 6.000 4.941 3.994 5.612 . 0 0 "[ . 1 . 2]" 1
59 1 39 HIS HD2 1 57 MET ME 6.000 . 6.000 2.771 1.922 3.023 . 0 0 "[ . 1 . 2]" 1
60 1 39 HIS HD2 1 56 ASN QB 6.000 . 6.000 6.002 4.230 6.908 0.908 5 4 "[ + 1 *-.* 2]" 1
61 1 68 PHE QE 1 101 ILE MG 6.000 . 6.000 2.250 1.809 3.186 . 0 0 "[ . 1 . 2]" 1
62 1 30 VAL QG 1 68 PHE QE 6.000 . 6.000 4.473 3.926 5.288 . 0 0 "[ . 1 . 2]" 1
63 1 68 PHE QE 1 89 ILE MD 6.000 . 6.000 2.502 1.849 3.337 . 0 0 "[ . 1 . 2]" 1
64 1 68 PHE QE 1 101 ILE HB 6.000 . 6.000 3.741 2.956 5.292 . 0 0 "[ . 1 . 2]" 1
65 1 65 GLY HA2 1 68 PHE QE 6.000 . 6.000 2.509 2.019 4.648 . 0 0 "[ . 1 . 2]" 1
66 1 65 GLY HA3 1 68 PHE QE 6.000 . 6.000 3.960 3.087 5.911 . 0 0 "[ . 1 . 2]" 1
67 1 5 ARG HA 1 24 PHE QE 6.000 . 6.000 4.075 3.424 4.838 . 0 0 "[ . 1 . 2]" 1
68 1 24 PHE HA 1 24 PHE QE 6.000 . 6.000 4.214 4.123 4.403 . 0 0 "[ . 1 . 2]" 1
69 1 40 ASN HB3 1 43 TRP HD1 6.000 . 6.000 5.454 4.754 6.435 0.435 13 0 "[ . 1 . 2]" 1
70 1 40 ASN HB2 1 43 TRP HD1 6.000 . 6.000 5.404 4.540 5.990 . 0 0 "[ . 1 . 2]" 1
71 1 40 ASN HA 1 43 TRP HD1 6.000 . 6.000 2.867 2.176 3.526 . 0 0 "[ . 1 . 2]" 1
72 1 2 PHE HA 1 2 PHE HZ 6.000 . 6.000 7.085 6.073 7.178 1.178 19 19 "[**********-** ****+*]" 1
73 1 18 VAL QG 1 24 PHE QD 6.000 . 6.000 6.146 5.715 6.570 0.570 6 2 "[ .+ 1 - . 2]" 1
74 1 6 VAL QG 1 24 PHE HZ 6.000 . 6.000 2.532 1.895 2.900 . 0 0 "[ . 1 . 2]" 1
75 1 68 PHE QD 1 105 TYR QE 6.000 . 6.000 5.640 4.895 6.927 0.927 12 1 "[ . 1 + . 2]" 1
76 1 104 SER HA 1 109 TYR QE 6.000 . 6.000 8.667 7.684 9.956 3.956 12 20 [***-*******+********] 1
77 1 69 ASN HA 1 105 TYR QE 6.000 . 6.000 4.488 4.036 5.043 . 0 0 "[ . 1 . 2]" 1
78 1 78 HIS HD2 1 80 LEU QD 6.000 . 6.000 3.375 1.965 4.659 . 0 0 "[ . 1 . 2]" 1
79 1 43 TRP HE3 1 47 LEU HG 6.000 . 6.000 3.751 3.323 5.005 . 0 0 "[ . 1 . 2]" 1
80 1 43 TRP HH2 1 60 MET ME 6.000 . 6.000 3.811 3.163 4.278 . 0 0 "[ . 1 . 2]" 1
81 1 5 ARG HA 1 24 PHE HZ 6.000 . 6.000 3.278 2.304 4.433 . 0 0 "[ . 1 . 2]" 1
82 1 24 PHE HZ 1 28 GLU QB 6.000 . 6.000 5.891 5.024 6.742 0.742 11 1 "[ . 1+ . 2]" 1
83 1 24 PHE HZ 1 101 ILE MD 6.000 . 6.000 4.686 3.792 5.031 . 0 0 "[ . 1 . 2]" 1
84 1 5 ARG HG3 1 24 PHE HZ 6.000 . 6.000 4.191 1.932 4.957 . 0 0 "[ . 1 . 2]" 1
85 1 20 ALA MB 1 24 PHE HZ 6.000 . 6.000 5.385 4.687 6.124 0.124 4 0 "[ . 1 . 2]" 1
86 1 5 ARG HG2 1 24 PHE HZ 6.000 . 6.000 3.846 1.972 4.787 . 0 0 "[ . 1 . 2]" 1
87 1 43 TRP HZ2 1 47 LEU HG 6.000 . 6.000 4.271 3.569 5.895 . 0 0 "[ . 1 . 2]" 1
88 1 37 VAL HB 1 43 TRP HZ2 6.000 . 6.000 7.342 6.903 7.901 1.901 14 20 [***********-*+******] 1
89 1 36 ILE MG 1 43 TRP HZ2 6.000 . 6.000 3.380 2.953 3.889 . 0 0 "[ . 1 . 2]" 1
90 1 110 TRP HZ3 1 111 LEU QD 6.000 . 6.000 6.232 3.495 9.149 3.149 7 8 "[ * - + 1** ** * 2]" 1
91 1 29 LEU MD2 1 90 PHE HZ 6.000 . 6.000 3.142 2.507 4.737 . 0 0 "[ . 1 . 2]" 1
92 1 109 TYR QD 1 111 LEU HA 6.000 . 6.000 7.635 5.206 9.021 3.021 2 15 "[ + **** *** ***-***]" 1
93 1 109 TYR QE 1 111 LEU HA 6.000 . 6.000 9.464 7.167 10.703 4.703 2 20 [*+**********-*******] 1
94 1 109 TYR HA 1 109 TYR QE 6.000 . 6.000 4.192 4.047 4.376 . 0 0 "[ . 1 . 2]" 1
95 1 109 TYR QE 1 110 TRP HA 6.000 . 6.000 7.437 6.395 8.053 2.053 4 19 "[***+* ***-**********]" 1
96 1 69 ASN HA 1 105 TYR QD 6.000 . 6.000 6.508 6.074 7.045 1.045 16 13 "[** **** -1* * *+* *2]" 1
97 1 104 SER HA 1 109 TYR QD 6.000 . 6.000 7.049 6.413 8.013 2.013 12 18 "[*** .******+****-***]" 1
98 1 29 LEU MD2 1 90 PHE QD 6.000 . 6.000 3.229 2.182 5.209 . 0 0 "[ . 1 . 2]" 1
99 1 31 GLU HA 1 68 PHE QE 6.000 . 6.000 8.195 7.404 9.378 3.378 15 20 [*************-+*****] 1
100 1 43 TRP HZ3 1 60 MET ME 6.000 . 6.000 4.702 4.048 5.134 . 0 0 "[ . 1 . 2]" 1
101 1 50 TYR QE 1 60 MET ME 6.000 . 6.000 4.990 4.210 5.830 . 0 0 "[ . 1 . 2]" 1
102 1 24 PHE QD 1 30 VAL HA 6.000 . 6.000 4.914 4.192 5.344 . 0 0 "[ . 1 . 2]" 1
103 1 5 ARG HG2 1 24 PHE QE 6.000 . 6.000 4.193 2.558 5.394 . 0 0 "[ . 1 . 2]" 1
104 1 24 PHE HZ 1 30 VAL HA 6.000 . 6.000 3.987 2.847 4.853 . 0 0 "[ . 1 . 2]" 1
105 1 103 ILE HB 1 105 TYR QE 6.000 . 6.000 5.776 4.273 7.093 1.093 12 3 "[ * . 1 + . -]" 1
106 1 52 PHE QD 1 78 HIS HE1 6.000 . 6.000 4.758 3.326 6.203 0.203 5 0 "[ . 1 . 2]" 1
107 1 79 GLU HB2 1 90 PHE QD 6.000 . 6.000 2.834 2.077 4.748 . 0 0 "[ . 1 . 2]" 1
108 1 79 GLU HB3 1 90 PHE QD 6.000 . 6.000 3.373 2.767 4.605 . 0 0 "[ . 1 . 2]" 1
109 1 104 SER HA 1 105 TYR QD 6.000 . 6.000 3.973 3.213 4.291 . 0 0 "[ . 1 . 2]" 1
110 1 105 TYR QE 1 110 TRP HA 6.000 . 6.000 6.554 4.910 8.331 2.331 13 10 "[*-*** **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 263
_Distance_constraint_stats_list.Viol_count 180
_Distance_constraint_stats_list.Viol_total 8294.662
_Distance_constraint_stats_list.Viol_max 12.780
_Distance_constraint_stats_list.Viol_rms 0.7182
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0788
_Distance_constraint_stats_list.Viol_average_violations_only 2.3041
_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 2 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.925 0.415 6 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 2.887 0.418 6 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.359 0.359 6 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TRP 1.027 0.570 17 1 "[ . 1 . + 2]"
1 44 GLY 1.130 0.474 3 0 "[ . 1 . 2]"
1 45 THR 1.027 0.570 17 1 "[ . 1 . + 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 1.130 0.474 3 0 "[ . 1 . 2]"
1 49 ASP 34.413 2.844 7 20 [******+**-**********]
1 50 TYR 7.824 0.784 17 12 "[ * .** **** -* +* *]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ALA 42.237 2.844 7 20 [******+******-******]
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 32.571 2.200 15 20 [-*************+*****]
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASN 32.571 2.200 15 20 [-*************+*****]
1 70 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.425 0.425 10 0 "[ . 1 . 2]"
1 75 ASN 0.425 0.425 10 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 2.361 0.418 6 0 "[ . 1 . 2]"
1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ILE 64.428 3.428 12 20 [***********+*******-]
1 102 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ILE 6.597 0.480 17 0 "[ . 1 . 2]"
1 104 SER 57.831 3.428 12 20 [***********+*******-]
1 105 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 0.438 0.298 7 0 "[ . 1 . 2]"
1 107 ASP 31.720 3.200 16 15 "[* -** ***1*** *+* **]"
1 108 ASP 26.404 2.074 18 18 [*******-******.**+*2]
1 109 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 TRP 31.720 3.200 16 15 "[* -** ***1*** *+* **]"
1 111 LEU 236.585 12.780 3 20 [**+****-************]
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ASN 210.619 12.780 3 20 [**+******-**********]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 64 PHE H 1 65 GLY H 6.000 . 6.000 3.286 2.622 3.636 . 0 0 "[ . 1 . 2]" 2
2 1 16 TYR HA 1 17 GLY H 6.000 . 6.000 2.409 2.226 2.651 . 0 0 "[ . 1 . 2]" 2
3 1 9 LYS H 1 17 GLY H 6.000 . 6.000 3.890 3.391 4.303 . 0 0 "[ . 1 . 2]" 2
4 1 29 LEU HA 1 30 VAL H 6.000 . 6.000 2.242 2.199 2.445 . 0 0 "[ . 1 . 2]" 2
5 1 36 ILE HA 1 37 VAL H 6.000 . 6.000 2.301 2.223 2.446 . 0 0 "[ . 1 . 2]" 2
6 1 7 ILE HA 1 8 VAL H 6.000 . 6.000 2.390 2.266 2.470 . 0 0 "[ . 1 . 2]" 2
7 1 31 GLU HA 1 32 GLU H 6.000 . 6.000 2.374 2.217 2.630 . 0 0 "[ . 1 . 2]" 2
8 1 37 VAL HA 1 38 ARG H 6.000 . 6.000 2.248 2.196 2.407 . 0 0 "[ . 1 . 2]" 2
9 1 37 VAL HB 1 38 ARG H 6.000 . 6.000 4.385 4.189 4.475 . 0 0 "[ . 1 . 2]" 2
10 1 118 GLN HA 1 119 ASN H 6.000 . 6.000 2.601 2.246 3.550 . 0 0 "[ . 1 . 2]" 2
11 1 118 GLN HB3 1 119 ASN H 6.000 . 6.000 3.552 1.942 4.354 . 0 0 "[ . 1 . 2]" 2
12 1 28 GLU H 1 29 LEU H 6.000 . 6.000 4.139 1.949 4.606 . 0 0 "[ . 1 . 2]" 2
13 1 28 GLU HA 1 29 LEU H 6.000 . 6.000 2.338 2.202 3.272 . 0 0 "[ . 1 . 2]" 2
14 1 28 GLU QB 1 29 LEU H 6.000 . 6.000 3.364 2.708 3.754 . 0 0 "[ . 1 . 2]" 2
15 1 19 PHE H 1 19 PHE HD1 6.000 . 6.000 3.342 2.859 3.811 . 0 0 "[ . 1 . 2]" 2
16 1 18 VAL HA 1 19 PHE H 6.000 . 6.000 2.252 2.206 2.372 . 0 0 "[ . 1 . 2]" 2
17 1 89 ILE HA 1 90 PHE H 6.000 . 6.000 2.241 2.199 2.315 . 0 0 "[ . 1 . 2]" 2
18 1 77 ARG H 1 90 PHE H 6.000 . 6.000 3.467 2.867 4.096 . 0 0 "[ . 1 . 2]" 2
19 1 45 THR H 1 46 ALA H 6.000 . 6.000 2.826 2.632 3.011 . 0 0 "[ . 1 . 2]" 2
20 1 42 ASP HA 1 46 ALA H 6.000 . 6.000 3.662 3.412 3.919 . 0 0 "[ . 1 . 2]" 2
21 1 45 THR HA 1 46 ALA H 6.000 . 6.000 3.590 3.560 3.607 . 0 0 "[ . 1 . 2]" 2
22 1 54 ARG H 1 54 ARG QD 6.000 . 6.000 4.288 3.949 4.732 . 0 0 "[ . 1 . 2]" 2
23 1 54 ARG H 1 55 LYS H 6.000 . 6.000 4.476 4.391 4.557 . 0 0 "[ . 1 . 2]" 2
24 1 53 SER HA 1 54 ARG H 6.000 . 6.000 2.244 2.173 2.374 . 0 0 "[ . 1 . 2]" 2
25 1 58 SER HA 1 59 ALA H 6.000 . 6.000 2.300 2.212 2.497 . 0 0 "[ . 1 . 2]" 2
26 1 54 ARG H 1 57 MET HG2 6.000 . 6.000 3.528 2.936 3.896 . 0 0 "[ . 1 . 2]" 2
27 1 54 ARG H 1 57 MET H 6.000 . 6.000 3.335 3.135 3.646 . 0 0 "[ . 1 . 2]" 2
28 1 75 ASN H 1 76 ALA H 6.000 . 6.000 2.533 1.965 2.852 . 0 0 "[ . 1 . 2]" 2
29 1 75 ASN HA 1 76 ALA H 6.000 . 6.000 3.415 3.089 3.502 . 0 0 "[ . 1 . 2]" 2
30 1 20 ALA H 1 100 GLU HA 6.000 . 6.000 2.837 2.126 3.796 . 0 0 "[ . 1 . 2]" 2
31 1 19 PHE HB3 1 20 ALA H 6.000 . 6.000 3.473 2.675 3.747 . 0 0 "[ . 1 . 2]" 2
32 1 20 ALA H 1 101 ILE MD 6.000 . 6.000 3.605 2.903 4.103 . 0 0 "[ . 1 . 2]" 2
33 1 19 PHE HA 1 20 ALA H 6.000 . 6.000 2.248 2.189 2.413 . 0 0 "[ . 1 . 2]" 2
34 1 115 ARG HA 1 116 LEU H 6.000 . 6.000 2.912 2.200 3.588 . 0 0 "[ . 1 . 2]" 2
35 1 112 SER HA 1 113 ARG H 6.000 . 6.000 3.059 2.186 3.592 . 0 0 "[ . 1 . 2]" 2
36 1 112 SER HB3 1 113 ARG H 6.000 . 6.000 3.167 1.949 4.614 . 0 0 "[ . 1 . 2]" 2
37 1 35 CYS HA 1 36 ILE H 6.000 . 6.000 2.483 2.316 2.672 . 0 0 "[ . 1 . 2]" 2
38 1 15 GLY HA2 1 16 TYR H 6.000 . 6.000 2.677 2.194 3.429 . 0 0 "[ . 1 . 2]" 2
39 1 15 GLY HA3 1 16 TYR H 6.000 . 6.000 2.694 2.196 3.516 . 0 0 "[ . 1 . 2]" 2
40 1 32 GLU HA 1 33 CYS H 6.000 . 6.000 2.322 2.238 2.465 . 0 0 "[ . 1 . 2]" 2
41 1 24 PHE HA 1 25 GLU H 6.000 . 6.000 2.368 2.272 2.460 . 0 0 "[ . 1 . 2]" 2
42 1 25 GLU HB3 1 26 LYS H 6.000 . 6.000 2.319 1.946 3.329 . 0 0 "[ . 1 . 2]" 2
43 1 25 GLU HB2 1 26 LYS H 6.000 . 6.000 3.621 2.494 4.115 . 0 0 "[ . 1 . 2]" 2
44 1 24 PHE HB3 1 25 GLU H 6.000 . 6.000 2.774 2.517 3.165 . 0 0 "[ . 1 . 2]" 2
45 1 24 PHE H 1 95 ILE H 6.000 . 6.000 2.943 2.381 3.572 . 0 0 "[ . 1 . 2]" 2
46 1 94 PRO HA 1 95 ILE H 6.000 . 6.000 2.272 2.207 2.372 . 0 0 "[ . 1 . 2]" 2
47 1 94 PRO HB3 1 95 ILE H 6.000 . 6.000 3.422 3.123 3.767 . 0 0 "[ . 1 . 2]" 2
48 1 98 GLY H 1 99 GLU H 6.000 . 6.000 2.315 1.932 3.372 . 0 0 "[ . 1 . 2]" 2
49 1 98 GLY QA 1 99 GLU H 6.000 . 6.000 2.755 2.550 2.880 . 0 0 "[ . 1 . 2]" 2
50 1 97 ILE HA 1 99 GLU H 6.000 . 6.000 3.930 3.602 4.187 . 0 0 "[ . 1 . 2]" 2
51 1 96 ALA MB 1 99 GLU H 6.000 . 6.000 4.658 4.120 5.140 . 0 0 "[ . 1 . 2]" 2
52 1 33 CYS HA 1 34 LEU H 6.000 . 6.000 2.737 2.391 2.937 . 0 0 "[ . 1 . 2]" 2
53 1 88 ARG HA 1 89 ILE H 6.000 . 6.000 2.380 2.219 2.583 . 0 0 "[ . 1 . 2]" 2
54 1 23 SER HB3 1 24 PHE H 6.000 . 6.000 3.854 3.504 4.090 . 0 0 "[ . 1 . 2]" 2
55 1 24 PHE H 1 25 GLU H 6.000 . 6.000 4.557 4.521 4.604 . 0 0 "[ . 1 . 2]" 2
56 1 10 LYS H 1 10 LYS HD3 6.000 . 6.000 4.544 3.728 5.518 . 0 0 "[ . 1 . 2]" 2
57 1 9 LYS HA 1 10 LYS H 6.000 . 6.000 3.604 3.587 3.619 . 0 0 "[ . 1 . 2]" 2
58 1 59 ALA HA 1 60 MET H 6.000 . 6.000 2.401 2.238 2.562 . 0 0 "[ . 1 . 2]" 2
59 1 59 ALA MB 1 60 MET H 6.000 . 6.000 2.686 2.348 3.143 . 0 0 "[ . 1 . 2]" 2
60 1 92 ILE H 1 93 LYS H 6.000 . 6.000 2.833 2.547 4.219 . 0 0 "[ . 1 . 2]" 2
61 1 28 GLU H 1 91 THR H 6.000 . 6.000 2.602 1.944 4.520 . 0 0 "[ . 1 . 2]" 2
62 1 27 GLY HA3 1 28 GLU H 6.000 . 6.000 3.540 3.085 3.590 . 0 0 "[ . 1 . 2]" 2
63 1 27 GLY H 1 28 GLU H 6.000 . 6.000 2.428 1.934 3.423 . 0 0 "[ . 1 . 2]" 2
64 1 110 TRP H 1 111 LEU H 6.000 . 6.000 4.343 2.793 4.695 . 0 0 "[ . 1 . 2]" 2
65 1 42 ASP H 1 43 TRP H 6.000 . 6.000 2.872 2.720 3.086 . 0 0 "[ . 1 . 2]" 2
66 1 40 ASN HA 1 43 TRP H 6.000 . 6.000 4.866 4.176 5.481 . 0 0 "[ . 1 . 2]" 2
67 1 79 GLU H 1 89 ILE HA 6.000 . 6.000 3.524 2.492 4.080 . 0 0 "[ . 1 . 2]" 2
68 1 78 HIS HA 1 79 GLU H 6.000 . 6.000 2.389 2.206 2.649 . 0 0 "[ . 1 . 2]" 2
69 1 78 HIS HB2 1 79 GLU H 6.000 . 6.000 2.769 2.023 3.479 . 0 0 "[ . 1 . 2]" 2
70 1 78 HIS HB3 1 79 GLU H 6.000 . 6.000 3.971 3.503 4.334 . 0 0 "[ . 1 . 2]" 2
71 1 47 LEU HA 1 48 GLU H 6.000 . 6.000 2.953 2.738 3.185 . 0 0 "[ . 1 . 2]" 2
72 1 47 LEU H 1 48 GLU H 6.000 . 6.000 3.048 2.722 3.400 . 0 0 "[ . 1 . 2]" 2
73 1 48 GLU H 1 49 ASP H 6.000 . 6.000 3.501 2.684 4.700 . 0 0 "[ . 1 . 2]" 2
74 1 41 ASP H 1 42 ASP H 6.000 . 6.000 4.498 4.035 4.696 . 0 0 "[ . 1 . 2]" 2
75 1 109 TYR HB3 1 110 TRP H 6.000 . 6.000 4.026 3.197 4.362 . 0 0 "[ . 1 . 2]" 2
76 1 107 ASP HA 1 110 TRP H 6.000 . 6.000 7.362 4.146 9.200 3.200 16 15 "[* -** ***1*** *+* **]" 2
77 1 109 TYR HA 1 110 TRP H 6.000 . 6.000 2.339 2.196 3.010 . 0 0 "[ . 1 . 2]" 2
78 1 109 TYR HB2 1 110 TRP H 6.000 . 6.000 4.595 4.290 4.670 . 0 0 "[ . 1 . 2]" 2
79 1 110 TRP H 1 110 TRP HD1 6.000 . 6.000 3.894 2.163 5.623 . 0 0 "[ . 1 . 2]" 2
80 1 61 ALA HA 1 62 LEU H 6.000 . 6.000 2.650 2.214 3.616 . 0 0 "[ . 1 . 2]" 2
81 1 51 LEU HA 1 52 PHE H 6.000 . 6.000 2.214 2.199 2.269 . 0 0 "[ . 1 . 2]" 2
82 1 106 GLY HA3 1 107 ASP H 6.000 . 6.000 2.531 2.208 2.931 . 0 0 "[ . 1 . 2]" 2
83 1 13 LEU H 1 14 GLY H 6.000 . 6.000 2.445 1.923 2.998 . 0 0 "[ . 1 . 2]" 2
84 1 12 PRO HA 1 13 LEU H 6.000 . 6.000 3.266 2.237 3.597 . 0 0 "[ . 1 . 2]" 2
85 1 77 ARG HA 1 78 HIS H 6.000 . 6.000 2.614 2.357 2.843 . 0 0 "[ . 1 . 2]" 2
86 1 101 ILE H 1 102 THR H 6.000 . 6.000 4.505 4.384 4.584 . 0 0 "[ . 1 . 2]" 2
87 1 101 ILE HA 1 102 THR H 6.000 . 6.000 2.181 2.153 2.218 . 0 0 "[ . 1 . 2]" 2
88 1 101 ILE HB 1 102 THR H 6.000 . 6.000 4.241 4.133 4.324 . 0 0 "[ . 1 . 2]" 2
89 1 101 ILE MG 1 102 THR H 6.000 . 6.000 2.626 2.259 2.838 . 0 0 "[ . 1 . 2]" 2
90 1 72 LYS HA 1 73 ASP H 6.000 . 6.000 3.251 2.213 3.552 . 0 0 "[ . 1 . 2]" 2
91 1 108 ASP H 1 109 TYR H 6.000 . 6.000 2.698 1.921 4.467 . 0 0 "[ . 1 . 2]" 2
92 1 23 SER HA 1 97 ILE H 6.000 . 6.000 4.873 4.451 5.175 . 0 0 "[ . 1 . 2]" 2
93 1 23 SER HB3 1 97 ILE H 6.000 . 6.000 4.311 2.955 5.250 . 0 0 "[ . 1 . 2]" 2
94 1 4 ASP HA 1 5 ARG H 6.000 . 6.000 3.288 2.364 3.594 . 0 0 "[ . 1 . 2]" 2
95 1 5 ARG H 1 6 VAL H 6.000 . 6.000 2.438 1.922 3.064 . 0 0 "[ . 1 . 2]" 2
96 1 56 ASN H 1 57 MET H 6.000 . 6.000 1.939 1.843 2.032 . 0 0 "[ . 1 . 2]" 2
97 1 66 ALA HA 1 67 ILE H 6.000 . 6.000 3.546 3.317 3.592 . 0 0 "[ . 1 . 2]" 2
98 1 50 TYR H 1 51 LEU H 6.000 . 6.000 2.895 2.680 3.361 . 0 0 "[ . 1 . 2]" 2
99 1 21 ARG H 1 22 LYS H 6.000 . 6.000 2.596 2.418 2.677 . 0 0 "[ . 1 . 2]" 2
100 1 6 VAL HA 1 7 ILE H 6.000 . 6.000 2.431 2.216 2.688 . 0 0 "[ . 1 . 2]" 2
101 1 52 PHE HA 1 53 SER H 6.000 . 6.000 2.283 2.223 2.633 . 0 0 "[ . 1 . 2]" 2
102 1 76 ALA HA 1 77 ARG H 6.000 . 6.000 2.329 2.195 2.579 . 0 0 "[ . 1 . 2]" 2
103 1 76 ALA MB 1 77 ARG H 6.000 . 6.000 2.902 2.427 3.383 . 0 0 "[ . 1 . 2]" 2
104 1 3 ASN HA 1 4 ASP H 6.000 . 6.000 2.468 2.255 3.534 . 0 0 "[ . 1 . 2]" 2
105 1 49 ASP H 1 50 TYR H 6.000 . 6.000 3.624 1.938 4.571 . 0 0 "[ . 1 . 2]" 2
106 1 34 LEU HA 1 35 CYS H 6.000 . 6.000 2.551 2.399 2.712 . 0 0 "[ . 1 . 2]" 2
107 1 48 GLU HA 1 49 ASP H 6.000 . 6.000 2.859 2.351 3.521 . 0 0 "[ . 1 . 2]" 2
108 1 69 ASN HA 1 70 HIS H 6.000 . 6.000 2.622 2.501 2.828 . 0 0 "[ . 1 . 2]" 2
109 1 50 TYR H 1 50 TYR HD2 6.000 . 6.000 4.006 2.759 5.004 . 0 0 "[ . 1 . 2]" 2
110 1 49 ASP HA 1 50 TYR H 6.000 . 6.000 2.824 2.250 3.595 . 0 0 "[ . 1 . 2]" 2
111 1 76 ALA HA 1 92 ILE H 6.000 . 6.000 2.264 1.928 2.837 . 0 0 "[ . 1 . 2]" 2
112 1 97 ILE HA 1 98 GLY H 6.000 . 6.000 2.477 2.205 3.503 . 0 0 "[ . 1 . 2]" 2
113 1 97 ILE HB 1 98 GLY H 6.000 . 6.000 4.118 2.910 4.492 . 0 0 "[ . 1 . 2]" 2
114 1 97 ILE MG 1 98 GLY H 6.000 . 6.000 3.079 2.568 3.716 . 0 0 "[ . 1 . 2]" 2
115 1 81 THR H 1 86 ARG H 6.000 . 6.000 3.505 2.509 4.503 . 0 0 "[ . 1 . 2]" 2
116 1 85 LYS H 1 86 ARG H 6.000 . 6.000 2.598 1.941 4.123 . 0 0 "[ . 1 . 2]" 2
117 1 85 LYS HA 1 86 ARG H 6.000 . 6.000 3.563 3.464 3.595 . 0 0 "[ . 1 . 2]" 2
118 1 111 LEU HA 1 112 SER H 6.000 . 6.000 2.724 2.230 3.590 . 0 0 "[ . 1 . 2]" 2
119 1 111 LEU HB3 1 112 SER H 6.000 . 6.000 2.890 1.928 4.143 . 0 0 "[ . 1 . 2]" 2
120 1 67 ILE HB 1 68 PHE H 6.000 . 6.000 3.822 2.968 4.108 . 0 0 "[ . 1 . 2]" 2
121 1 67 ILE H 1 68 PHE H 6.000 . 6.000 2.819 2.345 3.040 . 0 0 "[ . 1 . 2]" 2
122 1 67 ILE MD 1 68 PHE H 6.000 . 6.000 2.464 1.884 3.619 . 0 0 "[ . 1 . 2]" 2
123 1 67 ILE HA 1 68 PHE H 6.000 . 6.000 3.493 3.359 3.561 . 0 0 "[ . 1 . 2]" 2
124 1 57 MET HA 1 58 SER H 6.000 . 6.000 2.743 2.606 2.968 . 0 0 "[ . 1 . 2]" 2
125 1 57 MET HB3 1 58 SER H 6.000 . 6.000 3.567 3.485 3.689 . 0 0 "[ . 1 . 2]" 2
126 1 57 MET HB2 1 58 SER H 6.000 . 6.000 2.044 1.931 2.222 . 0 0 "[ . 1 . 2]" 2
127 1 101 ILE HA 1 104 SER H 6.000 . 6.000 8.892 7.538 9.428 3.428 12 20 [***********+*******-] 2
128 1 103 ILE MD 1 104 SER H 6.000 . 6.000 3.303 2.171 3.968 . 0 0 "[ . 1 . 2]" 2
129 1 103 ILE HB 1 104 SER H 6.000 . 6.000 2.780 1.960 4.309 . 0 0 "[ . 1 . 2]" 2
130 1 44 GLY H 1 45 THR H 6.000 . 6.000 2.736 2.584 3.031 . 0 0 "[ . 1 . 2]" 2
131 1 42 ASP HA 1 45 THR H 6.000 . 6.000 3.438 3.192 3.736 . 0 0 "[ . 1 . 2]" 2
132 1 44 GLY HA3 1 45 THR H 6.000 . 6.000 2.911 2.544 3.072 . 0 0 "[ . 1 . 2]" 2
133 1 80 LEU HA 1 81 THR H 6.000 . 6.000 2.288 2.211 2.645 . 0 0 "[ . 1 . 2]" 2
134 1 46 ALA MB 1 47 LEU H 6.000 . 6.000 2.255 1.980 2.596 . 0 0 "[ . 1 . 2]" 2
135 1 80 LEU HG 1 81 THR H 6.000 . 6.000 4.430 2.843 5.087 . 0 0 "[ . 1 . 2]" 2
136 1 3 ASN H 1 6 VAL H 6.000 . 6.000 3.492 3.011 3.929 . 0 0 "[ . 1 . 2]" 2
137 1 5 ARG HB3 1 6 VAL H 6.000 . 6.000 3.427 2.412 4.436 . 0 0 "[ . 1 . 2]" 2
138 1 73 ASP HA 1 75 ASN H 6.000 . 6.000 5.486 4.848 6.425 0.425 10 0 "[ . 1 . 2]" 2
139 1 90 PHE HA 1 91 THR H 6.000 . 6.000 2.571 2.312 2.731 . 0 0 "[ . 1 . 2]" 2
140 1 90 PHE HB3 1 91 THR H 6.000 . 6.000 2.341 2.004 3.102 . 0 0 "[ . 1 . 2]" 2
141 1 90 PHE HB2 1 91 THR H 6.000 . 6.000 3.729 3.389 4.270 . 0 0 "[ . 1 . 2]" 2
142 1 22 LYS HA 1 23 SER H 6.000 . 6.000 3.706 3.689 3.721 . 0 0 "[ . 1 . 2]" 2
143 1 102 THR MG 1 103 ILE H 6.000 . 6.000 3.678 2.357 4.163 . 0 0 "[ . 1 . 2]" 2
144 1 105 TYR HB2 1 106 GLY H 6.000 . 6.000 1.972 1.897 2.146 . 0 0 "[ . 1 . 2]" 2
145 1 105 TYR HA 1 106 GLY H 6.000 . 6.000 3.582 3.531 3.595 . 0 0 "[ . 1 . 2]" 2
146 1 96 ALA H 1 97 ILE H 6.000 . 6.000 4.608 4.575 4.636 . 0 0 "[ . 1 . 2]" 2
147 1 95 ILE HA 1 96 ALA H 6.000 . 6.000 2.273 2.213 2.341 . 0 0 "[ . 1 . 2]" 2
148 1 13 LEU HA 1 14 GLY H 6.000 . 6.000 3.272 2.695 3.588 . 0 0 "[ . 1 . 2]" 2
149 1 100 GLU HA 1 101 ILE H 6.000 . 6.000 2.210 2.185 2.249 . 0 0 "[ . 1 . 2]" 2
150 1 19 PHE HD1 1 20 ALA H 6.000 . 6.000 4.781 4.369 5.288 . 0 0 "[ . 1 . 2]" 2
151 1 20 ALA H 1 101 ILE HG13 6.000 . 6.000 2.923 2.421 3.480 . 0 0 "[ . 1 . 2]" 2
152 1 8 VAL HA 1 9 LYS H 6.000 . 6.000 2.203 2.177 2.246 . 0 0 "[ . 1 . 2]" 2
153 1 8 VAL MG1 1 9 LYS H 6.000 . 6.000 3.463 2.424 4.064 . 0 0 "[ . 1 . 2]" 2
154 1 8 VAL MG2 1 9 LYS H 6.000 . 6.000 3.284 2.249 4.207 . 0 0 "[ . 1 . 2]" 2
155 1 16 TYR HB3 1 17 GLY H 6.000 . 6.000 4.191 3.879 4.369 . 0 0 "[ . 1 . 2]" 2
156 1 24 PHE QD 1 25 GLU H 6.000 . 6.000 3.371 2.794 3.621 . 0 0 "[ . 1 . 2]" 2
157 1 36 ILE H 1 61 ALA MB 6.000 . 6.000 5.549 5.203 5.682 . 0 0 "[ . 1 . 2]" 2
158 1 106 GLY HA3 1 108 ASP H 6.000 . 6.000 4.211 3.124 6.298 0.298 7 0 "[ . 1 . 2]" 2
159 1 23 SER HA 1 24 PHE H 6.000 . 6.000 3.473 3.413 3.550 . 0 0 "[ . 1 . 2]" 2
160 1 68 PHE H 1 68 PHE QE 6.000 . 6.000 4.660 4.122 5.342 . 0 0 "[ . 1 . 2]" 2
161 1 79 GLU HA 1 80 LEU H 6.000 . 6.000 2.336 2.215 2.522 . 0 0 "[ . 1 . 2]" 2
162 1 29 LEU HA 1 91 THR H 6.000 . 6.000 4.339 3.670 5.027 . 0 0 "[ . 1 . 2]" 2
163 1 111 LEU HB2 1 112 SER H 6.000 . 6.000 3.854 3.402 4.414 . 0 0 "[ . 1 . 2]" 2
164 1 116 LEU QB 1 117 THR H 6.000 . 6.000 3.243 1.894 3.936 . 0 0 "[ . 1 . 2]" 2
165 1 111 LEU HA 1 119 ASN H 6.000 . 6.000 16.531 11.074 18.780 12.780 3 20 [**+******-**********] 2
166 1 4 ASP HA 1 6 VAL H 6.000 . 6.000 4.588 4.147 5.094 . 0 0 "[ . 1 . 2]" 2
167 1 40 ASN H 1 57 MET HA 6.000 . 6.000 3.896 2.961 4.552 . 0 0 "[ . 1 . 2]" 2
168 1 14 GLY HA2 1 15 GLY H 6.000 . 6.000 2.704 2.191 3.249 . 0 0 "[ . 1 . 2]" 2
169 1 60 MET H 1 60 MET ME 6.000 . 6.000 5.442 4.833 5.885 . 0 0 "[ . 1 . 2]" 2
170 1 58 SER HB2 1 59 ALA H 6.000 . 6.000 3.710 2.719 4.503 . 0 0 "[ . 1 . 2]" 2
171 1 66 ALA HA 1 68 PHE H 6.000 . 6.000 3.866 3.636 4.116 . 0 0 "[ . 1 . 2]" 2
172 1 70 HIS HA 1 71 SER H 6.000 . 6.000 2.274 2.202 2.385 . 0 0 "[ . 1 . 2]" 2
173 1 108 ASP HA 1 111 LEU H 6.000 . 6.000 7.298 6.132 8.074 2.074 18 18 [*******-******.**+*2] 2
174 1 86 ARG HA 1 87 MET H 6.000 . 6.000 2.338 2.205 2.599 . 0 0 "[ . 1 . 2]" 2
175 1 87 MET HA 1 88 ARG H 6.000 . 6.000 2.276 2.200 2.488 . 0 0 "[ . 1 . 2]" 2
176 1 50 TYR HA 1 51 LEU H 6.000 . 6.000 2.928 2.633 3.196 . 0 0 "[ . 1 . 2]" 2
177 1 91 THR HA 1 92 ILE H 6.000 . 6.000 2.307 2.217 2.412 . 0 0 "[ . 1 . 2]" 2
178 1 103 ILE HA 1 104 SER H 6.000 . 6.000 2.474 2.225 3.264 . 0 0 "[ . 1 . 2]" 2
179 1 96 ALA HA 1 97 ILE H 6.000 . 6.000 2.391 2.310 2.453 . 0 0 "[ . 1 . 2]" 2
180 1 12 PRO HB3 1 13 LEU H 6.000 . 6.000 4.032 2.719 4.726 . 0 0 "[ . 1 . 2]" 2
181 1 21 ARG HA 1 22 LYS H 6.000 . 6.000 3.476 3.445 3.508 . 0 0 "[ . 1 . 2]" 2
182 1 24 PHE HB2 1 25 GLU H 6.000 . 6.000 3.958 3.799 4.210 . 0 0 "[ . 1 . 2]" 2
183 1 25 GLU HA 1 26 LYS H 6.000 . 6.000 2.801 2.430 3.554 . 0 0 "[ . 1 . 2]" 2
184 1 26 LYS HA 1 27 GLY H 6.000 . 6.000 2.484 2.208 3.355 . 0 0 "[ . 1 . 2]" 2
185 1 54 ARG HA 1 55 LYS H 6.000 . 6.000 2.631 2.521 2.735 . 0 0 "[ . 1 . 2]" 2
186 1 24 PHE H 1 25 GLU N 6.000 . 6.000 4.138 4.071 4.229 . 0 0 "[ . 1 . 2]" 2
187 1 85 LYS H 1 85 LYS HD3 6.000 . 6.000 4.947 3.798 5.759 . 0 0 "[ . 1 . 2]" 2
188 1 90 PHE QD 1 91 THR H 6.000 . 6.000 3.033 2.390 3.591 . 0 0 "[ . 1 . 2]" 2
189 1 95 ILE HB 1 96 ALA H 6.000 . 6.000 4.084 3.828 4.283 . 0 0 "[ . 1 . 2]" 2
190 1 95 ILE MD 1 96 ALA H 6.000 . 6.000 4.945 4.708 5.131 . 0 0 "[ . 1 . 2]" 2
191 1 24 PHE QD 1 95 ILE H 6.000 . 6.000 4.507 3.990 5.381 . 0 0 "[ . 1 . 2]" 2
192 1 94 PRO HG2 1 95 ILE H 6.000 . 6.000 5.540 5.302 5.734 . 0 0 "[ . 1 . 2]" 2
193 1 3 ASN H 1 7 ILE HA 6.000 . 6.000 2.701 1.936 3.650 . 0 0 "[ . 1 . 2]" 2
194 1 77 ARG H 1 91 THR HA 6.000 . 6.000 3.277 2.773 3.567 . 0 0 "[ . 1 . 2]" 2
195 1 105 TYR HB3 1 106 GLY H 6.000 . 6.000 3.063 2.288 3.409 . 0 0 "[ . 1 . 2]" 2
196 1 23 SER H 1 24 PHE H 6.000 . 6.000 2.101 1.990 2.272 . 0 0 "[ . 1 . 2]" 2
197 1 54 ARG H 1 58 SER HA 6.000 . 6.000 2.943 2.281 3.350 . 0 0 "[ . 1 . 2]" 2
198 1 30 VAL H 1 90 PHE HA 6.000 . 6.000 2.890 2.498 3.829 . 0 0 "[ . 1 . 2]" 2
199 1 36 ILE H 1 61 ALA HA 6.000 . 6.000 4.647 4.325 4.775 . 0 0 "[ . 1 . 2]" 2
200 1 60 MET HA 1 61 ALA H 6.000 . 6.000 2.390 2.316 2.572 . 0 0 "[ . 1 . 2]" 2
201 1 40 ASN H 1 41 ASP H 6.000 . 6.000 4.281 4.091 4.703 . 0 0 "[ . 1 . 2]" 2
202 1 8 VAL HA 1 19 PHE H 6.000 . 6.000 3.409 2.867 3.745 . 0 0 "[ . 1 . 2]" 2
203 1 45 THR HA 1 48 GLU H 6.000 . 6.000 4.000 3.500 4.596 . 0 0 "[ . 1 . 2]" 2
204 1 39 HIS HA 1 58 SER H 6.000 . 6.000 3.022 2.517 3.748 . 0 0 "[ . 1 . 2]" 2
205 1 52 PHE H 1 59 ALA H 6.000 . 6.000 3.712 2.963 4.415 . 0 0 "[ . 1 . 2]" 2
206 1 33 CYS H 1 87 MET H 6.000 . 6.000 3.191 2.461 3.844 . 0 0 "[ . 1 . 2]" 2
207 1 66 ALA H 1 67 ILE H 6.000 . 6.000 2.538 2.340 3.091 . 0 0 "[ . 1 . 2]" 2
208 1 2 PHE HA 1 8 VAL H 6.000 . 6.000 2.939 2.224 3.424 . 0 0 "[ . 1 . 2]" 2
209 1 7 ILE H 1 19 PHE H 6.000 . 6.000 3.311 2.813 3.837 . 0 0 "[ . 1 . 2]" 2
210 1 16 TYR H 1 16 TYR HD1 6.000 . 6.000 4.108 2.179 5.228 . 0 0 "[ . 1 . 2]" 2
211 1 20 ALA H 1 99 GLU H 6.000 . 6.000 3.426 2.859 3.835 . 0 0 "[ . 1 . 2]" 2
212 1 20 ALA H 1 101 ILE HG12 6.000 . 6.000 4.457 3.873 5.200 . 0 0 "[ . 1 . 2]" 2
213 1 20 ALA MB 1 21 ARG H 6.000 . 6.000 3.634 3.536 3.683 . 0 0 "[ . 1 . 2]" 2
214 1 20 ALA HA 1 21 ARG H 6.000 . 6.000 2.325 2.250 2.384 . 0 0 "[ . 1 . 2]" 2
215 1 22 LYS H 1 23 SER H 6.000 . 6.000 4.893 4.762 4.970 . 0 0 "[ . 1 . 2]" 2
216 1 22 LYS H 1 22 LYS HE3 6.000 . 6.000 5.560 3.804 6.354 0.354 20 0 "[ . 1 . 2]" 2
217 1 24 PHE H 1 96 ALA HA 6.000 . 6.000 4.342 4.134 4.569 . 0 0 "[ . 1 . 2]" 2
218 1 26 LYS H 1 26 LYS QE 6.000 . 6.000 5.915 5.576 6.359 0.359 6 0 "[ . 1 . 2]" 2
219 1 35 CYS H 1 36 ILE H 6.000 . 6.000 4.428 4.390 4.454 . 0 0 "[ . 1 . 2]" 2
220 1 38 ARG HA 1 39 HIS H 6.000 . 6.000 2.388 2.214 2.794 . 0 0 "[ . 1 . 2]" 2
221 1 41 ASP HA 1 44 GLY H 6.000 . 6.000 4.508 4.060 4.838 . 0 0 "[ . 1 . 2]" 2
222 1 43 TRP HA 1 44 GLY H 6.000 . 6.000 3.583 3.537 3.596 . 0 0 "[ . 1 . 2]" 2
223 1 43 TRP HB3 1 45 THR H 6.000 . 6.000 4.758 4.397 5.611 . 0 0 "[ . 1 . 2]" 2
224 1 46 ALA H 1 47 LEU H 6.000 . 6.000 2.923 2.504 3.093 . 0 0 "[ . 1 . 2]" 2
225 1 35 CYS HA 1 62 LEU H 6.000 . 6.000 2.639 1.931 4.423 . 0 0 "[ . 1 . 2]" 2
226 1 61 ALA HA 1 63 GLY H 6.000 . 6.000 4.596 3.566 5.021 . 0 0 "[ . 1 . 2]" 2
227 1 63 GLY HA3 1 64 PHE H 6.000 . 6.000 2.253 2.179 2.484 . 0 0 "[ . 1 . 2]" 2
228 1 63 GLY HA2 1 64 PHE H 6.000 . 6.000 3.085 2.738 3.346 . 0 0 "[ . 1 . 2]" 2
229 1 68 PHE HA 1 69 ASN H 6.000 . 6.000 2.245 2.199 2.330 . 0 0 "[ . 1 . 2]" 2
230 1 71 SER HA 1 72 LYS H 6.000 . 6.000 2.400 2.210 3.132 . 0 0 "[ . 1 . 2]" 2
231 1 81 THR HA 1 82 ALA H 6.000 . 6.000 2.802 2.216 3.594 . 0 0 "[ . 1 . 2]" 2
232 1 87 MET H 1 87 MET ME 6.000 . 6.000 4.973 3.903 5.676 . 0 0 "[ . 1 . 2]" 2
233 1 30 VAL H 1 89 ILE H 6.000 . 6.000 3.897 3.125 4.750 . 0 0 "[ . 1 . 2]" 2
234 1 24 PHE HA 1 95 ILE H 6.000 . 6.000 4.568 4.293 5.048 . 0 0 "[ . 1 . 2]" 2
235 1 101 ILE HA 1 103 ILE H 6.000 . 6.000 6.205 3.606 6.480 0.480 17 0 "[ . 1 . 2]" 2
236 1 9 LYS H 1 18 VAL HA 6.000 . 6.000 3.040 2.152 3.467 . 0 0 "[ . 1 . 2]" 2
237 1 43 TRP H 1 44 GLY H 6.000 . 6.000 2.819 2.561 3.040 . 0 0 "[ . 1 . 2]" 2
238 1 49 ASP H 1 61 ALA H 6.000 . 6.000 7.721 7.258 8.844 2.844 7 20 [******+**-**********] 2
239 1 51 LEU HA 1 61 ALA H 6.000 . 6.000 3.510 3.110 3.828 . 0 0 "[ . 1 . 2]" 2
240 1 50 TYR H 1 61 ALA H 6.000 . 6.000 6.297 5.578 6.784 0.784 17 12 "[ * .** **** -* +* *]" 2
241 1 64 PHE HA 1 67 ILE H 6.000 . 6.000 3.496 3.231 4.144 . 0 0 "[ . 1 . 2]" 2
242 1 65 GLY HA3 1 68 PHE H 6.000 . 6.000 5.175 4.720 5.422 . 0 0 "[ . 1 . 2]" 2
243 1 65 GLY H 1 66 ALA H 6.000 . 6.000 2.359 2.190 2.880 . 0 0 "[ . 1 . 2]" 2
244 1 79 GLU H 1 88 ARG H 6.000 . 6.000 2.666 2.058 3.334 . 0 0 "[ . 1 . 2]" 2
245 1 81 THR H 1 87 MET HA 6.000 . 6.000 3.667 2.606 4.132 . 0 0 "[ . 1 . 2]" 2
246 1 80 LEU HA 1 88 ARG H 6.000 . 6.000 3.679 3.053 4.285 . 0 0 "[ . 1 . 2]" 2
247 1 78 HIS HA 1 90 PHE H 6.000 . 6.000 3.055 2.330 3.628 . 0 0 "[ . 1 . 2]" 2
248 1 19 PHE HA 1 101 ILE H 6.000 . 6.000 2.828 2.137 3.278 . 0 0 "[ . 1 . 2]" 2
249 1 22 LYS H 1 98 GLY QA 6.000 . 6.000 6.075 5.731 6.418 0.418 6 0 "[ . 1 . 2]" 2
250 1 37 VAL HA 1 60 MET H 6.000 . 6.000 3.944 3.614 4.154 . 0 0 "[ . 1 . 2]" 2
251 1 38 ARG H 1 58 SER H 6.000 . 6.000 3.755 2.993 4.380 . 0 0 "[ . 1 . 2]" 2
252 1 38 ARG H 1 59 ALA HA 6.000 . 6.000 2.678 2.135 3.049 . 0 0 "[ . 1 . 2]" 2
253 1 111 LEU H 1 112 SER H 6.000 . 6.000 4.291 2.835 4.709 . 0 0 "[ . 1 . 2]" 2
254 1 3 ASN H 1 5 ARG H 6.000 . 6.000 4.690 3.786 5.536 . 0 0 "[ . 1 . 2]" 2
255 1 43 TRP HB2 1 45 THR H 6.000 . 6.000 5.689 5.389 6.570 0.570 17 1 "[ . 1 . + 2]" 2
256 1 6 VAL HB 1 7 ILE H 6.000 . 6.000 3.204 2.082 4.216 . 0 0 "[ . 1 . 2]" 2
257 1 10 LYS H 1 10 LYS HE3 6.000 . 6.000 5.334 3.151 6.415 0.415 6 0 "[ . 1 . 2]" 2
258 1 85 LYS H 1 85 LYS QE 6.000 . 6.000 4.663 3.094 5.375 . 0 0 "[ . 1 . 2]" 2
259 1 43 TRP HA 1 46 ALA H 6.000 . 6.000 3.952 3.635 4.155 . 0 0 "[ . 1 . 2]" 2
260 1 44 GLY HA3 1 48 GLU H 6.000 . 6.000 5.882 5.249 6.474 0.474 3 0 "[ . 1 . 2]" 2
261 1 66 ALA HA 1 69 ASN H 6.000 . 6.000 7.629 7.265 8.200 2.200 15 20 [-*************+*****] 2
262 1 25 GLU HA 1 95 ILE H 6.000 . 6.000 4.058 3.472 4.537 . 0 0 "[ . 1 . 2]" 2
263 1 18 VAL H 1 101 ILE H 6.000 . 6.000 3.973 3.672 4.243 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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
3 5 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 5 ARG H 3 5 ARG HD2 6.000 . 6.000 4.919 4.221 5.843 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 621
_Distance_constraint_stats_list.Viol_count 697
_Distance_constraint_stats_list.Viol_total 19127.871
_Distance_constraint_stats_list.Viol_max 15.814
_Distance_constraint_stats_list.Viol_rms 0.6481
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0770
_Distance_constraint_stats_list.Viol_average_violations_only 1.3722
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 34.634 4.017 14 19 [****.******-*+******]
1 2 PHE 59.914 4.017 14 20 [***-*********+******]
1 5 ARG 1.654 0.517 11 1 "[ . 1+ . 2]"
1 6 VAL 1.376 0.919 3 1 "[ + . 1 . 2]"
1 7 ILE 27.119 1.765 20 19 "[***-********* *****+]"
1 8 VAL 0.269 0.269 8 0 "[ . 1 . 2]"
1 9 LYS 7.255 0.836 20 3 "[ . -1 * +]"
1 10 LYS 1.970 0.602 18 1 "[ . 1 . + 2]"
1 11 SER 3.229 0.556 15 1 "[ . 1 + 2]"
1 12 PRO 6.977 0.784 20 3 "[ . 1 - * +]"
1 13 LEU 4.750 0.784 20 3 "[ . 1 - * +]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 1.970 0.602 18 1 "[ . 1 . + 2]"
1 18 VAL 6.658 0.593 2 4 "[ + - 1 **. 2]"
1 19 PHE 8.527 0.836 20 3 "[ . -1 * +]"
1 20 ALA 182.023 9.528 15 20 [*******-******+*****]
1 21 ARG 0.157 0.157 13 0 "[ . 1 . 2]"
1 22 LYS 4.725 0.662 11 2 "[ . 1+ . * 2]"
1 23 SER 20.332 0.841 4 6 "[ +* **1 - *2]"
1 24 PHE 11.051 0.662 11 6 "[ * * 1+ **. - 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 190.207 9.528 15 20 [**-***********+*****]
1 28 GLU 84.247 5.387 11 20 [********-*+*********]
1 29 LEU 0.215 0.112 7 0 "[ . 1 . 2]"
1 30 VAL 36.824 2.340 11 20 [*******-**+*********]
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.752 0.453 18 0 "[ . 1 . 2]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 7.339 0.772 8 7 "[* *** + 1 *. - 2]"
1 38 ARG 121.146 4.537 8 20 [******-+************]
1 39 HIS 2.245 0.293 1 0 "[ . 1 . 2]"
1 42 ASP 16.810 1.645 11 15 "[* * **-**1+** .*****]"
1 43 TRP 33.486 1.667 13 20 [************+****-**]
1 45 THR 0.059 0.059 12 0 "[ . 1 . 2]"
1 46 ALA 152.382 4.537 8 20 [*******+*-**********]
1 47 LEU 17.976 1.704 18 14 "[*** * -**1*** * *+ *]"
1 48 GLU 0.059 0.059 12 0 "[ . 1 . 2]"
1 49 ASP 24.793 1.797 7 20 [******+*********-***]
1 50 TYR 20.870 1.704 18 14 "[*** * -**1*** * *+ *]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 15.391 1.578 16 13 "[** *.-* 1** **+* **]"
1 57 MET 2.850 0.293 1 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ALA 4.001 0.699 3 3 "[ +-* 1 . 2]"
1 62 LEU 4.754 0.699 3 3 "[ +-* 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 5.634 1.176 9 4 "[* . *+1 - . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 11.250 1.028 15 14 "[ * ** - *1****+** **]"
1 68 PHE 34.404 2.340 11 20 [**-*******+*********]
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 1.069 0.728 16 1 "[ . 1 .+ 2]"
1 72 LYS 8.560 1.051 5 4 "[ + - *1 . *2]"
1 73 ASP 4.049 0.536 7 1 "[ . + 1 . 2]"
1 74 PRO 0.010 0.010 1 0 "[ . 1 . 2]"
1 75 ASN 1.201 0.775 1 1 "[+ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.621 0.253 4 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.148 0.128 16 0 "[ . 1 . 2]"
1 82 ALA 15.330 1.578 16 13 "[** *.-* 1** **+* **]"
1 83 GLY 0.784 0.723 18 1 "[ . 1 . + 2]"
1 84 LEU 1.144 0.211 5 0 "[ . 1 . 2]"
1 85 LYS 1.263 0.723 18 1 "[ . 1 . + 2]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.130 0.112 7 0 "[ . 1 . 2]"
1 89 ILE 12.145 1.028 15 14 "[ * ** - *1****+** **]"
1 90 PHE 0.559 0.253 4 0 "[ . 1 . 2]"
1 91 THR 0.062 0.062 1 0 "[ . 1 . 2]"
1 92 ILE 9.608 0.765 13 10 "[* - ** *1* + * **2]"
1 93 LYS 1.797 0.775 1 1 "[+ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 4.618 0.559 12 1 "[ . 1 + . 2]"
1 96 ALA 88.939 5.387 11 20 [********-*+*********]
1 97 ILE 15.176 0.841 4 6 "[ +* **1 - *2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLU 3.873 0.559 12 1 "[ . 1 + . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 THR 1.069 0.728 16 1 "[ . 1 .+ 2]"
1 103 ILE 0.895 0.423 3 0 "[ . 1 . 2]"
1 104 SER 0.010 0.010 1 0 "[ . 1 . 2]"
1 108 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 TYR 23.181 2.660 2 13 "[ + **** **- *.* ***]"
1 110 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LEU 28.723 2.660 2 13 "[ + -*** *** *.* ***]"
1 112 SER 218.309 15.814 5 20 [****+***************]
1 113 ARG 5.124 0.836 3 4 "[ + . * *. -2]"
1 114 PRO 5.675 0.836 3 5 "[ + . * **. -2]"
1 115 ARG 4.569 0.995 8 3 "[ -. + * . 2]"
1 116 LEU 39.018 3.250 14 16 "[** ** **** **+** **-]"
1 117 THR 0.083 0.083 5 0 "[ . 1 . 2]"
1 119 ASN 242.760 15.814 5 20 [****+**************-]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 76 ALA MB 1 91 THR HB 6.000 . 6.000 4.245 3.755 4.817 . 0 0 "[ . 1 . 2]" 4
2 1 53 SER HB3 1 58 SER HA 6.000 . 6.000 3.718 2.353 4.528 . 0 0 "[ . 1 . 2]" 4
3 1 53 SER HB2 1 58 SER HA 6.000 . 6.000 2.951 1.937 4.792 . 0 0 "[ . 1 . 2]" 4
4 1 74 PRO HG3 1 104 SER HB2 6.000 . 6.000 3.105 2.093 4.527 . 0 0 "[ . 1 . 2]" 4
5 1 23 SER HB3 1 96 ALA HA 6.000 . 6.000 4.092 2.718 5.301 . 0 0 "[ . 1 . 2]" 4
6 1 23 SER HB3 1 97 ILE HB 6.000 . 6.000 5.760 4.518 6.596 0.596 9 2 "[ - +1 . 2]" 4
7 1 23 SER HB3 1 96 ALA MB 6.000 . 6.000 5.378 4.197 6.437 0.437 11 0 "[ . 1 . 2]" 4
8 1 23 SER HB3 1 97 ILE MD 6.000 . 6.000 3.221 2.066 3.946 . 0 0 "[ . 1 . 2]" 4
9 1 45 THR HA 1 48 GLU QB 6.000 . 6.000 2.530 1.905 3.196 . 0 0 "[ . 1 . 2]" 4
10 1 91 THR HA 1 92 ILE MG 6.000 . 6.000 3.852 3.435 4.189 . 0 0 "[ . 1 . 2]" 4
11 1 37 VAL HA 1 59 ALA HA 6.000 . 6.000 2.401 1.944 2.796 . 0 0 "[ . 1 . 2]" 4
12 1 37 VAL HA 1 59 ALA MB 6.000 . 6.000 2.271 1.907 2.899 . 0 0 "[ . 1 . 2]" 4
13 1 37 VAL HA 1 84 LEU QD 6.000 . 6.000 3.244 2.494 3.571 . 0 0 "[ . 1 . 2]" 4
14 1 95 ILE HA 1 96 ALA MB 6.000 . 6.000 3.896 3.831 3.933 . 0 0 "[ . 1 . 2]" 4
15 1 26 LYS HG2 1 92 ILE HA 6.000 . 6.000 4.286 3.567 4.910 . 0 0 "[ . 1 . 2]" 4
16 1 48 GLU HA 1 51 LEU QD 6.000 . 6.000 3.006 2.533 3.233 . 0 0 "[ . 1 . 2]" 4
17 1 2 PHE HA 1 7 ILE HA 6.000 . 6.000 2.002 1.868 2.253 . 0 0 "[ . 1 . 2]" 4
18 1 108 ASP HB3 1 109 TYR HA 6.000 . 6.000 4.068 3.811 4.579 . 0 0 "[ . 1 . 2]" 4
19 1 109 TYR HA 1 110 TRP HB2 6.000 . 6.000 4.672 3.931 5.819 . 0 0 "[ . 1 . 2]" 4
20 1 6 VAL HA 1 7 ILE HB 6.000 . 6.000 4.326 4.168 4.481 . 0 0 "[ . 1 . 2]" 4
21 1 53 SER HA 1 58 SER HA 6.000 . 6.000 1.937 1.881 2.097 . 0 0 "[ . 1 . 2]" 4
22 1 23 SER HA 1 97 ILE HB 6.000 . 6.000 5.865 5.691 6.044 0.044 17 0 "[ . 1 . 2]" 4
23 1 53 SER HA 1 84 LEU QD 6.000 . 6.000 3.284 2.631 4.376 . 0 0 "[ . 1 . 2]" 4
24 1 59 ALA MB 1 84 LEU HA 6.000 . 6.000 3.859 3.230 4.514 . 0 0 "[ . 1 . 2]" 4
25 1 7 ILE MG 1 21 ARG HA 6.000 . 6.000 4.254 3.918 4.599 . 0 0 "[ . 1 . 2]" 4
26 1 80 LEU QD 1 84 LEU HA 6.000 . 6.000 2.178 1.799 2.651 . 0 0 "[ . 1 . 2]" 4
27 1 35 CYS HA 1 61 ALA HA 6.000 . 6.000 3.919 3.560 4.188 . 0 0 "[ . 1 . 2]" 4
28 1 1 MET HA 1 1 MET ME 6.000 . 6.000 3.366 2.449 4.287 . 0 0 "[ . 1 . 2]" 4
29 1 35 CYS HA 1 61 ALA MB 6.000 . 6.000 5.068 4.751 5.384 . 0 0 "[ . 1 . 2]" 4
30 1 78 HIS HB3 1 79 GLU HA 6.000 . 6.000 5.779 5.470 5.917 . 0 0 "[ . 1 . 2]" 4
31 1 34 LEU HA 1 86 ARG HA 6.000 . 6.000 2.282 1.946 2.677 . 0 0 "[ . 1 . 2]" 4
32 1 113 ARG HA 1 114 PRO QD 6.000 . 6.000 2.346 1.915 3.434 . 0 0 "[ . 1 . 2]" 4
33 1 26 LYS HB2 1 93 LYS HA 6.000 . 6.000 3.533 2.882 4.018 . 0 0 "[ . 1 . 2]" 4
34 1 20 ALA HA 1 95 ILE MG 6.000 . 6.000 4.127 3.743 4.313 . 0 0 "[ . 1 . 2]" 4
35 1 6 VAL QG 1 20 ALA HA 6.000 . 6.000 2.580 2.174 3.112 . 0 0 "[ . 1 . 2]" 4
36 1 20 ALA HA 1 101 ILE MD 6.000 . 6.000 2.260 1.894 2.772 . 0 0 "[ . 1 . 2]" 4
37 1 47 LEU HA 1 50 TYR HD2 6.000 . 6.000 5.596 4.828 6.457 0.457 18 0 "[ . 1 . 2]" 4
38 1 60 MET HA 1 60 MET ME 6.000 . 6.000 3.940 3.566 4.420 . 0 0 "[ . 1 . 2]" 4
39 1 69 ASN HA 1 102 THR MG 6.000 . 6.000 4.131 3.435 4.650 . 0 0 "[ . 1 . 2]" 4
40 1 51 LEU QD 1 60 MET HA 6.000 . 6.000 1.906 1.792 2.078 . 0 0 "[ . 1 . 2]" 4
41 1 76 ALA HA 1 91 THR HA 6.000 . 6.000 1.993 1.914 2.108 . 0 0 "[ . 1 . 2]" 4
42 1 76 ALA HA 1 91 THR MG 6.000 . 6.000 3.388 3.032 3.560 . 0 0 "[ . 1 . 2]" 4
43 1 76 ALA HA 1 92 ILE MD 6.000 . 6.000 4.144 3.445 5.098 . 0 0 "[ . 1 . 2]" 4
44 1 23 SER HA 1 96 ALA HA 6.000 . 6.000 5.124 4.835 5.453 . 0 0 "[ . 1 . 2]" 4
45 1 37 VAL QG 1 59 ALA HA 6.000 . 6.000 3.532 3.037 4.000 . 0 0 "[ . 1 . 2]" 4
46 1 61 ALA MB 1 65 GLY HA3 6.000 . 6.000 1.958 1.778 2.715 . 0 0 "[ . 1 . 2]" 4
47 1 34 LEU HB3 1 62 LEU MD1 6.000 . 6.000 4.189 2.729 6.228 0.228 20 0 "[ . 1 . 2]" 4
48 1 34 LEU HB2 1 62 LEU MD1 6.000 . 6.000 4.018 2.900 6.453 0.453 18 0 "[ . 1 . 2]" 4
49 1 34 LEU HA 1 86 ARG HD2 6.000 . 6.000 5.133 4.281 5.950 . 0 0 "[ . 1 . 2]" 4
50 1 79 GLU HB3 1 88 ARG HD3 6.000 . 6.000 3.328 1.917 4.754 . 0 0 "[ . 1 . 2]" 4
51 1 2 PHE HB2 1 7 ILE HB 6.000 . 6.000 3.519 2.666 4.056 . 0 0 "[ . 1 . 2]" 4
52 1 7 ILE HB 1 21 ARG HD2 6.000 . 6.000 3.351 1.982 4.567 . 0 0 "[ . 1 . 2]" 4
53 1 22 LYS HE3 1 24 PHE QD 6.000 . 6.000 5.365 3.017 6.662 0.662 11 1 "[ . 1+ . 2]" 4
54 1 9 LYS QE 1 19 PHE HD1 6.000 . 6.000 4.875 3.586 6.112 0.112 20 0 "[ . 1 . 2]" 4
55 1 7 ILE MD 1 9 LYS QE 6.000 . 6.000 2.281 1.910 2.987 . 0 0 "[ . 1 . 2]" 4
56 1 69 ASN QB 1 102 THR MG 6.000 . 6.000 2.003 1.680 2.449 . 0 0 "[ . 1 . 2]" 4
57 1 95 ILE MG 1 99 GLU HG2 6.000 . 6.000 3.332 2.852 3.894 . 0 0 "[ . 1 . 2]" 4
58 1 79 GLU QG 1 90 PHE QE 6.000 . 6.000 4.109 2.988 6.253 0.253 4 0 "[ . 1 . 2]" 4
59 1 57 MET HB2 1 84 LEU QD 6.000 . 6.000 3.935 3.357 4.357 . 0 0 "[ . 1 . 2]" 4
60 1 57 MET HB3 1 84 LEU QD 6.000 . 6.000 4.357 3.977 4.867 . 0 0 "[ . 1 . 2]" 4
61 1 45 THR HA 1 48 GLU QG 6.000 . 6.000 3.445 1.903 4.316 . 0 0 "[ . 1 . 2]" 4
62 1 28 GLU QB 1 91 THR MG 6.000 . 6.000 3.293 2.830 4.076 . 0 0 "[ . 1 . 2]" 4
63 1 96 ALA MB 1 99 GLU HB3 6.000 . 6.000 4.786 4.228 5.164 . 0 0 "[ . 1 . 2]" 4
64 1 95 ILE MG 1 99 GLU HB3 6.000 . 6.000 2.350 1.960 2.765 . 0 0 "[ . 1 . 2]" 4
65 1 22 LYS HA 1 97 ILE HG12 6.000 . 6.000 2.817 2.150 3.337 . 0 0 "[ . 1 . 2]" 4
66 1 26 LYS HD3 1 94 PRO HD3 6.000 . 6.000 4.008 2.630 4.872 . 0 0 "[ . 1 . 2]" 4
67 1 36 ILE HG13 1 62 LEU MD1 6.000 . 6.000 3.593 2.394 4.163 . 0 0 "[ . 1 . 2]" 4
68 1 29 LEU MD2 1 90 PHE QE 6.000 . 6.000 2.727 1.912 4.170 . 0 0 "[ . 1 . 2]" 4
69 1 59 ALA MB 1 84 LEU QB 6.000 . 6.000 2.445 1.802 3.529 . 0 0 "[ . 1 . 2]" 4
70 1 37 VAL QG 1 59 ALA MB 6.000 . 6.000 2.316 1.790 2.625 . 0 0 "[ . 1 . 2]" 4
71 1 59 ALA MB 1 84 LEU QD 6.000 . 6.000 1.800 1.662 1.981 . 0 0 "[ . 1 . 2]" 4
72 1 59 ALA MB 1 80 LEU QD 6.000 . 6.000 3.521 2.523 3.879 . 0 0 "[ . 1 . 2]" 4
73 1 91 THR MG 1 95 ILE HG13 6.000 . 6.000 3.264 1.996 3.852 . 0 0 "[ . 1 . 2]" 4
74 1 80 LEU QD 1 84 LEU QD 6.000 . 6.000 1.851 1.656 2.108 . 0 0 "[ . 1 . 2]" 4
75 1 51 LEU QD 1 58 SER HB2 6.000 . 6.000 2.991 2.546 3.842 . 0 0 "[ . 1 . 2]" 4
76 1 48 GLU QB 1 51 LEU QD 6.000 . 6.000 4.306 3.834 4.574 . 0 0 "[ . 1 . 2]" 4
77 1 46 ALA MB 1 47 LEU MD2 6.000 . 6.000 2.148 1.782 4.195 . 0 0 "[ . 1 . 2]" 4
78 1 34 LEU QD 1 86 ARG HD2 6.000 . 6.000 3.589 2.418 4.542 . 0 0 "[ . 1 . 2]" 4
79 1 29 LEU MD1 1 90 PHE QE 6.000 . 6.000 3.977 1.917 4.652 . 0 0 "[ . 1 . 2]" 4
80 1 29 LEU MD1 1 88 ARG HA 6.000 . 6.000 3.703 2.102 4.967 . 0 0 "[ . 1 . 2]" 4
81 1 29 LEU MD1 1 88 ARG HD3 6.000 . 6.000 4.746 2.736 5.944 . 0 0 "[ . 1 . 2]" 4
82 1 34 LEU QD 1 62 LEU HG 6.000 . 6.000 5.324 4.632 5.920 . 0 0 "[ . 1 . 2]" 4
83 1 34 LEU QD 1 86 ARG HG2 6.000 . 6.000 2.458 1.921 4.204 . 0 0 "[ . 1 . 2]" 4
84 1 29 LEU MD1 1 88 ARG HB3 6.000 . 6.000 3.437 1.999 6.112 0.112 7 0 "[ . 1 . 2]" 4
85 1 5 ARG HB3 1 6 VAL QG 6.000 . 6.000 2.499 2.158 3.195 . 0 0 "[ . 1 . 2]" 4
86 1 81 THR MG 1 86 ARG HB3 6.000 . 6.000 2.263 1.867 3.355 . 0 0 "[ . 1 . 2]" 4
87 1 18 VAL QG 1 68 PHE QE 6.000 . 6.000 2.367 1.852 3.367 . 0 0 "[ . 1 . 2]" 4
88 1 8 VAL HA 1 18 VAL QG 6.000 . 6.000 3.507 2.964 3.922 . 0 0 "[ . 1 . 2]" 4
89 1 37 VAL QG 1 85 LYS QE 6.000 . 6.000 2.835 2.127 3.354 . 0 0 "[ . 1 . 2]" 4
90 1 35 CYS HB2 1 37 VAL QG 6.000 . 6.000 3.941 3.231 4.284 . 0 0 "[ . 1 . 2]" 4
91 1 37 VAL QG 1 84 LEU QB 6.000 . 6.000 1.794 1.630 2.284 . 0 0 "[ . 1 . 2]" 4
92 1 76 ALA MB 1 91 THR HA 6.000 . 6.000 2.672 2.198 3.350 . 0 0 "[ . 1 . 2]" 4
93 1 76 ALA MB 1 103 ILE MG 6.000 . 6.000 3.048 2.441 3.702 . 0 0 "[ . 1 . 2]" 4
94 1 76 ALA MB 1 89 ILE MG 6.000 . 6.000 2.802 2.254 3.273 . 0 0 "[ . 1 . 2]" 4
95 1 30 VAL QG 1 89 ILE MG 6.000 . 6.000 2.391 1.694 2.675 . 0 0 "[ . 1 . 2]" 4
96 1 37 VAL QG 1 57 MET HB2 6.000 . 6.000 3.605 3.335 3.990 . 0 0 "[ . 1 . 2]" 4
97 1 37 VAL QG 1 84 LEU QD 6.000 . 6.000 2.218 1.759 2.676 . 0 0 "[ . 1 . 2]" 4
98 1 51 LEU QD 1 60 MET HB2 6.000 . 6.000 2.428 1.947 3.264 . 0 0 "[ . 1 . 2]" 4
99 1 37 VAL QG 1 84 LEU HG 6.000 . 6.000 3.304 2.001 4.006 . 0 0 "[ . 1 . 2]" 4
100 1 52 PHE QE 1 61 ALA MB 6.000 . 6.000 2.371 1.915 3.803 . 0 0 "[ . 1 . 2]" 4
101 1 23 SER HA 1 96 ALA MB 6.000 . 6.000 6.227 6.023 6.472 0.472 11 0 "[ . 1 . 2]" 4
102 1 96 ALA MB 1 99 GLU HG2 6.000 . 6.000 2.728 2.061 3.254 . 0 0 "[ . 1 . 2]" 4
103 1 60 MET HB2 1 62 LEU MD2 6.000 . 6.000 4.413 3.753 5.421 . 0 0 "[ . 1 . 2]" 4
104 1 95 ILE MG 1 96 ALA MB 6.000 . 6.000 3.603 3.390 3.869 . 0 0 "[ . 1 . 2]" 4
105 1 96 ALA MB 1 97 ILE MG 6.000 . 6.000 4.947 4.843 5.018 . 0 0 "[ . 1 . 2]" 4
106 1 61 ALA MB 1 62 LEU MD2 6.000 . 6.000 5.245 4.344 5.750 . 0 0 "[ . 1 . 2]" 4
107 1 20 ALA MB 1 99 GLU HA 6.000 . 6.000 4.252 3.834 4.609 . 0 0 "[ . 1 . 2]" 4
108 1 20 ALA MB 1 95 ILE MG 6.000 . 6.000 1.847 1.718 2.049 . 0 0 "[ . 1 . 2]" 4
109 1 20 ALA MB 1 24 PHE QD 6.000 . 6.000 3.019 2.450 3.614 . 0 0 "[ . 1 . 2]" 4
110 1 20 ALA MB 1 101 ILE HG13 6.000 . 6.000 1.962 1.830 2.362 . 0 0 "[ . 1 . 2]" 4
111 1 20 ALA MB 1 97 ILE HG13 6.000 . 6.000 5.875 5.584 6.271 0.271 13 0 "[ . 1 . 2]" 4
112 1 20 ALA MB 1 101 ILE HG12 6.000 . 6.000 2.474 2.029 2.813 . 0 0 "[ . 1 . 2]" 4
113 1 50 TYR HB2 1 60 MET ME 6.000 . 6.000 2.784 2.305 3.353 . 0 0 "[ . 1 . 2]" 4
114 1 6 VAL QG 1 68 PHE QE 6.000 . 6.000 5.138 4.301 6.919 0.919 3 1 "[ + . 1 . 2]" 4
115 1 77 ARG HA 1 92 ILE MG 6.000 . 6.000 3.929 3.553 4.325 . 0 0 "[ . 1 . 2]" 4
116 1 76 ALA HA 1 92 ILE MG 6.000 . 6.000 3.318 2.927 3.632 . 0 0 "[ . 1 . 2]" 4
117 1 77 ARG HD3 1 92 ILE MG 6.000 . 6.000 3.176 1.946 4.168 . 0 0 "[ . 1 . 2]" 4
118 1 77 ARG HD2 1 92 ILE MG 6.000 . 6.000 3.311 2.507 4.071 . 0 0 "[ . 1 . 2]" 4
119 1 77 ARG HB3 1 92 ILE MG 6.000 . 6.000 2.897 2.201 3.241 . 0 0 "[ . 1 . 2]" 4
120 1 77 ARG HB2 1 92 ILE MG 6.000 . 6.000 1.897 1.803 2.053 . 0 0 "[ . 1 . 2]" 4
121 1 52 PHE QD 1 87 MET ME 6.000 . 6.000 3.886 3.017 4.875 . 0 0 "[ . 1 . 2]" 4
122 1 52 PHE QE 1 87 MET ME 6.000 . 6.000 3.491 2.453 4.511 . 0 0 "[ . 1 . 2]" 4
123 1 64 PHE HA 1 67 ILE MG 6.000 . 6.000 3.374 2.568 5.422 . 0 0 "[ . 1 . 2]" 4
124 1 81 THR HA 1 82 ALA MB 6.000 . 6.000 4.004 3.601 4.277 . 0 0 "[ . 1 . 2]" 4
125 1 65 GLY HA2 1 87 MET ME 6.000 . 6.000 3.345 2.444 4.447 . 0 0 "[ . 1 . 2]" 4
126 1 16 TYR HB3 1 67 ILE MG 6.000 . 6.000 3.060 2.305 3.403 . 0 0 "[ . 1 . 2]" 4
127 1 46 ALA MB 1 47 LEU HG 6.000 . 6.000 4.281 3.074 4.550 . 0 0 "[ . 1 . 2]" 4
128 1 87 MET ME 1 89 ILE QG 6.000 . 6.000 3.300 2.646 3.843 . 0 0 "[ . 1 . 2]" 4
129 1 89 ILE MG 1 101 ILE MG 6.000 . 6.000 2.939 2.583 3.333 . 0 0 "[ . 1 . 2]" 4
130 1 57 MET HA 1 57 MET ME 6.000 . 6.000 4.258 4.025 4.560 . 0 0 "[ . 1 . 2]" 4
131 1 39 HIS HA 1 57 MET ME 6.000 . 6.000 4.170 3.145 4.630 . 0 0 "[ . 1 . 2]" 4
132 1 39 HIS HB3 1 57 MET ME 6.000 . 6.000 5.810 5.139 6.293 0.293 1 0 "[ . 1 . 2]" 4
133 1 57 MET ME 1 84 LEU QB 6.000 . 6.000 4.211 3.581 4.640 . 0 0 "[ . 1 . 2]" 4
134 1 37 VAL QG 1 57 MET ME 6.000 . 6.000 2.286 1.972 2.681 . 0 0 "[ . 1 . 2]" 4
135 1 57 MET ME 1 84 LEU QD 6.000 . 6.000 3.504 3.302 3.817 . 0 0 "[ . 1 . 2]" 4
136 1 22 LYS HA 1 97 ILE MG 6.000 . 6.000 3.631 3.402 3.852 . 0 0 "[ . 1 . 2]" 4
137 1 97 ILE MG 1 98 GLY QA 6.000 . 6.000 3.395 3.250 3.546 . 0 0 "[ . 1 . 2]" 4
138 1 20 ALA MB 1 97 ILE MG 6.000 . 6.000 5.362 5.141 5.574 . 0 0 "[ . 1 . 2]" 4
139 1 2 PHE HB3 1 7 ILE MG 6.000 . 6.000 4.908 4.279 5.683 . 0 0 "[ . 1 . 2]" 4
140 1 2 PHE HB2 1 7 ILE MG 6.000 . 6.000 4.797 4.271 5.223 . 0 0 "[ . 1 . 2]" 4
141 1 7 ILE MG 1 21 ARG HD2 6.000 . 6.000 2.728 1.907 3.934 . 0 0 "[ . 1 . 2]" 4
142 1 7 ILE MG 1 19 PHE HB2 6.000 . 6.000 1.963 1.789 2.367 . 0 0 "[ . 1 . 2]" 4
143 1 7 ILE MG 1 19 PHE HB3 6.000 . 6.000 2.004 1.803 2.433 . 0 0 "[ . 1 . 2]" 4
144 1 7 ILE MG 1 21 ARG HB2 6.000 . 6.000 3.251 2.356 3.815 . 0 0 "[ . 1 . 2]" 4
145 1 7 ILE MG 1 9 LYS HG3 6.000 . 6.000 2.675 2.060 4.469 . 0 0 "[ . 1 . 2]" 4
146 1 1 MET ME 1 8 VAL HB 6.000 . 6.000 3.884 2.578 4.480 . 0 0 "[ . 1 . 2]" 4
147 1 1 MET ME 1 8 VAL MG1 6.000 . 6.000 3.124 2.060 4.073 . 0 0 "[ . 1 . 2]" 4
148 1 24 PHE HB2 1 95 ILE MD 6.000 . 6.000 2.802 2.245 3.043 . 0 0 "[ . 1 . 2]" 4
149 1 76 ALA MB 1 101 ILE MD 6.000 . 6.000 3.557 3.087 3.980 . 0 0 "[ . 1 . 2]" 4
150 1 2 PHE HB3 1 7 ILE MD 6.000 . 6.000 2.851 1.998 3.367 . 0 0 "[ . 1 . 2]" 4
151 1 18 VAL QG 1 67 ILE MD 6.000 . 6.000 1.765 1.621 2.594 . 0 0 "[ . 1 . 2]" 4
152 1 91 THR HA 1 92 ILE MD 6.000 . 6.000 5.192 4.889 5.395 . 0 0 "[ . 1 . 2]" 4
153 1 22 LYS HA 1 97 ILE MD 6.000 . 6.000 3.928 3.722 4.110 . 0 0 "[ . 1 . 2]" 4
154 1 92 ILE MD 1 93 LYS HE2 6.000 . 6.000 3.403 2.105 5.113 . 0 0 "[ . 1 . 2]" 4
155 1 92 ILE MD 1 93 LYS HG3 6.000 . 6.000 3.438 1.880 4.781 . 0 0 "[ . 1 . 2]" 4
156 1 23 SER HB3 1 97 ILE HG12 6.000 . 6.000 4.510 3.494 5.220 . 0 0 "[ . 1 . 2]" 4
157 1 23 SER HA 1 97 ILE HG12 6.000 . 6.000 3.767 3.104 4.335 . 0 0 "[ . 1 . 2]" 4
158 1 23 SER HA 1 97 ILE MD 6.000 . 6.000 3.849 3.466 4.189 . 0 0 "[ . 1 . 2]" 4
159 1 20 ALA HA 1 24 PHE QE 6.000 . 6.000 3.351 2.599 3.977 . 0 0 "[ . 1 . 2]" 4
160 1 35 CYS HB3 1 37 VAL QG 6.000 . 6.000 3.961 3.374 4.636 . 0 0 "[ . 1 . 2]" 4
161 1 52 PHE HB2 1 59 ALA MB 6.000 . 6.000 3.435 2.954 4.105 . 0 0 "[ . 1 . 2]" 4
162 1 74 PRO HA 1 75 ASN HB3 6.000 . 6.000 5.498 4.355 5.784 . 0 0 "[ . 1 . 2]" 4
163 1 30 VAL QG 1 91 THR HB 6.000 . 6.000 4.136 3.921 4.531 . 0 0 "[ . 1 . 2]" 4
164 1 24 PHE QE 1 91 THR MG 6.000 . 6.000 4.267 3.684 4.832 . 0 0 "[ . 1 . 2]" 4
165 1 57 MET HA 1 84 LEU QD 6.000 . 6.000 4.863 4.216 5.438 . 0 0 "[ . 1 . 2]" 4
166 1 37 VAL QG 1 57 MET HB3 6.000 . 6.000 4.223 3.982 4.483 . 0 0 "[ . 1 . 2]" 4
167 1 39 HIS HA 1 57 MET HG2 6.000 . 6.000 5.246 4.531 5.652 . 0 0 "[ . 1 . 2]" 4
168 1 39 HIS HA 1 57 MET HG3 6.000 . 6.000 4.695 4.073 5.070 . 0 0 "[ . 1 . 2]" 4
169 1 57 MET HG2 1 84 LEU QD 6.000 . 6.000 2.270 1.844 2.903 . 0 0 "[ . 1 . 2]" 4
170 1 51 LEU HA 1 60 MET HA 6.000 . 6.000 2.160 1.925 2.369 . 0 0 "[ . 1 . 2]" 4
171 1 8 VAL HA 1 18 VAL HA 6.000 . 6.000 2.905 2.141 3.306 . 0 0 "[ . 1 . 2]" 4
172 1 2 PHE HB2 1 7 ILE HA 6.000 . 6.000 3.676 2.421 4.485 . 0 0 "[ . 1 . 2]" 4
173 1 7 ILE MG 1 18 VAL QG 6.000 . 6.000 3.993 3.364 4.632 . 0 0 "[ . 1 . 2]" 4
174 1 7 ILE MG 1 19 PHE HD1 6.000 . 6.000 4.266 3.882 4.568 . 0 0 "[ . 1 . 2]" 4
175 1 2 PHE HA 1 7 ILE MG 6.000 . 6.000 4.461 3.648 4.948 . 0 0 "[ . 1 . 2]" 4
176 1 7 ILE MG 1 19 PHE HA 6.000 . 6.000 3.948 3.721 4.125 . 0 0 "[ . 1 . 2]" 4
177 1 2 PHE HB3 1 7 ILE HB 6.000 . 6.000 4.119 3.189 4.766 . 0 0 "[ . 1 . 2]" 4
178 1 64 PHE HA 1 67 ILE MD 6.000 . 6.000 3.486 1.871 3.926 . 0 0 "[ . 1 . 2]" 4
179 1 2 PHE HB2 1 7 ILE MD 6.000 . 6.000 2.791 1.885 3.288 . 0 0 "[ . 1 . 2]" 4
180 1 9 LYS HD3 1 19 PHE HD1 6.000 . 6.000 4.360 2.808 6.715 0.715 15 1 "[ . 1 + 2]" 4
181 1 19 PHE HA 1 100 GLU HA 6.000 . 6.000 2.342 1.931 3.105 . 0 0 "[ . 1 . 2]" 4
182 1 24 PHE HA 1 95 ILE HB 6.000 . 6.000 4.887 4.625 5.241 . 0 0 "[ . 1 . 2]" 4
183 1 68 PHE HB2 1 103 ILE MG 6.000 . 6.000 4.108 3.142 4.979 . 0 0 "[ . 1 . 2]" 4
184 1 68 PHE HB3 1 103 ILE MG 6.000 . 6.000 3.186 2.225 3.953 . 0 0 "[ . 1 . 2]" 4
185 1 29 LEU HA 1 90 PHE HA 6.000 . 6.000 2.337 2.047 2.965 . 0 0 "[ . 1 . 2]" 4
186 1 90 PHE HA 1 91 THR MG 6.000 . 6.000 3.640 3.258 4.938 . 0 0 "[ . 1 . 2]" 4
187 1 30 VAL QG 1 90 PHE HA 6.000 . 6.000 3.032 2.324 3.487 . 0 0 "[ . 1 . 2]" 4
188 1 29 LEU MD1 1 90 PHE HA 6.000 . 6.000 4.115 3.177 6.103 0.103 11 0 "[ . 1 . 2]" 4
189 1 10 LYS HA 1 16 TYR HA 6.000 . 6.000 4.116 3.189 4.632 . 0 0 "[ . 1 . 2]" 4
190 1 87 MET HA 1 87 MET ME 6.000 . 6.000 3.689 3.363 4.004 . 0 0 "[ . 1 . 2]" 4
191 1 39 HIS HB2 1 57 MET ME 6.000 . 6.000 5.680 3.970 6.221 0.221 1 0 "[ . 1 . 2]" 4
192 1 50 TYR HB3 1 60 MET ME 6.000 . 6.000 3.888 3.422 4.851 . 0 0 "[ . 1 . 2]" 4
193 1 36 ILE MD 1 60 MET HB2 6.000 . 6.000 2.877 2.129 3.410 . 0 0 "[ . 1 . 2]" 4
194 1 26 LYS HB2 1 92 ILE HA 6.000 . 6.000 6.451 6.071 6.765 0.765 13 9 "[ - ** *1* + * **2]" 4
195 1 26 LYS QE 1 92 ILE HA 6.000 . 6.000 4.358 3.821 4.688 . 0 0 "[ . 1 . 2]" 4
196 1 91 THR HB 1 92 ILE HA 6.000 . 6.000 5.217 4.823 5.330 . 0 0 "[ . 1 . 2]" 4
197 1 74 PRO HB3 1 92 ILE MD 6.000 . 6.000 4.372 2.735 5.805 . 0 0 "[ . 1 . 2]" 4
198 1 26 LYS HG3 1 92 ILE HA 6.000 . 6.000 4.273 3.763 4.728 . 0 0 "[ . 1 . 2]" 4
199 1 96 ALA MB 1 97 ILE HA 6.000 . 6.000 4.440 4.354 4.527 . 0 0 "[ . 1 . 2]" 4
200 1 52 PHE QD 1 61 ALA MB 6.000 . 6.000 2.712 2.300 3.404 . 0 0 "[ . 1 . 2]" 4
201 1 74 PRO HB3 1 103 ILE HA 6.000 . 6.000 2.848 1.942 3.912 . 0 0 "[ . 1 . 2]" 4
202 1 6 VAL HA 1 18 VAL QG 6.000 . 6.000 4.279 3.886 4.537 . 0 0 "[ . 1 . 2]" 4
203 1 34 LEU QD 1 86 ARG HA 6.000 . 6.000 3.002 2.550 3.532 . 0 0 "[ . 1 . 2]" 4
204 1 97 ILE MD 1 98 GLY QA 6.000 . 6.000 5.563 5.091 5.761 . 0 0 "[ . 1 . 2]" 4
205 1 71 SER HA 1 102 THR MG 6.000 . 6.000 5.012 4.289 5.541 . 0 0 "[ . 1 . 2]" 4
206 1 2 PHE HA 1 6 VAL QG 6.000 . 6.000 4.675 3.756 5.330 . 0 0 "[ . 1 . 2]" 4
207 1 6 VAL HA 1 7 ILE MG 6.000 . 6.000 3.547 3.258 3.781 . 0 0 "[ . 1 . 2]" 4
208 1 31 GLU HG3 1 89 ILE MD 6.000 . 6.000 4.094 1.874 5.833 . 0 0 "[ . 1 . 2]" 4
209 1 78 HIS HA 1 89 ILE HA 6.000 . 6.000 2.170 1.936 2.633 . 0 0 "[ . 1 . 2]" 4
210 1 29 LEU HA 1 90 PHE QE 6.000 . 6.000 3.632 2.795 4.183 . 0 0 "[ . 1 . 2]" 4
211 1 29 LEU MD1 1 32 GLU HA 6.000 . 6.000 4.082 3.261 5.544 . 0 0 "[ . 1 . 2]" 4
212 1 60 MET HB3 1 62 LEU MD2 6.000 . 6.000 3.385 2.722 4.333 . 0 0 "[ . 1 . 2]" 4
213 1 35 CYS HA 1 62 LEU MD2 6.000 . 6.000 3.792 1.959 4.643 . 0 0 "[ . 1 . 2]" 4
214 1 1 MET HA 1 2 PHE HZ 6.000 . 6.000 7.640 6.223 10.017 4.017 14 19 [**-*.********+******] 4
215 1 1 MET HA 1 8 VAL HB 6.000 . 6.000 3.875 2.036 5.496 . 0 0 "[ . 1 . 2]" 4
216 1 80 LEU QD 1 87 MET HG3 6.000 . 6.000 2.565 1.905 3.966 . 0 0 "[ . 1 . 2]" 4
217 1 23 SER HA 1 97 ILE HA 6.000 . 6.000 4.503 3.944 4.874 . 0 0 "[ . 1 . 2]" 4
218 1 22 LYS HA 1 97 ILE HA 6.000 . 6.000 3.155 2.489 3.432 . 0 0 "[ . 1 . 2]" 4
219 1 21 ARG HA 1 97 ILE HA 6.000 . 6.000 3.503 3.215 3.790 . 0 0 "[ . 1 . 2]" 4
220 1 75 ASN HB3 1 95 ILE MD 6.000 . 6.000 3.223 1.959 4.206 . 0 0 "[ . 1 . 2]" 4
221 1 84 LEU QD 1 85 LYS QE 6.000 . 6.000 5.491 4.153 6.211 0.211 5 0 "[ . 1 . 2]" 4
222 1 6 VAL HB 1 18 VAL QG 6.000 . 6.000 3.246 2.011 4.303 . 0 0 "[ . 1 . 2]" 4
223 1 26 LYS HA 1 26 LYS QE 6.000 . 6.000 4.515 4.146 4.749 . 0 0 "[ . 1 . 2]" 4
224 1 26 LYS HB2 1 94 PRO HD3 6.000 . 6.000 2.022 1.883 2.509 . 0 0 "[ . 1 . 2]" 4
225 1 26 LYS HG2 1 94 PRO HD3 6.000 . 6.000 3.758 3.414 4.439 . 0 0 "[ . 1 . 2]" 4
226 1 30 VAL QG 1 68 PHE HA 6.000 . 6.000 7.674 7.194 8.340 2.340 11 20 [******-***+*********] 4
227 1 24 PHE QD 1 30 VAL QG 6.000 . 6.000 3.312 2.601 3.807 . 0 0 "[ . 1 . 2]" 4
228 1 24 PHE HZ 1 30 VAL QG 6.000 . 6.000 3.247 2.389 3.952 . 0 0 "[ . 1 . 2]" 4
229 1 24 PHE QE 1 30 VAL QG 6.000 . 6.000 2.928 2.528 3.499 . 0 0 "[ . 1 . 2]" 4
230 1 30 VAL QG 1 64 PHE QD 6.000 . 6.000 5.831 4.182 7.176 1.176 9 3 "[* . -+1 . 2]" 4
231 1 75 ASN HB2 1 95 ILE MD 6.000 . 6.000 3.158 2.749 4.030 . 0 0 "[ . 1 . 2]" 4
232 1 38 ARG QD 1 42 ASP QB 6.000 . 6.000 6.782 5.325 7.645 1.645 11 15 "[* * **-**1+** .*****]" 4
233 1 5 ARG HA 1 22 LYS HG3 6.000 . 6.000 3.263 2.005 4.730 . 0 0 "[ . 1 . 2]" 4
234 1 5 ARG HD2 1 24 PHE QE 6.000 . 6.000 2.880 2.103 4.379 . 0 0 "[ . 1 . 2]" 4
235 1 21 ARG HA 1 97 ILE MG 6.000 . 6.000 2.936 2.753 3.218 . 0 0 "[ . 1 . 2]" 4
236 1 81 THR HB 1 82 ALA MB 6.000 . 6.000 3.683 3.109 5.026 . 0 0 "[ . 1 . 2]" 4
237 1 64 PHE HA 1 67 ILE HB 6.000 . 6.000 4.998 4.602 5.531 . 0 0 "[ . 1 . 2]" 4
238 1 26 LYS HB3 1 94 PRO HG3 6.000 . 6.000 3.683 3.227 4.021 . 0 0 "[ . 1 . 2]" 4
239 1 45 THR HA 1 48 GLU HA 6.000 . 6.000 4.454 3.983 5.077 . 0 0 "[ . 1 . 2]" 4
240 1 81 THR HA 1 82 ALA HA 6.000 . 6.000 4.580 4.398 5.021 . 0 0 "[ . 1 . 2]" 4
241 1 35 CYS HA 1 62 LEU HG 6.000 . 6.000 3.244 2.323 4.652 . 0 0 "[ . 1 . 2]" 4
242 1 6 VAL HA 1 20 ALA HA 6.000 . 6.000 3.203 2.673 3.636 . 0 0 "[ . 1 . 2]" 4
243 1 6 VAL HA 1 21 ARG HA 6.000 . 6.000 5.151 4.553 5.989 . 0 0 "[ . 1 . 2]" 4
244 1 58 SER HA 1 59 ALA MB 6.000 . 6.000 3.815 3.697 3.998 . 0 0 "[ . 1 . 2]" 4
245 1 37 VAL HB 1 59 ALA MB 6.000 . 6.000 4.509 3.866 4.954 . 0 0 "[ . 1 . 2]" 4
246 1 53 SER HA 1 58 SER HB3 6.000 . 6.000 3.747 2.803 4.909 . 0 0 "[ . 1 . 2]" 4
247 1 58 SER HA 1 84 LEU QD 6.000 . 6.000 3.331 2.735 3.720 . 0 0 "[ . 1 . 2]" 4
248 1 5 ARG HD2 1 24 PHE HZ 6.000 . 6.000 3.029 1.942 4.516 . 0 0 "[ . 1 . 2]" 4
249 1 95 ILE MG 1 99 GLU HA 6.000 . 6.000 4.271 3.963 4.521 . 0 0 "[ . 1 . 2]" 4
250 1 25 GLU HB2 1 28 GLU QG 6.000 . 6.000 2.914 1.947 3.928 . 0 0 "[ . 1 . 2]" 4
251 1 95 ILE MG 1 99 GLU HG3 6.000 . 6.000 2.251 1.835 2.709 . 0 0 "[ . 1 . 2]" 4
252 1 2 PHE HA 1 7 ILE HB 6.000 . 6.000 3.419 2.064 4.261 . 0 0 "[ . 1 . 2]" 4
253 1 8 VAL HA 1 19 PHE HD1 6.000 . 6.000 5.394 4.876 6.269 0.269 8 0 "[ . 1 . 2]" 4
254 1 20 ALA MB 1 23 SER HA 6.000 . 6.000 5.920 5.773 6.121 0.121 11 0 "[ . 1 . 2]" 4
255 1 19 PHE HA 1 20 ALA MB 6.000 . 6.000 3.821 3.720 3.907 . 0 0 "[ . 1 . 2]" 4
256 1 85 LYS HA 1 85 LYS QE 6.000 . 6.000 3.816 2.442 4.668 . 0 0 "[ . 1 . 2]" 4
257 1 101 ILE MG 1 102 THR HA 6.000 . 6.000 3.560 3.287 3.835 . 0 0 "[ . 1 . 2]" 4
258 1 96 ALA MB 1 97 ILE MD 6.000 . 6.000 4.042 3.439 4.828 . 0 0 "[ . 1 . 2]" 4
259 1 51 LEU QD 1 58 SER HB3 6.000 . 6.000 2.941 1.935 3.853 . 0 0 "[ . 1 . 2]" 4
260 1 30 VAL HB 1 89 ILE MG 6.000 . 6.000 2.225 1.927 3.727 . 0 0 "[ . 1 . 2]" 4
261 1 2 PHE HB3 1 7 ILE HA 6.000 . 6.000 3.700 2.738 4.654 . 0 0 "[ . 1 . 2]" 4
262 1 43 TRP HZ2 1 46 ALA MB 6.000 . 6.000 7.259 6.884 7.667 1.667 13 20 [************+******-] 4
263 1 38 ARG QD 1 46 ALA MB 6.000 . 6.000 7.469 6.638 8.083 2.083 13 20 [*********-**+*******] 4
264 1 79 GLU HB2 1 90 PHE QE 6.000 . 6.000 3.825 2.455 5.995 . 0 0 "[ . 1 . 2]" 4
265 1 79 GLU HB3 1 90 PHE QE 6.000 . 6.000 3.462 2.661 5.493 . 0 0 "[ . 1 . 2]" 4
266 1 68 PHE QE 1 101 ILE MD 6.000 . 6.000 4.246 3.597 5.421 . 0 0 "[ . 1 . 2]" 4
267 1 45 THR MG 1 46 ALA MB 6.000 . 6.000 3.926 3.705 4.314 . 0 0 "[ . 1 . 2]" 4
268 1 16 TYR HB2 1 67 ILE MG 6.000 . 6.000 4.395 3.592 4.795 . 0 0 "[ . 1 . 2]" 4
269 1 24 PHE HB3 1 95 ILE MD 6.000 . 6.000 3.526 2.720 3.814 . 0 0 "[ . 1 . 2]" 4
270 1 30 VAL QG 1 91 THR HA 6.000 . 6.000 3.741 3.331 4.093 . 0 0 "[ . 1 . 2]" 4
271 1 91 THR HA 1 95 ILE MD 6.000 . 6.000 3.394 3.084 3.830 . 0 0 "[ . 1 . 2]" 4
272 1 45 THR HB 1 48 GLU QG 6.000 . 6.000 5.463 4.555 6.059 0.059 12 0 "[ . 1 . 2]" 4
273 1 45 THR HB 1 48 GLU QB 6.000 . 6.000 5.077 4.378 5.386 . 0 0 "[ . 1 . 2]" 4
274 1 81 THR MG 1 86 ARG HD2 6.000 . 6.000 3.360 2.490 4.491 . 0 0 "[ . 1 . 2]" 4
275 1 81 THR MG 1 86 ARG HD3 6.000 . 6.000 3.467 2.261 4.304 . 0 0 "[ . 1 . 2]" 4
276 1 79 GLU QG 1 81 THR MG 6.000 . 6.000 4.827 3.841 6.128 0.128 16 0 "[ . 1 . 2]" 4
277 1 81 THR MG 1 86 ARG HA 6.000 . 6.000 4.205 3.772 4.538 . 0 0 "[ . 1 . 2]" 4
278 1 80 LEU HA 1 81 THR MG 6.000 . 6.000 4.031 3.446 5.373 . 0 0 "[ . 1 . 2]" 4
279 1 18 VAL QG 1 101 ILE HB 6.000 . 6.000 1.945 1.760 2.595 . 0 0 "[ . 1 . 2]" 4
280 1 78 HIS HB2 1 103 ILE MD 6.000 . 6.000 4.563 3.897 5.502 . 0 0 "[ . 1 . 2]" 4
281 1 68 PHE HB3 1 103 ILE MD 6.000 . 6.000 3.222 2.512 3.876 . 0 0 "[ . 1 . 2]" 4
282 1 65 GLY HA3 1 89 ILE MD 6.000 . 6.000 4.837 3.889 5.494 . 0 0 "[ . 1 . 2]" 4
283 1 61 ALA MB 1 65 GLY HA2 6.000 . 6.000 3.313 3.071 4.076 . 0 0 "[ . 1 . 2]" 4
284 1 26 LYS HB3 1 93 LYS HA 6.000 . 6.000 4.699 4.291 5.224 . 0 0 "[ . 1 . 2]" 4
285 1 93 LYS HA 1 94 PRO HD3 6.000 . 6.000 2.067 1.945 2.709 . 0 0 "[ . 1 . 2]" 4
286 1 20 ALA HA 1 24 PHE QD 6.000 . 6.000 4.482 4.018 5.001 . 0 0 "[ . 1 . 2]" 4
287 1 20 ALA MB 1 101 ILE MD 6.000 . 6.000 2.086 1.803 2.564 . 0 0 "[ . 1 . 2]" 4
288 1 20 ALA MB 1 97 ILE HA 6.000 . 6.000 4.281 4.085 4.521 . 0 0 "[ . 1 . 2]" 4
289 1 20 ALA MB 1 95 ILE HA 6.000 . 6.000 4.843 4.610 5.015 . 0 0 "[ . 1 . 2]" 4
290 1 38 ARG QG 1 46 ALA HA 6.000 . 6.000 9.748 8.981 10.537 4.537 8 20 [****-**+************] 4
291 1 46 ALA HA 1 47 LEU MD1 6.000 . 6.000 4.921 4.152 5.343 . 0 0 "[ . 1 . 2]" 4
292 1 46 ALA HA 1 49 ASP QB 6.000 . 6.000 7.095 6.660 7.797 1.797 7 20 [******+*********-***] 4
293 1 43 TRP HZ3 1 46 ALA MB 6.000 . 6.000 5.233 4.738 5.519 . 0 0 "[ . 1 . 2]" 4
294 1 59 ALA HA 1 84 LEU QD 6.000 . 6.000 3.586 2.922 3.992 . 0 0 "[ . 1 . 2]" 4
295 1 35 CYS HB2 1 59 ALA MB 6.000 . 6.000 3.868 2.467 4.429 . 0 0 "[ . 1 . 2]" 4
296 1 35 CYS HB3 1 59 ALA MB 6.000 . 6.000 3.007 2.279 4.020 . 0 0 "[ . 1 . 2]" 4
297 1 35 CYS HA 1 59 ALA MB 6.000 . 6.000 4.924 4.567 5.217 . 0 0 "[ . 1 . 2]" 4
298 1 35 CYS HB2 1 61 ALA HA 6.000 . 6.000 4.880 3.654 5.227 . 0 0 "[ . 1 . 2]" 4
299 1 76 ALA MB 1 101 ILE MG 6.000 . 6.000 1.930 1.710 2.174 . 0 0 "[ . 1 . 2]" 4
300 1 28 GLU QG 1 96 ALA MB 6.000 . 6.000 10.179 9.335 11.387 5.387 11 20 [********-*+*********] 4
301 1 23 SER HB3 1 97 ILE MG 6.000 . 6.000 5.695 4.895 6.318 0.318 3 0 "[ . 1 . 2]" 4
302 1 71 SER HB3 1 102 THR MG 6.000 . 6.000 4.021 2.867 4.707 . 0 0 "[ . 1 . 2]" 4
303 1 71 SER HB2 1 102 THR HB 6.000 . 6.000 3.510 2.805 4.520 . 0 0 "[ . 1 . 2]" 4
304 1 71 SER HB2 1 102 THR MG 6.000 . 6.000 3.376 2.441 4.230 . 0 0 "[ . 1 . 2]" 4
305 1 71 SER HB2 1 102 THR HA 6.000 . 6.000 5.685 5.017 6.728 0.728 16 1 "[ . 1 .+ 2]" 4
306 1 103 ILE HA 1 104 SER HB2 6.000 . 6.000 4.502 4.012 5.686 . 0 0 "[ . 1 . 2]" 4
307 1 111 LEU QD 1 112 SER HB3 6.000 . 6.000 4.176 2.725 5.072 . 0 0 "[ . 1 . 2]" 4
308 1 11 SER HB3 1 19 PHE HZ 6.000 . 6.000 3.641 2.462 4.889 . 0 0 "[ . 1 . 2]" 4
309 1 33 CYS HB3 1 63 GLY HA3 6.000 . 6.000 2.511 2.062 3.299 . 0 0 "[ . 1 . 2]" 4
310 1 49 ASP QB 1 50 TYR QE 6.000 . 6.000 3.279 2.630 3.768 . 0 0 "[ . 1 . 2]" 4
311 1 73 ASP HA 1 74 PRO HD2 6.000 . 6.000 2.205 1.933 2.649 . 0 0 "[ . 1 . 2]" 4
312 1 73 ASP HA 1 74 PRO HD3 6.000 . 6.000 2.912 2.321 3.208 . 0 0 "[ . 1 . 2]" 4
313 1 24 PHE HA 1 28 GLU QB 6.000 . 6.000 3.836 3.054 4.246 . 0 0 "[ . 1 . 2]" 4
314 1 24 PHE HB3 1 28 GLU QB 6.000 . 6.000 2.993 2.304 3.619 . 0 0 "[ . 1 . 2]" 4
315 1 28 GLU QB 1 30 VAL QG 6.000 . 6.000 3.581 3.117 4.160 . 0 0 "[ . 1 . 2]" 4
316 1 96 ALA MB 1 99 GLU HG3 6.000 . 6.000 2.823 1.924 3.257 . 0 0 "[ . 1 . 2]" 4
317 1 95 ILE MD 1 99 GLU HG2 6.000 . 6.000 6.033 5.404 6.559 0.559 12 1 "[ . 1 + . 2]" 4
318 1 95 ILE MD 1 99 GLU HG3 6.000 . 6.000 4.925 4.174 5.532 . 0 0 "[ . 1 . 2]" 4
319 1 45 THR MG 1 48 GLU QG 6.000 . 6.000 3.784 3.099 4.290 . 0 0 "[ . 1 . 2]" 4
320 1 79 GLU QG 1 90 PHE QD 6.000 . 6.000 4.295 3.136 5.781 . 0 0 "[ . 1 . 2]" 4
321 1 79 GLU QG 1 80 LEU HA 6.000 . 6.000 4.142 3.671 4.373 . 0 0 "[ . 1 . 2]" 4
322 1 79 GLU QG 1 88 ARG HD3 6.000 . 6.000 3.998 2.727 5.155 . 0 0 "[ . 1 . 2]" 4
323 1 42 ASP HA 1 45 THR HB 6.000 . 6.000 2.642 2.225 3.579 . 0 0 "[ . 1 . 2]" 4
324 1 81 THR MG 1 86 ARG HG2 6.000 . 6.000 4.076 2.999 4.666 . 0 0 "[ . 1 . 2]" 4
325 1 26 LYS HA 1 91 THR HB 6.000 . 6.000 3.894 3.365 4.359 . 0 0 "[ . 1 . 2]" 4
326 1 91 THR HB 1 95 ILE MD 6.000 . 6.000 2.960 2.654 3.902 . 0 0 "[ . 1 . 2]" 4
327 1 24 PHE HB3 1 91 THR MG 6.000 . 6.000 2.546 1.957 2.982 . 0 0 "[ . 1 . 2]" 4
328 1 24 PHE HB2 1 91 THR MG 6.000 . 6.000 3.007 2.124 3.416 . 0 0 "[ . 1 . 2]" 4
329 1 30 VAL QG 1 91 THR MG 6.000 . 6.000 1.832 1.670 2.419 . 0 0 "[ . 1 . 2]" 4
330 1 102 THR HB 1 103 ILE H 6.000 . 6.000 2.864 2.046 4.358 . 0 0 "[ . 1 . 2]" 4
331 1 39 HIS HD2 1 57 MET HA 6.000 . 6.000 3.969 3.338 4.668 . 0 0 "[ . 1 . 2]" 4
332 1 37 VAL QG 1 38 ARG HA 6.000 . 6.000 3.770 3.557 3.991 . 0 0 "[ . 1 . 2]" 4
333 1 37 VAL QG 1 57 MET HG3 6.000 . 6.000 2.389 1.919 2.941 . 0 0 "[ . 1 . 2]" 4
334 1 57 MET HG3 1 84 LEU QD 6.000 . 6.000 2.333 1.898 2.850 . 0 0 "[ . 1 . 2]" 4
335 1 37 VAL QG 1 57 MET HG2 6.000 . 6.000 3.620 2.825 4.228 . 0 0 "[ . 1 . 2]" 4
336 1 57 MET ME 1 84 LEU HG 6.000 . 6.000 5.709 4.961 6.161 0.161 2 0 "[ . 1 . 2]" 4
337 1 78 HIS HB3 1 87 MET ME 6.000 . 6.000 3.078 2.552 3.623 . 0 0 "[ . 1 . 2]" 4
338 1 78 HIS HB2 1 87 MET ME 6.000 . 6.000 2.175 1.895 2.751 . 0 0 "[ . 1 . 2]" 4
339 1 87 MET ME 1 89 ILE MD 6.000 . 6.000 3.884 2.938 4.602 . 0 0 "[ . 1 . 2]" 4
340 1 1 MET HA 1 2 PHE QD 6.000 . 6.000 4.697 3.935 5.985 . 0 0 "[ . 1 . 2]" 4
341 1 1 MET QB 1 8 VAL MG1 6.000 . 6.000 3.136 1.870 5.076 . 0 0 "[ . 1 . 2]" 4
342 1 6 VAL HA 1 24 PHE HZ 6.000 . 6.000 4.897 4.303 5.500 . 0 0 "[ . 1 . 2]" 4
343 1 6 VAL QG 1 64 PHE QE 6.000 . 6.000 5.016 2.841 6.457 0.457 9 0 "[ . 1 . 2]" 4
344 1 6 VAL QG 1 64 PHE QD 6.000 . 6.000 4.930 3.482 5.660 . 0 0 "[ . 1 . 2]" 4
345 1 8 VAL MG1 1 9 LYS HA 6.000 . 6.000 3.782 3.397 3.999 . 0 0 "[ . 1 . 2]" 4
346 1 37 VAL QG 1 43 TRP HH2 6.000 . 6.000 6.348 5.631 6.772 0.772 8 7 "[* *** + 1 *. - 2]" 4
347 1 8 VAL MG1 1 18 VAL HA 6.000 . 6.000 4.943 3.727 5.931 . 0 0 "[ . 1 . 2]" 4
348 1 18 VAL QG 1 68 PHE QD 6.000 . 6.000 2.769 2.326 3.553 . 0 0 "[ . 1 . 2]" 4
349 1 18 VAL QG 1 67 ILE HA 6.000 . 6.000 5.232 4.808 5.884 . 0 0 "[ . 1 . 2]" 4
350 1 18 VAL QG 1 67 ILE HG13 6.000 . 6.000 3.898 3.613 4.598 . 0 0 "[ . 1 . 2]" 4
351 1 18 VAL QG 1 67 ILE MG 6.000 . 6.000 4.216 2.820 4.815 . 0 0 "[ . 1 . 2]" 4
352 1 30 VAL QG 1 101 ILE MD 6.000 . 6.000 2.291 1.747 2.601 . 0 0 "[ . 1 . 2]" 4
353 1 37 VAL QG 1 57 MET HA 6.000 . 6.000 5.487 5.200 5.842 . 0 0 "[ . 1 . 2]" 4
354 1 37 VAL QG 1 85 LYS HA 6.000 . 6.000 2.690 2.257 3.221 . 0 0 "[ . 1 . 2]" 4
355 1 29 LEU MD2 1 32 GLU HA 6.000 . 6.000 4.654 3.358 5.521 . 0 0 "[ . 1 . 2]" 4
356 1 34 LEU QD 1 86 ARG HD3 6.000 . 6.000 3.576 2.864 4.201 . 0 0 "[ . 1 . 2]" 4
357 1 47 LEU HA 1 50 TYR QE 6.000 . 6.000 6.807 5.673 7.704 1.704 18 14 "[*** * -**1*** * *+ *]" 4
358 1 43 TRP HB2 1 51 LEU QD 6.000 . 6.000 4.856 4.458 5.238 . 0 0 "[ . 1 . 2]" 4
359 1 51 LEU QD 1 60 MET ME 6.000 . 6.000 2.746 2.015 3.771 . 0 0 "[ . 1 . 2]" 4
360 1 61 ALA MB 1 62 LEU HA 6.000 . 6.000 4.796 4.134 5.054 . 0 0 "[ . 1 . 2]" 4
361 1 61 ALA HA 1 62 LEU MD2 6.000 . 6.000 5.599 4.474 6.617 0.617 5 2 "[ -+ 1 . 2]" 4
362 1 36 ILE MD 1 62 LEU MD2 6.000 . 6.000 1.915 1.641 3.054 . 0 0 "[ . 1 . 2]" 4
363 1 52 PHE QD 1 80 LEU QD 6.000 . 6.000 3.894 3.267 4.682 . 0 0 "[ . 1 . 2]" 4
364 1 52 PHE QE 1 80 LEU QD 6.000 . 6.000 5.042 4.149 5.945 . 0 0 "[ . 1 . 2]" 4
365 1 52 PHE HB2 1 80 LEU QD 6.000 . 6.000 3.837 2.762 4.407 . 0 0 "[ . 1 . 2]" 4
366 1 52 PHE HB3 1 80 LEU QD 6.000 . 6.000 3.338 2.686 3.861 . 0 0 "[ . 1 . 2]" 4
367 1 79 GLU HB3 1 80 LEU QD 6.000 . 6.000 5.450 4.877 5.830 . 0 0 "[ . 1 . 2]" 4
368 1 80 LEU HG 1 84 LEU QD 6.000 . 6.000 4.130 3.782 4.532 . 0 0 "[ . 1 . 2]" 4
369 1 80 LEU HA 1 84 LEU QD 6.000 . 6.000 4.965 4.363 5.426 . 0 0 "[ . 1 . 2]" 4
370 1 116 LEU QB 1 117 THR HA 6.000 . 6.000 4.257 3.812 4.789 . 0 0 "[ . 1 . 2]" 4
371 1 116 LEU QB 1 119 ASN QB 6.000 . 6.000 7.250 2.747 9.250 3.250 14 15 "[** ** **** **+** * -]" 4
372 1 111 LEU HG 1 112 SER HA 6.000 . 6.000 5.017 4.245 6.198 0.198 8 0 "[ . 1 . 2]" 4
373 1 2 PHE QD 1 7 ILE HA 6.000 . 6.000 4.927 3.618 5.339 . 0 0 "[ . 1 . 2]" 4
374 1 2 PHE QE 1 7 ILE HB 6.000 . 6.000 7.188 3.977 7.765 1.765 20 19 "[***-********* *****+]" 4
375 1 2 PHE HA 1 7 ILE QG 6.000 . 6.000 2.537 1.923 3.414 . 0 0 "[ . 1 . 2]" 4
376 1 7 ILE MG 1 9 LYS QE 6.000 . 6.000 2.466 1.854 3.392 . 0 0 "[ . 1 . 2]" 4
377 1 2 PHE HA 1 7 ILE MD 6.000 . 6.000 3.776 2.587 4.618 . 0 0 "[ . 1 . 2]" 4
378 1 64 PHE QE 1 67 ILE MD 6.000 . 6.000 4.564 3.787 5.317 . 0 0 "[ . 1 . 2]" 4
379 1 18 VAL QG 1 67 ILE HB 6.000 . 6.000 3.536 2.298 4.422 . 0 0 "[ . 1 . 2]" 4
380 1 88 ARG HG2 1 90 PHE QE 6.000 . 6.000 4.029 2.224 5.081 . 0 0 "[ . 1 . 2]" 4
381 1 29 LEU MD1 1 88 ARG HG2 6.000 . 6.000 3.625 1.840 4.487 . 0 0 "[ . 1 . 2]" 4
382 1 78 HIS HA 1 89 ILE QG 6.000 . 6.000 3.270 2.587 3.618 . 0 0 "[ . 1 . 2]" 4
383 1 78 HIS HB3 1 89 ILE QG 6.000 . 6.000 3.442 2.917 4.127 . 0 0 "[ . 1 . 2]" 4
384 1 78 HIS HB2 1 89 ILE QG 6.000 . 6.000 3.742 3.225 4.252 . 0 0 "[ . 1 . 2]" 4
385 1 43 TRP HA 1 46 ALA MB 6.000 . 6.000 2.999 2.238 3.394 . 0 0 "[ . 1 . 2]" 4
386 1 78 HIS HA 1 89 ILE MD 6.000 . 6.000 4.918 4.299 5.227 . 0 0 "[ . 1 . 2]" 4
387 1 65 GLY HA2 1 89 ILE MD 6.000 . 6.000 3.901 3.128 4.396 . 0 0 "[ . 1 . 2]" 4
388 1 68 PHE QE 1 89 ILE MG 6.000 . 6.000 3.043 2.397 3.400 . 0 0 "[ . 1 . 2]" 4
389 1 42 ASP QB 1 46 ALA MB 6.000 . 6.000 3.718 3.477 4.042 . 0 0 "[ . 1 . 2]" 4
390 1 32 GLU HA 1 89 ILE MD 6.000 . 6.000 3.297 2.815 3.768 . 0 0 "[ . 1 . 2]" 4
391 1 78 HIS HB3 1 89 ILE MD 6.000 . 6.000 4.875 4.295 5.450 . 0 0 "[ . 1 . 2]" 4
392 1 78 HIS HB2 1 89 ILE MD 6.000 . 6.000 5.155 4.550 5.527 . 0 0 "[ . 1 . 2]" 4
393 1 26 LYS HA 1 92 ILE HA 6.000 . 6.000 4.760 4.241 5.352 . 0 0 "[ . 1 . 2]" 4
394 1 26 LYS HG3 1 94 PRO HD3 6.000 . 6.000 2.317 1.948 3.490 . 0 0 "[ . 1 . 2]" 4
395 1 24 PHE QD 1 91 THR MG 6.000 . 6.000 3.126 2.486 3.562 . 0 0 "[ . 1 . 2]" 4
396 1 74 PRO HG3 1 92 ILE MD 6.000 . 6.000 4.599 3.739 5.793 . 0 0 "[ . 1 . 2]" 4
397 1 24 PHE HB3 1 95 ILE HB 6.000 . 6.000 3.705 3.145 4.310 . 0 0 "[ . 1 . 2]" 4
398 1 24 PHE HB2 1 95 ILE HB 6.000 . 6.000 2.099 1.905 2.586 . 0 0 "[ . 1 . 2]" 4
399 1 91 THR HB 1 95 ILE MG 6.000 . 6.000 5.478 5.093 6.062 0.062 1 0 "[ . 1 . 2]" 4
400 1 95 ILE MG 1 101 ILE HA 6.000 . 6.000 4.666 4.326 5.232 . 0 0 "[ . 1 . 2]" 4
401 1 75 ASN HB3 1 95 ILE MG 6.000 . 6.000 4.099 3.135 5.014 . 0 0 "[ . 1 . 2]" 4
402 1 24 PHE HB3 1 95 ILE MG 6.000 . 6.000 5.014 4.318 5.605 . 0 0 "[ . 1 . 2]" 4
403 1 24 PHE HB2 1 95 ILE MG 6.000 . 6.000 3.634 2.914 4.205 . 0 0 "[ . 1 . 2]" 4
404 1 95 ILE MG 1 101 ILE HG12 6.000 . 6.000 3.336 2.927 3.616 . 0 0 "[ . 1 . 2]" 4
405 1 23 SER HA 1 97 ILE HG13 6.000 . 6.000 3.122 2.824 3.465 . 0 0 "[ . 1 . 2]" 4
406 1 23 SER HB2 1 97 ILE HB 6.000 . 6.000 5.442 4.606 6.841 0.841 4 4 "[ +. * 1 - *2]" 4
407 1 76 ALA HA 1 101 ILE MG 6.000 . 6.000 4.347 3.935 4.638 . 0 0 "[ . 1 . 2]" 4
408 1 18 VAL QG 1 101 ILE MD 6.000 . 6.000 2.067 1.910 2.388 . 0 0 "[ . 1 . 2]" 4
409 1 24 PHE QD 1 95 ILE MD 6.000 . 6.000 2.509 1.924 3.044 . 0 0 "[ . 1 . 2]" 4
410 1 74 PRO HB2 1 103 ILE HA 6.000 . 6.000 3.473 2.291 5.516 . 0 0 "[ . 1 . 2]" 4
411 1 88 ARG HA 1 89 ILE MD 6.000 . 6.000 4.232 3.541 4.618 . 0 0 "[ . 1 . 2]" 4
412 1 68 PHE QD 1 103 ILE MG 6.000 . 6.000 2.784 2.177 3.100 . 0 0 "[ . 1 . 2]" 4
413 1 77 ARG HA 1 103 ILE MG 6.000 . 6.000 2.417 1.921 3.261 . 0 0 "[ . 1 . 2]" 4
414 1 78 HIS HB2 1 103 ILE MG 6.000 . 6.000 4.516 4.064 5.119 . 0 0 "[ . 1 . 2]" 4
415 1 77 ARG HB3 1 103 ILE MG 6.000 . 6.000 4.747 4.155 5.271 . 0 0 "[ . 1 . 2]" 4
416 1 101 ILE MG 1 103 ILE MG 6.000 . 6.000 3.412 2.677 3.668 . 0 0 "[ . 1 . 2]" 4
417 1 89 ILE MG 1 103 ILE MG 6.000 . 6.000 3.371 2.916 3.944 . 0 0 "[ . 1 . 2]" 4
418 1 68 PHE HB2 1 103 ILE MD 6.000 . 6.000 3.468 2.606 4.315 . 0 0 "[ . 1 . 2]" 4
419 1 89 ILE QG 1 103 ILE MD 6.000 . 6.000 5.562 4.211 6.423 0.423 3 0 "[ . 1 . 2]" 4
420 1 76 ALA HA 1 92 ILE HG13 6.000 . 6.000 3.960 2.373 4.882 . 0 0 "[ . 1 . 2]" 4
421 1 9 LYS HB2 1 19 PHE HD1 6.000 . 6.000 2.400 1.967 2.939 . 0 0 "[ . 1 . 2]" 4
422 1 9 LYS HG3 1 19 PHE HD1 6.000 . 6.000 3.682 2.269 5.530 . 0 0 "[ . 1 . 2]" 4
423 1 9 LYS HG2 1 19 PHE HD1 6.000 . 6.000 4.703 3.858 5.571 . 0 0 "[ . 1 . 2]" 4
424 1 7 ILE MG 1 21 ARG HB3 6.000 . 6.000 4.698 3.898 5.271 . 0 0 "[ . 1 . 2]" 4
425 1 20 ALA HA 1 26 LYS QE 6.000 . 6.000 15.060 13.878 15.528 9.528 15 20 [*******-******+*****] 4
426 1 26 LYS QE 1 94 PRO HD3 6.000 . 6.000 3.907 2.640 4.874 . 0 0 "[ . 1 . 2]" 4
427 1 22 LYS HA 1 97 ILE HG13 6.000 . 6.000 2.721 2.338 3.294 . 0 0 "[ . 1 . 2]" 4
428 1 81 THR MG 1 86 ARG HB2 6.000 . 6.000 2.261 1.807 3.104 . 0 0 "[ . 1 . 2]" 4
429 1 34 LEU QD 1 86 ARG HB2 6.000 . 6.000 4.064 3.307 5.054 . 0 0 "[ . 1 . 2]" 4
430 1 26 LYS HB3 1 94 PRO HD3 6.000 . 6.000 3.584 3.268 4.025 . 0 0 "[ . 1 . 2]" 4
431 1 26 LYS HB3 1 94 PRO HG2 6.000 . 6.000 4.996 4.482 5.336 . 0 0 "[ . 1 . 2]" 4
432 1 26 LYS HB2 1 94 PRO HG2 6.000 . 6.000 3.370 2.821 3.759 . 0 0 "[ . 1 . 2]" 4
433 1 26 LYS HD3 1 93 LYS HA 6.000 . 6.000 4.694 3.467 5.344 . 0 0 "[ . 1 . 2]" 4
434 1 26 LYS HD3 1 94 PRO HG3 6.000 . 6.000 4.881 3.750 5.691 . 0 0 "[ . 1 . 2]" 4
435 1 35 CYS HB3 1 85 LYS HA 6.000 . 6.000 4.671 3.855 5.833 . 0 0 "[ . 1 . 2]" 4
436 1 83 GLY QA 1 85 LYS QE 6.000 . 6.000 4.561 2.812 6.723 0.723 18 1 "[ . 1 . + 2]" 4
437 1 84 LEU QB 1 85 LYS QE 6.000 . 6.000 4.577 2.810 5.444 . 0 0 "[ . 1 . 2]" 4
438 1 5 ARG HB3 1 24 PHE HZ 6.000 . 6.000 2.407 1.937 4.039 . 0 0 "[ . 1 . 2]" 4
439 1 5 ARG HB3 1 24 PHE QE 6.000 . 6.000 3.575 2.363 4.855 . 0 0 "[ . 1 . 2]" 4
440 1 79 GLU HB2 1 88 ARG HD3 6.000 . 6.000 4.592 3.235 6.018 0.018 3 0 "[ . 1 . 2]" 4
441 1 32 GLU HB3 1 88 ARG HA 6.000 . 6.000 2.788 2.146 4.705 . 0 0 "[ . 1 . 2]" 4
442 1 32 GLU HA 1 88 ARG HA 6.000 . 6.000 2.411 1.940 3.052 . 0 0 "[ . 1 . 2]" 4
443 1 88 ARG HB3 1 90 PHE QE 6.000 . 6.000 3.104 2.263 4.666 . 0 0 "[ . 1 . 2]" 4
444 1 79 GLU HB2 1 88 ARG HB3 6.000 . 6.000 4.387 3.221 5.484 . 0 0 "[ . 1 . 2]" 4
445 1 26 LYS HB2 1 94 PRO HG3 6.000 . 6.000 2.199 1.932 2.984 . 0 0 "[ . 1 . 2]" 4
446 1 9 LYS HB3 1 19 PHE HA 6.000 . 6.000 5.835 4.775 6.410 0.410 13 0 "[ . 1 . 2]" 4
447 1 24 PHE HA 1 25 GLU HB3 6.000 . 6.000 5.316 5.023 5.643 . 0 0 "[ . 1 . 2]" 4
448 1 24 PHE HA 1 95 ILE MG 6.000 . 6.000 5.851 5.138 6.287 0.287 17 0 "[ . 1 . 2]" 4
449 1 18 VAL QG 1 64 PHE HB3 6.000 . 6.000 3.156 2.157 4.452 . 0 0 "[ . 1 . 2]" 4
450 1 10 LYS QB 1 16 TYR HA 6.000 . 6.000 3.929 2.864 4.619 . 0 0 "[ . 1 . 2]" 4
451 1 2 PHE HB3 1 7 ILE QG 6.000 . 6.000 2.272 1.927 3.468 . 0 0 "[ . 1 . 2]" 4
452 1 6 VAL QG 1 20 ALA MB 6.000 . 6.000 3.418 2.964 3.985 . 0 0 "[ . 1 . 2]" 4
453 1 19 PHE HD1 1 100 GLU HA 6.000 . 6.000 3.781 2.926 4.377 . 0 0 "[ . 1 . 2]" 4
454 1 25 GLU HA 1 94 PRO HG2 6.000 . 6.000 4.607 3.650 5.710 . 0 0 "[ . 1 . 2]" 4
455 1 43 TRP HA 1 46 ALA HA 6.000 . 6.000 5.885 5.279 6.283 0.283 4 0 "[ . 1 . 2]" 4
456 1 43 TRP HB3 1 51 LEU QD 6.000 . 6.000 4.472 3.999 4.953 . 0 0 "[ . 1 . 2]" 4
457 1 49 ASP HA 1 50 TYR HB3 6.000 . 6.000 6.048 5.776 6.468 0.468 3 0 "[ . 1 . 2]" 4
458 1 18 VAL HB 1 68 PHE QD 6.000 . 6.000 4.068 3.003 5.903 . 0 0 "[ . 1 . 2]" 4
459 1 18 VAL HB 1 68 PHE QE 6.000 . 6.000 3.620 1.967 5.752 . 0 0 "[ . 1 . 2]" 4
460 1 95 ILE MD 1 99 GLU HB3 6.000 . 6.000 4.141 3.497 4.786 . 0 0 "[ . 1 . 2]" 4
461 1 100 GLU HA 1 101 ILE HG13 6.000 . 6.000 3.647 3.374 3.867 . 0 0 "[ . 1 . 2]" 4
462 1 42 ASP HA 1 45 THR MG 6.000 . 6.000 3.883 3.338 4.955 . 0 0 "[ . 1 . 2]" 4
463 1 116 LEU QD 1 117 THR MG 6.000 . 6.000 5.418 4.237 6.083 0.083 5 0 "[ . 1 . 2]" 4
464 1 68 PHE QD 1 101 ILE HB 6.000 . 6.000 4.712 3.831 5.875 . 0 0 "[ . 1 . 2]" 4
465 1 11 SER HA 1 19 PHE HZ 6.000 . 6.000 5.125 3.906 6.488 0.488 5 0 "[ . 1 . 2]" 4
466 1 11 SER HA 1 12 PRO HD3 6.000 . 6.000 2.718 2.114 4.180 . 0 0 "[ . 1 . 2]" 4
467 1 11 SER HA 1 12 PRO HD2 6.000 . 6.000 3.327 2.633 4.297 . 0 0 "[ . 1 . 2]" 4
468 1 36 ILE MD 1 62 LEU MD1 6.000 . 6.000 3.306 1.663 3.877 . 0 0 "[ . 1 . 2]" 4
469 1 81 THR MG 1 82 ALA MB 6.000 . 6.000 4.270 2.302 4.812 . 0 0 "[ . 1 . 2]" 4
470 1 37 VAL QG 1 85 LYS HG3 6.000 . 6.000 3.231 1.954 5.077 . 0 0 "[ . 1 . 2]" 4
471 1 113 ARG HG3 1 114 PRO QD 6.000 . 6.000 4.141 2.918 5.060 . 0 0 "[ . 1 . 2]" 4
472 1 113 ARG HB3 1 114 PRO QD 6.000 . 6.000 3.430 1.923 4.355 . 0 0 "[ . 1 . 2]" 4
473 1 114 PRO HA 1 115 ARG HB2 6.000 . 6.000 4.545 3.741 5.948 . 0 0 "[ . 1 . 2]" 4
474 1 113 ARG HB3 1 114 PRO HG2 6.000 . 6.000 5.623 3.362 6.836 0.836 3 4 "[ + . * *. -2]" 4
475 1 113 ARG HB2 1 114 PRO QD 6.000 . 6.000 3.848 2.002 4.378 . 0 0 "[ . 1 . 2]" 4
476 1 10 LYS QB 1 16 TYR HE1 6.000 . 6.000 4.206 2.022 6.602 0.602 18 1 "[ . 1 . + 2]" 4
477 1 75 ASN HA 1 93 LYS HG3 6.000 . 6.000 2.945 2.420 4.209 . 0 0 "[ . 1 . 2]" 4
478 1 75 ASN HA 1 92 ILE HG13 6.000 . 6.000 3.057 2.354 3.900 . 0 0 "[ . 1 . 2]" 4
479 1 75 ASN HA 1 92 ILE MD 6.000 . 6.000 2.965 1.894 3.679 . 0 0 "[ . 1 . 2]" 4
480 1 75 ASN HA 1 92 ILE HG12 6.000 . 6.000 3.481 2.341 4.553 . 0 0 "[ . 1 . 2]" 4
481 1 10 LYS HA 1 16 TYR HD1 6.000 . 6.000 5.211 4.112 6.332 0.332 14 0 "[ . 1 . 2]" 4
482 1 61 ALA HA 1 62 LEU MD1 6.000 . 6.000 6.021 5.692 6.699 0.699 3 1 "[ + . 1 . 2]" 4
483 1 115 ARG HG2 1 116 LEU QD 6.000 . 6.000 5.770 3.701 6.995 0.995 8 3 "[ -. + * . 2]" 4
484 1 43 TRP HZ3 1 47 LEU MD2 6.000 . 6.000 2.785 2.071 3.250 . 0 0 "[ . 1 . 2]" 4
485 1 43 TRP HE3 1 46 ALA MB 6.000 . 6.000 4.261 3.853 4.524 . 0 0 "[ . 1 . 2]" 4
486 1 6 VAL HA 1 21 ARG HB2 6.000 . 6.000 3.026 2.392 3.917 . 0 0 "[ . 1 . 2]" 4
487 1 6 VAL QG 1 21 ARG HB2 6.000 . 6.000 4.171 3.725 4.743 . 0 0 "[ . 1 . 2]" 4
488 1 7 ILE MG 1 21 ARG HD3 6.000 . 6.000 3.153 2.041 4.545 . 0 0 "[ . 1 . 2]" 4
489 1 7 ILE MD 1 21 ARG HD2 6.000 . 6.000 3.335 2.482 4.165 . 0 0 "[ . 1 . 2]" 4
490 1 7 ILE MD 1 21 ARG HD3 6.000 . 6.000 3.720 3.062 4.849 . 0 0 "[ . 1 . 2]" 4
491 1 11 SER HA 1 12 PRO HG2 6.000 . 6.000 5.122 4.679 6.065 0.065 15 0 "[ . 1 . 2]" 4
492 1 11 SER HA 1 12 PRO HG3 6.000 . 6.000 4.764 4.108 6.123 0.123 5 0 "[ . 1 . 2]" 4
493 1 12 PRO HG2 1 13 LEU HB2 6.000 . 6.000 5.032 3.204 6.411 0.411 18 0 "[ . 1 . 2]" 4
494 1 12 PRO HD2 1 19 PHE HZ 6.000 . 6.000 3.401 2.812 4.346 . 0 0 "[ . 1 . 2]" 4
495 1 12 PRO HD3 1 19 PHE HZ 6.000 . 6.000 3.833 2.672 4.602 . 0 0 "[ . 1 . 2]" 4
496 1 12 PRO HG3 1 19 PHE HZ 6.000 . 6.000 4.748 1.991 5.587 . 0 0 "[ . 1 . 2]" 4
497 1 12 PRO HG2 1 19 PHE HZ 6.000 . 6.000 4.351 2.800 5.471 . 0 0 "[ . 1 . 2]" 4
498 1 93 LYS HB2 1 94 PRO HD3 6.000 . 6.000 4.005 3.006 5.227 . 0 0 "[ . 1 . 2]" 4
499 1 11 SER HB2 1 19 PHE HZ 6.000 . 6.000 3.306 2.551 5.075 . 0 0 "[ . 1 . 2]" 4
500 1 5 ARG HA 1 22 LYS HD2 6.000 . 6.000 2.651 1.937 3.844 . 0 0 "[ . 1 . 2]" 4
501 1 39 HIS HA 1 57 MET HA 6.000 . 6.000 3.146 2.127 3.567 . 0 0 "[ . 1 . 2]" 4
502 1 73 ASP HA 1 74 PRO HG3 6.000 . 6.000 4.708 4.452 4.973 . 0 0 "[ . 1 . 2]" 4
503 1 80 LEU QD 1 87 MET HB3 6.000 . 6.000 4.021 1.914 4.744 . 0 0 "[ . 1 . 2]" 4
504 1 93 LYS HB3 1 94 PRO HD3 6.000 . 6.000 3.984 3.123 4.524 . 0 0 "[ . 1 . 2]" 4
505 1 93 LYS HG3 1 94 PRO HD3 6.000 . 6.000 5.196 4.573 5.981 . 0 0 "[ . 1 . 2]" 4
506 1 75 ASN HB2 1 93 LYS HG3 6.000 . 6.000 4.872 2.560 6.775 0.775 1 1 "[+ . 1 . 2]" 4
507 1 92 ILE HG13 1 93 LYS HG3 6.000 . 6.000 2.911 1.943 5.284 . 0 0 "[ . 1 . 2]" 4
508 1 92 ILE HG12 1 93 LYS HG3 6.000 . 6.000 4.093 3.353 6.596 0.596 1 1 "[+ . 1 . 2]" 4
509 1 18 VAL QG 1 24 PHE HZ 6.000 . 6.000 6.308 5.704 6.593 0.593 2 4 "[ + - 1 **. 2]" 4
510 1 75 ASN HA 1 95 ILE MD 6.000 . 6.000 4.598 3.718 5.276 . 0 0 "[ . 1 . 2]" 4
511 1 24 PHE QD 1 28 GLU QG 6.000 . 6.000 3.970 2.478 5.229 . 0 0 "[ . 1 . 2]" 4
512 1 24 PHE QE 1 28 GLU QG 6.000 . 6.000 5.459 4.236 6.458 0.458 11 0 "[ . 1 . 2]" 4
513 1 111 LEU HB3 1 112 SER HB3 6.000 . 6.000 5.350 4.079 6.989 0.989 11 2 "[ - 1+ . 2]" 4
514 1 114 PRO HB3 1 116 LEU QD 6.000 . 6.000 4.500 2.055 6.761 0.761 13 1 "[ . 1 + . 2]" 4
515 1 23 SER HB2 1 96 ALA HA 6.000 . 6.000 3.752 3.174 4.423 . 0 0 "[ . 1 . 2]" 4
516 1 22 LYS HD3 1 24 PHE QE 6.000 . 6.000 3.341 2.446 4.853 . 0 0 "[ . 1 . 2]" 4
517 1 2 PHE HB2 1 7 ILE QG 6.000 . 6.000 2.785 2.190 3.554 . 0 0 "[ . 1 . 2]" 4
518 1 29 LEU MD2 1 88 ARG HA 6.000 . 6.000 3.641 2.102 5.103 . 0 0 "[ . 1 . 2]" 4
519 1 74 PRO HG3 1 104 SER HB3 6.000 . 6.000 3.982 2.168 6.010 0.010 1 0 "[ . 1 . 2]" 4
520 1 52 PHE HA 1 80 LEU QD 6.000 . 6.000 5.262 4.531 5.803 . 0 0 "[ . 1 . 2]" 4
521 1 22 LYS HA 1 97 ILE HB 6.000 . 6.000 5.039 4.790 5.231 . 0 0 "[ . 1 . 2]" 4
522 1 6 VAL HA 1 101 ILE MD 6.000 . 6.000 3.983 3.548 4.454 . 0 0 "[ . 1 . 2]" 4
523 1 1 MET QG 1 64 PHE QE 6.000 . 6.000 4.485 1.939 7.138 1.138 12 1 "[ . 1 + . 2]" 4
524 1 36 ILE MG 1 43 TRP HH2 6.000 . 6.000 2.427 1.897 3.110 . 0 0 "[ . 1 . 2]" 4
525 1 23 SER HB3 1 97 ILE HA 6.000 . 6.000 5.398 4.240 6.299 0.299 6 0 "[ . 1 . 2]" 4
526 1 1 MET QB 1 64 PHE QE 6.000 . 6.000 5.094 3.937 6.554 0.554 12 1 "[ . 1 + . 2]" 4
527 1 22 LYS HE3 1 24 PHE QE 6.000 . 6.000 4.350 2.340 5.289 . 0 0 "[ . 1 . 2]" 4
528 1 22 LYS HE3 1 24 PHE HZ 6.000 . 6.000 4.798 3.285 5.511 . 0 0 "[ . 1 . 2]" 4
529 1 5 ARG HA 1 22 LYS HE3 6.000 . 6.000 3.522 2.189 4.978 . 0 0 "[ . 1 . 2]" 4
530 1 5 ARG HD2 1 22 LYS HE3 6.000 . 6.000 4.815 3.069 6.436 0.436 13 0 "[ . 1 . 2]" 4
531 1 22 LYS HE2 1 24 PHE QE 6.000 . 6.000 4.176 2.066 5.165 . 0 0 "[ . 1 . 2]" 4
532 1 22 LYS HE2 1 24 PHE HZ 6.000 . 6.000 4.514 3.374 5.487 . 0 0 "[ . 1 . 2]" 4
533 1 22 LYS HE2 1 24 PHE QD 6.000 . 6.000 5.232 2.861 6.544 0.544 17 1 "[ . 1 . + 2]" 4
534 1 5 ARG HA 1 22 LYS HE2 6.000 . 6.000 3.182 1.942 4.850 . 0 0 "[ . 1 . 2]" 4
535 1 6 VAL HA 1 21 ARG HB3 6.000 . 6.000 4.163 2.997 5.128 . 0 0 "[ . 1 . 2]" 4
536 1 5 ARG HA 1 6 VAL QG 6.000 . 6.000 3.638 3.468 3.988 . 0 0 "[ . 1 . 2]" 4
537 1 2 PHE QE 1 7 ILE QG 6.000 . 6.000 5.895 5.252 6.428 0.428 1 0 "[ . 1 . 2]" 4
538 1 9 LYS HD3 1 19 PHE HB3 6.000 . 6.000 4.854 3.112 5.634 . 0 0 "[ . 1 . 2]" 4
539 1 9 LYS HD3 1 19 PHE HB2 6.000 . 6.000 4.180 2.062 4.836 . 0 0 "[ . 1 . 2]" 4
540 1 12 PRO HG3 1 13 LEU HB2 6.000 . 6.000 6.033 4.893 6.784 0.784 20 3 "[ . 1 - * +]" 4
541 1 11 SER HA 1 12 PRO HB2 6.000 . 6.000 5.784 5.326 6.556 0.556 15 1 "[ . 1 + 2]" 4
542 1 13 LEU HB2 1 14 GLY HA2 6.000 . 6.000 5.464 4.877 5.897 . 0 0 "[ . 1 . 2]" 4
543 1 13 LEU HB3 1 14 GLY HA2 6.000 . 6.000 4.697 3.986 5.504 . 0 0 "[ . 1 . 2]" 4
544 1 14 GLY HA2 1 15 GLY HA3 6.000 . 6.000 4.634 4.423 4.952 . 0 0 "[ . 1 . 2]" 4
545 1 14 GLY HA2 1 15 GLY HA2 6.000 . 6.000 4.622 4.382 5.071 . 0 0 "[ . 1 . 2]" 4
546 1 18 VAL QG 1 101 ILE HA 6.000 . 6.000 4.211 3.793 4.843 . 0 0 "[ . 1 . 2]" 4
547 1 9 LYS QE 1 19 PHE HA 6.000 . 6.000 5.710 4.512 6.836 0.836 20 2 "[ . -1 . +]" 4
548 1 19 PHE HA 1 101 ILE MD 6.000 . 6.000 4.325 3.657 4.939 . 0 0 "[ . 1 . 2]" 4
549 1 29 LEU HB3 1 30 VAL HA 6.000 . 6.000 4.788 4.203 5.084 . 0 0 "[ . 1 . 2]" 4
550 1 29 LEU HB2 1 90 PHE QE 6.000 . 6.000 2.892 2.071 3.490 . 0 0 "[ . 1 . 2]" 4
551 1 29 LEU HB2 1 90 PHE QD 6.000 . 6.000 4.031 3.450 4.855 . 0 0 "[ . 1 . 2]" 4
552 1 29 LEU HB3 1 90 PHE QE 6.000 . 6.000 4.463 3.751 5.080 . 0 0 "[ . 1 . 2]" 4
553 1 29 LEU HG 1 90 PHE QE 6.000 . 6.000 4.090 2.136 4.808 . 0 0 "[ . 1 . 2]" 4
554 1 29 LEU MD2 1 30 VAL HA 6.000 . 6.000 4.999 3.703 5.535 . 0 0 "[ . 1 . 2]" 4
555 1 26 LYS HA 1 94 PRO HG3 6.000 . 6.000 3.578 2.952 4.260 . 0 0 "[ . 1 . 2]" 4
556 1 26 LYS HA 1 94 PRO HG2 6.000 . 6.000 4.917 4.298 5.534 . 0 0 "[ . 1 . 2]" 4
557 1 24 PHE HA 1 95 ILE MD 6.000 . 6.000 5.362 4.706 5.580 . 0 0 "[ . 1 . 2]" 4
558 1 23 SER HA 1 97 ILE MG 6.000 . 6.000 4.962 4.688 5.184 . 0 0 "[ . 1 . 2]" 4
559 1 22 LYS HA 1 23 SER HA 6.000 . 6.000 2.088 2.026 2.141 . 0 0 "[ . 1 . 2]" 4
560 1 33 CYS HB2 1 63 GLY HA3 6.000 . 6.000 2.192 1.935 2.928 . 0 0 "[ . 1 . 2]" 4
561 1 47 LEU MD1 1 51 LEU QD 6.000 . 6.000 3.192 2.559 3.604 . 0 0 "[ . 1 . 2]" 4
562 1 37 VAL HA 1 57 MET ME 6.000 . 6.000 4.834 4.258 5.415 . 0 0 "[ . 1 . 2]" 4
563 1 35 CYS HB3 1 61 ALA HA 6.000 . 6.000 3.920 3.445 4.428 . 0 0 "[ . 1 . 2]" 4
564 1 64 PHE HA 1 67 ILE HG12 6.000 . 6.000 2.643 2.074 4.240 . 0 0 "[ . 1 . 2]" 4
565 1 67 ILE MD 1 68 PHE HA 6.000 . 6.000 2.850 2.437 5.311 . 0 0 "[ . 1 . 2]" 4
566 1 67 ILE HA 1 68 PHE HA 6.000 . 6.000 4.944 4.862 5.002 . 0 0 "[ . 1 . 2]" 4
567 1 67 ILE HA 1 68 PHE HB2 6.000 . 6.000 5.386 5.223 5.541 . 0 0 "[ . 1 . 2]" 4
568 1 70 HIS HD2 1 71 SER HA 6.000 . 6.000 4.300 2.880 5.018 . 0 0 "[ . 1 . 2]" 4
569 1 72 LYS HA 1 116 LEU QB 6.000 . 6.000 5.625 3.261 7.051 1.051 5 3 "[ + *1 . -2]" 4
570 1 34 LEU HA 1 86 ARG HG2 6.000 . 6.000 3.246 1.943 5.441 . 0 0 "[ . 1 . 2]" 4
571 1 79 GLU HA 1 80 LEU HA 6.000 . 6.000 4.497 4.470 4.572 . 0 0 "[ . 1 . 2]" 4
572 1 76 ALA HA 1 92 ILE HG12 6.000 . 6.000 2.770 2.242 3.696 . 0 0 "[ . 1 . 2]" 4
573 1 34 LEU QD 1 81 THR MG 6.000 . 6.000 5.041 4.563 5.404 . 0 0 "[ . 1 . 2]" 4
574 1 82 ALA MB 1 83 GLY QA 6.000 . 6.000 3.836 3.426 4.087 . 0 0 "[ . 1 . 2]" 4
575 1 95 ILE MD 1 99 GLU HB2 6.000 . 6.000 4.404 3.781 5.193 . 0 0 "[ . 1 . 2]" 4
576 1 95 ILE MG 1 99 GLU HB2 6.000 . 6.000 2.033 1.853 2.392 . 0 0 "[ . 1 . 2]" 4
577 1 96 ALA MB 1 99 GLU HB2 6.000 . 6.000 3.961 2.794 4.514 . 0 0 "[ . 1 . 2]" 4
578 1 21 ARG HA 1 97 ILE HG13 6.000 . 6.000 5.525 5.102 6.157 0.157 13 0 "[ . 1 . 2]" 4
579 1 21 ARG HA 1 97 ILE HG12 6.000 . 6.000 5.161 4.763 5.739 . 0 0 "[ . 1 . 2]" 4
580 1 23 SER HB2 1 97 ILE MD 6.000 . 6.000 3.021 2.004 4.394 . 0 0 "[ . 1 . 2]" 4
581 1 23 SER HB2 1 97 ILE MG 6.000 . 6.000 5.501 4.816 6.621 0.621 4 1 "[ +. 1 . 2]" 4
582 1 97 ILE MG 1 99 GLU H 6.000 . 6.000 4.732 4.499 4.974 . 0 0 "[ . 1 . 2]" 4
583 1 96 ALA HA 1 97 ILE HA 6.000 . 6.000 4.401 4.373 4.411 . 0 0 "[ . 1 . 2]" 4
584 1 95 ILE MG 1 96 ALA HA 6.000 . 6.000 3.960 3.858 4.067 . 0 0 "[ . 1 . 2]" 4
585 1 23 SER HA 1 95 ILE MG 6.000 . 6.000 5.465 4.950 5.699 . 0 0 "[ . 1 . 2]" 4
586 1 24 PHE QE 1 95 ILE HB 6.000 . 6.000 4.987 4.401 5.600 . 0 0 "[ . 1 . 2]" 4
587 1 26 LYS HA 1 94 PRO HA 6.000 . 6.000 3.457 2.941 4.208 . 0 0 "[ . 1 . 2]" 4
588 1 111 LEU HG 1 112 SER HB3 6.000 . 6.000 5.081 2.670 6.932 0.932 18 3 "[ . * 1 .- + 2]" 4
589 1 37 VAL HB 1 59 ALA HA 6.000 . 6.000 5.371 4.919 5.691 . 0 0 "[ . 1 . 2]" 4
590 1 37 VAL HB 1 84 LEU QD 6.000 . 6.000 4.681 4.094 5.121 . 0 0 "[ . 1 . 2]" 4
591 1 22 LYS HD2 1 24 PHE QE 6.000 . 6.000 3.441 2.392 4.910 . 0 0 "[ . 1 . 2]" 4
592 1 5 ARG HA 1 22 LYS HD3 6.000 . 6.000 3.259 1.965 4.451 . 0 0 "[ . 1 . 2]" 4
593 1 22 LYS HB3 1 97 ILE MD 6.000 . 6.000 5.514 5.134 6.026 0.026 11 0 "[ . 1 . 2]" 4
594 1 47 LEU MD2 1 51 LEU QD 6.000 . 6.000 3.347 1.871 3.887 . 0 0 "[ . 1 . 2]" 4
595 1 80 LEU QD 1 87 MET ME 6.000 . 6.000 3.442 2.224 3.953 . 0 0 "[ . 1 . 2]" 4
596 1 36 ILE HB 1 60 MET HA 6.000 . 6.000 4.369 4.138 4.634 . 0 0 "[ . 1 . 2]" 4
597 1 68 PHE QE 1 89 ILE QG 6.000 . 6.000 2.622 1.909 3.472 . 0 0 "[ . 1 . 2]" 4
598 1 72 LYS HA 1 116 LEU QD 6.000 . 6.000 3.172 1.912 3.909 . 0 0 "[ . 1 . 2]" 4
599 1 72 LYS HA 1 73 ASP HB3 6.000 . 6.000 5.896 4.789 6.536 0.536 7 1 "[ . + 1 . 2]" 4
600 1 109 TYR QD 1 111 LEU QD 6.000 . 6.000 6.943 4.177 8.660 2.660 2 13 "[ + **** **- *.* ***]" 4
601 1 112 SER HA 1 119 ASN HA 6.000 . 6.000 16.656 8.719 21.814 15.814 5 20 [****+****-**********] 4
602 1 75 ASN HB3 1 76 ALA MB 6.000 . 6.000 4.284 3.469 4.919 . 0 0 "[ . 1 . 2]" 4
603 1 33 CYS HB2 1 63 GLY HA2 6.000 . 6.000 3.433 2.332 4.321 . 0 0 "[ . 1 . 2]" 4
604 1 64 PHE HB3 1 67 ILE MD 6.000 . 6.000 2.114 1.787 4.333 . 0 0 "[ . 1 . 2]" 4
605 1 67 ILE MG 1 89 ILE MD 6.000 . 6.000 6.554 5.830 7.028 1.028 15 14 "[ * ** - *1****+** **]" 4
606 1 67 ILE MD 1 89 ILE MD 6.000 . 6.000 4.263 3.809 4.537 . 0 0 "[ . 1 . 2]" 4
607 1 39 HIS HD2 1 57 MET HB2 6.000 . 6.000 2.782 2.143 3.841 . 0 0 "[ . 1 . 2]" 4
608 1 5 ARG HA 1 22 LYS HB2 6.000 . 6.000 4.299 3.321 5.515 . 0 0 "[ . 1 . 2]" 4
609 1 5 ARG HD2 1 22 LYS HE2 6.000 . 6.000 4.854 3.051 6.517 0.517 11 1 "[ . 1+ . 2]" 4
610 1 22 LYS HA 1 22 LYS HE3 6.000 . 6.000 4.708 3.109 5.693 . 0 0 "[ . 1 . 2]" 4
611 1 68 PHE QD 1 89 ILE MG 6.000 . 6.000 4.612 4.169 5.189 . 0 0 "[ . 1 . 2]" 4
612 1 54 ARG QD 1 82 ALA MB 6.000 . 6.000 6.677 5.251 7.578 1.578 16 13 "[** *.-* 1** **+* **]" 4
613 1 54 ARG QD 1 83 GLY QA 6.000 . 6.000 4.144 2.312 6.061 0.061 4 0 "[ . 1 . 2]" 4
614 1 16 TYR HB2 1 67 ILE HA 6.000 . 6.000 4.639 3.663 5.407 . 0 0 "[ . 1 . 2]" 4
615 1 16 TYR HB3 1 67 ILE HA 6.000 . 6.000 3.400 2.967 4.261 . 0 0 "[ . 1 . 2]" 4
616 1 47 LEU HG 1 51 LEU QD 6.000 . 6.000 3.059 2.602 3.942 . 0 0 "[ . 1 . 2]" 4
617 1 39 HIS HD2 1 57 MET HG2 6.000 . 6.000 5.182 4.608 5.483 . 0 0 "[ . 1 . 2]" 4
618 1 39 HIS HD2 1 57 MET HG3 6.000 . 6.000 4.377 3.657 4.930 . 0 0 "[ . 1 . 2]" 4
619 1 113 ARG HA 1 115 ARG QD 6.000 . 6.000 4.353 3.308 6.210 0.210 11 0 "[ . 1 . 2]" 4
620 1 114 PRO QD 1 115 ARG QD 6.000 . 6.000 4.485 3.466 5.525 . 0 0 "[ . 1 . 2]" 4
621 1 72 LYS HE2 1 111 LEU QD 6.000 . 6.000 4.869 3.044 6.272 0.272 6 0 "[ . 1 . 2]" 4
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