NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472830 |
1nla   |
4540 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nla
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 436
_Distance_constraint_stats_list.Viol_count 2003
_Distance_constraint_stats_list.Viol_total 90953.297
_Distance_constraint_stats_list.Viol_max 14.588
_Distance_constraint_stats_list.Viol_rms 3.0614
_Distance_constraint_stats_list.Viol_average_all_restraints 1.2344
_Distance_constraint_stats_list.Viol_average_violations_only 3.4930
_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 5 SER 0.563 0.318 9 0 "[ . 1 ]"
1 6 LYS 0.717 0.318 9 0 "[ . 1 ]"
1 7 MET 0.185 0.094 10 0 "[ . 1 ]"
1 8 PRO 41.876 2.831 12 13 [*******-***+*]
1 9 GLN 0.063 0.063 7 0 "[ . 1 ]"
1 10 PHE 230.055 5.559 4 13 [***+***-*****]
1 11 LEU 10.372 1.118 12 9 "[****.* * * +-]"
1 13 ARG 1.803 0.183 13 0 "[ . 1 ]"
1 14 TRP 1057.798 13.067 8 13 [-******+*****]
1 15 PRO 337.246 13.038 11 13 [**********+*-]
1 16 ARG 13.445 0.627 9 1 "[ . +1 ]"
1 17 GLU 6.111 0.497 3 0 "[ . 1 ]"
1 18 VAL 393.492 9.602 1 13 [+***********-]
1 19 LEU 4.166 0.251 12 0 "[ . 1 ]"
1 20 ASP 2.579 0.251 12 0 "[ . 1 ]"
1 21 LEU 630.043 11.210 4 13 [**-+*********]
1 22 VAL 476.997 14.576 4 13 [***+********-]
1 23 ARG 0.419 0.136 4 0 "[ . 1 ]"
1 24 LYS 0.633 0.136 4 0 "[ . 1 ]"
1 25 VAL 537.851 14.588 13 13 [***********-+]
1 26 ALA 0.262 0.076 1 0 "[ . 1 ]"
1 27 GLU 0.523 0.103 13 0 "[ . 1 ]"
1 28 GLU 1.451 0.165 7 0 "[ . 1 ]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 31 ARG 0.460 0.091 10 0 "[ . 1 ]"
1 32 SER 0.614 0.091 10 0 "[ . 1 ]"
1 33 VAL 27.971 2.410 2 13 [*+*********-*]
1 34 ASN 250.783 7.726 4 13 [***+****-****]
1 35 SER 55.222 4.707 12 13 [********-**+*]
1 36 GLU 0.370 0.076 1 0 "[ . 1 ]"
1 37 ILE 153.058 2.558 12 13 [-**********+*]
1 38 TYR 1265.358 13.067 8 13 [***-***+*****]
1 39 GLN 0.779 0.092 13 0 "[ . 1 ]"
1 40 ARG 0.829 0.105 6 0 "[ . 1 ]"
1 41 VAL 127.662 3.578 7 13 [******+****-*]
1 42 MET 99.360 7.608 1 13 [+****-*******]
1 43 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 44 SER 0.069 0.052 5 0 "[ . 1 ]"
1 45 PHE 1401.168 14.588 13 13 [************+]
1 46 LYS 0.103 0.033 9 0 "[ . 1 ]"
1 47 LYS 0.069 0.052 5 0 "[ . 1 ]"
1 50 ARG 134.692 11.210 4 13 [***+******-**]
1 51 ILE 117.386 9.380 4 13 [**-+*********]
1 52 GLY 0.075 0.075 2 0 "[ . 1 ]"
2 5 SER 0.558 0.317 9 0 "[ . 1 ]"
2 6 LYS 0.716 0.317 9 0 "[ . 1 ]"
2 7 MET 0.183 0.093 10 0 "[ . 1 ]"
2 8 PRO 41.843 2.834 12 13 [*******-***+*]
2 9 GLN 0.063 0.063 7 0 "[ . 1 ]"
2 10 PHE 229.847 5.563 4 13 [***+***-*****]
2 11 LEU 10.337 1.114 12 9 "[****.* * * +-]"
2 13 ARG 1.777 0.182 13 0 "[ . 1 ]"
2 14 TRP 1058.425 13.070 8 13 [*******+-****]
2 15 PRO 337.147 13.038 11 13 [**********+*-]
2 16 ARG 13.417 0.628 9 1 "[ . +1 ]"
2 17 GLU 6.085 0.496 3 0 "[ . 1 ]"
2 18 VAL 393.423 9.595 1 13 [+***********-]
2 19 LEU 4.050 0.248 12 0 "[ . 1 ]"
2 20 ASP 2.531 0.248 12 0 "[ . 1 ]"
2 21 LEU 629.806 11.208 4 13 [**-+*********]
2 22 VAL 476.802 14.580 4 13 [***+********-]
2 23 ARG 0.436 0.145 6 0 "[ . 1 ]"
2 24 LYS 0.661 0.145 6 0 "[ . 1 ]"
2 25 VAL 537.625 14.568 13 13 [***********-+]
2 26 ALA 0.249 0.074 1 0 "[ . 1 ]"
2 27 GLU 0.531 0.103 13 0 "[ . 1 ]"
2 28 GLU 1.467 0.170 13 0 "[ . 1 ]"
2 29 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 31 ARG 0.455 0.088 10 0 "[ . 1 ]"
2 32 SER 0.595 0.088 10 0 "[ . 1 ]"
2 33 VAL 27.929 2.393 2 13 [*+*********-*]
2 34 ASN 250.864 7.752 4 13 [***+****-****]
2 35 SER 55.270 4.687 12 13 [********-**+*]
2 36 GLU 0.324 0.074 1 0 "[ . 1 ]"
2 37 ILE 153.193 2.545 12 13 [********-**+*]
2 38 TYR 1265.555 13.070 8 13 [*******+-****]
2 39 GLN 0.777 0.087 13 0 "[ . 1 ]"
2 40 ARG 0.817 0.117 11 0 "[ . 1 ]"
2 41 VAL 127.848 3.568 7 13 [******+****-*]
2 42 MET 99.347 7.606 1 13 [+****-*******]
2 43 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 44 SER 0.067 0.050 5 0 "[ . 1 ]"
2 45 PHE 1400.638 14.580 4 13 [***+********-]
2 46 LYS 0.103 0.034 6 0 "[ . 1 ]"
2 47 LYS 0.067 0.050 5 0 "[ . 1 ]"
2 50 ARG 134.669 11.208 4 13 [***+******-**]
2 51 ILE 117.379 9.376 4 13 [**-+*********]
2 52 GLY 0.081 0.081 2 0 "[ . 1 ]"
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 22 VAL QG 1 45 PHE QE 2.800 . 2.800 10.309 10.049 10.512 7.712 9 13 [********+**-*] 1
2 1 25 VAL QG 1 45 PHE QE 3.300 . 3.300 11.820 11.525 12.053 8.753 13 13 [*****-******+] 1
3 1 41 VAL QG 1 45 PHE QE 2.800 . 2.800 2.365 2.187 2.543 . 0 0 "[ . 1 ]" 1
4 1 41 VAL QG 1 45 PHE HZ 3.800 . 3.800 3.699 3.525 3.771 . 0 0 "[ . 1 ]" 1
5 1 25 VAL QG 1 45 PHE HZ 3.300 . 3.300 13.575 13.252 13.947 10.647 13 13 [*****-******+] 1
6 1 22 VAL QG 1 45 PHE HZ 2.800 . 2.800 10.963 10.784 11.159 8.359 4 13 [***+*******-*] 1
7 1 45 PHE HA 1 45 PHE QD 2.800 . 2.800 2.019 1.922 2.118 . 0 0 "[ . 1 ]" 1
8 1 18 VAL QG 1 45 PHE QD 3.300 . 3.300 9.988 9.765 10.126 6.826 1 13 [+***********-] 1
9 1 45 PHE QD 1 50 ARG QB 3.300 . 3.300 2.837 2.310 3.152 . 0 0 "[ . 1 ]" 1
10 1 41 VAL QG 1 45 PHE QD 3.300 . 3.300 3.219 2.979 3.378 0.078 11 0 "[ . 1 ]" 1
11 1 45 PHE QD 1 51 ILE MD 3.300 . 3.300 3.143 2.628 3.329 0.029 10 0 "[ . 1 ]" 1
12 1 45 PHE QB 1 51 ILE MD 3.300 . 3.300 2.100 1.854 2.329 . 0 0 "[ . 1 ]" 1
13 1 21 LEU QD 1 45 PHE QD 3.300 . 3.300 12.973 12.523 13.208 9.908 4 13 [**-+*********] 1
14 1 21 LEU QD 1 45 PHE QE 3.800 . 3.800 12.724 12.374 12.957 9.157 4 13 [**-+*********] 1
15 1 21 LEU QD 1 45 PHE HZ 3.800 . 3.800 14.264 13.939 14.633 10.833 4 13 [**-+*********] 1
16 1 25 VAL HB 1 45 PHE HZ 3.800 . 3.800 18.103 17.769 18.388 14.588 13 13 [*****-******+] 1
17 1 46 LYS H 1 51 ILE MD 3.800 . 3.800 3.347 2.799 3.807 0.007 11 0 "[ . 1 ]" 1
18 1 46 LYS QE 1 51 ILE MD 3.800 . 3.800 3.251 2.536 3.833 0.033 6 0 "[ . 1 ]" 1
19 1 22 VAL HA 1 45 PHE HZ 2.800 . 2.800 17.032 16.758 17.376 14.576 4 13 [***+*******-*] 1
20 1 21 LEU QD 1 45 PHE H 3.800 . 3.800 12.812 12.241 13.180 9.380 4 13 [**-+*********] 1
21 1 45 PHE H 1 51 ILE MD 4.300 . 4.300 4.029 3.739 4.334 0.034 11 0 "[ . 1 ]" 1
22 1 18 VAL QG 1 38 TYR QE 2.800 . 2.800 12.124 11.922 12.402 9.602 1 13 [+***********-] 1
23 1 18 VAL QG 1 38 TYR QD 3.800 . 3.800 10.600 10.416 10.885 7.085 1 13 [+***********-] 1
24 1 15 PRO QD 1 38 TYR QE 3.300 . 3.300 16.050 15.826 16.221 12.921 1 13 [+***********-] 1
25 1 38 TYR H 1 38 TYR QD 3.800 . 3.800 4.106 4.086 4.114 0.314 12 0 "[ . 1 ]" 1
26 1 14 TRP HE1 1 38 TYR QB 3.800 . 3.800 11.197 10.989 11.651 7.851 12 13 [*****-*****+*] 1
27 1 38 TYR QE 1 42 MET ME 3.800 . 3.800 2.960 2.578 3.175 . 0 0 "[ . 1 ]" 1
28 1 15 PRO QG 1 38 TYR QE 4.300 . 4.300 17.221 16.956 17.338 13.038 11 13 [**********+*-] 1
29 1 14 TRP HE3 1 38 TYR QD 3.800 . 3.800 12.149 11.986 12.423 8.623 8 13 [*******+****-] 1
30 1 14 TRP HE3 1 38 TYR QE 3.800 . 3.800 14.234 14.053 14.538 10.738 8 13 [*******+****-] 1
31 1 14 TRP H 1 19 LEU QD 3.800 . 3.800 3.360 3.085 3.727 . 0 0 "[ . 1 ]" 1
32 1 14 TRP HH2 1 37 ILE MG 2.800 . 2.800 2.157 2.051 2.385 . 0 0 "[ . 1 ]" 1
33 1 14 TRP HH2 1 37 ILE MD 3.300 . 3.300 2.029 1.910 2.353 . 0 0 "[ . 1 ]" 1
34 1 14 TRP HH2 1 41 VAL QG . . 2.800 3.861 3.665 4.016 1.216 7 13 [******+****-*] 1
35 1 14 TRP HH2 1 37 ILE QG 3.800 . 3.800 3.778 3.681 4.013 0.213 12 0 "[ . 1 ]" 1
36 1 14 TRP HZ3 1 41 VAL QG 3.300 . 3.300 5.573 5.246 5.766 2.466 4 13 [***+*******-*] 1
37 1 14 TRP HZ3 1 37 ILE MG 3.300 . 3.300 3.473 3.419 3.585 0.285 1 0 "[ . 1 ]" 1
38 1 14 TRP HZ3 1 37 ILE QG 3.800 . 3.800 3.546 3.359 3.768 . 0 0 "[ . 1 ]" 1
39 1 14 TRP HZ3 1 22 VAL QG 3.300 . 3.300 2.298 2.196 2.488 . 0 0 "[ . 1 ]" 1
40 1 14 TRP HZ3 1 18 VAL QG 3.300 . 3.300 2.262 2.172 2.409 . 0 0 "[ . 1 ]" 1
41 1 14 TRP HE3 1 18 VAL QG 2.800 . 2.800 2.304 1.969 2.557 . 0 0 "[ . 1 ]" 1
42 1 14 TRP HE3 1 19 LEU QD 2.800 . 2.800 2.430 2.075 2.801 0.001 9 0 "[ . 1 ]" 1
43 1 14 TRP HE3 1 41 VAL QG 3.800 . 3.800 7.228 6.976 7.378 3.578 7 13 [******+****-*] 1
44 1 14 TRP HE3 1 19 LEU HG 3.800 . 3.800 3.007 2.679 3.341 . 0 0 "[ . 1 ]" 1
45 1 14 TRP HE3 1 19 LEU HA 3.800 . 3.800 3.639 3.360 3.813 0.013 5 0 "[ . 1 ]" 1
46 1 14 TRP HE3 1 18 VAL HB 3.800 . 3.800 3.748 3.566 3.924 0.124 4 0 "[ . 1 ]" 1
47 1 14 TRP HE3 1 22 VAL QG 3.800 . 3.800 3.072 2.922 3.302 . 0 0 "[ . 1 ]" 1
48 1 14 TRP HZ2 1 41 VAL QG 3.300 . 3.300 4.451 4.190 4.607 1.307 7 13 [******+*****-] 1
49 1 14 TRP HZ2 1 37 ILE MD 3.800 . 3.800 4.133 4.060 4.305 0.505 1 1 "[+ . 1 ]" 1
50 1 14 TRP HZ2 1 37 ILE MG 2.800 . 2.800 3.521 3.296 3.944 1.144 12 12 [*****-***1*+*] 1
51 1 14 TRP HZ2 1 37 ILE QG 3.800 . 3.800 5.394 5.187 5.925 2.125 12 13 [*********-*+*] 1
52 1 14 TRP HZ2 1 37 ILE HB 4.300 . 4.300 6.484 6.260 6.858 2.558 12 13 [*********-*+*] 1
53 1 14 TRP HZ2 1 38 TYR QB 3.800 . 3.800 8.954 8.768 9.384 5.584 12 13 [*****-*****+*] 1
54 1 14 TRP HE1 1 34 ASN QD . . 4.200 10.918 9.323 11.926 7.726 4 13 [***+-********] 1
55 1 14 TRP HE1 1 37 ILE MG 4.300 . 4.300 5.706 5.473 6.107 1.807 12 13 [*********-*+*] 1
56 1 23 ARG HA 1 33 VAL QG 2.800 . 2.800 2.052 1.825 2.270 . 0 0 "[ . 1 ]" 1
57 1 25 VAL QG 1 40 ARG HE 3.800 . 3.800 2.185 1.941 2.423 . 0 0 "[ . 1 ]" 1
58 1 36 GLU HG3 1 40 ARG HE 3.800 . 3.800 3.154 2.526 3.840 0.040 6 0 "[ . 1 ]" 1
59 1 36 GLU HG2 1 40 ARG HE 3.800 . 3.800 3.327 2.760 3.758 . 0 0 "[ . 1 ]" 1
60 1 26 ALA MB 1 33 VAL H 3.800 . 3.800 3.037 2.755 3.261 . 0 0 "[ . 1 ]" 1
61 1 26 ALA MB 1 33 VAL HA 2.800 . 2.800 1.962 1.875 2.175 . 0 0 "[ . 1 ]" 1
62 1 21 LEU QD 1 50 ARG QB 3.800 . 3.800 14.161 13.603 15.010 11.210 4 13 [***+******-**] 1
63 1 25 VAL QG 1 29 ASN QD 3.800 . 3.800 2.887 2.218 3.615 . 0 0 "[ . 1 ]" 1
64 1 39 GLN QE 1 42 MET ME . . 4.200 3.565 2.924 4.220 0.020 10 0 "[ . 1 ]" 1
65 1 26 ALA MB 1 36 GLU H 3.800 . 3.800 3.732 3.530 3.876 0.076 1 0 "[ . 1 ]" 1
66 1 26 ALA MB 1 33 VAL QG 3.300 . 3.300 1.871 1.764 2.007 0.036 1 0 "[ . 1 ]" 1
67 1 18 VAL QG 1 42 MET ME 3.300 . 3.300 10.703 10.366 10.908 7.608 1 13 [+****-*******] 1
68 1 23 ARG HA 1 26 ALA MB 3.300 . 3.300 2.877 2.536 3.074 . 0 0 "[ . 1 ]" 1
69 1 34 ASN HA 1 37 ILE HB 4.300 . 4.300 3.259 2.937 3.643 . 0 0 "[ . 1 ]" 1
70 1 16 ARG HA 1 19 LEU QD 3.800 . 3.800 2.970 2.714 3.243 . 0 0 "[ . 1 ]" 1
71 1 18 VAL HA 1 21 LEU HB3 3.800 . 3.800 3.088 2.906 3.293 . 0 0 "[ . 1 ]" 1
72 1 18 VAL HA 1 21 LEU HB2 3.800 . 3.800 3.787 3.439 3.867 0.067 9 0 "[ . 1 ]" 1
73 1 39 GLN HA 1 42 MET HB3 3.300 . 3.300 3.350 3.325 3.392 0.092 13 0 "[ . 1 ]" 1
74 1 39 GLN HA 1 42 MET HB2 3.300 . 3.300 2.281 2.158 2.451 . 0 0 "[ . 1 ]" 1
75 1 39 GLN HA 1 42 MET ME 3.800 . 3.800 3.496 2.851 3.805 0.005 9 0 "[ . 1 ]" 1
76 1 42 MET HA 1 45 PHE QD 3.300 . 3.300 2.882 2.589 3.214 . 0 0 "[ . 1 ]" 1
77 1 42 MET HA 1 51 ILE MD 4.300 . 4.300 3.513 3.073 4.122 . 0 0 "[ . 1 ]" 1
78 1 22 VAL HA 1 25 VAL HB 3.800 . 3.800 2.644 2.567 2.747 . 0 0 "[ . 1 ]" 1
79 1 22 VAL HA 1 25 VAL QG 3.800 . 3.800 2.685 2.290 3.023 . 0 0 "[ . 1 ]" 1
80 1 37 ILE HA 1 40 ARG HB3 4.300 . 4.300 4.342 4.199 4.405 0.105 6 0 "[ . 1 ]" 1
81 1 37 ILE HA 1 40 ARG HB2 4.300 . 4.300 2.774 2.690 2.904 . 0 0 "[ . 1 ]" 1
82 1 37 ILE HA 1 37 ILE MD 3.300 . 3.300 2.189 1.902 3.594 0.294 5 0 "[ . 1 ]" 1
83 1 37 ILE HA 1 41 VAL QG 3.300 . 3.300 3.525 3.370 3.741 0.441 9 0 "[ . 1 ]" 1
84 1 33 VAL HA 1 36 GLU QB 3.800 . 3.800 2.368 2.184 2.514 . 0 0 "[ . 1 ]" 1
85 1 14 TRP HA 1 14 TRP HD1 2.800 . 2.800 2.737 2.680 2.816 0.016 9 0 "[ . 1 ]" 1
86 1 10 PHE HA 1 10 PHE QD 2.800 . 2.800 2.657 2.446 2.800 . 2 0 "[ . 1 ]" 1
87 1 10 PHE H 1 10 PHE QD 3.800 . 3.800 4.129 4.082 4.150 0.350 3 0 "[ . 1 ]" 1
88 1 9 GLN H 1 9 GLN QG 3.800 . 3.800 2.891 1.963 3.863 0.063 7 0 "[ . 1 ]" 1
89 1 10 PHE H 1 11 LEU H 3.800 . 3.800 2.541 2.298 2.723 . 0 0 "[ . 1 ]" 1
90 1 10 PHE QE 1 14 TRP HZ2 3.300 . 3.300 3.163 2.942 3.367 0.067 5 0 "[ . 1 ]" 1
91 1 10 PHE QE 1 14 TRP HE1 4.300 . 4.300 3.843 3.651 4.012 . 0 0 "[ . 1 ]" 1
92 1 10 PHE QE 1 34 ASN HA 3.300 . 3.300 7.020 6.649 7.420 4.120 2 13 [*+******-****] 1
93 1 11 LEU H 1 11 LEU HG 3.300 . 3.300 2.374 2.133 2.662 . 0 0 "[ . 1 ]" 1
94 1 11 LEU HA 1 11 LEU HG 3.800 . 3.800 2.934 2.785 3.116 . 0 0 "[ . 1 ]" 1
95 1 11 LEU HA 1 11 LEU QD 2.800 . 2.800 2.039 1.901 2.160 . 0 0 "[ . 1 ]" 1
96 1 14 TRP H 1 14 TRP HB3 3.300 . 3.300 3.473 3.466 3.481 0.181 9 0 "[ . 1 ]" 1
97 1 14 TRP H 1 14 TRP HB2 3.300 . 3.300 2.196 2.155 2.239 . 0 0 "[ . 1 ]" 1
98 1 14 TRP H 1 14 TRP HD1 2.800 . 2.800 2.199 2.038 2.374 . 0 0 "[ . 1 ]" 1
99 1 14 TRP HB3 1 14 TRP HE3 3.300 . 3.300 2.504 2.485 2.535 . 0 0 "[ . 1 ]" 1
100 1 14 TRP HB2 1 14 TRP HE3 3.300 . 3.300 3.455 3.414 3.487 0.187 13 0 "[ . 1 ]" 1
101 1 10 PHE QD 1 11 LEU HG 3.300 . 3.300 2.452 2.114 2.922 . 0 0 "[ . 1 ]" 1
102 1 10 PHE QD 1 11 LEU QD 2.800 . 2.800 2.228 1.947 2.553 . 0 0 "[ . 1 ]" 1
103 1 8 PRO QB 1 11 LEU H 4.300 . 4.300 3.189 3.005 3.417 . 0 0 "[ . 1 ]" 1
104 1 8 PRO HA 1 9 GLN H 2.800 . 2.800 2.357 2.269 2.480 . 0 0 "[ . 1 ]" 1
105 1 8 PRO QB 1 9 GLN H 3.800 . 3.800 2.853 2.530 3.097 . 0 0 "[ . 1 ]" 1
106 1 8 PRO QD 1 11 LEU QD 3.300 . 3.300 2.227 1.972 2.495 . 0 0 "[ . 1 ]" 1
107 1 8 PRO QG 1 11 LEU QD 3.800 . 3.800 1.887 1.782 1.981 0.018 13 0 "[ . 1 ]" 1
108 1 7 MET QG 1 19 LEU QD 3.800 . 3.800 3.463 2.487 3.817 0.017 6 0 "[ . 1 ]" 1
109 1 7 MET QG 1 8 PRO QD 4.300 . 4.300 3.066 2.190 3.376 . 0 0 "[ . 1 ]" 1
110 1 10 PHE QE 1 11 LEU QD 2.800 . 2.800 2.914 2.672 3.207 0.407 2 0 "[ . 1 ]" 1
111 1 10 PHE QE 1 11 LEU HG 3.800 . 3.800 4.463 4.105 4.918 1.118 12 9 "[****.* * * +-]" 1
112 1 10 PHE QE 1 37 ILE HB 3.800 . 3.800 5.855 5.464 6.320 2.520 5 13 [****+-*******] 1
113 1 10 PHE QE 1 37 ILE MG 2.800 . 2.800 3.630 3.298 4.082 1.282 5 12 "[****+ *-*****]" 1
114 1 10 PHE QE 1 33 VAL QG 2.800 . 2.800 4.936 4.434 5.210 2.410 2 13 [*+*********-*] 1
115 1 11 LEU QD 1 37 ILE MG 3.800 . 3.800 3.022 2.900 3.278 . 0 0 "[ . 1 ]" 1
116 1 11 LEU QD 1 37 ILE MD 3.300 . 3.300 2.949 2.122 3.167 . 0 0 "[ . 1 ]" 1
117 1 11 LEU QD 1 19 LEU QD 2.800 . 2.800 2.173 1.933 2.535 . 0 0 "[ . 1 ]" 1
118 1 10 PHE HA 1 34 ASN QD 4.300 . 4.300 8.905 7.942 9.859 5.559 4 13 [***+**-******] 1
119 1 8 PRO QB 1 10 PHE QD 3.800 . 3.800 4.395 4.276 4.685 0.885 2 10 "[*+*** - ****]" 1
120 1 8 PRO QG 1 10 PHE QD 4.300 . 4.300 4.012 3.861 4.344 0.044 2 0 "[ . 1 ]" 1
121 1 11 LEU QD 1 14 TRP HH2 4.300 . 4.300 3.413 3.269 3.536 . 0 0 "[ . 1 ]" 1
122 1 11 LEU QD 1 14 TRP HD1 4.300 . 4.300 3.815 3.593 4.051 . 0 0 "[ . 1 ]" 1
123 1 11 LEU QD 1 14 TRP HZ3 3.800 . 3.800 3.200 3.038 3.347 . 0 0 "[ . 1 ]" 1
124 1 11 LEU QD 1 14 TRP HE3 3.800 . 3.800 2.845 2.624 3.237 . 0 0 "[ . 1 ]" 1
125 1 11 LEU QD 1 14 TRP HZ2 3.800 . 3.800 3.289 3.051 3.430 . 0 0 "[ . 1 ]" 1
126 1 11 LEU QD 1 14 TRP HE1 4.300 . 4.300 3.392 3.214 3.591 . 0 0 "[ . 1 ]" 1
127 1 13 ARG QB 1 14 TRP HD1 4.300 . 4.300 2.526 2.305 2.788 . 0 0 "[ . 1 ]" 1
128 1 13 ARG HA 1 14 TRP H 3.300 . 3.300 3.439 3.332 3.483 0.183 13 0 "[ . 1 ]" 1
129 1 7 MET ME 1 19 LEU QD 4.300 . 4.300 2.131 1.786 2.827 0.014 13 0 "[ . 1 ]" 1
130 1 7 MET ME 1 11 LEU QD 4.300 . 4.300 3.931 3.789 4.037 . 0 0 "[ . 1 ]" 1
131 1 7 MET HA 1 11 LEU QD 4.300 . 4.300 4.218 3.811 4.310 0.010 1 0 "[ . 1 ]" 1
132 1 7 MET QG 1 11 LEU QD 4.300 . 4.300 4.092 3.070 4.315 0.015 12 0 "[ . 1 ]" 1
133 1 14 TRP HZ2 1 38 TYR QD 4.300 . 4.300 9.440 9.243 9.650 5.350 1 13 [+**-*********] 1
134 1 14 TRP HZ3 1 38 TYR QD 4.300 . 4.300 10.237 10.094 10.512 6.212 1 13 [+*******-****] 1
135 1 38 TYR QD 1 39 GLN HA 4.300 . 4.300 4.240 4.047 4.345 0.045 4 0 "[ . 1 ]" 1
136 1 14 TRP HA 1 38 TYR QE 4.300 . 4.300 17.097 16.850 17.367 13.067 8 13 [*******+****-] 1
137 1 14 TRP HA 1 14 TRP HE3 4.300 . 4.300 4.626 4.584 4.683 0.383 2 0 "[ . 1 ]" 1
138 1 14 TRP HD1 1 15 PRO QD 4.300 . 4.300 4.332 4.281 4.378 0.078 9 0 "[ . 1 ]" 1
139 1 8 PRO HA 1 10 PHE QD 4.300 . 4.300 6.921 6.793 7.131 2.831 12 13 [********-**+*] 1
140 1 8 PRO QB 1 11 LEU QD 4.300 . 4.300 3.468 3.275 3.614 . 0 0 "[ . 1 ]" 1
141 1 10 PHE H 1 11 LEU HG 4.300 . 4.300 4.094 3.776 4.359 0.059 5 0 "[ . 1 ]" 1
142 1 35 SER HA 1 38 TYR QD 4.300 . 4.300 3.249 2.776 3.628 . 0 0 "[ . 1 ]" 1
143 1 20 ASP HA 1 23 ARG HE 4.300 . 4.300 3.497 2.016 4.318 0.018 5 0 "[ . 1 ]" 1
144 1 14 TRP HZ2 1 34 ASN HA 4.300 . 4.300 8.537 8.248 9.007 4.707 12 13 [********-**+*] 1
145 1 5 SER HA 1 6 LYS H 2.800 . 2.800 2.513 2.218 3.045 0.245 9 0 "[ . 1 ]" 1
146 1 5 SER QB 1 6 LYS H 3.300 . 3.300 2.692 2.062 3.618 0.318 9 0 "[ . 1 ]" 1
147 1 6 LYS H 1 6 LYS QG 3.800 . 3.800 3.052 1.910 3.834 0.034 13 0 "[ . 1 ]" 1
148 1 6 LYS HA 1 7 MET H 2.800 . 2.800 2.627 2.275 2.894 0.094 10 0 "[ . 1 ]" 1
149 1 16 ARG H 1 19 LEU QD 4.300 . 4.300 4.299 4.155 4.370 0.070 4 0 "[ . 1 ]" 1
150 1 15 PRO HB3 1 16 ARG H 3.300 . 3.300 3.485 3.398 3.632 0.332 4 0 "[ . 1 ]" 1
151 1 15 PRO HA 1 16 ARG H 2.800 . 2.800 2.438 2.273 2.564 . 0 0 "[ . 1 ]" 1
152 1 16 ARG H 1 16 ARG HA 2.800 . 2.800 2.873 2.807 2.912 0.112 10 0 "[ . 1 ]" 1
153 1 16 ARG H 1 16 ARG HB3 2.800 . 2.800 2.384 1.906 3.084 0.284 3 0 "[ . 1 ]" 1
154 1 16 ARG H 1 16 ARG HB2 2.800 . 2.800 2.641 1.893 3.427 0.627 9 1 "[ . +1 ]" 1
155 1 16 ARG H 1 16 ARG QG . . 3.100 3.306 1.923 3.498 0.398 10 0 "[ . 1 ]" 1
156 1 17 GLU H 1 17 GLU HA 2.800 . 2.800 2.862 2.804 2.897 0.097 13 0 "[ . 1 ]" 1
157 1 15 PRO HA 1 17 GLU H . . 4.200 4.245 4.108 4.346 0.146 8 0 "[ . 1 ]" 1
158 1 17 GLU H 1 18 VAL QG . . 4.200 4.029 3.780 4.229 0.029 8 0 "[ . 1 ]" 1
159 1 16 ARG QG 1 17 GLU H 3.800 . 3.800 3.489 2.193 4.297 0.497 3 0 "[ . 1 ]" 1
160 1 15 PRO HB2 1 18 VAL H 3.800 . 3.800 3.214 3.006 3.442 . 0 0 "[ . 1 ]" 1
161 1 18 VAL H 1 19 LEU H 2.800 . 2.800 2.492 2.144 2.805 0.005 8 0 "[ . 1 ]" 1
162 1 19 LEU H 1 19 LEU HG . . 3.100 2.332 1.993 2.679 . 0 0 "[ . 1 ]" 1
163 1 19 LEU H 1 19 LEU QD 3.300 . 3.300 3.096 2.956 3.250 . 0 0 "[ . 1 ]" 1
164 1 19 LEU H 1 22 VAL QG 3.800 . 3.800 3.899 3.867 3.970 0.170 5 0 "[ . 1 ]" 1
165 1 18 VAL HB 1 19 LEU H 3.300 . 3.300 2.482 2.357 2.615 . 0 0 "[ . 1 ]" 1
166 1 18 VAL QG 1 19 LEU H 3.300 . 3.300 3.130 3.007 3.248 . 0 0 "[ . 1 ]" 1
167 1 17 GLU HA 1 20 ASP H . . 3.100 3.283 3.202 3.351 0.251 12 0 "[ . 1 ]" 1
168 1 19 LEU HB3 1 20 ASP H 3.800 . 3.800 3.651 3.349 3.862 0.062 11 0 "[ . 1 ]" 1
169 1 19 LEU HB2 1 20 ASP H 3.800 . 3.800 2.840 2.755 2.986 . 0 0 "[ . 1 ]" 1
170 1 20 ASP H 1 20 ASP HB3 . . 3.100 2.639 2.374 3.116 0.016 12 0 "[ . 1 ]" 1
171 1 20 ASP H 1 20 ASP HB2 . . 3.100 2.290 1.982 2.515 . 0 0 "[ . 1 ]" 1
172 1 16 ARG HA 1 20 ASP H . . 4.200 3.874 3.561 4.227 0.027 8 0 "[ . 1 ]" 1
173 1 19 LEU HA 1 22 VAL H 3.800 . 3.800 3.342 3.206 3.605 . 0 0 "[ . 1 ]" 1
174 1 22 VAL H 1 22 VAL QG 2.800 . 2.800 2.001 1.955 2.031 . 0 0 "[ . 1 ]" 1
175 1 22 VAL HB 1 23 ARG H . . 3.100 2.357 2.223 2.559 . 0 0 "[ . 1 ]" 1
176 1 22 VAL QG 1 23 ARG H . . 3.100 2.917 2.816 2.976 . 0 0 "[ . 1 ]" 1
177 1 22 VAL QG 1 23 ARG H 3.800 . 3.800 3.150 3.051 3.269 . 0 0 "[ . 1 ]" 1
178 1 24 LYS H 1 25 VAL QG 4.300 . 4.300 3.674 3.506 3.784 . 0 0 "[ . 1 ]" 1
179 1 24 LYS H 1 24 LYS QG 3.800 . 3.800 3.258 2.426 3.780 . 0 0 "[ . 1 ]" 1
180 1 23 ARG HG3 1 24 LYS H 4.300 . 4.300 3.432 1.938 4.431 0.131 6 0 "[ . 1 ]" 1
181 1 23 ARG HG2 1 24 LYS H 4.300 . 4.300 3.593 1.981 4.436 0.136 4 0 "[ . 1 ]" 1
182 1 21 LEU HA 1 24 LYS H 2.800 . 2.800 2.763 2.733 2.819 0.019 10 0 "[ . 1 ]" 1
183 1 24 LYS HA 1 27 GLU H 2.800 . 2.800 2.812 2.779 2.851 0.051 8 0 "[ . 1 ]" 1
184 1 27 GLU H 1 27 GLU QG 3.800 . 3.800 3.175 1.931 3.903 0.103 13 0 "[ . 1 ]" 1
185 1 27 GLU H 1 28 GLU H . . 3.100 2.505 2.358 2.626 . 0 0 "[ . 1 ]" 1
186 1 25 VAL HA 1 28 GLU H 3.300 . 3.300 3.411 3.323 3.465 0.165 7 0 "[ . 1 ]" 1
187 1 28 GLU H 1 28 GLU QG . . 3.100 2.679 1.918 3.103 0.003 9 0 "[ . 1 ]" 1
188 1 31 ARG HA 1 32 SER H 2.800 . 2.800 2.827 2.763 2.891 0.091 10 0 "[ . 1 ]" 1
189 1 32 SER HA 1 33 VAL H 2.800 . 2.800 2.573 2.500 2.684 . 0 0 "[ . 1 ]" 1
190 1 32 SER HB3 1 33 VAL H 3.800 . 3.800 2.810 2.207 3.794 . 0 0 "[ . 1 ]" 1
191 1 32 SER HB2 1 33 VAL H 3.800 . 3.800 3.421 2.340 3.864 0.064 10 0 "[ . 1 ]" 1
192 1 33 VAL H 1 33 VAL HB 2.800 . 2.800 2.280 2.215 2.385 . 0 0 "[ . 1 ]" 1
193 1 33 VAL H 1 33 VAL QG 2.800 . 2.800 2.150 1.912 2.353 . 0 0 "[ . 1 ]" 1
194 1 34 ASN HA 1 35 SER H 2.800 . 2.800 2.800 2.778 2.814 0.014 12 0 "[ . 1 ]" 1
195 1 34 ASN HB3 1 35 SER H 3.800 . 3.800 2.982 2.483 3.651 . 0 0 "[ . 1 ]" 1
196 1 34 ASN HB2 1 35 SER H 3.800 . 3.800 3.490 2.835 3.837 0.037 13 0 "[ . 1 ]" 1
197 1 33 VAL HA 1 36 GLU H 3.800 . 3.800 3.141 2.825 3.393 . 0 0 "[ . 1 ]" 1
198 1 36 GLU H 1 36 GLU HB3 3.300 . 3.300 2.683 2.444 2.947 . 0 0 "[ . 1 ]" 1
199 1 36 GLU H 1 36 GLU HB2 3.300 . 3.300 2.162 1.962 2.367 . 0 0 "[ . 1 ]" 1
200 1 37 ILE H 1 37 ILE HB 3.300 . 3.300 2.322 2.230 2.399 . 0 0 "[ . 1 ]" 1
201 1 33 VAL QG 1 37 ILE H 3.800 . 3.800 3.107 2.937 3.406 . 0 0 "[ . 1 ]" 1
202 1 38 TYR H 1 38 TYR HB3 3.300 . 3.300 2.305 2.212 2.373 . 0 0 "[ . 1 ]" 1
203 1 38 TYR H 1 38 TYR HB2 3.300 . 3.300 2.531 2.457 2.619 . 0 0 "[ . 1 ]" 1
204 1 34 ASN HA 1 38 TYR H 3.300 . 3.300 3.223 3.027 3.285 . 0 0 "[ . 1 ]" 1
205 1 40 ARG H 1 42 MET H 3.800 . 3.800 3.548 3.433 3.674 . 0 0 "[ . 1 ]" 1
206 1 41 VAL H 1 41 VAL QG . . 2.800 2.446 2.185 2.695 . 0 0 "[ . 1 ]" 1
207 1 39 GLN HA 1 42 MET H 3.800 . 3.800 3.189 3.089 3.342 . 0 0 "[ . 1 ]" 1
208 1 41 VAL QG 1 42 MET H 3.800 . 3.800 3.276 3.160 3.381 . 0 0 "[ . 1 ]" 1
209 1 41 VAL HB 1 42 MET H 2.800 . 2.800 2.851 2.783 2.908 0.108 6 0 "[ . 1 ]" 1
210 1 42 MET H 1 42 MET HB3 . . 3.100 3.168 3.115 3.211 0.111 3 0 "[ . 1 ]" 1
211 1 42 MET H 1 42 MET HB2 . . 3.100 1.942 1.935 1.952 . 0 0 "[ . 1 ]" 1
212 1 42 MET H 1 42 MET QG 3.300 . 3.300 3.368 3.295 3.432 0.132 8 0 "[ . 1 ]" 1
213 1 43 GLU H 1 43 GLU HG3 3.800 . 3.800 3.130 2.078 3.751 . 0 0 "[ . 1 ]" 1
214 1 43 GLU H 1 43 GLU HG2 3.800 . 3.800 3.032 1.954 3.791 . 0 0 "[ . 1 ]" 1
215 1 45 PHE H 1 46 LYS H 2.800 . 2.800 2.686 2.542 2.833 0.033 9 0 "[ . 1 ]" 1
216 1 45 PHE QB 1 46 LYS H 3.300 . 3.300 2.715 2.434 3.089 . 0 0 "[ . 1 ]" 1
217 1 44 SER HA 1 47 LYS H 2.800 . 2.800 2.756 2.701 2.852 0.052 5 0 "[ . 1 ]" 1
218 1 51 ILE HB 1 52 GLY H 3.300 . 3.300 2.458 1.949 3.375 0.075 2 0 "[ . 1 ]" 1
219 2 22 VAL QG 2 45 PHE QE 2.800 . 2.800 10.307 10.054 10.506 7.706 9 13 [********+**-*] 1
220 2 25 VAL QG 2 45 PHE QE 3.300 . 3.300 11.817 11.512 12.037 8.737 13 13 [*****-******+] 1
221 2 41 VAL QG 2 45 PHE QE 2.800 . 2.800 2.361 2.184 2.538 . 0 0 "[ . 1 ]" 1
222 2 41 VAL QG 2 45 PHE HZ 3.800 . 3.800 3.694 3.515 3.783 . 0 0 "[ . 1 ]" 1
223 2 25 VAL QG 2 45 PHE HZ 3.300 . 3.300 13.570 13.238 13.926 10.626 13 13 [*****-******+] 1
224 2 22 VAL QG 2 45 PHE HZ 2.800 . 2.800 10.959 10.793 11.160 8.360 4 13 [***+*******-*] 1
225 2 45 PHE HA 2 45 PHE QD 2.800 . 2.800 2.021 1.924 2.120 . 0 0 "[ . 1 ]" 1
226 2 18 VAL QG 2 45 PHE QD 3.300 . 3.300 9.988 9.768 10.128 6.828 1 13 [+***********-] 1
227 2 45 PHE QD 2 50 ARG QB 3.300 . 3.300 2.838 2.331 3.134 . 0 0 "[ . 1 ]" 1
228 2 41 VAL QG 2 45 PHE QD 3.300 . 3.300 3.219 2.975 3.374 0.074 11 0 "[ . 1 ]" 1
229 2 45 PHE QD 2 51 ILE MD 3.300 . 3.300 3.142 2.615 3.336 0.036 10 0 "[ . 1 ]" 1
230 2 45 PHE QB 2 51 ILE MD 3.300 . 3.300 2.100 1.850 2.332 . 0 0 "[ . 1 ]" 1
231 2 21 LEU QD 2 45 PHE QD 3.300 . 3.300 12.971 12.520 13.203 9.903 4 13 [**-+*********] 1
232 2 21 LEU QD 2 45 PHE QE 3.800 . 3.800 12.719 12.369 12.953 9.153 4 13 [**-+*********] 1
233 2 21 LEU QD 2 45 PHE HZ 3.800 . 3.800 14.258 13.930 14.632 10.832 4 13 [**-+*********] 1
234 2 25 VAL HB 2 45 PHE HZ 3.800 . 3.800 18.097 17.747 18.368 14.568 13 13 [*****-******+] 1
235 2 46 LYS H 2 51 ILE MD 3.800 . 3.800 3.346 2.795 3.811 0.011 11 0 "[ . 1 ]" 1
236 2 46 LYS QE 2 51 ILE MD 3.800 . 3.800 3.252 2.540 3.834 0.034 6 0 "[ . 1 ]" 1
237 2 22 VAL HA 2 45 PHE HZ 2.800 . 2.800 17.027 16.774 17.380 14.580 4 13 [***+*******-*] 1
238 2 21 LEU QD 2 45 PHE H 3.800 . 3.800 12.810 12.239 13.176 9.376 4 13 [**-+*********] 1
239 2 45 PHE H 2 51 ILE MD 4.300 . 4.300 4.030 3.743 4.339 0.039 11 0 "[ . 1 ]" 1
240 2 18 VAL QG 2 38 TYR QE 2.800 . 2.800 12.124 11.914 12.395 9.595 1 13 [+***********-] 1
241 2 18 VAL QG 2 38 TYR QD 3.800 . 3.800 10.599 10.410 10.878 7.078 1 13 [+***********-] 1
242 2 15 PRO QD 2 38 TYR QE 3.300 . 3.300 16.047 15.816 16.211 12.911 1 13 [+***********-] 1
243 2 38 TYR H 2 38 TYR QD 3.800 . 3.800 4.106 4.082 4.114 0.314 12 0 "[ . 1 ]" 1
244 2 14 TRP HE1 2 38 TYR QB 3.800 . 3.800 11.199 11.018 11.641 7.841 12 13 [*****-*****+*] 1
245 2 38 TYR QE 2 42 MET ME 3.800 . 3.800 2.962 2.577 3.187 . 0 0 "[ . 1 ]" 1
246 2 15 PRO QG 2 38 TYR QE 4.300 . 4.300 17.221 16.953 17.338 13.038 11 13 [**********+*-] 1
247 2 14 TRP HE3 2 38 TYR QD 3.800 . 3.800 12.151 11.988 12.423 8.623 8 13 [*******+****-] 1
248 2 14 TRP HE3 2 38 TYR QE 3.800 . 3.800 14.238 14.053 14.542 10.742 8 13 [*******+****-] 1
249 2 14 TRP H 2 19 LEU QD 3.800 . 3.800 3.362 3.088 3.721 . 0 0 "[ . 1 ]" 1
250 2 14 TRP HH2 2 37 ILE MG 2.800 . 2.800 2.161 2.051 2.373 . 0 0 "[ . 1 ]" 1
251 2 14 TRP HH2 2 37 ILE MD 3.300 . 3.300 2.030 1.902 2.335 . 0 0 "[ . 1 ]" 1
252 2 14 TRP HH2 2 41 VAL QG . . 2.800 3.865 3.681 4.007 1.207 7 13 [******+****-*] 1
253 2 14 TRP HH2 2 37 ILE QG 3.800 . 3.800 3.780 3.672 3.985 0.185 12 0 "[ . 1 ]" 1
254 2 14 TRP HZ3 2 41 VAL QG 3.300 . 3.300 5.577 5.279 5.758 2.458 4 13 [***+*******-*] 1
255 2 14 TRP HZ3 2 37 ILE MG 3.300 . 3.300 3.476 3.403 3.588 0.288 1 0 "[ . 1 ]" 1
256 2 14 TRP HZ3 2 37 ILE QG 3.800 . 3.800 3.547 3.369 3.760 . 0 0 "[ . 1 ]" 1
257 2 14 TRP HZ3 2 22 VAL QG 3.300 . 3.300 2.297 2.207 2.491 . 0 0 "[ . 1 ]" 1
258 2 14 TRP HZ3 2 18 VAL QG 3.300 . 3.300 2.261 2.182 2.409 . 0 0 "[ . 1 ]" 1
259 2 14 TRP HE3 2 18 VAL QG 2.800 . 2.800 2.305 1.975 2.566 . 0 0 "[ . 1 ]" 1
260 2 14 TRP HE3 2 19 LEU QD 2.800 . 2.800 2.428 2.106 2.781 . 0 0 "[ . 1 ]" 1
261 2 14 TRP HE3 2 41 VAL QG 3.800 . 3.800 7.231 7.000 7.368 3.568 7 13 [******+****-*] 1
262 2 14 TRP HE3 2 19 LEU HG 3.800 . 3.800 3.003 2.690 3.333 . 0 0 "[ . 1 ]" 1
263 2 14 TRP HE3 2 19 LEU HA 3.800 . 3.800 3.637 3.363 3.808 0.008 5 0 "[ . 1 ]" 1
264 2 14 TRP HE3 2 18 VAL HB 3.800 . 3.800 3.743 3.562 3.917 0.117 4 0 "[ . 1 ]" 1
265 2 14 TRP HE3 2 22 VAL QG 3.800 . 3.800 3.074 2.929 3.309 . 0 0 "[ . 1 ]" 1
266 2 14 TRP HZ2 2 41 VAL QG 3.300 . 3.300 4.453 4.188 4.609 1.309 7 13 [******+*****-] 1
267 2 14 TRP HZ2 2 37 ILE MD 3.800 . 3.800 4.134 4.057 4.295 0.495 1 0 "[ . 1 ]" 1
268 2 14 TRP HZ2 2 37 ILE MG 2.800 . 2.800 3.525 3.295 3.929 1.129 12 12 [********-1*+*] 1
269 2 14 TRP HZ2 2 37 ILE QG 3.800 . 3.800 5.396 5.189 5.903 2.103 12 13 [-**********+*] 1
270 2 14 TRP HZ2 2 37 ILE HB 4.300 . 4.300 6.490 6.261 6.845 2.545 12 13 [*********-*+*] 1
271 2 14 TRP HZ2 2 38 TYR QB 3.800 . 3.800 8.957 8.797 9.369 5.569 12 13 [********-**+*] 1
272 2 14 TRP HE1 2 34 ASN QD . . 4.200 10.923 9.316 11.952 7.752 4 13 [***+-********] 1
273 2 14 TRP HE1 2 37 ILE MG 4.300 . 4.300 5.709 5.475 6.098 1.798 12 13 [*********-*+*] 1
274 2 23 ARG HA 2 33 VAL QG 2.800 . 2.800 2.052 1.828 2.267 . 0 0 "[ . 1 ]" 1
275 2 25 VAL QG 2 40 ARG HE 3.800 . 3.800 2.184 1.940 2.423 . 0 0 "[ . 1 ]" 1
276 2 36 GLU HG3 2 40 ARG HE 3.800 . 3.800 3.152 2.530 3.845 0.045 6 0 "[ . 1 ]" 1
277 2 36 GLU HG2 2 40 ARG HE 3.800 . 3.800 3.326 2.737 3.765 . 0 0 "[ . 1 ]" 1
278 2 26 ALA MB 2 33 VAL H 3.800 . 3.800 3.036 2.751 3.262 . 0 0 "[ . 1 ]" 1
279 2 26 ALA MB 2 33 VAL HA 2.800 . 2.800 1.963 1.877 2.186 . 0 0 "[ . 1 ]" 1
280 2 21 LEU QD 2 50 ARG QB 3.800 . 3.800 14.159 13.606 15.008 11.208 4 13 [***+******-**] 1
281 2 25 VAL QG 2 29 ASN QD 3.800 . 3.800 2.889 2.219 3.617 . 0 0 "[ . 1 ]" 1
282 2 39 GLN QE 2 42 MET ME . . 4.200 3.567 2.926 4.205 0.005 10 0 "[ . 1 ]" 1
283 2 26 ALA MB 2 36 GLU H 3.800 . 3.800 3.730 3.534 3.874 0.074 1 0 "[ . 1 ]" 1
284 2 26 ALA MB 2 33 VAL QG 3.300 . 3.300 1.871 1.766 2.005 0.034 1 0 "[ . 1 ]" 1
285 2 18 VAL QG 2 42 MET ME 3.300 . 3.300 10.702 10.365 10.906 7.606 1 13 [+****-*******] 1
286 2 23 ARG HA 2 26 ALA MB 3.300 . 3.300 2.878 2.539 3.083 . 0 0 "[ . 1 ]" 1
287 2 34 ASN HA 2 37 ILE HB 4.300 . 4.300 3.257 2.930 3.646 . 0 0 "[ . 1 ]" 1
288 2 16 ARG HA 2 19 LEU QD 3.800 . 3.800 2.969 2.708 3.236 . 0 0 "[ . 1 ]" 1
289 2 18 VAL HA 2 21 LEU HB3 3.800 . 3.800 3.086 2.908 3.294 . 0 0 "[ . 1 ]" 1
290 2 18 VAL HA 2 21 LEU HB2 3.800 . 3.800 3.785 3.442 3.859 0.059 9 0 "[ . 1 ]" 1
291 2 39 GLN HA 2 42 MET HB3 3.300 . 3.300 3.350 3.323 3.387 0.087 13 0 "[ . 1 ]" 1
292 2 39 GLN HA 2 42 MET HB2 3.300 . 3.300 2.282 2.162 2.445 . 0 0 "[ . 1 ]" 1
293 2 39 GLN HA 2 42 MET ME 3.800 . 3.800 3.497 2.853 3.810 0.010 9 0 "[ . 1 ]" 1
294 2 42 MET HA 2 45 PHE QD 3.300 . 3.300 2.879 2.580 3.218 . 0 0 "[ . 1 ]" 1
295 2 42 MET HA 2 51 ILE MD 4.300 . 4.300 3.515 3.077 4.122 . 0 0 "[ . 1 ]" 1
296 2 22 VAL HA 2 25 VAL HB 3.800 . 3.800 2.641 2.568 2.749 . 0 0 "[ . 1 ]" 1
297 2 22 VAL HA 2 25 VAL QG 3.800 . 3.800 2.686 2.289 3.020 . 0 0 "[ . 1 ]" 1
298 2 37 ILE HA 2 40 ARG HB3 4.300 . 4.300 4.345 4.201 4.417 0.117 11 0 "[ . 1 ]" 1
299 2 37 ILE HA 2 40 ARG HB2 4.300 . 4.300 2.777 2.694 2.910 . 0 0 "[ . 1 ]" 1
300 2 37 ILE HA 2 37 ILE MD 3.300 . 3.300 2.189 1.894 3.592 0.292 5 0 "[ . 1 ]" 1
301 2 37 ILE HA 2 41 VAL QG 3.300 . 3.300 3.525 3.371 3.732 0.432 9 0 "[ . 1 ]" 1
302 2 33 VAL HA 2 36 GLU QB 3.800 . 3.800 2.369 2.184 2.518 . 0 0 "[ . 1 ]" 1
303 2 14 TRP HA 2 14 TRP HD1 2.800 . 2.800 2.736 2.696 2.808 0.008 9 0 "[ . 1 ]" 1
304 2 10 PHE HA 2 10 PHE QD 2.800 . 2.800 2.657 2.431 2.784 . 0 0 "[ . 1 ]" 1
305 2 10 PHE H 2 10 PHE QD 3.800 . 3.800 4.128 4.081 4.151 0.351 3 0 "[ . 1 ]" 1
306 2 9 GLN H 2 9 GLN QG 3.800 . 3.800 2.889 1.960 3.863 0.063 7 0 "[ . 1 ]" 1
307 2 10 PHE H 2 11 LEU H 3.800 . 3.800 2.541 2.293 2.726 . 0 0 "[ . 1 ]" 1
308 2 10 PHE QE 2 14 TRP HZ2 3.300 . 3.300 3.169 2.944 3.357 0.057 5 0 "[ . 1 ]" 1
309 2 10 PHE QE 2 14 TRP HE1 4.300 . 4.300 3.848 3.659 4.022 . 0 0 "[ . 1 ]" 1
310 2 10 PHE QE 2 34 ASN HA 3.300 . 3.300 7.017 6.645 7.425 4.125 12 13 [********-**+*] 1
311 2 11 LEU H 2 11 LEU HG 3.300 . 3.300 2.375 2.130 2.674 . 0 0 "[ . 1 ]" 1
312 2 11 LEU HA 2 11 LEU HG 3.800 . 3.800 2.934 2.783 3.118 . 0 0 "[ . 1 ]" 1
313 2 11 LEU HA 2 11 LEU QD 2.800 . 2.800 2.040 1.900 2.170 . 0 0 "[ . 1 ]" 1
314 2 14 TRP H 2 14 TRP HB3 3.300 . 3.300 3.472 3.465 3.479 0.179 4 0 "[ . 1 ]" 1
315 2 14 TRP H 2 14 TRP HB2 3.300 . 3.300 2.194 2.154 2.233 . 0 0 "[ . 1 ]" 1
316 2 14 TRP H 2 14 TRP HD1 2.800 . 2.800 2.198 2.048 2.377 . 0 0 "[ . 1 ]" 1
317 2 14 TRP HB3 2 14 TRP HE3 3.300 . 3.300 2.503 2.486 2.531 . 0 0 "[ . 1 ]" 1
318 2 14 TRP HB2 2 14 TRP HE3 3.300 . 3.300 3.455 3.431 3.482 0.182 9 0 "[ . 1 ]" 1
319 2 10 PHE QD 2 11 LEU HG 3.300 . 3.300 2.451 2.119 2.913 . 0 0 "[ . 1 ]" 1
320 2 10 PHE QD 2 11 LEU QD 2.800 . 2.800 2.227 1.958 2.559 . 0 0 "[ . 1 ]" 1
321 2 8 PRO QB 2 11 LEU H 4.300 . 4.300 3.190 3.001 3.416 . 0 0 "[ . 1 ]" 1
322 2 8 PRO HA 2 9 GLN H 2.800 . 2.800 2.357 2.269 2.483 . 0 0 "[ . 1 ]" 1
323 2 8 PRO QB 2 9 GLN H 3.800 . 3.800 2.856 2.529 3.095 . 0 0 "[ . 1 ]" 1
324 2 8 PRO QD 2 11 LEU QD 3.300 . 3.300 2.225 1.970 2.491 . 0 0 "[ . 1 ]" 1
325 2 8 PRO QG 2 11 LEU QD 3.800 . 3.800 1.886 1.778 1.986 0.022 13 0 "[ . 1 ]" 1
326 2 7 MET QG 2 19 LEU QD 3.800 . 3.800 3.463 2.483 3.818 0.018 6 0 "[ . 1 ]" 1
327 2 7 MET QG 2 8 PRO QD 4.300 . 4.300 3.067 2.188 3.378 . 0 0 "[ . 1 ]" 1
328 2 10 PHE QE 2 11 LEU QD 2.800 . 2.800 2.911 2.669 3.202 0.402 2 0 "[ . 1 ]" 1
329 2 10 PHE QE 2 11 LEU HG 3.800 . 3.800 4.462 4.109 4.914 1.114 12 9 "[****.* * * +-]" 1
330 2 10 PHE QE 2 37 ILE HB 3.800 . 3.800 5.852 5.458 6.327 2.527 5 13 [****+-*******] 1
331 2 10 PHE QE 2 37 ILE MG 2.800 . 2.800 3.626 3.296 4.085 1.285 5 12 "[****+ *-*****]" 1
332 2 10 PHE QE 2 33 VAL QG 2.800 . 2.800 4.934 4.433 5.193 2.393 2 13 [*+*********-*] 1
333 2 11 LEU QD 2 37 ILE MG 3.800 . 3.800 3.021 2.902 3.278 . 0 0 "[ . 1 ]" 1
334 2 11 LEU QD 2 37 ILE MD 3.300 . 3.300 2.951 2.119 3.173 . 0 0 "[ . 1 ]" 1
335 2 11 LEU QD 2 19 LEU QD 2.800 . 2.800 2.174 1.930 2.537 . 0 0 "[ . 1 ]" 1
336 2 10 PHE HA 2 34 ASN QD 4.300 . 4.300 8.906 7.938 9.863 5.563 4 13 [***+**-******] 1
337 2 8 PRO QB 2 10 PHE QD 3.800 . 3.800 4.394 4.268 4.674 0.874 2 10 "[*+*** - ****]" 1
338 2 8 PRO QG 2 10 PHE QD 4.300 . 4.300 4.010 3.859 4.330 0.030 2 0 "[ . 1 ]" 1
339 2 11 LEU QD 2 14 TRP HH2 4.300 . 4.300 3.413 3.280 3.563 . 0 0 "[ . 1 ]" 1
340 2 11 LEU QD 2 14 TRP HD1 4.300 . 4.300 3.818 3.599 4.038 . 0 0 "[ . 1 ]" 1
341 2 11 LEU QD 2 14 TRP HZ3 3.800 . 3.800 3.199 3.053 3.342 . 0 0 "[ . 1 ]" 1
342 2 11 LEU QD 2 14 TRP HE3 3.800 . 3.800 2.845 2.614 3.234 . 0 0 "[ . 1 ]" 1
343 2 11 LEU QD 2 14 TRP HZ2 3.800 . 3.800 3.291 3.047 3.466 . 0 0 "[ . 1 ]" 1
344 2 11 LEU QD 2 14 TRP HE1 4.300 . 4.300 3.396 3.212 3.574 . 0 0 "[ . 1 ]" 1
345 2 13 ARG QB 2 14 TRP HD1 4.300 . 4.300 2.525 2.305 2.792 . 0 0 "[ . 1 ]" 1
346 2 13 ARG HA 2 14 TRP H 3.300 . 3.300 3.437 3.326 3.482 0.182 13 0 "[ . 1 ]" 1
347 2 7 MET ME 2 19 LEU QD 4.300 . 4.300 2.130 1.785 2.824 0.015 13 0 "[ . 1 ]" 1
348 2 7 MET ME 2 11 LEU QD 4.300 . 4.300 3.932 3.788 4.038 . 0 0 "[ . 1 ]" 1
349 2 7 MET HA 2 11 LEU QD 4.300 . 4.300 4.217 3.817 4.301 0.001 1 0 "[ . 1 ]" 1
350 2 7 MET QG 2 11 LEU QD 4.300 . 4.300 4.093 3.067 4.323 0.023 12 0 "[ . 1 ]" 1
351 2 14 TRP HZ2 2 38 TYR QD 4.300 . 4.300 9.444 9.254 9.633 5.333 8 13 [*******+-****] 1
352 2 14 TRP HZ3 2 38 TYR QD 4.300 . 4.300 10.241 10.091 10.512 6.212 1 13 [+*******-****] 1
353 2 38 TYR QD 2 39 GLN HA 4.300 . 4.300 4.241 4.046 4.348 0.048 4 0 "[ . 1 ]" 1
354 2 14 TRP HA 2 38 TYR QE 4.300 . 4.300 17.098 16.843 17.370 13.070 8 13 [*******+****-] 1
355 2 14 TRP HA 2 14 TRP HE3 4.300 . 4.300 4.624 4.585 4.669 0.369 2 0 "[ . 1 ]" 1
356 2 14 TRP HD1 2 15 PRO QD 4.300 . 4.300 4.328 4.298 4.367 0.067 9 0 "[ . 1 ]" 1
357 2 8 PRO HA 2 10 PHE QD 4.300 . 4.300 6.921 6.800 7.134 2.834 12 13 [********-**+*] 1
358 2 8 PRO QB 2 11 LEU QD 4.300 . 4.300 3.467 3.266 3.617 . 0 0 "[ . 1 ]" 1
359 2 10 PHE H 2 11 LEU HG 4.300 . 4.300 4.093 3.774 4.364 0.064 5 0 "[ . 1 ]" 1
360 2 35 SER HA 2 38 TYR QD 4.300 . 4.300 3.250 2.761 3.627 . 0 0 "[ . 1 ]" 1
361 2 20 ASP HA 2 23 ARG HE 4.300 . 4.300 3.497 2.026 4.309 0.009 5 0 "[ . 1 ]" 1
362 2 14 TRP HZ2 2 34 ASN HA 4.300 . 4.300 8.542 8.241 8.987 4.687 12 13 [********-**+*] 1
363 2 5 SER HA 2 6 LYS H 2.800 . 2.800 2.514 2.219 3.042 0.242 9 0 "[ . 1 ]" 1
364 2 5 SER QB 2 6 LYS H 3.300 . 3.300 2.690 2.057 3.617 0.317 9 0 "[ . 1 ]" 1
365 2 6 LYS H 2 6 LYS QG 3.800 . 3.800 3.052 1.908 3.839 0.039 13 0 "[ . 1 ]" 1
366 2 6 LYS HA 2 7 MET H 2.800 . 2.800 2.627 2.277 2.893 0.093 10 0 "[ . 1 ]" 1
367 2 16 ARG H 2 19 LEU QD 4.300 . 4.300 4.297 4.160 4.354 0.054 12 0 "[ . 1 ]" 1
368 2 15 PRO HB3 2 16 ARG H 3.300 . 3.300 3.485 3.404 3.642 0.342 4 0 "[ . 1 ]" 1
369 2 15 PRO HA 2 16 ARG H 2.800 . 2.800 2.438 2.266 2.556 . 0 0 "[ . 1 ]" 1
370 2 16 ARG H 2 16 ARG HA 2.800 . 2.800 2.873 2.796 2.909 0.109 5 0 "[ . 1 ]" 1
371 2 16 ARG H 2 16 ARG HB3 2.800 . 2.800 2.385 1.907 3.079 0.279 3 0 "[ . 1 ]" 1
372 2 16 ARG H 2 16 ARG HB2 2.800 . 2.800 2.643 1.891 3.428 0.628 9 1 "[ . +1 ]" 1
373 2 16 ARG H 2 16 ARG QG . . 3.100 3.302 1.918 3.506 0.406 10 0 "[ . 1 ]" 1
374 2 17 GLU H 2 17 GLU HA 2.800 . 2.800 2.862 2.803 2.898 0.098 13 0 "[ . 1 ]" 1
375 2 15 PRO HA 2 17 GLU H . . 4.200 4.245 4.107 4.342 0.142 8 0 "[ . 1 ]" 1
376 2 17 GLU H 2 18 VAL QG . . 4.200 4.029 3.782 4.224 0.024 8 0 "[ . 1 ]" 1
377 2 16 ARG QG 2 17 GLU H 3.800 . 3.800 3.489 2.198 4.296 0.496 3 0 "[ . 1 ]" 1
378 2 15 PRO HB2 2 18 VAL H 3.800 . 3.800 3.215 3.000 3.443 . 0 0 "[ . 1 ]" 1
379 2 18 VAL H 2 19 LEU H 2.800 . 2.800 2.493 2.143 2.814 0.014 8 0 "[ . 1 ]" 1
380 2 19 LEU H 2 19 LEU HG . . 3.100 2.329 1.990 2.686 . 0 0 "[ . 1 ]" 1
381 2 19 LEU H 2 19 LEU QD 3.300 . 3.300 3.095 2.954 3.247 . 0 0 "[ . 1 ]" 1
382 2 19 LEU H 2 22 VAL QG 3.800 . 3.800 3.896 3.854 3.967 0.167 5 0 "[ . 1 ]" 1
383 2 18 VAL HB 2 19 LEU H 3.300 . 3.300 2.481 2.358 2.615 . 0 0 "[ . 1 ]" 1
384 2 18 VAL QG 2 19 LEU H 3.300 . 3.300 3.127 3.010 3.249 . 0 0 "[ . 1 ]" 1
385 2 17 GLU HA 2 20 ASP H . . 3.100 3.281 3.199 3.348 0.248 12 0 "[ . 1 ]" 1
386 2 19 LEU HB3 2 20 ASP H 3.800 . 3.800 3.649 3.351 3.868 0.068 11 0 "[ . 1 ]" 1
387 2 19 LEU HB2 2 20 ASP H 3.800 . 3.800 2.842 2.743 2.985 . 0 0 "[ . 1 ]" 1
388 2 20 ASP H 2 20 ASP HB3 . . 3.100 2.640 2.378 3.108 0.008 12 0 "[ . 1 ]" 1
389 2 20 ASP H 2 20 ASP HB2 . . 3.100 2.288 1.979 2.508 . 0 0 "[ . 1 ]" 1
390 2 16 ARG HA 2 20 ASP H . . 4.200 3.874 3.549 4.233 0.033 8 0 "[ . 1 ]" 1
391 2 19 LEU HA 2 22 VAL H 3.800 . 3.800 3.343 3.200 3.618 . 0 0 "[ . 1 ]" 1
392 2 22 VAL H 2 22 VAL QG 2.800 . 2.800 2.002 1.952 2.038 . 0 0 "[ . 1 ]" 1
393 2 22 VAL HB 2 23 ARG H . . 3.100 2.360 2.223 2.555 . 0 0 "[ . 1 ]" 1
394 2 22 VAL QG 2 23 ARG H . . 3.100 2.919 2.817 2.976 . 0 0 "[ . 1 ]" 1
395 2 22 VAL QG 2 23 ARG H 3.800 . 3.800 3.152 3.052 3.266 . 0 0 "[ . 1 ]" 1
396 2 24 LYS H 2 25 VAL QG 4.300 . 4.300 3.675 3.504 3.782 . 0 0 "[ . 1 ]" 1
397 2 24 LYS H 2 24 LYS QG 3.800 . 3.800 3.258 2.425 3.782 . 0 0 "[ . 1 ]" 1
398 2 23 ARG HG3 2 24 LYS H 4.300 . 4.300 3.432 1.931 4.445 0.145 6 0 "[ . 1 ]" 1
399 2 23 ARG HG2 2 24 LYS H 4.300 . 4.300 3.595 1.987 4.439 0.139 4 0 "[ . 1 ]" 1
400 2 21 LEU HA 2 24 LYS H 2.800 . 2.800 2.763 2.736 2.817 0.017 10 0 "[ . 1 ]" 1
401 2 24 LYS HA 2 27 GLU H 2.800 . 2.800 2.812 2.780 2.850 0.050 8 0 "[ . 1 ]" 1
402 2 27 GLU H 2 27 GLU QG 3.800 . 3.800 3.174 1.930 3.903 0.103 13 0 "[ . 1 ]" 1
403 2 27 GLU H 2 28 GLU H . . 3.100 2.505 2.351 2.635 . 0 0 "[ . 1 ]" 1
404 2 25 VAL HA 2 28 GLU H 3.300 . 3.300 3.412 3.329 3.470 0.170 13 0 "[ . 1 ]" 1
405 2 28 GLU H 2 28 GLU QG . . 3.100 2.678 1.920 3.107 0.007 9 0 "[ . 1 ]" 1
406 2 31 ARG HA 2 32 SER H 2.800 . 2.800 2.827 2.763 2.888 0.088 10 0 "[ . 1 ]" 1
407 2 32 SER HA 2 33 VAL H 2.800 . 2.800 2.574 2.500 2.684 . 0 0 "[ . 1 ]" 1
408 2 32 SER HB3 2 33 VAL H 3.800 . 3.800 2.809 2.207 3.794 . 0 0 "[ . 1 ]" 1
409 2 32 SER HB2 2 33 VAL H 3.800 . 3.800 3.420 2.342 3.866 0.066 10 0 "[ . 1 ]" 1
410 2 33 VAL H 2 33 VAL HB 2.800 . 2.800 2.280 2.214 2.384 . 0 0 "[ . 1 ]" 1
411 2 33 VAL H 2 33 VAL QG 2.800 . 2.800 2.150 1.915 2.368 . 0 0 "[ . 1 ]" 1
412 2 34 ASN HA 2 35 SER H 2.800 . 2.800 2.800 2.778 2.814 0.014 12 0 "[ . 1 ]" 1
413 2 34 ASN HB3 2 35 SER H 3.800 . 3.800 2.980 2.479 3.652 . 0 0 "[ . 1 ]" 1
414 2 34 ASN HB2 2 35 SER H 3.800 . 3.800 3.488 2.840 3.832 0.032 13 0 "[ . 1 ]" 1
415 2 33 VAL HA 2 36 GLU H 3.800 . 3.800 3.142 2.824 3.400 . 0 0 "[ . 1 ]" 1
416 2 36 GLU H 2 36 GLU HB3 3.300 . 3.300 2.685 2.447 2.943 . 0 0 "[ . 1 ]" 1
417 2 36 GLU H 2 36 GLU HB2 3.300 . 3.300 2.160 1.958 2.365 . 0 0 "[ . 1 ]" 1
418 2 37 ILE H 2 37 ILE HB 3.300 . 3.300 2.320 2.229 2.396 . 0 0 "[ . 1 ]" 1
419 2 33 VAL QG 2 37 ILE H 3.800 . 3.800 3.107 2.936 3.411 . 0 0 "[ . 1 ]" 1
420 2 38 TYR H 2 38 TYR HB3 3.300 . 3.300 2.306 2.207 2.375 . 0 0 "[ . 1 ]" 1
421 2 38 TYR H 2 38 TYR HB2 3.300 . 3.300 2.531 2.455 2.623 . 0 0 "[ . 1 ]" 1
422 2 34 ASN HA 2 38 TYR H 3.300 . 3.300 3.223 3.024 3.284 . 0 0 "[ . 1 ]" 1
423 2 40 ARG H 2 42 MET H 3.800 . 3.800 3.548 3.436 3.668 . 0 0 "[ . 1 ]" 1
424 2 41 VAL H 2 41 VAL QG . . 2.800 2.448 2.198 2.698 . 0 0 "[ . 1 ]" 1
425 2 39 GLN HA 2 42 MET H 3.800 . 3.800 3.188 3.092 3.337 . 0 0 "[ . 1 ]" 1
426 2 41 VAL QG 2 42 MET H 3.800 . 3.800 3.275 3.166 3.388 . 0 0 "[ . 1 ]" 1
427 2 41 VAL HB 2 42 MET H 2.800 . 2.800 2.852 2.783 2.927 0.127 6 0 "[ . 1 ]" 1
428 2 42 MET H 2 42 MET HB3 . . 3.100 3.168 3.113 3.211 0.111 3 0 "[ . 1 ]" 1
429 2 42 MET H 2 42 MET HB2 . . 3.100 1.942 1.934 1.952 . 0 0 "[ . 1 ]" 1
430 2 42 MET H 2 42 MET QG 3.300 . 3.300 3.368 3.295 3.432 0.132 8 0 "[ . 1 ]" 1
431 2 43 GLU H 2 43 GLU HG3 3.800 . 3.800 3.131 2.071 3.761 . 0 0 "[ . 1 ]" 1
432 2 43 GLU H 2 43 GLU HG2 3.800 . 3.800 3.034 1.950 3.792 . 0 0 "[ . 1 ]" 1
433 2 45 PHE H 2 46 LYS H 2.800 . 2.800 2.687 2.545 2.827 0.027 9 0 "[ . 1 ]" 1
434 2 45 PHE QB 2 46 LYS H 3.300 . 3.300 2.714 2.441 3.091 . 0 0 "[ . 1 ]" 1
435 2 44 SER HA 2 47 LYS H 2.800 . 2.800 2.756 2.699 2.850 0.050 5 0 "[ . 1 ]" 1
436 2 51 ILE HB 2 52 GLY H 3.300 . 3.300 2.459 1.955 3.381 0.081 2 0 "[ . 1 ]" 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 936
_Distance_constraint_stats_list.Viol_count 1213
_Distance_constraint_stats_list.Viol_total 53433.918
_Distance_constraint_stats_list.Viol_max 14.398
_Distance_constraint_stats_list.Viol_rms 1.5033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3378
_Distance_constraint_stats_list.Viol_average_violations_only 3.3885
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 7 MET 0.236 0.081 10 0 "[ . 1 ]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 9 GLN 0.032 0.032 1 0 "[ . 1 ]"
1 10 PHE 258.466 4.915 2 13 [*+**********-]
1 11 LEU 0.796 0.300 4 0 "[ . 1 ]"
1 12 ASN 0.086 0.054 10 0 "[ . 1 ]"
1 13 ARG 173.570 8.215 12 13 [****-******+*]
1 14 TRP 446.375 7.941 4 13 [***+*********]
1 15 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 16 ARG 0.549 0.132 2 0 "[ . 1 ]"
1 17 GLU 83.662 6.838 4 13 [***+********-]
1 18 VAL 200.795 5.861 12 13 [***********+-]
1 19 LEU 50.729 4.058 1 13 [+**********-*]
1 20 ASP 1.347 0.143 4 0 "[ . 1 ]"
1 21 LEU 509.393 11.985 10 13 [**-******+***]
1 22 VAL 233.646 14.398 10 13 [*********+*-*]
1 23 ARG 10.320 1.081 12 11 "[***-*****1*+ ]"
1 24 LYS 0.434 0.090 6 0 "[ . 1 ]"
1 25 VAL 198.455 10.341 5 13 [**-*+********]
1 26 ALA 1.127 0.194 7 0 "[ . 1 ]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 28 GLU 1.590 0.194 7 0 "[ . 1 ]"
1 29 ASN 0.555 0.094 10 0 "[ . 1 ]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 31 ARG 1.144 0.126 9 0 "[ . 1 ]"
1 32 SER 0.530 0.107 1 0 "[ . 1 ]"
1 33 VAL 58.397 4.915 2 13 [*+******-****]
1 34 ASN 337.357 8.215 12 13 [***********+-]
1 35 SER 45.651 3.816 12 13 [*****-*****+*]
1 36 GLU 50.724 3.895 5 13 [****+**-*****]
1 37 ILE 61.622 3.035 5 13 [****+********]
1 38 TYR 228.174 6.665 12 13 [*********-*+*]
1 39 GLN 144.834 5.861 12 13 [*****-*****+*]
1 40 ARG 87.965 6.674 8 13 [**-****+*****]
1 41 VAL 266.553 6.838 4 13 [***+-********]
1 42 MET 0.033 0.033 6 0 "[ . 1 ]"
1 43 GLU 0.007 0.007 8 0 "[ . 1 ]"
1 44 SER 0.000 0.000 . 0 "[ . 1 ]"
1 45 PHE 437.148 14.398 10 13 [**-******+***]
1 46 LYS 3.833 1.218 7 4 "[ - * +* 1 ]"
1 47 LYS 0.045 0.023 9 0 "[ . 1 ]"
1 48 GLU 0.100 0.046 9 0 "[ . 1 ]"
1 49 GLY 0.035 0.021 1 0 "[ . 1 ]"
1 50 ARG 273.420 11.830 4 13 [*-*+*********]
1 51 ILE 393.036 11.985 10 13 [*********+*-*]
1 52 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 53 ALA 0.015 0.015 2 0 "[ . 1 ]"
2 6 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 7 MET 0.233 0.078 10 0 "[ . 1 ]"
2 8 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 9 GLN 0.033 0.033 1 0 "[ . 1 ]"
2 10 PHE 258.321 4.886 2 13 [*+**********-]
2 11 LEU 0.810 0.302 4 0 "[ . 1 ]"
2 12 ASN 0.085 0.050 10 0 "[ . 1 ]"
2 13 ARG 173.597 8.219 12 13 [****-******+*]
2 14 TRP 446.849 7.948 4 13 [***+*********]
2 15 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 16 ARG 0.531 0.131 2 0 "[ . 1 ]"
2 17 GLU 83.638 6.835 4 13 [***+********-]
2 18 VAL 200.743 5.860 12 13 [***********+-]
2 19 LEU 50.698 4.061 1 13 [+**********-*]
2 20 ASP 1.309 0.139 4 0 "[ . 1 ]"
2 21 LEU 509.370 11.982 10 13 [**-******+***]
2 22 VAL 233.600 14.380 10 13 [*********+*-*]
2 23 ARG 10.288 1.039 12 11 "[***-*****1*+ ]"
2 24 LYS 0.455 0.094 6 0 "[ . 1 ]"
2 25 VAL 198.466 10.339 5 13 [**-*+********]
2 26 ALA 1.126 0.193 6 0 "[ . 1 ]"
2 27 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 28 GLU 1.610 0.193 6 0 "[ . 1 ]"
2 29 ASN 0.577 0.101 10 0 "[ . 1 ]"
2 30 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 31 ARG 1.171 0.122 9 0 "[ . 1 ]"
2 32 SER 0.540 0.106 1 0 "[ . 1 ]"
2 33 VAL 58.357 4.886 2 13 [*+******-****]
2 34 ASN 337.409 8.219 12 13 [***********+-]
2 35 SER 45.626 3.822 12 13 [*****-*****+*]
2 36 GLU 50.732 3.904 5 13 [****+**-*****]
2 37 ILE 61.605 3.038 5 13 [****+********]
2 38 TYR 228.421 6.653 12 13 [*********-*+*]
2 39 GLN 144.905 5.860 12 13 [*****-*****+*]
2 40 ARG 87.912 6.668 1 13 [+*-**********]
2 41 VAL 266.520 6.835 4 13 [***+-********]
2 42 MET 0.035 0.035 6 0 "[ . 1 ]"
2 43 GLU 0.011 0.011 8 0 "[ . 1 ]"
2 44 SER 0.000 0.000 . 0 "[ . 1 ]"
2 45 PHE 437.028 14.380 10 13 [**-******+***]
2 46 LYS 3.869 1.220 7 4 "[ - * +* 1 ]"
2 47 LYS 0.047 0.025 7 0 "[ . 1 ]"
2 48 GLU 0.090 0.043 9 0 "[ . 1 ]"
2 49 GLY 0.035 0.022 1 0 "[ . 1 ]"
2 50 ARG 273.399 11.826 4 13 [*-*+*********]
2 51 ILE 393.012 11.982 10 13 [*********+*-*]
2 52 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 53 ALA 0.024 0.024 2 0 "[ . 1 ]"
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 12 ASN HA 1 13 ARG H 4.000 . 4.200 3.499 3.472 3.535 . 0 0 "[ . 1 ]" 2
2 1 16 ARG HA 1 17 GLU H 4.000 . 4.200 3.506 3.480 3.537 . 0 0 "[ . 1 ]" 2
3 1 18 VAL HA 1 19 LEU H 4.000 . 4.200 3.573 3.542 3.593 . 0 0 "[ . 1 ]" 2
4 1 20 ASP HA 1 21 LEU H 4.000 . 4.200 3.499 3.482 3.540 . 0 0 "[ . 1 ]" 2
5 1 22 VAL HA 1 23 ARG H 4.000 . 4.200 3.573 3.542 3.590 . 0 0 "[ . 1 ]" 2
6 1 23 ARG HA 1 24 LYS H 4.000 . 4.200 3.566 3.521 3.593 . 0 0 "[ . 1 ]" 2
7 1 23 ARG HA 1 26 ALA H 4.000 . 4.200 3.155 3.066 3.225 . 0 0 "[ . 1 ]" 2
8 1 26 ALA HA 1 27 GLU H 5.000 . 5.300 3.544 3.507 3.575 . 0 0 "[ . 1 ]" 2
9 1 28 GLU HA 1 29 ASN H 4.000 . 4.200 3.574 3.515 3.594 . 0 0 "[ . 1 ]" 2
10 1 29 ASN HA 1 30 GLY H 4.000 . 4.200 3.505 3.271 3.594 . 0 0 "[ . 1 ]" 2
11 1 30 GLY QA 1 31 ARG H 3.000 . 3.100 2.776 2.462 2.912 . 0 0 "[ . 1 ]" 2
12 1 33 VAL HA 1 34 ASN H 4.000 . 4.200 3.475 3.416 3.517 . 0 0 "[ . 1 ]" 2
13 1 34 ASN HA 1 36 GLU H 4.000 . 4.200 3.413 3.371 3.449 . 0 0 "[ . 1 ]" 2
14 1 37 ILE HA 1 38 TYR H 5.000 . 5.300 3.508 3.487 3.541 . 0 0 "[ . 1 ]" 2
15 1 38 TYR HA 1 39 GLN H 4.000 . 4.200 3.545 3.501 3.567 . 0 0 "[ . 1 ]" 2
16 1 39 GLN HA 1 40 ARG H 5.000 . 5.300 3.577 3.556 3.593 . 0 0 "[ . 1 ]" 2
17 1 40 ARG HA 1 41 VAL H 4.000 . 4.200 3.499 3.481 3.556 . 0 0 "[ . 1 ]" 2
18 1 42 MET HA 1 43 GLU H 4.000 . 4.200 3.549 3.481 3.594 . 0 0 "[ . 1 ]" 2
19 1 48 GLU HA 1 49 GLY H 4.000 . 4.200 3.415 3.134 3.474 . 0 0 "[ . 1 ]" 2
20 1 49 GLY HA3 1 50 ARG H 4.000 . 4.200 3.502 3.406 3.564 . 0 0 "[ . 1 ]" 2
21 1 49 GLY HA2 1 50 ARG H 4.000 . 4.200 2.989 2.784 3.214 . 0 0 "[ . 1 ]" 2
22 1 49 GLY QA 1 51 ILE H 5.000 . 5.300 3.723 3.422 4.199 . 0 0 "[ . 1 ]" 2
23 1 11 LEU HA 1 13 ARG H 5.000 . 5.300 3.453 3.306 3.685 . 0 0 "[ . 1 ]" 2
24 1 12 ASN HA 1 14 TRP H 4.000 . 4.200 4.053 3.841 4.198 . 0 0 "[ . 1 ]" 2
25 1 16 ARG HA 1 18 VAL H 5.000 . 5.300 4.247 3.747 4.876 . 0 0 "[ . 1 ]" 2
26 1 18 VAL HA 1 20 ASP H 4.000 . 4.200 4.188 4.062 4.266 0.066 1 0 "[ . 1 ]" 2
27 1 20 ASP HA 1 22 VAL H 5.000 . 5.300 4.681 4.524 4.864 . 0 0 "[ . 1 ]" 2
28 1 22 VAL HA 1 24 LYS H 5.000 . 5.300 4.614 4.118 5.025 . 0 0 "[ . 1 ]" 2
29 1 26 ALA HA 1 28 GLU H 6.000 . 6.400 3.978 3.857 4.131 . 0 0 "[ . 1 ]" 2
30 1 32 SER HA 1 34 ASN H 4.000 . 4.200 4.236 4.150 4.307 0.107 1 0 "[ . 1 ]" 2
31 1 33 VAL HA 1 35 SER H 5.000 . 5.300 4.052 3.759 4.415 . 0 0 "[ . 1 ]" 2
32 1 37 ILE HA 1 39 GLN H 6.000 . 6.400 4.248 4.047 4.414 . 0 0 "[ . 1 ]" 2
33 1 39 GLN HA 1 41 VAL H 6.000 . 6.400 4.057 3.910 4.550 . 0 0 "[ . 1 ]" 2
34 1 41 VAL HA 1 43 GLU H 6.000 . 6.400 4.560 3.918 5.229 . 0 0 "[ . 1 ]" 2
35 1 51 ILE HA 1 52 GLY H 4.000 . 4.200 2.802 2.272 3.589 . 0 0 "[ . 1 ]" 2
36 1 9 GLN HA 1 12 ASN H 4.000 . 4.200 3.921 3.712 4.123 . 0 0 "[ . 1 ]" 2
37 1 15 PRO HA 1 18 VAL H 6.000 . 6.400 4.904 4.798 5.121 . 0 0 "[ . 1 ]" 2
38 1 16 ARG HA 1 19 LEU H 4.000 . 4.200 3.533 3.184 3.871 . 0 0 "[ . 1 ]" 2
39 1 18 VAL HA 1 21 LEU H 4.000 . 4.200 3.539 3.454 3.607 . 0 0 "[ . 1 ]" 2
40 1 20 ASP HA 1 23 ARG H 4.000 . 4.200 4.017 3.781 4.165 . 0 0 "[ . 1 ]" 2
41 1 26 ALA HA 1 29 ASN H 4.000 . 4.200 3.864 3.542 4.165 . 0 0 "[ . 1 ]" 2
42 1 27 GLU HA 1 30 GLY H 4.000 . 4.200 3.777 3.479 4.074 . 0 0 "[ . 1 ]" 2
43 1 32 SER HA 1 35 SER H 6.000 . 6.400 4.825 4.623 5.045 . 0 0 "[ . 1 ]" 2
44 1 34 ASN HA 1 37 ILE H 4.000 . 4.200 3.723 3.536 3.959 . 0 0 "[ . 1 ]" 2
45 1 37 ILE HA 1 40 ARG H 5.000 . 5.300 3.574 3.372 3.796 . 0 0 "[ . 1 ]" 2
46 1 41 VAL HA 1 44 SER H 4.000 . 4.200 3.643 3.423 3.946 . 0 0 "[ . 1 ]" 2
47 1 42 MET HA 1 45 PHE H 4.000 . 4.200 3.926 3.615 4.233 0.033 6 0 "[ . 1 ]" 2
48 1 43 GLU HA 1 46 LYS H 4.000 . 4.200 3.396 3.185 3.653 . 0 0 "[ . 1 ]" 2
49 1 45 PHE HA 1 48 GLU H 4.000 . 4.200 3.754 3.396 4.024 . 0 0 "[ . 1 ]" 2
50 1 10 PHE HA 1 14 TRP H 6.000 . 6.400 6.302 6.186 6.430 0.030 9 0 "[ . 1 ]" 2
51 1 20 ASP HA 1 24 LYS H 5.000 . 5.300 4.722 4.371 5.057 . 0 0 "[ . 1 ]" 2
52 1 23 ARG HA 1 27 GLU H 4.000 . 4.200 3.916 3.804 4.078 . 0 0 "[ . 1 ]" 2
53 1 25 VAL HA 1 29 ASN H 4.000 . 4.200 4.173 4.047 4.294 0.094 10 0 "[ . 1 ]" 2
54 1 26 ALA HA 1 30 GLY H 6.000 . 6.400 4.358 4.064 5.108 . 0 0 "[ . 1 ]" 2
55 1 27 GLU HA 1 31 ARG H 4.000 . 4.200 3.893 3.238 4.183 . 0 0 "[ . 1 ]" 2
56 1 37 ILE HA 1 41 VAL H 5.000 . 5.300 4.164 3.777 4.326 . 0 0 "[ . 1 ]" 2
57 1 39 GLN HA 1 43 GLU H 5.000 . 5.300 4.116 3.673 4.435 . 0 0 "[ . 1 ]" 2
58 1 42 MET HA 1 46 LYS H 5.000 . 5.300 4.868 4.588 5.051 . 0 0 "[ . 1 ]" 2
59 1 26 ALA HA 1 31 ARG H 4.000 . 4.200 3.553 3.225 3.831 . 0 0 "[ . 1 ]" 2
60 1 26 ALA H 1 33 VAL HA 6.000 . 6.400 4.365 4.023 4.520 . 0 0 "[ . 1 ]" 2
61 1 9 GLN H 1 10 PHE H 6.000 . 6.400 2.574 2.355 2.710 . 0 0 "[ . 1 ]" 2
62 1 11 LEU H 1 12 ASN H 3.000 . 3.100 2.769 2.660 2.906 . 0 0 "[ . 1 ]" 2
63 1 12 ASN H 1 13 ARG H 4.000 . 4.200 2.539 2.427 2.647 . 0 0 "[ . 1 ]" 2
64 1 16 ARG H 1 17 GLU H 4.000 . 4.200 2.533 2.364 2.791 . 0 0 "[ . 1 ]" 2
65 1 17 GLU H 1 18 VAL H 4.000 . 4.200 2.703 2.505 2.918 . 0 0 "[ . 1 ]" 2
66 1 19 LEU H 1 20 ASP H 3.000 . 3.100 2.672 2.628 2.816 . 0 0 "[ . 1 ]" 2
67 1 20 ASP H 1 21 LEU H 3.000 . 3.100 2.552 2.463 2.669 . 0 0 "[ . 1 ]" 2
68 1 21 LEU H 1 22 VAL H 4.000 . 4.200 2.419 2.301 2.611 . 0 0 "[ . 1 ]" 2
69 1 22 VAL H 1 23 ARG H 4.000 . 4.200 2.823 2.738 2.913 . 0 0 "[ . 1 ]" 2
70 1 23 ARG H 1 24 LYS H 3.000 . 3.100 2.853 2.672 3.106 0.006 5 0 "[ . 1 ]" 2
71 1 24 LYS H 1 25 VAL H 3.000 . 3.100 2.618 2.347 2.846 . 0 0 "[ . 1 ]" 2
72 1 26 ALA H 1 27 GLU H 4.000 . 4.200 2.545 2.358 2.681 . 0 0 "[ . 1 ]" 2
73 1 28 GLU H 1 29 ASN H 4.000 . 4.200 2.514 2.278 2.659 . 0 0 "[ . 1 ]" 2
74 1 30 GLY H 1 31 ARG H 3.000 . 3.100 2.207 2.038 2.698 . 0 0 "[ . 1 ]" 2
75 1 32 SER H 1 33 VAL H 5.000 . 5.300 4.517 4.466 4.593 . 0 0 "[ . 1 ]" 2
76 1 33 VAL H 1 34 ASN H 4.000 . 4.200 2.475 2.370 2.583 . 0 0 "[ . 1 ]" 2
77 1 34 ASN H 1 35 SER H 4.000 . 4.200 2.459 2.331 2.640 . 0 0 "[ . 1 ]" 2
78 1 35 SER H 1 36 GLU H 4.000 . 4.200 2.367 2.276 2.549 . 0 0 "[ . 1 ]" 2
79 1 36 GLU H 1 37 ILE H 4.000 . 4.200 2.729 2.531 2.859 . 0 0 "[ . 1 ]" 2
80 1 37 ILE H 1 38 TYR H 4.000 . 4.200 2.579 2.389 2.701 . 0 0 "[ . 1 ]" 2
81 1 38 TYR H 1 39 GLN H 4.000 . 4.200 2.566 2.468 2.660 . 0 0 "[ . 1 ]" 2
82 1 39 GLN H 1 40 ARG H 4.000 . 4.200 2.579 2.502 2.683 . 0 0 "[ . 1 ]" 2
83 1 40 ARG H 1 41 VAL H 4.000 . 4.200 2.629 2.503 2.711 . 0 0 "[ . 1 ]" 2
84 1 41 VAL H 1 42 MET H 4.000 . 4.200 2.319 2.256 2.556 . 0 0 "[ . 1 ]" 2
85 1 42 MET H 1 43 GLU H 4.000 . 4.200 2.651 2.460 3.006 . 0 0 "[ . 1 ]" 2
86 1 43 GLU H 1 44 SER H 4.000 . 4.200 2.607 2.383 2.886 . 0 0 "[ . 1 ]" 2
87 1 44 SER H 1 45 PHE H 4.000 . 4.200 2.828 2.546 3.049 . 0 0 "[ . 1 ]" 2
88 1 46 LYS H 1 47 LYS H 4.000 . 4.200 2.634 2.399 2.838 . 0 0 "[ . 1 ]" 2
89 1 47 LYS H 1 48 GLU H 3.000 . 3.100 2.788 2.542 3.076 . 0 0 "[ . 1 ]" 2
90 1 48 GLU H 1 49 GLY H 3.000 . 3.100 2.524 2.122 2.939 . 0 0 "[ . 1 ]" 2
91 1 50 ARG H 1 51 ILE H 3.000 . 3.100 2.556 2.341 2.922 . 0 0 "[ . 1 ]" 2
92 1 51 ILE H 1 52 GLY H 5.000 . 5.300 4.054 2.428 4.611 . 0 0 "[ . 1 ]" 2
93 1 52 GLY H 1 53 ALA H 5.000 . 5.300 2.318 1.952 3.335 . 0 0 "[ . 1 ]" 2
94 1 16 ARG H 1 18 VAL H 5.000 . 5.300 4.292 4.041 4.678 . 0 0 "[ . 1 ]" 2
95 1 17 GLU H 1 19 LEU H 5.000 . 5.300 4.273 4.003 4.581 . 0 0 "[ . 1 ]" 2
96 1 18 VAL H 1 20 ASP H 5.000 . 5.300 3.851 3.563 4.127 . 0 0 "[ . 1 ]" 2
97 1 19 LEU H 1 21 LEU H 5.000 . 5.300 4.163 4.078 4.321 . 0 0 "[ . 1 ]" 2
98 1 20 ASP H 1 22 VAL H 4.000 . 4.200 4.188 4.077 4.268 0.068 6 0 "[ . 1 ]" 2
99 1 21 LEU H 1 23 ARG H 5.000 . 5.300 4.130 3.967 4.351 . 0 0 "[ . 1 ]" 2
100 1 26 ALA H 1 28 GLU H 5.000 . 5.300 3.841 3.651 3.937 . 0 0 "[ . 1 ]" 2
101 1 27 GLU H 1 29 ASN H 5.000 . 5.300 4.558 4.055 4.876 . 0 0 "[ . 1 ]" 2
102 1 28 GLU H 1 30 GLY H 4.000 . 4.200 3.749 3.543 4.173 . 0 0 "[ . 1 ]" 2
103 1 29 ASN H 1 31 ARG H 5.000 . 5.300 4.158 3.540 4.813 . 0 0 "[ . 1 ]" 2
104 1 33 VAL H 1 35 SER H 6.000 . 6.400 4.150 4.002 4.385 . 0 0 "[ . 1 ]" 2
105 1 35 SER H 1 37 ILE H 6.000 . 6.400 4.209 3.966 4.408 . 0 0 "[ . 1 ]" 2
106 1 40 ARG H 1 42 MET H 6.000 . 6.400 4.007 3.854 4.134 . 0 0 "[ . 1 ]" 2
107 1 41 VAL H 1 43 GLU H 6.000 . 6.400 4.209 3.796 4.906 . 0 0 "[ . 1 ]" 2
108 1 42 MET H 1 44 SER H 6.000 . 6.400 3.969 3.722 4.183 . 0 0 "[ . 1 ]" 2
109 1 43 GLU H 1 45 PHE H 6.000 . 6.400 4.629 4.257 4.929 . 0 0 "[ . 1 ]" 2
110 1 46 LYS H 1 48 GLU H 6.000 . 6.400 4.475 4.128 4.985 . 0 0 "[ . 1 ]" 2
111 1 47 LYS H 1 49 GLY H 6.000 . 6.400 4.140 3.745 4.673 . 0 0 "[ . 1 ]" 2
112 1 16 ARG H 1 20 ASP H 6.000 . 6.400 5.997 5.780 6.160 . 0 0 "[ . 1 ]" 2
113 1 16 ARG H 1 19 LEU H 6.000 . 6.400 4.944 4.749 5.103 . 0 0 "[ . 1 ]" 2
114 1 17 GLU H 1 20 ASP H 6.000 . 6.400 4.818 4.678 5.088 . 0 0 "[ . 1 ]" 2
115 1 19 LEU H 1 22 VAL H 6.000 . 6.400 4.883 4.807 4.994 . 0 0 "[ . 1 ]" 2
116 1 20 ASP H 1 23 ARG H 5.000 . 5.300 5.099 4.967 5.251 . 0 0 "[ . 1 ]" 2
117 1 27 GLU H 1 30 GLY H 6.000 . 6.400 4.998 4.750 5.347 . 0 0 "[ . 1 ]" 2
118 1 27 GLU H 1 31 ARG H 6.000 . 6.400 5.175 4.878 5.267 . 0 0 "[ . 1 ]" 2
119 1 28 GLU H 1 31 ARG H 5.000 . 5.300 3.993 3.897 4.167 . 0 0 "[ . 1 ]" 2
120 1 32 SER H 1 35 SER H 5.000 . 5.300 3.682 3.425 4.369 . 0 0 "[ . 1 ]" 2
121 1 32 SER H 1 36 GLU H 6.000 . 6.400 4.435 4.096 5.261 . 0 0 "[ . 1 ]" 2
122 1 34 ASN H 1 37 ILE H 5.000 . 5.300 4.923 4.728 5.210 . 0 0 "[ . 1 ]" 2
123 1 35 SER H 1 38 TYR H 6.000 . 6.400 4.584 4.516 4.675 . 0 0 "[ . 1 ]" 2
124 1 37 ILE H 1 41 VAL H 6.000 . 6.400 6.150 5.990 6.291 . 0 0 "[ . 1 ]" 2
125 1 38 TYR H 1 41 VAL H 6.000 . 6.400 4.750 4.687 4.831 . 0 0 "[ . 1 ]" 2
126 1 37 ILE H 1 42 MET H 6.000 . 6.400 6.284 6.122 6.390 . 0 0 "[ . 1 ]" 2
127 1 43 GLU H 1 46 LYS H 5.000 . 5.300 5.017 4.820 5.107 . 0 0 "[ . 1 ]" 2
128 1 45 PHE H 1 49 GLY H 6.000 . 6.400 5.723 5.506 5.961 . 0 0 "[ . 1 ]" 2
129 1 46 LYS H 1 49 GLY H 6.000 . 6.400 4.535 4.273 4.880 . 0 0 "[ . 1 ]" 2
130 1 14 TRP HA 1 14 TRP HE1 5.000 . 5.300 4.715 4.681 4.764 . 0 0 "[ . 1 ]" 2
131 1 11 LEU QB 1 14 TRP HE1 6.000 . 6.400 4.977 4.709 5.117 . 0 0 "[ . 1 ]" 2
132 1 13 ARG HB3 1 14 TRP HE1 6.000 . 6.400 4.514 4.035 5.114 . 0 0 "[ . 1 ]" 2
133 1 13 ARG HB2 1 14 TRP HE1 6.000 . 6.400 4.758 3.982 5.528 . 0 0 "[ . 1 ]" 2
134 1 10 PHE QD 1 14 TRP HE1 6.000 . 6.400 4.972 4.623 5.189 . 0 0 "[ . 1 ]" 2
135 1 14 TRP HE1 1 38 TYR QD 5.000 . 5.300 11.735 11.528 11.965 6.665 12 13 [***********+-] 2
136 1 14 TRP HE1 1 38 TYR H 6.000 . 6.400 11.303 11.021 11.778 5.378 12 13 [*********-*+*] 2
137 1 14 TRP H 1 14 TRP HE1 5.000 . 5.300 4.598 4.450 4.784 . 0 0 "[ . 1 ]" 2
138 1 34 ASN H 1 34 ASN QD . . 5.300 4.519 4.359 4.657 . 0 0 "[ . 1 ]" 2
139 1 10 PHE QB 1 34 ASN QD 6.000 . 6.400 5.823 4.967 6.700 0.300 4 0 "[ . 1 ]" 2
140 1 33 VAL QG 1 34 ASN QD 6.000 . 6.400 5.382 4.408 5.900 . 0 0 "[ . 1 ]" 2
141 1 14 TRP HD1 1 34 ASN QD 5.000 . 5.300 12.073 10.571 13.241 7.941 4 13 [***+-********] 2
142 1 10 PHE QE 1 34 ASN QD 5.000 . 5.300 6.913 5.629 7.547 2.247 8 12 [****.**+****-] 2
143 1 13 ARG QB 1 34 ASN QD 6.000 . 6.400 11.942 10.539 13.125 6.725 4 13 [***+-********] 2
144 1 7 MET QB 1 12 ASN HD22 6.000 . 6.400 4.724 2.907 6.218 . 0 0 "[ . 1 ]" 2
145 1 7 MET QB 1 12 ASN HD21 6.000 . 6.400 4.441 2.368 6.140 . 0 0 "[ . 1 ]" 2
146 1 9 GLN HA 1 12 ASN HD22 4.000 . 4.200 3.928 3.307 4.195 . 0 0 "[ . 1 ]" 2
147 1 9 GLN HA 1 12 ASN HD21 4.000 . 4.200 2.600 2.226 3.160 . 0 0 "[ . 1 ]" 2
148 1 12 ASN HA 1 12 ASN HD22 5.000 . 5.300 3.754 3.336 4.305 . 0 0 "[ . 1 ]" 2
149 1 12 ASN HB3 1 12 ASN HD22 4.000 . 4.200 4.035 3.800 4.124 . 0 0 "[ . 1 ]" 2
150 1 12 ASN HB2 1 12 ASN HD22 4.000 . 4.200 3.571 3.513 3.673 . 0 0 "[ . 1 ]" 2
151 1 9 GLN QG 1 12 ASN HD22 5.000 . 5.300 4.442 3.262 5.332 0.032 1 0 "[ . 1 ]" 2
152 1 9 GLN QG 1 12 ASN HD21 5.000 . 5.300 3.750 2.838 4.690 . 0 0 "[ . 1 ]" 2
153 1 11 LEU QB 1 12 ASN QD 6.000 . 6.400 5.267 4.570 6.267 . 0 0 "[ . 1 ]" 2
154 1 7 MET QG 1 9 GLN QE 6.000 . 6.400 5.808 3.210 6.395 . 0 0 "[ . 1 ]" 2
155 1 9 GLN HA 1 9 GLN HE22 6.000 . 6.400 4.027 3.167 5.152 . 0 0 "[ . 1 ]" 2
156 1 9 GLN HA 1 9 GLN HE21 6.000 . 6.400 2.980 2.285 3.872 . 0 0 "[ . 1 ]" 2
157 1 25 VAL QG 1 29 ASN HD22 4.000 . 4.200 3.498 2.930 4.157 . 0 0 "[ . 1 ]" 2
158 1 25 VAL QG 1 29 ASN HD21 4.000 . 4.200 3.176 2.297 4.146 . 0 0 "[ . 1 ]" 2
159 1 26 ALA HA 1 29 ASN HD21 6.000 . 6.400 4.672 4.124 5.508 . 0 0 "[ . 1 ]" 2
160 1 26 ALA HA 1 29 ASN HD22 6.000 . 6.400 5.964 4.911 6.430 0.030 13 0 "[ . 1 ]" 2
161 1 25 VAL HA 1 29 ASN QD 6.000 . 6.400 4.544 3.341 5.692 . 0 0 "[ . 1 ]" 2
162 1 29 ASN QD 1 31 ARG QG 6.000 . 6.400 4.453 3.752 5.102 . 0 0 "[ . 1 ]" 2
163 1 38 TYR QD 1 39 GLN HE22 5.000 . 5.300 3.732 2.370 4.654 . 0 0 "[ . 1 ]" 2
164 1 38 TYR QD 1 39 GLN HE21 5.000 . 5.300 3.358 2.257 4.892 . 0 0 "[ . 1 ]" 2
165 1 38 TYR QE 1 39 GLN HE22 5.000 . 5.300 4.198 3.003 4.856 . 0 0 "[ . 1 ]" 2
166 1 38 TYR QE 1 39 GLN HE21 5.000 . 5.300 4.113 3.138 4.823 . 0 0 "[ . 1 ]" 2
167 1 39 GLN HA 1 39 GLN HE22 5.000 . 5.300 4.027 3.304 4.687 . 0 0 "[ . 1 ]" 2
168 1 39 GLN HA 1 39 GLN HE21 5.000 . 5.300 3.161 2.594 4.146 . 0 0 "[ . 1 ]" 2
169 1 39 GLN QB 1 39 GLN HE22 4.000 . 4.200 3.875 3.232 4.272 0.072 3 0 "[ . 1 ]" 2
170 1 39 GLN QB 1 39 GLN HE21 4.000 . 4.200 3.345 1.937 4.054 . 0 0 "[ . 1 ]" 2
171 1 39 GLN HE22 1 39 GLN HG3 4.000 . 4.200 3.746 3.510 4.109 . 0 0 "[ . 1 ]" 2
172 1 39 GLN HE22 1 39 GLN HG2 4.000 . 4.200 3.835 3.517 4.117 . 0 0 "[ . 1 ]" 2
173 1 39 GLN HE22 1 40 ARG QG 6.000 . 6.400 4.934 3.819 5.739 . 0 0 "[ . 1 ]" 2
174 1 39 GLN HE21 1 40 ARG QG 6.000 . 6.400 4.302 3.754 5.162 . 0 0 "[ . 1 ]" 2
175 1 18 VAL QG 1 39 GLN QE 6.000 . 6.400 11.747 10.875 12.261 5.861 12 13 [*****-*****+*] 2
176 1 48 GLU QB 1 50 ARG HE 6.000 . 6.400 4.110 2.558 5.589 . 0 0 "[ . 1 ]" 2
177 1 48 GLU HA 1 50 ARG HE 6.000 . 6.400 4.158 2.389 5.039 . 0 0 "[ . 1 ]" 2
178 1 23 ARG HA 1 23 ARG HE 6.000 . 6.400 4.805 3.068 5.869 . 0 0 "[ . 1 ]" 2
179 1 23 ARG QB 1 23 ARG HE 4.000 . 4.200 2.594 1.976 3.586 . 0 0 "[ . 1 ]" 2
180 1 19 LEU QD 1 23 ARG HE 6.000 . 6.400 5.489 4.069 6.403 0.003 11 0 "[ . 1 ]" 2
181 1 25 VAL HB 1 40 ARG HE 5.000 . 5.300 3.707 3.321 3.998 . 0 0 "[ . 1 ]" 2
182 1 36 GLU QB 1 40 ARG HE 6.000 . 6.400 4.329 3.613 4.936 . 0 0 "[ . 1 ]" 2
183 1 36 GLU HA 1 40 ARG HE 5.000 . 5.300 4.516 4.299 4.877 . 0 0 "[ . 1 ]" 2
184 1 22 VAL QG 1 40 ARG HE 6.000 . 6.400 4.090 3.504 4.548 . 0 0 "[ . 1 ]" 2
185 1 40 ARG HE 1 45 PHE QE 6.000 . 6.400 12.831 12.564 13.074 6.674 8 13 [*****-*+*****] 2
186 1 40 ARG H 1 40 ARG HE 6.000 . 6.400 4.862 4.387 5.146 . 0 0 "[ . 1 ]" 2
187 1 29 ASN QB 1 31 ARG HE 5.000 . 5.300 3.032 1.943 4.671 . 0 0 "[ . 1 ]" 2
188 1 29 ASN QD 1 31 ARG HE 6.000 . 6.400 4.693 2.413 5.957 . 0 0 "[ . 1 ]" 2
189 1 31 ARG HE 1 39 GLN QE 6.000 . 6.400 5.573 4.110 6.127 . 0 0 "[ . 1 ]" 2
190 1 31 ARG HE 1 36 GLU QG 6.000 . 6.400 5.041 3.331 6.009 . 0 0 "[ . 1 ]" 2
191 1 31 ARG HE 1 36 GLU QB 6.000 . 6.400 4.966 3.229 6.016 . 0 0 "[ . 1 ]" 2
192 1 26 ALA HA 1 31 ARG HE 6.000 . 6.400 5.656 3.695 6.463 0.063 4 0 "[ . 1 ]" 2
193 1 6 LYS H 1 7 MET QG 6.000 . 6.400 5.301 3.357 6.367 . 0 0 "[ . 1 ]" 2
194 1 6 LYS QB 1 7 MET H 4.000 . 4.200 2.837 1.931 3.933 . 0 0 "[ . 1 ]" 2
195 1 6 LYS QG 1 7 MET H 5.000 . 5.300 3.886 2.967 4.501 . 0 0 "[ . 1 ]" 2
196 1 7 MET H 1 7 MET QG 3.000 . 3.100 2.650 2.005 3.181 0.081 10 0 "[ . 1 ]" 2
197 1 7 MET H 1 8 PRO HD3 5.000 . 5.300 4.722 3.315 5.146 . 0 0 "[ . 1 ]" 2
198 1 7 MET H 1 8 PRO HD2 5.000 . 5.300 4.806 3.968 5.000 . 0 0 "[ . 1 ]" 2
199 1 7 MET H 1 19 LEU QD 6.000 . 6.400 5.500 4.681 5.951 . 0 0 "[ . 1 ]" 2
200 1 8 PRO QG 1 9 GLN H 6.000 . 6.400 4.388 4.145 4.554 . 0 0 "[ . 1 ]" 2
201 1 9 GLN H 1 11 LEU QB 6.000 . 6.400 5.678 5.487 5.898 . 0 0 "[ . 1 ]" 2
202 1 8 PRO QD 1 9 GLN H 6.000 . 6.400 4.998 4.950 5.024 . 0 0 "[ . 1 ]" 2
203 1 9 GLN H 1 10 PHE QD 6.000 . 6.400 6.203 6.017 6.360 . 0 0 "[ . 1 ]" 2
204 1 8 PRO QB 1 10 PHE H 5.000 . 5.300 2.302 2.164 2.430 . 0 0 "[ . 1 ]" 2
205 1 8 PRO QB 1 10 PHE H 5.000 . 5.300 2.295 2.161 2.419 . 0 0 "[ . 1 ]" 2
206 1 8 PRO QG 1 10 PHE H 6.000 . 6.400 3.563 3.306 3.863 . 0 0 "[ . 1 ]" 2
207 1 10 PHE H 1 11 LEU QB 5.000 . 5.300 4.523 4.277 4.797 . 0 0 "[ . 1 ]" 2
208 1 10 PHE H 1 11 LEU QD 6.000 . 6.400 4.512 4.285 4.652 . 0 0 "[ . 1 ]" 2
209 1 8 PRO QB 1 11 LEU H 6.000 . 6.400 3.172 2.996 3.390 . 0 0 "[ . 1 ]" 2
210 1 8 PRO QG 1 11 LEU H 6.000 . 6.400 2.656 2.359 3.186 . 0 0 "[ . 1 ]" 2
211 1 8 PRO QD 1 11 LEU H 6.000 . 6.400 3.583 3.441 3.704 . 0 0 "[ . 1 ]" 2
212 1 10 PHE QD 1 11 LEU H 5.000 . 5.300 3.740 3.492 3.962 . 0 0 "[ . 1 ]" 2
213 1 11 LEU H 1 12 ASN HA 6.000 . 6.400 4.794 4.726 4.864 . 0 0 "[ . 1 ]" 2
214 1 11 LEU H 1 12 ASN QB 6.000 . 6.400 4.102 4.003 4.241 . 0 0 "[ . 1 ]" 2
215 1 11 LEU HG 1 12 ASN H 5.000 . 5.300 4.671 4.555 4.792 . 0 0 "[ . 1 ]" 2
216 1 11 LEU QB 1 12 ASN H 4.000 . 4.200 3.664 3.559 3.772 . 0 0 "[ . 1 ]" 2
217 1 12 ASN H 1 12 ASN HB3 3.000 . 3.100 2.957 2.812 3.154 0.054 10 0 "[ . 1 ]" 2
218 1 12 ASN H 1 12 ASN HB2 3.000 . 3.100 2.041 1.945 2.118 . 0 0 "[ . 1 ]" 2
219 1 11 LEU QD 1 12 ASN H 5.000 . 5.300 4.346 4.241 4.407 . 0 0 "[ . 1 ]" 2
220 1 11 LEU QB 1 13 ARG H 5.000 . 5.300 4.714 4.581 4.901 . 0 0 "[ . 1 ]" 2
221 1 11 LEU QD 1 13 ARG H 6.000 . 6.400 4.764 4.626 4.932 . 0 0 "[ . 1 ]" 2
222 1 12 ASN HB3 1 13 ARG H 4.000 . 4.200 3.076 2.861 3.266 . 0 0 "[ . 1 ]" 2
223 1 12 ASN HB2 1 13 ARG H 4.000 . 4.200 3.589 3.374 3.781 . 0 0 "[ . 1 ]" 2
224 1 13 ARG H 1 13 ARG HB3 4.000 . 4.200 3.151 2.600 3.533 . 0 0 "[ . 1 ]" 2
225 1 13 ARG H 1 13 ARG HB2 4.000 . 4.200 2.143 1.989 2.428 . 0 0 "[ . 1 ]" 2
226 1 13 ARG H 1 13 ARG QD 5.000 . 5.300 3.785 2.250 4.491 . 0 0 "[ . 1 ]" 2
227 1 13 ARG H 1 14 TRP HD1 4.000 . 4.200 3.273 3.010 3.444 . 0 0 "[ . 1 ]" 2
228 1 13 ARG H 1 19 LEU QD 5.000 . 5.300 4.721 4.530 5.014 . 0 0 "[ . 1 ]" 2
229 1 11 LEU QB 1 14 TRP H 5.000 . 5.300 3.915 3.768 4.043 . 0 0 "[ . 1 ]" 2
230 1 13 ARG HB3 1 14 TRP H 4.000 . 4.200 3.491 2.950 4.028 . 0 0 "[ . 1 ]" 2
231 1 13 ARG HB2 1 14 TRP H 4.000 . 4.200 3.508 3.018 4.065 . 0 0 "[ . 1 ]" 2
232 1 12 ASN HB3 1 14 TRP H 5.000 . 5.300 5.025 4.833 5.120 . 0 0 "[ . 1 ]" 2
233 1 12 ASN HB2 1 14 TRP H 6.000 . 6.400 5.379 5.245 5.541 . 0 0 "[ . 1 ]" 2
234 1 11 LEU QD 1 14 TRP H 6.000 . 6.400 4.113 3.741 4.561 . 0 0 "[ . 1 ]" 2
235 1 14 TRP H 1 15 PRO QD 5.000 . 5.300 4.402 4.359 4.429 . 0 0 "[ . 1 ]" 2
236 1 14 TRP H 1 14 TRP HE3 5.000 . 5.300 5.329 5.307 5.365 0.065 8 0 "[ . 1 ]" 2
237 1 14 TRP H 1 14 TRP HE1 5.000 . 5.300 4.599 4.451 4.786 . 0 0 "[ . 1 ]" 2
238 1 14 TRP H 1 18 VAL HB 6.000 . 6.400 6.484 6.420 6.572 0.172 1 0 "[ . 1 ]" 2
239 1 15 PRO QG 1 16 ARG H 6.000 . 6.400 4.180 4.017 4.411 . 0 0 "[ . 1 ]" 2
240 1 15 PRO QD 1 16 ARG H 6.000 . 6.400 4.942 4.893 4.979 . 0 0 "[ . 1 ]" 2
241 1 16 ARG H 1 16 ARG QD 5.000 . 5.300 4.372 3.504 4.748 . 0 0 "[ . 1 ]" 2
242 1 16 ARG H 1 18 VAL QG 5.000 . 5.300 5.183 5.001 5.333 0.033 9 0 "[ . 1 ]" 2
243 1 15 PRO HB3 1 17 GLU H 4.000 . 4.200 3.900 3.790 4.071 . 0 0 "[ . 1 ]" 2
244 1 17 GLU H 1 19 LEU QD 6.000 . 6.400 5.166 4.975 5.480 . 0 0 "[ . 1 ]" 2
245 1 14 TRP QB 1 17 GLU H 6.000 . 6.400 4.669 4.162 4.923 . 0 0 "[ . 1 ]" 2
246 1 17 GLU H 1 17 GLU QG 3.000 . 3.100 2.509 1.925 3.105 0.005 13 0 "[ . 1 ]" 2
247 1 17 GLU H 1 41 VAL QG 6.000 . 6.400 12.835 12.537 13.238 6.838 4 13 [***+********-] 2
248 1 18 VAL H 1 19 LEU QD 5.000 . 5.300 4.583 4.296 4.873 . 0 0 "[ . 1 ]" 2
249 1 15 PRO HB2 1 18 VAL H 4.000 . 4.200 3.214 3.006 3.442 . 0 0 "[ . 1 ]" 2
250 1 15 PRO QD 1 18 VAL H 6.000 . 6.400 3.922 3.785 4.166 . 0 0 "[ . 1 ]" 2
251 1 15 PRO HB3 1 18 VAL H 5.000 . 5.300 4.166 4.111 4.293 . 0 0 "[ . 1 ]" 2
252 1 16 ARG QG 1 18 VAL H 5.000 . 5.300 4.142 3.696 4.670 . 0 0 "[ . 1 ]" 2
253 1 18 VAL H 1 18 VAL HB 3.000 . 3.100 2.357 2.307 2.431 . 0 0 "[ . 1 ]" 2
254 1 18 VAL H 1 18 VAL QG 3.000 . 3.100 2.230 1.915 2.532 . 0 0 "[ . 1 ]" 2
255 1 18 VAL H 1 21 LEU QD 6.000 . 6.400 5.819 5.635 5.964 . 0 0 "[ . 1 ]" 2
256 1 18 VAL H 1 41 VAL QG 6.000 . 6.400 10.951 10.741 11.255 4.855 4 13 [***+********-] 2
257 1 14 TRP HE3 1 19 LEU H 6.000 . 6.400 4.333 4.145 4.580 . 0 0 "[ . 1 ]" 2
258 1 14 TRP HB3 1 19 LEU H 6.000 . 6.400 3.836 3.651 4.024 . 0 0 "[ . 1 ]" 2
259 1 14 TRP HB2 1 19 LEU H 6.000 . 6.400 4.983 4.805 5.207 . 0 0 "[ . 1 ]" 2
260 1 19 LEU H 1 20 ASP HA 5.000 . 5.300 5.326 5.298 5.443 0.143 4 0 "[ . 1 ]" 2
261 1 19 LEU H 1 20 ASP QB 6.000 . 6.400 4.323 4.238 4.464 . 0 0 "[ . 1 ]" 2
262 1 19 LEU H 1 21 LEU QB 6.000 . 6.400 5.014 4.926 5.140 . 0 0 "[ . 1 ]" 2
263 1 19 LEU H 1 41 VAL QG 6.000 . 6.400 10.264 10.042 10.458 4.058 1 13 [+**********-*] 2
264 1 16 ARG QD 1 20 ASP H 5.000 . 5.300 5.203 4.136 5.432 0.132 2 0 "[ . 1 ]" 2
265 1 18 VAL HB 1 20 ASP H 5.000 . 5.300 4.830 4.697 4.976 . 0 0 "[ . 1 ]" 2
266 1 19 LEU QD 1 20 ASP H 4.000 . 4.200 4.152 4.084 4.230 0.030 12 0 "[ . 1 ]" 2
267 1 20 ASP H 1 21 LEU QB 5.000 . 5.300 4.208 4.103 4.279 . 0 0 "[ . 1 ]" 2
268 1 20 ASP H 1 21 LEU QD 6.000 . 6.400 5.413 5.258 5.527 . 0 0 "[ . 1 ]" 2
269 1 19 LEU QB 1 21 LEU H 5.000 . 5.300 4.588 4.514 4.728 . 0 0 "[ . 1 ]" 2
270 1 19 LEU QD 1 21 LEU H 5.000 . 5.300 5.158 5.064 5.298 . 0 0 "[ . 1 ]" 2
271 1 20 ASP HB3 1 21 LEU H 4.000 . 4.200 2.872 2.556 3.144 . 0 0 "[ . 1 ]" 2
272 1 20 ASP HB2 1 21 LEU H 4.000 . 4.200 3.814 3.373 4.009 . 0 0 "[ . 1 ]" 2
273 1 21 LEU H 1 21 LEU QD 4.000 . 4.200 3.683 3.608 3.720 . 0 0 "[ . 1 ]" 2
274 1 21 LEU H 1 22 VAL HB 5.000 . 5.300 4.540 4.410 4.738 . 0 0 "[ . 1 ]" 2
275 1 21 LEU H 1 24 LYS QB 5.000 . 5.300 5.087 4.741 5.390 0.090 6 0 "[ . 1 ]" 2
276 1 22 VAL H 1 45 PHE HZ 4.000 . 4.200 18.187 17.869 18.598 14.398 10 13 [*********+*-*] 2
277 1 19 LEU QD 1 22 VAL H 4.000 . 4.200 4.161 4.101 4.244 0.044 1 0 "[ . 1 ]" 2
278 1 22 VAL H 1 41 VAL QG 5.000 . 5.300 9.268 8.958 9.464 4.164 10 13 [*********+*-*] 2
279 1 20 ASP HB3 1 22 VAL H 6.000 . 6.400 5.185 4.993 5.397 . 0 0 "[ . 1 ]" 2
280 1 20 ASP HB2 1 22 VAL H 6.000 . 6.400 5.861 5.559 6.048 . 0 0 "[ . 1 ]" 2
281 1 21 LEU QB 1 22 VAL H 4.000 . 4.200 2.482 2.341 2.640 . 0 0 "[ . 1 ]" 2
282 1 21 LEU QD 1 22 VAL H 5.000 . 5.300 3.710 3.270 3.883 . 0 0 "[ . 1 ]" 2
283 1 22 VAL H 1 22 VAL HB 3.000 . 3.100 2.537 2.473 2.594 . 0 0 "[ . 1 ]" 2
284 1 14 TRP HZ3 1 23 ARG H 6.000 . 6.400 7.138 6.823 7.481 1.081 12 11 "[***-*****1*+ ]" 2
285 1 19 LEU QD 1 23 ARG H 4.000 . 4.200 3.364 3.104 3.524 . 0 0 "[ . 1 ]" 2
286 1 21 LEU QB 1 23 ARG H 5.000 . 5.300 4.304 4.223 4.458 . 0 0 "[ . 1 ]" 2
287 1 21 LEU QD 1 23 ARG H 6.000 . 6.400 5.228 4.890 5.432 . 0 0 "[ . 1 ]" 2
288 1 11 LEU HG 1 23 ARG H 6.000 . 6.400 5.206 4.877 5.402 . 0 0 "[ . 1 ]" 2
289 1 23 ARG H 1 23 ARG QB 3.000 . 3.100 2.329 1.962 2.535 . 0 0 "[ . 1 ]" 2
290 1 23 ARG H 1 23 ARG QG 4.000 . 4.200 2.576 1.906 3.934 . 0 0 "[ . 1 ]" 2
291 1 23 ARG H 1 23 ARG QD 4.000 . 4.200 3.960 3.181 4.277 0.077 5 0 "[ . 1 ]" 2
292 1 19 LEU QD 1 24 LYS H 6.000 . 6.400 4.623 4.381 4.897 . 0 0 "[ . 1 ]" 2
293 1 21 LEU QD 1 24 LYS H 5.000 . 5.300 4.594 4.187 5.065 . 0 0 "[ . 1 ]" 2
294 1 22 VAL HB 1 24 LYS H 6.000 . 6.400 5.005 4.649 5.319 . 0 0 "[ . 1 ]" 2
295 1 23 ARG QG 1 24 LYS H 4.000 . 4.200 2.965 1.899 3.835 . 0 0 "[ . 1 ]" 2
296 1 23 ARG QD 1 24 LYS H 5.000 . 5.300 4.064 2.200 5.159 . 0 0 "[ . 1 ]" 2
297 1 24 LYS H 1 24 LYS HG3 4.000 . 4.200 3.734 3.153 4.237 0.037 13 0 "[ . 1 ]" 2
298 1 24 LYS H 1 24 LYS HG2 4.000 . 4.200 3.672 2.499 4.276 0.076 6 0 "[ . 1 ]" 2
299 1 24 LYS H 1 25 VAL HB 5.000 . 5.300 4.714 4.385 5.051 . 0 0 "[ . 1 ]" 2
300 1 24 LYS QB 1 25 VAL H 3.000 . 3.100 2.949 2.761 3.139 0.039 8 0 "[ . 1 ]" 2
301 1 25 VAL H 1 25 VAL HB 3.000 . 3.100 2.338 2.254 2.442 . 0 0 "[ . 1 ]" 2
302 1 23 ARG QG 1 26 ALA H 5.000 . 5.300 4.948 4.420 5.290 . 0 0 "[ . 1 ]" 2
303 1 25 VAL HB 1 26 ALA H 4.000 . 4.200 2.726 2.545 2.982 . 0 0 "[ . 1 ]" 2
304 1 25 VAL QG 1 26 ALA H 3.000 . 3.100 2.973 2.848 3.070 . 0 0 "[ . 1 ]" 2
305 1 26 ALA H 1 26 ALA MB 3.000 . 3.100 2.047 1.918 2.170 . 0 0 "[ . 1 ]" 2
306 1 26 ALA H 1 29 ASN QB 6.000 . 6.400 5.425 4.960 5.708 . 0 0 "[ . 1 ]" 2
307 1 26 ALA H 1 27 GLU QG 5.000 . 5.300 3.258 2.889 4.109 . 0 0 "[ . 1 ]" 2
308 1 25 VAL QG 1 27 GLU H 5.000 . 5.300 3.906 3.827 4.034 . 0 0 "[ . 1 ]" 2
309 1 26 ALA MB 1 27 GLU H 3.000 . 3.100 2.595 2.439 2.775 . 0 0 "[ . 1 ]" 2
310 1 27 GLU H 1 27 GLU QB 3.000 . 3.100 2.152 1.969 2.514 . 0 0 "[ . 1 ]" 2
311 1 24 LYS QD 1 28 GLU H 6.000 . 6.400 5.825 4.627 6.403 0.003 6 0 "[ . 1 ]" 2
312 1 25 VAL QG 1 28 GLU H 5.000 . 5.300 4.199 4.083 4.322 . 0 0 "[ . 1 ]" 2
313 1 26 ALA MB 1 28 GLU H 4.000 . 4.200 4.267 4.119 4.394 0.194 7 0 "[ . 1 ]" 2
314 1 28 GLU H 1 28 GLU QB 3.000 . 3.100 2.163 1.963 2.564 . 0 0 "[ . 1 ]" 2
315 1 28 GLU H 1 29 ASN HA 5.000 . 5.300 5.226 5.045 5.345 0.045 2 0 "[ . 1 ]" 2
316 1 28 GLU H 1 29 ASN QB 5.000 . 5.300 4.180 3.898 4.434 . 0 0 "[ . 1 ]" 2
317 1 28 GLU H 1 31 ARG QG 6.000 . 6.400 6.150 5.216 6.471 0.071 13 0 "[ . 1 ]" 2
318 1 25 VAL QG 1 29 ASN H 5.000 . 5.300 3.946 3.680 4.256 . 0 0 "[ . 1 ]" 2
319 1 26 ALA MB 1 29 ASN H 5.000 . 5.300 5.022 4.722 5.294 . 0 0 "[ . 1 ]" 2
320 1 28 GLU QB 1 29 ASN H 4.000 . 4.200 2.605 2.228 3.532 . 0 0 "[ . 1 ]" 2
321 1 28 GLU QG 1 29 ASN H 4.000 . 4.200 3.689 2.078 4.287 0.087 1 0 "[ . 1 ]" 2
322 1 29 ASN H 1 29 ASN QB 3.000 . 3.100 2.096 1.954 2.308 . 0 0 "[ . 1 ]" 2
323 1 29 ASN H 1 29 ASN QD 5.000 . 5.300 3.209 2.218 4.008 . 0 0 "[ . 1 ]" 2
324 1 29 ASN H 1 31 ARG QG 5.000 . 5.300 4.719 4.069 4.963 . 0 0 "[ . 1 ]" 2
325 1 25 VAL QG 1 30 GLY H 6.000 . 6.400 5.738 5.507 6.156 . 0 0 "[ . 1 ]" 2
326 1 26 ALA MB 1 30 GLY H 6.000 . 6.400 5.014 4.689 5.628 . 0 0 "[ . 1 ]" 2
327 1 27 GLU QG 1 30 GLY H 6.000 . 6.400 5.342 4.852 5.878 . 0 0 "[ . 1 ]" 2
328 1 28 GLU QB 1 30 GLY H 5.000 . 5.300 4.490 4.161 5.031 . 0 0 "[ . 1 ]" 2
329 1 29 ASN QB 1 30 GLY H 4.000 . 4.200 2.822 2.410 3.474 . 0 0 "[ . 1 ]" 2
330 1 30 GLY H 1 31 ARG QG 5.000 . 5.300 3.565 3.065 4.169 . 0 0 "[ . 1 ]" 2
331 1 29 ASN QB 1 31 ARG H 4.000 . 4.200 3.345 2.943 4.238 0.038 2 0 "[ . 1 ]" 2
332 1 31 ARG H 1 31 ARG QG 4.000 . 4.200 2.573 2.156 2.764 . 0 0 "[ . 1 ]" 2
333 1 31 ARG H 1 31 ARG QD 5.000 . 5.300 4.281 3.492 4.567 . 0 0 "[ . 1 ]" 2
334 1 31 ARG QB 1 32 SER H 4.000 . 4.200 1.957 1.899 2.055 . 0 0 "[ . 1 ]" 2
335 1 31 ARG QG 1 32 SER H 4.000 . 4.200 3.593 2.625 4.024 . 0 0 "[ . 1 ]" 2
336 1 31 ARG HD3 1 32 SER H 6.000 . 6.400 4.460 2.864 5.222 . 0 0 "[ . 1 ]" 2
337 1 31 ARG HD2 1 32 SER H 6.000 . 6.400 4.425 3.752 5.053 . 0 0 "[ . 1 ]" 2
338 1 32 SER H 1 33 VAL HA 6.000 . 6.400 5.309 5.200 5.504 . 0 0 "[ . 1 ]" 2
339 1 32 SER H 1 33 VAL QG 5.000 . 5.300 5.226 5.200 5.253 . 0 0 "[ . 1 ]" 2
340 1 32 SER H 1 34 ASN QB 6.000 . 6.400 5.094 4.745 5.418 . 0 0 "[ . 1 ]" 2
341 1 32 SER H 1 36 GLU QB 6.000 . 6.400 4.898 4.451 5.604 . 0 0 "[ . 1 ]" 2
342 1 32 SER H 1 33 VAL HB 6.000 . 6.400 4.802 4.452 5.373 . 0 0 "[ . 1 ]" 2
343 1 11 LEU QD 1 33 VAL H 6.000 . 6.400 5.985 5.736 6.206 . 0 0 "[ . 1 ]" 2
344 1 10 PHE QE 1 33 VAL H 6.000 . 6.400 10.888 10.553 11.315 4.915 2 13 [*+******-****] 2
345 1 33 VAL H 1 34 ASN QB 5.000 . 5.300 4.140 3.959 4.314 . 0 0 "[ . 1 ]" 2
346 1 26 ALA MB 1 34 ASN H 6.000 . 6.400 4.383 4.157 4.643 . 0 0 "[ . 1 ]" 2
347 1 10 PHE QE 1 34 ASN H 5.000 . 5.300 9.411 9.101 9.829 4.529 12 13 [*****-*****+*] 2
348 1 11 LEU QD 1 34 ASN H 6.000 . 6.400 5.468 5.272 5.731 . 0 0 "[ . 1 ]" 2
349 1 13 ARG QB 1 34 ASN H 6.000 . 6.400 14.209 13.923 14.615 8.215 12 13 [*****-*****+*] 2
350 1 32 SER HB3 1 34 ASN H 5.000 . 5.300 2.949 2.250 4.189 . 0 0 "[ . 1 ]" 2
351 1 32 SER HB2 1 34 ASN H 5.000 . 5.300 3.300 2.456 4.331 . 0 0 "[ . 1 ]" 2
352 1 33 VAL QG 1 34 ASN H 4.000 . 4.200 3.439 3.336 3.531 . 0 0 "[ . 1 ]" 2
353 1 34 ASN H 1 34 ASN QB 3.000 . 3.100 2.119 1.944 2.214 . 0 0 "[ . 1 ]" 2
354 1 8 PRO QD 1 34 ASN H 5.000 . 5.300 4.118 3.923 4.309 . 0 0 "[ . 1 ]" 2
355 1 34 ASN H 1 37 ILE QG 6.000 . 6.400 4.953 4.739 5.275 . 0 0 "[ . 1 ]" 2
356 1 34 ASN H 1 37 ILE HB 6.000 . 6.400 5.082 4.910 5.359 . 0 0 "[ . 1 ]" 2
357 1 10 PHE QE 1 35 SER H 6.000 . 6.400 9.887 9.570 10.216 3.816 12 13 [*****-*****+*] 2
358 1 26 ALA MB 1 35 SER H 6.000 . 6.400 4.626 4.483 4.812 . 0 0 "[ . 1 ]" 2
359 1 31 ARG HD3 1 35 SER H 6.000 . 6.400 5.991 3.931 6.446 0.046 3 0 "[ . 1 ]" 2
360 1 31 ARG HD2 1 35 SER H 6.000 . 6.400 5.627 3.981 6.447 0.047 12 0 "[ . 1 ]" 2
361 1 32 SER QB 1 35 SER H 6.000 . 6.400 2.982 2.543 4.193 . 0 0 "[ . 1 ]" 2
362 1 34 ASN QB 1 35 SER H 4.000 . 4.200 2.710 2.454 2.853 . 0 0 "[ . 1 ]" 2
363 1 34 ASN QD 1 35 SER H 6.000 . 6.400 4.920 4.296 5.384 . 0 0 "[ . 1 ]" 2
364 1 35 SER H 1 35 SER QB 3.000 . 3.100 2.127 1.984 2.331 . 0 0 "[ . 1 ]" 2
365 1 33 VAL QG 1 35 SER H 5.000 . 5.300 4.506 4.308 4.767 . 0 0 "[ . 1 ]" 2
366 1 22 VAL QG 1 35 SER H 5.000 . 5.300 4.373 4.237 4.586 . 0 0 "[ . 1 ]" 2
367 1 35 SER H 1 37 ILE QG 6.000 . 6.400 5.116 4.934 5.351 . 0 0 "[ . 1 ]" 2
368 1 31 ARG QD 1 36 GLU H 5.000 . 5.300 4.505 2.624 5.106 . 0 0 "[ . 1 ]" 2
369 1 10 PHE QE 1 36 GLU H 6.000 . 6.400 9.926 9.646 10.295 3.895 5 13 [****+**-*****] 2
370 1 31 ARG QG 1 36 GLU H 5.000 . 5.300 4.798 3.129 5.426 0.126 9 0 "[ . 1 ]" 2
371 1 36 GLU H 1 37 ILE QG 5.000 . 5.300 4.170 3.991 4.332 . 0 0 "[ . 1 ]" 2
372 1 22 VAL QG 1 36 GLU H 4.000 . 4.200 3.870 3.730 4.031 . 0 0 "[ . 1 ]" 2
373 1 33 VAL QG 1 36 GLU H 5.000 . 5.300 3.986 3.756 4.214 . 0 0 "[ . 1 ]" 2
374 1 34 ASN QB 1 36 GLU H 5.000 . 5.300 4.011 3.862 4.096 . 0 0 "[ . 1 ]" 2
375 1 36 GLU H 1 36 GLU HG3 4.000 . 4.200 4.376 4.287 4.440 0.240 2 0 "[ . 1 ]" 2
376 1 36 GLU H 1 36 GLU HG2 4.000 . 4.200 4.364 4.248 4.488 0.288 3 0 "[ . 1 ]" 2
377 1 31 ARG QD 1 37 ILE H 5.000 . 5.300 5.022 4.448 5.156 . 0 0 "[ . 1 ]" 2
378 1 34 ASN QB 1 37 ILE H 6.000 . 6.400 4.061 3.886 4.198 . 0 0 "[ . 1 ]" 2
379 1 37 ILE H 1 41 VAL QG 6.000 . 6.400 5.310 5.207 5.540 . 0 0 "[ . 1 ]" 2
380 1 36 GLU QB 1 37 ILE H 3.000 . 3.100 1.924 1.785 2.186 0.015 1 0 "[ . 1 ]" 2
381 1 11 LEU QD 1 37 ILE H 6.000 . 6.400 5.255 5.051 5.399 . 0 0 "[ . 1 ]" 2
382 1 10 PHE QE 1 37 ILE H 5.000 . 5.300 7.893 7.531 8.335 3.035 5 13 [****+-*******] 2
383 1 14 TRP HZ2 1 37 ILE H 6.000 . 6.400 8.319 8.049 8.785 2.385 12 13 [*********-*+*] 2
384 1 26 ALA MB 1 37 ILE H 5.000 . 5.300 4.881 4.557 5.103 . 0 0 "[ . 1 ]" 2
385 1 14 TRP HZ2 1 38 TYR H 4.000 . 4.200 8.695 8.410 9.190 4.990 12 13 [*********-*+*] 2
386 1 14 TRP HH2 1 38 TYR H 5.000 . 5.300 7.019 6.799 7.354 2.054 12 13 [*********-*+*] 2
387 1 37 ILE MG 1 38 TYR H 4.000 . 4.200 3.646 3.565 3.783 . 0 0 "[ . 1 ]" 2
388 1 38 TYR H 1 39 GLN HA 6.000 . 6.400 5.257 5.179 5.337 . 0 0 "[ . 1 ]" 2
389 1 37 ILE MD 1 39 GLN H 6.000 . 6.400 5.785 5.415 6.744 0.344 12 0 "[ . 1 ]" 2
390 1 38 TYR QB 1 39 GLN H 4.000 . 4.200 2.638 2.509 2.811 . 0 0 "[ . 1 ]" 2
391 1 38 TYR QD 1 39 GLN H 4.000 . 4.200 3.917 3.777 4.142 . 0 0 "[ . 1 ]" 2
392 1 38 TYR QE 1 39 GLN H 6.000 . 6.400 5.741 5.618 5.956 . 0 0 "[ . 1 ]" 2
393 1 14 TRP HH2 1 39 GLN H 6.000 . 6.400 8.352 7.946 8.784 2.384 12 13 [*****-*****+*] 2
394 1 14 TRP HZ2 1 39 GLN H 6.000 . 6.400 10.197 9.827 10.755 4.355 12 13 [*****-*****+*] 2
395 1 39 GLN H 1 39 GLN QB 3.000 . 3.100 2.090 1.939 2.300 . 0 0 "[ . 1 ]" 2
396 1 39 GLN H 1 41 VAL QG 6.000 . 6.400 4.742 4.574 4.945 . 0 0 "[ . 1 ]" 2
397 1 39 GLN QB 1 40 ARG H 4.000 . 4.200 2.410 2.188 2.630 . 0 0 "[ . 1 ]" 2
398 1 40 ARG H 1 40 ARG QD 5.000 . 5.300 3.478 1.908 4.042 . 0 0 "[ . 1 ]" 2
399 1 40 ARG H 1 41 VAL QG 4.000 . 4.200 4.115 4.005 4.293 0.093 9 0 "[ . 1 ]" 2
400 1 37 ILE MD 1 41 VAL H 5.000 . 5.300 5.461 5.173 6.217 0.917 12 2 "[ - 1 + ]" 2
401 1 40 ARG HD3 1 41 VAL H 6.000 . 6.400 5.649 4.379 6.090 . 0 0 "[ . 1 ]" 2
402 1 40 ARG HD2 1 41 VAL H 6.000 . 6.400 5.358 4.494 5.989 . 0 0 "[ . 1 ]" 2
403 1 14 TRP HH2 1 41 VAL H 5.000 . 5.300 6.788 6.544 7.095 1.795 11 13 [****-*****+**] 2
404 1 41 VAL H 1 41 VAL HB 3.000 . 3.100 2.186 2.113 2.231 . 0 0 "[ . 1 ]" 2
405 1 38 TYR QD 1 42 MET H 6.000 . 6.400 4.951 4.731 5.080 . 0 0 "[ . 1 ]" 2
406 1 42 MET H 1 45 PHE QB 6.000 . 6.400 5.891 5.657 6.126 . 0 0 "[ . 1 ]" 2
407 1 42 MET H 1 45 PHE QD 6.000 . 6.400 5.093 4.831 5.328 . 0 0 "[ . 1 ]" 2
408 1 42 MET H 1 45 PHE QE 6.000 . 6.400 5.831 5.686 6.027 . 0 0 "[ . 1 ]" 2
409 1 41 VAL QG 1 42 MET H 4.000 . 4.200 3.259 3.143 3.359 . 0 0 "[ . 1 ]" 2
410 1 18 VAL QG 1 42 MET H 4.000 . 4.200 3.275 3.160 3.380 . 0 0 "[ . 1 ]" 2
411 1 42 MET HB3 1 43 GLU H 4.000 . 4.200 2.817 2.073 3.329 . 0 0 "[ . 1 ]" 2
412 1 42 MET HB2 1 43 GLU H 4.000 . 4.200 3.104 2.764 3.432 . 0 0 "[ . 1 ]" 2
413 1 43 GLU H 1 43 GLU QB 3.000 . 3.100 2.179 1.985 2.368 . 0 0 "[ . 1 ]" 2
414 1 43 GLU H 1 43 GLU QG 4.000 . 4.200 2.567 1.941 3.315 . 0 0 "[ . 1 ]" 2
415 1 41 VAL QG 1 43 GLU H 5.000 . 5.300 4.460 4.180 4.828 . 0 0 "[ . 1 ]" 2
416 1 18 VAL QG 1 43 GLU H 5.000 . 5.300 4.732 4.338 5.144 . 0 0 "[ . 1 ]" 2
417 1 43 GLU H 1 46 LYS QG 6.000 . 6.400 5.731 4.657 6.407 0.007 8 0 "[ . 1 ]" 2
418 1 41 VAL QG 1 44 SER H 5.000 . 5.300 4.256 4.112 4.492 . 0 0 "[ . 1 ]" 2
419 1 41 VAL QG 1 44 SER H 5.000 . 5.300 4.413 4.242 4.651 . 0 0 "[ . 1 ]" 2
420 1 43 GLU QB 1 44 SER H 4.000 . 4.200 2.997 2.661 3.613 . 0 0 "[ . 1 ]" 2
421 1 43 GLU QG 1 44 SER H 5.000 . 5.300 3.839 2.039 4.615 . 0 0 "[ . 1 ]" 2
422 1 44 SER H 1 45 PHE QB 5.000 . 5.300 4.577 4.355 4.740 . 0 0 "[ . 1 ]" 2
423 1 44 SER H 1 45 PHE QD 5.000 . 5.300 4.860 4.447 5.082 . 0 0 "[ . 1 ]" 2
424 1 45 PHE H 1 45 PHE QB 3.000 . 3.100 2.251 2.198 2.353 . 0 0 "[ . 1 ]" 2
425 1 45 PHE H 1 45 PHE QD 4.000 . 4.200 3.002 2.893 3.150 . 0 0 "[ . 1 ]" 2
426 1 45 PHE H 1 45 PHE QE 5.000 . 5.300 4.492 4.312 4.654 . 0 0 "[ . 1 ]" 2
427 1 21 LEU QD 1 45 PHE H 6.000 . 6.400 13.135 12.549 13.527 7.127 4 13 [**-+*********] 2
428 1 18 VAL QG 1 45 PHE H 5.000 . 5.300 10.739 10.433 11.022 5.722 4 13 [**-+*********] 2
429 1 40 ARG QD 1 45 PHE H 6.000 . 6.400 6.500 5.804 7.618 1.218 7 4 "[ - * +* 1 ]" 2
430 1 45 PHE H 1 48 GLU QB 6.000 . 6.400 5.857 4.942 6.411 0.011 3 0 "[ . 1 ]" 2
431 1 45 PHE H 1 51 ILE QG 6.000 . 6.400 4.880 4.391 5.449 . 0 0 "[ . 1 ]" 2
432 1 45 PHE H 1 46 LYS QG 5.000 . 5.300 4.506 4.055 5.127 . 0 0 "[ . 1 ]" 2
433 1 46 LYS H 1 46 LYS QB 3.000 . 3.100 2.117 1.960 2.249 . 0 0 "[ . 1 ]" 2
434 1 46 LYS H 1 46 LYS QE 6.000 . 6.400 4.708 3.990 5.740 . 0 0 "[ . 1 ]" 2
435 1 46 LYS H 1 51 ILE QG 5.000 . 5.300 3.979 3.063 5.012 . 0 0 "[ . 1 ]" 2
436 1 45 PHE QB 1 47 LYS H 6.000 . 6.400 4.674 4.391 5.016 . 0 0 "[ . 1 ]" 2
437 1 47 LYS H 1 47 LYS QG 4.000 . 4.200 3.284 2.523 3.919 . 0 0 "[ . 1 ]" 2
438 1 47 LYS H 1 47 LYS QE 6.000 . 6.400 5.239 3.546 5.916 . 0 0 "[ . 1 ]" 2
439 1 46 LYS QG 1 47 LYS H 4.000 . 4.200 3.977 3.637 4.223 0.023 9 0 "[ . 1 ]" 2
440 1 47 LYS H 1 48 GLU QB 5.000 . 5.300 4.534 4.155 4.880 . 0 0 "[ . 1 ]" 2
441 1 45 PHE QB 1 48 GLU H 6.000 . 6.400 4.640 4.134 5.229 . 0 0 "[ . 1 ]" 2
442 1 48 GLU H 1 51 ILE MD 6.000 . 6.400 5.943 5.528 6.446 0.046 9 0 "[ . 1 ]" 2
443 1 45 PHE QD 1 48 GLU H 6.000 . 6.400 5.342 5.041 5.519 . 0 0 "[ . 1 ]" 2
444 1 47 LYS QB 1 48 GLU H 3.000 . 3.100 2.496 1.997 2.887 . 0 0 "[ . 1 ]" 2
445 1 48 GLU H 1 48 GLU QB 3.000 . 3.100 2.188 1.950 2.412 . 0 0 "[ . 1 ]" 2
446 1 48 GLU H 1 48 GLU QG 4.000 . 4.200 3.101 2.098 3.965 . 0 0 "[ . 1 ]" 2
447 1 46 LYS QG 1 49 GLY H 6.000 . 6.400 4.295 3.905 4.802 . 0 0 "[ . 1 ]" 2
448 1 45 PHE QB 1 49 GLY H 6.000 . 6.400 4.349 3.256 5.275 . 0 0 "[ . 1 ]" 2
449 1 47 LYS QG 1 49 GLY H 6.000 . 6.400 5.655 5.009 6.317 . 0 0 "[ . 1 ]" 2
450 1 48 GLU QB 1 49 GLY H 4.000 . 4.200 2.713 2.230 3.591 . 0 0 "[ . 1 ]" 2
451 1 48 GLU HG3 1 49 GLY H 5.000 . 5.300 4.758 4.324 5.321 0.021 1 0 "[ . 1 ]" 2
452 1 48 GLU HG2 1 49 GLY H 5.000 . 5.300 4.748 4.219 5.134 . 0 0 "[ . 1 ]" 2
453 1 45 PHE QB 1 50 ARG H 5.000 . 5.300 3.364 2.581 3.795 . 0 0 "[ . 1 ]" 2
454 1 48 GLU QB 1 50 ARG H 4.000 . 4.200 3.016 2.580 3.430 . 0 0 "[ . 1 ]" 2
455 1 48 GLU HG3 1 50 ARG H 6.000 . 6.400 5.513 4.883 6.409 0.009 1 0 "[ . 1 ]" 2
456 1 48 GLU HG2 1 50 ARG H 6.000 . 6.400 5.523 3.634 6.259 . 0 0 "[ . 1 ]" 2
457 1 50 ARG H 1 51 ILE QG 6.000 . 6.400 3.801 3.439 4.213 . 0 0 "[ . 1 ]" 2
458 1 21 LEU HG 1 50 ARG H 6.000 . 6.400 16.206 15.805 16.741 10.341 5 13 [*-**+********] 2
459 1 21 LEU QD 1 50 ARG H 6.000 . 6.400 17.625 17.139 18.230 11.830 4 13 [**-+*********] 2
460 1 45 PHE QD 1 50 ARG H 5.000 . 5.300 4.814 4.487 5.053 . 0 0 "[ . 1 ]" 2
461 1 51 ILE H 1 51 ILE QG 4.000 . 4.200 2.004 1.878 2.271 . 0 0 "[ . 1 ]" 2
462 1 45 PHE QD 1 51 ILE H 5.000 . 5.300 5.186 4.983 5.319 0.019 9 0 "[ . 1 ]" 2
463 1 21 LEU QD 1 51 ILE H 6.000 . 6.400 17.804 17.018 18.385 11.985 10 13 [**-******+***] 2
464 1 46 LYS QG 1 52 GLY H 4.000 . 4.200 3.543 3.071 4.065 . 0 0 "[ . 1 ]" 2
465 1 51 ILE HB 1 53 ALA H 4.000 . 4.200 3.734 2.952 4.215 0.015 2 0 "[ . 1 ]" 2
466 1 51 ILE QG 1 53 ALA H 6.000 . 6.400 4.787 2.909 5.478 . 0 0 "[ . 1 ]" 2
467 1 51 ILE MD 1 53 ALA H 6.000 . 6.400 3.720 2.195 4.535 . 0 0 "[ . 1 ]" 2
468 1 53 ALA H 1 53 ALA MB 3.000 . 3.100 2.345 1.981 2.661 . 0 0 "[ . 1 ]" 2
469 2 12 ASN HA 2 13 ARG H 4.000 . 4.200 3.499 3.472 3.535 . 0 0 "[ . 1 ]" 2
470 2 16 ARG HA 2 17 GLU H 4.000 . 4.200 3.507 3.484 3.532 . 0 0 "[ . 1 ]" 2
471 2 18 VAL HA 2 19 LEU H 4.000 . 4.200 3.573 3.543 3.594 . 0 0 "[ . 1 ]" 2
472 2 20 ASP HA 2 21 LEU H 4.000 . 4.200 3.499 3.479 3.538 . 0 0 "[ . 1 ]" 2
473 2 22 VAL HA 2 23 ARG H 4.000 . 4.200 3.573 3.544 3.590 . 0 0 "[ . 1 ]" 2
474 2 23 ARG HA 2 24 LYS H 4.000 . 4.200 3.567 3.522 3.595 . 0 0 "[ . 1 ]" 2
475 2 23 ARG HA 2 26 ALA H 4.000 . 4.200 3.154 3.067 3.226 . 0 0 "[ . 1 ]" 2
476 2 26 ALA HA 2 27 GLU H 5.000 . 5.300 3.544 3.505 3.575 . 0 0 "[ . 1 ]" 2
477 2 28 GLU HA 2 29 ASN H 4.000 . 4.200 3.574 3.512 3.595 . 0 0 "[ . 1 ]" 2
478 2 29 ASN HA 2 30 GLY H 4.000 . 4.200 3.505 3.272 3.594 . 0 0 "[ . 1 ]" 2
479 2 30 GLY QA 2 31 ARG H 3.000 . 3.100 2.775 2.456 2.914 . 0 0 "[ . 1 ]" 2
480 2 33 VAL HA 2 34 ASN H 4.000 . 4.200 3.475 3.417 3.517 . 0 0 "[ . 1 ]" 2
481 2 34 ASN HA 2 36 GLU H 4.000 . 4.200 3.415 3.372 3.452 . 0 0 "[ . 1 ]" 2
482 2 37 ILE HA 2 38 TYR H 5.000 . 5.300 3.508 3.487 3.539 . 0 0 "[ . 1 ]" 2
483 2 38 TYR HA 2 39 GLN H 4.000 . 4.200 3.546 3.500 3.569 . 0 0 "[ . 1 ]" 2
484 2 39 GLN HA 2 40 ARG H 5.000 . 5.300 3.577 3.557 3.592 . 0 0 "[ . 1 ]" 2
485 2 40 ARG HA 2 41 VAL H 4.000 . 4.200 3.499 3.483 3.557 . 0 0 "[ . 1 ]" 2
486 2 42 MET HA 2 43 GLU H 4.000 . 4.200 3.548 3.479 3.593 . 0 0 "[ . 1 ]" 2
487 2 48 GLU HA 2 49 GLY H 4.000 . 4.200 3.416 3.132 3.476 . 0 0 "[ . 1 ]" 2
488 2 49 GLY HA3 2 50 ARG H 4.000 . 4.200 3.504 3.409 3.565 . 0 0 "[ . 1 ]" 2
489 2 49 GLY HA2 2 50 ARG H 4.000 . 4.200 2.992 2.784 3.214 . 0 0 "[ . 1 ]" 2
490 2 49 GLY QA 2 51 ILE H 5.000 . 5.300 3.723 3.417 4.202 . 0 0 "[ . 1 ]" 2
491 2 11 LEU HA 2 13 ARG H 5.000 . 5.300 3.453 3.309 3.686 . 0 0 "[ . 1 ]" 2
492 2 12 ASN HA 2 14 TRP H 4.000 . 4.200 4.051 3.837 4.202 0.002 1 0 "[ . 1 ]" 2
493 2 16 ARG HA 2 18 VAL H 5.000 . 5.300 4.248 3.749 4.876 . 0 0 "[ . 1 ]" 2
494 2 18 VAL HA 2 20 ASP H 4.000 . 4.200 4.186 4.069 4.262 0.062 2 0 "[ . 1 ]" 2
495 2 20 ASP HA 2 22 VAL H 5.000 . 5.300 4.678 4.518 4.876 . 0 0 "[ . 1 ]" 2
496 2 22 VAL HA 2 24 LYS H 5.000 . 5.300 4.613 4.124 5.022 . 0 0 "[ . 1 ]" 2
497 2 26 ALA HA 2 28 GLU H 6.000 . 6.400 3.979 3.861 4.131 . 0 0 "[ . 1 ]" 2
498 2 32 SER HA 2 34 ASN H 4.000 . 4.200 4.237 4.155 4.306 0.106 1 0 "[ . 1 ]" 2
499 2 33 VAL HA 2 35 SER H 5.000 . 5.300 4.051 3.761 4.409 . 0 0 "[ . 1 ]" 2
500 2 37 ILE HA 2 39 GLN H 6.000 . 6.400 4.247 4.051 4.411 . 0 0 "[ . 1 ]" 2
501 2 39 GLN HA 2 41 VAL H 6.000 . 6.400 4.056 3.906 4.546 . 0 0 "[ . 1 ]" 2
502 2 41 VAL HA 2 43 GLU H 6.000 . 6.400 4.559 3.912 5.230 . 0 0 "[ . 1 ]" 2
503 2 51 ILE HA 2 52 GLY H 4.000 . 4.200 2.802 2.277 3.590 . 0 0 "[ . 1 ]" 2
504 2 9 GLN HA 2 12 ASN H 4.000 . 4.200 3.923 3.715 4.122 . 0 0 "[ . 1 ]" 2
505 2 15 PRO HA 2 18 VAL H 6.000 . 6.400 4.904 4.793 5.118 . 0 0 "[ . 1 ]" 2
506 2 16 ARG HA 2 19 LEU H 4.000 . 4.200 3.533 3.181 3.868 . 0 0 "[ . 1 ]" 2
507 2 18 VAL HA 2 21 LEU H 4.000 . 4.200 3.538 3.453 3.602 . 0 0 "[ . 1 ]" 2
508 2 20 ASP HA 2 23 ARG H 4.000 . 4.200 4.012 3.772 4.166 . 0 0 "[ . 1 ]" 2
509 2 26 ALA HA 2 29 ASN H 4.000 . 4.200 3.865 3.538 4.162 . 0 0 "[ . 1 ]" 2
510 2 27 GLU HA 2 30 GLY H 4.000 . 4.200 3.777 3.479 4.079 . 0 0 "[ . 1 ]" 2
511 2 32 SER HA 2 35 SER H 6.000 . 6.400 4.825 4.621 5.051 . 0 0 "[ . 1 ]" 2
512 2 34 ASN HA 2 37 ILE H 4.000 . 4.200 3.723 3.534 3.959 . 0 0 "[ . 1 ]" 2
513 2 37 ILE HA 2 40 ARG H 5.000 . 5.300 3.575 3.376 3.796 . 0 0 "[ . 1 ]" 2
514 2 41 VAL HA 2 44 SER H 4.000 . 4.200 3.644 3.429 3.955 . 0 0 "[ . 1 ]" 2
515 2 42 MET HA 2 45 PHE H 4.000 . 4.200 3.926 3.619 4.235 0.035 6 0 "[ . 1 ]" 2
516 2 43 GLU HA 2 46 LYS H 4.000 . 4.200 3.396 3.187 3.655 . 0 0 "[ . 1 ]" 2
517 2 45 PHE HA 2 48 GLU H 4.000 . 4.200 3.754 3.396 4.025 . 0 0 "[ . 1 ]" 2
518 2 10 PHE HA 2 14 TRP H 6.000 . 6.400 6.302 6.189 6.429 0.029 9 0 "[ . 1 ]" 2
519 2 20 ASP HA 2 24 LYS H 5.000 . 5.300 4.721 4.364 5.056 . 0 0 "[ . 1 ]" 2
520 2 23 ARG HA 2 27 GLU H 4.000 . 4.200 3.916 3.805 4.077 . 0 0 "[ . 1 ]" 2
521 2 25 VAL HA 2 29 ASN H 4.000 . 4.200 4.173 4.050 4.301 0.101 10 0 "[ . 1 ]" 2
522 2 26 ALA HA 2 30 GLY H 6.000 . 6.400 4.358 4.066 5.107 . 0 0 "[ . 1 ]" 2
523 2 27 GLU HA 2 31 ARG H 4.000 . 4.200 3.891 3.235 4.182 . 0 0 "[ . 1 ]" 2
524 2 37 ILE HA 2 41 VAL H 5.000 . 5.300 4.163 3.780 4.330 . 0 0 "[ . 1 ]" 2
525 2 39 GLN HA 2 43 GLU H 5.000 . 5.300 4.118 3.670 4.441 . 0 0 "[ . 1 ]" 2
526 2 42 MET HA 2 46 LYS H 5.000 . 5.300 4.867 4.579 5.050 . 0 0 "[ . 1 ]" 2
527 2 26 ALA HA 2 31 ARG H 4.000 . 4.200 3.554 3.224 3.828 . 0 0 "[ . 1 ]" 2
528 2 26 ALA H 2 33 VAL HA 6.000 . 6.400 4.365 4.015 4.522 . 0 0 "[ . 1 ]" 2
529 2 9 GLN H 2 10 PHE H 6.000 . 6.400 2.578 2.352 2.711 . 0 0 "[ . 1 ]" 2
530 2 11 LEU H 2 12 ASN H 3.000 . 3.100 2.770 2.661 2.902 . 0 0 "[ . 1 ]" 2
531 2 12 ASN H 2 13 ARG H 4.000 . 4.200 2.537 2.425 2.636 . 0 0 "[ . 1 ]" 2
532 2 16 ARG H 2 17 GLU H 4.000 . 4.200 2.534 2.371 2.805 . 0 0 "[ . 1 ]" 2
533 2 17 GLU H 2 18 VAL H 4.000 . 4.200 2.701 2.504 2.909 . 0 0 "[ . 1 ]" 2
534 2 19 LEU H 2 20 ASP H 3.000 . 3.100 2.674 2.632 2.813 . 0 0 "[ . 1 ]" 2
535 2 20 ASP H 2 21 LEU H 3.000 . 3.100 2.549 2.458 2.665 . 0 0 "[ . 1 ]" 2
536 2 21 LEU H 2 22 VAL H 4.000 . 4.200 2.418 2.302 2.601 . 0 0 "[ . 1 ]" 2
537 2 22 VAL H 2 23 ARG H 4.000 . 4.200 2.823 2.741 2.911 . 0 0 "[ . 1 ]" 2
538 2 23 ARG H 2 24 LYS H 3.000 . 3.100 2.851 2.667 3.094 . 0 0 "[ . 1 ]" 2
539 2 24 LYS H 2 25 VAL H 3.000 . 3.100 2.616 2.345 2.839 . 0 0 "[ . 1 ]" 2
540 2 26 ALA H 2 27 GLU H 4.000 . 4.200 2.545 2.355 2.689 . 0 0 "[ . 1 ]" 2
541 2 28 GLU H 2 29 ASN H 4.000 . 4.200 2.515 2.275 2.659 . 0 0 "[ . 1 ]" 2
542 2 30 GLY H 2 31 ARG H 3.000 . 3.100 2.209 2.037 2.704 . 0 0 "[ . 1 ]" 2
543 2 32 SER H 2 33 VAL H 5.000 . 5.300 4.517 4.466 4.593 . 0 0 "[ . 1 ]" 2
544 2 33 VAL H 2 34 ASN H 4.000 . 4.200 2.475 2.357 2.578 . 0 0 "[ . 1 ]" 2
545 2 34 ASN H 2 35 SER H 4.000 . 4.200 2.458 2.328 2.636 . 0 0 "[ . 1 ]" 2
546 2 35 SER H 2 36 GLU H 4.000 . 4.200 2.368 2.279 2.550 . 0 0 "[ . 1 ]" 2
547 2 36 GLU H 2 37 ILE H 4.000 . 4.200 2.733 2.539 2.864 . 0 0 "[ . 1 ]" 2
548 2 37 ILE H 2 38 TYR H 4.000 . 4.200 2.579 2.387 2.703 . 0 0 "[ . 1 ]" 2
549 2 38 TYR H 2 39 GLN H 4.000 . 4.200 2.566 2.472 2.654 . 0 0 "[ . 1 ]" 2
550 2 39 GLN H 2 40 ARG H 4.000 . 4.200 2.579 2.499 2.688 . 0 0 "[ . 1 ]" 2
551 2 40 ARG H 2 41 VAL H 4.000 . 4.200 2.630 2.503 2.711 . 0 0 "[ . 1 ]" 2
552 2 41 VAL H 2 42 MET H 4.000 . 4.200 2.320 2.255 2.555 . 0 0 "[ . 1 ]" 2
553 2 42 MET H 2 43 GLU H 4.000 . 4.200 2.652 2.465 3.001 . 0 0 "[ . 1 ]" 2
554 2 43 GLU H 2 44 SER H 4.000 . 4.200 2.604 2.365 2.892 . 0 0 "[ . 1 ]" 2
555 2 44 SER H 2 45 PHE H 4.000 . 4.200 2.832 2.549 3.058 . 0 0 "[ . 1 ]" 2
556 2 46 LYS H 2 47 LYS H 4.000 . 4.200 2.635 2.402 2.839 . 0 0 "[ . 1 ]" 2
557 2 47 LYS H 2 48 GLU H 3.000 . 3.100 2.788 2.547 3.080 . 0 0 "[ . 1 ]" 2
558 2 48 GLU H 2 49 GLY H 3.000 . 3.100 2.525 2.119 2.943 . 0 0 "[ . 1 ]" 2
559 2 50 ARG H 2 51 ILE H 3.000 . 3.100 2.559 2.345 2.922 . 0 0 "[ . 1 ]" 2
560 2 51 ILE H 2 52 GLY H 5.000 . 5.300 4.054 2.434 4.605 . 0 0 "[ . 1 ]" 2
561 2 52 GLY H 2 53 ALA H 5.000 . 5.300 2.320 1.952 3.333 . 0 0 "[ . 1 ]" 2
562 2 16 ARG H 2 18 VAL H 5.000 . 5.300 4.292 4.048 4.669 . 0 0 "[ . 1 ]" 2
563 2 17 GLU H 2 19 LEU H 5.000 . 5.300 4.272 3.999 4.582 . 0 0 "[ . 1 ]" 2
564 2 18 VAL H 2 20 ASP H 5.000 . 5.300 3.852 3.575 4.131 . 0 0 "[ . 1 ]" 2
565 2 19 LEU H 2 21 LEU H 5.000 . 5.300 4.165 4.079 4.321 . 0 0 "[ . 1 ]" 2
566 2 20 ASP H 2 22 VAL H 4.000 . 4.200 4.183 4.077 4.254 0.054 6 0 "[ . 1 ]" 2
567 2 21 LEU H 2 23 ARG H 5.000 . 5.300 4.128 3.969 4.341 . 0 0 "[ . 1 ]" 2
568 2 26 ALA H 2 28 GLU H 5.000 . 5.300 3.841 3.650 3.934 . 0 0 "[ . 1 ]" 2
569 2 27 GLU H 2 29 ASN H 5.000 . 5.300 4.558 4.044 4.878 . 0 0 "[ . 1 ]" 2
570 2 28 GLU H 2 30 GLY H 4.000 . 4.200 3.749 3.541 4.177 . 0 0 "[ . 1 ]" 2
571 2 29 ASN H 2 31 ARG H 5.000 . 5.300 4.161 3.540 4.818 . 0 0 "[ . 1 ]" 2
572 2 33 VAL H 2 35 SER H 6.000 . 6.400 4.149 4.009 4.382 . 0 0 "[ . 1 ]" 2
573 2 35 SER H 2 37 ILE H 6.000 . 6.400 4.208 3.959 4.404 . 0 0 "[ . 1 ]" 2
574 2 40 ARG H 2 42 MET H 6.000 . 6.400 4.007 3.856 4.143 . 0 0 "[ . 1 ]" 2
575 2 41 VAL H 2 43 GLU H 6.000 . 6.400 4.209 3.792 4.905 . 0 0 "[ . 1 ]" 2
576 2 42 MET H 2 44 SER H 6.000 . 6.400 3.971 3.721 4.197 . 0 0 "[ . 1 ]" 2
577 2 43 GLU H 2 45 PHE H 6.000 . 6.400 4.628 4.247 4.938 . 0 0 "[ . 1 ]" 2
578 2 46 LYS H 2 48 GLU H 6.000 . 6.400 4.476 4.131 4.987 . 0 0 "[ . 1 ]" 2
579 2 47 LYS H 2 49 GLY H 6.000 . 6.400 4.139 3.744 4.667 . 0 0 "[ . 1 ]" 2
580 2 16 ARG H 2 20 ASP H 6.000 . 6.400 5.998 5.774 6.158 . 0 0 "[ . 1 ]" 2
581 2 16 ARG H 2 19 LEU H 6.000 . 6.400 4.944 4.751 5.103 . 0 0 "[ . 1 ]" 2
582 2 17 GLU H 2 20 ASP H 6.000 . 6.400 4.818 4.682 5.090 . 0 0 "[ . 1 ]" 2
583 2 19 LEU H 2 22 VAL H 6.000 . 6.400 4.881 4.809 5.007 . 0 0 "[ . 1 ]" 2
584 2 20 ASP H 2 23 ARG H 5.000 . 5.300 5.095 4.967 5.246 . 0 0 "[ . 1 ]" 2
585 2 27 GLU H 2 30 GLY H 6.000 . 6.400 4.997 4.749 5.345 . 0 0 "[ . 1 ]" 2
586 2 27 GLU H 2 31 ARG H 6.000 . 6.400 5.173 4.880 5.265 . 0 0 "[ . 1 ]" 2
587 2 28 GLU H 2 31 ARG H 5.000 . 5.300 3.993 3.897 4.166 . 0 0 "[ . 1 ]" 2
588 2 32 SER H 2 35 SER H 5.000 . 5.300 3.683 3.424 4.368 . 0 0 "[ . 1 ]" 2
589 2 32 SER H 2 36 GLU H 6.000 . 6.400 4.432 4.094 5.255 . 0 0 "[ . 1 ]" 2
590 2 34 ASN H 2 37 ILE H 5.000 . 5.300 4.922 4.727 5.211 . 0 0 "[ . 1 ]" 2
591 2 35 SER H 2 38 TYR H 6.000 . 6.400 4.583 4.521 4.675 . 0 0 "[ . 1 ]" 2
592 2 37 ILE H 2 41 VAL H 6.000 . 6.400 6.150 5.991 6.278 . 0 0 "[ . 1 ]" 2
593 2 38 TYR H 2 41 VAL H 6.000 . 6.400 4.750 4.691 4.824 . 0 0 "[ . 1 ]" 2
594 2 37 ILE H 2 42 MET H 6.000 . 6.400 6.284 6.123 6.390 . 0 0 "[ . 1 ]" 2
595 2 43 GLU H 2 46 LYS H 5.000 . 5.300 5.016 4.815 5.103 . 0 0 "[ . 1 ]" 2
596 2 45 PHE H 2 49 GLY H 6.000 . 6.400 5.723 5.507 5.955 . 0 0 "[ . 1 ]" 2
597 2 46 LYS H 2 49 GLY H 6.000 . 6.400 4.535 4.273 4.877 . 0 0 "[ . 1 ]" 2
598 2 14 TRP HA 2 14 TRP HE1 5.000 . 5.300 4.713 4.682 4.757 . 0 0 "[ . 1 ]" 2
599 2 11 LEU QB 2 14 TRP HE1 6.000 . 6.400 4.978 4.709 5.114 . 0 0 "[ . 1 ]" 2
600 2 13 ARG HB3 2 14 TRP HE1 6.000 . 6.400 4.512 4.038 5.119 . 0 0 "[ . 1 ]" 2
601 2 13 ARG HB2 2 14 TRP HE1 6.000 . 6.400 4.758 3.979 5.522 . 0 0 "[ . 1 ]" 2
602 2 10 PHE QD 2 14 TRP HE1 6.000 . 6.400 4.980 4.619 5.223 . 0 0 "[ . 1 ]" 2
603 2 14 TRP HE1 2 38 TYR QD 5.000 . 5.300 11.737 11.522 11.953 6.653 12 13 [***********+-] 2
604 2 14 TRP HE1 2 38 TYR H 6.000 . 6.400 11.308 11.043 11.763 5.363 12 13 [*********-*+*] 2
605 2 14 TRP H 2 14 TRP HE1 5.000 . 5.300 4.598 4.463 4.787 . 0 0 "[ . 1 ]" 2
606 2 34 ASN H 2 34 ASN QD . . 5.300 4.520 4.359 4.659 . 0 0 "[ . 1 ]" 2
607 2 10 PHE QB 2 34 ASN QD 6.000 . 6.400 5.825 4.963 6.702 0.302 4 0 "[ . 1 ]" 2
608 2 33 VAL QG 2 34 ASN QD 6.000 . 6.400 5.383 4.406 5.901 . 0 0 "[ . 1 ]" 2
609 2 14 TRP HD1 2 34 ASN QD 5.000 . 5.300 12.076 10.567 13.248 7.948 4 13 [***+-********] 2
610 2 10 PHE QE 2 34 ASN QD 5.000 . 5.300 6.912 5.633 7.546 2.246 8 12 [****.**+****-] 2
611 2 13 ARG QB 2 34 ASN QD 6.000 . 6.400 11.943 10.540 13.126 6.726 4 13 [***+-********] 2
612 2 7 MET QB 2 12 ASN HD22 6.000 . 6.400 4.723 2.909 6.218 . 0 0 "[ . 1 ]" 2
613 2 7 MET QB 2 12 ASN HD21 6.000 . 6.400 4.442 2.364 6.139 . 0 0 "[ . 1 ]" 2
614 2 9 GLN HA 2 12 ASN HD22 4.000 . 4.200 3.929 3.311 4.196 . 0 0 "[ . 1 ]" 2
615 2 9 GLN HA 2 12 ASN HD21 4.000 . 4.200 2.600 2.231 3.169 . 0 0 "[ . 1 ]" 2
616 2 12 ASN HA 2 12 ASN HD22 5.000 . 5.300 3.755 3.335 4.303 . 0 0 "[ . 1 ]" 2
617 2 12 ASN HB3 2 12 ASN HD22 4.000 . 4.200 4.034 3.799 4.123 . 0 0 "[ . 1 ]" 2
618 2 12 ASN HB2 2 12 ASN HD22 4.000 . 4.200 3.571 3.513 3.674 . 0 0 "[ . 1 ]" 2
619 2 9 GLN QG 2 12 ASN HD22 5.000 . 5.300 4.442 3.273 5.333 0.033 1 0 "[ . 1 ]" 2
620 2 9 GLN QG 2 12 ASN HD21 5.000 . 5.300 3.749 2.835 4.696 . 0 0 "[ . 1 ]" 2
621 2 11 LEU QB 2 12 ASN QD 6.000 . 6.400 5.267 4.574 6.264 . 0 0 "[ . 1 ]" 2
622 2 7 MET QG 2 9 GLN QE 6.000 . 6.400 5.809 3.210 6.400 . 0 0 "[ . 1 ]" 2
623 2 9 GLN HA 2 9 GLN HE22 6.000 . 6.400 4.028 3.169 5.150 . 0 0 "[ . 1 ]" 2
624 2 9 GLN HA 2 9 GLN HE21 6.000 . 6.400 2.981 2.286 3.873 . 0 0 "[ . 1 ]" 2
625 2 25 VAL QG 2 29 ASN HD22 4.000 . 4.200 3.500 2.937 4.156 . 0 0 "[ . 1 ]" 2
626 2 25 VAL QG 2 29 ASN HD21 4.000 . 4.200 3.176 2.296 4.141 . 0 0 "[ . 1 ]" 2
627 2 26 ALA HA 2 29 ASN HD21 6.000 . 6.400 4.671 4.118 5.506 . 0 0 "[ . 1 ]" 2
628 2 26 ALA HA 2 29 ASN HD22 6.000 . 6.400 5.964 4.911 6.426 0.026 13 0 "[ . 1 ]" 2
629 2 25 VAL HA 2 29 ASN QD 6.000 . 6.400 4.544 3.342 5.690 . 0 0 "[ . 1 ]" 2
630 2 29 ASN QD 2 31 ARG QG 6.000 . 6.400 4.453 3.739 5.102 . 0 0 "[ . 1 ]" 2
631 2 38 TYR QD 2 39 GLN HE22 5.000 . 5.300 3.732 2.370 4.659 . 0 0 "[ . 1 ]" 2
632 2 38 TYR QD 2 39 GLN HE21 5.000 . 5.300 3.362 2.272 4.892 . 0 0 "[ . 1 ]" 2
633 2 38 TYR QE 2 39 GLN HE22 5.000 . 5.300 4.200 2.996 4.859 . 0 0 "[ . 1 ]" 2
634 2 38 TYR QE 2 39 GLN HE21 5.000 . 5.300 4.118 3.156 4.805 . 0 0 "[ . 1 ]" 2
635 2 39 GLN HA 2 39 GLN HE22 5.000 . 5.300 4.027 3.302 4.674 . 0 0 "[ . 1 ]" 2
636 2 39 GLN HA 2 39 GLN HE21 5.000 . 5.300 3.162 2.591 4.138 . 0 0 "[ . 1 ]" 2
637 2 39 GLN QB 2 39 GLN HE22 4.000 . 4.200 3.876 3.235 4.273 0.073 3 0 "[ . 1 ]" 2
638 2 39 GLN QB 2 39 GLN HE21 4.000 . 4.200 3.346 1.935 4.056 . 0 0 "[ . 1 ]" 2
639 2 39 GLN HE22 2 39 GLN HG3 4.000 . 4.200 3.746 3.509 4.112 . 0 0 "[ . 1 ]" 2
640 2 39 GLN HE22 2 39 GLN HG2 4.000 . 4.200 3.834 3.518 4.119 . 0 0 "[ . 1 ]" 2
641 2 39 GLN HE22 2 40 ARG QG 6.000 . 6.400 4.933 3.816 5.739 . 0 0 "[ . 1 ]" 2
642 2 39 GLN HE21 2 40 ARG QG 6.000 . 6.400 4.302 3.746 5.160 . 0 0 "[ . 1 ]" 2
643 2 18 VAL QG 2 39 GLN QE 6.000 . 6.400 11.745 10.873 12.260 5.860 12 13 [*****-*****+*] 2
644 2 48 GLU QB 2 50 ARG HE 6.000 . 6.400 4.108 2.541 5.588 . 0 0 "[ . 1 ]" 2
645 2 48 GLU HA 2 50 ARG HE 6.000 . 6.400 4.159 2.390 5.046 . 0 0 "[ . 1 ]" 2
646 2 23 ARG HA 2 23 ARG HE 6.000 . 6.400 4.803 3.059 5.863 . 0 0 "[ . 1 ]" 2
647 2 23 ARG QB 2 23 ARG HE 4.000 . 4.200 2.592 1.977 3.576 . 0 0 "[ . 1 ]" 2
648 2 19 LEU QD 2 23 ARG HE 6.000 . 6.400 5.490 4.066 6.400 . 0 0 "[ . 1 ]" 2
649 2 25 VAL HB 2 40 ARG HE 5.000 . 5.300 3.707 3.320 3.998 . 0 0 "[ . 1 ]" 2
650 2 36 GLU QB 2 40 ARG HE 6.000 . 6.400 4.328 3.618 4.934 . 0 0 "[ . 1 ]" 2
651 2 36 GLU HA 2 40 ARG HE 5.000 . 5.300 4.515 4.294 4.878 . 0 0 "[ . 1 ]" 2
652 2 22 VAL QG 2 40 ARG HE 6.000 . 6.400 4.089 3.501 4.544 . 0 0 "[ . 1 ]" 2
653 2 40 ARG HE 2 45 PHE QE 6.000 . 6.400 12.826 12.545 13.068 6.668 1 13 [+****-*******] 2
654 2 40 ARG H 2 40 ARG HE 6.000 . 6.400 4.861 4.387 5.147 . 0 0 "[ . 1 ]" 2
655 2 29 ASN QB 2 31 ARG HE 5.000 . 5.300 3.034 1.943 4.674 . 0 0 "[ . 1 ]" 2
656 2 29 ASN QD 2 31 ARG HE 6.000 . 6.400 4.692 2.418 5.945 . 0 0 "[ . 1 ]" 2
657 2 31 ARG HE 2 39 GLN QE 6.000 . 6.400 5.573 4.112 6.127 . 0 0 "[ . 1 ]" 2
658 2 31 ARG HE 2 36 GLU QG 6.000 . 6.400 5.042 3.329 6.003 . 0 0 "[ . 1 ]" 2
659 2 31 ARG HE 2 36 GLU QB 6.000 . 6.400 4.966 3.229 6.010 . 0 0 "[ . 1 ]" 2
660 2 26 ALA HA 2 31 ARG HE 6.000 . 6.400 5.656 3.697 6.462 0.062 4 0 "[ . 1 ]" 2
661 2 6 LYS H 2 7 MET QG 6.000 . 6.400 5.299 3.358 6.367 . 0 0 "[ . 1 ]" 2
662 2 6 LYS QB 2 7 MET H 4.000 . 4.200 2.837 1.931 3.934 . 0 0 "[ . 1 ]" 2
663 2 6 LYS QG 2 7 MET H 5.000 . 5.300 3.886 2.968 4.499 . 0 0 "[ . 1 ]" 2
664 2 7 MET H 2 7 MET QG 3.000 . 3.100 2.649 1.991 3.178 0.078 10 0 "[ . 1 ]" 2
665 2 7 MET H 2 8 PRO HD3 5.000 . 5.300 4.722 3.312 5.140 . 0 0 "[ . 1 ]" 2
666 2 7 MET H 2 8 PRO HD2 5.000 . 5.300 4.806 3.966 5.002 . 0 0 "[ . 1 ]" 2
667 2 7 MET H 2 19 LEU QD 6.000 . 6.400 5.499 4.681 5.942 . 0 0 "[ . 1 ]" 2
668 2 8 PRO QG 2 9 GLN H 6.000 . 6.400 4.389 4.144 4.553 . 0 0 "[ . 1 ]" 2
669 2 9 GLN H 2 11 LEU QB 6.000 . 6.400 5.679 5.485 5.896 . 0 0 "[ . 1 ]" 2
670 2 8 PRO QD 2 9 GLN H 6.000 . 6.400 4.998 4.948 5.022 . 0 0 "[ . 1 ]" 2
671 2 9 GLN H 2 10 PHE QD 6.000 . 6.400 6.205 6.015 6.362 . 0 0 "[ . 1 ]" 2
672 2 8 PRO QB 2 10 PHE H 5.000 . 5.300 2.305 2.164 2.432 . 0 0 "[ . 1 ]" 2
673 2 8 PRO QB 2 10 PHE H 5.000 . 5.300 2.297 2.161 2.421 . 0 0 "[ . 1 ]" 2
674 2 8 PRO QG 2 10 PHE H 6.000 . 6.400 3.563 3.308 3.866 . 0 0 "[ . 1 ]" 2
675 2 10 PHE H 2 11 LEU QB 5.000 . 5.300 4.523 4.276 4.796 . 0 0 "[ . 1 ]" 2
676 2 10 PHE H 2 11 LEU QD 6.000 . 6.400 4.512 4.280 4.656 . 0 0 "[ . 1 ]" 2
677 2 8 PRO QB 2 11 LEU H 6.000 . 6.400 3.173 2.992 3.389 . 0 0 "[ . 1 ]" 2
678 2 8 PRO QG 2 11 LEU H 6.000 . 6.400 2.657 2.368 3.185 . 0 0 "[ . 1 ]" 2
679 2 8 PRO QD 2 11 LEU H 6.000 . 6.400 3.582 3.437 3.697 . 0 0 "[ . 1 ]" 2
680 2 10 PHE QD 2 11 LEU H 5.000 . 5.300 3.742 3.503 3.957 . 0 0 "[ . 1 ]" 2
681 2 11 LEU H 2 12 ASN HA 6.000 . 6.400 4.793 4.729 4.866 . 0 0 "[ . 1 ]" 2
682 2 11 LEU H 2 12 ASN QB 6.000 . 6.400 4.100 4.001 4.241 . 0 0 "[ . 1 ]" 2
683 2 11 LEU HG 2 12 ASN H 5.000 . 5.300 4.671 4.555 4.797 . 0 0 "[ . 1 ]" 2
684 2 11 LEU QB 2 12 ASN H 4.000 . 4.200 3.665 3.562 3.770 . 0 0 "[ . 1 ]" 2
685 2 12 ASN H 2 12 ASN HB3 3.000 . 3.100 2.956 2.808 3.150 0.050 10 0 "[ . 1 ]" 2
686 2 12 ASN H 2 12 ASN HB2 3.000 . 3.100 2.041 1.950 2.115 . 0 0 "[ . 1 ]" 2
687 2 11 LEU QD 2 12 ASN H 5.000 . 5.300 4.347 4.243 4.405 . 0 0 "[ . 1 ]" 2
688 2 11 LEU QB 2 13 ARG H 5.000 . 5.300 4.714 4.584 4.902 . 0 0 "[ . 1 ]" 2
689 2 11 LEU QD 2 13 ARG H 6.000 . 6.400 4.764 4.624 4.934 . 0 0 "[ . 1 ]" 2
690 2 12 ASN HB3 2 13 ARG H 4.000 . 4.200 3.078 2.862 3.264 . 0 0 "[ . 1 ]" 2
691 2 12 ASN HB2 2 13 ARG H 4.000 . 4.200 3.591 3.374 3.779 . 0 0 "[ . 1 ]" 2
692 2 13 ARG H 2 13 ARG HB3 4.000 . 4.200 3.150 2.601 3.530 . 0 0 "[ . 1 ]" 2
693 2 13 ARG H 2 13 ARG HB2 4.000 . 4.200 2.142 1.986 2.431 . 0 0 "[ . 1 ]" 2
694 2 13 ARG H 2 13 ARG QD 5.000 . 5.300 3.785 2.256 4.488 . 0 0 "[ . 1 ]" 2
695 2 13 ARG H 2 14 TRP HD1 4.000 . 4.200 3.271 3.013 3.428 . 0 0 "[ . 1 ]" 2
696 2 13 ARG H 2 19 LEU QD 5.000 . 5.300 4.721 4.525 5.011 . 0 0 "[ . 1 ]" 2
697 2 11 LEU QB 2 14 TRP H 5.000 . 5.300 3.918 3.772 4.050 . 0 0 "[ . 1 ]" 2
698 2 13 ARG HB3 2 14 TRP H 4.000 . 4.200 3.489 2.947 4.024 . 0 0 "[ . 1 ]" 2
699 2 13 ARG HB2 2 14 TRP H 4.000 . 4.200 3.505 3.013 4.064 . 0 0 "[ . 1 ]" 2
700 2 12 ASN HB3 2 14 TRP H 5.000 . 5.300 5.024 4.833 5.119 . 0 0 "[ . 1 ]" 2
701 2 12 ASN HB2 2 14 TRP H 6.000 . 6.400 5.378 5.242 5.540 . 0 0 "[ . 1 ]" 2
702 2 11 LEU QD 2 14 TRP H 6.000 . 6.400 4.116 3.744 4.563 . 0 0 "[ . 1 ]" 2
703 2 14 TRP H 2 15 PRO QD 5.000 . 5.300 4.400 4.355 4.424 . 0 0 "[ . 1 ]" 2
704 2 14 TRP H 2 14 TRP HE3 5.000 . 5.300 5.328 5.308 5.368 0.068 8 0 "[ . 1 ]" 2
705 2 14 TRP H 2 14 TRP HE1 5.000 . 5.300 4.599 4.464 4.788 . 0 0 "[ . 1 ]" 2
706 2 14 TRP H 2 18 VAL HB 6.000 . 6.400 6.486 6.421 6.578 0.178 1 0 "[ . 1 ]" 2
707 2 15 PRO QG 2 16 ARG H 6.000 . 6.400 4.181 4.024 4.417 . 0 0 "[ . 1 ]" 2
708 2 15 PRO QD 2 16 ARG H 6.000 . 6.400 4.942 4.892 4.975 . 0 0 "[ . 1 ]" 2
709 2 16 ARG H 2 16 ARG QD 5.000 . 5.300 4.372 3.509 4.753 . 0 0 "[ . 1 ]" 2
710 2 16 ARG H 2 18 VAL QG 5.000 . 5.300 5.184 5.005 5.326 0.026 9 0 "[ . 1 ]" 2
711 2 15 PRO HB3 2 17 GLU H 4.000 . 4.200 3.900 3.787 4.074 . 0 0 "[ . 1 ]" 2
712 2 17 GLU H 2 19 LEU QD 6.000 . 6.400 5.165 4.969 5.477 . 0 0 "[ . 1 ]" 2
713 2 14 TRP QB 2 17 GLU H 6.000 . 6.400 4.670 4.169 4.925 . 0 0 "[ . 1 ]" 2
714 2 17 GLU H 2 17 GLU QG 3.000 . 3.100 2.510 1.928 3.110 0.010 13 0 "[ . 1 ]" 2
715 2 17 GLU H 2 41 VAL QG 6.000 . 6.400 12.833 12.523 13.235 6.835 4 13 [***+********-] 2
716 2 18 VAL H 2 19 LEU QD 5.000 . 5.300 4.584 4.306 4.873 . 0 0 "[ . 1 ]" 2
717 2 15 PRO HB2 2 18 VAL H 4.000 . 4.200 3.215 3.000 3.443 . 0 0 "[ . 1 ]" 2
718 2 15 PRO QD 2 18 VAL H 6.000 . 6.400 3.919 3.781 4.158 . 0 0 "[ . 1 ]" 2
719 2 15 PRO HB3 2 18 VAL H 5.000 . 5.300 4.167 4.109 4.289 . 0 0 "[ . 1 ]" 2
720 2 16 ARG QG 2 18 VAL H 5.000 . 5.300 4.142 3.705 4.670 . 0 0 "[ . 1 ]" 2
721 2 18 VAL H 2 18 VAL HB 3.000 . 3.100 2.358 2.309 2.433 . 0 0 "[ . 1 ]" 2
722 2 18 VAL H 2 18 VAL QG 3.000 . 3.100 2.230 1.915 2.533 . 0 0 "[ . 1 ]" 2
723 2 18 VAL H 2 21 LEU QD 6.000 . 6.400 5.817 5.633 5.949 . 0 0 "[ . 1 ]" 2
724 2 18 VAL H 2 41 VAL QG 6.000 . 6.400 10.950 10.733 11.254 4.854 4 13 [***+********-] 2
725 2 14 TRP HE3 2 19 LEU H 6.000 . 6.400 4.326 4.152 4.567 . 0 0 "[ . 1 ]" 2
726 2 14 TRP HB3 2 19 LEU H 6.000 . 6.400 3.834 3.649 4.025 . 0 0 "[ . 1 ]" 2
727 2 14 TRP HB2 2 19 LEU H 6.000 . 6.400 4.984 4.802 5.223 . 0 0 "[ . 1 ]" 2
728 2 19 LEU H 2 20 ASP HA 5.000 . 5.300 5.327 5.298 5.439 0.139 4 0 "[ . 1 ]" 2
729 2 19 LEU H 2 20 ASP QB 6.000 . 6.400 4.323 4.232 4.462 . 0 0 "[ . 1 ]" 2
730 2 19 LEU H 2 21 LEU QB 6.000 . 6.400 5.014 4.930 5.142 . 0 0 "[ . 1 ]" 2
731 2 19 LEU H 2 41 VAL QG 6.000 . 6.400 10.262 10.046 10.461 4.061 1 13 [+**********-*] 2
732 2 16 ARG QD 2 20 ASP H 5.000 . 5.300 5.203 4.138 5.431 0.131 2 0 "[ . 1 ]" 2
733 2 18 VAL HB 2 20 ASP H 5.000 . 5.300 4.829 4.701 4.974 . 0 0 "[ . 1 ]" 2
734 2 19 LEU QD 2 20 ASP H 4.000 . 4.200 4.151 4.083 4.227 0.027 12 0 "[ . 1 ]" 2
735 2 20 ASP H 2 21 LEU QB 5.000 . 5.300 4.205 4.100 4.277 . 0 0 "[ . 1 ]" 2
736 2 20 ASP H 2 21 LEU QD 6.000 . 6.400 5.411 5.253 5.526 . 0 0 "[ . 1 ]" 2
737 2 19 LEU QB 2 21 LEU H 5.000 . 5.300 4.589 4.516 4.727 . 0 0 "[ . 1 ]" 2
738 2 19 LEU QD 2 21 LEU H 5.000 . 5.300 5.157 5.060 5.296 . 0 0 "[ . 1 ]" 2
739 2 20 ASP HB3 2 21 LEU H 4.000 . 4.200 2.869 2.561 3.134 . 0 0 "[ . 1 ]" 2
740 2 20 ASP HB2 2 21 LEU H 4.000 . 4.200 3.810 3.372 4.004 . 0 0 "[ . 1 ]" 2
741 2 21 LEU H 2 21 LEU QD 4.000 . 4.200 3.682 3.608 3.723 . 0 0 "[ . 1 ]" 2
742 2 21 LEU H 2 22 VAL HB 5.000 . 5.300 4.540 4.416 4.731 . 0 0 "[ . 1 ]" 2
743 2 21 LEU H 2 24 LYS QB 5.000 . 5.300 5.088 4.743 5.394 0.094 6 0 "[ . 1 ]" 2
744 2 22 VAL H 2 45 PHE HZ 4.000 . 4.200 18.184 17.851 18.580 14.380 10 13 [****-****+***] 2
745 2 19 LEU QD 2 22 VAL H 4.000 . 4.200 4.160 4.102 4.245 0.045 1 0 "[ . 1 ]" 2
746 2 22 VAL H 2 41 VAL QG 5.000 . 5.300 9.270 8.970 9.469 4.169 10 13 [*********+*-*] 2
747 2 20 ASP HB3 2 22 VAL H 6.000 . 6.400 5.182 4.989 5.386 . 0 0 "[ . 1 ]" 2
748 2 20 ASP HB2 2 22 VAL H 6.000 . 6.400 5.855 5.555 6.056 . 0 0 "[ . 1 ]" 2
749 2 21 LEU QB 2 22 VAL H 4.000 . 4.200 2.482 2.319 2.641 . 0 0 "[ . 1 ]" 2
750 2 21 LEU QD 2 22 VAL H 5.000 . 5.300 3.709 3.280 3.883 . 0 0 "[ . 1 ]" 2
751 2 22 VAL H 2 22 VAL HB 3.000 . 3.100 2.538 2.470 2.596 . 0 0 "[ . 1 ]" 2
752 2 14 TRP HZ3 2 23 ARG H 6.000 . 6.400 7.138 6.821 7.439 1.039 12 11 "[***-*****1*+ ]" 2
753 2 19 LEU QD 2 23 ARG H 4.000 . 4.200 3.365 3.105 3.525 . 0 0 "[ . 1 ]" 2
754 2 21 LEU QB 2 23 ARG H 5.000 . 5.300 4.305 4.223 4.457 . 0 0 "[ . 1 ]" 2
755 2 21 LEU QD 2 23 ARG H 6.000 . 6.400 5.227 4.892 5.430 . 0 0 "[ . 1 ]" 2
756 2 11 LEU HG 2 23 ARG H 6.000 . 6.400 5.205 4.880 5.398 . 0 0 "[ . 1 ]" 2
757 2 23 ARG H 2 23 ARG QB 3.000 . 3.100 2.328 1.962 2.534 . 0 0 "[ . 1 ]" 2
758 2 23 ARG H 2 23 ARG QG 4.000 . 4.200 2.574 1.905 3.933 . 0 0 "[ . 1 ]" 2
759 2 23 ARG H 2 23 ARG QD 4.000 . 4.200 3.959 3.182 4.277 0.077 5 0 "[ . 1 ]" 2
760 2 19 LEU QD 2 24 LYS H 6.000 . 6.400 4.623 4.383 4.894 . 0 0 "[ . 1 ]" 2
761 2 21 LEU QD 2 24 LYS H 5.000 . 5.300 4.595 4.178 5.063 . 0 0 "[ . 1 ]" 2
762 2 22 VAL HB 2 24 LYS H 6.000 . 6.400 5.006 4.659 5.319 . 0 0 "[ . 1 ]" 2
763 2 23 ARG QG 2 24 LYS H 4.000 . 4.200 2.966 1.900 3.834 . 0 0 "[ . 1 ]" 2
764 2 23 ARG QD 2 24 LYS H 5.000 . 5.300 4.064 2.200 5.160 . 0 0 "[ . 1 ]" 2
765 2 24 LYS H 2 24 LYS HG3 4.000 . 4.200 3.734 3.152 4.242 0.042 13 0 "[ . 1 ]" 2
766 2 24 LYS H 2 24 LYS HG2 4.000 . 4.200 3.672 2.499 4.283 0.083 6 0 "[ . 1 ]" 2
767 2 24 LYS H 2 25 VAL HB 5.000 . 5.300 4.712 4.387 5.045 . 0 0 "[ . 1 ]" 2
768 2 24 LYS QB 2 25 VAL H 3.000 . 3.100 2.950 2.762 3.137 0.037 8 0 "[ . 1 ]" 2
769 2 25 VAL H 2 25 VAL HB 3.000 . 3.100 2.338 2.254 2.443 . 0 0 "[ . 1 ]" 2
770 2 23 ARG QG 2 26 ALA H 5.000 . 5.300 4.947 4.420 5.286 . 0 0 "[ . 1 ]" 2
771 2 25 VAL HB 2 26 ALA H 4.000 . 4.200 2.728 2.553 2.988 . 0 0 "[ . 1 ]" 2
772 2 25 VAL QG 2 26 ALA H 3.000 . 3.100 2.973 2.849 3.069 . 0 0 "[ . 1 ]" 2
773 2 26 ALA H 2 26 ALA MB 3.000 . 3.100 2.048 1.920 2.171 . 0 0 "[ . 1 ]" 2
774 2 26 ALA H 2 29 ASN QB 6.000 . 6.400 5.423 4.960 5.712 . 0 0 "[ . 1 ]" 2
775 2 26 ALA H 2 27 GLU QG 5.000 . 5.300 3.257 2.883 4.106 . 0 0 "[ . 1 ]" 2
776 2 25 VAL QG 2 27 GLU H 5.000 . 5.300 3.906 3.828 4.034 . 0 0 "[ . 1 ]" 2
777 2 26 ALA MB 2 27 GLU H 3.000 . 3.100 2.594 2.443 2.777 . 0 0 "[ . 1 ]" 2
778 2 27 GLU H 2 27 GLU QB 3.000 . 3.100 2.152 1.966 2.510 . 0 0 "[ . 1 ]" 2
779 2 24 LYS QD 2 28 GLU H 6.000 . 6.400 5.822 4.626 6.403 0.003 6 0 "[ . 1 ]" 2
780 2 25 VAL QG 2 28 GLU H 5.000 . 5.300 4.200 4.082 4.322 . 0 0 "[ . 1 ]" 2
781 2 26 ALA MB 2 28 GLU H 4.000 . 4.200 4.267 4.120 4.393 0.193 6 0 "[ . 1 ]" 2
782 2 28 GLU H 2 28 GLU QB 3.000 . 3.100 2.163 1.966 2.562 . 0 0 "[ . 1 ]" 2
783 2 28 GLU H 2 29 ASN HA 5.000 . 5.300 5.227 5.048 5.345 0.045 5 0 "[ . 1 ]" 2
784 2 28 GLU H 2 29 ASN QB 5.000 . 5.300 4.180 3.902 4.427 . 0 0 "[ . 1 ]" 2
785 2 28 GLU H 2 31 ARG QG 6.000 . 6.400 6.151 5.212 6.478 0.078 13 0 "[ . 1 ]" 2
786 2 25 VAL QG 2 29 ASN H 5.000 . 5.300 3.948 3.677 4.261 . 0 0 "[ . 1 ]" 2
787 2 26 ALA MB 2 29 ASN H 5.000 . 5.300 5.022 4.716 5.293 . 0 0 "[ . 1 ]" 2
788 2 28 GLU QB 2 29 ASN H 4.000 . 4.200 2.604 2.228 3.529 . 0 0 "[ . 1 ]" 2
789 2 28 GLU QG 2 29 ASN H 4.000 . 4.200 3.688 2.074 4.286 0.086 1 0 "[ . 1 ]" 2
790 2 29 ASN H 2 29 ASN QB 3.000 . 3.100 2.095 1.956 2.307 . 0 0 "[ . 1 ]" 2
791 2 29 ASN H 2 29 ASN QD 5.000 . 5.300 3.211 2.218 4.010 . 0 0 "[ . 1 ]" 2
792 2 29 ASN H 2 31 ARG QG 5.000 . 5.300 4.720 4.068 4.965 . 0 0 "[ . 1 ]" 2
793 2 25 VAL QG 2 30 GLY H 6.000 . 6.400 5.739 5.503 6.163 . 0 0 "[ . 1 ]" 2
794 2 26 ALA MB 2 30 GLY H 6.000 . 6.400 5.013 4.686 5.623 . 0 0 "[ . 1 ]" 2
795 2 27 GLU QG 2 30 GLY H 6.000 . 6.400 5.343 4.853 5.873 . 0 0 "[ . 1 ]" 2
796 2 28 GLU QB 2 30 GLY H 5.000 . 5.300 4.489 4.160 5.027 . 0 0 "[ . 1 ]" 2
797 2 29 ASN QB 2 30 GLY H 4.000 . 4.200 2.821 2.407 3.473 . 0 0 "[ . 1 ]" 2
798 2 30 GLY H 2 31 ARG QG 5.000 . 5.300 3.566 3.062 4.169 . 0 0 "[ . 1 ]" 2
799 2 29 ASN QB 2 31 ARG H 4.000 . 4.200 3.347 2.947 4.240 0.040 2 0 "[ . 1 ]" 2
800 2 31 ARG H 2 31 ARG QG 4.000 . 4.200 2.576 2.157 2.770 . 0 0 "[ . 1 ]" 2
801 2 31 ARG H 2 31 ARG QD 5.000 . 5.300 4.283 3.491 4.568 . 0 0 "[ . 1 ]" 2
802 2 31 ARG QB 2 32 SER H 4.000 . 4.200 1.959 1.904 2.054 . 0 0 "[ . 1 ]" 2
803 2 31 ARG QG 2 32 SER H 4.000 . 4.200 3.594 2.624 4.028 . 0 0 "[ . 1 ]" 2
804 2 31 ARG HD3 2 32 SER H 6.000 . 6.400 4.460 2.864 5.227 . 0 0 "[ . 1 ]" 2
805 2 31 ARG HD2 2 32 SER H 6.000 . 6.400 4.425 3.757 5.053 . 0 0 "[ . 1 ]" 2
806 2 32 SER H 2 33 VAL HA 6.000 . 6.400 5.310 5.197 5.501 . 0 0 "[ . 1 ]" 2
807 2 32 SER H 2 33 VAL QG 5.000 . 5.300 5.226 5.200 5.251 . 0 0 "[ . 1 ]" 2
808 2 32 SER H 2 34 ASN QB 6.000 . 6.400 5.093 4.748 5.416 . 0 0 "[ . 1 ]" 2
809 2 32 SER H 2 36 GLU QB 6.000 . 6.400 4.899 4.452 5.602 . 0 0 "[ . 1 ]" 2
810 2 32 SER H 2 33 VAL HB 6.000 . 6.400 4.803 4.453 5.372 . 0 0 "[ . 1 ]" 2
811 2 11 LEU QD 2 33 VAL H 6.000 . 6.400 5.985 5.740 6.207 . 0 0 "[ . 1 ]" 2
812 2 10 PHE QE 2 33 VAL H 6.000 . 6.400 10.885 10.560 11.286 4.886 2 13 [*+******-****] 2
813 2 33 VAL H 2 34 ASN QB 5.000 . 5.300 4.140 3.938 4.318 . 0 0 "[ . 1 ]" 2
814 2 26 ALA MB 2 34 ASN H 6.000 . 6.400 4.383 4.156 4.645 . 0 0 "[ . 1 ]" 2
815 2 10 PHE QE 2 34 ASN H 5.000 . 5.300 9.409 9.098 9.834 4.534 12 13 [*****-*****+*] 2
816 2 11 LEU QD 2 34 ASN H 6.000 . 6.400 5.468 5.279 5.732 . 0 0 "[ . 1 ]" 2
817 2 13 ARG QB 2 34 ASN H 6.000 . 6.400 14.210 13.920 14.620 8.219 12 13 [*****-*****+*] 2
818 2 32 SER HB3 2 34 ASN H 5.000 . 5.300 2.947 2.246 4.192 . 0 0 "[ . 1 ]" 2
819 2 32 SER HB2 2 34 ASN H 5.000 . 5.300 3.300 2.461 4.317 . 0 0 "[ . 1 ]" 2
820 2 33 VAL QG 2 34 ASN H 4.000 . 4.200 3.440 3.341 3.532 . 0 0 "[ . 1 ]" 2
821 2 34 ASN H 2 34 ASN QB 3.000 . 3.100 2.119 1.942 2.216 . 0 0 "[ . 1 ]" 2
822 2 8 PRO QD 2 34 ASN H 5.000 . 5.300 4.116 3.917 4.317 . 0 0 "[ . 1 ]" 2
823 2 34 ASN H 2 37 ILE QG 6.000 . 6.400 4.953 4.743 5.271 . 0 0 "[ . 1 ]" 2
824 2 34 ASN H 2 37 ILE HB 6.000 . 6.400 5.081 4.909 5.360 . 0 0 "[ . 1 ]" 2
825 2 10 PHE QE 2 35 SER H 6.000 . 6.400 9.884 9.563 10.222 3.822 12 13 [*****-*****+*] 2
826 2 26 ALA MB 2 35 SER H 6.000 . 6.400 4.626 4.486 4.815 . 0 0 "[ . 1 ]" 2
827 2 31 ARG HD3 2 35 SER H 6.000 . 6.400 5.994 3.936 6.451 0.051 13 0 "[ . 1 ]" 2
828 2 31 ARG HD2 2 35 SER H 6.000 . 6.400 5.628 3.988 6.448 0.048 12 0 "[ . 1 ]" 2
829 2 32 SER QB 2 35 SER H 6.000 . 6.400 2.983 2.528 4.196 . 0 0 "[ . 1 ]" 2
830 2 34 ASN QB 2 35 SER H 4.000 . 4.200 2.708 2.450 2.849 . 0 0 "[ . 1 ]" 2
831 2 34 ASN QD 2 35 SER H 6.000 . 6.400 4.920 4.296 5.383 . 0 0 "[ . 1 ]" 2
832 2 35 SER H 2 35 SER QB 3.000 . 3.100 2.127 1.990 2.327 . 0 0 "[ . 1 ]" 2
833 2 33 VAL QG 2 35 SER H 5.000 . 5.300 4.506 4.312 4.763 . 0 0 "[ . 1 ]" 2
834 2 22 VAL QG 2 35 SER H 5.000 . 5.300 4.373 4.240 4.582 . 0 0 "[ . 1 ]" 2
835 2 35 SER H 2 37 ILE QG 6.000 . 6.400 5.115 4.936 5.357 . 0 0 "[ . 1 ]" 2
836 2 31 ARG QD 2 36 GLU H 5.000 . 5.300 4.502 2.596 5.115 . 0 0 "[ . 1 ]" 2
837 2 10 PHE QE 2 36 GLU H 6.000 . 6.400 9.927 9.646 10.304 3.904 5 13 [****+**-*****] 2
838 2 31 ARG QG 2 36 GLU H 5.000 . 5.300 4.795 3.126 5.422 0.122 9 0 "[ . 1 ]" 2
839 2 36 GLU H 2 37 ILE QG 5.000 . 5.300 4.174 3.991 4.333 . 0 0 "[ . 1 ]" 2
840 2 22 VAL QG 2 36 GLU H 4.000 . 4.200 3.873 3.733 4.029 . 0 0 "[ . 1 ]" 2
841 2 33 VAL QG 2 36 GLU H 5.000 . 5.300 3.989 3.760 4.218 . 0 0 "[ . 1 ]" 2
842 2 34 ASN QB 2 36 GLU H 5.000 . 5.300 4.013 3.860 4.108 . 0 0 "[ . 1 ]" 2
843 2 36 GLU H 2 36 GLU HG3 4.000 . 4.200 4.376 4.289 4.443 0.243 2 0 "[ . 1 ]" 2
844 2 36 GLU H 2 36 GLU HG2 4.000 . 4.200 4.364 4.251 4.485 0.285 3 0 "[ . 1 ]" 2
845 2 31 ARG QD 2 37 ILE H 5.000 . 5.300 5.021 4.446 5.160 . 0 0 "[ . 1 ]" 2
846 2 34 ASN QB 2 37 ILE H 6.000 . 6.400 4.062 3.885 4.203 . 0 0 "[ . 1 ]" 2
847 2 37 ILE H 2 41 VAL QG 6.000 . 6.400 5.310 5.210 5.533 . 0 0 "[ . 1 ]" 2
848 2 36 GLU QB 2 37 ILE H 3.000 . 3.100 1.925 1.782 2.187 0.018 1 0 "[ . 1 ]" 2
849 2 11 LEU QD 2 37 ILE H 6.000 . 6.400 5.255 5.050 5.401 . 0 0 "[ . 1 ]" 2
850 2 10 PHE QE 2 37 ILE H 5.000 . 5.300 7.889 7.531 8.338 3.038 5 13 [****+-*******] 2
851 2 14 TRP HZ2 2 37 ILE H 6.000 . 6.400 8.323 8.051 8.761 2.361 12 13 [*********-*+*] 2
852 2 26 ALA MB 2 37 ILE H 5.000 . 5.300 4.882 4.560 5.110 . 0 0 "[ . 1 ]" 2
853 2 14 TRP HZ2 2 38 TYR H 4.000 . 4.200 8.701 8.428 9.166 4.966 12 13 [*********-*+*] 2
854 2 14 TRP HH2 2 38 TYR H 5.000 . 5.300 7.025 6.820 7.337 2.037 12 13 [*********-*+*] 2
855 2 37 ILE MG 2 38 TYR H 4.000 . 4.200 3.646 3.574 3.777 . 0 0 "[ . 1 ]" 2
856 2 38 TYR H 2 39 GLN HA 6.000 . 6.400 5.256 5.177 5.333 . 0 0 "[ . 1 ]" 2
857 2 37 ILE MD 2 39 GLN H 6.000 . 6.400 5.783 5.417 6.750 0.350 12 0 "[ . 1 ]" 2
858 2 38 TYR QB 2 39 GLN H 4.000 . 4.200 2.642 2.506 2.814 . 0 0 "[ . 1 ]" 2
859 2 38 TYR QD 2 39 GLN H 4.000 . 4.200 3.919 3.771 4.153 . 0 0 "[ . 1 ]" 2
860 2 38 TYR QE 2 39 GLN H 6.000 . 6.400 5.746 5.628 5.966 . 0 0 "[ . 1 ]" 2
861 2 14 TRP HH2 2 39 GLN H 6.000 . 6.400 8.356 7.970 8.781 2.381 12 13 [*****-*****+*] 2
862 2 14 TRP HZ2 2 39 GLN H 6.000 . 6.400 10.200 9.866 10.741 4.341 12 13 [*****-*****+*] 2
863 2 39 GLN H 2 39 GLN QB 3.000 . 3.100 2.090 1.942 2.298 . 0 0 "[ . 1 ]" 2
864 2 39 GLN H 2 41 VAL QG 6.000 . 6.400 4.743 4.582 4.944 . 0 0 "[ . 1 ]" 2
865 2 39 GLN QB 2 40 ARG H 4.000 . 4.200 2.410 2.188 2.633 . 0 0 "[ . 1 ]" 2
866 2 40 ARG H 2 40 ARG QD 5.000 . 5.300 3.476 1.899 4.040 . 0 0 "[ . 1 ]" 2
867 2 40 ARG H 2 41 VAL QG 4.000 . 4.200 4.118 4.024 4.297 0.097 9 0 "[ . 1 ]" 2
868 2 37 ILE MD 2 41 VAL H 5.000 . 5.300 5.459 5.170 6.208 0.908 12 2 "[ - 1 + ]" 2
869 2 40 ARG HD3 2 41 VAL H 6.000 . 6.400 5.648 4.373 6.091 . 0 0 "[ . 1 ]" 2
870 2 40 ARG HD2 2 41 VAL H 6.000 . 6.400 5.357 4.479 5.991 . 0 0 "[ . 1 ]" 2
871 2 14 TRP HH2 2 41 VAL H 5.000 . 5.300 6.791 6.544 7.103 1.803 11 13 [********-*+**] 2
872 2 41 VAL H 2 41 VAL HB 3.000 . 3.100 2.185 2.112 2.231 . 0 0 "[ . 1 ]" 2
873 2 38 TYR QD 2 42 MET H 6.000 . 6.400 4.953 4.733 5.084 . 0 0 "[ . 1 ]" 2
874 2 42 MET H 2 45 PHE QB 6.000 . 6.400 5.895 5.661 6.130 . 0 0 "[ . 1 ]" 2
875 2 42 MET H 2 45 PHE QD 6.000 . 6.400 5.092 4.832 5.318 . 0 0 "[ . 1 ]" 2
876 2 42 MET H 2 45 PHE QE 6.000 . 6.400 5.825 5.682 6.012 . 0 0 "[ . 1 ]" 2
877 2 41 VAL QG 2 42 MET H 4.000 . 4.200 3.259 3.149 3.366 . 0 0 "[ . 1 ]" 2
878 2 18 VAL QG 2 42 MET H 4.000 . 4.200 3.275 3.166 3.387 . 0 0 "[ . 1 ]" 2
879 2 42 MET HB3 2 43 GLU H 4.000 . 4.200 2.821 2.074 3.346 . 0 0 "[ . 1 ]" 2
880 2 42 MET HB2 2 43 GLU H 4.000 . 4.200 3.107 2.764 3.449 . 0 0 "[ . 1 ]" 2
881 2 43 GLU H 2 43 GLU QB 3.000 . 3.100 2.179 1.994 2.370 . 0 0 "[ . 1 ]" 2
882 2 43 GLU H 2 43 GLU QG 4.000 . 4.200 2.569 1.937 3.316 . 0 0 "[ . 1 ]" 2
883 2 41 VAL QG 2 43 GLU H 5.000 . 5.300 4.459 4.179 4.826 . 0 0 "[ . 1 ]" 2
884 2 18 VAL QG 2 43 GLU H 5.000 . 5.300 4.731 4.336 5.143 . 0 0 "[ . 1 ]" 2
885 2 43 GLU H 2 46 LYS QG 6.000 . 6.400 5.733 4.652 6.411 0.011 8 0 "[ . 1 ]" 2
886 2 41 VAL QG 2 44 SER H 5.000 . 5.300 4.258 4.118 4.498 . 0 0 "[ . 1 ]" 2
887 2 41 VAL QG 2 44 SER H 5.000 . 5.300 4.415 4.255 4.658 . 0 0 "[ . 1 ]" 2
888 2 43 GLU QB 2 44 SER H 4.000 . 4.200 2.994 2.661 3.611 . 0 0 "[ . 1 ]" 2
889 2 43 GLU QG 2 44 SER H 5.000 . 5.300 3.837 2.036 4.615 . 0 0 "[ . 1 ]" 2
890 2 44 SER H 2 45 PHE QB 5.000 . 5.300 4.583 4.357 4.758 . 0 0 "[ . 1 ]" 2
891 2 44 SER H 2 45 PHE QD 5.000 . 5.300 4.862 4.446 5.085 . 0 0 "[ . 1 ]" 2
892 2 45 PHE H 2 45 PHE QB 3.000 . 3.100 2.253 2.199 2.359 . 0 0 "[ . 1 ]" 2
893 2 45 PHE H 2 45 PHE QD 4.000 . 4.200 3.000 2.879 3.146 . 0 0 "[ . 1 ]" 2
894 2 45 PHE H 2 45 PHE QE 5.000 . 5.300 4.489 4.307 4.648 . 0 0 "[ . 1 ]" 2
895 2 21 LEU QD 2 45 PHE H 6.000 . 6.400 13.133 12.546 13.522 7.122 4 13 [**-+*********] 2
896 2 18 VAL QG 2 45 PHE H 5.000 . 5.300 10.738 10.436 11.021 5.721 4 13 [**-+*********] 2
897 2 40 ARG QD 2 45 PHE H 6.000 . 6.400 6.503 5.807 7.620 1.220 7 4 "[ - * +* 1 ]" 2
898 2 45 PHE H 2 48 GLU QB 6.000 . 6.400 5.856 4.937 6.403 0.003 3 0 "[ . 1 ]" 2
899 2 45 PHE H 2 51 ILE QG 6.000 . 6.400 4.882 4.395 5.449 . 0 0 "[ . 1 ]" 2
900 2 45 PHE H 2 46 LYS QG 5.000 . 5.300 4.508 4.058 5.128 . 0 0 "[ . 1 ]" 2
901 2 46 LYS H 2 46 LYS QB 3.000 . 3.100 2.117 1.957 2.252 . 0 0 "[ . 1 ]" 2
902 2 46 LYS H 2 46 LYS QE 6.000 . 6.400 4.711 3.984 5.741 . 0 0 "[ . 1 ]" 2
903 2 46 LYS H 2 51 ILE QG 5.000 . 5.300 3.980 3.065 5.010 . 0 0 "[ . 1 ]" 2
904 2 45 PHE QB 2 47 LYS H 6.000 . 6.400 4.674 4.390 5.015 . 0 0 "[ . 1 ]" 2
905 2 47 LYS H 2 47 LYS QG 4.000 . 4.200 3.284 2.529 3.919 . 0 0 "[ . 1 ]" 2
906 2 47 LYS H 2 47 LYS QE 6.000 . 6.400 5.239 3.547 5.917 . 0 0 "[ . 1 ]" 2
907 2 46 LYS QG 2 47 LYS H 4.000 . 4.200 3.978 3.642 4.225 0.025 7 0 "[ . 1 ]" 2
908 2 47 LYS H 2 48 GLU QB 5.000 . 5.300 4.533 4.155 4.878 . 0 0 "[ . 1 ]" 2
909 2 45 PHE QB 2 48 GLU H 6.000 . 6.400 4.640 4.131 5.223 . 0 0 "[ . 1 ]" 2
910 2 48 GLU H 2 51 ILE MD 6.000 . 6.400 5.944 5.530 6.443 0.043 9 0 "[ . 1 ]" 2
911 2 45 PHE QD 2 48 GLU H 6.000 . 6.400 5.345 5.054 5.522 . 0 0 "[ . 1 ]" 2
912 2 47 LYS QB 2 48 GLU H 3.000 . 3.100 2.495 1.995 2.889 . 0 0 "[ . 1 ]" 2
913 2 48 GLU H 2 48 GLU QB 3.000 . 3.100 2.187 1.949 2.413 . 0 0 "[ . 1 ]" 2
914 2 48 GLU H 2 48 GLU QG 4.000 . 4.200 3.101 2.104 3.966 . 0 0 "[ . 1 ]" 2
915 2 46 LYS QG 2 49 GLY H 6.000 . 6.400 4.294 3.906 4.801 . 0 0 "[ . 1 ]" 2
916 2 45 PHE QB 2 49 GLY H 6.000 . 6.400 4.348 3.263 5.273 . 0 0 "[ . 1 ]" 2
917 2 47 LYS QG 2 49 GLY H 6.000 . 6.400 5.654 5.005 6.313 . 0 0 "[ . 1 ]" 2
918 2 48 GLU QB 2 49 GLY H 4.000 . 4.200 2.714 2.232 3.591 . 0 0 "[ . 1 ]" 2
919 2 48 GLU HG3 2 49 GLY H 5.000 . 5.300 4.759 4.328 5.322 0.022 1 0 "[ . 1 ]" 2
920 2 48 GLU HG2 2 49 GLY H 5.000 . 5.300 4.749 4.220 5.136 . 0 0 "[ . 1 ]" 2
921 2 45 PHE QB 2 50 ARG H 5.000 . 5.300 3.362 2.579 3.788 . 0 0 "[ . 1 ]" 2
922 2 48 GLU QB 2 50 ARG H 4.000 . 4.200 3.016 2.584 3.431 . 0 0 "[ . 1 ]" 2
923 2 48 GLU HG3 2 50 ARG H 6.000 . 6.400 5.513 4.883 6.409 0.009 1 0 "[ . 1 ]" 2
924 2 48 GLU HG2 2 50 ARG H 6.000 . 6.400 5.524 3.635 6.256 . 0 0 "[ . 1 ]" 2
925 2 50 ARG H 2 51 ILE QG 6.000 . 6.400 3.800 3.439 4.212 . 0 0 "[ . 1 ]" 2
926 2 21 LEU HG 2 50 ARG H 6.000 . 6.400 16.207 15.806 16.739 10.339 5 13 [*-**+********] 2
927 2 21 LEU QD 2 50 ARG H 6.000 . 6.400 17.623 17.135 18.226 11.826 4 13 [**-+*********] 2
928 2 45 PHE QD 2 50 ARG H 5.000 . 5.300 4.815 4.494 5.057 . 0 0 "[ . 1 ]" 2
929 2 51 ILE H 2 51 ILE QG 4.000 . 4.200 2.004 1.877 2.275 . 0 0 "[ . 1 ]" 2
930 2 45 PHE QD 2 51 ILE H 5.000 . 5.300 5.190 4.988 5.320 0.020 2 0 "[ . 1 ]" 2
931 2 21 LEU QD 2 51 ILE H 6.000 . 6.400 17.805 17.018 18.382 11.982 10 13 [**-******+***] 2
932 2 46 LYS QG 2 52 GLY H 4.000 . 4.200 3.546 3.081 4.066 . 0 0 "[ . 1 ]" 2
933 2 51 ILE HB 2 53 ALA H 4.000 . 4.200 3.734 2.951 4.224 0.024 2 0 "[ . 1 ]" 2
934 2 51 ILE QG 2 53 ALA H 6.000 . 6.400 4.792 2.910 5.479 . 0 0 "[ . 1 ]" 2
935 2 51 ILE MD 2 53 ALA H 6.000 . 6.400 3.721 2.197 4.536 . 0 0 "[ . 1 ]" 2
936 2 53 ALA H 2 53 ALA MB 3.000 . 3.100 2.344 1.975 2.663 . 0 0 "[ . 1 ]" 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 15
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 7.645
_Distance_constraint_stats_list.Viol_max 0.085
_Distance_constraint_stats_list.Viol_rms 0.0137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0535
_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 14 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 19 LEU 0.213 0.081 8 0 "[ . 1 ]"
1 23 ARG 0.213 0.081 8 0 "[ . 1 ]"
1 37 ILE 0.073 0.073 11 0 "[ . 1 ]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 41 VAL 0.073 0.073 11 0 "[ . 1 ]"
1 42 MET 0.000 0.000 . 0 "[ . 1 ]"
1 45 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 14 TRP 0.000 0.000 . 0 "[ . 1 ]"
2 19 LEU 0.231 0.085 8 0 "[ . 1 ]"
2 23 ARG 0.231 0.085 8 0 "[ . 1 ]"
2 37 ILE 0.071 0.071 11 0 "[ . 1 ]"
2 38 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 40 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 41 VAL 0.071 0.071 11 0 "[ . 1 ]"
2 42 MET 0.000 0.000 . 0 "[ . 1 ]"
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 37 ILE O 1 41 VAL H 2.500 . 2.500 2.354 2.194 2.573 0.073 11 0 "[ . 1 ]" 3
2 2 37 ILE O 2 41 VAL H 2.500 . 2.500 2.355 2.192 2.571 0.071 11 0 "[ . 1 ]" 3
3 1 37 ILE O 1 41 VAL N 3.500 2.500 3.500 3.130 2.986 3.280 . 0 0 "[ . 1 ]" 3
4 2 37 ILE O 2 41 VAL N 3.500 2.500 3.500 3.131 2.993 3.272 . 0 0 "[ . 1 ]" 3
5 1 38 TYR O 1 42 MET H 2.500 . 2.500 2.235 2.168 2.452 . 0 0 "[ . 1 ]" 3
6 2 38 TYR O 2 42 MET H 2.500 . 2.500 2.235 2.163 2.453 . 0 0 "[ . 1 ]" 3
7 1 38 TYR O 1 42 MET N 3.500 2.500 3.500 2.958 2.864 3.105 . 0 0 "[ . 1 ]" 3
8 2 38 TYR O 2 42 MET N 3.500 2.500 3.500 2.958 2.862 3.110 . 0 0 "[ . 1 ]" 3
9 1 19 LEU O 1 23 ARG H 2.500 . 2.500 2.355 2.184 2.581 0.081 8 0 "[ . 1 ]" 3
10 2 19 LEU O 2 23 ARG H 2.500 . 2.500 2.357 2.185 2.585 0.085 8 0 "[ . 1 ]" 3
11 1 19 LEU O 1 23 ARG N 3.500 2.500 3.500 3.316 3.156 3.548 0.048 8 0 "[ . 1 ]" 3
12 2 19 LEU O 2 23 ARG N 3.500 2.500 3.500 3.318 3.156 3.551 0.051 8 0 "[ . 1 ]" 3
13 1 45 PHE QE 2 40 ARG HE 4.300 . 4.300 2.773 2.110 3.361 . 0 0 "[ . 1 ]" 3
14 1 38 TYR QE 2 14 TRP HE3 4.300 . 4.300 3.815 3.716 3.920 . 0 0 "[ . 1 ]" 3
15 1 14 TRP HE3 2 38 TYR QE 4.300 . 4.300 3.823 3.748 3.898 . 0 0 "[ . 1 ]" 3
stop_
save_
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