NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604141 |
2n1s   |
25574 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n1s
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 1104
_Distance_constraint_stats_list.Viol_count 18674
_Distance_constraint_stats_list.Viol_total 2121739.250
_Distance_constraint_stats_list.Viol_max 15.648
_Distance_constraint_stats_list.Viol_rms 3.3058
_Distance_constraint_stats_list.Viol_average_all_restraints 4.8047
_Distance_constraint_stats_list.Viol_average_violations_only 5.6810
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 8399.681 15.648 4 20 [***+**********-*****]
1 2 ALA 10831.513 14.207 5 20 [****+****-**********]
1 3 GLY 7507.526 14.185 18 20 [****-************+**]
1 4 GLN 16969.957 13.440 10 20 [*******-*+**********]
1 5 CYS 4160.540 10.757 11 20 [*******-**+*********]
1 6 TYR 2715.906 12.457 8 20 [*******+***********-]
1 7 ARG 19474.719 15.370 11 20 [*******-**+*********]
1 8 GLY 6092.453 15.020 1 20 [+***-***************]
1 9 ARG 13377.167 15.648 4 20 [***+**-*************]
1 10 CYS 6747.801 13.627 1 20 [+***-***************]
1 11 SER 4014.049 12.597 18 20 [********-********+**]
1 12 GLY 2251.619 14.238 11 20 [*******-**+*********]
1 13 GLY 2016.562 14.732 10 20 [****-****+**********]
1 14 LEU 9486.254 13.046 4 20 [***+****-***********]
1 15 CYS 8757.333 14.249 2 20 [*+**-***************]
1 16 CYS 3597.196 9.725 10 20 [*********+***-******]
1 17 SER 15804.778 11.061 11 20 [**********+********-]
1 18 LYS 15881.166 12.793 5 20 [****+**-************]
1 19 TYR 8495.350 12.313 11 20 [*******-**+*********]
1 20 GLY 2120.404 10.406 11 20 [**********+******-**]
1 21 TYR 6638.857 9.317 6 20 [*****+***-**********]
1 22 CYS 7299.666 9.825 8 20 [****-**+************]
1 23 GLY 3707.717 10.762 14 20 [*************+**-***]
1 24 SER 2861.123 10.801 8 20 [*******+******-*****]
1 25 GLY 4944.305 14.238 5 20 [****+***-***********]
1 26 PRO 3480.002 9.276 9 20 [********+***********]
1 27 ALA 1955.142 7.344 1 20 [+***********-*******]
1 28 TYR 5151.339 12.523 10 20 [*********+*********-]
1 29 CYS 5655.368 13.440 10 20 [*********+*******-**]
1 30 GLY 1726.354 7.641 1 20 [+******************-]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 SER HA 1 28 TYR QB . . 3.890 2.897 2.885 2.917 . 0 0 "[ . 1 . 2]" 1
2 1 10 CYS HA 1 10 CYS QB . . 2.800 2.421 2.375 2.474 . 0 0 "[ . 1 . 2]" 1
3 1 21 TYR HA 1 21 TYR QB . . 2.800 2.356 2.320 2.378 . 0 0 "[ . 1 . 2]" 1
4 1 7 ARG HA 1 7 ARG QB . . 2.770 2.437 2.362 2.469 . 0 0 "[ . 1 . 2]" 1
5 1 10 CYS QB 1 14 LEU H . . 4.200 3.596 3.072 3.851 . 0 0 "[ . 1 . 2]" 1
6 1 27 ALA H 1 28 TYR H . . 2.960 2.507 2.505 2.509 . 0 0 "[ . 1 . 2]" 1
7 1 28 TYR H 1 29 CYS H . . 2.520 1.995 1.987 2.000 . 0 0 "[ . 1 . 2]" 1
8 1 23 GLY QA 1 24 SER H . . 2.650 2.222 2.215 2.228 . 0 0 "[ . 1 . 2]" 1
9 1 9 ARG QB 1 10 CYS H . . 3.990 3.378 2.421 3.651 . 0 0 "[ . 1 . 2]" 1
10 1 24 SER H 1 24 SER QB . . 3.390 2.607 2.601 2.620 . 0 0 "[ . 1 . 2]" 1
11 1 24 SER QB 1 25 GLY H . . 3.020 2.772 2.760 2.778 . 0 0 "[ . 1 . 2]" 1
12 1 28 TYR H 1 28 TYR QB . . 2.860 2.443 2.438 2.452 . 0 0 "[ . 1 . 2]" 1
13 1 24 SER H 1 28 TYR QB . . 4.260 3.566 3.542 3.586 . 0 0 "[ . 1 . 2]" 1
14 1 28 TYR QB 1 29 CYS H . . 2.990 2.632 2.628 2.639 . 0 0 "[ . 1 . 2]" 1
15 1 16 CYS H 1 16 CYS QB . . 2.680 2.283 2.242 2.308 . 0 0 "[ . 1 . 2]" 1
16 1 16 CYS QB 1 17 SER H . . 4.140 3.710 3.671 3.749 . 0 0 "[ . 1 . 2]" 1
17 1 13 GLY H 1 13 GLY QA . . 2.740 2.301 2.191 2.415 . 0 0 "[ . 1 . 2]" 1
18 1 13 GLY QA 1 14 LEU H . . 3.580 2.817 2.753 2.871 . 0 0 "[ . 1 . 2]" 1
19 1 17 SER HA 1 18 LYS H . . 2.770 2.467 2.463 2.471 . 0 0 "[ . 1 . 2]" 1
20 1 17 SER HA 1 19 TYR H . . 4.450 3.970 3.966 3.973 . 0 0 "[ . 1 . 2]" 1
21 1 6 TYR QB 1 9 ARG H . . 5.200 3.724 3.244 4.438 . 0 0 "[ . 1 . 2]" 1
22 1 6 TYR QB 1 8 GLY H . . 5.540 4.688 4.469 4.919 . 0 0 "[ . 1 . 2]" 1
23 1 18 LYS QB 1 19 TYR H . . 4.350 3.278 3.213 3.777 . 0 0 "[ . 1 . 2]" 1
24 1 26 PRO QB 1 27 ALA H . . 4.000 3.389 3.379 3.399 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLN HA 1 21 TYR HA . . 3.270 2.237 1.991 2.491 . 0 0 "[ . 1 . 2]" 1
26 1 14 LEU HA 1 15 CYS H . . 2.620 2.539 2.511 2.569 . 0 0 "[ . 1 . 2]" 1
27 1 14 LEU H 1 14 LEU HA . . 3.140 2.890 2.861 2.920 . 0 0 "[ . 1 . 2]" 1
28 1 21 TYR QB 1 22 CYS H . . 3.020 2.987 2.961 3.016 . 0 0 "[ . 1 . 2]" 1
29 1 21 TYR H 1 21 TYR QB . . 2.900 2.510 2.467 2.577 . 0 0 "[ . 1 . 2]" 1
30 1 15 CYS H 1 23 GLY H . . 3.140 2.572 2.334 2.762 . 0 0 "[ . 1 . 2]" 1
31 1 17 SER H 1 23 GLY H . . 4.790 4.593 4.555 4.665 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLY H 1 4 GLN H . . 3.950 3.980 3.969 4.015 0.065 17 0 "[ . 1 . 2]" 1
33 1 20 GLY QA 1 21 TYR H . . 3.300 2.909 2.906 2.912 . 0 0 "[ . 1 . 2]" 1
34 1 5 CYS H 1 20 GLY QA . . 4.230 3.638 3.546 3.760 . 0 0 "[ . 1 . 2]" 1
35 1 7 ARG H 1 8 GLY H . . 3.520 2.838 2.821 2.874 . 0 0 "[ . 1 . 2]" 1
36 1 3 GLY QA 1 4 GLN H . . 2.830 2.133 2.119 2.137 . 0 0 "[ . 1 . 2]" 1
37 1 5 CYS HA 1 6 TYR H . . 2.680 2.419 2.290 2.634 . 0 0 "[ . 1 . 2]" 1
38 1 6 TYR H 1 9 ARG H . . 3.240 2.533 2.178 2.823 . 0 0 "[ . 1 . 2]" 1
39 1 18 LYS H 1 19 TYR H . . 3.450 2.583 2.582 2.585 . 0 0 "[ . 1 . 2]" 1
40 1 26 PRO HA 1 28 TYR H . . 4.230 3.462 3.456 3.466 . 0 0 "[ . 1 . 2]" 1
41 1 14 LEU HA 1 23 GLY H . . 4.720 4.530 4.303 4.675 . 0 0 "[ . 1 . 2]" 1
42 1 26 PRO HA 1 27 ALA H . . 3.860 3.343 3.340 3.347 . 0 0 "[ . 1 . 2]" 1
43 1 26 PRO HA 1 30 GLY H . . 3.450 2.766 2.737 2.798 . 0 0 "[ . 1 . 2]" 1
44 1 26 PRO HA 1 29 CYS H . . 3.520 3.261 3.240 3.273 . 0 0 "[ . 1 . 2]" 1
45 1 17 SER H 1 21 TYR H . . 3.330 3.315 3.257 3.344 0.014 17 0 "[ . 1 . 2]" 1
46 1 20 GLY H 1 21 TYR H . . 2.860 2.454 2.429 2.490 . 0 0 "[ . 1 . 2]" 1
47 1 19 TYR H 1 20 GLY H . . 2.710 2.330 2.313 2.356 . 0 0 "[ . 1 . 2]" 1
48 1 17 SER H 1 20 GLY H . . 4.230 4.024 3.995 4.061 . 0 0 "[ . 1 . 2]" 1
49 1 15 CYS QB 1 16 CYS H . . 3.050 2.757 2.689 2.862 . 0 0 "[ . 1 . 2]" 1
50 1 25 GLY H 1 25 GLY QA . . 2.550 2.258 2.253 2.261 . 0 0 "[ . 1 . 2]" 1
51 1 22 CYS HA 1 22 CYS QB . . 2.800 2.325 2.300 2.371 . 0 0 "[ . 1 . 2]" 1
52 1 22 CYS QB 1 23 GLY H . . 3.360 2.585 2.484 2.642 . 0 0 "[ . 1 . 2]" 1
53 1 22 CYS H 1 22 CYS QB . . 2.680 2.527 2.423 2.584 . 0 0 "[ . 1 . 2]" 1
54 1 29 CYS H 1 29 CYS QB . . 2.740 2.358 2.340 2.401 . 0 0 "[ . 1 . 2]" 1
55 1 19 TYR H 1 19 TYR QB . . 2.900 2.266 2.251 2.276 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLY QA 1 9 ARG H . . 3.480 2.799 2.756 2.878 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLY H 1 8 GLY QA . . 2.490 2.229 2.210 2.276 . 0 0 "[ . 1 . 2]" 1
58 1 14 LEU QB 1 15 CYS H . . 2.680 2.104 2.055 2.154 . 0 0 "[ . 1 . 2]" 1
59 1 14 LEU H 1 14 LEU QB . . 2.740 2.264 2.214 2.309 . 0 0 "[ . 1 . 2]" 1
60 1 28 TYR HA 1 30 GLY H . . 4.820 4.465 4.450 4.474 . 0 0 "[ . 1 . 2]" 1
61 1 17 SER H 1 28 TYR HA . . 4.760 4.774 4.767 4.783 0.023 19 0 "[ . 1 . 2]" 1
62 1 28 TYR HA 1 29 CYS H . . 3.860 3.531 3.529 3.532 . 0 0 "[ . 1 . 2]" 1
63 1 1 ALA H1 1 1 ALA HA . . 5.040 2.796 2.731 2.836 . 0 0 "[ . 1 . 2]" 1
64 1 1 ALA HA 1 2 ALA H . . 4.480 2.816 2.141 3.572 . 0 0 "[ . 1 . 2]" 1
65 1 16 CYS HA 1 22 CYS HA . . 3.020 2.411 2.325 2.485 . 0 0 "[ . 1 . 2]" 1
66 1 17 SER H 1 19 TYR H . . 3.500 4.417 4.410 4.422 0.922 17 20 [****************+**-] 1
67 1 17 SER QB 1 18 LYS H . . 2.900 2.417 2.407 2.425 . 0 0 "[ . 1 . 2]" 1
68 1 17 SER QB 1 21 TYR H . . 4.140 3.525 3.516 3.538 . 0 0 "[ . 1 . 2]" 1
69 1 17 SER QB 1 19 TYR H . . 3.360 2.920 2.917 2.925 . 0 0 "[ . 1 . 2]" 1
70 1 17 SER H 1 17 SER QB . . 2.800 2.413 2.409 2.418 . 0 0 "[ . 1 . 2]" 1
71 1 18 LYS H 1 18 LYS QB . . 3.110 2.315 2.171 2.607 . 0 0 "[ . 1 . 2]" 1
72 1 12 GLY QA 1 14 LEU H . . 5.360 3.668 3.399 3.869 . 0 0 "[ . 1 . 2]" 1
73 1 4 GLN HA 1 22 CYS H . . 3.520 3.342 2.676 3.531 0.011 20 0 "[ . 1 . 2]" 1
74 1 4 GLN HA 1 5 CYS H . . 2.590 2.234 2.191 2.471 . 0 0 "[ . 1 . 2]" 1
75 1 29 CYS QB 1 30 GLY H . . 4.110 2.939 2.929 2.945 . 0 0 "[ . 1 . 2]" 1
76 1 29 CYS H 1 30 GLY H . . 3.080 2.181 2.177 2.193 . 0 0 "[ . 1 . 2]" 1
77 1 7 ARG H 1 7 ARG HA . . 2.740 2.284 2.283 2.286 . 0 0 "[ . 1 . 2]" 1
78 1 7 ARG HA 1 8 GLY H . . 2.860 2.858 2.787 2.892 0.032 19 0 "[ . 1 . 2]" 1
79 1 5 CYS QB 1 6 TYR H . . 2.800 2.416 1.997 2.683 . 0 0 "[ . 1 . 2]" 1
80 1 5 CYS QB 1 9 ARG H . . 3.360 2.733 2.432 3.031 . 0 0 "[ . 1 . 2]" 1
81 1 5 CYS H 1 5 CYS QB . . 3.080 2.551 2.481 2.588 . 0 0 "[ . 1 . 2]" 1
82 1 5 CYS QB 1 8 GLY H . . 3.610 3.216 3.027 3.297 . 0 0 "[ . 1 . 2]" 1
83 1 29 CYS HA 1 30 GLY H . . 4.040 3.456 3.455 3.458 . 0 0 "[ . 1 . 2]" 1
84 1 29 CYS H 1 29 CYS HA . . 3.140 2.921 2.919 2.922 . 0 0 "[ . 1 . 2]" 1
85 1 13 GLY H 1 14 LEU H . . 3.050 2.566 2.243 2.806 . 0 0 "[ . 1 . 2]" 1
86 1 6 TYR HA 1 7 ARG H . . 3.250 2.153 2.138 2.222 . 0 0 "[ . 1 . 2]" 1
87 1 18 LYS HA 1 19 TYR H . . 3.760 3.346 3.345 3.348 . 0 0 "[ . 1 . 2]" 1
88 1 5 CYS HA 1 5 CYS QB . . 2.680 2.323 2.303 2.353 . 0 0 "[ . 1 . 2]" 1
89 1 14 LEU H 1 15 CYS H . . 5.000 4.543 4.525 4.565 . 0 0 "[ . 1 . 2]" 1
90 1 21 TYR HA 1 22 CYS H . . 2.550 2.187 2.180 2.194 . 0 0 "[ . 1 . 2]" 1
91 1 5 CYS H 1 21 TYR HA . . 3.140 3.146 3.089 3.162 0.022 9 0 "[ . 1 . 2]" 1
92 1 15 CYS H 1 15 CYS QB . . 2.830 2.512 2.397 2.661 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLY H 1 9 ARG H . . 3.330 2.450 2.218 2.570 . 0 0 "[ . 1 . 2]" 1
94 1 4 GLN H 1 5 CYS H . . 4.450 4.569 4.548 4.614 0.164 20 0 "[ . 1 . 2]" 1
95 1 5 CYS H 1 22 CYS H . . 3.980 3.865 3.757 3.979 . 0 0 "[ . 1 . 2]" 1
96 1 16 CYS HA 1 17 SER H . . 2.460 2.149 2.146 2.152 . 0 0 "[ . 1 . 2]" 1
97 1 19 TYR QB 1 21 TYR H . . 4.200 3.096 3.078 3.128 . 0 0 "[ . 1 . 2]" 1
98 1 19 TYR QB 1 20 GLY H . . 3.830 3.468 3.445 3.504 . 0 0 "[ . 1 . 2]" 1
99 1 15 CYS HA 1 16 CYS H . . 2.550 2.262 2.223 2.287 . 0 0 "[ . 1 . 2]" 1
100 1 4 GLN H 1 4 GLN QB . . 2.770 2.349 2.199 2.565 . 0 0 "[ . 1 . 2]" 1
101 1 4 GLN QB 1 5 CYS H . . 3.420 3.092 2.313 3.601 0.181 18 0 "[ . 1 . 2]" 1
102 1 22 CYS HA 1 23 GLY H . . 2.460 2.333 2.314 2.370 . 0 0 "[ . 1 . 2]" 1
103 1 15 CYS H 1 22 CYS HA . . 5.220 4.296 4.052 4.492 . 0 0 "[ . 1 . 2]" 1
104 1 17 SER H 1 22 CYS HA . . 3.980 3.046 2.996 3.085 . 0 0 "[ . 1 . 2]" 1
105 1 15 CYS H 1 24 SER HA . . 3.980 3.748 3.648 3.858 . 0 0 "[ . 1 . 2]" 1
106 1 24 SER HA 1 25 GLY H . . 2.650 2.697 2.695 2.702 0.052 17 0 "[ . 1 . 2]" 1
107 1 19 TYR HA 1 20 GLY H . . 3.700 3.219 3.194 3.234 . 0 0 "[ . 1 . 2]" 1
108 1 10 CYS QB 1 14 LEU QB . . 2.650 2.382 2.083 2.501 . 0 0 "[ . 1 . 2]" 1
109 1 7 ARG HA 1 7 ARG QG . . 3.240 2.338 2.203 2.838 . 0 0 "[ . 1 . 2]" 1
110 1 26 PRO QG 1 27 ALA H . . 4.790 3.090 3.075 3.106 . 0 0 "[ . 1 . 2]" 1
111 1 10 CYS QB 1 15 CYS H . . 5.500 4.105 3.785 4.364 . 0 0 "[ . 1 . 2]" 1
112 1 14 LEU H 1 14 LEU HG . . 2.930 2.865 2.748 2.943 0.013 16 0 "[ . 1 . 2]" 1
113 1 4 GLN H 1 4 GLN QG . . 3.760 3.183 2.354 4.052 0.292 19 0 "[ . 1 . 2]" 1
114 1 17 SER QB 1 28 TYR QD . . 5.520 2.624 2.602 2.640 . 0 0 "[ . 1 . 2]" 1
115 1 15 CYS H 1 24 SER QB . . 5.500 4.821 4.738 4.939 . 0 0 "[ . 1 . 2]" 1
116 1 23 GLY H 1 28 TYR QB . . 3.890 3.705 3.619 3.778 . 0 0 "[ . 1 . 2]" 1
117 1 15 CYS H 1 28 TYR QB . . 4.820 3.771 3.676 3.834 . 0 0 "[ . 1 . 2]" 1
118 1 18 LYS H 1 18 LYS QE . . 6.380 4.763 3.237 5.708 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU QB 1 22 CYS QB . . 3.700 2.412 2.328 2.500 . 0 0 "[ . 1 . 2]" 1
120 1 23 GLY QA 1 28 TYR QD . . 7.010 2.444 2.410 2.476 . 0 0 "[ . 1 . 2]" 1
121 1 23 GLY H 1 28 TYR QD . . 6.730 2.741 2.685 2.818 . 0 0 "[ . 1 . 2]" 1
122 1 22 CYS H 1 28 TYR QD . . 7.630 5.426 5.344 5.487 . 0 0 "[ . 1 . 2]" 1
123 1 18 LYS H 1 28 TYR QD . . 7.630 5.438 5.383 5.500 . 0 0 "[ . 1 . 2]" 1
124 1 16 CYS H 1 28 TYR QD . . 7.630 5.481 5.414 5.511 . 0 0 "[ . 1 . 2]" 1
125 1 4 GLN HA 1 21 TYR QD . . 7.350 2.857 2.091 3.956 . 0 0 "[ . 1 . 2]" 1
126 1 17 SER HG 1 28 TYR QD . . 7.630 4.365 4.351 4.373 . 0 0 "[ . 1 . 2]" 1
127 1 15 CYS H 1 28 TYR QD . . 7.630 4.307 4.138 4.415 . 0 0 "[ . 1 . 2]" 1
128 1 24 SER H 1 28 TYR QD . . 7.010 3.676 3.653 3.705 . 0 0 "[ . 1 . 2]" 1
129 1 25 GLY QA 1 26 PRO QD . . 2.520 2.019 2.018 2.021 . 0 0 "[ . 1 . 2]" 1
130 1 17 SER H 1 28 TYR QD . . 6.610 3.629 3.583 3.661 . 0 0 "[ . 1 . 2]" 1
131 1 25 GLY H 1 28 TYR QD . . 7.630 5.297 5.284 5.309 . 0 0 "[ . 1 . 2]" 1
132 1 28 TYR QD 1 29 CYS H . . 7.630 4.223 4.214 4.228 . 0 0 "[ . 1 . 2]" 1
133 1 15 CYS QB 1 29 CYS HA . . 2.930 2.307 2.235 2.356 . 0 0 "[ . 1 . 2]" 1
134 1 18 LYS H 1 19 TYR QD . . 7.630 4.223 3.810 4.771 . 0 0 "[ . 1 . 2]" 1
135 1 17 SER HG 1 19 TYR QD . . 7.630 4.714 4.601 4.880 . 0 0 "[ . 1 . 2]" 1
136 1 4 GLN H 1 21 TYR QD . . 7.630 4.160 3.405 4.888 . 0 0 "[ . 1 . 2]" 1
137 1 21 TYR QD 1 22 CYS H . . 7.630 4.010 3.791 4.242 . 0 0 "[ . 1 . 2]" 1
138 1 17 SER HG 1 21 TYR QD . . 7.630 3.348 3.182 3.615 . 0 0 "[ . 1 . 2]" 1
139 1 19 TYR QB 1 21 TYR QD . . 6.510 2.187 1.929 2.576 . 0 0 "[ . 1 . 2]" 1
140 1 19 TYR H 1 21 TYR QD . . 7.630 4.324 3.866 4.871 . 0 0 "[ . 1 . 2]" 1
141 1 17 SER HG 1 21 TYR H . . 4.790 1.895 1.887 1.904 . 0 0 "[ . 1 . 2]" 1
142 1 7 ARG H 1 7 ARG QG . . 4.290 3.637 2.495 4.043 . 0 0 "[ . 1 . 2]" 1
143 1 17 SER HG 1 19 TYR H . . 3.830 3.072 3.067 3.076 . 0 0 "[ . 1 . 2]" 1
144 1 17 SER H 1 17 SER HG . . 5.500 2.848 2.837 2.867 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU QB 1 23 GLY H . . 3.330 2.532 2.339 2.677 . 0 0 "[ . 1 . 2]" 1
146 1 6 TYR QD 1 7 ARG H . . 7.630 3.880 3.190 4.568 . 0 0 "[ . 1 . 2]" 1
147 1 23 GLY QA 1 28 TYR QE . . 7.390 2.536 2.501 2.590 . 0 0 "[ . 1 . 2]" 1
148 1 21 TYR QB 1 28 TYR QE . . 6.180 3.372 3.332 3.434 . 0 0 "[ . 1 . 2]" 1
149 1 23 GLY H 1 28 TYR QE . . 7.630 4.157 4.140 4.185 . 0 0 "[ . 1 . 2]" 1
150 1 22 CYS H 1 28 TYR QE . . 7.630 4.920 4.851 5.000 . 0 0 "[ . 1 . 2]" 1
151 1 17 SER H 1 28 TYR QE . . 7.630 4.377 4.328 4.425 . 0 0 "[ . 1 . 2]" 1
152 1 17 SER HG 1 21 TYR QB . . 3.500 1.981 1.973 1.989 . 0 0 "[ . 1 . 2]" 1
153 1 4 GLN HA 1 4 GLN QG . . 4.010 2.379 2.182 2.512 . 0 0 "[ . 1 . 2]" 1
154 1 22 CYS HA 1 28 TYR QD . . 7.630 3.455 3.345 3.538 . 0 0 "[ . 1 . 2]" 1
155 1 18 LYS H 1 18 LYS QG . . 3.670 3.181 2.059 3.977 0.307 7 0 "[ . 1 . 2]" 1
156 1 18 LYS QG 1 19 TYR H . . 5.500 4.170 2.682 4.525 . 0 0 "[ . 1 . 2]" 1
157 1 26 PRO QD 1 27 ALA H . . 4.290 2.267 2.261 2.273 . 0 0 "[ . 1 . 2]" 1
158 1 19 TYR QB 1 21 TYR QE . . 7.630 2.556 2.375 3.022 . 0 0 "[ . 1 . 2]" 1
159 1 15 CYS QB 1 23 GLY H . . 5.190 3.860 3.793 3.900 . 0 0 "[ . 1 . 2]" 1
160 1 15 CYS QB 1 29 CYS H . . 5.160 3.481 3.431 3.509 . 0 0 "[ . 1 . 2]" 1
161 1 15 CYS QB 1 24 SER HA . . 5.500 3.366 3.279 3.530 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU QD 1 22 CYS QB . . 4.690 2.421 2.243 2.589 . 0 0 "[ . 1 . 2]" 1
163 1 10 CYS QB 1 14 LEU QD . . 6.520 3.318 3.034 3.545 . 0 0 "[ . 1 . 2]" 1
164 1 27 ALA MB 1 28 TYR H . . 5.030 3.238 3.225 3.249 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU QD 1 23 GLY H . . 6.520 2.986 2.930 3.106 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU QD 1 22 CYS H . . 6.520 4.906 4.838 5.007 . 0 0 "[ . 1 . 2]" 1
167 1 14 LEU QD 1 15 CYS H . . 5.740 2.798 2.631 2.961 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU QD 1 23 GLY QA . . 4.780 2.367 2.205 2.617 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU QD 1 22 CYS HA . . 6.520 4.199 4.075 4.309 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU QD 1 24 SER QB . . 4.750 2.796 2.506 2.949 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU HA 1 14 LEU QD . . 3.950 2.043 1.962 2.165 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU QD 1 24 SER H . . 5.680 3.721 3.455 3.897 . 0 0 "[ . 1 . 2]" 1
173 1 1 ALA H1 1 1 ALA MB . . 6.520 2.580 2.117 2.962 . 0 0 "[ . 1 . 2]" 1
174 1 27 ALA MB 1 28 TYR QE . . 7.940 2.961 2.851 3.057 . 0 0 "[ . 1 . 2]" 1
175 1 27 ALA MB 1 28 TYR QD . . 7.280 2.321 2.222 2.479 . 0 0 "[ . 1 . 2]" 1
176 1 1 ALA H1 1 2 ALA HA . . 3.500 4.935 4.040 5.808 2.308 4 20 [***+*******-********] 1
177 1 1 ALA H1 1 3 GLY QA . . 3.500 6.142 4.158 7.989 4.489 14 20 [****-********+******] 1
178 1 1 ALA H1 1 4 GLN HA . . 3.500 9.295 6.170 11.441 7.941 11 20 [*********-+*********] 1
179 1 1 ALA H1 1 4 GLN QB . . 3.500 9.334 6.777 11.770 8.270 14 20 [*********-***+******] 1
180 1 1 ALA H1 1 4 GLN QG . . 3.500 9.006 4.779 11.626 8.126 11 20 [*********-+*********] 1
181 1 1 ALA H1 1 5 CYS HA . . 3.500 11.374 6.775 14.106 10.606 11 20 [**********+*******-*] 1
182 1 1 ALA H1 1 5 CYS QB . . 3.500 11.623 7.668 14.257 10.757 11 20 [**********+*******-*] 1
183 1 1 ALA H1 1 7 ARG H . . 3.500 16.340 11.664 18.870 15.370 11 20 [**********+********-] 1
184 1 1 ALA H1 1 8 GLY QA . . 3.500 15.151 11.029 17.923 14.423 2 20 [*+****************-*] 1
185 1 1 ALA H1 1 9 ARG QB . . 3.500 14.875 9.703 18.172 14.672 11 20 [**********+********-] 1
186 1 1 ALA H1 1 9 ARG QG . . 3.500 15.550 10.547 19.148 15.648 4 20 [***+************-***] 1
187 1 1 ALA H1 1 10 CYS HA . . 3.500 12.230 6.511 15.527 12.027 4 20 [***+**************-*] 1
188 1 1 ALA H1 1 10 CYS QB . . 3.500 10.520 4.672 13.446 9.946 2 20 [*+****************-*] 1
189 1 1 ALA H1 1 11 SER QB . . 3.500 10.606 4.489 16.097 12.597 18 20 [****************-+**] 1
190 1 1 ALA H1 1 14 LEU H . . 3.500 12.889 6.604 16.546 13.046 4 20 [***+**************-*] 1
191 1 1 ALA H1 1 15 CYS HA . . 3.500 13.832 7.600 17.749 14.249 2 20 [*+****************-*] 1
192 1 1 ALA H1 1 17 SER H . . 3.500 11.366 7.318 14.561 11.061 11 20 [**********+*******-*] 1
193 1 1 ALA H1 1 17 SER QB . . 3.500 9.998 6.241 12.760 9.260 11 20 [**********+****-****] 1
194 1 1 ALA H1 1 17 SER HG . . 3.500 10.243 6.299 13.137 9.637 11 20 [**********+****-****] 1
195 1 1 ALA H1 1 19 TYR H . . 3.500 12.827 9.278 15.813 12.313 11 20 [**********+****-****] 1
196 1 1 ALA H1 1 19 TYR QB . . 3.500 10.304 6.946 13.295 9.795 20 20 [*********-*********+] 1
197 1 1 ALA H1 1 20 GLY QA . . 3.500 11.357 8.351 13.906 10.406 11 20 [*********-+*********] 1
198 1 1 ALA H1 1 21 TYR HA . . 3.500 8.873 5.586 11.404 7.904 11 20 [**********+****-****] 1
199 1 1 ALA H1 1 22 CYS HA . . 3.500 9.738 4.419 12.940 9.440 2 20 [*+****************-*] 1
200 1 1 ALA H1 1 23 GLY QA . . 3.500 7.443 3.408 10.588 7.088 2 14 "[*+****** *** . -* *]" 1
201 1 1 ALA HA 1 3 GLY H . . 3.500 4.844 3.810 5.993 2.493 16 18 "[*** *****-*****+* **]" 1
202 1 1 ALA HA 1 4 GLN H . . 3.500 8.073 6.216 9.606 6.106 1 20 [+******************-] 1
203 1 1 ALA HA 1 4 GLN QB . . 3.500 8.928 6.770 10.752 7.252 1 20 [+******************-] 1
204 1 1 ALA HA 1 4 GLN QE . . 3.500 9.824 5.508 12.735 9.235 5 20 [****+******-********] 1
205 1 1 ALA HA 1 5 CYS QB . . 3.500 11.089 6.384 13.642 10.142 1 20 [+******************-] 1
206 1 1 ALA HA 1 6 TYR H . . 3.500 12.904 6.137 15.957 12.457 8 20 [*******+***********-] 1
207 1 1 ALA HA 1 7 ARG H . . 3.500 15.807 9.554 18.543 15.043 1 20 [+******************-] 1
208 1 1 ALA HA 1 8 GLY H . . 3.500 15.574 9.703 18.520 15.020 1 20 [+******************-] 1
209 1 1 ALA HA 1 9 ARG H . . 3.500 14.844 8.187 17.964 14.464 1 20 [+******************-] 1
210 1 1 ALA HA 1 9 ARG QB . . 3.500 14.410 7.482 17.599 14.099 1 20 [+******************-] 1
211 1 1 ALA HA 1 10 CYS H . . 3.500 13.818 7.407 17.127 13.627 1 20 [+******************-] 1
212 1 1 ALA HA 1 10 CYS QB . . 3.500 9.978 4.625 12.964 9.464 8 20 [*******+********-***] 1
213 1 1 ALA HA 1 11 SER H . . 3.500 10.843 3.494 14.390 10.890 1 19 "[+*************** **-]" 1
214 1 1 ALA HA 1 12 GLY H . . 3.500 13.881 6.491 17.738 14.238 11 20 [**********+*****-***] 1
215 1 1 ALA HA 1 13 GLY H . . 3.500 14.410 7.748 18.232 14.732 10 20 [*********+******-***] 1
216 1 1 ALA HA 1 15 CYS QB . . 3.500 11.744 7.278 14.390 10.890 5 20 [****+********-******] 1
217 1 1 ALA HA 1 17 SER HG . . 3.500 9.759 7.086 12.132 8.632 5 20 [****+*********-*****] 1
218 1 1 ALA HA 1 18 LYS H . . 3.500 13.576 10.547 16.293 12.793 5 20 [****+*******-*******] 1
219 1 1 ALA HA 1 19 TYR H . . 3.500 12.377 10.114 14.825 11.325 5 20 [****+*********-*****] 1
220 1 1 ALA HA 1 21 TYR H . . 3.500 10.168 8.096 12.402 8.902 5 20 [****+*********-*****] 1
221 1 1 ALA HA 1 21 TYR QB . . 3.500 6.684 5.066 8.285 4.785 5 20 [****+*********-*****] 1
222 1 1 ALA HA 1 22 CYS H . . 3.500 7.634 4.911 9.782 6.282 1 20 [+*************-*****] 1
223 1 1 ALA HA 1 22 CYS HA . . 3.500 9.113 5.066 11.753 8.253 3 20 [**+***********-*****] 1
224 1 1 ALA HA 1 28 TYR QB . . 3.500 10.730 6.382 13.307 9.807 5 20 [****+*******-*******] 1
225 1 1 ALA MB 1 3 GLY H . . 3.500 4.521 3.559 5.504 2.004 19 15 "[ -*** ** *******+*]" 1
226 1 1 ALA MB 1 8 GLY H . . 3.500 13.516 9.746 15.645 12.145 6 20 [*****+*************-] 1
227 1 1 ALA MB 1 17 SER H . . 3.500 9.381 6.105 11.733 8.233 12 20 [***********+-*******] 1
228 1 1 ALA MB 1 18 LYS H . . 3.500 11.562 8.190 14.016 10.516 12 20 [***********+-*******] 1
229 1 1 ALA MB 1 19 TYR H . . 3.500 10.583 7.657 12.874 9.374 12 20 [***********+-*******] 1
230 1 1 ALA MB 1 24 SER H . . 3.500 8.062 3.577 11.095 7.595 2 16 "[*+****** *** - ****]" 1
231 1 1 ALA MB 1 25 GLY H . . 3.500 11.480 6.952 14.717 11.217 2 20 [*+****************-*] 1
232 1 2 ALA H 1 3 GLY QA . . 3.500 4.105 3.577 4.570 1.070 9 10 "[ * * +*-** ** *]" 1
233 1 2 ALA H 1 4 GLN HA . . 3.500 7.009 6.210 7.830 4.330 20 20 [****************-**+] 1
234 1 2 ALA H 1 4 GLN QB . . 3.500 7.458 6.357 8.233 4.733 16 20 [***************+*-**] 1
235 1 2 ALA H 1 4 GLN QG . . 3.500 7.244 5.701 8.888 5.388 5 20 [***-+***************] 1
236 1 2 ALA H 1 4 GLN QE . . 3.500 8.762 5.035 11.012 7.512 20 20 [***********-*******+] 1
237 1 2 ALA H 1 5 CYS HA . . 3.500 9.058 6.084 10.763 7.263 5 20 [****+***********-***] 1
238 1 2 ALA H 1 5 CYS QB . . 3.500 9.649 7.554 11.034 7.534 5 20 [****+***********-***] 1
239 1 2 ALA H 1 7 ARG H . . 3.500 14.219 11.422 15.504 12.004 5 20 [****+***********-***] 1
240 1 2 ALA H 1 7 ARG HA . . 3.500 16.105 13.393 17.406 13.906 5 20 [****+***********-***] 1
241 1 2 ALA H 1 7 ARG QB . . 3.500 14.894 11.876 16.394 12.894 5 20 [****+***********-***] 1
242 1 2 ALA H 1 7 ARG QG . . 3.500 16.050 13.676 17.707 14.207 5 20 [****+***********-***] 1
243 1 2 ALA H 1 8 GLY QA . . 3.500 13.245 11.019 15.004 11.504 5 20 [****+***********-***] 1
244 1 2 ALA H 1 9 ARG QB . . 3.500 13.053 10.008 15.172 11.672 11 20 [**********+*****-***] 1
245 1 2 ALA H 1 9 ARG QD . . 3.500 14.476 11.003 16.706 13.206 5 20 [****+***********-***] 1
246 1 2 ALA H 1 10 CYS HA . . 3.500 10.056 6.341 12.273 8.773 12 20 [***********+****-***] 1
247 1 2 ALA H 1 10 CYS QB . . 3.500 8.644 5.486 10.647 7.147 12 20 [********-**+********] 1
248 1 2 ALA H 1 11 SER QB . . 3.500 8.988 4.754 12.794 9.294 18 20 [****************-+**] 1
249 1 2 ALA H 1 12 GLY QA . . 3.500 11.561 5.980 15.599 12.099 12 20 [********-**+********] 1
250 1 2 ALA H 1 14 LEU H . . 3.500 11.267 6.619 13.825 10.325 12 20 [********-**+********] 1
251 1 2 ALA H 1 14 LEU HA . . 3.500 10.920 6.980 13.165 9.665 6 20 [*****+**-***********] 1
252 1 2 ALA H 1 14 LEU QB . . 3.500 7.938 4.374 9.887 6.387 12 20 [********-**+********] 1
253 1 2 ALA H 1 14 LEU HG . . 3.500 9.459 4.938 11.710 8.210 8 20 [*******+-***********] 1
254 1 2 ALA H 1 15 CYS H . . 3.500 10.130 6.772 12.195 8.695 6 20 [*****+********-*****] 1
255 1 2 ALA H 1 15 CYS HA . . 3.500 12.081 9.053 14.054 10.554 6 20 [*****+******-*******] 1
256 1 2 ALA H 1 16 CYS HA . . 3.500 9.774 7.590 11.255 7.755 6 20 [*****+******-*******] 1
257 1 2 ALA H 1 17 SER H . . 3.500 9.463 7.805 10.707 7.207 1 20 [+***********-*******] 1
258 1 2 ALA H 1 17 SER HA . . 3.500 11.527 9.932 13.074 9.574 20 20 [************-******+] 1
259 1 2 ALA H 1 17 SER QB . . 3.500 8.613 7.297 10.518 7.018 20 20 [*************-*****+] 1
260 1 2 ALA H 1 17 SER HG . . 3.500 8.512 7.377 10.829 7.329 20 20 [*********-*********+] 1
261 1 2 ALA H 1 19 TYR H . . 3.500 11.277 9.940 13.739 10.239 20 20 [*********-*********+] 1
262 1 2 ALA H 1 19 TYR QB . . 3.500 9.063 7.421 11.898 8.398 20 20 [*********-*********+] 1
263 1 2 ALA H 1 20 GLY QA . . 3.500 9.612 8.977 10.756 7.256 20 20 [******************-+] 1
264 1 2 ALA H 1 21 TYR H . . 3.500 8.777 7.733 10.797 7.297 20 20 [*********-*********+] 1
265 1 2 ALA H 1 21 TYR HA . . 3.500 6.638 5.716 8.051 4.551 20 20 [******************-+] 1
266 1 2 ALA H 1 21 TYR QB . . 3.500 5.287 4.014 7.757 4.257 20 20 [*********-*********+] 1
267 1 2 ALA H 1 21 TYR QD . . 3.500 5.696 3.543 7.981 4.481 20 17 "[*** ** ***-*******+]" 1
268 1 2 ALA H 1 22 CYS HA . . 3.500 7.644 5.240 9.161 5.661 6 20 [*****+******-*******] 1
269 1 2 ALA H 1 23 GLY QA . . 3.500 6.286 3.660 7.726 4.226 6 17 "[*****+****** -. ****]" 1
270 1 2 ALA H 1 24 SER HA . . 3.500 11.202 8.189 12.969 9.469 6 20 [*****+******-*******] 1
271 1 2 ALA H 1 28 TYR HA . . 3.500 12.246 10.221 13.636 10.136 20 20 [************-******+] 1
272 1 2 ALA H 1 28 TYR QB . . 3.500 9.995 7.727 11.395 7.895 6 20 [*****+******-*******] 1
273 1 2 ALA H 1 28 TYR QE . . 3.500 7.223 5.599 9.396 5.896 20 20 [*************-*****+] 1
274 1 2 ALA HA 1 3 GLY H . . 3.500 3.553 3.467 3.576 0.076 19 0 "[ . 1 . 2]" 1
275 1 2 ALA HA 1 4 GLN QB . . 3.500 8.354 7.772 8.672 5.172 13 20 [************+***-***] 1
276 1 2 ALA HA 1 4 GLN QE . . 3.500 9.811 6.477 11.595 8.095 2 20 [*+*********-********] 1
277 1 2 ALA HA 1 5 CYS H . . 3.500 9.297 7.797 10.045 6.545 9 20 [********+**********-] 1
278 1 2 ALA HA 1 5 CYS QB . . 3.500 10.118 8.031 10.604 7.104 9 20 [********+**********-] 1
279 1 2 ALA HA 1 6 TYR H . . 3.500 11.667 9.213 12.665 9.165 18 20 [*****************+*-] 1
280 1 2 ALA HA 1 7 ARG H . . 3.500 14.913 12.932 15.639 12.139 18 20 [*****************+*-] 1
281 1 2 ALA HA 1 7 ARG QB . . 3.500 15.400 13.096 16.303 12.803 8 20 [*******+***********-] 1
282 1 2 ALA HA 1 7 ARG QG . . 3.500 16.639 14.865 17.600 14.100 18 20 [*****************+*-] 1
283 1 2 ALA HA 1 8 GLY H . . 3.500 14.580 12.374 15.234 11.734 4 20 [***+***************-] 1
284 1 2 ALA HA 1 9 ARG H . . 3.500 13.664 10.967 14.486 10.986 4 20 [***+***************-] 1
285 1 2 ALA HA 1 9 ARG QB . . 3.500 13.257 10.402 14.457 10.957 10 20 [*********+*********-] 1
286 1 2 ALA HA 1 9 ARG QD . . 3.500 14.598 12.480 16.265 12.765 18 20 [****************-+**] 1
287 1 2 ALA HA 1 10 CYS H . . 3.500 12.335 9.348 13.348 9.848 18 20 [*****************+*-] 1
288 1 2 ALA HA 1 10 CYS QB . . 3.500 8.438 5.658 9.474 5.974 18 20 [*****************+*-] 1
289 1 2 ALA HA 1 12 GLY H . . 3.500 11.984 8.964 14.627 11.127 10 20 [********-+**********] 1
290 1 2 ALA HA 1 13 GLY H . . 3.500 12.502 9.844 14.465 10.965 10 20 [*********+******-***] 1
291 1 2 ALA HA 1 14 LEU H . . 3.500 10.557 7.841 11.960 8.460 10 20 [*********+*********-] 1
292 1 2 ALA HA 1 14 LEU QB . . 3.500 7.385 4.861 8.336 4.836 10 20 [*********+*********-] 1
293 1 2 ALA HA 1 14 LEU HG . . 3.500 8.464 5.659 9.598 6.098 10 20 [*********+*********-] 1
294 1 2 ALA HA 1 15 CYS H . . 3.500 9.564 6.937 10.270 6.770 4 20 [***+***************-] 1
295 1 2 ALA HA 1 15 CYS QB . . 3.500 10.502 8.560 11.206 7.706 19 20 [****************-*+*] 1
296 1 2 ALA HA 1 16 CYS H . . 3.500 12.054 9.524 12.624 9.124 9 20 [********+**********-] 1
297 1 2 ALA HA 1 17 SER HG . . 3.500 8.941 7.894 10.957 7.457 9 20 [********+*******-***] 1
298 1 2 ALA HA 1 19 TYR QB . . 3.500 9.823 8.796 11.915 8.415 9 20 [-*******+***********] 1
299 1 2 ALA HA 1 21 TYR H . . 3.500 9.449 8.431 11.293 7.793 9 20 [********+*******-***] 1
300 1 2 ALA HA 1 21 TYR QB . . 3.500 5.760 4.810 7.728 4.228 9 20 [-*******+***********] 1
301 1 2 ALA HA 1 22 CYS H . . 3.500 6.073 4.436 7.127 3.627 9 20 [********+*******-***] 1
302 1 2 ALA HA 1 22 CYS HA . . 3.500 7.599 5.486 8.433 4.933 9 20 [********+*******-***] 1
303 1 2 ALA HA 1 22 CYS QB . . 3.500 5.226 2.748 5.899 2.399 18 18 "[***************- +*2]" 1
304 1 2 ALA HA 1 23 GLY H . . 3.500 7.493 5.204 8.224 4.724 9 20 [********+*******-***] 1
305 1 2 ALA HA 1 25 GLY H . . 3.500 12.342 10.811 13.331 9.831 19 20 [****************-*+*] 1
306 1 2 ALA HA 1 28 TYR QB . . 3.500 9.627 8.030 10.784 7.284 9 20 [********+*******-***] 1
307 1 2 ALA MB 1 4 GLN H . . 3.500 5.383 5.012 5.987 2.487 20 20 [***************-***+] 1
308 1 2 ALA MB 1 4 GLN HA . . 3.500 5.722 5.106 6.996 3.496 20 20 [-******************+] 1
309 1 2 ALA MB 1 5 CYS HA . . 3.500 7.144 5.865 7.694 4.194 17 20 [***************-+***] 1
310 1 2 ALA MB 1 8 GLY H . . 3.500 11.259 10.280 12.148 8.648 17 20 [***************-+***] 1
311 1 2 ALA MB 1 15 CYS HA . . 3.500 9.173 8.381 9.885 6.385 17 20 [***************-+***] 1
312 1 2 ALA MB 1 17 SER QB . . 3.500 6.487 5.304 8.768 5.268 9 20 [********+********-**] 1
313 1 2 ALA MB 1 17 SER HG . . 3.500 6.454 5.060 9.172 5.672 9 20 [********+*-*********] 1
314 1 2 ALA MB 1 18 LYS H . . 3.500 9.822 8.476 12.381 8.881 9 20 [********+********-**] 1
315 1 2 ALA MB 1 19 TYR H . . 3.500 8.883 7.419 11.645 8.145 9 20 [-*******+***********] 1
316 1 2 ALA MB 1 25 GLY H . . 3.500 10.072 9.076 11.445 7.945 19 20 [*********-********+*] 1
317 1 3 GLY H 1 4 GLN QB . . 3.500 5.488 4.936 5.826 2.326 16 20 [*-*************+****] 1
318 1 3 GLY H 1 4 GLN QG . . 3.500 5.408 4.099 7.060 3.560 17 20 [-***************+***] 1
319 1 3 GLY H 1 4 GLN QE . . 3.500 7.090 3.267 9.120 5.620 20 19 "[-********** *******+]" 1
320 1 3 GLY H 1 5 CYS H . . 3.500 6.533 6.006 6.938 3.438 17 20 [************-***+***] 1
321 1 3 GLY H 1 5 CYS QB . . 3.500 7.968 7.085 8.549 5.049 5 20 [****+*******-*******] 1
322 1 3 GLY H 1 6 TYR QD . . 3.500 9.558 7.261 11.134 7.634 7 20 [******+*******-*****] 1
323 1 3 GLY H 1 7 ARG H . . 3.500 12.093 11.079 12.747 9.247 18 20 [*************-***+**] 1
324 1 3 GLY H 1 7 ARG HA . . 3.500 14.027 13.043 14.672 11.172 2 20 [*+***********-******] 1
325 1 3 GLY H 1 7 ARG QB . . 3.500 13.107 11.881 14.040 10.540 8 20 [*******+******-*****] 1
326 1 3 GLY H 1 7 ARG QG . . 3.500 14.231 12.968 15.131 11.631 1 20 [+*******-***********] 1
327 1 3 GLY H 1 8 GLY QA . . 3.500 11.604 10.502 12.565 9.065 5 20 [****+*******-*******] 1
328 1 3 GLY H 1 9 ARG QB . . 3.500 11.590 9.913 12.767 9.267 18 20 [********-********+**] 1
329 1 3 GLY H 1 9 ARG QG . . 3.500 12.474 10.704 13.920 10.420 18 20 [*************-***+**] 1
330 1 3 GLY H 1 9 ARG QD . . 3.500 13.127 10.425 14.711 11.211 1 20 [+***********-*******] 1
331 1 3 GLY H 1 9 ARG HE . . 3.500 15.601 13.470 17.685 14.185 18 20 [************-****+**] 1
332 1 3 GLY H 1 10 CYS HA . . 3.500 8.575 6.423 10.034 6.534 18 20 [********-********+**] 1
333 1 3 GLY H 1 10 CYS QB . . 3.500 7.706 5.531 8.827 5.327 18 20 [********-********+**] 1
334 1 3 GLY H 1 11 SER QB . . 3.500 8.325 5.038 11.426 7.926 18 20 [********-********+**] 1
335 1 3 GLY H 1 14 LEU H . . 3.500 10.893 7.901 12.195 8.695 11 20 [********-*+*********] 1
336 1 3 GLY H 1 14 LEU HA . . 3.500 10.856 8.882 11.972 8.472 5 20 [****+***-***********] 1
337 1 3 GLY H 1 14 LEU QB . . 3.500 7.630 5.673 8.544 5.044 5 20 [****+***-***********] 1
338 1 3 GLY H 1 14 LEU HG . . 3.500 9.527 7.071 10.713 7.213 8 20 [*******+-***********] 1
339 1 3 GLY H 1 15 CYS HA . . 3.500 11.379 9.890 12.263 8.763 5 20 [****+**********-****] 1
340 1 3 GLY H 1 15 CYS QB . . 3.500 10.514 9.450 11.059 7.559 1 20 [+**************-****] 1
341 1 3 GLY H 1 17 SER QB . . 3.500 8.075 7.675 9.567 6.067 20 20 [*******-***********+] 1
342 1 3 GLY H 1 17 SER HG . . 3.500 7.584 6.961 9.371 5.871 20 20 [*******-***********+] 1
343 1 3 GLY H 1 19 TYR H . . 3.500 10.305 9.588 12.135 8.635 20 20 [*******-***********+] 1
344 1 3 GLY H 1 19 TYR QB . . 3.500 8.263 7.321 10.179 6.679 20 20 [*******-***********+] 1
345 1 3 GLY H 1 19 TYR QD . . 3.500 10.105 9.124 12.087 8.587 20 20 [*******-***********+] 1
346 1 3 GLY H 1 20 GLY H . . 3.500 9.758 9.190 11.232 7.732 20 20 [*******-***********+] 1
347 1 3 GLY H 1 20 GLY QA . . 3.500 8.082 7.704 9.096 5.596 20 20 [*******-***********+] 1
348 1 3 GLY H 1 21 TYR H . . 3.500 7.442 6.816 9.066 5.566 20 20 [*******-***********+] 1
349 1 3 GLY H 1 21 TYR HA . . 3.500 4.877 4.471 6.174 2.674 20 20 [*******-***********+] 1
350 1 3 GLY H 1 21 TYR QB . . 3.500 4.248 3.447 6.153 2.653 20 8 "[ . *1 ***-* *+]" 1
351 1 3 GLY H 1 22 CYS HA . . 3.500 6.678 5.507 7.310 3.810 20 20 [***************-***+] 1
352 1 3 GLY H 1 22 CYS QB . . 3.500 4.543 2.841 5.489 1.989 5 14 "[****+*** *** . -* *]" 1
353 1 3 GLY H 1 23 GLY QA . . 3.500 6.578 5.822 7.268 3.768 20 20 [***************-***+] 1
354 1 3 GLY H 1 24 SER H . . 3.500 9.626 8.954 10.564 7.064 20 20 [***************-***+] 1
355 1 3 GLY H 1 24 SER HA . . 3.500 11.500 10.458 12.078 8.578 20 20 [***************-***+] 1
356 1 3 GLY H 1 24 SER QB . . 3.500 10.305 9.452 10.778 7.278 1 20 [+**************-****] 1
357 1 3 GLY H 1 28 TYR QB . . 3.500 9.894 9.189 10.742 7.242 20 20 [***************-***+] 1
358 1 3 GLY QA 1 4 GLN QG . . 3.500 4.306 3.429 5.384 1.884 19 11 "[ * * *-*1** . **+*]" 1
359 1 3 GLY QA 1 4 GLN QE . . 3.500 5.612 3.131 7.220 3.720 20 18 "[ ****-***** *******+]" 1
360 1 3 GLY QA 1 5 CYS H . . 3.500 5.506 5.387 5.798 2.298 9 20 [********+**-********] 1
361 1 3 GLY QA 1 6 TYR H . . 3.500 7.730 7.351 8.197 4.697 19 20 [*****-************+*] 1
362 1 3 GLY QA 1 7 ARG H . . 3.500 10.055 9.814 10.333 6.833 20 20 [**-****************+] 1
363 1 3 GLY QA 1 7 ARG QG . . 3.500 12.075 10.763 12.684 9.184 19 20 [**-***************+*] 1
364 1 3 GLY QA 1 9 ARG QB . . 3.500 9.879 8.694 10.602 7.102 14 20 [**-**********+******] 1
365 1 3 GLY QA 1 9 ARG HE . . 3.500 13.483 10.652 15.054 11.554 9 20 [*****-**+***********] 1
366 1 3 GLY QA 1 10 CYS QB . . 3.500 6.790 6.108 7.756 4.256 17 20 [***-************+***] 1
367 1 3 GLY QA 1 14 LEU QB . . 3.500 7.002 6.477 7.846 4.346 17 20 [***-************+***] 1
368 1 3 GLY QA 1 15 CYS H . . 3.500 9.225 8.538 9.862 6.362 17 20 [***********-****+***] 1
369 1 3 GLY QA 1 15 CYS QB . . 3.500 9.859 9.450 10.263 6.763 19 20 [***********-******+*] 1
370 1 3 GLY QA 1 17 SER H . . 3.500 7.968 7.777 8.412 4.912 9 20 [********+**-********] 1
371 1 3 GLY QA 1 17 SER HG . . 3.500 7.420 7.173 7.883 4.383 9 20 [********+*******-***] 1
372 1 3 GLY QA 1 18 LYS H . . 3.500 11.227 11.044 11.705 8.205 9 20 [********+**********-] 1
373 1 3 GLY QA 1 19 TYR H . . 3.500 9.784 9.478 10.284 6.784 9 20 [********+*******-***] 1
374 1 3 GLY QA 1 19 TYR QD . . 3.500 9.570 9.078 10.049 6.549 9 20 [********+*******-***] 1
375 1 3 GLY QA 1 22 CYS H . . 3.500 4.022 3.743 4.414 0.914 9 9 "[ - +1 ***** **]" 1
376 1 3 GLY QA 1 22 CYS HA . . 3.500 6.320 5.897 6.754 3.254 17 20 [***********-****+***] 1
377 1 3 GLY QA 1 23 GLY H . . 3.500 7.276 6.740 7.785 4.285 19 20 [***********-******+*] 1
378 1 3 GLY QA 1 5 CYS QB . . 3.500 6.860 6.698 7.174 3.674 9 20 [********+**-********] 1
379 1 3 GLY QA 1 7 ARG QB . . 3.500 11.057 10.777 11.371 7.871 9 20 [*****-**+***********] 1
380 1 3 GLY QA 1 9 ARG H . . 3.500 9.735 9.360 10.132 6.632 19 20 [**-***************+*] 1
381 1 3 GLY QA 1 9 ARG QG . . 3.500 10.758 9.312 11.992 8.492 19 20 [******-***********+*] 1
382 1 3 GLY QA 1 16 CYS H . . 3.500 10.223 9.777 10.715 7.215 17 20 [***********-****+***] 1
383 1 3 GLY QA 1 21 TYR H . . 3.500 7.083 6.820 7.563 4.063 9 20 [********+*******-***] 1
384 1 4 GLN H 1 4 GLN QE . . 3.500 4.690 2.499 6.017 2.517 11 16 "[ **** ****+ -*.*****]" 1
385 1 4 GLN H 1 5 CYS QB . . 3.500 6.411 6.372 6.497 2.997 20 20 [*****************-*+] 1
386 1 4 GLN H 1 7 ARG H . . 3.500 9.173 8.833 9.516 6.016 20 20 [*************-*****+] 1
387 1 4 GLN H 1 7 ARG HA . . 3.500 11.251 10.818 11.590 8.090 20 20 [*************-*****+] 1
388 1 4 GLN H 1 7 ARG QG . . 3.500 11.717 10.257 12.395 8.895 20 20 [**-****************+] 1
389 1 4 GLN H 1 9 ARG QD . . 3.500 11.825 10.326 12.857 9.357 20 20 [**********-********+] 1
390 1 4 GLN H 1 10 CYS HA . . 3.500 7.742 7.131 8.440 4.940 20 20 [********-**********+] 1
391 1 4 GLN H 1 10 CYS QB . . 3.500 7.879 7.216 8.557 5.057 20 20 [********-**********+] 1
392 1 4 GLN H 1 11 SER QB . . 3.500 8.538 7.053 9.897 6.397 14 20 [********-****+******] 1
393 1 4 GLN H 1 14 LEU H . . 3.500 11.862 10.823 12.896 9.396 20 20 [********-**********+] 1
394 1 4 GLN H 1 14 LEU HG . . 3.500 11.235 10.610 11.822 8.322 19 20 [********-*********+*] 1
395 1 4 GLN H 1 15 CYS H . . 3.500 11.267 10.914 11.479 7.979 17 20 [***********-****+***] 1
396 1 4 GLN H 1 15 CYS QB . . 3.500 11.566 11.348 11.800 8.300 20 20 [********-**********+] 1
397 1 4 GLN H 1 16 CYS HA . . 3.500 8.770 8.659 8.917 5.417 19 20 [********-*********+*] 1
398 1 4 GLN H 1 17 SER H . . 3.500 8.824 8.741 8.917 5.417 18 20 [****-************+**] 1
399 1 4 GLN H 1 17 SER HA . . 3.500 11.559 11.457 11.679 8.179 18 20 [****-************+**] 1
400 1 4 GLN H 1 17 SER QB . . 3.500 9.137 9.028 9.262 5.762 18 20 [****-************+**] 1
401 1 4 GLN H 1 17 SER HG . . 3.500 8.381 8.201 8.559 5.059 18 20 [****************-+**] 1
402 1 4 GLN H 1 18 LYS QB . . 3.500 12.653 12.448 13.138 9.638 12 20 [***********+****-***] 1
403 1 4 GLN H 1 18 LYS QG . . 3.500 13.134 12.119 13.516 10.016 11 20 [*-********+*********] 1
404 1 4 GLN H 1 19 TYR QB . . 3.500 8.541 8.240 8.872 5.372 9 20 [********+*******-***] 1
405 1 4 GLN H 1 20 GLY QA . . 3.500 6.894 6.692 7.138 3.638 12 20 [***********+****-***] 1
406 1 4 GLN H 1 21 TYR H . . 3.500 7.428 7.210 7.644 4.144 9 20 [********+*******-***] 1
407 1 4 GLN H 1 21 TYR QB . . 3.500 5.493 5.297 5.699 2.199 9 20 [********+*******-***] 1
408 1 4 GLN H 1 22 CYS HA . . 3.500 7.531 7.318 7.817 4.317 20 20 [********-**********+] 1
409 1 4 GLN H 1 22 CYS QB . . 3.500 5.685 5.388 6.028 2.528 20 20 [***********-*******+] 1
410 1 4 GLN H 1 23 GLY QA . . 3.500 8.751 8.593 8.989 5.489 19 20 [***********-******+*] 1
411 1 4 GLN H 1 28 TYR QB . . 3.500 11.404 11.307 11.568 8.068 19 20 [***********-******+*] 1
412 1 4 GLN H 1 28 TYR QE . . 3.500 9.085 8.970 9.185 5.685 19 20 [****************-*+*] 1
413 1 4 GLN HA 1 4 GLN QE . . 3.500 4.576 3.435 4.979 1.479 10 18 "[*********+* ***** -*]" 1
414 1 4 GLN HA 1 6 TYR QE . . 3.500 8.546 6.256 10.250 6.750 19 20 [-*****************+*] 1
415 1 4 GLN HA 1 7 ARG QB . . 3.500 9.991 9.815 10.425 6.925 9 20 [********+***-*******] 1
416 1 4 GLN HA 1 7 ARG QG . . 3.500 10.815 9.671 11.275 7.775 19 20 [*******-**********+*] 1
417 1 4 GLN HA 1 8 GLY H . . 3.500 8.012 7.611 8.488 4.988 9 20 [********+***-*******] 1
418 1 4 GLN HA 1 9 ARG H . . 3.500 8.132 7.822 8.429 4.929 9 20 [********+****-******] 1
419 1 4 GLN HA 1 9 ARG QG . . 3.500 10.352 9.830 10.937 7.437 19 20 [******-***********+*] 1
420 1 4 GLN HA 1 10 CYS QB . . 3.500 7.145 6.415 7.523 4.023 20 20 [********-**********+] 1
421 1 4 GLN HA 1 14 LEU H . . 3.500 11.428 10.331 12.126 8.626 20 20 [********-**********+] 1
422 1 4 GLN HA 1 14 LEU HG . . 3.500 11.109 10.246 11.484 7.984 19 20 [********-*********+*] 1
423 1 4 GLN HA 1 17 SER HG . . 3.500 5.956 5.701 6.234 2.734 18 20 [****************-+**] 1
424 1 4 GLN HA 1 18 LYS H . . 3.500 9.730 9.503 9.997 6.497 18 20 [****************-+**] 1
425 1 4 GLN HA 1 18 LYS QB . . 3.500 10.187 9.982 10.659 7.159 12 20 [***********+****-***] 1
426 1 4 GLN HA 1 18 LYS QG . . 3.500 10.627 9.725 11.053 7.553 18 20 [*-***************+**] 1
427 1 4 GLN HA 1 19 TYR H . . 3.500 7.859 7.625 8.123 4.623 12 20 [***********+****-***] 1
428 1 4 GLN HA 1 21 TYR QE . . 3.500 4.306 3.683 4.972 1.472 9 14 "[********+1 **** - 2]" 1
429 1 4 GLN HA 1 22 CYS HA . . 3.500 5.811 5.258 6.062 2.562 18 20 [********-********+**] 1
430 1 4 GLN HA 1 24 SER H . . 3.500 11.096 10.480 11.289 7.789 18 20 [********-********+**] 1
431 1 4 GLN QB 1 9 ARG HE . . 3.500 12.305 10.765 13.521 10.021 20 20 [*****-*************+] 1
432 1 4 GLN QB 1 10 CYS HA . . 3.500 7.311 6.607 7.986 4.486 20 20 [********-**********+] 1
433 1 4 GLN QB 1 11 SER HA . . 3.500 10.489 9.485 11.297 7.797 14 20 [*******-*****+******] 1
434 1 4 GLN QB 1 16 CYS HA . . 3.500 7.784 7.253 8.217 4.717 18 20 [********-********+**] 1
435 1 4 GLN QB 1 17 SER HA . . 3.500 10.076 9.689 10.576 7.076 18 20 [********-********+**] 1
436 1 4 GLN QB 1 17 SER HG . . 3.500 7.395 7.049 7.808 4.308 11 20 [****-*****+*********] 1
437 1 4 GLN QB 1 18 LYS H . . 3.500 10.531 10.194 11.109 7.609 11 20 [**********+**-******] 1
438 1 4 GLN QB 1 19 TYR H . . 3.500 8.675 8.328 9.292 5.792 11 20 [**********+**-******] 1
439 1 4 GLN QB 1 19 TYR HA . . 3.500 8.437 8.062 9.143 5.643 11 20 [**********+**-******] 1
440 1 4 GLN QB 1 21 TYR H . . 3.500 6.051 5.738 6.612 3.112 11 20 [**********+**-******] 1
441 1 4 GLN QB 1 21 TYR HA . . 3.500 4.254 3.895 4.570 1.070 12 17 "[****.*** **+*-** ***]" 1
442 1 4 GLN QB 1 7 ARG H . . 3.500 6.487 6.064 7.204 3.704 20 20 [*************-*****+] 1
443 1 4 GLN QB 1 9 ARG H . . 3.500 7.518 6.923 8.198 4.698 20 20 [*************-*****+] 1
444 1 4 GLN QB 1 11 SER H . . 3.500 8.476 7.437 9.223 5.723 20 20 [********-**********+] 1
445 1 4 GLN QB 1 14 LEU H . . 3.500 11.724 10.736 12.568 9.068 20 20 [********-**********+] 1
446 1 4 GLN QB 1 14 LEU HA . . 3.500 12.232 11.611 12.499 8.999 19 20 [********-*********+*] 1
447 1 4 GLN QB 1 15 CYS H . . 3.500 10.956 10.518 11.147 7.647 2 20 [*+******-***********] 1
448 1 4 GLN QB 1 17 SER H . . 3.500 7.733 7.284 8.204 4.704 18 20 [********-********+**] 1
449 1 4 GLN QB 1 17 SER QB . . 3.500 8.227 7.908 8.576 5.076 11 20 [********-*+*********] 1
450 1 4 GLN QB 1 22 CYS HA . . 3.500 7.364 6.823 7.654 4.154 18 20 [********-********+**] 1
451 1 4 GLN QB 1 23 GLY H . . 3.500 9.208 8.697 9.427 5.927 19 20 [********-*********+*] 1
452 1 4 GLN QB 1 28 TYR HA . . 3.500 11.924 11.521 12.317 8.817 18 20 [********-********+**] 1
453 1 4 GLN QG 1 6 TYR H . . 3.500 6.684 4.959 7.584 4.084 8 20 [*******+***********-] 1
454 1 4 GLN QG 1 8 GLY H . . 3.500 7.576 5.656 8.892 5.392 8 20 [*******+********-***] 1
455 1 4 GLN QG 1 22 CYS H . . 3.500 5.064 4.293 5.358 1.858 19 20 [********-*********+*] 1
456 1 4 GLN QG 1 5 CYS HA . . 3.500 5.352 4.083 6.044 2.544 16 20 [***************+***-] 1
457 1 4 GLN QG 1 7 ARG H . . 3.500 7.311 5.320 8.473 4.973 10 20 [****-****+**********] 1
458 1 4 GLN QG 1 7 ARG QG . . 3.500 9.603 7.281 10.944 7.444 15 20 [*-************+*****] 1
459 1 4 GLN QG 1 8 GLY QA . . 3.500 7.897 6.099 9.405 5.905 8 20 [*******+********-***] 1
460 1 4 GLN QG 1 9 ARG H . . 3.500 8.185 6.451 9.332 5.832 8 20 [*******+***********-] 1
461 1 4 GLN QG 1 10 CYS H . . 3.500 9.838 8.488 10.664 7.164 6 20 [****-+**************] 1
462 1 4 GLN QG 1 10 CYS HA . . 3.500 8.067 6.629 8.865 5.365 14 20 [****-********+******] 1
463 1 4 GLN QG 1 10 CYS QB . . 3.500 8.098 7.246 8.661 5.161 16 20 [****-**********+****] 1
464 1 4 GLN QG 1 11 SER H . . 3.500 9.228 8.050 10.148 6.648 14 20 [****-********+******] 1
465 1 4 GLN QG 1 11 SER HA . . 3.500 11.389 9.861 12.605 9.105 14 20 [****-********+******] 1
466 1 4 GLN QG 1 15 CYS H . . 3.500 10.939 10.370 11.340 7.840 16 20 [***************+-***] 1
467 1 4 GLN QG 1 16 CYS H . . 3.500 10.027 8.916 11.001 7.501 16 20 [***************+-***] 1
468 1 4 GLN QG 1 16 CYS HA . . 3.500 7.614 6.662 8.497 4.997 16 20 [***************+-***] 1
469 1 4 GLN QG 1 17 SER H . . 3.500 7.240 6.419 8.125 4.625 10 20 [*********+******-***] 1
470 1 4 GLN QG 1 17 SER HA . . 3.500 9.415 8.559 10.398 6.898 10 20 [*********+******-***] 1
471 1 4 GLN QG 1 17 SER QB . . 3.500 7.539 6.861 8.179 4.679 10 20 [********-+**********] 1
472 1 4 GLN QG 1 17 SER HG . . 3.500 6.543 5.730 7.236 3.736 10 20 [********-+**********] 1
473 1 4 GLN QG 1 18 LYS H . . 3.500 9.668 8.814 10.771 7.271 10 20 [*********+******-***] 1
474 1 4 GLN QG 1 18 LYS HA . . 3.500 9.503 8.336 10.916 7.416 10 20 [*********+******-***] 1
475 1 4 GLN QG 1 19 TYR H . . 3.500 7.699 6.930 8.801 5.301 10 20 [*********+******-***] 1
476 1 4 GLN QG 1 19 TYR HA . . 3.500 7.335 6.575 8.573 5.073 10 20 [*********+******-***] 1
477 1 4 GLN QG 1 21 TYR H . . 3.500 5.184 4.460 6.120 2.620 10 20 [********-+**********] 1
478 1 4 GLN QG 1 21 TYR HA . . 3.500 3.699 2.718 4.116 0.616 20 4 "[ . * .- *+]" 1
479 1 4 GLN QG 1 22 CYS HA . . 3.500 7.210 6.583 7.712 4.212 16 20 [********-******+****] 1
480 1 4 GLN QG 1 23 GLY H . . 3.500 9.057 8.371 9.426 5.926 16 20 [********-******+****] 1
481 1 4 GLN QG 1 28 TYR HA . . 3.500 11.313 10.581 12.118 8.618 10 20 [*********+******-***] 1
482 1 4 GLN QE 1 5 CYS HA . . 3.500 7.173 5.304 8.135 4.635 16 20 [****-**********+****] 1
483 1 4 GLN QE 1 7 ARG H . . 3.500 7.905 4.504 9.996 6.496 12 20 [****-******+********] 1
484 1 4 GLN QE 1 7 ARG HA . . 3.500 9.392 6.056 11.676 8.176 12 20 [***********+****-***] 1
485 1 4 GLN QE 1 7 ARG QG . . 3.500 9.928 6.229 12.327 8.827 12 20 [*-*********+********] 1
486 1 4 GLN QE 1 8 GLY QA . . 3.500 9.050 6.228 10.599 7.099 6 20 [*****+****-*********] 1
487 1 4 GLN QE 1 9 ARG H . . 3.500 9.549 6.697 10.972 7.472 6 20 [*****+**********-***] 1
488 1 4 GLN QE 1 9 ARG QB . . 3.500 10.451 7.471 11.806 8.306 15 20 [****-*********+*****] 1
489 1 4 GLN QE 1 9 ARG QG . . 3.500 11.548 8.677 12.936 9.436 13 20 [****-*******+*******] 1
490 1 4 GLN QE 1 9 ARG QD . . 3.500 12.027 8.402 13.641 10.141 4 20 [***+-***************] 1
491 1 4 GLN QE 1 10 CYS H . . 3.500 11.617 9.412 12.695 9.195 15 20 [****-*********+*****] 1
492 1 4 GLN QE 1 10 CYS HA . . 3.500 9.859 7.710 11.069 7.569 14 20 [****-********+******] 1
493 1 4 GLN QE 1 10 CYS QB . . 3.500 9.868 8.575 10.784 7.284 16 20 [****-**********+****] 1
494 1 4 GLN QE 1 11 SER H . . 3.500 11.068 9.404 12.539 9.039 14 20 [****-********+******] 1
495 1 4 GLN QE 1 11 SER QB . . 3.500 11.171 9.851 12.883 9.383 14 20 [****-********+******] 1
496 1 4 GLN QE 1 14 LEU HG . . 3.500 13.912 11.914 14.626 11.126 16 20 [***********-***+****] 1
497 1 4 GLN QE 1 15 CYS H . . 3.500 13.075 11.542 13.797 10.297 13 20 [***********-+*******] 1
498 1 4 GLN QE 1 15 CYS HA . . 3.500 13.208 12.015 14.260 10.760 13 20 [****-*******+*******] 1
499 1 4 GLN QE 1 15 CYS QB . . 3.500 12.377 11.576 13.368 9.868 10 20 [*********+*-********] 1
500 1 4 GLN QE 1 16 CYS H . . 3.500 12.045 10.720 13.225 9.725 10 20 [*********+-*********] 1
501 1 4 GLN QE 1 16 CYS HA . . 3.500 9.711 8.652 10.855 7.355 10 20 [*********+-*********] 1
502 1 4 GLN QE 1 17 SER H . . 3.500 9.318 8.367 10.578 7.078 10 20 [*********+*******-**] 1
503 1 4 GLN QE 1 17 SER HA . . 3.500 11.346 10.324 12.758 9.258 10 20 [*********+*******-**] 1
504 1 4 GLN QE 1 17 SER QB . . 3.500 9.289 8.382 10.421 6.921 10 20 [*********+*******-**] 1
505 1 4 GLN QE 1 18 LYS H . . 3.500 11.366 10.161 12.894 9.394 10 20 [*********+********-*] 1
506 1 4 GLN QE 1 18 LYS HA . . 3.500 10.968 9.643 12.712 9.212 1 20 [+*********-*********] 1
507 1 4 GLN QE 1 18 LYS QB . . 3.500 10.868 9.629 12.419 8.919 10 20 [*********+*******-**] 1
508 1 4 GLN QE 1 18 LYS QG . . 3.500 11.188 9.367 12.832 9.332 13 20 [************+*****-*] 1
509 1 4 GLN QE 1 19 TYR QB . . 3.500 7.083 5.685 8.286 4.786 10 20 [*********+********-*] 1
510 1 4 GLN QE 1 20 GLY QA . . 3.500 5.417 3.975 7.091 3.591 1 19 "[+********* ******-**]" 1
511 1 4 GLN QE 1 21 TYR HA . . 3.500 5.933 4.616 6.802 3.302 10 20 [*********+*-********] 1
512 1 4 GLN QE 1 21 TYR QB . . 3.500 6.476 4.752 7.651 4.151 2 20 [*+*********-********] 1
513 1 4 GLN QE 1 22 CYS HA . . 3.500 9.386 8.077 10.245 6.745 10 20 [*********+*-********] 1
514 1 4 GLN QE 1 22 CYS QB . . 3.500 8.360 6.573 8.904 5.404 14 20 [***********-*+******] 1
515 1 4 GLN QE 1 23 GLY H . . 3.500 11.211 9.526 11.964 8.464 10 20 [*********+*-********] 1
516 1 4 GLN QE 1 23 GLY QA . . 3.500 10.579 8.591 11.329 7.829 20 20 [***********-*******+] 1
517 1 4 GLN QE 1 28 TYR HA . . 3.500 13.304 12.398 14.616 11.116 10 20 [*********+*******-**] 1
518 1 4 GLN QE 1 28 TYR QB . . 3.500 12.175 11.024 13.154 9.654 10 20 [*********+*-********] 1
519 1 4 GLN QE 1 29 CYS HA . . 3.500 15.678 14.649 16.940 13.440 10 20 [*********+-*********] 1
520 1 5 CYS H 1 7 ARG QG . . 3.500 9.140 8.132 9.537 6.037 6 20 [*****+*-************] 1
521 1 5 CYS H 1 17 SER H . . 3.500 5.609 5.494 5.752 2.252 18 20 [****-************+**] 1
522 1 5 CYS H 1 17 SER QB . . 3.500 6.958 6.879 7.085 3.585 18 20 [****-************+**] 1
523 1 5 CYS H 1 18 LYS QB . . 3.500 9.733 9.637 9.950 6.450 12 20 [**-********+********] 1
524 1 5 CYS H 1 18 LYS QG . . 3.500 10.006 9.505 10.328 6.828 18 20 [*-***************+**] 1
525 1 5 CYS HA 1 7 ARG H . . 3.500 5.916 5.685 6.131 2.631 18 20 [**-**************+**] 1
526 1 5 CYS HA 1 7 ARG QB . . 3.500 7.180 7.046 7.416 3.916 8 20 [*****-*+************] 1
527 1 5 CYS HA 1 7 ARG QG . . 3.500 8.417 7.490 8.839 5.339 18 20 [**-**************+**] 1
528 1 5 CYS HA 1 9 ARG QG . . 3.500 6.653 6.001 7.439 3.939 19 20 [*****-************+*] 1
529 1 5 CYS HA 1 10 CYS QB . . 3.500 4.349 3.965 4.707 1.207 17 19 "[***-**** *******+***]" 1
530 1 5 CYS HA 1 14 LEU H . . 3.500 8.602 8.021 9.192 5.692 20 20 [********-**********+] 1
531 1 5 CYS HA 1 14 LEU QB . . 3.500 6.403 6.211 6.501 3.001 6 20 [*****+**-***********] 1
532 1 5 CYS HA 1 14 LEU HG . . 3.500 9.240 9.077 9.445 5.945 6 20 [*****+**-***********] 1
533 1 5 CYS HA 1 18 LYS QB . . 3.500 11.379 11.210 11.634 8.134 5 20 [****+***-***********] 1
534 1 5 CYS HA 1 18 LYS QG . . 3.500 11.568 11.103 11.931 8.431 8 20 [*******+-***********] 1
535 1 5 CYS HA 1 22 CYS HA . . 3.500 5.301 5.106 5.429 1.929 8 20 [*******+-***********] 1
536 1 5 CYS HA 1 29 CYS H . . 3.500 13.041 12.756 13.215 9.715 5 20 [****+***-***********] 1
537 1 5 CYS QB 1 18 LYS H . . 3.500 8.482 8.288 8.669 5.169 5 20 [****+***-***********] 1
538 1 5 CYS QB 1 7 ARG H . . 3.500 4.607 4.067 4.855 1.355 14 20 [*******-*****+******] 1
539 1 5 CYS QB 1 7 ARG QB . . 3.500 5.758 5.681 5.829 2.329 9 20 [********+****-******] 1
540 1 5 CYS QB 1 7 ARG QG . . 3.500 6.573 6.005 6.821 3.321 6 20 [*****+*-************] 1
541 1 5 CYS QB 1 14 LEU QB . . 3.500 6.539 6.367 6.624 3.124 9 20 [****-***+***********] 1
542 1 5 CYS QB 1 15 CYS H . . 3.500 7.768 7.627 7.895 4.395 9 20 [********+**********-] 1
543 1 5 CYS QB 1 17 SER H . . 3.500 5.260 5.130 5.372 1.872 5 20 [****+***-***********] 1
544 1 5 CYS QB 1 17 SER HG . . 3.500 6.707 6.577 6.851 3.351 5 20 [****+***-***********] 1
545 1 5 CYS QB 1 18 LYS QG . . 3.500 8.863 8.527 9.157 5.657 5 20 [****+***-***********] 1
546 1 5 CYS QB 1 19 TYR H . . 3.500 7.587 7.388 7.808 4.308 5 20 [****+***-***********] 1
547 1 5 CYS QB 1 21 TYR H . . 3.500 5.594 5.453 5.801 2.301 5 20 [****+***-***********] 1
548 1 5 CYS QB 1 22 CYS HA . . 3.500 5.153 5.114 5.228 1.728 14 20 [*******-*****+******] 1
549 1 5 CYS QB 1 23 GLY H . . 3.500 7.000 6.916 7.076 3.576 14 20 [*******-*****+******] 1
550 1 5 CYS QB 1 24 SER HA . . 3.500 10.721 10.631 10.831 7.331 14 20 [****-********+******] 1
551 1 5 CYS QB 1 29 CYS H . . 3.500 11.095 10.997 11.232 7.732 14 20 [********-****+******] 1
552 1 6 TYR H 1 7 ARG QB . . 3.500 5.135 5.021 5.289 1.789 3 20 [**+***************-*] 1
553 1 6 TYR H 1 7 ARG QG . . 3.500 6.539 5.637 6.925 3.425 13 20 [*********-**+*******] 1
554 1 6 TYR H 1 12 GLY QA . . 3.500 9.673 9.024 10.473 6.973 7 20 [******+**-**********] 1
555 1 6 TYR H 1 14 LEU HA . . 3.500 10.640 10.471 10.832 7.332 20 20 [********-**********+] 1
556 1 6 TYR H 1 14 LEU QB . . 3.500 7.517 7.338 7.732 4.232 7 20 [******+********-****] 1
557 1 6 TYR H 1 17 SER HG . . 3.500 9.934 9.722 10.090 6.590 14 20 [********-****+******] 1
558 1 6 TYR H 1 18 LYS QG . . 3.500 12.496 11.822 12.865 9.365 14 20 [********-****+******] 1
559 1 6 TYR H 1 18 LYS QD . . 3.500 13.876 11.859 14.630 11.130 1 20 [+****************-**] 1
560 1 6 TYR H 1 19 TYR H . . 3.500 11.332 10.974 11.606 8.106 17 20 [****************+-**] 1
561 1 6 TYR H 1 19 TYR QB . . 3.500 10.809 10.581 10.940 7.440 6 20 [*****+***********-**] 1
562 1 6 TYR H 1 20 GLY QA . . 3.500 6.759 6.404 7.026 3.526 17 20 [****************+-**] 1
563 1 6 TYR QD 1 15 CYS QB . . 3.500 11.458 10.114 12.192 8.692 5 20 [****+-**************] 1
564 1 6 TYR QD 1 18 LYS QG . . 3.500 13.945 13.270 14.565 11.065 17 20 [*****-**********+***] 1
565 1 6 TYR QD 1 22 CYS HA . . 3.500 9.531 7.913 10.423 6.923 5 20 [****+-**************] 1
566 1 6 TYR QE 1 15 CYS HA . . 3.500 12.561 8.403 13.875 10.375 5 20 [****+-**************] 1
567 1 7 ARG H 1 8 GLY QA . . 3.500 4.702 4.683 4.728 1.228 8 20 [*******+**********-*] 1
568 1 7 ARG H 1 9 ARG QB . . 3.500 5.322 5.020 5.472 1.972 15 20 [******-*******+*****] 1
569 1 7 ARG H 1 9 ARG QD . . 3.500 7.050 5.241 7.988 4.488 19 20 [********-*********+*] 1
570 1 7 ARG H 1 10 CYS HA . . 3.500 7.540 7.296 7.840 4.340 7 20 [******+*-***********] 1
571 1 7 ARG H 1 10 CYS QB . . 3.500 8.651 8.306 8.902 5.402 20 20 [****-**************+] 1
572 1 7 ARG H 1 11 SER QB . . 3.500 10.411 9.331 11.141 7.641 3 20 [**+**************-**] 1
573 1 7 ARG H 1 12 GLY QA . . 3.500 13.081 12.268 13.932 10.432 7 20 [******+**-**********] 1
574 1 7 ARG H 1 13 GLY QA . . 3.500 13.709 12.393 14.920 11.420 20 20 [******-************+] 1
575 1 7 ARG H 1 14 LEU H . . 3.500 13.319 12.815 13.856 10.356 20 20 [******-************+] 1
576 1 7 ARG H 1 14 LEU HG . . 3.500 14.626 14.415 14.907 11.407 6 20 [*****+**********-***] 1
577 1 7 ARG H 1 15 CYS QB . . 3.500 12.480 11.915 12.951 9.451 14 20 [*******-*****+******] 1
578 1 7 ARG H 1 17 SER H . . 3.500 10.837 10.165 11.222 7.722 14 20 [*******-*****+******] 1
579 1 7 ARG H 1 17 SER HA . . 3.500 13.133 12.380 13.624 10.124 14 20 [*******-*****+******] 1
580 1 7 ARG H 1 17 SER QB . . 3.500 12.042 11.438 12.355 8.855 14 20 [*******-*****+******] 1
581 1 7 ARG H 1 17 SER HG . . 3.500 12.157 11.525 12.467 8.967 15 20 [*******-******+*****] 1
582 1 7 ARG H 1 18 LYS HA . . 3.500 12.611 11.761 13.196 9.696 14 20 [*******-*****+******] 1
583 1 7 ARG H 1 18 LYS QB . . 3.500 13.417 12.689 13.965 10.465 14 20 [****-********+******] 1
584 1 7 ARG H 1 18 LYS QG . . 3.500 13.294 12.297 14.059 10.559 12 20 [*******-***+********] 1
585 1 7 ARG H 1 19 TYR H . . 3.500 12.738 12.002 13.137 9.637 15 20 [*******-******+*****] 1
586 1 7 ARG H 1 19 TYR QB . . 3.500 11.899 11.340 12.215 8.715 15 20 [*******-******+*****] 1
587 1 7 ARG H 1 20 GLY H . . 3.500 10.454 9.719 10.862 7.362 15 20 [*******-******+*****] 1
588 1 7 ARG H 1 20 GLY QA . . 3.500 7.383 6.770 7.733 4.233 15 20 [*******-******+*****] 1
589 1 7 ARG H 1 21 TYR H . . 3.500 10.627 10.008 10.941 7.441 15 20 [*******-******+*****] 1
590 1 7 ARG H 1 21 TYR HA . . 3.500 9.654 9.215 9.867 6.367 6 20 [*****+*-************] 1
591 1 7 ARG H 1 21 TYR QB . . 3.500 10.904 10.491 11.093 7.593 6 20 [*****+*-************] 1
592 1 7 ARG H 1 21 TYR QD . . 3.500 10.240 9.729 10.833 7.333 12 20 [****-******+********] 1
593 1 7 ARG H 1 22 CYS HA . . 3.500 10.707 10.195 10.958 7.458 14 20 [*******-*****+******] 1
594 1 7 ARG H 1 22 CYS QB . . 3.500 9.700 9.403 9.834 6.334 18 20 [*******-*********+**] 1
595 1 7 ARG H 1 23 GLY QA . . 3.500 13.300 12.898 13.461 9.961 6 20 [*****+*-************] 1
596 1 7 ARG H 1 28 TYR HA . . 3.500 15.179 14.456 15.673 12.173 14 20 [*******-*****+******] 1
597 1 7 ARG H 1 29 CYS HA . . 3.500 15.592 14.903 16.228 12.728 14 20 [*******-*****+******] 1
598 1 7 ARG HA 1 10 CYS HA . . 3.500 8.910 8.762 9.257 5.757 7 20 [******+*-***********] 1
599 1 7 ARG HA 1 17 SER HA . . 3.500 13.562 12.713 14.066 10.566 14 20 [*******-*****+******] 1
600 1 7 ARG HA 1 17 SER HG . . 3.500 13.126 12.481 13.485 9.985 15 20 [*******-******+*****] 1
601 1 7 ARG HA 1 18 LYS H . . 3.500 14.279 13.419 14.771 11.271 15 20 [*******-******+*****] 1
602 1 7 ARG HA 1 18 LYS QG . . 3.500 13.180 12.110 14.239 10.739 12 20 [*******-***+********] 1
603 1 7 ARG HA 1 21 TYR H . . 3.500 11.609 11.022 11.961 8.461 15 20 [*******-******+*****] 1
604 1 7 ARG HA 1 22 CYS HA . . 3.500 11.882 11.295 12.146 8.646 14 20 [*******-*****+******] 1
605 1 7 ARG HA 1 28 TYR QE . . 3.500 14.791 14.205 15.063 11.563 6 20 [*****+*-************] 1
606 1 7 ARG QB 1 11 SER HA . . 3.500 9.823 9.075 10.913 7.413 8 20 [*******+***-********] 1
607 1 7 ARG QB 1 15 CYS HA . . 3.500 11.365 11.193 11.654 8.154 14 20 [*************+****-*] 1
608 1 7 ARG QB 1 16 CYS HA . . 3.500 10.209 10.108 10.387 6.887 17 20 [****************+-**] 1
609 1 7 ARG QB 1 17 SER HA . . 3.500 13.316 13.095 13.615 10.115 17 20 [****************+-**] 1
610 1 7 ARG QB 1 17 SER QB . . 3.500 12.463 12.326 12.624 9.124 17 20 [****************+-**] 1
611 1 7 ARG QB 1 17 SER HG . . 3.500 13.054 12.915 13.179 9.679 6 20 [****-+**************] 1
612 1 7 ARG QB 1 18 LYS H . . 3.500 14.254 13.981 14.595 11.095 17 20 [****************+-**] 1
613 1 7 ARG QB 1 19 TYR H . . 3.500 13.508 13.255 13.779 10.279 17 20 [****************+-**] 1
614 1 7 ARG QB 1 19 TYR HA . . 3.500 13.717 13.355 14.018 10.518 15 20 [****-*********+*****] 1
615 1 7 ARG QB 1 20 GLY H . . 3.500 11.519 11.261 11.787 8.287 17 20 [****-***********+***] 1
616 1 7 ARG QB 1 21 TYR H . . 3.500 11.842 11.654 11.994 8.494 6 20 [****-+**************] 1
617 1 7 ARG QB 1 21 TYR HA . . 3.500 11.081 10.935 11.290 7.790 2 20 [*+***********-******] 1
618 1 7 ARG QB 1 22 CYS H . . 3.500 11.124 10.974 11.326 7.826 2 20 [*+**************-***] 1
619 1 7 ARG QG 1 8 GLY H . . 3.500 4.440 4.344 4.624 1.124 10 20 [***-*****+**********] 1
620 1 7 ARG QG 1 8 GLY QA . . 3.500 4.650 4.273 5.644 2.144 10 20 [****-****+**********] 1
621 1 7 ARG QG 1 9 ARG H . . 3.500 5.419 5.228 5.648 2.148 9 20 [-*******+***********] 1
622 1 7 ARG QG 1 9 ARG QB . . 3.500 5.213 4.602 5.952 2.452 8 20 [-******+************] 1
623 1 7 ARG QG 1 10 CYS H . . 3.500 8.790 8.452 9.182 5.682 9 20 [********+*****-*****] 1
624 1 7 ARG QG 1 10 CYS HA . . 3.500 9.098 8.051 9.755 6.255 7 20 [******+**-**********] 1
625 1 7 ARG QG 1 10 CYS QB . . 3.500 9.646 9.141 9.869 6.369 12 20 [*********-*+********] 1
626 1 7 ARG QG 1 11 SER H . . 3.500 11.149 9.857 11.891 8.391 7 20 [******+**-**********] 1
627 1 7 ARG QG 1 11 SER HA . . 3.500 11.535 9.699 12.635 9.135 7 20 [******+**-**********] 1
628 1 7 ARG QG 1 12 GLY H . . 3.500 13.319 11.183 14.658 11.158 7 20 [******+**-**********] 1
629 1 7 ARG QG 1 13 GLY H . . 3.500 14.047 13.293 15.515 12.015 8 20 [*******+*-**********] 1
630 1 7 ARG QG 1 13 GLY QA . . 3.500 13.475 12.333 14.569 11.069 20 20 [******-************+] 1
631 1 7 ARG QG 1 15 CYS HA . . 3.500 12.491 12.088 12.885 9.385 9 20 [****-***+***********] 1
632 1 7 ARG QG 1 16 CYS H . . 3.500 11.377 10.930 11.855 8.355 3 20 [**+*-***************] 1
633 1 7 ARG QG 1 16 CYS HA . . 3.500 11.115 10.799 11.418 7.918 6 20 [*****+*-************] 1
634 1 7 ARG QG 1 17 SER H . . 3.500 12.198 11.685 12.561 9.061 6 20 [*****+*-************] 1
635 1 7 ARG QG 1 17 SER HA . . 3.500 13.874 13.355 14.358 10.858 10 20 [****-****+**********] 1
636 1 7 ARG QG 1 17 SER QB . . 3.500 13.039 12.518 13.397 9.897 6 20 [*****+*-************] 1
637 1 7 ARG QG 1 17 SER HG . . 3.500 13.677 12.898 14.093 10.593 6 20 [*****+*-************] 1
638 1 7 ARG QG 1 18 LYS H . . 3.500 14.583 14.001 15.255 11.755 10 20 [****-****+**********] 1
639 1 7 ARG QG 1 19 TYR H . . 3.500 13.802 13.026 14.312 10.812 10 20 [*******-*+**********] 1
640 1 7 ARG QG 1 19 TYR HA . . 3.500 13.763 12.775 14.365 10.865 10 20 [*******-*+**********] 1
641 1 7 ARG QG 1 20 GLY H . . 3.500 11.780 10.959 12.275 8.775 10 20 [*******-*+**********] 1
642 1 7 ARG QG 1 21 TYR H . . 3.500 12.369 11.476 12.817 9.317 6 20 [*****+*-************] 1
643 1 7 ARG QG 1 21 TYR HA . . 3.500 11.882 10.910 12.314 8.814 6 20 [*****+*-************] 1
644 1 7 ARG QG 1 22 CYS H . . 3.500 12.166 11.385 12.532 9.032 6 20 [*****+*-************] 1
645 1 7 ARG QG 1 22 CYS HA . . 3.500 12.310 11.849 12.606 9.106 6 20 [*****+*-************] 1
646 1 7 ARG QG 1 23 GLY H . . 3.500 13.990 13.604 14.262 10.762 14 20 [*********-***+******] 1
647 1 7 ARG QG 1 14 LEU HA . . 3.500 15.148 14.738 15.499 11.999 13 20 [*********-**+*******] 1
648 1 7 ARG QG 1 15 CYS QB . . 3.500 12.713 12.308 13.072 9.572 3 20 [**+*-***************] 1
649 1 7 ARG QG 1 18 LYS HA . . 3.500 13.001 12.312 13.977 10.477 10 20 [****-****+**********] 1
650 1 7 ARG QG 1 19 TYR QB . . 3.500 13.104 12.194 13.553 10.053 6 20 [*****+*-************] 1
651 1 7 ARG QG 1 20 GLY QA . . 3.500 8.959 8.078 9.363 5.863 6 20 [*****+*-************] 1
652 1 7 ARG QG 1 28 TYR HA . . 3.500 15.596 15.068 16.023 12.523 10 20 [****-****+**********] 1
653 1 7 ARG QG 1 29 CYS HA . . 3.500 15.284 14.665 15.954 12.454 3 20 [**+*-***************] 1
654 1 8 GLY H 1 10 CYS HA . . 3.500 6.708 6.313 6.968 3.468 6 20 [****-+**************] 1
655 1 8 GLY H 1 10 CYS QB . . 3.500 7.364 6.664 7.693 4.193 17 20 [****-***********+***] 1
656 1 8 GLY H 1 12 GLY QA . . 3.500 12.355 11.633 13.008 9.508 14 20 [*********-***+******] 1
657 1 8 GLY H 1 14 LEU HA . . 3.500 13.041 12.168 13.510 10.010 14 20 [*******-*****+******] 1
658 1 8 GLY H 1 14 LEU QB . . 3.500 9.977 9.386 10.207 6.707 13 20 [*******-****+*******] 1
659 1 8 GLY H 1 15 CYS HA . . 3.500 9.939 9.101 10.599 7.099 14 20 [*******-*****+******] 1
660 1 8 GLY H 1 15 CYS QB . . 3.500 10.417 9.772 10.979 7.479 14 20 [*******-*****+******] 1
661 1 8 GLY H 1 17 SER HA . . 3.500 10.914 10.559 11.268 7.768 14 20 [***-*********+******] 1
662 1 8 GLY H 1 17 SER QB . . 3.500 10.372 10.155 10.573 7.073 15 20 [********-*****+*****] 1
663 1 8 GLY H 1 17 SER HG . . 3.500 10.606 10.429 10.792 7.292 15 20 [**************+**-**] 1
664 1 8 GLY H 1 18 LYS H . . 3.500 11.846 11.529 12.137 8.637 17 20 [********-*******+***] 1
665 1 8 GLY H 1 18 LYS QB . . 3.500 11.545 11.160 11.830 8.330 6 20 [*****+***********-**] 1
666 1 8 GLY H 1 18 LYS QG . . 3.500 11.354 10.826 12.021 8.521 12 20 [***-*******+********] 1
667 1 8 GLY H 1 18 LYS QD . . 3.500 12.710 10.710 13.469 9.969 12 20 [***********+*****-**] 1
668 1 8 GLY H 1 19 TYR H . . 3.500 10.978 10.636 11.215 7.715 6 20 [*****+***********-**] 1
669 1 8 GLY H 1 19 TYR QB . . 3.500 10.800 10.469 11.042 7.542 5 20 [****+************-**] 1
670 1 8 GLY H 1 21 TYR QB . . 3.500 10.012 9.850 10.133 6.633 6 20 [*****+******-*******] 1
671 1 8 GLY H 1 22 CYS HA . . 3.500 9.135 8.707 9.343 5.843 14 20 [*******-*****+******] 1
672 1 8 GLY H 1 22 CYS QB . . 3.500 8.741 8.310 8.906 5.406 10 20 [*******-*+**********] 1
673 1 8 GLY H 1 28 TYR HA . . 3.500 12.890 12.455 13.336 9.836 14 20 [*******-*****+******] 1
674 1 8 GLY QA 1 17 SER HG . . 3.500 9.234 8.842 9.835 6.335 5 20 [****+************-**] 1
675 1 8 GLY QA 1 18 LYS H . . 3.500 9.689 9.150 10.339 6.839 5 20 [****+************-**] 1
676 1 8 GLY QA 1 18 LYS QG . . 3.500 9.213 8.605 10.174 6.674 2 20 [*+********-*********] 1
677 1 8 GLY QA 1 19 TYR H . . 3.500 9.320 8.685 10.199 6.699 5 20 [****+************-**] 1
678 1 8 GLY QA 1 21 TYR H . . 3.500 8.212 7.703 9.030 5.530 5 20 [****+************-**] 1
679 1 8 GLY QA 1 22 CYS H . . 3.500 8.520 8.253 8.798 5.298 5 20 [****+*******-*******] 1
680 1 8 GLY QA 1 22 CYS HA . . 3.500 7.933 7.813 8.041 4.541 14 20 [******-******+******] 1
681 1 8 GLY QA 1 10 CYS QB . . 3.500 6.391 5.697 6.704 3.204 11 20 [****-*****+*********] 1
682 1 8 GLY QA 1 15 CYS H . . 3.500 9.747 9.149 10.237 6.737 14 20 [*******-*****+******] 1
683 1 8 GLY QA 1 15 CYS QB . . 3.500 8.266 7.737 8.830 5.330 14 20 [******-******+******] 1
684 1 8 GLY QA 1 16 CYS H . . 3.500 6.386 5.798 6.986 3.486 14 20 [******-******+******] 1
685 1 8 GLY QA 1 21 TYR QD . . 3.500 9.220 8.723 10.038 6.538 8 20 [*******+*********-**] 1
686 1 8 GLY QA 1 22 CYS QB . . 3.500 7.945 7.660 8.126 4.626 18 20 [*******-*********+**] 1
687 1 8 GLY QA 1 23 GLY H . . 3.500 9.576 9.253 9.848 6.348 14 20 [*******-*****+******] 1
688 1 9 ARG H 1 10 CYS HA . . 3.500 4.676 4.579 4.991 1.491 7 20 [******+**-**********] 1
689 1 9 ARG H 1 10 CYS QB . . 3.500 5.563 5.405 5.706 2.206 17 20 [*-**************+***] 1
690 1 9 ARG H 1 11 SER QB . . 3.500 8.364 7.434 9.007 5.507 3 20 [**+**************-**] 1
691 1 9 ARG H 1 14 LEU HA . . 3.500 11.105 10.747 11.409 7.909 14 20 [******-******+******] 1
692 1 9 ARG H 1 15 CYS H . . 3.500 10.018 9.774 10.239 6.739 5 20 [****+**************-] 1
693 1 9 ARG H 1 15 CYS HA . . 3.500 8.306 8.081 8.643 5.143 14 20 [*************+****-*] 1
694 1 9 ARG H 1 15 CYS QB . . 3.500 9.260 9.017 9.596 6.096 5 20 [****+*************-*] 1
695 1 9 ARG H 1 17 SER H . . 3.500 8.518 8.171 9.111 5.611 5 20 [****+************-**] 1
696 1 9 ARG H 1 17 SER HA . . 3.500 10.669 10.204 11.334 7.834 5 20 [****+************-**] 1
697 1 9 ARG H 1 17 SER QB . . 3.500 10.147 9.828 10.679 7.179 5 20 [****+************-**] 1
698 1 9 ARG H 1 17 SER HG . . 3.500 10.597 10.249 11.169 7.669 5 20 [****+************-**] 1
699 1 9 ARG H 1 18 LYS QG . . 3.500 11.951 11.446 12.792 9.292 8 20 [*******+*********-**] 1
700 1 9 ARG H 1 20 GLY QA . . 3.500 6.971 6.480 7.611 4.111 8 20 [*******+*********-**] 1
701 1 9 ARG H 1 22 CYS HA . . 3.500 8.109 7.974 8.426 4.926 5 20 [****+*************-*] 1
702 1 9 ARG H 1 22 CYS QB . . 3.500 7.508 7.382 7.619 4.119 18 20 [*****-***********+**] 1
703 1 9 ARG H 1 23 GLY QA . . 3.500 10.968 10.872 11.162 7.662 5 20 [****+*************-*] 1
704 1 9 ARG H 1 28 TYR HA . . 3.500 12.290 11.922 12.871 9.371 5 20 [****+************-**] 1
705 1 9 ARG H 1 29 CYS HA . . 3.500 11.931 11.635 12.354 8.854 5 20 [****+*************-*] 1
706 1 9 ARG HA 1 18 LYS QB . . 3.500 12.335 11.254 14.066 10.566 5 20 [****+******-********] 1
707 1 9 ARG QB 1 10 CYS HA . . 3.500 4.354 3.943 4.676 1.176 11 19 "[** ***-***+*********]" 1
708 1 9 ARG QB 1 11 SER HA . . 3.500 5.969 5.527 6.387 2.887 14 20 [********-****+******] 1
709 1 9 ARG QB 1 13 GLY QA . . 3.500 8.200 6.515 9.523 6.023 11 20 [**-*******+*********] 1
710 1 9 ARG QB 1 14 LEU H . . 3.500 8.101 7.173 8.720 5.220 14 20 [**-**********+******] 1
711 1 9 ARG QB 1 15 CYS H . . 3.500 9.426 8.952 9.849 6.349 5 20 [****+*********-*****] 1
712 1 9 ARG QB 1 16 CYS HA . . 3.500 7.829 7.448 8.479 4.979 5 20 [****+************-**] 1
713 1 9 ARG QB 1 17 SER H . . 3.500 9.518 9.139 10.126 6.626 5 20 [****+************-**] 1
714 1 9 ARG QB 1 17 SER HA . . 3.500 11.324 10.757 12.229 8.729 5 20 [****+*****-*********] 1
715 1 9 ARG QB 1 17 SER QB . . 3.500 10.742 10.406 11.260 7.760 5 20 [****+************-**] 1
716 1 9 ARG QB 1 17 SER HG . . 3.500 11.558 11.291 11.930 8.430 8 20 [*******+*********-**] 1
717 1 9 ARG QB 1 18 LYS H . . 3.500 12.805 12.174 13.736 10.236 5 20 [****+*****-*********] 1
718 1 9 ARG QB 1 18 LYS QG . . 3.500 12.552 11.625 13.794 10.294 8 20 [*******+****-*******] 1
719 1 9 ARG QB 1 19 TYR H . . 3.500 12.535 12.050 13.217 9.717 8 20 [*******+**-*********] 1
720 1 9 ARG QB 1 19 TYR HA . . 3.500 13.547 13.085 14.157 10.657 8 20 [*******+**-*********] 1
721 1 9 ARG QB 1 21 TYR H . . 3.500 10.819 10.549 11.156 7.656 8 20 [*******+*********-**] 1
722 1 9 ARG QB 1 21 TYR HA . . 3.500 9.910 9.425 10.093 6.593 1 20 [+*-*****************] 1
723 1 9 ARG QB 1 22 CYS HA . . 3.500 8.675 8.323 8.868 5.368 5 20 [**-*+***************] 1
724 1 9 ARG QB 1 24 SER HA . . 3.500 12.719 12.304 13.123 9.623 5 20 [****+*********-*****] 1
725 1 9 ARG QB 1 28 TYR HA . . 3.500 12.400 11.824 13.326 9.826 5 20 [****+************-**] 1
726 1 9 ARG QB 1 29 CYS H . . 3.500 13.292 12.707 14.285 10.785 5 20 [****+************-**] 1
727 1 9 ARG QG 1 10 CYS HA . . 3.500 5.047 3.602 6.023 2.523 8 19 "[***** -+************]" 1
728 1 9 ARG QG 1 11 SER HA . . 3.500 6.209 4.278 7.961 4.461 8 20 [*****-*+************] 1
729 1 9 ARG QG 1 15 CYS HA . . 3.500 7.250 6.008 9.378 5.878 8 20 [*******+*-**********] 1
730 1 9 ARG QG 1 17 SER HA . . 3.500 11.267 10.226 12.731 9.231 8 20 [*******+*********-**] 1
731 1 9 ARG QG 1 17 SER QB . . 3.500 10.866 10.128 11.982 8.482 8 20 [*******+*-**********] 1
732 1 9 ARG QG 1 17 SER HG . . 3.500 11.940 11.304 12.814 9.314 8 20 [*******+*-**********] 1
733 1 9 ARG QG 1 18 LYS H . . 3.500 12.857 11.669 14.120 10.620 8 20 [*******+*********-**] 1
734 1 9 ARG QG 1 19 TYR H . . 3.500 12.860 11.905 13.768 10.268 5 20 [****+************-**] 1
735 1 9 ARG QG 1 19 TYR HA . . 3.500 14.081 13.151 14.861 11.361 7 20 [******+**********-**] 1
736 1 9 ARG QG 1 21 TYR HA . . 3.500 10.672 10.244 11.180 7.680 9 20 [********+****-******] 1
737 1 9 ARG QG 1 22 CYS HA . . 3.500 8.918 8.158 10.054 6.554 8 20 [*******+**-*********] 1
738 1 9 ARG QG 1 24 SER HA . . 3.500 12.346 11.281 14.301 10.801 8 20 [*******+**-*********] 1
739 1 9 ARG QG 1 25 GLY QA . . 3.500 14.269 13.255 16.090 12.590 8 20 [*******+*-**********] 1
740 1 9 ARG QG 1 29 CYS H . . 3.500 12.727 11.458 14.899 11.399 8 20 [*******+*-**********] 1
741 1 9 ARG QD 1 14 LEU H . . 3.500 8.320 6.611 10.314 6.814 18 20 [***********-*****+**] 1
742 1 9 ARG QD 1 14 LEU HA . . 3.500 10.069 8.512 12.267 8.767 5 20 [****+******-********] 1
743 1 9 ARG QD 1 15 CYS H . . 3.500 9.903 8.105 12.223 8.723 5 20 [****+*************-*] 1
744 1 9 ARG QD 1 17 SER QB . . 3.500 11.683 10.171 13.088 9.588 5 20 [****+*************-*] 1
745 1 9 ARG QD 1 18 LYS H . . 3.500 13.769 11.890 15.407 11.907 5 20 [****+**********-****] 1
746 1 9 ARG QD 1 22 CYS HA . . 3.500 9.789 8.433 11.204 7.704 5 20 [****+*************-*] 1
747 1 9 ARG QD 1 25 GLY H . . 3.500 15.194 13.141 17.738 14.238 5 20 [****+*************-*] 1
748 1 9 ARG QD 1 29 CYS H . . 3.500 13.549 11.160 16.231 12.731 5 20 [****+*************-*] 1
749 1 9 ARG HE 1 22 CYS HA . . 3.500 11.790 8.419 13.325 9.825 8 20 [*****-*+************] 1
750 1 10 CYS H 1 14 LEU HA . . 3.500 7.331 7.007 7.632 4.132 14 20 [********-****+******] 1
751 1 10 CYS H 1 17 SER H . . 3.500 8.013 7.376 9.211 5.711 7 20 [******+**-**********] 1
752 1 10 CYS H 1 17 SER QB . . 3.500 9.511 8.965 10.533 7.033 7 20 [******+**-**********] 1
753 1 10 CYS H 1 17 SER HG . . 3.500 10.509 9.960 11.531 8.031 7 20 [******+**-**********] 1
754 1 10 CYS H 1 18 LYS QG . . 3.500 12.509 11.205 14.463 10.963 7 20 [******+*****-*******] 1
755 1 10 CYS H 1 19 TYR H . . 3.500 12.041 11.342 13.316 9.816 7 20 [******+**********-**] 1
756 1 10 CYS H 1 20 GLY QA . . 3.500 8.602 8.055 9.603 6.103 7 20 [******+**********-**] 1
757 1 10 CYS H 1 21 TYR H . . 3.500 10.164 9.624 11.170 7.670 7 20 [******+**-**********] 1
758 1 10 CYS H 1 25 GLY QA . . 3.500 13.168 12.773 14.023 10.523 3 20 [**+********-********] 1
759 1 10 CYS H 1 29 CYS QB . . 3.500 10.101 9.579 11.258 7.758 3 20 [**+********-********] 1
760 1 10 CYS HA 1 14 LEU HG . . 3.500 7.210 6.835 7.409 3.909 18 20 [****************-+**] 1
761 1 10 CYS HA 1 15 CYS H . . 3.500 7.099 6.682 7.408 3.908 2 20 [*+*****************-] 1
762 1 10 CYS HA 1 17 SER H . . 3.500 7.808 7.605 8.176 4.676 2 20 [*+****************-*] 1
763 1 10 CYS HA 1 17 SER HG . . 3.500 9.758 9.528 10.092 6.592 6 20 [****-+**************] 1
764 1 10 CYS HA 1 20 GLY QA . . 3.500 8.076 7.867 8.436 4.936 6 20 [*****+***********-**] 1
765 1 10 CYS HA 1 21 TYR QB . . 3.500 8.518 8.147 8.775 5.275 6 20 [****-+**************] 1
766 1 10 CYS HA 1 23 GLY QA . . 3.500 8.088 7.832 8.318 4.818 14 20 [*************+**-***] 1
767 1 10 CYS QB 1 17 SER H . . 3.500 6.047 5.880 6.413 2.913 17 20 [********-*******+***] 1
768 1 10 CYS QB 1 17 SER QB . . 3.500 7.183 7.040 7.485 3.985 17 20 [********-*******+***] 1
769 1 10 CYS QB 1 17 SER HG . . 3.500 8.012 7.824 8.361 4.861 17 20 [********-*******+***] 1
770 1 10 CYS QB 1 18 LYS H . . 3.500 9.904 9.720 10.257 6.757 17 20 [****************+*-*] 1
771 1 10 CYS QB 1 18 LYS HA . . 3.500 10.372 10.176 10.734 7.234 17 20 [****************+-**] 1
772 1 10 CYS QB 1 21 TYR H . . 3.500 8.034 7.821 8.436 4.936 17 20 [********-*******+***] 1
773 1 10 CYS QB 1 25 GLY H . . 3.500 9.705 9.472 9.881 6.381 14 20 [*************+****-*] 1
774 1 10 CYS QB 1 28 TYR H . . 3.500 9.896 9.596 10.204 6.704 3 20 [**+****************-] 1
775 1 10 CYS QB 1 28 TYR HA . . 3.500 8.370 8.097 8.717 5.217 3 20 [**+****************-] 1
776 1 10 CYS QB 1 29 CYS H . . 3.500 9.032 8.700 9.369 5.869 3 20 [**+****************-] 1
777 1 10 CYS QB 1 30 GLY H . . 3.500 10.445 10.096 10.826 7.326 3 20 [**+****************-] 1
778 1 10 CYS QB 1 11 SER HA . . 3.500 4.242 3.953 4.489 0.989 6 17 "[*****+****** **- **]" 1
779 1 10 CYS QB 1 15 CYS HA . . 3.500 3.571 3.176 4.043 0.543 3 2 "[ + - 1 . 2]" 1
780 1 10 CYS QB 1 16 CYS H . . 3.500 4.159 3.766 4.719 1.219 3 11 "[**+******1 -. * 2]" 1
781 1 10 CYS QB 1 21 TYR HA . . 3.500 6.838 6.591 7.204 3.704 17 20 [********-*******+***] 1
782 1 10 CYS QB 1 24 SER HA . . 3.500 7.373 7.155 7.553 4.053 14 20 [*************+****-*] 1
783 1 11 SER H 1 14 LEU HA . . 3.500 6.299 5.719 7.269 3.769 6 20 [*****+*************-] 1
784 1 11 SER H 1 17 SER H . . 3.500 8.832 8.361 9.696 6.196 6 20 [****-+**************] 1
785 1 11 SER H 1 17 SER QB . . 3.500 9.803 9.243 10.665 7.165 6 20 [****-+**************] 1
786 1 11 SER H 1 21 TYR H . . 3.500 10.474 9.797 11.187 7.687 6 20 [****-+**************] 1
787 1 11 SER H 1 25 GLY QA . . 3.500 12.897 12.312 13.886 10.386 6 20 [*****+*************-] 1
788 1 11 SER H 1 29 CYS QB . . 3.500 11.345 10.674 12.225 8.725 6 20 [*****+*************-] 1
789 1 11 SER HA 1 14 LEU QB . . 3.500 4.948 4.518 5.203 1.703 2 20 [*+*****************-] 1
790 1 11 SER HA 1 14 LEU HG . . 3.500 6.177 5.712 6.546 3.046 10 20 [*********+*********-] 1
791 1 11 SER HA 1 23 GLY QA . . 3.500 9.381 8.705 9.791 6.291 16 20 [****-**********+****] 1
792 1 11 SER QB 1 14 LEU QD . . 3.500 3.502 1.997 5.125 1.625 18 8 "[** .** -1 **. + 2]" 1
793 1 11 SER QB 1 15 CYS H . . 3.500 7.366 5.994 8.338 4.838 7 20 [******+************-] 1
794 1 11 SER QB 1 16 CYS H . . 3.500 9.019 8.077 10.002 6.502 7 20 [******+************-] 1
795 1 11 SER QB 1 17 SER H . . 3.500 10.094 9.001 10.867 7.367 14 20 [*******-*****+******] 1
796 1 11 SER QB 1 21 TYR H . . 3.500 11.434 10.083 12.339 8.839 14 20 [*******-*****+******] 1
797 1 11 SER QB 1 22 CYS HA . . 3.500 7.574 6.352 8.596 5.096 18 20 [*******-*********+**] 1
798 1 11 SER QB 1 23 GLY H . . 3.500 7.464 6.144 8.792 5.292 18 20 [*******-*********+**] 1
799 1 11 SER QB 1 29 CYS H . . 3.500 12.863 11.631 13.746 10.246 6 20 [*****+*************-] 1
800 1 12 GLY H 1 14 LEU HA . . 3.500 7.338 6.954 7.765 4.265 16 20 [**-************+****] 1
801 1 12 GLY H 1 15 CYS QB . . 3.500 10.052 9.788 10.426 6.926 5 20 [****+******-********] 1
802 1 12 GLY H 1 17 SER H . . 3.500 12.819 12.652 13.119 9.619 17 20 [********-*******+***] 1
803 1 12 GLY H 1 25 GLY QA . . 3.500 14.491 14.091 14.820 11.320 16 20 [******-********+****] 1
804 1 12 GLY H 1 29 CYS QB . . 3.500 12.571 12.108 13.285 9.785 5 20 [****+**************-] 1
805 1 12 GLY QA 1 14 LEU QD . . 3.500 4.348 3.256 5.700 2.200 10 10 "[ * - +** *** **]" 1
806 1 12 GLY QA 1 22 CYS HA . . 3.500 9.179 8.542 9.728 6.228 17 20 [********-*******+***] 1
807 1 12 GLY QA 1 23 GLY H . . 3.500 8.401 7.681 9.083 5.583 12 20 [***-*******+********] 1
808 1 13 GLY H 1 14 LEU HA . . 3.500 4.944 4.370 5.320 1.820 6 20 [****-+**************] 1
809 1 13 GLY H 1 15 CYS QB . . 3.500 7.866 6.940 8.634 5.134 3 20 [**+*******-*********] 1
810 1 13 GLY H 1 17 SER H . . 3.500 11.698 11.253 12.207 8.707 17 20 [***************-+***] 1
811 1 13 GLY H 1 25 GLY QA . . 3.500 12.226 11.507 13.037 9.537 9 20 [********+**********-] 1
812 1 13 GLY H 1 29 CYS QB . . 3.500 9.822 8.520 11.017 7.517 3 20 [**+*******-*********] 1
813 1 13 GLY QA 1 22 CYS HA . . 3.500 8.801 8.360 9.103 5.603 20 20 [******-************+] 1
814 1 13 GLY QA 1 15 CYS H . . 3.500 5.941 5.893 5.992 2.492 16 20 [*******-*******+****] 1
815 1 13 GLY QA 1 16 CYS H . . 3.500 7.971 7.577 8.422 4.922 16 20 [******-********+****] 1
816 1 13 GLY QA 1 23 GLY H . . 3.500 7.715 7.577 7.786 4.286 17 20 [******-*********+***] 1
817 1 14 LEU H 1 15 CYS HA . . 3.500 5.286 5.167 5.412 1.912 3 20 [**+***************-*] 1
818 1 14 LEU H 1 15 CYS QB . . 3.500 6.226 6.097 6.338 2.838 9 20 [********+*********-*] 1
819 1 14 LEU H 1 16 CYS H . . 3.500 7.163 6.964 7.305 3.805 17 20 [****************+-**] 1
820 1 14 LEU H 1 16 CYS HA . . 3.500 7.866 7.618 8.094 4.594 20 20 [******-************+] 1
821 1 14 LEU H 1 17 SER H . . 3.500 9.599 9.332 9.804 6.304 20 20 [******-************+] 1
822 1 14 LEU H 1 17 SER HA . . 3.500 11.164 11.030 11.328 7.828 17 20 [******-*********+***] 1
823 1 14 LEU H 1 17 SER HG . . 3.500 11.664 11.325 11.906 8.406 20 20 [******-************+] 1
824 1 14 LEU H 1 22 CYS HA . . 3.500 7.087 6.708 7.377 3.877 20 20 [******-************+] 1
825 1 14 LEU H 1 23 GLY QA . . 3.500 6.726 6.445 6.890 3.390 10 20 [******-**+**********] 1
826 1 14 LEU H 1 25 GLY QA . . 3.500 10.627 10.337 10.851 7.351 9 20 [********+**********-] 1
827 1 14 LEU H 1 28 TYR HA . . 3.500 10.764 10.603 10.880 7.380 17 20 [****************+**-] 1
828 1 14 LEU H 1 28 TYR QB . . 3.500 7.844 7.669 7.947 4.447 9 20 [********+**********-] 1
829 1 14 LEU H 1 29 CYS H . . 3.500 10.296 9.930 10.559 7.059 9 20 [********+**********-] 1
830 1 14 LEU H 1 29 CYS QB . . 3.500 8.722 8.276 9.089 5.589 3 20 [**+****************-] 1
831 1 14 LEU HA 1 22 CYS H . . 3.500 8.538 8.391 8.657 5.157 6 20 [*****+*************-] 1
832 1 14 LEU HA 1 22 CYS HA . . 3.500 6.330 6.207 6.430 2.930 17 20 [****************+**-] 1
833 1 14 LEU HA 1 25 GLY H . . 3.500 6.768 6.458 7.065 3.565 9 20 [********+**********-] 1
834 1 14 LEU QB 1 17 SER HA . . 3.500 7.832 7.652 7.945 4.445 20 20 [******-************+] 1
835 1 14 LEU QB 1 17 SER QB . . 3.500 6.707 6.503 6.851 3.351 20 20 [******-************+] 1
836 1 14 LEU QB 1 17 SER HG . . 3.500 7.909 7.720 8.054 4.554 20 20 [******-************+] 1
837 1 14 LEU QB 1 20 GLY H . . 3.500 9.782 9.632 9.884 6.384 19 20 [********-*********+*] 1
838 1 14 LEU QB 1 21 TYR H . . 3.500 8.503 8.345 8.641 5.141 17 20 [********-*******+***] 1
839 1 14 LEU QB 1 21 TYR HA . . 3.500 7.409 7.251 7.532 4.032 17 20 [********-*******+***] 1
840 1 14 LEU QB 1 22 CYS H . . 3.500 5.582 5.434 5.705 2.205 17 20 [********-*******+***] 1
841 1 14 LEU QB 1 24 SER H . . 3.500 5.457 5.122 5.666 2.166 20 20 [******-************+] 1
842 1 14 LEU QB 1 24 SER HA . . 3.500 4.937 4.643 5.121 1.621 20 20 [******-************+] 1
843 1 14 LEU QB 1 25 GLY H . . 3.500 7.351 7.084 7.516 4.016 20 20 [******-************+] 1
844 1 14 LEU QB 1 25 GLY QA . . 3.500 8.135 7.876 8.285 4.785 20 20 [******-************+] 1
845 1 14 LEU QB 1 29 CYS HA . . 3.500 7.272 7.164 7.332 3.832 16 20 [******-********+****] 1
846 1 14 LEU QB 1 17 SER H . . 3.500 6.328 6.201 6.429 2.929 20 20 [******-************+] 1
847 1 14 LEU QB 1 18 LYS H . . 3.500 9.950 9.760 10.076 6.576 20 20 [******-************+] 1
848 1 14 LEU QB 1 30 GLY H . . 3.500 9.593 9.411 9.690 6.190 16 20 [******-********+****] 1
849 1 14 LEU HG 1 15 CYS HA . . 3.500 6.654 6.610 6.685 3.185 1 20 [+*****************-*] 1
850 1 14 LEU HG 1 16 CYS HA . . 3.500 8.378 8.319 8.462 4.962 19 20 [********-*********+*] 1
851 1 14 LEU HG 1 17 SER H . . 3.500 9.652 9.545 9.743 6.243 12 20 [******-****+********] 1
852 1 14 LEU HG 1 17 SER HA . . 3.500 11.226 11.070 11.354 7.854 17 20 [******-*********+***] 1
853 1 14 LEU HG 1 17 SER HG . . 3.500 11.141 10.989 11.275 7.775 17 20 [******-*********+***] 1
854 1 14 LEU HG 1 21 TYR H . . 3.500 11.875 11.739 11.992 8.492 17 20 [********-*******+***] 1
855 1 14 LEU HG 1 21 TYR HA . . 3.500 10.370 10.223 10.487 6.987 19 20 [********-*********+*] 1
856 1 14 LEU HG 1 22 CYS HA . . 3.500 6.852 6.711 6.945 3.445 19 20 [********-*********+*] 1
857 1 14 LEU HG 1 24 SER HA . . 3.500 6.409 6.149 6.568 3.068 17 20 [******-*********+***] 1
858 1 14 LEU HG 1 28 TYR QB . . 3.500 7.496 7.311 7.621 4.121 17 20 [******-*********+***] 1
859 1 14 LEU HG 1 29 CYS HA . . 3.500 9.934 9.809 10.059 6.559 17 20 [*****-**********+***] 1
860 1 14 LEU QD 1 26 PRO QD . . 3.500 7.817 7.518 8.006 4.506 19 20 [******-***********+*] 1
861 1 14 LEU QD 1 30 GLY QA . . 3.500 9.115 8.889 9.275 5.775 19 20 [******-***********+*] 1
862 1 15 CYS H 1 16 CYS HA . . 3.500 4.973 4.835 5.108 1.608 3 20 [**+****************-] 1
863 1 15 CYS H 1 17 SER H . . 3.500 6.112 5.950 6.244 2.744 3 20 [**+***********-*****] 1
864 1 15 CYS H 1 17 SER HA . . 3.500 7.043 6.925 7.126 3.626 3 20 [**+****************-] 1
865 1 15 CYS H 1 17 SER HG . . 3.500 8.094 7.902 8.234 4.734 3 20 [**+***********-*****] 1
866 1 15 CYS H 1 18 LYS HA . . 3.500 10.949 10.832 11.041 7.541 3 20 [**+****************-] 1
867 1 15 CYS H 1 19 TYR H . . 3.500 10.237 10.076 10.357 6.857 3 20 [**+***********-*****] 1
868 1 15 CYS H 1 21 TYR H . . 3.500 9.039 8.812 9.207 5.707 3 20 [**+****************-] 1
869 1 15 CYS H 1 21 TYR QB . . 3.500 7.852 7.655 8.006 4.506 3 20 [**+****************-] 1
870 1 15 CYS H 1 23 GLY QA . . 3.500 4.029 3.901 4.129 0.629 3 10 "[**+******1 . - 2]" 1
871 1 15 CYS H 1 25 GLY QA . . 3.500 7.320 7.231 7.378 3.878 20 20 [******-************+] 1
872 1 15 CYS H 1 26 PRO QB . . 3.500 10.208 10.091 10.282 6.782 15 20 [******-*******+*****] 1
873 1 15 CYS H 1 26 PRO QG . . 3.500 10.716 10.613 10.776 7.276 16 20 [******-********+****] 1
874 1 15 CYS H 1 27 ALA HA . . 3.500 10.234 10.167 10.284 6.784 17 20 [****************+**-] 1
875 1 15 CYS H 1 28 TYR HA . . 3.500 6.323 6.201 6.390 2.890 9 20 [********+**********-] 1
876 1 15 CYS H 1 29 CYS QB . . 3.500 5.978 5.814 6.100 2.600 15 20 [******-*******+*****] 1
877 1 15 CYS HA 1 17 SER H . . 3.500 6.001 5.971 6.035 2.535 17 20 [**************-*+***] 1
878 1 15 CYS HA 1 17 SER HG . . 3.500 8.634 8.593 8.673 5.173 17 20 [**************-*+***] 1
879 1 15 CYS HA 1 18 LYS H . . 3.500 9.166 9.118 9.199 5.699 6 20 [*****+***********-**] 1
880 1 15 CYS HA 1 18 LYS QB . . 3.500 10.184 9.928 10.568 7.068 17 20 [*******-********+***] 1
881 1 15 CYS HA 1 18 LYS QG . . 3.500 10.299 9.160 11.328 7.828 7 20 [******+*****-*******] 1
882 1 15 CYS HA 1 19 TYR H . . 3.500 10.117 10.082 10.147 6.647 17 20 [****************+-**] 1
883 1 15 CYS HA 1 22 CYS HA . . 3.500 5.104 5.000 5.154 1.654 1 20 [+******************-] 1
884 1 15 CYS HA 1 24 SER H . . 3.500 7.673 7.625 7.704 4.204 7 20 [******+*******-*****] 1
885 1 15 CYS HA 1 25 GLY H . . 3.500 8.202 8.166 8.251 4.751 20 20 [****************-**+] 1
886 1 15 CYS HA 1 26 PRO QB . . 3.500 10.549 10.480 10.575 7.075 6 20 [*****+***********-**] 1
887 1 15 CYS HA 1 28 TYR QB . . 3.500 4.695 4.619 4.738 1.238 6 20 [*****+***********-**] 1
888 1 15 CYS HA 1 29 CYS H . . 3.500 6.417 6.355 6.448 2.948 6 20 [*****+***********-**] 1
889 1 15 CYS HA 1 30 GLY H . . 3.500 7.786 7.717 7.810 4.310 6 20 [*****+***********-**] 1
890 1 15 CYS QB 1 17 SER QB . . 3.500 5.181 5.152 5.207 1.707 17 20 [********-*******+***] 1
891 1 15 CYS QB 1 17 SER HG . . 3.500 7.079 7.058 7.097 3.597 8 20 [*******+-***********] 1
892 1 15 CYS QB 1 18 LYS H . . 3.500 6.944 6.930 6.959 3.459 17 20 [**************-*+***] 1
893 1 15 CYS QB 1 18 LYS QG . . 3.500 8.162 6.992 9.241 5.741 7 20 [******+**********-**] 1
894 1 15 CYS QB 1 19 TYR H . . 3.500 8.216 8.199 8.233 4.733 17 20 [**************-*+***] 1
895 1 15 CYS QB 1 21 TYR H . . 3.500 7.988 7.961 8.022 4.522 17 20 [****************+**-] 1
896 1 15 CYS QB 1 22 CYS H . . 3.500 7.432 7.382 7.466 3.966 6 20 [*****+***********-**] 1
897 1 15 CYS QB 1 25 GLY H . . 3.500 5.240 5.179 5.364 1.864 20 20 [********-**********+] 1
898 1 15 CYS QB 1 30 GLY H . . 3.500 4.862 4.804 4.894 1.394 1 20 [+******************-] 1
899 1 15 CYS QB 1 22 CYS HA . . 3.500 4.907 4.846 4.943 1.443 6 20 [*****+***********-**] 1
900 1 16 CYS H 1 17 SER HA . . 3.500 5.264 5.234 5.311 1.811 20 20 [****************-**+] 1
901 1 16 CYS H 1 17 SER HG . . 3.500 7.320 7.307 7.333 3.833 13 20 [****-*******+*******] 1
902 1 16 CYS H 1 18 LYS HA . . 3.500 7.893 7.849 7.945 4.445 20 20 [****************-**+] 1
903 1 16 CYS H 1 18 LYS QB . . 3.500 8.556 8.297 8.908 5.408 18 20 [*******-*********+**] 1
904 1 16 CYS H 1 18 LYS QG . . 3.500 8.597 7.554 9.517 6.017 19 20 [****************-*+*] 1
905 1 16 CYS H 1 19 TYR QB . . 3.500 9.289 9.276 9.298 5.798 2 20 [*+**************-***] 1
906 1 16 CYS H 1 23 GLY QA . . 3.500 6.772 6.755 6.785 3.285 6 20 [*****+**********-***] 1
907 1 16 CYS H 1 24 SER QB . . 3.500 8.529 8.468 8.616 5.116 20 20 [****************-**+] 1
908 1 16 CYS H 1 25 GLY QA . . 3.500 9.449 9.389 9.557 6.057 20 20 [-******************+] 1
909 1 16 CYS HA 1 18 LYS QB . . 3.500 7.755 7.597 8.000 4.500 17 20 [****************+*-*] 1
910 1 16 CYS HA 1 18 LYS QG . . 3.500 7.995 7.295 8.653 5.153 7 20 [******+*********-***] 1
911 1 16 CYS HA 1 23 GLY QA . . 3.500 5.636 5.588 5.674 2.174 15 20 [**************+*-***] 1
912 1 16 CYS HA 1 25 GLY H . . 3.500 10.039 9.972 10.127 6.627 20 20 [****************-**+] 1
913 1 16 CYS HA 1 30 GLY H . . 3.500 9.135 9.111 9.164 5.664 20 20 [****************-**+] 1
914 1 16 CYS QB 1 18 LYS H . . 3.500 6.159 6.093 6.237 2.737 9 20 [****-***+***********] 1
915 1 16 CYS QB 1 19 TYR H . . 3.500 6.522 6.450 6.612 3.112 9 20 [****-***+***********] 1
916 1 17 SER H 1 18 LYS QB . . 3.500 6.221 6.094 6.436 2.936 17 20 [****************+*-*] 1
917 1 17 SER H 1 20 GLY QA . . 3.500 4.289 4.273 4.310 0.810 17 20 [*-**************+***] 1
918 1 17 SER H 1 24 SER HA . . 3.500 7.879 7.826 7.969 4.469 20 20 [-******************+] 1
919 1 17 SER H 1 24 SER QB . . 3.500 8.693 8.658 8.752 5.252 20 20 [-******************+] 1
920 1 17 SER H 1 25 GLY H . . 3.500 10.022 9.976 10.096 6.596 20 20 [-******************+] 1
921 1 17 SER H 1 25 GLY QA . . 3.500 9.278 9.243 9.335 5.835 18 20 [********-********+**] 1
922 1 17 SER H 1 27 ALA MB . . 3.500 7.426 7.377 7.448 3.948 9 20 [********+********-**] 1
923 1 17 SER H 1 28 TYR H . . 3.500 7.556 7.543 7.565 4.065 19 20 [****************-*+*] 1
924 1 17 SER H 1 29 CYS H . . 3.500 7.690 7.676 7.714 4.214 20 20 [-******************+] 1
925 1 17 SER H 1 29 CYS HA . . 3.500 7.399 7.371 7.453 3.953 18 20 [-****************+**] 1
926 1 17 SER H 1 29 CYS QB . . 3.500 8.585 8.560 8.643 5.143 18 20 [*-***************+**] 1
927 1 17 SER HA 1 18 LYS QB . . 3.500 4.408 4.193 4.804 1.304 17 20 [***************-+***] 1
928 1 17 SER HA 1 18 LYS QG . . 3.500 4.893 3.654 5.914 2.414 7 15 "[**-*.*+* *** *** **]" 1
929 1 17 SER HA 1 18 LYS QD . . 3.500 5.849 3.696 6.643 3.143 8 19 "[*******+-******* ***]" 1
930 1 17 SER HA 1 19 TYR QB . . 3.500 5.461 5.444 5.479 1.979 2 20 [*+**************-***] 1
931 1 17 SER HA 1 20 GLY QA . . 3.500 5.832 5.824 5.846 2.346 17 20 [*-**************+***] 1
932 1 17 SER HA 1 23 GLY QA . . 3.500 6.175 6.121 6.230 2.730 18 20 [********-********+**] 1
933 1 17 SER HA 1 26 PRO QB . . 3.500 9.157 9.149 9.165 5.665 19 20 [********-*********+*] 1
934 1 17 SER HA 1 26 PRO QG . . 3.500 9.770 9.736 9.806 6.306 18 20 [********-********+**] 1
935 1 17 SER HA 1 26 PRO QD . . 3.500 8.895 8.840 8.960 5.460 18 20 [********-********+**] 1
936 1 17 SER HA 1 27 ALA H . . 3.500 7.474 7.438 7.517 4.017 18 20 [********-********+**] 1
937 1 17 SER HA 1 28 TYR QB . . 3.500 3.955 3.920 4.005 0.505 18 2 "[ . 1 . + -]" 1
938 1 17 SER QB 1 18 LYS QB . . 3.500 4.155 4.048 4.600 1.100 2 20 [*+************-*****] 1
939 1 17 SER QB 1 18 LYS QG . . 3.500 4.959 3.431 5.725 2.225 16 18 "[* ********* ***+*-**]" 1
940 1 17 SER QB 1 22 CYS HA . . 3.500 4.125 4.094 4.145 0.645 5 20 [****+**************-] 1
941 1 17 SER QB 1 26 PRO QB . . 3.500 8.801 8.774 8.817 5.317 9 20 [********+**********-] 1
942 1 17 SER QB 1 28 TYR QB . . 3.500 3.794 3.781 3.811 0.311 18 0 "[ . 1 . 2]" 1
943 1 17 SER QB 1 29 CYS H . . 3.500 6.332 6.325 6.341 2.841 17 20 [**************-*+***] 1
944 1 17 SER QB 1 18 LYS QD . . 3.500 5.776 3.491 6.356 2.856 8 19 "[*******+-******* ***]" 1
945 1 17 SER QB 1 25 GLY H . . 3.500 8.239 8.190 8.309 4.809 18 20 [********-********+**] 1
946 1 17 SER HG 1 18 LYS HA . . 3.500 5.829 5.825 5.835 2.335 13 20 [************+***-***] 1
947 1 17 SER HG 1 18 LYS QB . . 3.500 5.733 5.643 6.189 2.689 12 20 [-**********+********] 1
948 1 17 SER HG 1 18 LYS QG . . 3.500 6.512 5.022 7.040 3.540 16 20 [*-*************+****] 1
949 1 17 SER HG 1 18 LYS QD . . 3.500 7.658 5.649 8.164 4.664 8 20 [*******+********-***] 1
950 1 17 SER HG 1 20 GLY QA . . 3.500 4.443 4.433 4.464 0.964 20 20 [********-**********+] 1
951 1 17 SER HG 1 21 TYR HA . . 3.500 3.803 3.780 3.824 0.324 20 0 "[ . 1 . 2]" 1
952 1 17 SER HG 1 22 CYS H . . 3.500 4.641 4.620 4.661 1.161 20 20 [*-*****************+] 1
953 1 17 SER HG 1 22 CYS HA . . 3.500 4.655 4.648 4.668 1.168 9 20 [********+********-**] 1
954 1 17 SER HG 1 23 GLY H . . 3.500 5.995 5.942 6.087 2.587 17 20 [*-**************+***] 1
955 1 17 SER HG 1 23 GLY QA . . 3.500 5.546 5.503 5.594 2.094 18 20 [********-********+**] 1
956 1 17 SER HG 1 24 SER HA . . 3.500 9.057 9.011 9.125 5.625 18 20 [-****************+**] 1
957 1 17 SER HG 1 24 SER QB . . 3.500 9.302 9.274 9.343 5.843 18 20 [********-********+**] 1
958 1 17 SER HG 1 25 GLY H . . 3.500 10.923 10.886 10.979 7.479 18 20 [********-********+**] 1
959 1 17 SER HG 1 25 GLY QA . . 3.500 9.609 9.571 9.657 6.157 17 20 [********-*******+***] 1
960 1 17 SER HG 1 26 PRO QG . . 3.500 11.998 11.977 12.018 8.518 17 20 [****************+**-] 1
961 1 17 SER HG 1 26 PRO QD . . 3.500 10.774 10.753 10.808 7.308 17 20 [********-*******+***] 1
962 1 17 SER HG 1 27 ALA H . . 3.500 9.883 9.845 9.903 6.403 1 20 [+******************-] 1
963 1 17 SER HG 1 27 ALA HA . . 3.500 9.248 9.181 9.293 5.793 1 20 [+******************-] 1
964 1 17 SER HG 1 28 TYR HA . . 3.500 5.791 5.774 5.808 2.308 9 20 [********+**********-] 1
965 1 17 SER HG 1 28 TYR QB . . 3.500 5.848 5.845 5.856 2.356 17 20 [**************-*+***] 1
966 1 17 SER HG 1 29 CYS H . . 3.500 9.092 9.082 9.102 5.602 9 20 [********+**********-] 1
967 1 17 SER HG 1 29 CYS HA . . 3.500 9.553 9.539 9.582 6.082 18 20 [-****************+**] 1
968 1 17 SER HG 1 29 CYS QB . . 3.500 10.234 10.218 10.275 6.775 18 20 [*-***************+**] 1
969 1 17 SER HG 1 30 GLY H . . 3.500 10.248 10.224 10.272 6.772 9 20 [********+********-**] 1
970 1 17 SER HG 1 30 GLY QA . . 3.500 10.634 10.315 10.961 7.461 9 20 [********+**********-] 1
971 1 18 LYS H 1 19 TYR QB . . 3.500 4.349 4.326 4.364 0.864 9 20 [********+*******-***] 1
972 1 18 LYS H 1 20 GLY QA . . 3.500 5.839 5.835 5.843 2.343 17 20 [********-*******+***] 1
973 1 18 LYS H 1 21 TYR H . . 3.500 5.111 5.097 5.125 1.625 8 20 [*******+***********-] 1
974 1 18 LYS H 1 21 TYR QB . . 3.500 5.966 5.958 5.976 2.476 20 20 [***-***************+] 1
975 1 18 LYS H 1 22 CYS HA . . 3.500 7.454 7.397 7.492 3.992 1 20 [+******************-] 1
976 1 18 LYS H 1 22 CYS QB . . 3.500 8.920 8.888 8.936 5.436 1 20 [+******************-] 1
977 1 18 LYS H 1 23 GLY QA . . 3.500 7.830 7.766 7.896 4.396 18 20 [********-********+**] 1
978 1 18 LYS H 1 24 SER HA . . 3.500 9.825 9.747 9.936 6.436 18 20 [********-********+**] 1
979 1 18 LYS H 1 24 SER QB . . 3.500 10.475 10.409 10.557 7.057 18 20 [********-********+**] 1
980 1 18 LYS H 1 26 PRO QB . . 3.500 9.758 9.731 9.779 6.279 18 20 [********-********+**] 1
981 1 18 LYS H 1 26 PRO QG . . 3.500 10.290 10.232 10.345 6.845 18 20 [********-********+**] 1
982 1 18 LYS H 1 26 PRO QD . . 3.500 9.684 9.604 9.769 6.269 18 20 [********-********+**] 1
983 1 18 LYS H 1 28 TYR QB . . 3.500 5.907 5.861 5.966 2.466 18 20 [********-********+**] 1
984 1 18 LYS H 1 29 CYS QB . . 3.500 9.052 9.029 9.118 5.618 18 20 [*-***************+**] 1
985 1 18 LYS H 1 30 GLY H . . 3.500 7.911 7.890 7.936 4.436 20 20 [********-**********+] 1
986 1 18 LYS H 1 30 GLY QA . . 3.500 7.959 7.591 8.338 4.838 6 20 [*****+*******-******] 1
987 1 18 LYS HA 1 19 TYR QB . . 3.500 5.253 5.239 5.262 1.762 9 20 [********+*******-***] 1
988 1 18 LYS HA 1 21 TYR QD . . 3.500 7.309 6.797 7.808 4.308 18 20 [***********-*****+**] 1
989 1 18 LYS HA 1 22 CYS HA . . 3.500 8.606 8.553 8.649 5.149 1 20 [+****************-**] 1
990 1 18 LYS HA 1 22 CYS QB . . 3.500 9.924 9.881 9.951 6.451 1 20 [+******************-] 1
991 1 18 LYS HA 1 23 GLY H . . 3.500 9.949 9.906 10.037 6.537 17 20 [********-*******+***] 1
992 1 18 LYS HA 1 26 PRO QB . . 3.500 11.565 11.521 11.607 8.107 18 20 [********-********+**] 1
993 1 18 LYS HA 1 27 ALA H . . 3.500 10.658 10.573 10.750 7.250 18 20 [********-********+**] 1
994 1 18 LYS HA 1 29 CYS H . . 3.500 9.595 9.540 9.677 6.177 18 20 [********-********+**] 1
995 1 18 LYS QB 1 19 TYR HA . . 3.500 4.223 4.083 4.498 0.998 12 20 [***********+**-*****] 1
996 1 18 LYS QB 1 22 CYS HA . . 3.500 8.867 8.684 9.099 5.599 2 20 [*+*****************-] 1
997 1 18 LYS QB 1 26 PRO HA . . 3.500 10.014 9.682 10.582 7.082 17 20 [******-*********+***] 1
998 1 18 LYS QB 1 27 ALA H . . 3.500 8.544 8.232 9.110 5.610 17 20 [***-************+***] 1
999 1 18 LYS QB 1 27 ALA HA . . 3.500 6.455 6.138 7.033 3.533 17 20 [***-************+***] 1
1000 1 18 LYS QB 1 28 TYR HA . . 3.500 5.749 5.446 6.284 2.784 17 20 [***-************+***] 1
1001 1 18 LYS QB 1 29 CYS H . . 3.500 8.497 8.167 9.061 5.561 17 20 [-***************+***] 1
1002 1 18 LYS QB 1 29 CYS HA . . 3.500 8.885 8.534 9.435 5.935 18 20 [*******-*********+**] 1
1003 1 18 LYS QB 1 21 TYR H . . 3.500 6.064 6.000 6.415 2.915 12 20 [*****-*****+********] 1
1004 1 18 LYS QB 1 28 TYR H . . 3.500 7.642 7.319 8.217 4.717 17 20 [***-************+***] 1
1005 1 18 LYS QB 1 30 GLY H . . 3.500 8.243 7.893 8.821 5.321 17 20 [******-*********+***] 1
1006 1 18 LYS QG 1 19 TYR HA . . 3.500 4.856 3.648 5.902 2.402 17 17 "[ *****-*** ****+***]" 1
1007 1 18 LYS QG 1 19 TYR QB . . 3.500 5.328 3.510 5.975 2.475 15 18 "[- ********* **+*****]" 1
1008 1 18 LYS QG 1 20 GLY QA . . 3.500 6.217 5.922 6.694 3.194 5 20 [****+*************-*] 1
1009 1 18 LYS QG 1 21 TYR H . . 3.500 6.683 5.520 6.937 3.437 14 20 [*-***********+******] 1
1010 1 18 LYS QG 1 21 TYR HA . . 3.500 9.207 8.079 9.494 5.994 16 20 [*-*************+****] 1
1011 1 18 LYS QG 1 21 TYR QD . . 3.500 7.514 5.768 8.087 4.587 11 20 [**********+-********] 1
1012 1 18 LYS QG 1 22 CYS H . . 3.500 10.162 9.082 10.607 7.107 16 20 [*-*************+****] 1
1013 1 18 LYS QG 1 22 CYS HA . . 3.500 9.306 8.514 9.961 6.461 1 20 [+-******************] 1
1014 1 18 LYS QG 1 23 GLY QA . . 3.500 9.651 8.267 10.503 7.003 20 20 [*-*****************+] 1
1015 1 18 LYS QG 1 25 GLY QA . . 3.500 10.298 8.968 11.477 7.977 8 20 [****-**+************] 1
1016 1 18 LYS QG 1 26 PRO HA . . 3.500 10.334 8.687 11.795 8.295 19 20 [*****************-+*] 1
1017 1 18 LYS QG 1 26 PRO QD . . 3.500 10.319 8.933 11.522 8.022 8 20 [****-**+************] 1
1018 1 18 LYS QG 1 27 ALA HA . . 3.500 6.931 5.353 8.310 4.810 8 20 [*******+****-*******] 1
1019 1 18 LYS QG 1 28 TYR H . . 3.500 8.121 6.565 9.528 6.028 19 20 [****-*************+*] 1
1020 1 18 LYS QG 1 28 TYR HA . . 3.500 6.230 4.771 7.546 4.046 10 20 [*********+*******-**] 1
1021 1 18 LYS QG 1 28 TYR QB . . 3.500 7.608 6.402 8.706 5.206 10 20 [*********+*******-**] 1
1022 1 18 LYS QG 1 29 CYS HA . . 3.500 8.979 7.515 10.329 6.829 7 20 [******+*********-***] 1
1023 1 18 LYS QG 1 29 CYS QB . . 3.500 9.622 8.256 10.892 7.392 19 20 [****-*************+*] 1
1024 1 18 LYS QG 1 30 GLY H . . 3.500 8.445 6.823 9.931 6.431 19 20 [****-*************+*] 1
1025 1 18 LYS QG 1 30 GLY QA . . 3.500 7.724 5.967 9.376 5.876 8 20 [****-**+************] 1
1026 1 18 LYS QG 1 20 GLY H . . 3.500 5.088 4.569 5.463 1.963 5 20 [*-**+***************] 1
1027 1 18 LYS QG 1 27 ALA H . . 3.500 9.099 7.558 10.457 6.957 8 20 [****-**+************] 1
1028 1 18 LYS QG 1 29 CYS H . . 3.500 8.822 7.252 10.254 6.754 19 20 [****-*************+*] 1
1029 1 18 LYS QD 1 19 TYR HA . . 3.500 6.018 4.719 6.525 3.025 9 20 [*-******+***********] 1
1030 1 18 LYS QD 1 20 GLY H . . 3.500 6.454 5.595 6.837 3.337 15 20 [****-*********+*****] 1
1031 1 18 LYS QD 1 21 TYR H . . 3.500 7.983 6.514 8.382 4.882 8 20 [*******+********-***] 1
1032 1 18 LYS QD 1 21 TYR HA . . 3.500 10.536 8.914 10.988 7.488 8 20 [*******+********-***] 1
1033 1 18 LYS QD 1 22 CYS HA . . 3.500 10.483 8.412 11.232 7.732 8 20 [*******+********-***] 1
1034 1 18 LYS QD 1 26 PRO HA . . 3.500 10.145 7.833 11.121 7.621 8 20 [*******+********-***] 1
1035 1 18 LYS QD 1 28 TYR QE . . 3.500 7.971 5.506 8.734 5.234 10 20 [*********+******-***] 1
1036 1 18 LYS QD 1 29 CYS H . . 3.500 9.038 6.546 10.062 6.562 8 20 [*******+********-***] 1
1037 1 18 LYS QE 1 28 TYR HA . . 3.500 7.275 5.065 8.550 5.050 20 20 [**************-****+] 1
1038 1 19 TYR H 1 21 TYR HA . . 3.500 6.093 6.070 6.107 2.607 13 20 [*-**********+*******] 1
1039 1 19 TYR H 1 22 CYS H . . 3.500 7.394 7.383 7.407 3.907 9 20 [*-******+***********] 1
1040 1 19 TYR H 1 22 CYS HA . . 3.500 7.177 7.148 7.198 3.698 9 20 [********+**********-] 1
1041 1 19 TYR H 1 22 CYS QB . . 3.500 8.493 8.478 8.508 5.008 9 20 [********+**********-] 1
1042 1 19 TYR H 1 23 GLY H . . 3.500 8.558 8.503 8.662 5.162 17 20 [********-*******+***] 1
1043 1 19 TYR H 1 25 GLY H . . 3.500 12.564 12.493 12.658 9.158 18 20 [********-********+**] 1
1044 1 19 TYR H 1 25 GLY QA . . 3.500 10.733 10.659 10.823 7.323 18 20 [********-********+**] 1
1045 1 19 TYR H 1 27 ALA H . . 3.500 10.245 10.201 10.290 6.790 18 20 [********-********+**] 1
1046 1 19 TYR H 1 27 ALA HA . . 3.500 8.760 8.741 8.778 5.278 1 20 [+***********-*******] 1
1047 1 19 TYR H 1 28 TYR HA . . 3.500 6.241 6.213 6.285 2.785 18 20 [********-********+**] 1
1048 1 19 TYR H 1 28 TYR QB . . 3.500 7.175 7.145 7.213 3.713 18 20 [********-********+**] 1
1049 1 19 TYR H 1 29 CYS H . . 3.500 9.765 9.736 9.809 6.309 18 20 [********-********+**] 1
1050 1 19 TYR H 1 29 CYS HA . . 3.500 10.127 10.106 10.188 6.688 18 20 [********-********+**] 1
1051 1 19 TYR H 1 30 GLY QA . . 3.500 10.210 9.842 10.588 7.088 6 20 [***-*+**************] 1
1052 1 19 TYR HA 1 21 TYR QB . . 3.500 5.721 5.674 5.777 2.277 1 20 [+*******-***********] 1
1053 1 19 TYR QB 1 25 GLY H . . 3.500 12.311 12.264 12.363 8.863 18 20 [********-********+**] 1
1054 1 19 TYR QB 1 28 TYR HA . . 3.500 7.254 7.236 7.271 3.771 6 20 [*****+************-*] 1
1055 1 19 TYR QB 1 30 GLY H . . 3.500 11.114 11.082 11.141 7.641 1 20 [+***************-***] 1
1056 1 19 TYR QB 1 22 CYS H . . 3.500 6.613 6.594 6.637 3.137 20 20 [*-*****************+] 1
1057 1 19 TYR QB 1 22 CYS HA . . 3.500 7.231 7.219 7.247 3.747 1 20 [+******************-] 1
1058 1 19 TYR QD 1 26 PRO QG . . 3.500 11.489 11.362 11.644 8.144 18 20 [********-********+**] 1
1059 1 20 GLY QA 1 22 CYS HA . . 3.500 5.986 5.973 6.004 2.504 19 20 [****-*************+*] 1
1060 1 20 GLY QA 1 23 GLY H . . 3.500 7.968 7.918 8.019 4.519 17 20 [*-**************+***] 1
1061 1 21 TYR H 1 22 CYS HA . . 3.500 5.120 5.085 5.137 1.637 1 20 [+******************-] 1
1062 1 21 TYR H 1 23 GLY QA . . 3.500 6.852 6.815 6.896 3.396 17 20 [********-*******+***] 1
1063 1 21 TYR H 1 25 GLY H . . 3.500 12.584 12.545 12.632 9.132 18 20 [********-********+**] 1
1064 1 21 TYR H 1 25 GLY QA . . 3.500 11.239 11.197 11.291 7.791 17 20 [********-*******+***] 1
1065 1 21 TYR H 1 27 ALA HA . . 3.500 10.772 10.716 10.799 7.299 1 20 [+******************-] 1
1066 1 21 TYR H 1 28 TYR HA . . 3.500 7.224 7.195 7.245 3.745 17 20 [****************+**-] 1
1067 1 21 TYR H 1 28 TYR QB . . 3.500 7.198 7.174 7.216 3.716 17 20 [****************+**-] 1
1068 1 21 TYR H 1 29 CYS HA . . 3.500 10.590 10.574 10.620 7.120 17 20 [****************+*-*] 1
1069 1 21 TYR HA 1 23 GLY QA . . 3.500 6.362 6.355 6.376 2.876 17 20 [*****-**********+***] 1
1070 1 21 TYR QB 1 22 CYS HA . . 3.500 4.493 4.486 4.497 0.997 18 20 [********-********+**] 1
1071 1 22 CYS H 1 26 PRO QD . . 3.500 12.764 12.749 12.776 9.276 9 20 [********+**********-] 1
1072 1 22 CYS H 1 28 TYR HA . . 3.500 8.527 8.453 8.577 5.077 9 20 [********+**********-] 1
1073 1 22 CYS HA 1 24 SER QB . . 3.500 7.314 7.300 7.334 3.834 20 20 [*-*****************+] 1
1074 1 22 CYS HA 1 25 GLY H . . 3.500 9.339 9.328 9.344 5.844 9 20 [********+**********-] 1
1075 1 22 CYS HA 1 25 GLY QA . . 3.500 9.236 9.207 9.251 5.751 1 20 [+******************-] 1
1076 1 22 CYS HA 1 26 PRO QD . . 3.500 10.942 10.893 10.971 7.471 1 20 [+******************-] 1
1077 1 22 CYS HA 1 27 ALA HA . . 3.500 10.761 10.636 10.844 7.344 1 20 [+******************-] 1
1078 1 22 CYS HA 1 27 ALA MB . . 3.500 8.677 8.570 8.748 5.248 2 20 [*+***************-**] 1
1079 1 22 CYS HA 1 28 TYR HA . . 3.500 6.336 6.215 6.412 2.912 1 20 [+******************-] 1
1080 1 22 CYS HA 1 28 TYR QB . . 3.500 4.780 4.680 4.846 1.346 1 20 [+****************-**] 1
1081 1 22 CYS HA 1 29 CYS H . . 3.500 8.312 8.211 8.375 4.875 1 20 [+******************-] 1
1082 1 22 CYS HA 1 29 CYS QB . . 3.500 8.737 8.675 8.776 5.276 1 20 [+******************-] 1
1083 1 22 CYS QB 1 25 GLY H . . 3.500 8.943 8.916 8.966 5.466 1 20 [+****************-**] 1
1084 1 22 CYS QB 1 28 TYR HA . . 3.500 7.651 7.554 7.709 4.209 1 20 [+******************-] 1
1085 1 23 GLY H 1 25 GLY H . . 3.500 7.243 7.230 7.266 3.766 17 20 [****************+**-] 1
1086 1 23 GLY H 1 25 GLY QA . . 3.500 7.620 7.599 7.666 4.166 17 20 [****************+**-] 1
1087 1 23 GLY H 1 26 PRO QG . . 3.500 11.150 11.101 11.204 7.704 17 20 [****************+**-] 1
1088 1 23 GLY H 1 29 CYS HA . . 3.500 7.109 7.032 7.201 3.701 17 20 [****************+**-] 1
1089 1 23 GLY QA 1 29 CYS H . . 3.500 6.728 6.690 6.753 3.253 2 20 [*+***************-**] 1
1090 1 23 GLY QA 1 27 ALA H . . 3.500 7.706 7.663 7.735 4.235 9 20 [********+********-**] 1
1091 1 24 SER H 1 26 PRO QB . . 3.500 8.944 8.922 8.967 5.467 9 20 [********+********-**] 1
1092 1 24 SER HA 1 26 PRO QB . . 3.500 7.801 7.793 7.807 4.307 1 20 [+****************-**] 1
1093 1 24 SER HA 1 27 ALA H . . 3.500 6.613 6.591 6.634 3.134 9 20 [********+********-**] 1
1094 1 24 SER HA 1 30 GLY H . . 3.500 6.795 6.790 6.801 3.301 18 20 [**********-******+**] 1
1095 1 24 SER QB 1 27 ALA H . . 3.500 6.857 6.824 6.885 3.385 9 20 [********+********-**] 1
1096 1 25 GLY H 1 26 PRO QB . . 3.500 6.183 6.174 6.195 2.695 18 20 [********-********+**] 1
1097 1 25 GLY H 1 27 ALA HA . . 3.500 7.916 7.912 7.922 4.422 18 20 [*-***************+**] 1
1098 1 25 GLY H 1 28 TYR HA . . 3.500 6.914 6.885 6.953 3.453 18 20 [********-********+**] 1
1099 1 25 GLY QA 1 27 ALA H . . 3.500 3.085 3.073 3.096 . 0 0 "[ . 1 . 2]" 1
1100 1 26 PRO QB 1 28 TYR H . . 3.500 4.617 4.613 4.619 1.119 17 20 [********-*******+***] 1
1101 1 26 PRO QB 1 28 TYR QE . . 3.500 7.734 7.710 7.750 4.250 17 20 [********-*******+***] 1
1102 1 26 PRO QG 1 29 CYS H . . 3.500 5.904 5.893 5.909 2.409 7 20 [******+**********-**] 1
1103 1 26 PRO QG 1 30 GLY H . . 3.500 5.599 5.579 5.622 2.122 9 20 [********+**********-] 1
1104 1 26 PRO QD 1 29 CYS H . . 3.500 5.078 5.070 5.081 1.581 7 20 [******+**********-**] 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 9
_Distance_constraint_stats_list.Viol_count 119
_Distance_constraint_stats_list.Viol_total 229.204
_Distance_constraint_stats_list.Viol_max 0.133
_Distance_constraint_stats_list.Viol_rms 0.0545
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0637
_Distance_constraint_stats_list.Viol_average_violations_only 0.0963
_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 5 CYS 4.578 0.133 18 0 "[ . 1 . 2]"
1 10 CYS 4.273 0.120 19 0 "[ . 1 . 2]"
1 15 CYS 2.609 0.118 2 0 "[ . 1 . 2]"
1 16 CYS 4.578 0.133 18 0 "[ . 1 . 2]"
1 22 CYS 4.273 0.120 19 0 "[ . 1 . 2]"
1 29 CYS 2.609 0.118 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 CYS SG 1 16 CYS SG . . 2.000 2.104 2.072 2.120 0.120 18 0 "[ . 1 . 2]" 2
2 1 5 CYS SG 1 16 CYS CB . . 3.000 3.122 3.108 3.133 0.133 18 0 "[ . 1 . 2]" 2
3 1 5 CYS CB 1 16 CYS SG . . 3.000 2.996 2.981 3.014 0.014 15 0 "[ . 1 . 2]" 2
4 1 10 CYS SG 1 22 CYS SG . . 2.000 2.102 2.013 2.120 0.120 19 0 "[ . 1 . 2]" 2
5 1 10 CYS SG 1 22 CYS CB . . 3.000 3.021 2.974 3.116 0.116 18 0 "[ . 1 . 2]" 2
6 1 10 CYS CB 1 22 CYS SG . . 3.000 3.082 2.995 3.117 0.117 11 0 "[ . 1 . 2]" 2
7 1 15 CYS SG 1 29 CYS SG . . 2.000 1.992 1.990 1.994 . 0 0 "[ . 1 . 2]" 2
8 1 15 CYS SG 1 29 CYS CB . . 3.000 3.115 3.113 3.118 0.118 2 0 "[ . 1 . 2]" 2
9 1 15 CYS CB 1 29 CYS SG . . 3.000 3.013 2.993 3.094 0.094 18 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 619
_Distance_constraint_stats_list.Viol_total 2814.408
_Distance_constraint_stats_list.Viol_max 0.594
_Distance_constraint_stats_list.Viol_rms 0.1569
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2199
_Distance_constraint_stats_list.Viol_average_violations_only 0.2273
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 4.607 0.271 20 0 "[ . 1 . 2]"
1 5 CYS 3.982 0.236 18 0 "[ . 1 . 2]"
1 6 TYR 8.560 0.273 19 0 "[ . 1 . 2]"
1 9 ARG 8.560 0.273 19 0 "[ . 1 . 2]"
1 11 SER 8.933 0.308 17 0 "[ . 1 . 2]"
1 14 LEU 8.933 0.308 17 0 "[ . 1 . 2]"
1 15 CYS 17.632 0.289 8 0 "[ . 1 . 2]"
1 17 SER 53.024 0.444 18 0 "[ . 1 . 2]"
1 19 TYR 17.135 0.444 18 0 "[ . 1 . 2]"
1 20 GLY 16.501 0.332 19 0 "[ . 1 . 2]"
1 21 TYR 23.370 0.411 17 0 "[ . 1 . 2]"
1 22 CYS 4.607 0.271 20 0 "[ . 1 . 2]"
1 23 GLY 17.632 0.289 8 0 "[ . 1 . 2]"
1 24 SER 4.302 0.195 9 0 "[ . 1 . 2]"
1 25 GLY 37.904 0.594 9 20 [********+**********-]
1 26 PRO 6.078 0.257 10 0 "[ . 1 . 2]"
1 28 TYR 23.536 0.594 9 20 [********+**********-]
1 29 CYS 10.065 0.279 7 0 "[ . 1 . 2]"
1 30 GLY 6.078 0.257 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 CYS H 1 20 GLY O . . 1.800 1.870 1.798 1.963 0.163 18 0 "[ . 1 . 2]" 3
2 1 5 CYS N 1 20 GLY O . . 2.700 2.828 2.745 2.936 0.236 18 0 "[ . 1 . 2]" 3
3 1 6 TYR H 1 9 ARG O . . 1.800 1.896 1.808 2.008 0.208 8 0 "[ . 1 . 2]" 3
4 1 6 TYR N 1 9 ARG O . . 2.700 2.772 2.736 2.924 0.224 20 0 "[ . 1 . 2]" 3
5 1 6 TYR O 1 9 ARG H . . 1.800 2.059 2.052 2.073 0.273 19 0 "[ . 1 . 2]" 3
6 1 6 TYR O 1 9 ARG N . . 2.700 2.696 2.691 2.710 0.010 8 0 "[ . 1 . 2]" 3
7 1 11 SER O 1 14 LEU H . . 1.800 2.005 1.980 2.035 0.235 17 0 "[ . 1 . 2]" 3
8 1 11 SER O 1 14 LEU N . . 2.700 2.942 2.897 3.008 0.308 17 0 "[ . 1 . 2]" 3
9 1 15 CYS H 1 23 GLY O . . 1.800 2.004 1.961 2.019 0.219 5 0 "[ . 1 . 2]" 3
10 1 15 CYS N 1 23 GLY O . . 2.700 2.954 2.877 2.989 0.289 8 0 "[ . 1 . 2]" 3
11 1 17 SER H 1 21 TYR O . . 1.800 1.851 1.834 1.867 0.067 9 0 "[ . 1 . 2]" 3
12 1 17 SER N 1 21 TYR O . . 2.700 2.730 2.715 2.746 0.046 9 0 "[ . 1 . 2]" 3
13 1 17 SER HG 1 21 TYR O . . 1.800 2.103 2.096 2.116 0.316 9 0 "[ . 1 . 2]" 3
14 1 17 SER OG 1 21 TYR O . . 2.700 2.740 2.732 2.746 0.046 5 0 "[ . 1 . 2]" 3
15 1 17 SER OG 1 19 TYR H . . 1.800 2.241 2.238 2.244 0.444 18 0 "[ . 1 . 2]" 3
16 1 17 SER OG 1 19 TYR N . . 2.700 3.116 3.113 3.119 0.419 18 0 "[ . 1 . 2]" 3
17 1 17 SER O 1 20 GLY H . . 1.800 2.096 2.092 2.101 0.301 2 0 "[ . 1 . 2]" 3
18 1 17 SER O 1 20 GLY N . . 2.700 3.030 3.028 3.032 0.332 19 0 "[ . 1 . 2]" 3
19 1 17 SER OG 1 21 TYR H . . 1.800 2.204 2.196 2.211 0.411 17 0 "[ . 1 . 2]" 3
20 1 17 SER OG 1 21 TYR N . . 2.700 3.041 3.031 3.051 0.351 20 0 "[ . 1 . 2]" 3
21 1 3 GLY O 1 22 CYS H . . 1.800 1.900 1.807 2.036 0.236 19 0 "[ . 1 . 2]" 3
22 1 3 GLY O 1 22 CYS N . . 2.700 2.831 2.746 2.971 0.271 20 0 "[ . 1 . 2]" 3
23 1 15 CYS O 1 23 GLY H . . 1.800 2.061 2.039 2.083 0.283 19 0 "[ . 1 . 2]" 3
24 1 15 CYS O 1 23 GLY N . . 2.700 2.863 2.849 2.878 0.178 2 0 "[ . 1 . 2]" 3
25 1 24 SER OG 1 25 GLY H . . 1.800 1.993 1.987 1.995 0.195 9 0 "[ . 1 . 2]" 3
26 1 24 SER OG 1 25 GLY N . . 2.700 2.723 2.716 2.725 0.025 3 0 "[ . 1 . 2]" 3
27 1 25 GLY O 1 28 TYR H . . 1.800 2.385 2.383 2.389 0.589 9 20 [********+**********-] 3
28 1 25 GLY O 1 28 TYR N . . 2.700 3.292 3.290 3.294 0.594 9 20 [********+**-********] 3
29 1 25 GLY O 1 29 CYS H . . 1.800 2.030 2.019 2.035 0.235 2 0 "[ . 1 . 2]" 3
30 1 25 GLY O 1 29 CYS N . . 2.700 2.974 2.963 2.979 0.279 7 0 "[ . 1 . 2]" 3
31 1 26 PRO O 1 30 GLY H . . 1.800 2.055 2.052 2.057 0.257 10 0 "[ . 1 . 2]" 3
32 1 26 PRO O 1 30 GLY N . . 2.700 2.749 2.747 2.755 0.055 9 0 "[ . 1 . 2]" 3
stop_
save_
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