NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612198 |
2nb2   |
25959 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nb2
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 1631
_Distance_constraint_stats_list.Viol_count 33700
_Distance_constraint_stats_list.Viol_total 6817167.000
_Distance_constraint_stats_list.Viol_max 26.883
_Distance_constraint_stats_list.Viol_rms 5.4992
_Distance_constraint_stats_list.Viol_average_all_restraints 6.6876
_Distance_constraint_stats_list.Viol_average_violations_only 8.0916
_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 ASP 4048.422 26.393 11 25 [*****-****+**************]
1 2 ARG 47931.602 26.883 21 25 [************-*******+****]
1 3 TYR 13141.838 22.287 11 25 [******-***+**************]
1 4 GLN 43012.938 22.431 11 25 [**********+************-*]
1 5 ASP 6409.960 20.138 7 25 [******+*************-****]
1 6 CYS 14188.292 20.097 11 25 [**********+******-*******]
1 7 LEU 13646.900 16.328 11 25 [**********+************-*]
1 8 SER 2963.090 14.408 3 25 [**+*********************-]
1 9 GLU 14038.494 16.333 7 25 [******+*******-**********]
1 10 CYS 3017.034 14.121 11 25 [********-*+**************]
1 11 ASN 22154.283 14.862 19 25 [********-*********+******]
1 12 SER 6575.319 14.570 19 25 [**********-*******+******]
1 13 ARG 14927.557 15.865 8 25 [******-+*****************]
1 14 CYS 8440.453 17.554 21 25 [********************+**-*]
1 15 THR 12432.560 19.520 22 25 [********-************+***]
1 16 TYR 14671.503 19.017 25 25 [**************-*********+]
1 17 ILE 18458.236 19.209 21 25 [*********-**********+****]
1 18 PRO 18929.230 24.902 19 25 [******************+**-***]
1 19 ASP 27125.461 24.349 11 25 [**********+*************-]
1 20 TYR 27076.438 22.662 14 25 [*************+*******-***]
1 21 ALA 18880.785 26.556 7 25 [******+*****************-]
1 22 GLY 8497.137 26.883 21 25 [********************+-***]
1 23 MET 10314.590 24.433 21 25 [********-***********+****]
1 24 ARG 14332.778 23.433 21 25 [***-****************+****]
1 25 ALA 7076.940 22.920 21 25 [**-*****************+****]
1 26 CYS 11334.786 19.254 21 25 [********************+**-*]
1 27 ILE 11445.335 16.110 21 25 [********************+*-**]
1 28 GLY 4699.930 15.956 11 25 [**********+********-*****]
1 29 LEU 15804.359 16.575 11 25 [**********+***********-**]
1 30 CYS 7277.296 13.408 23 25 [****-*****************+**]
1 31 ALA 7588.875 14.040 6 25 [*****+*******************]
1 32 PRO 17016.510 15.371 16 25 [****-**********+*********]
1 33 ALA 9035.210 16.485 14 25 [*************+*-*********]
1 34 CYS 8623.189 16.014 3 25 [**+*****************-****]
1 35 LEU 13207.207 20.023 2 25 [*+************-**********]
1 36 THR 15050.770 20.687 21 25 [**********-*********+****]
1 37 SER 12530.470 22.662 14 25 [*************+***********]
1 38 ARG 19449.229 26.556 7 25 [******+**********-*******]
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 35 LEU HA 1 37 SER H . . 6.170 4.264 4.113 4.560 . 0 0 "[ . 1 . 2 .]" 1
2 1 4 GLN H 1 4 GLN QG . . 3.330 2.711 2.029 3.763 0.433 19 0 "[ . 1 . 2 .]" 1
3 1 4 GLN HA 1 4 GLN QG . . 3.440 2.590 2.213 2.974 . 0 0 "[ . 1 . 2 .]" 1
4 1 4 GLN QG 1 5 ASP H . . 4.530 4.254 3.975 4.426 . 0 0 "[ . 1 . 2 .]" 1
5 1 36 THR MG 1 38 ARG H . . 5.610 5.036 4.172 5.431 . 0 0 "[ . 1 . 2 .]" 1
6 1 36 THR H 1 36 THR MG . . 3.410 3.007 2.406 3.754 0.344 22 0 "[ . 1 . 2 .]" 1
7 1 36 THR MG 1 37 SER H . . 4.220 3.596 2.136 4.152 . 0 0 "[ . 1 . 2 .]" 1
8 1 16 TYR H 1 23 MET QG . . 5.450 4.682 4.272 4.911 . 0 0 "[ . 1 . 2 .]" 1
9 1 17 ILE H 1 23 MET QG . . 4.720 3.457 2.877 3.974 . 0 0 "[ . 1 . 2 .]" 1
10 1 23 MET H 1 23 MET QG . . 4.140 3.917 3.019 3.990 . 0 0 "[ . 1 . 2 .]" 1
11 1 23 MET HA 1 23 MET QG . . 3.490 2.455 2.109 2.557 . 0 0 "[ . 1 . 2 .]" 1
12 1 3 TYR HA 1 7 LEU H . . 4.210 3.968 3.784 4.203 . 0 0 "[ . 1 . 2 .]" 1
13 1 3 TYR HA 1 6 CYS QB . . 3.550 2.904 2.469 3.429 . 0 0 "[ . 1 . 2 .]" 1
14 1 3 TYR HA 1 6 CYS H . . 4.010 3.743 3.403 4.040 0.030 12 0 "[ . 1 . 2 .]" 1
15 1 3 TYR HA 1 4 GLN H . . 4.020 3.565 3.546 3.571 . 0 0 "[ . 1 . 2 .]" 1
16 1 30 CYS H 1 30 CYS QB . . 3.110 2.229 2.136 2.324 . 0 0 "[ . 1 . 2 .]" 1
17 1 30 CYS QB 1 31 ALA H . . 3.740 2.671 2.418 3.493 . 0 0 "[ . 1 . 2 .]" 1
18 1 10 CYS QB 1 11 ASN H . . 3.410 2.454 2.075 2.805 . 0 0 "[ . 1 . 2 .]" 1
19 1 7 LEU HA 1 10 CYS QB . . 3.390 2.508 2.155 2.929 . 0 0 "[ . 1 . 2 .]" 1
20 1 10 CYS H 1 10 CYS QB . . 3.010 2.189 2.120 2.249 . 0 0 "[ . 1 . 2 .]" 1
21 1 1 ASP QB 1 2 ARG H . . 2.730 2.329 1.967 2.732 0.002 10 0 "[ . 1 . 2 .]" 1
22 1 11 ASN H 1 11 ASN QD . . 5.260 3.715 2.085 4.511 . 0 0 "[ . 1 . 2 .]" 1
23 1 16 TYR H 1 23 MET ME . . 6.410 5.062 4.430 5.648 . 0 0 "[ . 1 . 2 .]" 1
24 1 17 ILE H 1 23 MET ME . . 5.770 3.865 3.113 4.735 . 0 0 "[ . 1 . 2 .]" 1
25 1 23 MET H 1 23 MET ME . . 4.140 4.114 3.870 4.187 0.047 11 0 "[ . 1 . 2 .]" 1
26 1 19 ASP H 1 23 MET ME . . 4.480 4.304 3.595 4.546 0.066 10 0 "[ . 1 . 2 .]" 1
27 1 15 THR H 1 23 MET ME . . 5.450 5.391 4.825 5.525 0.075 24 0 "[ . 1 . 2 .]" 1
28 1 13 ARG QB 1 15 THR H . . 5.450 4.428 4.293 4.958 . 0 0 "[ . 1 . 2 .]" 1
29 1 2 ARG HA 1 4 GLN H . . 4.900 4.790 4.524 4.932 0.032 13 0 "[ . 1 . 2 .]" 1
30 1 2 ARG HA 1 3 TYR H . . 3.410 3.510 3.474 3.557 0.147 19 0 "[ . 1 . 2 .]" 1
31 1 2 ARG HA 1 5 ASP H . . 3.650 3.634 3.479 3.712 0.062 8 0 "[ . 1 . 2 .]" 1
32 1 17 ILE MG 1 20 TYR H . . 6.500 4.654 4.526 4.770 . 0 0 "[ . 1 . 2 .]" 1
33 1 17 ILE MG 1 21 ALA H . . 6.500 5.225 4.718 5.787 . 0 0 "[ . 1 . 2 .]" 1
34 1 17 ILE H 1 17 ILE MG . . 3.840 3.756 3.736 3.770 . 0 0 "[ . 1 . 2 .]" 1
35 1 17 ILE MG 1 22 GLY H . . 4.420 3.869 3.422 4.249 . 0 0 "[ . 1 . 2 .]" 1
36 1 17 ILE MG 1 19 ASP QB . . 3.980 2.455 2.225 3.291 . 0 0 "[ . 1 . 2 .]" 1
37 1 17 ILE HA 1 17 ILE MG . . 3.260 2.396 2.290 2.466 . 0 0 "[ . 1 . 2 .]" 1
38 1 17 ILE MG 1 19 ASP H . . 2.970 1.913 1.818 2.259 . 0 0 "[ . 1 . 2 .]" 1
39 1 17 ILE MG 1 22 GLY QA . . 3.540 2.789 2.147 3.029 . 0 0 "[ . 1 . 2 .]" 1
40 1 17 ILE MG 1 18 PRO QD . . 3.500 2.399 1.950 2.629 . 0 0 "[ . 1 . 2 .]" 1
41 1 17 ILE MG 1 23 MET HA . . 3.780 3.036 2.379 3.748 . 0 0 "[ . 1 . 2 .]" 1
42 1 13 ARG H 1 13 ARG QB . . 3.030 2.256 2.155 2.345 . 0 0 "[ . 1 . 2 .]" 1
43 1 32 PRO QB 1 33 ALA H . . 4.280 2.311 2.235 2.385 . 0 0 "[ . 1 . 2 .]" 1
44 1 17 ILE MG 1 18 PRO HA . . 4.990 4.190 4.035 4.320 . 0 0 "[ . 1 . 2 .]" 1
45 1 18 PRO HA 1 19 ASP H . . 3.820 3.385 3.137 3.528 . 0 0 "[ . 1 . 2 .]" 1
46 1 17 ILE HA 1 19 ASP H . . 4.890 3.566 3.391 3.896 . 0 0 "[ . 1 . 2 .]" 1
47 1 18 PRO HA 1 18 PRO QD . . 3.880 3.381 3.381 3.382 . 0 0 "[ . 1 . 2 .]" 1
48 1 33 ALA H 1 33 ALA MB . . 2.840 2.153 2.033 2.235 . 0 0 "[ . 1 . 2 .]" 1
49 1 33 ALA MB 1 35 LEU H . . 4.670 4.459 4.141 4.700 0.030 20 0 "[ . 1 . 2 .]" 1
50 1 33 ALA MB 1 34 CYS H . . 3.250 2.631 2.359 2.817 . 0 0 "[ . 1 . 2 .]" 1
51 1 37 SER HA 1 38 ARG H . . 3.370 3.463 3.441 3.489 0.119 20 0 "[ . 1 . 2 .]" 1
52 1 36 THR H 1 37 SER HA . . 5.860 5.170 5.052 5.291 . 0 0 "[ . 1 . 2 .]" 1
53 1 25 ALA H 1 25 ALA MB . . 2.680 2.211 2.151 2.244 . 0 0 "[ . 1 . 2 .]" 1
54 1 25 ALA MB 1 26 CYS H . . 3.190 2.555 2.353 2.719 . 0 0 "[ . 1 . 2 .]" 1
55 1 16 TYR HA 1 17 ILE H . . 4.900 3.377 3.313 3.436 . 0 0 "[ . 1 . 2 .]" 1
56 1 15 THR H 1 16 TYR HA . . 6.310 5.143 5.106 5.189 . 0 0 "[ . 1 . 2 .]" 1
57 1 30 CYS H 1 31 ALA HA . . 5.730 5.317 5.253 5.356 . 0 0 "[ . 1 . 2 .]" 1
58 1 5 ASP HA 1 8 SER H . . 4.070 3.699 3.511 3.853 . 0 0 "[ . 1 . 2 .]" 1
59 1 5 ASP HA 1 6 CYS H . . 4.040 3.551 3.516 3.571 . 0 0 "[ . 1 . 2 .]" 1
60 1 4 GLN H 1 5 ASP HA . . 6.160 5.311 5.217 5.429 . 0 0 "[ . 1 . 2 .]" 1
61 1 17 ILE H 1 17 ILE QG . . 3.190 2.238 2.046 2.511 . 0 0 "[ . 1 . 2 .]" 1
62 1 17 ILE HA 1 17 ILE QG . . 3.500 2.573 2.296 2.876 . 0 0 "[ . 1 . 2 .]" 1
63 1 17 ILE QG 1 19 ASP H . . 6.500 4.701 4.473 5.192 . 0 0 "[ . 1 . 2 .]" 1
64 1 27 ILE HB 1 29 LEU H . . 5.450 5.125 4.944 5.455 0.005 22 0 "[ . 1 . 2 .]" 1
65 1 33 ALA H 1 34 CYS QB . . 5.330 4.391 4.283 4.577 . 0 0 "[ . 1 . 2 .]" 1
66 1 34 CYS QB 1 35 LEU H . . 4.020 2.738 2.561 3.022 . 0 0 "[ . 1 . 2 .]" 1
67 1 34 CYS H 1 34 CYS QB . . 2.990 2.243 2.217 2.273 . 0 0 "[ . 1 . 2 .]" 1
68 1 14 CYS HA 1 16 TYR H . . 6.280 3.270 3.119 3.375 . 0 0 "[ . 1 . 2 .]" 1
69 1 14 CYS HA 1 17 ILE H . . 6.280 3.869 3.695 4.096 . 0 0 "[ . 1 . 2 .]" 1
70 1 14 CYS HA 1 15 THR H . . 4.900 3.322 3.262 3.412 . 0 0 "[ . 1 . 2 .]" 1
71 1 28 GLY QA 1 29 LEU H . . 3.950 2.778 2.594 2.895 . 0 0 "[ . 1 . 2 .]" 1
72 1 32 PRO QG 1 33 ALA H . . 3.850 3.655 3.620 3.690 . 0 0 "[ . 1 . 2 .]" 1
73 1 18 PRO QG 1 19 ASP H . . 4.480 2.905 2.319 3.673 . 0 0 "[ . 1 . 2 .]" 1
74 1 35 LEU QB 1 36 THR H . . 3.690 2.607 2.314 3.427 . 0 0 "[ . 1 . 2 .]" 1
75 1 35 LEU H 1 35 LEU QB . . 2.940 2.178 2.123 2.263 . 0 0 "[ . 1 . 2 .]" 1
76 1 34 CYS H 1 35 LEU QB . . 4.420 4.372 4.335 4.464 0.044 6 0 "[ . 1 . 2 .]" 1
77 1 19 ASP QB 1 20 TYR H . . 3.950 3.477 3.141 3.730 . 0 0 "[ . 1 . 2 .]" 1
78 1 19 ASP QB 1 21 ALA H . . 4.750 3.637 2.873 4.117 . 0 0 "[ . 1 . 2 .]" 1
79 1 19 ASP QB 1 22 GLY H . . 4.250 2.483 2.249 2.662 . 0 0 "[ . 1 . 2 .]" 1
80 1 19 ASP H 1 19 ASP QB . . 3.640 2.543 2.207 2.945 . 0 0 "[ . 1 . 2 .]" 1
81 1 11 ASN H 1 11 ASN QB . . 3.020 2.212 2.131 2.473 . 0 0 "[ . 1 . 2 .]" 1
82 1 11 ASN QB 1 12 SER H . . 3.450 2.485 2.043 3.352 . 0 0 "[ . 1 . 2 .]" 1
83 1 7 LEU H 1 7 LEU QB . . 3.120 2.138 2.104 2.187 . 0 0 "[ . 1 . 2 .]" 1
84 1 7 LEU QB 1 8 SER H . . 3.300 2.504 2.232 2.786 . 0 0 "[ . 1 . 2 .]" 1
85 1 6 CYS H 1 7 LEU QB . . 5.130 4.535 4.436 4.628 . 0 0 "[ . 1 . 2 .]" 1
86 1 4 GLN HA 1 7 LEU QB . . 3.730 2.985 2.455 3.422 . 0 0 "[ . 1 . 2 .]" 1
87 1 15 THR HB 1 16 TYR H . . 4.460 4.167 3.982 4.279 . 0 0 "[ . 1 . 2 .]" 1
88 1 15 THR H 1 15 THR HB . . 3.650 2.459 2.246 2.595 . 0 0 "[ . 1 . 2 .]" 1
89 1 33 ALA HA 1 34 CYS H . . 5.450 3.530 3.477 3.566 . 0 0 "[ . 1 . 2 .]" 1
90 1 31 ALA HA 1 34 CYS H . . 5.450 3.584 3.458 3.768 . 0 0 "[ . 1 . 2 .]" 1
91 1 36 THR HA 1 38 ARG H . . 5.140 4.276 4.056 4.514 . 0 0 "[ . 1 . 2 .]" 1
92 1 36 THR HA 1 37 SER H . . 3.470 3.487 3.446 3.534 0.064 20 0 "[ . 1 . 2 .]" 1
93 1 6 CYS QB 1 7 LEU H . . 3.310 2.334 2.133 2.540 . 0 0 "[ . 1 . 2 .]" 1
94 1 6 CYS H 1 6 CYS QB . . 2.970 2.231 2.130 2.253 . 0 0 "[ . 1 . 2 .]" 1
95 1 24 ARG H 1 24 ARG QB . . 3.000 2.143 2.122 2.184 . 0 0 "[ . 1 . 2 .]" 1
96 1 24 ARG QB 1 25 ALA H . . 3.500 2.510 2.365 2.722 . 0 0 "[ . 1 . 2 .]" 1
97 1 21 ALA HA 1 24 ARG QB . . 3.450 2.829 2.284 3.185 . 0 0 "[ . 1 . 2 .]" 1
98 1 1 ASP HA 1 2 ARG H . . 3.130 2.799 2.317 3.552 0.422 9 0 "[ . 1 . 2 .]" 1
99 1 23 MET H 1 23 MET QB . . 2.650 2.232 2.116 2.264 . 0 0 "[ . 1 . 2 .]" 1
100 1 26 CYS QB 1 27 ILE H . . 3.320 2.397 2.191 2.545 . 0 0 "[ . 1 . 2 .]" 1
101 1 3 TYR H 1 5 ASP QB . . 5.450 4.766 4.522 5.205 . 0 0 "[ . 1 . 2 .]" 1
102 1 25 ALA H 1 26 CYS QB . . 5.170 4.333 4.252 4.433 . 0 0 "[ . 1 . 2 .]" 1
103 1 26 CYS H 1 26 CYS QB . . 3.060 2.206 2.140 2.234 . 0 0 "[ . 1 . 2 .]" 1
104 1 23 MET HA 1 26 CYS QB . . 3.460 2.480 2.282 2.598 . 0 0 "[ . 1 . 2 .]" 1
105 1 9 GLU H 1 9 GLU QG . . 3.540 3.043 2.443 3.732 0.192 24 0 "[ . 1 . 2 .]" 1
106 1 9 GLU HA 1 9 GLU QG . . 3.590 2.521 2.077 3.327 . 0 0 "[ . 1 . 2 .]" 1
107 1 38 ARG H 1 38 ARG QB . . 3.500 2.650 2.227 2.955 . 0 0 "[ . 1 . 2 .]" 1
108 1 32 PRO HA 1 32 PRO QD . . 4.300 3.308 3.307 3.308 . 0 0 "[ . 1 . 2 .]" 1
109 1 31 ALA H 1 32 PRO QD . . 3.280 2.214 2.098 2.256 . 0 0 "[ . 1 . 2 .]" 1
110 1 20 TYR HA 1 21 ALA H . . 4.110 3.545 3.501 3.570 . 0 0 "[ . 1 . 2 .]" 1
111 1 12 SER HA 1 15 THR H . . 4.720 3.480 3.170 3.758 . 0 0 "[ . 1 . 2 .]" 1
112 1 13 ARG HA 1 15 THR H . . 4.720 3.961 3.838 4.091 . 0 0 "[ . 1 . 2 .]" 1
113 1 16 TYR H 1 16 TYR QB . . 3.750 2.234 2.149 2.288 . 0 0 "[ . 1 . 2 .]" 1
114 1 16 TYR QB 1 17 ILE H . . 5.450 3.171 2.984 3.651 . 0 0 "[ . 1 . 2 .]" 1
115 1 15 THR H 1 16 TYR QB . . 5.450 4.343 4.299 4.454 . 0 0 "[ . 1 . 2 .]" 1
116 1 20 TYR H 1 21 ALA MB . . 5.050 4.371 4.203 4.577 . 0 0 "[ . 1 . 2 .]" 1
117 1 21 ALA H 1 21 ALA MB . . 2.730 2.117 2.024 2.233 . 0 0 "[ . 1 . 2 .]" 1
118 1 21 ALA MB 1 22 GLY H . . 3.140 2.344 1.961 2.659 . 0 0 "[ . 1 . 2 .]" 1
119 1 21 ALA HA 1 21 ALA MB . . 2.560 2.103 2.082 2.127 . 0 0 "[ . 1 . 2 .]" 1
120 1 3 TYR QB 1 4 GLN H . . 3.130 2.253 2.129 2.498 . 0 0 "[ . 1 . 2 .]" 1
121 1 3 TYR H 1 3 TYR QB . . 2.970 2.217 2.130 2.257 . 0 0 "[ . 1 . 2 .]" 1
122 1 2 ARG QB 1 4 GLN H . . 5.030 5.062 5.018 5.157 0.127 18 0 "[ . 1 . 2 .]" 1
123 1 2 ARG QB 1 3 TYR H . . 3.300 2.771 2.553 3.302 0.002 18 0 "[ . 1 . 2 .]" 1
124 1 2 ARG H 1 2 ARG QB . . 2.860 2.355 2.119 2.627 . 0 0 "[ . 1 . 2 .]" 1
125 1 2 ARG QB 1 5 ASP H . . 5.660 5.037 4.771 5.221 . 0 0 "[ . 1 . 2 .]" 1
126 1 16 TYR H 1 17 ILE HA . . 4.900 5.039 4.838 5.128 0.228 14 0 "[ . 1 . 2 .]" 1
127 1 32 PRO HA 1 32 PRO QG . . 3.440 2.901 2.900 2.902 . 0 0 "[ . 1 . 2 .]" 1
128 1 32 PRO HA 1 33 ALA H . . 4.030 3.569 3.564 3.572 . 0 0 "[ . 1 . 2 .]" 1
129 1 32 PRO HA 1 35 LEU H . . 4.720 3.686 3.523 3.791 . 0 0 "[ . 1 . 2 .]" 1
130 1 18 PRO QB 1 19 ASP H . . 4.210 3.514 3.180 3.875 . 0 0 "[ . 1 . 2 .]" 1
131 1 11 ASN HA 1 14 CYS H . . 3.970 3.436 3.050 3.738 . 0 0 "[ . 1 . 2 .]" 1
132 1 7 LEU HA 1 11 ASN H . . 4.550 3.830 3.435 4.118 . 0 0 "[ . 1 . 2 .]" 1
133 1 7 LEU HA 1 8 SER H . . 3.580 3.546 3.505 3.569 . 0 0 "[ . 1 . 2 .]" 1
134 1 6 CYS H 1 7 LEU HA . . 5.770 5.409 5.341 5.481 . 0 0 "[ . 1 . 2 .]" 1
135 1 37 SER QB 1 38 ARG H . . 4.160 3.097 2.811 3.554 . 0 0 "[ . 1 . 2 .]" 1
136 1 37 SER H 1 37 SER QB . . 3.390 2.306 2.213 2.409 . 0 0 "[ . 1 . 2 .]" 1
137 1 21 ALA H 1 22 GLY QA . . 5.350 4.655 4.524 4.775 . 0 0 "[ . 1 . 2 .]" 1
138 1 22 GLY QA 1 25 ALA H . . 6.170 3.625 3.471 3.817 . 0 0 "[ . 1 . 2 .]" 1
139 1 22 GLY QA 1 23 MET H . . 3.680 2.702 2.561 2.792 . 0 0 "[ . 1 . 2 .]" 1
140 1 22 GLY QA 1 26 CYS H . . 5.510 3.777 3.507 3.979 . 0 0 "[ . 1 . 2 .]" 1
141 1 24 ARG HA 1 25 ALA H . . 4.570 3.547 3.524 3.569 . 0 0 "[ . 1 . 2 .]" 1
142 1 24 ARG HA 1 28 GLY H . . 5.450 3.834 3.622 4.103 . 0 0 "[ . 1 . 2 .]" 1
143 1 24 ARG HA 1 26 CYS H . . 5.140 4.560 4.333 4.848 . 0 0 "[ . 1 . 2 .]" 1
144 1 27 ILE HA 1 30 CYS H . . 4.210 3.388 3.188 3.652 . 0 0 "[ . 1 . 2 .]" 1
145 1 30 CYS H 1 32 PRO QD . . 5.450 3.316 3.268 3.475 . 0 0 "[ . 1 . 2 .]" 1
146 1 27 ILE HA 1 28 GLY H . . 4.150 3.494 3.444 3.546 . 0 0 "[ . 1 . 2 .]" 1
147 1 30 CYS H 1 31 ALA MB . . 5.030 4.269 4.224 4.309 . 0 0 "[ . 1 . 2 .]" 1
148 1 31 ALA MB 1 35 LEU H . . 5.730 4.572 4.452 4.740 . 0 0 "[ . 1 . 2 .]" 1
149 1 31 ALA H 1 31 ALA MB . . 2.890 2.033 2.027 2.043 . 0 0 "[ . 1 . 2 .]" 1
150 1 8 SER HA 1 11 ASN H . . 3.960 3.795 3.584 4.102 0.142 17 0 "[ . 1 . 2 .]" 1
151 1 7 LEU H 1 8 SER HA . . 5.450 5.334 5.188 5.453 0.003 12 0 "[ . 1 . 2 .]" 1
152 1 6 CYS HA 1 7 LEU H . . 5.450 3.562 3.537 3.570 . 0 0 "[ . 1 . 2 .]" 1
153 1 8 SER HA 1 9 GLU H . . 4.210 3.567 3.536 3.571 . 0 0 "[ . 1 . 2 .]" 1
154 1 5 ASP QB 1 6 CYS H . . 3.370 2.402 2.084 2.681 . 0 0 "[ . 1 . 2 .]" 1
155 1 5 ASP H 1 5 ASP QB . . 3.070 2.226 2.157 2.269 . 0 0 "[ . 1 . 2 .]" 1
156 1 17 ILE HB 1 23 MET QG . . 4.980 2.535 1.944 3.273 . 0 0 "[ . 1 . 2 .]" 1
157 1 17 ILE H 1 17 ILE HB . . 2.900 2.477 2.399 2.555 . 0 0 "[ . 1 . 2 .]" 1
158 1 17 ILE HB 1 19 ASP H . . 4.920 3.946 3.264 4.502 . 0 0 "[ . 1 . 2 .]" 1
159 1 17 ILE HB 1 23 MET HA . . 3.450 2.993 2.698 3.433 . 0 0 "[ . 1 . 2 .]" 1
160 1 14 CYS H 1 14 CYS QB . . 3.130 2.290 2.183 2.331 . 0 0 "[ . 1 . 2 .]" 1
161 1 9 GLU H 1 9 GLU QB . . 3.050 2.205 2.090 2.319 . 0 0 "[ . 1 . 2 .]" 1
162 1 17 ILE H 1 18 PRO QD . . 4.850 4.132 4.050 4.267 . 0 0 "[ . 1 . 2 .]" 1
163 1 18 PRO QD 1 19 ASP H . . 3.990 2.807 2.602 3.262 . 0 0 "[ . 1 . 2 .]" 1
164 1 19 ASP HA 1 20 TYR H . . 2.810 2.144 2.139 2.158 . 0 0 "[ . 1 . 2 .]" 1
165 1 19 ASP HA 1 21 ALA H . . 5.010 4.126 3.705 4.780 . 0 0 "[ . 1 . 2 .]" 1
166 1 36 THR H 1 36 THR HB . . 3.880 2.961 2.286 3.630 . 0 0 "[ . 1 . 2 .]" 1
167 1 36 THR HB 1 37 SER H . . 4.360 3.416 2.795 3.939 . 0 0 "[ . 1 . 2 .]" 1
168 1 15 THR MG 1 16 TYR H . . 4.260 2.483 2.354 2.661 . 0 0 "[ . 1 . 2 .]" 1
169 1 12 SER H 1 15 THR MG . . 5.280 4.464 4.339 4.981 . 0 0 "[ . 1 . 2 .]" 1
170 1 15 THR H 1 15 THR MG . . 3.110 2.315 2.016 2.731 . 0 0 "[ . 1 . 2 .]" 1
171 1 14 CYS H 1 15 THR MG . . 4.680 4.074 3.768 4.379 . 0 0 "[ . 1 . 2 .]" 1
172 1 15 THR HA 1 15 THR MG . . 3.040 3.190 3.145 3.201 0.161 19 0 "[ . 1 . 2 .]" 1
173 1 15 THR HA 1 23 MET ME . . 4.210 2.988 2.367 3.149 . 0 0 "[ . 1 . 2 .]" 1
174 1 17 ILE H 1 23 MET HA . . 5.230 5.005 4.802 5.285 0.055 24 0 "[ . 1 . 2 .]" 1
175 1 23 MET HA 1 27 ILE H . . 4.210 3.626 3.143 3.840 . 0 0 "[ . 1 . 2 .]" 1
176 1 23 MET H 1 23 MET HA . . 3.040 2.830 2.775 2.860 . 0 0 "[ . 1 . 2 .]" 1
177 1 23 MET HA 1 26 CYS H . . 4.040 3.521 3.387 3.667 . 0 0 "[ . 1 . 2 .]" 1
178 1 30 CYS HA 1 33 ALA MB . . 3.350 2.982 2.736 3.181 . 0 0 "[ . 1 . 2 .]" 1
179 1 29 LEU H 1 30 CYS HA . . 5.330 4.808 4.732 4.989 . 0 0 "[ . 1 . 2 .]" 1
180 1 30 CYS HA 1 33 ALA H . . 4.550 3.893 3.824 3.996 . 0 0 "[ . 1 . 2 .]" 1
181 1 30 CYS HA 1 31 ALA H . . 4.580 3.541 3.498 3.555 . 0 0 "[ . 1 . 2 .]" 1
182 1 30 CYS HA 1 34 CYS H . . 4.870 4.016 3.802 4.179 . 0 0 "[ . 1 . 2 .]" 1
183 1 20 TYR HB3 1 21 ALA H . . 3.900 3.350 1.946 4.021 0.121 25 0 "[ . 1 . 2 .]" 1
184 1 29 LEU HA 1 30 CYS H . . 4.000 3.424 3.364 3.528 . 0 0 "[ . 1 . 2 .]" 1
185 1 29 LEU HA 1 31 ALA H . . 4.940 4.209 4.021 4.341 . 0 0 "[ . 1 . 2 .]" 1
186 1 17 ILE H 1 17 ILE MD . . 3.850 3.591 3.341 3.888 0.038 18 0 "[ . 1 . 2 .]" 1
187 1 17 ILE HA 1 17 ILE MD . . 3.920 2.932 1.967 3.870 . 0 0 "[ . 1 . 2 .]" 1
188 1 17 ILE MD 1 19 ASP H . . 4.670 4.458 3.999 4.744 0.074 18 0 "[ . 1 . 2 .]" 1
189 1 17 ILE MD 1 22 GLY QA . . 4.630 3.761 2.915 4.539 . 0 0 "[ . 1 . 2 .]" 1
190 1 17 ILE MD 1 23 MET HA . . 4.210 3.218 1.927 4.252 0.042 12 0 "[ . 1 . 2 .]" 1
191 1 33 ALA HA 1 36 THR H . . 4.820 3.534 3.325 3.876 . 0 0 "[ . 1 . 2 .]" 1
192 1 20 TYR H 1 20 TYR HB2 . . 3.220 2.647 2.196 3.572 0.352 9 0 "[ . 1 . 2 .]" 1
193 1 20 TYR HB2 1 21 ALA H . . 3.320 2.837 1.977 3.532 0.212 16 0 "[ . 1 . 2 .]" 1
194 1 4 GLN HA 1 7 LEU H . . 3.850 3.822 3.679 3.910 0.060 22 0 "[ . 1 . 2 .]" 1
195 1 4 GLN HA 1 6 CYS H . . 5.270 4.666 4.277 5.054 . 0 0 "[ . 1 . 2 .]" 1
196 1 4 GLN HA 1 5 ASP H . . 3.980 3.534 3.484 3.562 . 0 0 "[ . 1 . 2 .]" 1
197 1 20 TYR H 1 21 ALA HA . . 6.200 5.365 5.225 5.563 . 0 0 "[ . 1 . 2 .]" 1
198 1 21 ALA HA 1 24 ARG HE . . 5.540 4.657 3.645 5.559 0.019 21 0 "[ . 1 . 2 .]" 1
199 1 21 ALA HA 1 22 GLY H . . 3.840 3.569 3.544 3.577 . 0 0 "[ . 1 . 2 .]" 1
200 1 10 CYS HA 1 11 ASN H . . 4.430 3.549 3.499 3.571 . 0 0 "[ . 1 . 2 .]" 1
201 1 29 LEU QB 1 30 CYS H . . 3.910 2.994 2.633 3.159 . 0 0 "[ . 1 . 2 .]" 1
202 1 29 LEU H 1 29 LEU QB . . 2.980 2.307 2.191 2.366 . 0 0 "[ . 1 . 2 .]" 1
203 1 35 LEU HA 1 38 ARG H . . 5.540 3.440 3.279 3.708 . 0 0 "[ . 1 . 2 .]" 1
204 1 35 LEU HA 1 36 THR H . . 3.540 3.541 3.497 3.569 0.029 4 0 "[ . 1 . 2 .]" 1
205 1 15 THR HA 1 16 TYR H . . 4.280 3.372 3.340 3.401 . 0 0 "[ . 1 . 2 .]" 1
206 1 15 THR HA 1 17 ILE H . . 4.580 3.486 3.338 3.672 . 0 0 "[ . 1 . 2 .]" 1
207 1 27 ILE H 1 27 ILE HB . . 2.910 2.583 2.493 2.671 . 0 0 "[ . 1 . 2 .]" 1
208 1 27 ILE HB 1 28 GLY H . . 3.270 2.857 2.576 3.075 . 0 0 "[ . 1 . 2 .]" 1
209 1 24 ARG HA 1 27 ILE HB . . 3.180 3.300 3.208 3.434 0.254 24 0 "[ . 1 . 2 .]" 1
210 1 34 CYS HA 1 36 THR H . . 4.920 4.618 4.392 4.909 . 0 0 "[ . 1 . 2 .]" 1
211 1 34 CYS HA 1 35 LEU H . . 4.220 3.505 3.423 3.538 . 0 0 "[ . 1 . 2 .]" 1
212 1 34 CYS HA 1 37 SER H . . 5.010 3.573 3.333 3.745 . 0 0 "[ . 1 . 2 .]" 1
213 1 14 CYS QB 1 15 THR H . . 3.910 3.270 3.054 3.385 . 0 0 "[ . 1 . 2 .]" 1
214 1 26 CYS HA 1 27 ILE H . . 3.930 3.565 3.551 3.570 . 0 0 "[ . 1 . 2 .]" 1
215 1 26 CYS HA 1 30 CYS H . . 5.010 4.140 3.717 4.356 . 0 0 "[ . 1 . 2 .]" 1
216 1 26 CYS HA 1 29 LEU H . . 4.100 3.673 3.403 3.872 . 0 0 "[ . 1 . 2 .]" 1
217 1 32 PRO QD 1 33 ALA H . . 3.850 2.942 2.928 2.960 . 0 0 "[ . 1 . 2 .]" 1
218 1 29 LEU H 1 32 PRO QD . . 5.010 3.989 3.659 4.221 . 0 0 "[ . 1 . 2 .]" 1
219 1 27 ILE HA 1 29 LEU H . . 5.010 4.261 3.927 4.891 . 0 0 "[ . 1 . 2 .]" 1
220 1 32 PRO HA 1 34 CYS H . . 5.140 4.579 4.272 4.861 . 0 0 "[ . 1 . 2 .]" 1
221 1 19 ASP H 1 23 MET QB . . 5.050 4.017 3.465 5.016 . 0 0 "[ . 1 . 2 .]" 1
222 1 7 LEU QB 1 11 ASN H . . 6.500 4.801 4.367 5.171 . 0 0 "[ . 1 . 2 .]" 1
223 1 31 ALA MB 1 32 PRO QD . . 3.040 1.777 1.749 1.787 . 0 0 "[ . 1 . 2 .]" 1
224 1 2 ARG H 1 3 TYR H . . 3.600 2.708 2.524 2.890 . 0 0 "[ . 1 . 2 .]" 1
225 1 2 ARG H 1 4 GLN H . . 5.130 4.581 4.087 4.764 . 0 0 "[ . 1 . 2 .]" 1
226 1 2 ARG H 1 5 ASP H . . 5.580 4.826 4.577 4.963 . 0 0 "[ . 1 . 2 .]" 1
227 1 3 TYR H 1 4 GLN H . . 5.450 2.793 2.651 3.000 . 0 0 "[ . 1 . 2 .]" 1
228 1 4 GLN H 1 5 ASP H . . 3.500 2.716 2.593 2.861 . 0 0 "[ . 1 . 2 .]" 1
229 1 5 ASP H 1 6 CYS H . . 5.450 2.738 2.581 2.908 . 0 0 "[ . 1 . 2 .]" 1
230 1 6 CYS H 1 7 LEU H . . 3.400 2.852 2.755 2.959 . 0 0 "[ . 1 . 2 .]" 1
231 1 8 SER H 1 9 GLU H . . 5.450 3.008 2.803 3.106 . 0 0 "[ . 1 . 2 .]" 1
232 1 9 GLU H 1 10 CYS H . . 5.450 2.810 2.652 2.955 . 0 0 "[ . 1 . 2 .]" 1
233 1 9 GLU H 1 11 ASN H . . 4.790 4.417 3.863 4.854 0.064 23 0 "[ . 1 . 2 .]" 1
234 1 10 CYS H 1 11 ASN H . . 3.300 2.838 2.705 3.017 . 0 0 "[ . 1 . 2 .]" 1
235 1 11 ASN H 1 12 SER H . . 3.430 2.826 2.538 3.001 . 0 0 "[ . 1 . 2 .]" 1
236 1 11 ASN H 1 13 ARG H . . 5.210 3.793 3.576 4.514 . 0 0 "[ . 1 . 2 .]" 1
237 1 12 SER H 1 13 ARG H . . 5.450 2.625 2.507 2.784 . 0 0 "[ . 1 . 2 .]" 1
238 1 14 CYS H 1 15 THR H . . 3.380 2.333 2.231 2.492 . 0 0 "[ . 1 . 2 .]" 1
239 1 14 CYS H 1 16 TYR H . . 5.260 4.285 4.077 4.419 . 0 0 "[ . 1 . 2 .]" 1
240 1 15 THR H 1 16 TYR H . . 3.330 2.634 2.587 2.667 . 0 0 "[ . 1 . 2 .]" 1
241 1 19 ASP H 1 20 TYR H . . 5.050 4.403 4.127 4.551 . 0 0 "[ . 1 . 2 .]" 1
242 1 19 ASP H 1 22 GLY H . . 6.500 5.221 4.757 5.525 . 0 0 "[ . 1 . 2 .]" 1
243 1 20 TYR H 1 22 GLY H . . 5.420 4.470 4.059 4.995 . 0 0 "[ . 1 . 2 .]" 1
244 1 20 TYR H 1 21 ALA H . . 3.580 2.798 2.594 3.121 . 0 0 "[ . 1 . 2 .]" 1
245 1 21 ALA H 1 22 GLY H . . 3.370 2.869 2.653 3.057 . 0 0 "[ . 1 . 2 .]" 1
246 1 22 GLY H 1 23 MET H . . 5.450 2.820 2.659 2.993 . 0 0 "[ . 1 . 2 .]" 1
247 1 24 ARG H 1 25 ALA H . . 3.500 2.739 2.603 2.873 . 0 0 "[ . 1 . 2 .]" 1
248 1 25 ALA H 1 26 CYS H . . 3.390 2.613 2.544 2.708 . 0 0 "[ . 1 . 2 .]" 1
249 1 26 CYS H 1 27 ILE H . . 3.410 2.794 2.711 2.917 . 0 0 "[ . 1 . 2 .]" 1
250 1 27 ILE H 1 28 GLY H . . 3.500 2.577 2.423 2.731 . 0 0 "[ . 1 . 2 .]" 1
251 1 28 GLY H 1 29 LEU H . . 3.410 2.546 2.325 2.803 . 0 0 "[ . 1 . 2 .]" 1
252 1 29 LEU H 1 30 CYS H . . 3.140 2.230 2.075 2.518 . 0 0 "[ . 1 . 2 .]" 1
253 1 29 LEU H 1 31 ALA H . . 5.390 4.283 3.600 4.689 . 0 0 "[ . 1 . 2 .]" 1
254 1 30 CYS H 1 31 ALA H . . 3.550 2.723 2.645 2.772 . 0 0 "[ . 1 . 2 .]" 1
255 1 31 ALA H 1 33 ALA H . . 5.370 4.288 4.139 4.368 . 0 0 "[ . 1 . 2 .]" 1
256 1 33 ALA H 1 34 CYS H . . 3.190 2.639 2.517 2.843 . 0 0 "[ . 1 . 2 .]" 1
257 1 33 ALA H 1 35 LEU H . . 5.430 4.052 3.807 4.225 . 0 0 "[ . 1 . 2 .]" 1
258 1 34 CYS H 1 35 LEU H . . 3.360 2.595 2.506 2.654 . 0 0 "[ . 1 . 2 .]" 1
259 1 34 CYS H 1 36 THR H . . 4.930 4.229 3.861 4.708 . 0 0 "[ . 1 . 2 .]" 1
260 1 35 LEU H 1 36 THR H . . 3.620 2.566 2.375 2.771 . 0 0 "[ . 1 . 2 .]" 1
261 1 36 THR H 1 37 SER H . . 3.470 2.522 2.397 2.668 . 0 0 "[ . 1 . 2 .]" 1
262 1 37 SER H 1 38 ARG H . . 3.630 2.284 2.149 2.449 . 0 0 "[ . 1 . 2 .]" 1
263 1 27 ILE H 1 27 ILE MG . . 3.580 3.767 3.759 3.774 0.194 1 0 "[ . 1 . 2 .]" 1
264 1 27 ILE HA 1 27 ILE MG . . 3.020 2.339 2.278 2.408 . 0 0 "[ . 1 . 2 .]" 1
265 1 11 ASN H 1 27 ILE MG . . 6.320 3.827 3.371 4.389 . 0 0 "[ . 1 . 2 .]" 1
266 1 15 THR H 1 27 ILE MG . . 5.680 5.579 5.093 5.846 0.166 24 0 "[ . 1 . 2 .]" 1
267 1 14 CYS H 1 27 ILE MG . . 4.960 5.032 4.978 5.137 0.177 15 0 "[ . 1 . 2 .]" 1
268 1 14 CYS QB 1 27 ILE MG . . 4.210 3.819 3.435 3.936 . 0 0 "[ . 1 . 2 .]" 1
269 1 27 ILE MG 1 28 GLY H . . 3.710 3.728 3.390 3.863 0.153 24 0 "[ . 1 . 2 .]" 1
270 1 2 ARG H 1 3 TYR QD . . 5.000 6.343 6.086 6.496 1.496 22 25 [*****************-***+***] 1
271 1 2 ARG H 1 3 TYR QE . . 5.000 8.464 8.196 8.617 3.617 22 25 [***************-*****+***] 1
272 1 2 ARG H 1 4 GLN HA . . 5.000 7.244 6.865 7.352 2.352 12 25 [***********+*****-*******] 1
273 1 2 ARG H 1 6 CYS H . . 5.000 5.842 5.569 6.173 1.173 14 25 [*************+**********-] 1
274 1 2 ARG H 1 6 CYS QB . . 5.000 6.161 5.893 6.710 1.710 14 25 [*************+**********-] 1
275 1 2 ARG H 1 7 LEU HA . . 5.000 10.715 10.305 11.064 6.064 20 25 [********-**********+*****] 1
276 1 2 ARG H 1 7 LEU QB . . 5.000 8.481 7.980 9.018 4.018 20 25 [*****************-*+*****] 1
277 1 2 ARG H 1 7 LEU HG . . 5.000 11.083 9.215 12.311 7.311 6 25 [*****+*****-*************] 1
278 1 2 ARG H 1 7 LEU QD . . 5.000 8.063 7.068 9.324 4.324 22 25 [**********-**********+***] 1
279 1 2 ARG H 1 8 SER QB . . 5.000 8.986 8.558 9.876 4.876 6 25 [*****+***-***************] 1
280 1 2 ARG H 1 9 GLU QG . . 5.000 10.390 9.448 11.361 6.361 11 25 [*****-****+**************] 1
281 1 2 ARG H 1 11 ASN HA . . 5.000 16.127 15.594 16.848 11.848 11 25 [********-*+**************] 1
282 1 2 ARG H 1 11 ASN QD . . 5.000 13.757 11.853 16.087 11.087 13 25 [************+***-********] 1
283 1 2 ARG H 1 12 SER QB . . 5.000 14.364 13.341 15.467 10.467 8 25 [*******+**************-**] 1
284 1 2 ARG H 1 13 ARG HE . . 5.000 17.180 14.479 19.925 14.925 11 25 [**********+*****-********] 1
285 1 2 ARG H 1 15 THR HA . . 5.000 21.175 20.762 21.849 16.849 11 25 [**********+*************-] 1
286 1 2 ARG H 1 15 THR MG . . 5.000 17.038 16.505 17.543 12.543 15 25 [**************+*******-**] 1
287 1 2 ARG H 1 16 TYR QD . . 5.000 21.971 20.102 23.078 18.078 19 25 [******************+**-***] 1
288 1 2 ARG H 1 17 ILE MG . . 5.000 21.519 21.047 22.237 17.237 23 25 [**********************+*-] 1
289 1 2 ARG H 1 17 ILE QG . . 5.000 20.850 19.967 21.706 16.706 14 25 [*************+**********-] 1
290 1 2 ARG H 1 17 ILE MD . . 5.000 19.916 19.059 20.952 15.952 19 25 [**************-***+******] 1
291 1 2 ARG H 1 18 PRO QD . . 5.000 24.636 24.225 25.097 20.097 14 25 [*************+**********-] 1
292 1 2 ARG H 1 22 GLY QA . . 5.000 23.244 22.333 24.803 19.803 11 25 [**********+*************-] 1
293 1 2 ARG H 1 24 ARG HA . . 5.000 21.743 20.635 23.762 18.762 11 25 [**********+*************-] 1
294 1 2 ARG H 1 24 ARG QB . . 5.000 21.565 20.448 23.437 18.437 11 25 [********-*+**************] 1
295 1 2 ARG H 1 24 ARG QG . . 5.000 20.639 19.280 22.663 17.663 11 25 [**********+*************-] 1
296 1 2 ARG H 1 26 CYS QB . . 5.000 19.039 18.160 20.429 15.429 11 25 [**********+*************-] 1
297 1 2 ARG H 1 27 ILE HA . . 5.000 16.847 15.798 18.576 13.576 11 25 [**********+*************-] 1
298 1 2 ARG H 1 27 ILE MG . . 5.000 13.630 12.728 15.219 10.219 11 25 [**********+*************-] 1
299 1 2 ARG H 1 27 ILE QG . . 5.000 16.420 15.555 17.979 12.979 11 25 [********-*+**************] 1
300 1 2 ARG H 1 27 ILE MD . . 5.000 15.863 15.000 17.409 12.409 11 25 [********-*+**************] 1
301 1 2 ARG H 1 28 GLY QA . . 5.000 16.288 15.235 18.316 13.316 23 25 [********-*************+**] 1
302 1 2 ARG H 1 29 LEU H . . 5.000 18.652 17.504 20.349 15.349 11 25 [**********+*************-] 1
303 1 2 ARG H 1 29 LEU QB . . 5.000 17.496 16.589 18.808 13.808 23 25 [********-*************+**] 1
304 1 2 ARG H 1 29 LEU QD . . 5.000 14.895 13.456 16.319 11.319 23 25 [***************-******+**] 1
305 1 2 ARG H 1 30 CYS HA . . 5.000 15.498 14.430 16.847 11.847 21 25 [********************+***-] 1
306 1 2 ARG H 1 31 ALA MB . . 5.000 10.696 9.573 12.613 7.613 23 25 [********-*************+**] 1
307 1 2 ARG H 1 32 PRO QB . . 5.000 14.637 13.550 16.099 11.099 23 25 [********-*************+**] 1
308 1 2 ARG H 1 32 PRO QD . . 5.000 13.482 12.352 15.252 10.252 23 25 [********-*************+**] 1
309 1 2 ARG H 1 35 LEU QD . . 5.000 7.554 5.479 9.864 4.864 20 24 "[******** **********+***-*]" 1
310 1 2 ARG H 1 36 THR H . . 5.000 12.829 11.682 14.075 9.075 23 25 [********-*************+**] 1
311 1 2 ARG H 1 36 THR MG . . 5.000 13.104 11.833 14.279 9.279 11 25 [********-*+**************] 1
312 1 2 ARG H 1 37 SER QB . . 5.000 11.998 10.727 12.969 7.969 21 25 [****-***************+****] 1
313 1 2 ARG H 1 38 ARG HE . . 5.000 8.748 5.470 11.753 6.753 18 24 "[**************** +*-*****]" 1
314 1 2 ARG QB 1 7 LEU QD . . 5.000 6.751 5.711 7.717 2.717 4 25 [***+*******************-*] 1
315 1 2 ARG QG 1 7 LEU QD . . 5.000 7.663 5.920 8.914 3.914 23 25 [******************-***+**] 1
316 1 2 ARG QD 1 9 GLU QG . . 5.000 9.478 7.120 11.231 6.231 19 25 [*********-********+******] 1
317 1 2 ARG QD 1 32 PRO QB . . 5.000 13.019 10.994 14.600 9.600 20 25 [******************-+*****] 1
318 1 2 ARG QD 1 9 GLU QB . . 5.000 9.188 7.067 10.582 5.582 18 25 [*********-*******+*******] 1
319 1 2 ARG QD 1 13 ARG QB . . 5.000 12.883 10.705 13.999 8.999 15 25 [*********-****+**********] 1
320 1 2 ARG QD 1 14 CYS HA . . 5.000 18.004 15.962 19.094 14.094 20 25 [*********-*********+*****] 1
321 1 2 ARG QD 1 18 PRO QB . . 5.000 24.264 22.589 25.170 20.170 20 25 [*********-*********+*****] 1
322 1 2 ARG QD 1 18 PRO QG . . 5.000 23.887 22.225 24.879 19.879 8 25 [*******+*-***************] 1
323 1 2 ARG QD 1 19 ASP HA . . 5.000 26.886 25.333 27.953 22.953 5 25 [****+****-***************] 1
324 1 2 ARG QD 1 23 MET QB . . 5.000 19.625 18.079 20.746 15.746 20 25 [*********-*********+*****] 1
325 1 2 ARG QD 1 23 MET QG . . 5.000 17.937 16.357 18.966 13.966 20 25 [*********-*********+*****] 1
326 1 2 ARG QD 1 24 ARG QB . . 5.000 19.955 18.384 21.168 16.168 21 25 [******************-*+****] 1
327 1 2 ARG QD 1 29 LEU QB . . 5.000 15.524 14.050 16.864 11.864 20 25 [******************-+*****] 1
328 1 2 ARG QD 1 32 PRO QG . . 5.000 13.495 11.467 15.235 10.235 23 25 [******************-***+**] 1
329 1 2 ARG QD 1 33 ALA MB . . 5.000 11.077 9.458 12.573 7.573 20 25 [******-************+*****] 1
330 1 2 ARG QD 1 34 CYS HA . . 5.000 9.238 7.185 10.891 5.891 20 25 [******-************+*****] 1
331 1 2 ARG QD 1 38 ARG QG . . 5.000 4.409 3.198 6.115 1.115 23 5 "[ . 1* . - * +*.]" 1
332 1 1 ASP QB 1 2 ARG HE . . 5.000 5.941 4.482 7.628 2.628 12 16 "[* **** *1*+-*. ** 2*** *]" 1
333 1 2 ARG HE 1 3 TYR QB . . 5.000 7.275 5.817 8.535 3.535 12 25 [***********+*****-*******] 1
334 1 2 ARG HE 1 4 GLN HA . . 5.000 11.060 9.856 12.137 7.137 21 25 [******************-*+****] 1
335 1 2 ARG HE 1 4 GLN QG . . 5.000 10.277 9.023 11.501 6.501 22 25 [*********************+*-*] 1
336 1 2 ARG HE 1 5 ASP QB . . 5.000 6.910 5.375 7.792 2.792 3 24 [**+-*****1***************] 1
337 1 2 ARG HE 1 6 CYS QB . . 5.000 7.245 5.175 8.459 3.459 22 24 [*****************-***+**.] 1
338 1 2 ARG HE 1 7 LEU HA . . 5.000 12.892 10.841 14.356 9.356 22 25 [*********************+**-] 1
339 1 2 ARG HE 1 7 LEU QB . . 5.000 11.141 9.373 12.548 7.548 21 25 [*****************-**+****] 1
340 1 2 ARG HE 1 7 LEU HG . . 5.000 13.764 12.085 15.911 10.911 3 25 [**+**********-***********] 1
341 1 2 ARG HE 1 7 LEU QD . . 5.000 10.048 8.627 12.020 7.020 22 25 [*************-*******+***] 1
342 1 2 ARG HE 1 8 SER QB . . 5.000 11.735 10.122 13.218 8.218 5 25 [****+****-***************] 1
343 1 2 ARG HE 1 9 GLU HA . . 5.000 14.805 12.706 16.046 11.046 3 25 [**+******-***************] 1
344 1 2 ARG HE 1 9 GLU QB . . 5.000 11.269 9.337 12.380 7.380 5 25 [****+*******************-] 1
345 1 2 ARG HE 1 9 GLU QG . . 5.000 11.590 9.043 13.205 8.205 24 25 [*********-*************+*] 1
346 1 2 ARG HE 1 10 CYS HA . . 5.000 15.128 12.820 16.413 11.413 21 25 [********************+***-] 1
347 1 2 ARG HE 1 10 CYS QB . . 5.000 12.293 10.173 13.595 8.595 21 25 [********************+***-] 1
348 1 2 ARG HE 1 11 ASN HA . . 5.000 18.201 16.005 19.663 14.663 22 25 [*********************+**-] 1
349 1 2 ARG HE 1 11 ASN QB . . 5.000 15.561 13.630 17.086 12.086 22 25 [*********************+**-] 1
350 1 2 ARG HE 1 12 SER QB . . 5.000 16.354 14.598 17.979 12.979 8 25 [*******+*-***************] 1
351 1 2 ARG HE 1 13 ARG QB . . 5.000 15.345 13.167 16.570 11.570 21 25 [********************+***-] 1
352 1 2 ARG HE 1 14 CYS HA . . 5.000 21.202 18.357 22.554 17.554 21 25 [********************+***-] 1
353 1 2 ARG HE 1 14 CYS QB . . 5.000 17.579 14.987 18.884 13.884 5 25 [****+*******************-] 1
354 1 2 ARG HE 1 15 THR HA . . 5.000 23.168 20.833 24.520 19.520 22 25 [*********************+**-] 1
355 1 2 ARG HE 1 15 THR HB . . 5.000 21.685 19.754 22.949 17.949 22 25 [*********************+**-] 1
356 1 2 ARG HE 1 15 THR MG . . 5.000 18.722 17.120 19.774 14.774 3 25 [**+*********************-] 1
357 1 2 ARG HE 1 17 ILE MG . . 5.000 22.589 19.985 24.209 19.209 21 25 [********************+***-] 1
358 1 2 ARG HE 1 17 ILE QG . . 5.000 21.843 18.773 23.510 18.510 21 25 [********************+***-] 1
359 1 2 ARG HE 1 18 PRO QG . . 5.000 27.686 25.053 29.018 24.018 21 25 [********************+***-] 1
360 1 2 ARG HE 1 18 PRO QD . . 5.000 25.725 23.097 27.002 22.002 21 25 [********************+***-] 1
361 1 2 ARG HE 1 19 ASP QB . . 5.000 26.749 23.869 28.713 23.713 21 25 [********************+***-] 1
362 1 2 ARG HE 1 21 ALA MB . . 5.000 25.428 22.657 27.801 22.801 21 25 [********************+***-] 1
363 1 2 ARG HE 1 22 GLY QA . . 5.000 24.250 20.941 27.054 22.054 21 25 [********************+***-] 1
364 1 2 ARG HE 1 23 MET QB . . 5.000 22.969 20.209 25.104 20.104 21 25 [********************+***-] 1
365 1 2 ARG HE 1 23 MET QG . . 5.000 21.098 18.580 22.999 17.999 21 25 [********************+***-] 1
366 1 2 ARG HE 1 24 ARG HA . . 5.000 23.801 20.668 26.442 21.442 21 25 [********************+***-] 1
367 1 2 ARG HE 1 24 ARG QB . . 5.000 23.319 20.514 25.787 20.787 11 25 [**********+*************-] 1
368 1 2 ARG HE 1 24 ARG QG . . 5.000 22.650 19.579 25.327 20.327 11 25 [**********+*************-] 1
369 1 2 ARG HE 1 24 ARG QD . . 5.000 23.400 20.757 26.210 21.210 21 25 [*****************-**+****] 1
370 1 2 ARG HE 1 25 ALA HA . . 5.000 23.708 20.159 26.559 21.559 11 25 [**********+*************-] 1
371 1 2 ARG HE 1 25 ALA MB . . 5.000 20.963 17.854 23.363 18.363 21 25 [********************+***-] 1
372 1 2 ARG HE 1 26 CYS HA . . 5.000 21.244 17.400 24.254 19.254 21 25 [********************+***-] 1
373 1 2 ARG HE 1 26 CYS QB . . 5.000 19.960 16.673 22.540 17.540 21 25 [********************+***-] 1
374 1 2 ARG HE 1 27 ILE HA . . 5.000 18.411 15.052 21.110 16.110 21 25 [********************+***-] 1
375 1 2 ARG HE 1 27 ILE QG . . 5.000 18.001 15.242 20.290 15.290 21 25 [********************+***-] 1
376 1 2 ARG HE 1 27 ILE MD . . 5.000 17.677 15.336 19.684 14.684 21 25 [********************+***-] 1
377 1 2 ARG HE 1 28 GLY QA . . 5.000 17.955 15.081 20.510 15.510 11 25 [**********+******-*******] 1
378 1 2 ARG HE 1 29 LEU HA . . 5.000 18.902 15.428 21.575 16.575 11 25 [**********+*************-] 1
379 1 2 ARG HE 1 29 LEU QB . . 5.000 18.130 14.743 20.382 15.382 21 25 [********************+***-] 1
380 1 2 ARG HE 1 30 CYS QB . . 5.000 14.675 11.186 17.009 12.009 21 25 [********************+***-] 1
381 1 2 ARG HE 1 31 ALA HA . . 5.000 13.100 9.801 15.711 10.711 11 25 [**********+******-*******] 1
382 1 2 ARG HE 1 31 ALA MB . . 5.000 12.289 9.366 14.576 9.576 5 25 [****+************-*******] 1
383 1 2 ARG HE 1 32 PRO HA . . 5.000 14.952 11.412 17.860 12.860 11 25 [**********+******-*******] 1
384 1 2 ARG HE 1 32 PRO QB . . 5.000 15.205 12.174 17.747 12.747 11 25 [**********+******-*******] 1
385 1 2 ARG HE 1 32 PRO QG . . 5.000 15.851 12.720 18.411 13.411 11 25 [**********+******-*******] 1
386 1 2 ARG HE 1 32 PRO QD . . 5.000 14.670 11.614 17.137 12.137 11 25 [**********+******-*******] 1
387 1 2 ARG HE 1 33 ALA HA . . 5.000 14.941 11.384 17.616 12.616 11 25 [**********+*************-] 1
388 1 2 ARG HE 1 34 CYS HA . . 5.000 10.925 6.999 13.537 8.537 21 25 [********************+***-] 1
389 1 2 ARG HE 1 34 CYS QB . . 5.000 10.059 6.863 12.307 7.307 21 25 [********************+***-] 1
390 1 2 ARG HE 1 35 LEU QD . . 5.000 8.395 5.888 11.133 6.133 5 25 [-***+********************] 1
391 1 2 ARG HE 1 36 THR HA . . 5.000 12.632 9.691 15.683 10.683 11 25 [**********+******-*******] 1
392 1 2 ARG HE 1 36 THR MG . . 5.000 12.429 10.095 14.830 9.830 11 25 [**********+**-***********] 1
393 1 2 ARG HE 1 37 SER QB . . 5.000 10.550 6.778 12.899 7.899 15 25 [**************+*********-] 1
394 1 3 TYR H 1 14 CYS HA . . 5.000 18.506 18.131 18.885 13.885 7 25 [******+*******-**********] 1
395 1 3 TYR H 1 18 PRO HA . . 5.000 26.410 25.429 27.287 22.287 11 25 [**********+************-*] 1
396 1 3 TYR H 1 19 ASP H . . 5.000 25.834 24.915 26.802 21.802 11 25 [**********+*************-] 1
397 1 3 TYR H 1 30 CYS HA . . 5.000 13.405 12.496 14.823 9.823 21 25 [******************-*+****] 1
398 1 3 TYR H 1 32 PRO QB . . 5.000 12.469 11.649 13.786 8.786 23 25 [********-*************+**] 1
399 1 3 TYR H 1 37 SER HA . . 5.000 12.761 11.616 13.954 8.954 21 25 [********************+*-**] 1
400 1 3 TYR QB 1 17 ILE QG . . 5.000 16.938 16.142 17.961 12.961 23 25 [******************-***+**] 1
401 1 3 TYR QB 1 32 PRO QB . . 5.000 9.999 9.178 11.158 6.158 23 25 [*************-********+**] 1
402 1 3 TYR QB 1 7 LEU QB . . 5.000 5.003 4.642 5.399 0.399 10 0 "[ . 1 . 2 .]" 1
403 1 3 TYR QB 1 9 GLU QB . . 5.000 9.076 8.585 9.644 4.644 7 25 [******+*****************-] 1
404 1 3 TYR QB 1 9 GLU QG . . 5.000 9.681 8.327 10.562 5.562 11 25 [*****-****+**************] 1
405 1 3 TYR QB 1 14 CYS HA . . 5.000 16.404 16.070 16.882 11.882 23 25 [**************-*******+**] 1
406 1 3 TYR QB 1 18 PRO QB . . 5.000 22.146 21.396 23.054 18.054 23 25 [******************-***+**] 1
407 1 3 TYR QB 1 23 MET QB . . 5.000 16.720 15.132 18.186 13.186 11 25 [**********+************-*] 1
408 1 3 TYR QB 1 23 MET QG . . 5.000 15.126 14.239 16.359 11.359 11 25 [********-*+**************] 1
409 1 3 TYR QB 1 24 ARG QG . . 5.000 15.280 14.142 17.168 12.168 11 25 [**********+*************-] 1
410 1 3 TYR QB 1 29 LEU QB . . 5.000 12.906 12.167 14.264 9.264 23 25 [******************-***+**] 1
411 1 3 TYR QB 1 31 ALA MB . . 5.000 6.509 5.683 8.385 3.385 23 25 [******************-***+**] 1
412 1 3 TYR QB 1 32 PRO QG . . 5.000 9.869 9.014 11.482 6.482 23 25 [********-*************+**] 1
413 1 3 TYR QD 1 17 ILE MG . . 5.000 16.199 15.438 17.915 12.915 23 25 [******************-***+**] 1
414 1 3 TYR QD 1 17 ILE QG . . 5.000 15.857 15.042 17.405 12.405 23 25 [***************-******+**] 1
415 1 3 TYR QD 1 26 CYS QB . . 5.000 13.498 12.779 15.019 10.019 23 25 [*******-**************+**] 1
416 1 3 TYR QD 1 27 ILE QG . . 5.000 11.265 10.500 12.689 7.689 23 25 [***************-******+**] 1
417 1 3 TYR QE 1 17 ILE QG . . 5.000 15.230 14.225 17.313 12.313 23 25 [******************-***+**] 1
418 1 3 TYR QE 1 22 GLY QA . . 5.000 15.788 14.853 18.022 13.022 23 25 [******************-***+**] 1
419 1 3 TYR QE 1 26 CYS QB . . 5.000 12.553 11.607 14.526 9.526 23 25 [*******-**************+**] 1
420 1 3 TYR QE 1 27 ILE QG . . 5.000 10.520 9.639 12.449 7.449 23 25 [*******-**************+**] 1
421 1 3 TYR QE 1 28 GLY QA . . 5.000 8.264 7.130 11.167 6.167 23 25 [******************-***+**] 1
422 1 3 TYR QE 1 37 SER QB . . 5.000 8.533 5.828 10.439 5.439 12 25 [***********+**********-**] 1
423 1 2 ARG HE 1 4 GLN H . . 5.000 8.675 7.122 9.826 4.826 12 25 [***********+******-******] 1
424 1 4 GLN H 1 11 ASN QB . . 5.000 9.949 9.389 11.017 6.017 23 25 [***************-******+**] 1
425 1 4 GLN H 1 13 ARG HE . . 5.000 15.942 13.562 18.152 13.152 12 25 [***********+****-********] 1
426 1 4 GLN H 1 14 CYS HA . . 5.000 17.473 17.056 17.786 12.786 23 25 [**************-*******+**] 1
427 1 4 GLN H 1 15 THR H . . 5.000 16.230 16.022 16.465 11.465 11 25 [**********+***-**********] 1
428 1 4 GLN H 1 17 ILE MG . . 5.000 18.932 18.497 19.942 14.942 23 25 [******************-***+**] 1
429 1 4 GLN H 1 17 ILE QG . . 5.000 18.347 17.563 19.172 14.172 23 25 [**********************+*-] 1
430 1 4 GLN H 1 17 ILE MD . . 5.000 17.647 16.654 18.524 13.524 10 25 [*********+****-**********] 1
431 1 4 GLN H 1 18 PRO HA . . 5.000 24.814 23.676 25.681 20.681 11 25 [**********+************-*] 1
432 1 4 GLN H 1 19 ASP H . . 5.000 24.478 23.575 25.401 20.401 11 25 [**********+*************-] 1
433 1 4 GLN H 1 19 ASP HA . . 5.000 26.073 25.198 27.431 22.431 11 25 [**********+************-*] 1
434 1 4 GLN H 1 19 ASP QB . . 5.000 22.621 21.941 23.634 18.634 7 25 [******+****************-*] 1
435 1 4 GLN H 1 20 TYR QD . . 5.000 21.969 20.195 24.096 19.096 11 25 [**********+****-*********] 1
436 1 4 GLN H 1 23 MET QG . . 5.000 16.306 15.423 17.575 12.575 11 25 [********-*+**************] 1
437 1 4 GLN H 1 27 ILE MG . . 5.000 10.538 9.797 11.943 6.943 11 25 [**********+*************-] 1
438 1 4 GLN H 1 27 ILE QG . . 5.000 13.425 12.770 14.777 9.777 11 25 [********-*+**************] 1
439 1 4 GLN H 1 29 LEU QB . . 5.000 15.190 14.573 16.256 11.256 23 25 [**********************+*-] 1
440 1 4 GLN H 1 29 LEU QD . . 5.000 13.290 12.101 14.384 9.384 23 25 [***-******************+**] 1
441 1 4 GLN H 1 30 CYS HA . . 5.000 13.380 12.686 14.391 9.391 21 25 [*****-**************+****] 1
442 1 4 GLN H 1 32 PRO QB . . 5.000 12.733 11.896 13.631 8.631 5 25 [****+********-***********] 1
443 1 4 GLN H 1 34 CYS HA . . 5.000 10.974 10.340 11.984 6.984 21 25 [********************+-***] 1
444 1 4 GLN H 1 35 LEU QD . . 5.000 6.497 5.189 8.495 3.495 20 22 "[-******* ** *******+*** *]" 1
445 1 4 GLN H 1 37 SER HA . . 5.000 14.685 13.088 15.509 10.509 24 25 [**********************-+*] 1
446 1 1 ASP HA 1 4 GLN QG . . 5.000 5.398 4.937 6.478 1.478 20 9 "[ **-** 1 . *+** .]" 1
447 1 3 TYR HA 1 4 GLN QG . . 5.000 5.584 5.069 6.523 1.523 8 12 "[ * . -+*1 .******* *]" 1
448 1 4 GLN QG 1 5 ASP HA . . 5.000 5.687 5.181 5.836 0.836 7 21 "[**-***+ ********** 2* ***]" 1
449 1 4 GLN QG 1 7 LEU QB . . 5.000 4.850 4.562 5.259 0.259 23 0 "[ . 1 . 2 .]" 1
450 1 4 GLN QG 1 7 LEU HG . . 5.000 6.849 5.565 8.103 3.103 23 25 [*************-********+**] 1
451 1 4 GLN QG 1 7 LEU QD . . 5.000 4.952 4.136 5.782 0.782 18 5 "[ . 1 . + * * -*]" 1
452 1 4 GLN QG 1 14 CYS HA . . 5.000 16.269 15.488 16.948 11.948 23 25 [*********************-+**] 1
453 1 4 GLN QG 1 15 THR MG . . 5.000 12.813 11.803 13.431 8.431 14 25 [*************+*******-***] 1
454 1 4 GLN QG 1 16 TYR HA . . 5.000 18.957 17.922 19.591 14.591 2 25 [*+*****************-*****] 1
455 1 4 GLN QG 1 17 ILE QG . . 5.000 16.855 15.671 17.949 12.949 23 25 [*******************-**+**] 1
456 1 4 GLN QG 1 18 PRO HA . . 5.000 21.984 20.739 23.323 18.323 23 25 [*******-**************+**] 1
457 1 4 GLN QG 1 19 ASP HA . . 5.000 23.195 22.333 24.860 19.860 11 25 [**********+*******-******] 1
458 1 4 GLN QG 1 21 ALA MB . . 5.000 19.016 18.322 20.402 15.402 23 25 [*******-**************+**] 1
459 1 4 GLN QG 1 24 ARG QB . . 5.000 16.127 15.422 17.796 12.796 11 25 [***-******+**************] 1
460 1 4 GLN QG 1 24 ARG QG . . 5.000 14.948 13.981 16.752 11.752 11 25 [*****-****+**************] 1
461 1 4 GLN QG 1 25 ALA MB . . 5.000 16.056 15.311 17.350 12.350 23 25 [*****-****************+**] 1
462 1 4 GLN QG 1 27 ILE MD . . 5.000 11.357 10.652 12.802 7.802 11 25 [**********+*******-******] 1
463 1 4 GLN QG 1 29 LEU HA . . 5.000 14.658 13.398 15.795 10.795 23 25 [*****-****************+**] 1
464 1 4 GLN QG 1 29 LEU QB . . 5.000 14.511 13.532 15.502 10.502 23 25 [*****-****************+**] 1
465 1 4 GLN QG 1 30 CYS HA . . 5.000 13.437 12.377 14.309 9.309 12 25 [*****-*****+*************] 1
466 1 4 GLN QG 1 31 ALA MB . . 5.000 7.830 6.820 8.928 3.928 23 25 [*****-****************+**] 1
467 1 4 GLN QG 1 32 PRO HA . . 5.000 12.101 11.029 13.269 8.269 19 25 [*****-************+******] 1
468 1 4 GLN QG 1 33 ALA MB . . 5.000 12.366 11.577 12.957 7.957 21 25 [*****-**************+****] 1
469 1 4 GLN QG 1 34 CYS HA . . 5.000 12.090 11.087 12.932 7.932 21 25 [*****-**************+****] 1
470 1 4 GLN QG 1 35 LEU HA . . 5.000 10.127 8.628 11.571 6.571 19 25 [******************+***-**] 1
471 1 4 GLN QG 1 35 LEU QD . . 5.000 6.997 5.865 9.139 4.139 20 25 [***********-*******+*****] 1
472 1 4 GLN QG 1 36 THR HA . . 5.000 14.120 12.217 15.703 10.703 19 25 [******************+***-**] 1
473 1 4 GLN QG 1 36 THR HB . . 5.000 15.364 13.554 17.217 12.217 19 25 [*************-****+******] 1
474 1 4 GLN QG 1 36 THR MG . . 5.000 13.057 11.454 14.366 9.366 18 25 [*****-***********+*******] 1
475 1 4 GLN QG 1 37 SER HA . . 5.000 15.600 13.475 16.802 11.802 19 25 [******************+***-**] 1
476 1 4 GLN QG 1 38 ARG QG . . 5.000 10.082 7.791 11.902 6.902 19 25 [****-*************+******] 1
477 1 1 ASP QB 1 4 GLN QE . . 5.000 6.275 4.519 8.010 3.010 16 20 "[*** * ***** * *+****** -*]" 1
478 1 2 ARG H 1 4 GLN QE . . 5.000 8.149 6.058 9.341 4.341 22 25 [************-********+***] 1
479 1 2 ARG HA 1 4 GLN QE . . 5.000 8.355 7.258 8.975 3.975 24 25 [******************-****+*] 1
480 1 2 ARG QB 1 4 GLN QE . . 5.000 8.392 6.822 9.200 4.200 22 25 [************-********+***] 1
481 1 2 ARG QG 1 4 GLN QE . . 5.000 9.119 7.902 9.991 4.991 24 25 [************-**********+*] 1
482 1 2 ARG QD 1 4 GLN QE . . 5.000 9.780 7.369 10.695 5.695 23 25 [************-*********+**] 1
483 1 4 GLN H 1 4 GLN QE . . 5.000 4.645 3.347 5.698 0.698 22 1 "[ . 1 . 2 + .]" 1
484 1 4 GLN QE 1 5 ASP H . . 5.000 5.571 4.243 6.267 1.267 23 15 "[ ****- * * **** 2**+*.]" 1
485 1 4 GLN QE 1 5 ASP HA . . 5.000 6.323 3.766 7.681 2.681 23 19 "[-****** ********* 2* +*.]" 1
486 1 4 GLN QE 1 5 ASP QB . . 5.000 6.569 4.641 7.418 2.418 23 24 "[****************** -**+**]" 1
487 1 4 GLN QE 1 6 CYS HA . . 5.000 8.997 7.290 10.241 5.241 10 25 [*******-*+***************] 1
488 1 4 GLN QE 1 6 CYS QB . . 5.000 7.482 6.415 8.539 3.539 15 25 [*******-******+**********] 1
489 1 4 GLN QE 1 7 LEU H . . 5.000 6.534 4.842 8.212 3.212 10 21 "[****-** + ********2*****]" 1
490 1 4 GLN QE 1 7 LEU HA . . 5.000 7.745 5.700 10.085 5.085 10 25 [*******-*+***************] 1
491 1 4 GLN QE 1 7 LEU QB . . 5.000 4.919 3.063 7.063 2.063 10 7 "[ **.* + * * 2 - .]" 1
492 1 4 GLN QE 1 8 SER H . . 5.000 5.820 3.474 7.773 2.773 3 13 "[ +*-* * **** * 2* **.]" 1
493 1 4 GLN QE 1 8 SER HA . . 5.000 6.512 3.637 9.270 4.270 13 16 "[ ***** **-*+** * 2* **.]" 1
494 1 4 GLN QE 1 9 GLU HA . . 5.000 10.022 7.278 12.383 7.383 3 25 [**+****************-*****] 1
495 1 4 GLN QE 1 9 GLU QB . . 5.000 9.037 7.101 10.673 5.673 3 25 [**+****************-*****] 1
496 1 4 GLN QE 1 10 CYS H . . 5.000 9.375 7.265 11.390 6.390 10 25 [*********+*********-*****] 1
497 1 4 GLN QE 1 10 CYS HA . . 5.000 11.633 9.486 13.809 8.809 10 25 [*******-*+***************] 1
498 1 4 GLN QE 1 10 CYS QB . . 5.000 8.880 7.200 10.920 5.920 10 25 [*******-*+***************] 1
499 1 4 GLN QE 1 11 ASN HA . . 5.000 10.952 8.266 13.794 8.794 13 25 [*******-****+************] 1
500 1 4 GLN QE 1 11 ASN QB . . 5.000 8.062 5.475 10.662 5.662 13 24 "[******* ****+******-*****]" 1
501 1 4 GLN QE 1 12 SER HA . . 5.000 12.060 9.110 15.226 10.226 13 25 [************+******-*****] 1
502 1 4 GLN QE 1 13 ARG HA . . 5.000 14.419 11.644 16.958 11.958 3 25 [**+****************-*****] 1
503 1 4 GLN QE 1 13 ARG QB . . 5.000 11.910 9.547 13.748 8.748 3 25 [**+****************-*****] 1
504 1 4 GLN QE 1 13 ARG QG . . 5.000 12.950 9.657 15.540 10.540 3 25 [**+****-*****************] 1
505 1 4 GLN QE 1 14 CYS QB . . 5.000 12.479 10.448 14.827 9.827 10 25 [*******-*+***************] 1
506 1 4 GLN QE 1 15 THR HA . . 5.000 14.885 12.303 18.029 13.029 13 25 [*******-****+************] 1
507 1 4 GLN QE 1 15 THR HB . . 5.000 13.251 10.482 16.554 11.554 13 25 [************+******-*****] 1
508 1 4 GLN QE 1 16 TYR HA . . 5.000 18.147 15.307 21.343 16.343 13 25 [************+******-*****] 1
509 1 4 GLN QE 1 16 TYR QB . . 5.000 16.139 13.811 18.711 13.711 13 25 [************+******-*****] 1
510 1 4 GLN QE 1 17 ILE HA . . 5.000 19.971 17.402 22.921 17.921 13 25 [************+******-*****] 1
511 1 4 GLN QE 1 17 ILE HB . . 5.000 17.911 15.400 20.691 15.691 13 25 [*******-****+************] 1
512 1 4 GLN QE 1 17 ILE MG . . 5.000 16.522 14.459 18.799 13.799 10 25 [*******-*+***************] 1
513 1 4 GLN QE 1 17 ILE QG . . 5.000 16.296 13.673 19.192 14.192 13 25 [************+******-*****] 1
514 1 4 GLN QE 1 18 PRO HA . . 5.000 20.999 17.977 23.888 18.888 3 25 [**+****-*****************] 1
515 1 4 GLN QE 1 18 PRO QB . . 5.000 20.459 17.824 23.029 18.029 13 25 [*******-****+************] 1
516 1 4 GLN QE 1 18 PRO QG . . 5.000 20.746 18.337 23.352 18.352 13 25 [*******-****+************] 1
517 1 4 GLN QE 1 18 PRO QD . . 5.000 19.203 16.882 21.843 16.843 13 25 [*******-****+************] 1
518 1 4 GLN QE 1 19 ASP QB . . 5.000 19.605 17.306 22.739 17.739 10 25 [*******-*+***************] 1
519 1 4 GLN QE 1 20 TYR HA . . 5.000 18.936 16.615 22.272 17.272 3 25 [**+****-*****************] 1
520 1 4 GLN QE 1 20 TYR QB . . 5.000 18.065 15.785 21.080 16.080 3 25 [**+*********************-] 1
521 1 4 GLN QE 1 21 ALA HA . . 5.000 19.936 17.308 22.976 17.976 10 25 [********-+***************] 1
522 1 4 GLN QE 1 21 ALA MB . . 5.000 18.289 16.139 20.786 15.786 10 25 [********-+***************] 1
523 1 4 GLN QE 1 22 GLY QA . . 5.000 18.069 16.133 20.515 15.515 10 25 [********-+***************] 1
524 1 4 GLN QE 1 23 MET H . . 5.000 18.730 16.444 21.503 16.503 10 25 [*******-*+***************] 1
525 1 4 GLN QE 1 23 MET HA . . 5.000 16.796 14.574 19.406 14.406 10 25 [*******-*+***************] 1
526 1 4 GLN QE 1 23 MET QB . . 5.000 15.401 13.297 17.966 12.966 13 25 [*******-****+************] 1
527 1 4 GLN QE 1 23 MET QG . . 5.000 13.793 11.521 16.360 11.360 10 25 [*******-*+***************] 1
528 1 4 GLN QE 1 23 MET ME . . 5.000 14.218 11.861 16.924 11.924 13 25 [*******-****+************] 1
529 1 4 GLN QE 1 24 ARG H . . 5.000 17.243 15.056 20.335 15.335 10 25 [********-+***************] 1
530 1 4 GLN QE 1 24 ARG HA . . 5.000 15.022 12.703 18.160 13.160 10 25 [********-+***************] 1
531 1 4 GLN QE 1 24 ARG QB . . 5.000 15.301 13.055 18.110 13.110 10 25 [********-+***************] 1
532 1 4 GLN QE 1 24 ARG QG . . 5.000 14.053 12.418 17.070 12.070 10 25 [********-+***************] 1
533 1 4 GLN QE 1 24 ARG QD . . 5.000 14.574 11.646 18.895 13.895 10 25 [*******-*+***************] 1
534 1 4 GLN QE 1 25 ALA HA . . 5.000 16.843 14.301 19.972 14.972 10 25 [********-+***************] 1
535 1 4 GLN QE 1 25 ALA MB . . 5.000 15.593 13.561 18.151 13.151 10 25 [********-+***************] 1
536 1 4 GLN QE 1 26 CYS HA . . 5.000 16.400 14.255 19.051 14.051 10 25 [********-+***************] 1
537 1 4 GLN QE 1 26 CYS QB . . 5.000 14.887 12.976 17.285 12.285 10 25 [*******-*+***************] 1
538 1 4 GLN QE 1 27 ILE HA . . 5.000 12.397 10.338 15.067 10.067 10 25 [*******-*+***************] 1
539 1 4 GLN QE 1 27 ILE HB . . 5.000 12.710 10.531 15.678 10.678 10 25 [********-+***************] 1
540 1 4 GLN QE 1 27 ILE QG . . 5.000 11.701 9.608 14.161 9.161 10 25 [*******-*+***************] 1
541 1 4 GLN QE 1 27 ILE MD . . 5.000 10.608 8.510 12.952 7.952 3 25 [**+****-*****************] 1
542 1 4 GLN QE 1 28 GLY QA . . 5.000 11.481 9.139 14.153 9.153 10 25 [********-+***************] 1
543 1 4 GLN QE 1 29 LEU HA . . 5.000 14.569 12.097 17.131 12.131 10 25 [********-+***************] 1
544 1 4 GLN QE 1 29 LEU QB . . 5.000 14.361 12.262 16.735 11.735 10 25 [********-+***************] 1
545 1 4 GLN QE 1 29 LEU HG . . 5.000 16.360 13.817 19.077 14.077 4 25 [***+****-****************] 1
546 1 4 GLN QE 1 29 LEU QD . . 5.000 12.843 11.339 14.791 9.791 10 25 [********-+***************] 1
547 1 4 GLN QE 1 30 CYS HA . . 5.000 13.568 11.669 15.686 10.686 10 25 [********-+***************] 1
548 1 4 GLN QE 1 30 CYS QB . . 5.000 11.055 9.289 13.065 8.065 10 25 [********-+***************] 1
549 1 4 GLN QE 1 31 ALA HA . . 5.000 9.855 7.761 11.910 6.910 10 25 [********-+***************] 1
550 1 4 GLN QE 1 32 PRO HA . . 5.000 12.525 10.096 14.940 9.940 19 25 [********-*********+******] 1
551 1 4 GLN QE 1 32 PRO QB . . 5.000 12.732 10.507 14.875 9.875 10 25 [********-+***************] 1
552 1 4 GLN QE 1 32 PRO QG . . 5.000 11.890 9.483 14.251 9.251 10 25 [********-+***************] 1
553 1 4 GLN QE 1 32 PRO QD . . 5.000 10.633 8.302 12.931 7.931 10 25 [********-+***************] 1
554 1 4 GLN QE 1 33 ALA HA . . 5.000 15.251 13.268 17.138 12.138 10 25 [********-+***************] 1
555 1 4 GLN QE 1 33 ALA MB . . 5.000 12.724 11.204 14.308 9.308 15 25 [********-*****+**********] 1
556 1 4 GLN QE 1 34 CYS HA . . 5.000 12.922 11.186 14.419 9.419 15 25 [****-*********+**********] 1
557 1 4 GLN QE 1 34 CYS QB . . 5.000 9.831 8.302 11.248 6.248 15 25 [****-*********+**********] 1
558 1 4 GLN QE 1 35 LEU H . . 5.000 11.790 9.772 13.648 8.648 10 25 [********-+***************] 1
559 1 4 GLN QE 1 35 LEU QB . . 5.000 10.137 7.981 12.354 7.354 10 25 [*********+***-***********] 1
560 1 4 GLN QE 1 35 LEU HG . . 5.000 10.894 8.159 14.659 9.659 19 25 [****-*************+******] 1
561 1 4 GLN QE 1 35 LEU QD . . 5.000 7.729 5.544 10.071 5.071 19 25 [***********-******+******] 1
562 1 4 GLN QE 1 36 THR HA . . 5.000 15.106 12.376 17.234 12.234 19 25 [******************+***-**] 1
563 1 4 GLN QE 1 36 THR HB . . 5.000 16.136 13.172 18.590 13.590 19 25 [*************-****+******] 1
564 1 4 GLN QE 1 37 SER HA . . 5.000 16.653 14.360 17.978 12.978 15 25 [**************+*******-**] 1
565 1 4 GLN QE 1 37 SER QB . . 5.000 13.992 11.933 15.759 10.759 15 25 [****-*********+**********] 1
566 1 4 GLN QE 1 38 ARG HA . . 5.000 13.699 9.969 15.831 10.831 16 25 [***************+******-**] 1
567 1 4 GLN QE 1 38 ARG QB . . 5.000 11.878 8.873 14.165 9.165 19 25 [****-*************+******] 1
568 1 4 GLN QE 1 38 ARG QG . . 5.000 11.408 8.486 13.049 8.049 25 25 [****-*******************+] 1
569 1 3 TYR QB 1 4 GLN QE . . 5.000 5.183 3.225 6.769 1.769 19 12 "[ - *.*** 1 ** *+* * *]" 1
570 1 4 GLN QE 1 13 ARG QD . . 5.000 13.153 10.682 15.178 10.178 3 25 [-*+**********************] 1
571 1 4 GLN QE 1 38 ARG QD . . 5.000 11.775 8.360 13.915 8.915 8 25 [****-**+*****************] 1
572 1 2 ARG HE 1 5 ASP H . . 5.000 8.431 7.478 9.371 4.371 21 25 [*********-**********+****] 1
573 1 5 ASP H 1 11 ASN QD . . 5.000 9.789 7.880 12.110 7.110 13 25 [************+***-********] 1
574 1 5 ASP H 1 16 TYR QD . . 5.000 18.189 16.059 19.084 14.084 19 25 [******************+**-***] 1
575 1 5 ASP H 1 16 TYR QE . . 5.000 19.817 16.077 21.145 16.145 19 25 [******************+**-***] 1
576 1 5 ASP H 1 17 ILE QG . . 5.000 17.346 16.583 17.946 12.946 14 25 [*************+**********-] 1
577 1 5 ASP H 1 19 ASP H . . 5.000 23.584 22.694 24.286 19.286 11 25 [**********+*************-] 1
578 1 5 ASP H 1 20 TYR QD . . 5.000 21.707 20.114 23.534 18.534 11 25 [**********+****-*********] 1
579 1 5 ASP H 1 20 TYR QE . . 5.000 22.529 19.156 25.138 20.138 7 25 [******+********-*********] 1
580 1 5 ASP H 1 26 CYS QB . . 5.000 15.944 15.213 17.011 12.011 11 25 [**********+*************-] 1
581 1 5 ASP H 1 27 ILE QG . . 5.000 12.835 12.154 14.112 9.112 11 25 [**********+*************-] 1
582 1 5 ASP H 1 32 PRO QB . . 5.000 13.592 12.748 14.500 9.500 5 25 [****+********-***********] 1
583 1 4 GLN QE 1 6 CYS H . . 5.000 7.175 6.019 8.100 3.100 15 25 [**************+****-*****] 1
584 1 6 CYS H 1 11 ASN QD . . 5.000 9.175 7.417 11.315 6.315 13 25 [************+********-***] 1
585 1 6 CYS H 1 13 ARG QB . . 5.000 9.342 9.076 9.830 4.830 21 25 [*************-******+****] 1
586 1 6 CYS H 1 13 ARG HE . . 5.000 11.896 9.435 14.316 9.316 11 25 [**********+*****-********] 1
587 1 6 CYS H 1 14 CYS HA . . 5.000 14.275 13.856 14.529 9.529 17 25 [**************-*+********] 1
588 1 6 CYS H 1 16 TYR H . . 5.000 15.823 15.545 16.013 11.013 24 25 [**************-********+*] 1
589 1 6 CYS H 1 16 TYR QD . . 5.000 16.890 14.906 17.681 12.681 19 25 [******************+**-***] 1
590 1 6 CYS H 1 16 TYR QE . . 5.000 18.555 15.198 19.756 14.756 19 25 [******************+**-***] 1
591 1 6 CYS H 1 17 ILE H . . 5.000 17.440 17.245 17.641 12.641 11 25 [**********+***-**********] 1
592 1 6 CYS H 1 17 ILE MG . . 5.000 16.757 16.406 17.407 12.407 23 25 [******************-***+**] 1
593 1 6 CYS H 1 17 ILE QG . . 5.000 15.696 15.069 16.311 11.311 24 25 [***********************+-] 1
594 1 6 CYS H 1 18 PRO QG . . 5.000 21.417 21.181 21.637 16.637 23 25 [*******************-**+**] 1
595 1 6 CYS H 1 19 ASP H . . 5.000 22.004 21.290 22.657 17.657 11 25 [**********+****-*********] 1
596 1 6 CYS H 1 19 ASP HA . . 5.000 23.929 23.445 24.951 19.951 11 25 [**********+*************-] 1
597 1 6 CYS H 1 20 TYR QE . . 5.000 21.710 18.537 24.109 19.109 7 25 [******+********-*********] 1
598 1 6 CYS H 1 23 MET ME . . 5.000 15.644 15.124 16.668 11.668 11 25 [**********+*************-] 1
599 1 6 CYS H 1 24 ARG QB . . 5.000 17.108 16.389 18.683 13.683 11 25 [**********+*******-******] 1
600 1 6 CYS H 1 24 ARG HE . . 5.000 20.638 17.960 22.502 17.502 5 25 [***-+********************] 1
601 1 6 CYS H 1 27 ILE QG . . 5.000 11.394 10.830 12.831 7.831 11 25 [********-*+**************] 1
602 1 6 CYS H 1 29 LEU H . . 5.000 13.937 13.056 15.270 10.270 11 25 [**********+*******-******] 1
603 1 6 CYS H 1 29 LEU QB . . 5.000 13.470 12.863 14.269 9.269 11 25 [**********+*************-] 1
604 1 6 CYS H 1 30 CYS HA . . 5.000 10.812 10.113 11.614 6.614 23 25 [**********************+*-] 1
605 1 6 CYS H 1 32 PRO QB . . 5.000 11.988 11.397 12.684 7.684 5 25 [****+********-***********] 1
606 1 6 CYS H 1 32 PRO QG . . 5.000 11.861 11.265 12.793 7.793 5 25 [****+******-*************] 1
607 1 6 CYS H 1 33 ALA H . . 5.000 11.553 11.206 11.985 6.985 5 25 [****+********-***********] 1
608 1 2 ARG QB 1 6 CYS QB . . 5.000 4.014 3.709 4.881 . 0 0 "[ . 1 . 2 .]" 1
609 1 2 ARG QG 1 6 CYS QB . . 5.000 4.872 3.173 5.739 0.739 11 2 "[ . 1+ . - 2 .]" 1
610 1 4 GLN QG 1 6 CYS QB . . 5.000 6.566 6.022 6.942 1.942 8 25 [*****-*+*****************] 1
611 1 5 ASP HA 1 6 CYS QB . . 5.000 5.212 5.186 5.228 0.228 12 0 "[ . 1 . 2 .]" 1
612 1 5 ASP QB 1 6 CYS QB . . 5.000 3.847 3.677 3.997 . 0 0 "[ . 1 . 2 .]" 1
613 1 6 CYS QB 1 11 ASN QB . . 5.000 7.633 6.984 8.380 3.380 11 25 [**********+*******-******] 1
614 1 6 CYS QB 1 13 ARG QB . . 5.000 8.139 7.714 8.819 3.819 21 25 [*************-******+****] 1
615 1 6 CYS QB 1 13 ARG QG . . 5.000 8.842 7.813 9.836 4.836 22 25 [****-****************+***] 1
616 1 6 CYS QB 1 16 TYR HA . . 5.000 16.323 16.101 16.507 11.507 10 25 [*****-***+***************] 1
617 1 6 CYS QB 1 18 PRO QB . . 5.000 18.965 18.490 19.467 14.467 23 25 [******************-***+**] 1
618 1 6 CYS QB 1 18 PRO QG . . 5.000 18.617 18.291 19.088 14.088 23 25 [******************-***+**] 1
619 1 6 CYS QB 1 19 ASP QB . . 5.000 17.552 17.029 18.546 13.546 10 25 [*********+*******-*******] 1
620 1 6 CYS QB 1 23 MET ME . . 5.000 13.729 13.112 14.749 9.749 11 25 [**********+*******-******] 1
621 1 6 CYS QB 1 24 ARG QB . . 5.000 14.467 13.331 16.098 11.098 11 25 [**********+*******-******] 1
622 1 6 CYS QB 1 27 ILE QG . . 5.000 9.555 8.827 11.031 6.031 11 25 [**********+*******-******] 1
623 1 6 CYS QB 1 27 ILE MD . . 5.000 9.723 8.973 11.183 6.183 11 25 [**********+*******-******] 1
624 1 6 CYS QB 1 29 LEU HA . . 5.000 10.716 9.819 11.909 6.909 23 25 [******************-***+**] 1
625 1 6 CYS QB 1 29 LEU QB . . 5.000 10.525 9.738 11.452 6.452 23 25 [******************-***+**] 1
626 1 6 CYS QB 1 32 PRO HA . . 5.000 8.586 7.745 9.570 4.570 5 25 [****+********-***********] 1
627 1 6 CYS QB 1 32 PRO QB . . 5.000 9.066 8.484 9.814 4.814 5 25 [****+********-***********] 1
628 1 6 CYS QB 1 35 LEU QB . . 5.000 6.256 5.189 7.481 2.481 5 23 "[-***+** ***** ***********]" 1
629 1 6 CYS QB 1 35 LEU QD . . 5.000 5.202 3.322 6.749 1.749 20 11 "[ *-** 1* *. **+ ** .]" 1
630 1 6 CYS QB 1 36 THR HA . . 5.000 9.725 8.765 10.150 5.150 10 25 [*********+**********-****] 1
631 1 6 CYS QB 1 36 THR HB . . 5.000 10.396 9.371 11.107 6.107 5 25 [****+***************-****] 1
632 1 6 CYS QB 1 37 SER HA . . 5.000 9.536 8.844 10.069 5.069 19 25 [******************+***-**] 1
633 1 6 CYS QB 1 38 ARG QB . . 5.000 5.707 3.867 8.089 3.089 19 10 "[ * . ** 1* * . -+2 ***]" 1
634 1 7 LEU H 1 11 ASN QD . . 5.000 7.062 5.230 9.399 4.399 13 22 "[*********** + .*-********]" 1
635 1 7 LEU H 1 13 ARG HE . . 5.000 11.676 9.789 13.902 8.902 11 25 [**********+*****-********] 1
636 1 7 LEU H 1 15 THR H . . 5.000 11.816 11.649 12.164 7.164 11 25 [**********+*******-******] 1
637 1 7 LEU H 1 16 TYR H . . 5.000 14.298 14.106 14.486 9.486 17 25 [*****-**********+********] 1
638 1 7 LEU H 1 16 TYR QD . . 5.000 15.827 13.831 16.344 11.344 19 25 [**************-***+******] 1
639 1 7 LEU H 1 17 ILE H . . 5.000 15.663 15.338 16.156 11.156 23 25 [******************-***+**] 1
640 1 7 LEU H 1 17 ILE QG . . 5.000 14.082 13.332 14.872 9.872 23 25 [*******************-**+**] 1
641 1 7 LEU H 1 18 PRO HA . . 5.000 20.472 19.586 21.328 16.328 11 25 [**********+************-*] 1
642 1 7 LEU H 1 19 ASP H . . 5.000 19.920 19.183 20.788 15.788 11 25 [**********+*************-] 1
643 1 7 LEU H 1 27 ILE QG . . 5.000 9.308 8.772 10.792 5.792 11 25 [**********+*******-******] 1
644 1 7 LEU H 1 29 LEU H . . 5.000 11.490 10.607 12.628 7.628 11 25 [**********+*******-******] 1
645 1 7 LEU H 1 30 CYS HA . . 5.000 9.006 8.423 9.868 4.868 12 25 [***********+*********-***] 1
646 1 7 LEU H 1 33 ALA H . . 5.000 9.833 9.575 10.131 5.131 24 25 [*****-*****************+*] 1
647 1 7 LEU H 1 37 SER HA . . 5.000 12.965 11.465 13.917 8.917 24 25 [**********************-+*] 1
648 1 7 LEU HA 1 9 GLU QG . . 5.000 6.650 4.706 7.615 2.615 23 20 "[****. ***** *.*******+*-]" 1
649 1 2 ARG QD 1 7 LEU QB . . 5.000 8.989 7.731 9.819 4.819 20 25 [******-************+*****] 1
650 1 5 ASP HA 1 7 LEU QB . . 5.000 5.359 4.985 5.572 0.572 5 5 "[ + * . *-* .]" 1
651 1 7 LEU QB 1 16 TYR HA . . 5.000 14.520 13.975 14.956 9.956 18 25 [*****************+*-*****] 1
652 1 7 LEU QB 1 18 PRO HA . . 5.000 17.284 16.061 18.455 13.455 23 25 [**********************+-*] 1
653 1 7 LEU QB 1 19 ASP HA . . 5.000 18.205 17.301 19.328 14.328 11 25 [**********+************-*] 1
654 1 7 LEU QB 1 29 LEU HA . . 5.000 9.793 9.180 10.350 5.350 12 25 [*****-*****+*************] 1
655 1 7 LEU QB 1 30 CYS HA . . 5.000 8.269 7.338 9.530 4.530 12 25 [***********+*********-***] 1
656 1 7 LEU QB 1 32 PRO HA . . 5.000 8.543 7.680 9.663 4.663 19 25 [******************+***-**] 1
657 1 7 LEU QB 1 34 CYS HA . . 5.000 8.397 7.073 9.484 4.484 12 25 [***********+**********-**] 1
658 1 7 LEU QB 1 36 THR HA . . 5.000 11.845 9.851 13.204 8.204 19 25 [******************+***-**] 1
659 1 7 LEU QB 1 36 THR HB . . 5.000 12.327 10.386 14.140 9.140 19 25 [******************+***-**] 1
660 1 7 LEU QB 1 37 SER HA . . 5.000 12.875 10.842 14.068 9.068 19 25 [******************+***-**] 1
661 1 8 SER H 1 14 CYS HA . . 5.000 12.003 11.665 12.292 7.292 17 25 [**************-*+********] 1
662 1 8 SER H 1 29 LEU H . . 5.000 12.377 11.671 13.224 8.224 5 25 [****+*******************-] 1
663 1 8 SER H 1 30 CYS HA . . 5.000 10.472 9.868 11.528 6.528 12 25 [***********+*********-***] 1
664 1 8 SER H 1 33 ALA H . . 5.000 11.906 11.351 12.297 7.297 12 25 [**********-+*************] 1
665 1 8 SER H 1 37 SER HA . . 5.000 15.583 14.206 16.454 11.454 24 25 [**********************-+*] 1
666 1 2 ARG QB 1 8 SER QB . . 5.000 8.282 7.898 8.958 3.958 25 25 [*******************-****+] 1
667 1 2 ARG QG 1 8 SER QB . . 5.000 8.585 7.675 9.496 4.496 6 25 [***-*+*******************] 1
668 1 7 LEU QD 1 8 SER QB . . 5.000 4.807 4.028 5.361 0.361 19 0 "[ . 1 . 2 .]" 1
669 1 8 SER QB 1 17 ILE HB . . 5.000 14.050 13.763 14.419 9.419 20 25 [******************-+*****] 1
670 1 8 SER QB 1 29 LEU QB . . 5.000 12.896 12.491 13.350 8.350 7 25 [******+********-*********] 1
671 1 8 SER QB 1 32 PRO QB . . 5.000 12.763 12.109 13.291 8.291 19 25 [******************+*-****] 1
672 1 8 SER QB 1 35 LEU QB . . 5.000 10.887 9.946 11.808 6.808 5 25 [****+********-***********] 1
673 1 2 ARG HE 1 9 GLU H . . 5.000 12.612 10.852 13.787 8.787 3 25 [**+******-***************] 1
674 1 4 GLN QE 1 9 GLU H . . 5.000 7.993 5.624 10.049 5.049 3 25 [**+****************-*****] 1
675 1 9 GLU H 1 13 ARG HE . . 5.000 8.872 6.530 10.786 5.786 12 25 [***********+****-********] 1
676 1 9 GLU H 1 16 TYR QE . . 5.000 14.554 10.641 15.730 10.730 19 25 [******************+**-***] 1
677 1 9 GLU H 1 20 TYR QE . . 5.000 18.603 15.919 21.333 16.333 7 25 [******+********-*********] 1
678 1 9 GLU H 1 24 ARG HE . . 5.000 18.585 15.431 20.425 15.425 5 25 [****+*******************-] 1
679 1 9 GLU H 1 27 ILE MD . . 5.000 8.529 7.780 9.539 4.539 11 25 [**********+*************-] 1
680 1 9 GLU H 1 35 LEU QD . . 5.000 9.694 7.281 11.327 6.327 20 25 [*******************+-****] 1
681 1 1 ASP HA 1 9 GLU QG . . 5.000 10.658 9.274 12.134 7.134 24 25 [********-**************+*] 1
682 1 3 TYR HA 1 9 GLU QG . . 5.000 9.070 7.281 10.069 5.069 11 25 [*****-****+**************] 1
683 1 5 ASP HA 1 9 GLU QG . . 5.000 5.031 4.445 6.514 1.514 24 3 "[ . 1- . 2 +*]" 1
684 1 6 CYS QB 1 9 GLU QG . . 5.000 5.924 4.179 6.781 1.781 2 19 "[*+**. ***** *.********-.]" 1
685 1 7 LEU QB 1 9 GLU QG . . 5.000 6.841 5.459 7.666 2.666 23 23 "[***** *******-*******+**]" 1
686 1 7 LEU HG 1 9 GLU QG . . 5.000 8.883 6.573 10.151 5.151 10 25 [*********+**-************] 1
687 1 7 LEU QD 1 9 GLU QG . . 5.000 6.702 5.259 7.738 2.738 21 24 [****.-**************+****] 1
688 1 9 GLU QG 1 14 CYS HA . . 5.000 9.237 7.404 10.268 5.268 3 25 [**+*********************-] 1
689 1 9 GLU QG 1 15 THR MG . . 5.000 7.507 6.557 8.149 3.149 15 25 [**************+*******-**] 1
690 1 9 GLU QG 1 16 TYR HA . . 5.000 11.944 10.487 12.804 7.804 9 25 [********+*************-**] 1
691 1 9 GLU QG 1 17 ILE QG . . 5.000 11.100 9.263 12.248 7.248 9 25 [********+***************-] 1
692 1 9 GLU QG 1 18 PRO HA . . 5.000 16.436 15.013 17.325 12.325 20 25 [*******************+***-*] 1
693 1 9 GLU QG 1 19 ASP HA . . 5.000 18.633 16.901 19.737 14.737 3 25 [**+*********************-] 1
694 1 9 GLU QG 1 24 ARG QB . . 5.000 14.769 13.110 15.776 10.776 10 25 [*********+**************-] 1
695 1 9 GLU QG 1 24 ARG QG . . 5.000 14.368 12.707 15.290 10.290 20 25 [*****-*************+*****] 1
696 1 9 GLU QG 1 26 CYS QB . . 5.000 11.236 9.099 12.127 7.127 20 25 [*******************+****-] 1
697 1 9 GLU QG 1 27 ILE QG . . 5.000 8.793 7.081 9.612 4.612 20 25 [*******************+****-] 1
698 1 9 GLU QG 1 29 LEU HA . . 5.000 14.060 11.638 15.296 10.296 22 25 [************-********+***] 1
699 1 9 GLU QG 1 30 CYS HA . . 5.000 10.471 8.152 11.797 6.797 1 25 [+***********-************] 1
700 1 9 GLU QG 1 32 PRO HA . . 5.000 13.962 11.630 15.389 10.389 22 25 [******-**************+***] 1
701 1 9 GLU QG 1 34 CYS HA . . 5.000 10.348 8.137 11.710 6.710 2 25 [*+**-********************] 1
702 1 9 GLU QG 1 35 LEU HA . . 5.000 12.176 10.082 13.577 8.577 2 25 [*+****-******************] 1
703 1 9 GLU QG 1 36 THR HA . . 5.000 15.809 13.654 17.256 12.256 2 25 [*+****-******************] 1
704 1 9 GLU QG 1 36 THR HB . . 5.000 15.953 13.038 17.546 12.546 20 25 [******-************+*****] 1
705 1 9 GLU QG 1 36 THR MG . . 5.000 13.884 12.068 15.464 10.464 2 25 [*+***-*******************] 1
706 1 9 GLU QG 1 37 SER HA . . 5.000 14.738 12.223 16.249 11.249 2 25 [*+**-********************] 1
707 1 9 GLU QG 1 27 ILE MD . . 5.000 8.655 7.357 9.350 4.350 20 25 [*******************+****-] 1
708 1 9 GLU QG 1 29 LEU QB . . 5.000 12.643 10.399 13.749 8.749 22 25 [************-********+***] 1
709 1 9 GLU QG 1 31 ALA MB . . 5.000 9.162 7.146 10.364 5.364 22 25 [************-********+***] 1
710 1 9 GLU QG 1 35 LEU QD . . 5.000 9.992 7.611 11.867 6.867 20 25 [************-******+*****] 1
711 1 10 CYS H 1 14 CYS HA . . 5.000 8.560 8.209 8.855 3.855 17 25 [**************-*+********] 1
712 1 10 CYS H 1 19 ASP HA . . 5.000 18.565 18.017 19.121 14.121 11 25 [**********+*************-] 1
713 1 10 CYS H 1 29 LEU H . . 5.000 10.853 10.001 11.737 6.737 5 25 [****+*******************-] 1
714 1 10 CYS H 1 30 CYS HA . . 5.000 8.289 7.570 8.714 3.714 12 25 [***********+********-****] 1
715 1 10 CYS H 1 33 ALA H . . 5.000 10.829 9.547 11.181 6.181 2 25 [*+******************-****] 1
716 1 10 CYS H 1 34 CYS HA . . 5.000 9.211 7.482 9.726 4.726 13 25 [************+*******-****] 1
717 1 10 CYS H 1 37 SER HA . . 5.000 14.620 12.676 15.415 10.415 24 25 [********************-**+*] 1
718 1 10 CYS QB 1 32 PRO QB . . 5.000 8.616 7.602 9.030 4.030 22 25 [********************-+***] 1
719 1 1 ASP HA 1 11 ASN H . . 5.000 13.881 12.849 14.705 9.705 11 25 [*********-+**************] 1
720 1 2 ARG QB 1 11 ASN H . . 5.000 11.330 10.942 11.972 6.972 7 25 [**-***+******************] 1
721 1 2 ARG QG 1 11 ASN H . . 5.000 12.000 10.447 13.178 8.178 11 25 [**********+*************-] 1
722 1 3 TYR QD 1 11 ASN H . . 5.000 9.393 8.851 10.229 5.229 23 25 [***************-******+**] 1
723 1 4 GLN HA 1 11 ASN H . . 5.000 8.194 7.985 8.559 3.559 23 25 [***-******************+**] 1
724 1 4 GLN QG 1 11 ASN H . . 5.000 9.702 8.937 10.437 5.437 23 25 [*******************-**+**] 1
725 1 4 GLN QE 1 11 ASN H . . 5.000 9.275 6.795 11.723 6.723 13 25 [*******-****+************] 1
726 1 5 ASP HA 1 11 ASN H . . 5.000 7.706 7.353 8.278 3.278 11 25 [**********+*********-****] 1
727 1 6 CYS QB 1 11 ASN H . . 5.000 6.902 6.585 7.254 2.254 11 25 [**********+*******-******] 1
728 1 9 GLU QG 1 11 ASN H . . 5.000 5.616 4.303 6.548 1.548 17 18 "[****. ***** *.-+****** .]" 1
729 1 11 ASN H 1 13 ARG QB . . 5.000 4.598 4.249 5.738 0.738 15 1 "[ . 1 + 2 .]" 1
730 1 11 ASN H 1 13 ARG QG . . 5.000 6.019 4.380 7.093 2.093 22 19 "[* * .-* ******.***** +***]" 1
731 1 11 ASN H 1 14 CYS HA . . 5.000 7.403 7.117 7.557 2.557 5 25 [****+*****-**************] 1
732 1 11 ASN H 1 16 TYR H . . 5.000 8.551 8.380 8.678 3.678 7 25 [******+*************-****] 1
733 1 11 ASN H 1 16 TYR HA . . 5.000 11.092 10.909 11.212 6.212 7 25 [******+*************-****] 1
734 1 11 ASN H 1 16 TYR QE . . 5.000 12.752 9.497 13.495 8.495 7 25 [******+*******-**********] 1
735 1 11 ASN H 1 17 ILE H . . 5.000 9.960 9.817 10.133 5.133 5 25 [****+*******************-] 1
736 1 11 ASN H 1 17 ILE HB . . 5.000 10.601 10.300 11.041 6.041 23 25 [**********************+-*] 1
737 1 11 ASN H 1 18 PRO HA . . 5.000 14.740 13.847 15.246 10.246 20 25 [*******************+***-*] 1
738 1 11 ASN H 1 18 PRO QB . . 5.000 14.858 14.238 15.183 10.183 23 25 [**********************+-*] 1
739 1 11 ASN H 1 18 PRO QG . . 5.000 14.794 14.542 15.033 10.033 23 25 [**********************+-*] 1
740 1 11 ASN H 1 18 PRO QD . . 5.000 12.911 12.752 13.119 8.119 23 25 [**********************+*-] 1
741 1 11 ASN H 1 19 ASP H . . 5.000 14.455 13.750 15.004 10.004 6 25 [*****+********-**********] 1
742 1 11 ASN H 1 20 TYR QE . . 5.000 15.067 12.650 17.450 12.450 19 25 [***************-**+******] 1
743 1 11 ASN H 1 22 GLY QA . . 5.000 12.440 11.589 13.305 8.305 21 25 [********************+**-*] 1
744 1 11 ASN H 1 24 ARG HA . . 5.000 10.056 9.546 10.738 5.738 21 25 [************-*******+****] 1
745 1 11 ASN H 1 24 ARG QB . . 5.000 11.333 10.879 11.944 6.944 21 25 [************-*******+****] 1
746 1 11 ASN H 1 26 CYS QB . . 5.000 8.464 7.984 9.107 4.107 21 25 [********************+-***] 1
747 1 11 ASN H 1 27 ILE HB . . 5.000 6.880 6.373 7.627 2.627 21 25 [********************+**-*] 1
748 1 11 ASN H 1 28 GLY QA . . 5.000 8.314 7.932 8.767 3.767 5 25 [****+************-*******] 1
749 1 11 ASN H 1 29 LEU H . . 5.000 9.524 9.012 10.085 5.085 5 25 [****+******************-*] 1
750 1 11 ASN H 1 29 LEU HA . . 5.000 11.077 10.121 11.507 6.507 19 25 [**********-*******+******] 1
751 1 11 ASN H 1 29 LEU QB . . 5.000 10.088 9.454 10.450 5.450 15 25 [**********-***+**********] 1
752 1 11 ASN H 1 29 LEU HG . . 5.000 12.441 11.718 13.276 8.276 4 25 [***+******-**************] 1
753 1 11 ASN H 1 30 CYS HA . . 5.000 8.243 6.842 9.186 4.186 12 25 [**********-+*************] 1
754 1 11 ASN H 1 32 PRO HA . . 5.000 12.142 10.811 13.192 8.192 19 25 [******************+***-**] 1
755 1 11 ASN H 1 32 PRO QB . . 5.000 11.401 10.266 12.137 7.137 19 25 [**********-*******+******] 1
756 1 11 ASN H 1 32 PRO QG . . 5.000 10.534 9.607 11.255 6.255 19 25 [**********-*******+******] 1
757 1 11 ASN H 1 33 ALA H . . 5.000 10.934 9.429 11.686 6.686 19 25 [**********-*******+******] 1
758 1 11 ASN H 1 34 CYS QB . . 5.000 7.474 6.182 8.162 3.162 19 25 [******************+*-****] 1
759 1 11 ASN H 1 35 LEU HA . . 5.000 12.403 10.724 13.523 8.523 19 25 [******************+***-**] 1
760 1 11 ASN H 1 35 LEU QB . . 5.000 11.127 9.911 12.107 7.107 16 25 [**********-****+*********] 1
761 1 11 ASN H 1 35 LEU HG . . 5.000 12.920 9.302 15.736 10.736 19 25 [******************+***-**] 1
762 1 11 ASN H 1 36 THR H . . 5.000 13.550 12.092 14.447 9.447 19 25 [******************+*-****] 1
763 1 11 ASN H 1 36 THR HA . . 5.000 16.214 14.753 17.174 12.174 19 25 [******************+*-****] 1
764 1 11 ASN H 1 36 THR HB . . 5.000 15.969 13.791 17.567 12.567 19 25 [******************+*-****] 1
765 1 11 ASN H 1 37 SER HA . . 5.000 16.177 14.541 17.082 12.082 24 25 [**********-************+*] 1
766 1 11 ASN H 1 38 ARG QB . . 5.000 12.622 10.049 15.276 10.276 19 25 [******************+*-****] 1
767 1 11 ASN H 1 38 ARG HE . . 5.000 15.609 10.230 19.862 14.862 19 25 [******************+*-****] 1
768 1 2 ARG QG 1 11 ASN QB . . 5.000 12.118 10.551 13.676 8.676 11 25 [**********+*************-] 1
769 1 7 LEU QB 1 11 ASN QB . . 5.000 4.546 3.783 5.512 0.512 18 1 "[ . 1 . + 2 .]" 1
770 1 7 LEU QD 1 11 ASN QB . . 5.000 3.822 2.307 5.496 0.496 11 0 "[ . 1 . 2 .]" 1
771 1 11 ASN QB 1 13 ARG QG . . 5.000 6.728 5.450 7.676 2.676 22 24 [**************.*****-+***] 1
772 1 11 ASN QB 1 17 ILE HB . . 5.000 8.996 8.225 9.447 4.447 16 25 [***************+-********] 1
773 1 11 ASN QB 1 17 ILE QG . . 5.000 8.381 7.351 9.113 4.113 8 25 [*******+**-**************] 1
774 1 11 ASN QB 1 27 ILE HB . . 5.000 5.396 4.008 6.046 1.046 5 14 "[****+ * ** * *-* *2* .]" 1
775 1 11 ASN QB 1 27 ILE QG . . 5.000 4.159 3.084 4.699 . 0 0 "[ . 1 . 2 .]" 1
776 1 11 ASN QB 1 29 LEU HG . . 5.000 11.969 10.354 12.744 7.744 16 25 [**********-****+*********] 1
777 1 11 ASN QB 1 35 LEU HG . . 5.000 12.560 8.745 15.519 10.519 18 25 [*****************+****-**] 1
778 1 11 ASN QB 1 38 ARG QB . . 5.000 12.838 10.514 14.935 9.935 19 25 [******************+*-****] 1
779 1 2 ARG QB 1 11 ASN QB . . 5.000 11.477 10.933 12.331 7.331 11 25 [*******-**+**************] 1
780 1 7 LEU HG 1 11 ASN QB . . 5.000 5.375 3.659 6.901 1.901 14 11 "[ * . ****+.* * *- *.]" 1
781 1 9 GLU QB 1 11 ASN QB . . 5.000 5.966 5.495 6.801 1.801 11 23 "[*******- *+**** *********]" 1
782 1 9 GLU QG 1 11 ASN QB . . 5.000 6.423 5.543 7.697 2.697 17 25 [*****-**********+********] 1
783 1 11 ASN QB 1 13 ARG QB . . 5.000 5.534 5.230 6.383 1.383 15 9 "[ . - 1* * + ** 2*** .]" 1
784 1 11 ASN QB 1 14 CYS HA . . 5.000 7.167 6.474 7.471 2.471 19 25 [**********-*******+******] 1
785 1 11 ASN QB 1 15 THR MG . . 5.000 5.052 4.691 5.499 0.499 8 0 "[ . 1 . 2 .]" 1
786 1 11 ASN QB 1 18 PRO QB . . 5.000 12.534 11.757 13.202 8.202 6 25 [*****+***********-*******] 1
787 1 11 ASN QB 1 18 PRO QG . . 5.000 12.746 12.207 13.146 8.146 6 25 [*****+***********-*******] 1
788 1 11 ASN QB 1 21 ALA MB . . 5.000 12.023 10.836 12.674 7.674 5 25 [****+***********-********] 1
789 1 11 ASN QB 1 23 MET QB . . 5.000 7.820 6.646 8.586 3.586 21 25 [********************+**-*] 1
790 1 11 ASN QB 1 23 MET QG . . 5.000 6.038 4.753 6.711 1.711 21 22 "[**************-* ***+ **]" 1
791 1 11 ASN QB 1 23 MET ME . . 5.000 7.064 6.185 7.621 2.621 21 25 [****************-***+****] 1
792 1 11 ASN QB 1 24 ARG QG . . 5.000 8.401 7.186 9.194 4.194 12 25 [***********+****-********] 1
793 1 11 ASN QB 1 25 ALA MB . . 5.000 9.936 8.735 10.367 5.367 3 25 [**+*******************-**] 1
794 1 11 ASN QB 1 29 LEU QB . . 5.000 9.557 8.136 10.268 5.268 15 25 [**********-***+**********] 1
795 1 11 ASN QB 1 31 ALA MB . . 5.000 6.220 4.417 7.290 2.290 18 21 "[******-*** ***** +** * **]" 1
796 1 11 ASN QB 1 32 PRO QB . . 5.000 10.871 9.227 11.620 6.620 18 25 [*****************+****-**] 1
797 1 11 ASN QB 1 32 PRO QG . . 5.000 9.787 8.131 10.543 5.543 10 25 [*********+************-**] 1
798 1 11 ASN QB 1 33 ALA MB . . 5.000 9.857 8.107 10.934 5.934 12 25 [**********-+*************] 1
799 1 11 ASN QB 1 35 LEU QB . . 5.000 10.888 9.408 12.039 7.039 10 25 [*********+************-**] 1
800 1 11 ASN QB 1 36 THR MG . . 5.000 13.477 11.584 15.269 10.269 18 25 [*****************+****-**] 1
801 1 11 ASN QB 1 38 ARG QG . . 5.000 13.213 11.460 14.462 9.462 18 25 [*****************+**-****] 1
802 1 2 ARG QB 1 11 ASN QD . . 5.000 12.006 10.153 13.931 8.931 13 25 [***********-+************] 1
803 1 2 ARG QG 1 11 ASN QD . . 5.000 12.725 10.366 14.796 9.796 13 25 [************+-***********] 1
804 1 2 ARG QD 1 11 ASN QD . . 5.000 13.502 10.932 15.960 10.960 13 25 [************+***-********] 1
805 1 3 TYR H 1 11 ASN QD . . 5.000 12.007 10.234 14.589 9.589 13 25 [************+*-**********] 1
806 1 4 GLN H 1 11 ASN QD . . 5.000 10.259 8.572 12.936 7.936 13 25 [************+***-********] 1
807 1 4 GLN QB 1 11 ASN QD . . 5.000 8.507 6.816 10.658 5.658 13 25 [************+***-********] 1
808 1 4 GLN QG 1 11 ASN QD . . 5.000 8.810 6.653 11.351 6.351 2 25 [*+*******************-***] 1
809 1 5 ASP QB 1 11 ASN QD . . 5.000 9.542 7.710 11.301 6.301 13 25 [************+********-***] 1
810 1 6 CYS QB 1 11 ASN QD . . 5.000 8.243 6.381 10.169 5.169 13 25 [************+-***********] 1
811 1 8 SER QB 1 11 ASN QD . . 5.000 5.606 3.515 7.407 2.407 13 15 "[***** * ** + .* * ** *-]" 1
812 1 9 GLU H 1 11 ASN QD . . 5.000 6.509 4.456 7.960 2.960 13 20 "[*********** + -* **** **]" 1
813 1 9 GLU QB 1 11 ASN QD . . 5.000 7.178 5.581 8.448 3.448 7 25 [******+*********-********] 1
814 1 9 GLU QG 1 11 ASN QD . . 5.000 7.623 5.703 8.954 3.954 10 25 [*********+****-**********] 1
815 1 10 CYS H 1 11 ASN QD . . 5.000 5.924 4.111 6.930 1.930 13 19 "[**********- + .* **** **]" 1
816 1 10 CYS QB 1 11 ASN QD . . 5.000 4.884 2.771 6.061 1.061 13 6 "[ * .* *-1 + . *2 .]" 1
817 1 11 ASN QD 1 12 SER QB . . 5.000 5.363 3.218 6.647 1.647 4 16 "[* *+* * ** - *** * ** **]" 1
818 1 11 ASN QD 1 13 ARG H . . 5.000 5.774 4.437 6.728 1.728 21 14 "[* *** * ** *- * *+ **]" 1
819 1 11 ASN QD 1 13 ARG QB . . 5.000 6.780 5.721 8.056 3.056 21 25 [*************-******+****] 1
820 1 11 ASN QD 1 13 ARG QG . . 5.000 7.826 5.860 8.962 3.962 3 25 [**+***********-**********] 1
821 1 11 ASN QD 1 14 CYS QB . . 5.000 5.649 4.350 6.565 1.565 8 14 "[ **-* +** . **** ** *]" 1
822 1 11 ASN QD 1 16 TYR QB . . 5.000 9.261 7.242 10.296 5.296 18 25 [************-****+*******] 1
823 1 11 ASN QD 1 17 ILE HB . . 5.000 9.340 7.011 11.046 6.046 23 25 [*-********************+**] 1
824 1 11 ASN QD 1 17 ILE QG . . 5.000 8.900 6.745 10.113 5.113 22 25 [*-*******************+***] 1
825 1 11 ASN QD 1 18 PRO QB . . 5.000 12.755 10.031 14.294 9.294 23 25 [************-*********+**] 1
826 1 11 ASN QD 1 18 PRO QG . . 5.000 13.041 10.599 14.444 9.444 23 25 [************-*********+**] 1
827 1 11 ASN QD 1 18 PRO QD . . 5.000 11.584 9.281 12.828 7.828 23 25 [************-*********+**] 1
828 1 11 ASN QD 1 19 ASP HA . . 5.000 13.558 11.035 15.796 10.796 22 25 [************-********+***] 1
829 1 11 ASN QD 1 19 ASP QB . . 5.000 11.933 9.724 13.607 8.607 22 25 [************-********+***] 1
830 1 11 ASN QD 1 21 ALA MB . . 5.000 11.674 10.047 13.591 8.591 22 25 [*********************+*-*] 1
831 1 11 ASN QD 1 22 GLY QA . . 5.000 10.836 8.997 12.334 7.334 8 25 [*******+***************-*] 1
832 1 11 ASN QD 1 23 MET HA . . 5.000 8.454 6.267 9.976 4.976 22 25 [*********************+*-*] 1
833 1 11 ASN QD 1 23 MET QB . . 5.000 7.725 4.822 9.594 4.594 22 24 "[************-********+* *]" 1
834 1 11 ASN QD 1 23 MET QG . . 5.000 6.136 4.127 7.670 2.670 22 20 "[ **** *-*** ** *****+***]" 1
835 1 11 ASN QD 1 23 MET ME . . 5.000 7.043 4.831 8.980 3.980 22 23 "[* ********** ********+*-*]" 1
836 1 11 ASN QD 1 24 ARG HA . . 5.000 7.340 5.668 9.639 4.639 19 25 [******************+****-*] 1
837 1 11 ASN QD 1 24 ARG QB . . 5.000 8.593 6.993 10.674 5.674 19 25 [******************+****-*] 1
838 1 11 ASN QD 1 24 ARG QG . . 5.000 7.616 6.131 9.708 4.708 22 25 [-********************+***] 1
839 1 11 ASN QD 1 25 ALA H . . 5.000 9.955 8.264 12.179 7.179 19 25 [******************+****-*] 1
840 1 11 ASN QD 1 25 ALA MB . . 5.000 9.712 8.516 11.709 6.709 8 25 [*******+***************-*] 1
841 1 11 ASN QD 1 26 CYS QB . . 5.000 7.990 6.815 9.610 4.610 8 25 [*-*****+*****************] 1
842 1 11 ASN QD 1 27 ILE H . . 5.000 6.914 5.665 9.184 4.184 8 25 [*******+***************-*] 1
843 1 11 ASN QD 1 27 ILE HB . . 5.000 5.107 3.626 7.582 2.582 8 7 "[ .* + 1- . * *2 ** .]" 1
844 1 11 ASN QD 1 27 ILE QG . . 5.000 4.575 3.452 6.138 1.138 8 4 "[ . + 1 . * *2 - .]" 1
845 1 11 ASN QD 1 29 LEU QB . . 5.000 9.507 8.247 11.935 6.935 8 25 [*******+*****-***********] 1
846 1 11 ASN QD 1 29 LEU HG . . 5.000 11.963 10.227 14.910 9.910 8 25 [*******+***-*************] 1
847 1 11 ASN QD 1 30 CYS HA . . 5.000 9.104 7.475 11.645 6.645 8 25 [*******+******-**********] 1
848 1 11 ASN QD 1 32 PRO QB . . 5.000 10.696 8.913 13.867 8.867 19 25 [*************-****+******] 1
849 1 11 ASN QD 1 32 PRO QG . . 5.000 9.457 7.693 12.758 7.758 19 25 [*************-****+******] 1
850 1 11 ASN QD 1 34 CYS H . . 5.000 10.564 8.512 13.459 8.459 19 25 [**************-***+******] 1
851 1 11 ASN QD 1 34 CYS HA . . 5.000 11.851 9.702 14.116 9.116 19 25 [**************-***+******] 1
852 1 11 ASN QD 1 35 LEU H . . 5.000 11.416 9.168 14.593 9.593 19 25 [**************-***+******] 1
853 1 11 ASN QD 1 35 LEU QB . . 5.000 10.891 8.322 13.734 8.734 19 25 [*************-****+******] 1
854 1 11 ASN QD 1 35 LEU HG . . 5.000 12.596 8.453 17.575 12.575 19 25 [******************+***-**] 1
855 1 11 ASN QD 1 37 SER H . . 5.000 14.392 12.301 17.172 12.172 19 25 [**************-***+******] 1
856 1 11 ASN QD 1 37 SER HA . . 5.000 16.678 14.612 19.246 14.246 19 25 [**************-***+******] 1
857 1 11 ASN QD 1 37 SER QB . . 5.000 13.270 11.404 15.236 10.236 19 25 [******************+***-**] 1
858 1 11 ASN QD 1 38 ARG QB . . 5.000 13.332 10.424 17.121 12.121 19 25 [**************-***+******] 1
859 1 11 ASN QD 1 21 ALA HA . . 5.000 12.097 10.129 14.481 9.481 22 25 [*********************+*-*] 1
860 1 11 ASN QD 1 28 GLY QA . . 5.000 6.586 5.389 9.479 4.479 19 22 "[*********** * ****+- ****]" 1
861 1 11 ASN QD 1 29 LEU HA . . 5.000 10.199 8.716 13.332 8.332 19 25 [*************-****+******] 1
862 1 11 ASN QD 1 32 PRO HA . . 5.000 11.478 9.124 15.192 10.192 19 25 [*************-****+******] 1
863 1 11 ASN QD 1 36 THR HA . . 5.000 15.964 13.689 19.173 14.173 19 25 [*************-****+******] 1
864 1 2 ARG H 1 12 SER H . . 5.000 15.039 14.723 15.450 10.450 14 25 [*************+********-**] 1
865 1 2 ARG QD 1 12 SER H . . 5.000 14.388 12.532 15.370 10.370 18 25 [*********-*******+*******] 1
866 1 4 GLN QE 1 12 SER H . . 5.000 10.113 7.246 12.992 7.992 13 25 [************+******-*****] 1
867 1 6 CYS QB 1 12 SER H . . 5.000 8.857 8.657 9.107 4.107 16 25 [***************+******-**] 1
868 1 7 LEU QD 1 12 SER H . . 5.000 6.023 4.767 7.166 2.166 5 19 "[-** +** ********* *** *.]" 1
869 1 12 SER H 1 14 CYS HA . . 5.000 7.132 6.680 7.281 2.281 19 25 [**************-***+******] 1
870 1 12 SER H 1 16 TYR QE . . 5.000 11.118 7.636 12.058 7.058 19 25 [******************+**-***] 1
871 1 12 SER H 1 18 PRO HA . . 5.000 13.565 12.885 14.069 9.069 11 25 [**********+************-*] 1
872 1 12 SER H 1 19 ASP HA . . 5.000 15.898 15.286 16.480 11.480 11 25 [**********+***-**********] 1
873 1 12 SER H 1 20 TYR QE . . 5.000 14.475 12.265 17.491 12.491 19 25 [***************-**+******] 1
874 1 12 SER H 1 30 CYS HA . . 5.000 10.729 9.191 11.763 6.763 12 25 [**********-+*************] 1
875 1 12 SER H 1 32 PRO QB . . 5.000 13.829 12.593 14.555 9.555 19 25 [**********-*******+******] 1
876 1 12 SER H 1 34 CYS HA . . 5.000 13.233 11.242 13.915 8.915 14 25 [*************+******-****] 1
877 1 12 SER H 1 37 SER HA . . 5.000 18.742 16.538 19.570 14.570 19 25 [******************+*-****] 1
878 1 2 ARG QB 1 12 SER QB . . 5.000 12.574 11.606 13.673 8.673 14 25 [*************+********-**] 1
879 1 7 LEU QD 1 12 SER QB . . 5.000 7.017 5.639 8.132 3.132 19 25 [******************+**-***] 1
880 1 12 SER QB 1 13 ARG QG . . 5.000 5.151 3.607 6.218 1.218 14 15 "[ * . * **-**+.* ***** *]" 1
881 1 12 SER QB 1 24 ARG QB . . 5.000 12.328 11.575 12.872 7.872 19 25 [*****-************+******] 1
882 1 12 SER QB 1 27 ILE HB . . 5.000 9.403 8.877 9.808 4.808 19 25 [******************+**-***] 1
883 1 12 SER QB 1 27 ILE QG . . 5.000 6.917 6.504 7.197 2.197 8 25 [*******+*************-***] 1
884 1 12 SER QB 1 27 ILE MD . . 5.000 6.069 5.729 6.567 1.567 11 25 [**********+***********-**] 1
885 1 12 SER QB 1 29 LEU QB . . 5.000 12.721 12.166 13.196 8.196 8 25 [*******+**-**************] 1
886 1 12 SER QB 1 29 LEU HG . . 5.000 15.490 14.586 16.487 11.487 8 25 [*******+*********-*******] 1
887 1 12 SER QB 1 32 PRO QB . . 5.000 14.422 13.390 15.143 10.143 19 25 [**********-*******+******] 1
888 1 12 SER QB 1 33 ALA MB . . 5.000 12.285 10.825 13.271 8.271 8 25 [*******+**-**************] 1
889 1 12 SER QB 1 35 LEU QB . . 5.000 14.039 12.689 15.287 10.287 16 25 [***************+-********] 1
890 1 12 SER QB 1 35 LEU HG . . 5.000 15.973 12.458 18.753 13.753 19 25 [******************+***-**] 1
891 1 12 SER QB 1 35 LEU QD . . 5.000 11.819 9.611 13.547 8.547 19 25 [******************+*-****] 1
892 1 12 SER QB 1 38 ARG QG . . 5.000 14.693 12.578 16.642 11.642 19 25 [******************+*-****] 1
893 1 2 ARG H 1 13 ARG H . . 5.000 16.093 15.799 16.546 11.546 19 25 [******************+***-**] 1
894 1 4 GLN QE 1 13 ARG H . . 5.000 12.070 9.358 14.647 9.647 13 25 [************+******-*****] 1
895 1 5 ASP QB 1 13 ARG H . . 5.000 10.318 9.983 10.589 5.589 12 25 [***********+********-****] 1
896 1 6 CYS QB 1 13 ARG H . . 5.000 9.289 9.106 9.461 4.461 21 25 [*************-******+****] 1
897 1 7 LEU QB 1 13 ARG H . . 5.000 8.097 7.726 8.552 3.552 15 25 [**************+****-*****] 1
898 1 7 LEU QD 1 13 ARG H . . 5.000 7.049 6.036 8.126 3.126 21 25 [***-****************+****] 1
899 1 13 ARG H 1 16 TYR QE . . 5.000 9.650 6.316 10.568 5.568 19 25 [******************+**-***] 1
900 1 13 ARG H 1 17 ILE QG . . 5.000 7.490 7.035 7.926 2.926 24 25 [*******************-***+*] 1
901 1 13 ARG H 1 20 TYR H . . 5.000 15.111 14.373 15.840 10.840 21 25 [********************+*-**] 1
902 1 13 ARG H 1 20 TYR QE . . 5.000 14.570 12.792 17.024 12.024 19 25 [***************-**+******] 1
903 1 13 ARG H 1 24 ARG QG . . 5.000 11.813 11.209 12.614 7.614 15 25 [********-*****+**********] 1
904 1 13 ARG H 1 26 CYS QB . . 5.000 8.281 8.075 8.959 3.959 15 25 [**************+********-*] 1
905 1 13 ARG H 1 30 CYS QB . . 5.000 7.081 6.251 7.932 2.932 15 25 [**************+*****-****] 1
906 1 13 ARG QG 1 19 ASP HA . . 5.000 14.186 13.035 15.611 10.611 8 25 [*******+******-**********] 1
907 1 13 ARG QG 1 34 CYS HA . . 5.000 11.116 7.733 12.643 7.643 22 25 [********************-+***] 1
908 1 7 LEU QD 1 13 ARG QG . . 5.000 7.881 6.891 9.085 4.085 11 25 [***-******+**************] 1
909 1 7 LEU QB 1 13 ARG QD . . 5.000 9.407 7.791 10.804 5.804 18 25 [-****************+*******] 1
910 1 13 ARG QD 1 32 PRO QB . . 5.000 12.957 10.567 14.662 9.662 23 25 [********************-*+**] 1
911 1 1 ASP QB 1 13 ARG HE . . 5.000 16.603 13.665 19.292 14.292 11 25 [**********+*-************] 1
912 1 3 TYR QB 1 13 ARG HE . . 5.000 15.251 13.476 17.467 12.467 11 25 [**********+*****-********] 1
913 1 4 GLN HA 1 13 ARG HE . . 5.000 14.824 12.669 16.748 11.748 12 25 [***********+****-********] 1
914 1 5 ASP QB 1 13 ARG HE . . 5.000 11.424 9.053 13.723 8.723 9 25 [********+*******-********] 1
915 1 7 LEU HA 1 13 ARG HE . . 5.000 10.562 8.733 12.618 7.618 11 25 [**-*******+**************] 1
916 1 9 GLU QG 1 13 ARG HE . . 5.000 6.064 3.771 8.689 3.689 9 14 "[*** . +*** *.* -*** *.]" 1
917 1 10 CYS QB 1 13 ARG HE . . 5.000 6.992 5.095 9.143 4.143 11 24 "[*- *******+**************]" 1
918 1 13 ARG HE 1 18 PRO QD . . 5.000 11.788 8.765 13.896 8.896 17 25 [**********-*****+********] 1
919 1 13 ARG HE 1 19 ASP QB . . 5.000 14.579 12.178 16.710 11.710 6 25 [*****+*****************-*] 1
920 1 13 ARG HE 1 22 GLY QA . . 5.000 13.475 10.707 15.625 10.625 8 25 [*******+***************-*] 1
921 1 13 ARG HE 1 23 MET QG . . 5.000 10.479 8.703 11.868 6.868 6 25 [*****+**-****************] 1
922 1 13 ARG HE 1 24 ARG HA . . 5.000 15.043 13.637 16.641 11.641 8 25 [*******+******-**********] 1
923 1 13 ARG HE 1 24 ARG QD . . 5.000 16.553 14.743 18.454 13.454 5 25 [****+*********-**********] 1
924 1 13 ARG HE 1 26 CYS QB . . 5.000 9.857 7.670 11.818 6.818 17 25 [****************+******-*] 1
925 1 13 ARG HE 1 27 ILE HA . . 5.000 10.360 8.726 11.962 6.962 8 25 [*******+******-**********] 1
926 1 13 ARG HE 1 28 GLY QA . . 5.000 13.538 11.892 15.011 10.011 8 25 [*******+************-****] 1
927 1 13 ARG HE 1 30 CYS HA . . 5.000 10.803 7.534 12.759 7.759 8 25 [*******+************-****] 1
928 1 13 ARG HE 1 30 CYS QB . . 5.000 8.690 6.904 10.205 5.205 8 25 [*******+************-****] 1
929 1 13 ARG HE 1 32 PRO QB . . 5.000 15.095 11.989 16.723 11.723 8 25 [*******+************-****] 1
930 1 13 ARG HE 1 32 PRO QD . . 5.000 13.199 10.627 14.560 9.560 11 25 [**********+*********-****] 1
931 1 13 ARG HE 1 37 SER HA . . 5.000 17.009 12.570 19.943 14.943 9 25 [********+***********-****] 1
932 1 13 ARG HE 1 37 SER QB . . 5.000 13.002 8.970 15.409 10.409 9 25 [********+***********-****] 1
933 1 13 ARG HE 1 38 ARG QD . . 5.000 14.686 9.601 20.169 15.169 11 25 [**********+*********-****] 1
934 1 2 ARG H 1 14 CYS H . . 5.000 17.553 17.129 17.927 12.927 7 25 [******+*****************-] 1
935 1 2 ARG HE 1 14 CYS H . . 5.000 19.026 16.483 20.334 15.334 21 25 [********************+***-] 1
936 1 4 GLN QG 1 14 CYS H . . 5.000 13.788 12.996 14.440 9.440 23 25 [*******************-**+**] 1
937 1 4 GLN QE 1 14 CYS H . . 5.000 13.286 10.744 15.833 10.833 13 25 [************+******-*****] 1
938 1 5 ASP QB 1 14 CYS H . . 5.000 11.883 11.644 12.163 7.163 17 25 [****************+***-****] 1
939 1 6 CYS QB 1 14 CYS H . . 5.000 10.151 9.936 10.508 5.508 21 25 [*************-******+****] 1
940 1 7 LEU QB 1 14 CYS H . . 5.000 8.864 8.392 9.370 4.370 23 25 [*******************-**+**] 1
941 1 7 LEU QD 1 14 CYS H . . 5.000 7.278 6.216 8.563 3.563 11 25 [***-******+**************] 1
942 1 9 GLU QG 1 14 CYS H . . 5.000 7.131 5.499 8.037 3.037 3 24 [**+********************-.] 1
943 1 14 CYS H 1 17 ILE MG . . 5.000 7.541 7.382 7.859 2.859 23 25 [**-*******************+**] 1
944 1 14 CYS H 1 18 PRO QD . . 5.000 9.076 8.836 9.242 4.242 24 25 [*******************-***+*] 1
945 1 14 CYS H 1 19 ASP QB . . 5.000 10.883 10.457 11.859 6.859 10 25 [*********+**-************] 1
946 1 14 CYS H 1 22 GLY QA . . 5.000 9.869 9.224 10.651 5.651 21 25 [********************+**-*] 1
947 1 14 CYS H 1 24 ARG HA . . 5.000 9.371 9.006 9.804 4.804 24 25 [*****-*****************+*] 1
948 1 14 CYS H 1 31 ALA MB . . 5.000 9.145 8.319 9.845 4.845 22 25 [*********************+-**] 1
949 1 14 CYS H 1 32 PRO QB . . 5.000 12.988 12.025 13.458 8.458 15 25 [**************+*****-****] 1
950 1 2 ARG H 1 15 THR H . . 5.000 19.240 18.903 19.584 14.584 11 25 [**********+*************-] 1
951 1 2 ARG QB 1 15 THR H . . 5.000 16.348 15.896 17.063 12.063 7 25 [*****-+******************] 1
952 1 3 TYR QB 1 15 THR H . . 5.000 15.618 15.333 15.930 10.930 23 25 [******************-***+**] 1
953 1 4 GLN HA 1 15 THR H . . 5.000 14.007 13.745 14.261 9.261 23 25 [**************-*******+**] 1
954 1 4 GLN QB 1 15 THR H . . 5.000 13.815 13.429 14.355 9.355 8 25 [*******+******-**********] 1
955 1 5 ASP QB 1 15 THR H . . 5.000 13.269 12.916 13.512 8.512 12 25 [***********+********-****] 1
956 1 6 CYS QB 1 15 THR H . . 5.000 11.896 11.647 12.193 7.193 11 25 [**********+*******-******] 1
957 1 7 LEU QB 1 15 THR H . . 5.000 10.002 9.490 10.452 5.452 23 25 [*******************-**+**] 1
958 1 7 LEU QD 1 15 THR H . . 5.000 8.252 7.087 9.816 4.816 11 25 [***-******+**************] 1
959 1 9 GLU QB 1 15 THR H . . 5.000 8.055 7.818 8.436 3.436 25 25 [*****************-******+] 1
960 1 9 GLU QG 1 15 THR H . . 5.000 8.391 7.139 9.182 4.182 9 25 [********+**************-*] 1
961 1 11 ASN H 1 15 THR H . . 5.000 6.001 5.885 6.097 1.097 7 25 [******+*************-****] 1
962 1 15 THR H 1 18 PRO QB . . 5.000 9.756 9.449 10.052 5.052 6 25 [*****+*****************-*] 1
963 1 15 THR H 1 18 PRO QD . . 5.000 7.888 7.777 8.079 3.079 6 25 [*****+*************-*****] 1
964 1 15 THR H 1 19 ASP QB . . 5.000 10.034 9.711 10.931 5.931 7 25 [******+*****-************] 1
965 1 15 THR H 1 21 ALA MB . . 5.000 11.796 11.142 12.176 7.176 3 25 [**+*******************-**] 1
966 1 15 THR H 1 22 GLY QA . . 5.000 9.647 9.102 10.119 5.119 21 25 [********************+**-*] 1
967 1 15 THR H 1 23 MET QB . . 5.000 6.287 5.797 6.644 1.644 11 25 [********-*+**************] 1
968 1 15 THR H 1 24 ARG HA . . 5.000 9.119 8.508 10.031 5.031 24 25 [*****-*****************+*] 1
969 1 15 THR H 1 24 ARG QB . . 5.000 10.026 9.429 10.518 5.518 24 25 [*****-*****************+*] 1
970 1 15 THR H 1 24 ARG QG . . 5.000 10.044 9.229 11.085 6.085 24 25 [********-**************+*] 1
971 1 15 THR H 1 25 ALA MB . . 5.000 10.325 9.876 10.640 5.640 18 25 [*****************+****-**] 1
972 1 15 THR H 1 27 ILE HA . . 5.000 6.981 6.192 7.403 2.403 15 25 [**************+*****-****] 1
973 1 15 THR H 1 27 ILE HB . . 5.000 7.228 6.755 7.633 2.633 24 25 [**********************-+*] 1
974 1 15 THR H 1 28 GLY QA . . 5.000 10.089 9.671 10.437 5.437 24 25 [**********-************+*] 1
975 1 15 THR H 1 29 LEU HA . . 5.000 13.419 12.535 13.793 8.793 15 25 [**************+*****-****] 1
976 1 15 THR H 1 29 LEU QB . . 5.000 11.159 10.605 11.703 6.703 15 25 [**************+*****-****] 1
977 1 15 THR H 1 29 LEU HG . . 5.000 14.372 13.699 15.082 10.082 15 25 [**************+**-*******] 1
978 1 15 THR H 1 30 CYS HA . . 5.000 10.897 9.293 11.490 6.490 14 25 [*************+******-****] 1
979 1 15 THR H 1 31 ALA MB . . 5.000 10.387 9.231 11.035 6.035 19 25 [******************+***-**] 1
980 1 15 THR H 1 32 PRO HA . . 5.000 16.423 15.118 17.054 12.054 19 25 [******************+*-****] 1
981 1 15 THR H 1 32 PRO QB . . 5.000 14.483 13.406 14.845 9.845 19 25 [******************+*-****] 1
982 1 15 THR H 1 32 PRO QD . . 5.000 11.800 10.855 12.247 7.247 19 25 [******************+*-****] 1
983 1 15 THR H 1 33 ALA MB . . 5.000 12.168 10.662 12.724 7.724 13 25 [************+*******-****] 1
984 1 15 THR H 1 34 CYS QB . . 5.000 11.616 10.030 12.212 7.212 19 25 [******************+*-****] 1
985 1 15 THR H 1 35 LEU QB . . 5.000 15.648 14.539 16.478 11.478 16 25 [***************+****-****] 1
986 1 15 THR H 1 35 LEU HG . . 5.000 18.215 14.864 20.661 15.661 19 25 [******************+***-**] 1
987 1 15 THR H 1 36 THR HA . . 5.000 20.858 19.121 21.538 16.538 25 25 [********************-***+] 1
988 1 15 THR H 1 37 SER HA . . 5.000 20.293 18.256 21.193 16.193 24 25 [********************-**+*] 1
989 1 15 THR H 1 37 SER QB . . 5.000 15.946 13.968 16.762 11.762 12 25 [***********+********-****] 1
990 1 15 THR H 1 38 ARG QG . . 5.000 17.735 15.624 19.481 14.481 25 25 [********************-***+] 1
991 1 3 TYR QB 1 16 TYR H . . 5.000 17.868 17.627 18.110 13.110 13 25 [*******-****+************] 1
992 1 4 GLN QG 1 16 TYR H . . 5.000 17.016 16.081 17.604 12.604 14 25 [*************+*****-*****] 1
993 1 6 CYS QB 1 16 TYR H . . 5.000 13.924 13.704 14.125 9.125 10 25 [*********+****-**********] 1
994 1 7 LEU QD 1 16 TYR H . . 5.000 10.162 9.001 11.629 6.629 11 25 [**********+**********-***] 1
995 1 9 GLU QG 1 16 TYR H . . 5.000 9.988 8.799 10.886 5.886 9 25 [********+***************-] 1
996 1 16 TYR H 1 22 GLY QA . . 5.000 9.147 8.414 9.582 4.582 11 25 [**********+************-*] 1
997 1 16 TYR H 1 26 CYS QB . . 5.000 7.150 6.943 7.246 2.246 15 25 [**************+*****-****] 1
998 1 16 TYR H 1 28 GLY QA . . 5.000 11.634 11.258 11.818 6.818 13 25 [************+*******-****] 1
999 1 16 TYR H 1 31 ALA H . . 5.000 13.030 11.835 13.594 8.594 19 25 [******************+*-****] 1
1000 1 16 TYR H 1 32 PRO QB . . 5.000 16.065 14.959 16.361 11.361 19 25 [******************+*-****] 1
1001 1 9 GLU QG 1 16 TYR QB . . 5.000 9.622 8.311 10.478 5.478 9 25 [********+*************-**] 1
1002 1 16 TYR QB 1 32 PRO QB . . 5.000 15.708 14.529 16.300 11.300 15 25 [**************+*****-****] 1
1003 1 4 GLN QG 1 16 TYR QD . . 5.000 17.854 15.296 18.806 13.806 14 25 [*************+*******-***] 1
1004 1 9 GLU QG 1 16 TYR QD . . 5.000 10.694 9.074 12.030 7.030 3 25 [**+******************-***] 1
1005 1 16 TYR QD 1 21 ALA HA . . 5.000 13.538 11.780 14.358 9.358 18 25 [**************-**+*******] 1
1006 1 16 TYR QD 1 22 GLY QA . . 5.000 9.461 7.756 10.519 5.519 18 25 [**************-**+*******] 1
1007 1 16 TYR QD 1 26 CYS QB . . 5.000 8.581 6.153 9.056 4.056 20 25 [**************-****+*****] 1
1008 1 16 TYR QD 1 29 LEU HA . . 5.000 16.401 14.011 16.850 11.850 17 25 [**************-*+********] 1
1009 1 16 TYR QD 1 32 PRO HA . . 5.000 19.671 17.230 20.371 15.371 16 25 [**************-+*********] 1
1010 1 16 TYR QD 1 36 THR HA . . 5.000 23.215 20.772 24.017 19.017 25 25 [**************-*********+] 1
1011 1 3 TYR QB 1 17 ILE H . . 5.000 18.973 18.469 19.677 14.677 23 25 [******************-***+**] 1
1012 1 4 GLN QG 1 17 ILE H . . 5.000 18.309 17.433 19.239 14.239 23 25 [*******************-**+**] 1
1013 1 6 CYS QB 1 17 ILE H . . 5.000 15.156 14.793 15.570 10.570 23 25 [******************-***+**] 1
1014 1 7 LEU QD 1 17 ILE H . . 5.000 10.767 9.595 12.478 7.478 11 25 [***-******+**************] 1
1015 1 9 GLU QG 1 17 ILE H . . 5.000 11.906 10.481 12.856 7.856 9 25 [********+***************-] 1
1016 1 17 ILE H 1 19 ASP HA . . 5.000 7.962 7.664 8.234 3.234 19 25 [******************+***-**] 1
1017 1 17 ILE H 1 22 GLY QA . . 5.000 7.134 6.475 7.486 2.486 11 25 [**********+************-*] 1
1018 1 17 ILE H 1 28 GLY QA . . 5.000 11.115 10.755 11.346 6.346 13 25 [**********-*+************] 1
1019 1 17 ILE H 1 31 ALA H . . 5.000 13.193 12.183 13.657 8.657 22 25 [********************-+***] 1
1020 1 17 ILE H 1 34 CYS HA . . 5.000 17.524 15.826 18.028 13.028 24 25 [********************-**+*] 1
1021 1 7 LEU QD 1 17 ILE HB . . 5.000 10.654 9.473 12.617 7.617 11 25 [***-******+**************] 1
1022 1 1 ASP HA 1 17 ILE QG . . 5.000 21.519 20.157 22.474 17.474 14 25 [*************+**********-] 1
1023 1 2 ARG QD 1 17 ILE QG . . 5.000 18.688 16.778 20.050 15.050 8 25 [*******+*-***************] 1
1024 1 3 TYR HA 1 17 ILE QG . . 5.000 17.154 16.357 18.278 13.278 23 25 [**********************+*-] 1
1025 1 5 ASP HA 1 17 ILE QG . . 5.000 15.901 15.183 16.695 11.695 14 25 [*************+*****-*****] 1
1026 1 6 CYS QB 1 17 ILE QG . . 5.000 13.363 12.779 14.090 9.090 23 25 [******************-***+**] 1
1027 1 16 TYR HA 1 17 ILE QG . . 5.000 5.095 4.913 5.189 0.189 11 0 "[ . 1 . 2 .]" 1
1028 1 17 ILE QG 1 19 ASP HA . . 5.000 7.036 6.931 7.281 2.281 19 25 [************-*****+******] 1
1029 1 17 ILE QG 1 29 LEU HA . . 5.000 11.570 10.406 12.504 7.504 22 25 [**********-**********+***] 1
1030 1 17 ILE QG 1 30 CYS HA . . 5.000 9.992 8.406 10.897 5.897 24 25 [**********-************+*] 1
1031 1 17 ILE QG 1 32 PRO HA . . 5.000 15.547 14.243 16.439 11.439 22 25 [**********-**********+***] 1
1032 1 17 ILE QG 1 34 CYS HA . . 5.000 14.626 13.324 15.543 10.543 24 25 [**********-************+*] 1
1033 1 17 ILE QG 1 35 LEU HA . . 5.000 17.637 16.465 18.566 13.566 24 25 [**********-************+*] 1
1034 1 17 ILE QG 1 36 THR HA . . 5.000 19.525 18.105 20.532 15.532 4 25 [***+******-**************] 1
1035 1 17 ILE QG 1 36 THR HB . . 5.000 18.226 15.972 19.757 14.757 13 25 [**********-*+************] 1
1036 1 17 ILE QG 1 38 ARG QD . . 5.000 17.833 15.216 20.850 15.850 23 25 [********************-*+**] 1
1037 1 7 LEU HG 1 18 PRO QB . . 5.000 18.641 17.128 19.892 14.892 12 25 [********-**+*************] 1
1038 1 7 LEU QD 1 18 PRO QB . . 5.000 13.789 12.537 15.657 10.657 11 25 [***-******+**************] 1
1039 1 15 THR MG 1 18 PRO QB . . 5.000 7.816 7.353 8.171 3.171 22 25 [**************-******+***] 1
1040 1 18 PRO QB 1 29 LEU QD . . 5.000 13.018 12.362 13.687 8.687 23 25 [******************-***+**] 1
1041 1 18 PRO QB 1 35 LEU QD . . 5.000 18.106 16.494 19.202 14.202 25 25 [********************-***+] 1
1042 1 18 PRO QB 1 36 THR MG . . 5.000 21.147 20.387 22.259 17.259 25 25 [*********-**************+] 1
1043 1 9 GLU QG 1 18 PRO QD . . 5.000 13.942 12.562 14.979 9.979 9 25 [********+***************-] 1
1044 1 7 LEU QD 1 18 PRO QD . . 5.000 12.459 11.419 13.918 8.918 11 25 [**********+*************-] 1
1045 1 18 PRO QD 1 24 ARG QB . . 5.000 9.360 9.132 9.626 4.626 15 25 [*-************+**********] 1
1046 1 18 PRO QD 1 29 LEU QB . . 5.000 12.177 11.637 12.668 7.668 23 25 [**********-***********+**] 1
1047 1 18 PRO QD 1 32 PRO QB . . 5.000 16.588 15.834 16.873 11.873 14 25 [**********-**+***********] 1
1048 1 18 PRO QD 1 33 ALA MB . . 5.000 14.205 12.924 14.913 9.913 24 25 [**********-************+*] 1
1049 1 18 PRO QD 1 38 ARG QG . . 5.000 21.522 19.835 22.930 17.930 19 25 [******************+*-****] 1
1050 1 1 ASP HA 1 19 ASP H . . 5.000 28.271 26.653 29.349 24.349 11 25 [**********+*************-] 1
1051 1 1 ASP QB 1 19 ASP H . . 5.000 25.292 23.955 26.449 21.449 11 25 [**********+-*************] 1
1052 1 2 ARG QG 1 19 ASP H . . 5.000 24.315 21.999 25.778 20.778 11 25 [**********+*************-] 1
1053 1 2 ARG QD 1 19 ASP H . . 5.000 25.113 23.513 26.142 21.142 22 25 [*********-***********+***] 1
1054 1 3 TYR HA 1 19 ASP H . . 5.000 23.411 22.507 24.481 19.481 11 25 [**********+*************-] 1
1055 1 3 TYR QB 1 19 ASP H . . 5.000 22.472 21.715 23.421 18.421 11 25 [**********+*************-] 1
1056 1 4 GLN QG 1 19 ASP H . . 5.000 21.950 20.802 23.190 18.190 11 25 [**********+********-*****] 1
1057 1 6 CYS QB 1 19 ASP H . . 5.000 19.003 18.322 19.809 14.809 21 25 [***********-********+****] 1
1058 1 7 LEU QB 1 19 ASP H . . 5.000 16.877 15.939 17.647 12.647 11 25 [**********+********-*****] 1
1059 1 7 LEU HG 1 19 ASP H . . 5.000 18.136 16.456 19.759 14.759 14 25 [*************+-**********] 1
1060 1 7 LEU QD 1 19 ASP H . . 5.000 13.366 11.782 15.627 10.627 11 25 [**********+*************-] 1
1061 1 9 GLU QG 1 19 ASP H . . 5.000 16.528 14.588 17.682 12.682 3 25 [**+*********************-] 1
1062 1 10 CYS HA 1 19 ASP H . . 5.000 14.394 13.564 14.924 9.924 1 25 [+***********************-] 1
1063 1 10 CYS QB 1 19 ASP H . . 5.000 13.794 12.872 14.456 9.456 1 25 [+***********************-] 1
1064 1 13 ARG QG 1 19 ASP H . . 5.000 11.828 10.570 13.407 8.407 8 25 [*******+***********-*****] 1
1065 1 13 ARG QD 1 19 ASP H . . 5.000 12.599 10.487 14.229 9.229 1 25 [+*******************-****] 1
1066 1 14 CYS QB 1 19 ASP H . . 5.000 8.392 7.806 9.070 4.070 21 25 [***********-********+****] 1
1067 1 15 THR HB 1 19 ASP H . . 5.000 9.928 9.116 10.600 5.600 1 25 [+*********************-**] 1
1068 1 15 THR MG 1 19 ASP H . . 5.000 8.404 7.538 8.888 3.888 1 25 [+*************-**********] 1
1069 1 16 TYR QB 1 19 ASP H . . 5.000 7.195 6.795 7.590 2.590 6 25 [*****+*************-*****] 1
1070 1 19 ASP H 1 24 ARG QB . . 5.000 8.038 7.693 8.337 3.337 6 25 [*****+*************-*****] 1
1071 1 19 ASP H 1 24 ARG QG . . 5.000 9.351 7.862 10.238 5.238 6 25 [*****+**********-********] 1
1072 1 19 ASP H 1 26 CYS QB . . 5.000 7.323 6.742 7.637 2.637 6 25 [*****+****-**************] 1
1073 1 19 ASP H 1 27 ILE QG . . 5.000 8.356 7.848 9.075 4.075 6 25 [*****+*************-*****] 1
1074 1 19 ASP H 1 27 ILE MD . . 5.000 7.654 7.062 8.211 3.211 6 25 [*****+*************-*****] 1
1075 1 19 ASP H 1 29 LEU QB . . 5.000 12.496 12.133 13.002 8.002 23 25 [***************-******+**] 1
1076 1 19 ASP H 1 30 CYS QB . . 5.000 12.242 11.566 13.030 8.030 19 25 [******************+*-****] 1
1077 1 19 ASP H 1 31 ALA HA . . 5.000 18.231 17.332 19.040 14.040 6 25 [*****+*****-*************] 1
1078 1 19 ASP H 1 31 ALA MB . . 5.000 14.889 13.920 15.787 10.787 6 25 [*****+*****-*************] 1
1079 1 19 ASP H 1 32 PRO QB . . 5.000 17.469 17.047 17.874 12.874 6 25 [*****+****-**************] 1
1080 1 19 ASP H 1 33 ALA HA . . 5.000 20.725 19.569 21.485 16.485 14 25 [**********-**+***********] 1
1081 1 19 ASP H 1 34 CYS QB . . 5.000 17.314 16.534 18.021 13.021 19 25 [******************+*-****] 1
1082 1 19 ASP H 1 35 LEU HA . . 5.000 23.967 23.175 24.807 19.807 19 25 [******************+***-**] 1
1083 1 19 ASP H 1 35 LEU QB . . 5.000 20.651 19.761 21.539 16.539 6 25 [*****+**********-********] 1
1084 1 19 ASP H 1 35 LEU QD . . 5.000 17.865 16.229 19.125 14.125 19 25 [******************+***-**] 1
1085 1 19 ASP H 1 36 THR MG . . 5.000 20.737 20.018 21.704 16.704 25 25 [*******************-****+] 1
1086 1 19 ASP H 1 38 ARG QB . . 5.000 23.073 21.252 25.412 20.412 19 25 [******************+*-****] 1
1087 1 19 ASP H 1 38 ARG QD . . 5.000 24.208 21.614 26.952 21.952 19 25 [******************+*-****] 1
1088 1 2 ARG QG 1 19 ASP QB . . 5.000 22.382 20.445 23.896 18.896 10 25 [*********+**************-] 1
1089 1 13 ARG QG 1 19 ASP QB . . 5.000 11.825 10.598 13.233 8.233 8 25 [*******+***********-*****] 1
1090 1 17 ILE HB 1 19 ASP QB . . 5.000 4.830 4.524 5.781 0.781 7 2 "[ . + - . 2 .]" 1
1091 1 17 ILE QG 1 19 ASP QB . . 5.000 5.122 4.746 6.035 1.035 10 2 "[ . - + . 2 .]" 1
1092 1 19 ASP QB 1 27 ILE HB . . 5.000 9.640 9.238 10.240 5.240 7 25 [******+**********-*******] 1
1093 1 19 ASP QB 1 29 LEU HG . . 5.000 13.737 12.511 14.882 9.882 23 25 [***-******************+**] 1
1094 1 19 ASP QB 1 35 LEU HG . . 5.000 21.474 19.766 23.002 18.002 19 25 [******************+***-**] 1
1095 1 19 ASP QB 1 38 ARG QB . . 5.000 20.747 19.397 22.926 17.926 7 25 [******+*************-****] 1
1096 1 3 TYR QD 1 20 TYR H . . 5.000 21.669 20.695 23.540 18.540 11 25 [**********+*******-******] 1
1097 1 3 TYR QE 1 20 TYR H . . 5.000 20.442 19.251 22.854 17.854 23 25 [*******-**************+**] 1
1098 1 4 GLN HA 1 20 TYR H . . 5.000 22.888 21.846 24.742 19.742 11 25 [**********+************-*] 1
1099 1 4 GLN QE 1 20 TYR H . . 5.000 21.364 19.026 24.554 19.554 3 25 [**+****-*****************] 1
1100 1 6 CYS H 1 20 TYR H . . 5.000 23.539 22.773 25.097 20.097 11 25 [**********+*************-] 1
1101 1 6 CYS QB 1 20 TYR H . . 5.000 20.377 19.588 21.889 16.889 11 25 [**********+*******-******] 1
1102 1 7 LEU HA 1 20 TYR H . . 5.000 18.412 17.623 20.293 15.293 11 25 [**********+*************-] 1
1103 1 7 LEU QB 1 20 TYR H . . 5.000 17.541 16.580 19.106 14.106 11 25 [**********+*******-******] 1
1104 1 7 LEU HG 1 20 TYR H . . 5.000 18.648 17.005 20.727 15.727 11 25 [********-*+**************] 1
1105 1 7 LEU QD 1 20 TYR H . . 5.000 13.722 12.164 16.786 11.786 11 25 [**********+*************-] 1
1106 1 8 SER QB 1 20 TYR H . . 5.000 18.568 17.472 19.408 14.408 3 25 [**+*********************-] 1
1107 1 9 GLU QG 1 20 TYR H . . 5.000 18.691 16.767 20.041 15.041 3 25 [**+*********************-] 1
1108 1 11 ASN HA 1 20 TYR H . . 5.000 13.222 12.529 14.063 9.063 11 25 [**********+*************-] 1
1109 1 11 ASN QD 1 20 TYR H . . 5.000 12.846 10.506 15.318 10.318 22 25 [************-********+***] 1
1110 1 12 SER H 1 20 TYR H . . 5.000 15.662 14.912 16.552 11.552 11 25 [**********+***********-**] 1
1111 1 12 SER QB 1 20 TYR H . . 5.000 14.849 14.138 15.708 10.708 11 25 [**********+**-***********] 1
1112 1 13 ARG QB 1 20 TYR H . . 5.000 14.343 13.650 15.208 10.208 21 25 [********************+*-**] 1
1113 1 13 ARG HE 1 20 TYR H . . 5.000 18.198 15.908 20.199 15.199 17 25 [********-*******+********] 1
1114 1 14 CYS H 1 20 TYR H . . 5.000 13.183 12.713 13.836 8.836 11 25 [**********+*************-] 1
1115 1 15 THR H 1 20 TYR H . . 5.000 11.815 11.018 12.412 7.412 3 25 [**+*******************-**] 1
1116 1 15 THR HA 1 20 TYR H . . 5.000 9.310 8.297 10.061 5.061 3 25 [**+*******************-**] 1
1117 1 15 THR MG 1 20 TYR H . . 5.000 10.389 9.419 11.037 6.037 18 25 [*****************+****-**] 1
1118 1 16 TYR H 1 20 TYR H . . 5.000 10.953 10.272 11.414 6.414 3 25 [**+*******************-**] 1
1119 1 16 TYR QD 1 20 TYR H . . 5.000 11.000 10.048 11.943 6.943 18 25 [**************-**+*******] 1
1120 1 17 ILE H 1 20 TYR H . . 5.000 8.655 8.071 9.090 4.090 3 25 [**+*******************-**] 1
1121 1 17 ILE QG 1 20 TYR H . . 5.000 7.824 7.450 8.084 3.084 18 25 [*****************+******-] 1
1122 1 18 PRO QG 1 20 TYR H . . 5.000 6.249 5.981 6.695 1.695 17 25 [****************+****-***] 1
1123 1 18 PRO QD 1 20 TYR H . . 5.000 6.746 6.576 6.972 1.972 17 25 [*************-**+********] 1
1124 1 20 TYR H 1 22 GLY QA . . 5.000 5.762 5.267 6.241 1.241 23 20 "[** **** ** ****** ** -+**]" 1
1125 1 20 TYR H 1 24 ARG HA . . 5.000 8.326 8.111 8.675 3.675 11 25 [*********-+**************] 1
1126 1 20 TYR H 1 24 ARG QB . . 5.000 6.236 6.089 6.604 1.604 11 25 [***-******+**************] 1
1127 1 20 TYR H 1 24 ARG QG . . 5.000 7.499 5.840 8.415 3.415 21 25 [*****************-**+****] 1
1128 1 20 TYR H 1 26 CYS QB . . 5.000 8.784 8.478 9.000 4.000 10 25 [*********+-**************] 1
1129 1 20 TYR H 1 27 ILE HA . . 5.000 12.786 12.578 13.027 8.027 3 25 [**+********-*************] 1
1130 1 20 TYR H 1 27 ILE QG . . 5.000 9.388 9.169 9.664 4.664 6 25 [*****+****************-**] 1
1131 1 20 TYR H 1 27 ILE MD . . 5.000 8.286 7.989 8.604 3.604 3 25 [**+********************-*] 1
1132 1 20 TYR H 1 28 GLY QA . . 5.000 11.794 11.441 12.361 7.361 21 25 [*********-**********+****] 1
1133 1 20 TYR H 1 29 LEU H . . 5.000 13.387 13.126 13.750 8.750 21 25 [*******************-+****] 1
1134 1 20 TYR H 1 29 LEU QB . . 5.000 12.932 12.591 13.530 8.530 23 25 [*****************-****+**] 1
1135 1 20 TYR H 1 30 CYS HA . . 5.000 16.789 16.426 17.281 12.281 19 25 [**********-*******+******] 1
1136 1 20 TYR H 1 31 ALA MB . . 5.000 15.121 14.202 15.721 10.721 6 25 [*****+****************-**] 1
1137 1 20 TYR H 1 32 PRO QB . . 5.000 17.651 17.371 18.123 13.123 21 25 [********************+**-*] 1
1138 1 20 TYR H 1 32 PRO QG . . 5.000 16.194 15.760 16.865 11.865 21 25 [********************+**-*] 1
1139 1 20 TYR H 1 32 PRO QD . . 5.000 15.644 15.269 16.119 11.119 6 25 [*****+****************-**] 1
1140 1 20 TYR H 1 33 ALA H . . 5.000 19.367 19.111 19.599 14.599 14 25 [*************+*****-*****] 1
1141 1 20 TYR H 1 33 ALA MB . . 5.000 16.571 16.103 17.114 12.114 14 25 [*************+*******-***] 1
1142 1 20 TYR H 1 35 LEU QD . . 5.000 18.149 16.294 19.468 14.468 11 25 [**********+***********-**] 1
1143 1 20 TYR H 1 36 THR H . . 5.000 24.024 23.713 24.310 19.310 5 25 [****+**-*****************] 1
1144 1 20 TYR H 1 36 THR MG . . 5.000 21.348 20.583 22.335 17.335 25 25 [*******************-****+] 1
1145 1 20 TYR H 1 37 SER HA . . 5.000 27.072 26.558 27.662 22.662 14 25 [**********-**+***********] 1
1146 1 20 TYR H 1 37 SER QB . . 5.000 22.209 21.591 22.786 17.786 24 25 [*-*********************+*] 1
1147 1 20 TYR H 1 38 ARG QG . . 5.000 25.628 24.553 27.121 22.121 11 25 [**********+********-*****] 1
1148 1 9 GLU QG 1 20 TYR QB . . 5.000 16.866 14.830 18.275 13.275 3 25 [**+*********************-] 1
1149 1 20 TYR QB 1 32 PRO QB . . 5.000 15.045 14.601 16.235 11.235 21 25 [********************+**-*] 1
1150 1 4 GLN HA 1 20 TYR QD . . 5.000 19.641 17.845 21.685 16.685 11 25 [**********+****-*********] 1
1151 1 4 GLN QG 1 20 TYR QD . . 5.000 19.125 17.481 21.423 16.423 11 25 [**********+****-*********] 1
1152 1 6 CYS QB 1 20 TYR QD . . 5.000 18.105 16.799 19.932 14.932 11 25 [**********+****-*********] 1
1153 1 7 LEU HA 1 20 TYR QD . . 5.000 16.133 14.680 18.271 13.271 11 25 [**********+****-*********] 1
1154 1 7 LEU QD 1 20 TYR QD . . 5.000 11.750 10.293 14.884 9.884 11 25 [***-******+**************] 1
1155 1 9 GLU QG 1 20 TYR QD . . 5.000 16.819 15.168 18.340 13.340 9 25 [********+*************-**] 1
1156 1 20 TYR QD 1 22 GLY QA . . 5.000 6.894 6.184 7.343 2.343 23 25 [********-*************+**] 1
1157 1 20 TYR QD 1 26 CYS QB . . 5.000 8.873 8.373 9.316 4.316 8 25 [*******+*******-*********] 1
1158 1 20 TYR QD 1 27 ILE HA . . 5.000 11.554 10.670 12.118 7.118 3 25 [**+************-*********] 1
1159 1 20 TYR QD 1 27 ILE QG . . 5.000 8.549 7.819 9.418 4.418 9 25 [********+*************-**] 1
1160 1 20 TYR QD 1 32 PRO QB . . 5.000 15.751 14.455 16.582 11.582 5 25 [****+**********-*********] 1
1161 1 20 TYR QD 1 32 PRO QD . . 5.000 13.795 12.598 14.610 9.610 11 25 [**********+****-*********] 1
1162 1 20 TYR QD 1 37 SER HA . . 5.000 24.686 23.490 25.274 20.274 24 25 [***************-*******+*] 1
1163 1 1 ASP HA 1 21 ALA H . . 5.000 29.191 27.701 31.393 26.393 11 25 [**********+*************-] 1
1164 1 2 ARG QB 1 21 ALA H . . 5.000 24.487 23.452 26.342 21.342 11 25 [********-*+**************] 1
1165 1 2 ARG QG 1 21 ALA H . . 5.000 25.396 23.036 28.035 23.035 11 25 [**********+*************-] 1
1166 1 3 TYR QD 1 21 ALA H . . 5.000 20.919 19.773 22.879 17.879 11 25 [**********+*******-******] 1
1167 1 3 TYR QE 1 21 ALA H . . 5.000 19.518 18.168 22.247 17.247 23 25 [*******-**************+**] 1
1168 1 4 GLN HA 1 21 ALA H . . 5.000 22.551 21.547 24.392 19.392 11 25 [**********+************-*] 1
1169 1 4 GLN QG 1 21 ALA H . . 5.000 22.141 21.244 24.196 19.196 11 25 [**********+*******-******] 1
1170 1 4 GLN QE 1 21 ALA H . . 5.000 21.164 18.851 24.010 19.010 10 25 [********-+***************] 1
1171 1 5 ASP HA 1 21 ALA H . . 5.000 23.594 22.769 25.083 20.083 11 25 [**********+*************-] 1
1172 1 6 CYS QB 1 21 ALA H . . 5.000 19.900 18.890 21.697 16.697 11 25 [**********+*******-******] 1
1173 1 7 LEU QD 1 21 ALA H . . 5.000 13.209 11.840 16.241 11.241 11 25 [**********+*************-] 1
1174 1 9 GLU QG 1 21 ALA H . . 5.000 19.012 16.998 20.402 15.402 3 25 [**+*********************-] 1
1175 1 11 ASN QD 1 21 ALA H . . 5.000 12.894 10.820 15.396 10.396 22 25 [*********************+*-*] 1
1176 1 13 ARG QB 1 21 ALA H . . 5.000 14.701 13.978 15.946 10.946 21 25 [********************+*-**] 1
1177 1 13 ARG QG 1 21 ALA H . . 5.000 15.088 13.476 16.603 11.603 4 25 [***+**********-**********] 1
1178 1 13 ARG HE 1 21 ALA H . . 5.000 18.615 16.198 20.865 15.865 8 25 [*******+***************-*] 1
1179 1 14 CYS HA 1 21 ALA H . . 5.000 12.107 11.636 12.788 7.788 21 25 [********************+*-**] 1
1180 1 15 THR H 1 21 ALA H . . 5.000 12.610 11.707 13.318 8.318 3 25 [**+*******************-**] 1
1181 1 16 TYR H 1 21 ALA H . . 5.000 12.110 11.254 12.827 7.827 3 25 [**+*******************-**] 1
1182 1 16 TYR HA 1 21 ALA H . . 5.000 12.264 11.416 12.940 7.940 18 25 [*****************+****-**] 1
1183 1 16 TYR QD 1 21 ALA H . . 5.000 12.411 10.878 13.649 8.649 18 25 [**************-**+*******] 1
1184 1 17 ILE H 1 21 ALA H . . 5.000 9.802 8.976 10.547 5.547 3 25 [**+*******************-**] 1
1185 1 17 ILE HB 1 21 ALA H . . 5.000 7.524 6.570 8.290 3.290 18 25 [*****************+****-**] 1
1186 1 17 ILE QG 1 21 ALA H . . 5.000 8.245 7.700 9.008 4.008 18 25 [*****************+******-] 1
1187 1 18 PRO HA 1 21 ALA H . . 5.000 8.071 7.724 8.564 3.564 3 25 [**+*******************-**] 1
1188 1 18 PRO QB 1 21 ALA H . . 5.000 7.857 7.549 8.304 3.304 11 25 [-*********+**************] 1
1189 1 18 PRO QG 1 21 ALA H . . 5.000 7.894 7.439 8.440 3.440 11 25 [*****-****+**************] 1
1190 1 19 ASP H 1 21 ALA H . . 5.000 5.959 5.286 6.727 1.727 3 24 "[**+******************* *-]" 1
1191 1 21 ALA H 1 26 CYS QB . . 5.000 8.022 7.759 8.406 3.406 3 25 [**+*********-************] 1
1192 1 21 ALA H 1 27 ILE HB . . 5.000 10.023 9.771 10.305 5.305 11 25 [**********+**-***********] 1
1193 1 21 ALA H 1 27 ILE QG . . 5.000 9.076 8.806 9.405 4.405 3 25 [**+*******************-**] 1
1194 1 21 ALA H 1 27 ILE MD . . 5.000 8.315 7.986 8.601 3.601 3 25 [**+********************-*] 1
1195 1 21 ALA H 1 29 LEU HA . . 5.000 14.274 13.925 15.035 10.035 21 25 [******************-*+****] 1
1196 1 21 ALA H 1 29 LEU QB . . 5.000 11.313 10.998 11.993 6.993 21 25 [********************+-***] 1
1197 1 21 ALA H 1 29 LEU HG . . 5.000 15.142 13.855 16.008 11.008 23 25 [***************-******+**] 1
1198 1 21 ALA H 1 30 CYS HA . . 5.000 15.617 15.249 15.956 10.956 14 25 [*************+*******-***] 1
1199 1 21 ALA H 1 32 PRO HA . . 5.000 19.475 19.028 20.241 15.241 21 25 [********************+**-*] 1
1200 1 21 ALA H 1 32 PRO QB . . 5.000 16.028 15.671 16.732 11.732 21 25 [*******-************+****] 1
1201 1 21 ALA H 1 32 PRO QG . . 5.000 14.581 14.113 15.391 10.391 21 25 [********************+**-*] 1
1202 1 21 ALA H 1 32 PRO QD . . 5.000 14.287 13.911 14.904 9.904 21 25 [********************+**-*] 1
1203 1 21 ALA H 1 34 CYS QB . . 5.000 17.706 17.399 18.321 13.321 11 25 [**********+-*************] 1
1204 1 21 ALA H 1 35 LEU HA . . 5.000 23.704 22.970 24.331 19.331 11 25 [**********+***********-**] 1
1205 1 21 ALA H 1 35 LEU QB . . 5.000 19.892 19.143 20.634 15.634 6 25 [*****+*******-***********] 1
1206 1 21 ALA H 1 35 LEU HG . . 5.000 23.387 21.042 25.023 20.023 2 25 [*+********************-**] 1
1207 1 21 ALA H 1 35 LEU QD . . 5.000 17.136 15.545 18.415 13.415 11 25 [**********+***********-**] 1
1208 1 21 ALA H 1 36 THR HA . . 5.000 25.141 24.622 25.687 20.687 21 25 [*******-************+****] 1
1209 1 21 ALA H 1 36 THR HB . . 5.000 23.539 22.209 24.980 19.980 5 25 [*-**+********************] 1
1210 1 21 ALA H 1 37 SER HA . . 5.000 25.701 25.105 26.277 21.277 14 25 [*************+*****-*****] 1
1211 1 21 ALA H 1 38 ARG QB . . 5.000 23.525 22.410 25.553 20.553 11 25 [********-*+**************] 1
1212 1 21 ALA H 1 38 ARG HE . . 5.000 28.600 24.671 31.556 26.556 7 25 [-*****+******************] 1
1213 1 7 LEU QD 1 21 ALA HA . . 5.000 11.981 10.894 14.783 9.783 11 25 [**********+*************-] 1
1214 1 2 ARG QD 1 22 GLY H . . 5.000 24.894 23.302 26.426 21.426 21 25 [*********-**********+****] 1
1215 1 2 ARG HE 1 22 GLY H . . 5.000 28.914 25.414 31.883 26.883 21 25 [********************+***-] 1
1216 1 3 TYR QE 1 22 GLY H . . 5.000 18.813 17.625 21.513 16.513 23 25 [*******-**************+**] 1
1217 1 4 GLN QE 1 22 GLY H . . 5.000 20.935 18.678 23.817 18.817 10 25 [********-+***************] 1
1218 1 11 ASN QD 1 22 GLY H . . 5.000 12.628 10.306 14.476 9.476 22 25 [*********************+*-*] 1
1219 1 13 ARG HE 1 22 GLY H . . 5.000 16.763 13.881 19.117 14.117 8 25 [*******+***************-*] 1
1220 1 16 TYR QE 1 22 GLY H . . 5.000 12.707 9.010 14.672 9.672 18 25 [**************-**+*******] 1
1221 1 20 TYR QE 1 22 GLY H . . 5.000 7.619 5.721 8.418 3.418 23 25 [********-*************+**] 1
1222 1 22 GLY H 1 24 ARG QG . . 5.000 6.867 5.649 7.419 2.419 23 25 [*****************-****+**] 1
1223 1 22 GLY H 1 24 ARG HE . . 5.000 7.788 7.047 9.046 4.046 21 25 [********-***********+****] 1
1224 1 22 GLY H 1 26 CYS QB . . 5.000 6.142 5.865 6.462 1.462 3 25 [**+********************-*] 1
1225 1 22 GLY H 1 27 ILE MD . . 5.000 7.893 7.129 8.057 3.057 5 25 [****+******************-*] 1
1226 1 22 GLY H 1 32 PRO QB . . 5.000 14.772 14.517 15.314 10.314 21 25 [*******************-+****] 1
1227 1 22 GLY H 1 35 LEU QD . . 5.000 16.313 14.996 17.393 12.393 9 25 [********+*************-**] 1
1228 1 2 ARG QB 1 22 GLY QA . . 5.000 19.500 18.706 20.897 15.897 11 25 [********-*+**************] 1
1229 1 4 GLN QG 1 22 GLY QA . . 5.000 18.679 18.022 19.995 14.995 11 25 [*****-****+**************] 1
1230 1 7 LEU HG 1 22 GLY QA . . 5.000 14.418 13.174 15.599 10.599 14 25 [*****-*******+***********] 1
1231 1 7 LEU QD 1 22 GLY QA . . 5.000 10.568 9.432 12.771 7.771 11 25 [**********+*************-] 1
1232 1 9 GLU QG 1 22 GLY QA . . 5.000 14.859 12.779 16.028 11.028 3 25 [**+********************-*] 1
1233 1 14 CYS HA 1 22 GLY QA . . 5.000 8.109 7.610 8.690 3.690 21 25 [********************+**-*] 1
1234 1 15 THR MG 1 22 GLY QA . . 5.000 9.536 9.090 9.831 4.831 18 25 [*****************+*****-*] 1
1235 1 22 GLY QA 1 29 LEU QB . . 5.000 7.137 6.839 7.666 2.666 21 25 [*******************-+****] 1
1236 1 22 GLY QA 1 32 PRO QB . . 5.000 11.823 11.513 12.254 7.254 21 25 [*******************-+****] 1
1237 1 22 GLY QA 1 34 CYS HA . . 5.000 15.761 15.324 16.410 11.410 23 25 [*******************-**+**] 1
1238 1 22 GLY QA 1 35 LEU QB . . 5.000 15.404 14.846 15.815 10.815 21 25 [*************-******+****] 1
1239 1 22 GLY QA 1 36 THR MG . . 5.000 15.032 14.273 15.797 10.797 21 25 [*********-**********+****] 1
1240 1 2 ARG HE 1 23 MET H . . 5.000 26.722 23.355 29.433 24.433 21 25 [********************+***-] 1
1241 1 13 ARG HE 1 23 MET H . . 5.000 14.537 12.132 16.549 11.549 17 25 [****************+******-*] 1
1242 1 14 CYS HA 1 23 MET H . . 5.000 8.047 7.725 8.554 3.554 11 25 [*********-+**************] 1
1243 1 15 THR H 1 23 MET H . . 5.000 8.909 8.447 9.367 4.367 11 25 [**********+***********-**] 1
1244 1 23 MET H 1 33 ALA H . . 5.000 14.867 14.621 15.089 10.089 5 25 [****+**************-*****] 1
1245 1 7 LEU QD 1 23 MET HA . . 5.000 9.264 7.932 11.900 6.900 11 25 [**********+*************-] 1
1246 1 23 MET HA 1 32 PRO QB . . 5.000 12.412 12.088 12.686 7.686 6 25 [*****+*****************-*] 1
1247 1 2 ARG QB 1 23 MET QG . . 5.000 16.530 15.601 17.728 12.728 11 25 [********-*+**************] 1
1248 1 6 CYS QB 1 23 MET QG . . 5.000 12.391 11.700 13.620 8.620 11 25 [**********+*******-******] 1
1249 1 7 LEU QB 1 23 MET QG . . 5.000 10.039 9.307 11.041 6.041 11 25 [**********+*******-******] 1
1250 1 7 LEU QD 1 23 MET QG . . 5.000 7.696 6.707 10.133 5.133 11 25 [*******-**+**************] 1
1251 1 14 CYS HA 1 23 MET QG . . 5.000 4.789 4.459 5.059 0.059 11 0 "[ . 1 . 2 .]" 1
1252 1 17 ILE QG 1 23 MET QG . . 5.000 3.716 2.967 4.418 . 0 0 "[ . 1 . 2 .]" 1
1253 1 23 MET QG 1 24 ARG QB . . 5.000 4.948 4.428 5.712 0.712 24 2 "[ . - . 2 +.]" 1
1254 1 23 MET QG 1 29 LEU QB . . 5.000 8.153 7.786 8.551 3.551 24 25 [*****************-*****+*] 1
1255 1 23 MET QG 1 32 PRO QB . . 5.000 11.786 11.367 12.515 7.515 24 25 [**********************-+*] 1
1256 1 23 MET QG 1 35 LEU QB . . 5.000 13.986 13.081 14.914 9.914 24 25 [****************-******+*] 1
1257 1 2 ARG HE 1 24 ARG H . . 5.000 25.775 22.525 28.433 23.433 21 25 [********************+***-] 1
1258 1 13 ARG HE 1 24 ARG H . . 5.000 15.254 13.333 17.084 12.084 8 25 [*******+***************-*] 1
1259 1 14 CYS HA 1 24 ARG H . . 5.000 8.980 8.790 9.280 4.280 24 25 [*********************-*+*] 1
1260 1 15 THR H 1 24 ARG H . . 5.000 9.288 8.759 9.663 4.663 24 25 [**********************-+*] 1
1261 1 24 ARG H 1 33 ALA H . . 5.000 13.694 13.495 13.929 8.929 5 25 [****+******************-*] 1
1262 1 9 GLU QG 1 24 ARG HA . . 5.000 14.265 12.469 15.400 10.400 10 25 [*********+**************-] 1
1263 1 19 ASP HA 1 24 ARG QB . . 5.000 7.578 7.413 7.832 2.832 11 25 [***-******+**************] 1
1264 1 24 ARG QB 1 34 CYS HA . . 5.000 15.611 15.142 16.088 11.088 11 25 [**-*******+**************] 1
1265 1 8 SER QB 1 24 ARG QG . . 5.000 13.058 12.088 13.826 8.826 11 25 [*****-****+**************] 1
1266 1 12 SER QB 1 24 ARG QG . . 5.000 11.875 11.102 12.629 7.629 24 25 [*****-*****************+*] 1
1267 1 14 CYS HA 1 24 ARG QG . . 5.000 10.428 9.800 11.187 6.187 24 25 [*****************-*****+*] 1
1268 1 18 PRO QD 1 24 ARG QG . . 5.000 10.420 9.130 11.202 6.202 12 25 [***********+*****-*******] 1
1269 1 17 ILE QG 1 24 ARG HE . . 5.000 10.870 8.708 12.447 7.447 21 25 [********************+***-] 1
1270 1 24 ARG HE 1 26 CYS QB . . 5.000 8.848 6.965 9.841 4.841 21 25 [***-****************+****] 1
1271 1 24 ARG HE 1 27 ILE QG . . 5.000 8.449 5.529 9.410 4.410 17 25 [***-************+********] 1
1272 1 2 ARG H 1 25 ALA H . . 5.000 23.577 22.476 25.457 20.457 11 25 [********-*+**************] 1
1273 1 2 ARG QD 1 25 ALA H . . 5.000 21.497 20.076 22.827 17.827 21 25 [******-*************+****] 1
1274 1 2 ARG HE 1 25 ALA H . . 5.000 25.100 21.582 27.920 22.920 21 25 [********************+***-] 1
1275 1 3 TYR QB 1 25 ALA H . . 5.000 17.869 16.808 19.578 14.578 23 25 [******************-***+**] 1
1276 1 4 GLN QG 1 25 ALA H . . 5.000 18.257 17.450 19.786 14.786 23 25 [***-******************+**] 1
1277 1 5 ASP QB 1 25 ALA H . . 5.000 18.679 17.975 19.902 14.902 11 25 [**********+*************-] 1
1278 1 6 CYS QB 1 25 ALA H . . 5.000 15.341 14.370 16.988 11.988 11 25 [**********+*******-******] 1
1279 1 7 LEU QD 1 25 ALA H . . 5.000 9.548 8.340 12.145 7.145 11 25 [**********+*************-] 1
1280 1 9 GLU QG 1 25 ALA H . . 5.000 15.757 13.574 16.820 11.820 10 25 [*********+**************-] 1
1281 1 13 ARG HE 1 25 ALA H . . 5.000 15.539 13.318 17.404 12.404 5 25 [****+******************-*] 1
1282 1 14 CYS HA 1 25 ALA H . . 5.000 9.743 9.523 9.935 4.935 18 25 [**************-**+*******] 1
1283 1 16 TYR QD 1 25 ALA H . . 5.000 12.549 10.215 13.243 8.243 18 25 [**************-**+*******] 1
1284 1 16 TYR QE 1 25 ALA H . . 5.000 14.308 9.582 15.279 10.279 18 25 [**************-**+*******] 1
1285 1 18 PRO HA 1 25 ALA H . . 5.000 11.071 10.648 11.470 6.470 12 25 [***-*******+*************] 1
1286 1 19 ASP HA 1 25 ALA H . . 5.000 8.742 8.506 8.923 3.923 12 25 [***-*******+*************] 1
1287 1 19 ASP QB 1 25 ALA H . . 5.000 6.507 6.126 6.887 1.887 7 25 [**-***+******************] 1
1288 1 20 TYR H 1 25 ALA H . . 5.000 7.912 7.643 8.120 3.120 14 25 [*************+*******-***] 1
1289 1 20 TYR QE 1 25 ALA H . . 5.000 9.318 7.309 10.312 5.312 3 25 [**+************-*********] 1
1290 1 25 ALA H 1 32 PRO QB . . 5.000 10.712 10.392 11.169 6.169 21 25 [********************+**-*] 1
1291 1 25 ALA H 1 38 ARG QD . . 5.000 19.887 18.338 22.294 17.294 23 25 [***************-******+**] 1
1292 1 2 ARG H 1 26 CYS H . . 5.000 22.019 20.994 23.752 18.752 11 25 [**********+*************-] 1
1293 1 3 TYR QB 1 26 CYS H . . 5.000 16.787 15.842 18.415 13.415 23 25 [******************-***+**] 1
1294 1 4 GLN QG 1 26 CYS H . . 5.000 17.412 16.537 18.901 13.901 23 25 [*****-****************+**] 1
1295 1 7 LEU QD 1 26 CYS H . . 5.000 8.764 7.609 11.131 6.131 11 25 [**********+*************-] 1
1296 1 9 GLU QG 1 26 CYS H . . 5.000 13.998 11.697 14.978 9.978 17 25 [****************+*******-] 1
1297 1 10 CYS QB 1 26 CYS H . . 5.000 9.184 8.197 10.026 5.026 23 25 [******************-***+**] 1
1298 1 11 ASN H 1 26 CYS H . . 5.000 10.549 9.999 11.237 6.237 21 25 [********************+-***] 1
1299 1 11 ASN QB 1 26 CYS H . . 5.000 9.351 8.019 9.906 4.906 14 25 [*************+*******-***] 1
1300 1 11 ASN QD 1 26 CYS H . . 5.000 9.295 8.001 11.448 6.448 8 25 [*******+***************-*] 1
1301 1 13 ARG QB 1 26 CYS H . . 5.000 9.920 9.504 11.073 6.073 21 25 [*******-************+****] 1
1302 1 13 ARG HE 1 26 CYS H . . 5.000 13.201 10.885 15.223 10.223 17 25 [****************+******-*] 1
1303 1 14 CYS HA 1 26 CYS H . . 5.000 7.755 7.601 7.866 2.866 24 25 [**************-********+*] 1
1304 1 16 TYR QD 1 26 CYS H . . 5.000 11.283 8.701 11.734 6.734 18 25 [**************-**+*******] 1
1305 1 16 TYR QE 1 26 CYS H . . 5.000 13.120 7.744 13.786 8.786 18 25 [**************-**+*******] 1
1306 1 18 PRO QB 1 26 CYS H . . 5.000 11.094 10.744 11.432 6.432 23 25 [**********-***********+**] 1
1307 1 18 PRO QG 1 26 CYS H . . 5.000 10.357 9.954 10.662 5.662 24 25 [**********-************+*] 1
1308 1 19 ASP QB 1 26 CYS H . . 5.000 6.915 6.369 7.774 2.774 10 25 [*********+-**************] 1
1309 1 20 TYR H 1 26 CYS H . . 5.000 9.199 8.937 9.427 4.427 23 25 [*********************-+**] 1
1310 1 20 TYR QE 1 26 CYS H . . 5.000 10.767 9.102 11.600 6.600 3 25 [**+************-*********] 1
1311 1 21 ALA H 1 26 CYS H . . 5.000 7.774 7.561 8.000 3.000 3 25 [**+*********-************] 1
1312 1 26 CYS H 1 32 PRO QB . . 5.000 9.843 9.583 10.124 5.124 23 25 [*****************-****+**] 1
1313 1 26 CYS H 1 32 PRO QG . . 5.000 8.703 8.470 9.020 4.020 21 25 [********************+**-*] 1
1314 1 26 CYS H 1 38 ARG QD . . 5.000 18.216 16.604 20.867 15.867 23 25 [*********************-+**] 1
1315 1 1 ASP HA 1 26 CYS QB . . 5.000 19.994 18.828 21.415 16.415 11 25 [**********+*************-] 1
1316 1 2 ARG QB 1 26 CYS QB . . 5.000 15.693 14.929 16.962 11.962 11 25 [********-*+**************] 1
1317 1 3 TYR HA 1 26 CYS QB . . 5.000 14.830 14.093 16.280 11.280 11 25 [**********+*************-] 1
1318 1 4 GLN QB 1 26 CYS QB . . 5.000 14.962 14.438 15.620 10.620 11 25 [**********+*************-] 1
1319 1 4 GLN QG 1 26 CYS QB . . 5.000 15.338 14.657 16.356 11.356 11 25 [***-******+**************] 1
1320 1 7 LEU QB 1 26 CYS QB . . 5.000 10.422 9.874 11.197 6.197 11 25 [**********+****-*********] 1
1321 1 7 LEU QD 1 26 CYS QB . . 5.000 7.777 6.717 9.731 4.731 11 25 [**********+*************-] 1
1322 1 9 GLU QB 1 26 CYS QB . . 5.000 10.605 10.094 11.331 6.331 5 25 [****+*************-******] 1
1323 1 10 CYS HA 1 26 CYS QB . . 5.000 7.954 7.318 8.668 3.668 21 25 [********************+***-] 1
1324 1 13 ARG QG 1 26 CYS QB . . 5.000 7.693 6.346 8.979 3.979 5 25 [****+*********-**********] 1
1325 1 14 CYS HA 1 26 CYS QB . . 5.000 5.082 4.998 5.133 0.133 14 0 "[ . 1 . 2 .]" 1
1326 1 15 THR HB 1 26 CYS QB . . 5.000 8.030 7.515 8.311 3.311 7 25 [******+***************-**] 1
1327 1 18 PRO QB 1 26 CYS QB . . 5.000 9.381 8.847 9.705 4.705 23 25 [**********-***********+**] 1
1328 1 19 ASP HA 1 26 CYS QB . . 5.000 8.739 8.206 9.096 4.096 23 25 [**********-***********+**] 1
1329 1 23 MET QB 1 26 CYS QB . . 5.000 4.400 4.205 4.532 . 0 0 "[ . 1 . 2 .]" 1
1330 1 24 ARG QG 1 26 CYS QB . . 5.000 6.538 6.246 6.835 1.835 24 25 [*****************-*****+*] 1
1331 1 26 CYS QB 1 29 LEU QB . . 5.000 4.960 4.602 5.355 0.355 17 0 "[ . 1 . 2 .]" 1
1332 1 26 CYS QB 1 31 ALA HA . . 5.000 9.658 9.236 10.003 5.003 19 25 [***********-******+******] 1
1333 1 26 CYS QB 1 32 PRO QB . . 5.000 9.330 9.063 9.529 4.529 14 25 [*************+***-*******] 1
1334 1 26 CYS QB 1 33 ALA HA . . 5.000 11.194 10.797 11.693 6.693 14 25 [**********-**+***********] 1
1335 1 26 CYS QB 1 34 CYS HA . . 5.000 11.715 11.336 12.259 7.259 23 25 [*-********************+**] 1
1336 1 26 CYS QB 1 35 LEU HA . . 5.000 14.466 14.170 14.814 9.814 19 25 [******************+***-**] 1
1337 1 26 CYS QB 1 35 LEU QB . . 5.000 12.228 11.767 12.547 7.547 20 25 [*************-*****+*****] 1
1338 1 26 CYS QB 1 38 ARG QB . . 5.000 14.448 13.305 16.154 11.154 23 25 [**-*******************+**] 1
1339 1 14 CYS HA 1 27 ILE H . . 5.000 6.533 6.185 6.785 1.785 14 25 [*************+******-****] 1
1340 1 18 PRO HA 1 27 ILE H . . 5.000 11.268 10.746 11.762 6.762 23 25 [*****************-****+**] 1
1341 1 19 ASP H 1 27 ILE H . . 5.000 9.467 8.993 9.992 4.992 6 25 [*****+*************-*****] 1
1342 1 27 ILE H 1 30 CYS HA . . 5.000 6.795 6.499 7.277 2.277 14 25 [*************+******-****] 1
1343 1 27 ILE H 1 32 PRO QB . . 5.000 9.367 9.209 9.610 4.610 22 25 [*******-*************+***] 1
1344 1 27 ILE H 1 37 SER HA . . 5.000 17.183 16.885 17.641 12.641 24 25 [*****-*****************+*] 1
1345 1 1 ASP HA 1 27 ILE QG . . 5.000 17.003 15.766 18.618 13.618 11 25 [**********+*************-] 1
1346 1 2 ARG QD 1 27 ILE QG . . 5.000 15.187 13.721 16.383 11.383 21 25 [*********-**********+****] 1
1347 1 3 TYR HA 1 27 ILE QG . . 5.000 12.391 11.548 14.088 9.088 11 25 [********-*+**************] 1
1348 1 3 TYR QB 1 27 ILE QG . . 5.000 12.457 11.794 13.779 8.779 11 25 [**********+*******-******] 1
1349 1 4 GLN QG 1 27 ILE QG . . 5.000 12.297 11.715 13.564 8.564 11 25 [**********+**********-***] 1
1350 1 5 ASP HA 1 27 ILE QG . . 5.000 11.787 11.152 12.881 7.881 11 25 [**********+*************-] 1
1351 1 16 TYR HA 1 27 ILE QG . . 5.000 8.041 7.513 8.353 3.353 15 25 [**********-***+**********] 1
1352 1 19 ASP HA 1 27 ILE QG . . 5.000 9.763 9.478 10.194 5.194 6 25 [*****+**************-****] 1
1353 1 27 ILE QG 1 29 LEU HA . . 5.000 7.901 7.820 8.113 3.113 22 25 [*********************+**-] 1
1354 1 27 ILE QG 1 30 CYS HA . . 5.000 6.721 6.342 7.167 2.167 12 25 [***********+********-****] 1
1355 1 27 ILE QG 1 32 PRO HA . . 5.000 11.110 10.502 11.546 6.546 22 25 [*********************+-**] 1
1356 1 27 ILE QG 1 34 CYS HA . . 5.000 11.192 10.778 11.483 6.483 4 25 [***+**********-**********] 1
1357 1 27 ILE QG 1 35 LEU HA . . 5.000 13.270 12.324 13.787 8.787 18 25 [*****************+****-**] 1
1358 1 27 ILE QG 1 36 THR HA . . 5.000 15.675 15.235 16.099 11.099 18 25 [****************-+*******] 1
1359 1 27 ILE QG 1 36 THR HB . . 5.000 14.783 13.619 15.806 10.806 5 25 [****+**-*****************] 1
1360 1 2 ARG H 1 28 GLY H . . 5.000 19.167 18.093 20.956 15.956 11 25 [********-*+**************] 1
1361 1 2 ARG QD 1 28 GLY H . . 5.000 17.668 16.088 18.996 13.996 20 25 [******************-+*****] 1
1362 1 4 GLN QE 1 28 GLY H . . 5.000 13.892 11.495 16.812 11.812 10 25 [********-+***************] 1
1363 1 6 CYS QB 1 28 GLY H . . 5.000 11.517 10.333 13.149 8.149 11 25 [**********+*******-******] 1
1364 1 7 LEU QD 1 28 GLY H . . 5.000 6.258 5.172 8.715 3.715 11 19 "[*** * ** *+****-* *** **.]" 1
1365 1 14 CYS HA 1 28 GLY H . . 5.000 8.986 8.592 9.157 4.157 16 25 [***************+****-****] 1
1366 1 16 TYR QE 1 28 GLY H . . 5.000 14.921 9.889 15.580 10.580 13 25 [************+*-**********] 1
1367 1 18 PRO HA 1 28 GLY H . . 5.000 13.374 12.960 13.911 8.911 6 25 [***-*+*******************] 1
1368 1 19 ASP HA 1 28 GLY H . . 5.000 12.317 12.131 12.666 7.666 6 25 [*****+*****************-*] 1
1369 1 20 TYR H 1 28 GLY H . . 5.000 11.496 11.255 11.840 6.840 21 25 [*********-**********+****] 1
1370 1 20 TYR QE 1 28 GLY H . . 5.000 11.763 8.892 12.797 7.797 3 25 [**+************-*********] 1
1371 1 28 GLY H 1 30 CYS HA . . 5.000 6.517 6.227 6.775 1.775 14 25 [*************+*******-***] 1
1372 1 28 GLY H 1 34 CYS HA . . 5.000 11.973 11.719 12.364 7.364 23 25 [*****-****************+**] 1
1373 1 28 GLY H 1 37 SER HA . . 5.000 16.429 16.246 16.662 11.662 4 25 [***+*-*******************] 1
1374 1 7 LEU QD 1 28 GLY QA . . 5.000 4.797 3.960 6.935 1.935 11 4 "[ * 1+ . - 2 * .]" 1
1375 1 18 PRO QG 1 28 GLY QA . . 5.000 13.497 13.234 13.758 8.758 12 25 [**-********+*************] 1
1376 1 28 GLY QA 1 32 PRO QB . . 5.000 5.885 5.637 6.144 1.144 22 25 [*************-*******+***] 1
1377 1 1 ASP QB 1 29 LEU H . . 5.000 17.277 15.774 19.040 14.040 17 25 [****************+*-******] 1
1378 1 3 TYR QB 1 29 LEU H . . 5.000 13.467 12.353 15.195 10.195 23 25 [******************-***+**] 1
1379 1 4 GLN QB 1 29 LEU H . . 5.000 14.781 14.112 15.779 10.779 5 25 [****+*******************-] 1
1380 1 4 GLN QG 1 29 LEU H . . 5.000 14.752 13.924 16.136 11.136 23 25 [*****-****************+**] 1
1381 1 6 CYS QB 1 29 LEU H . . 5.000 10.974 9.724 12.441 7.441 11 25 [**********+*******-******] 1
1382 1 7 LEU QB 1 29 LEU H . . 5.000 9.498 8.885 10.361 5.361 23 25 [**********************+*-] 1
1383 1 7 LEU HG 1 29 LEU H . . 5.000 9.014 7.778 10.022 5.022 14 25 [*************+****-******] 1
1384 1 7 LEU QD 1 29 LEU H . . 5.000 6.420 5.424 8.323 3.323 11 24 [***-******+*************.] 1
1385 1 8 SER QB 1 29 LEU H . . 5.000 12.852 12.287 13.548 8.548 5 25 [****+**********-*********] 1
1386 1 9 GLU QB 1 29 LEU H . . 5.000 12.222 11.268 13.628 8.628 5 25 [****+*************-******] 1
1387 1 9 GLU QG 1 29 LEU H . . 5.000 13.093 10.535 14.589 9.589 22 25 [************-********+***] 1
1388 1 10 CYS QB 1 29 LEU H . . 5.000 7.565 6.414 8.492 3.492 5 25 [****+************-*******] 1
1389 1 11 ASN QB 1 29 LEU H . . 5.000 8.797 7.351 9.568 4.568 10 25 [*********+-**************] 1
1390 1 12 SER QB 1 29 LEU H . . 5.000 12.676 12.206 13.120 8.120 10 25 [*********+*******-*******] 1
1391 1 14 CYS HA 1 29 LEU H . . 5.000 9.887 9.192 10.357 5.357 22 25 [********************-+***] 1
1392 1 14 CYS QB 1 29 LEU H . . 5.000 6.820 6.499 7.316 2.316 15 25 [**************+**-*******] 1
1393 1 15 THR MG 1 29 LEU H . . 5.000 11.421 11.027 12.099 7.099 15 25 [**************+*****-****] 1
1394 1 17 ILE QG 1 29 LEU H . . 5.000 9.156 8.075 10.237 5.237 22 25 [**********-**********+***] 1
1395 1 18 PRO QB 1 29 LEU H . . 5.000 14.967 14.634 15.461 10.461 23 25 [**********-***********+**] 1
1396 1 18 PRO QD 1 29 LEU H . . 5.000 12.958 12.433 13.272 8.272 15 25 [**********-***+**********] 1
1397 1 19 ASP QB 1 29 LEU H . . 5.000 11.068 10.574 11.732 6.732 10 25 [**-******+***************] 1
1398 1 21 ALA H 1 29 LEU H . . 5.000 11.786 11.416 12.298 7.298 21 25 [********************+-***] 1
1399 1 23 MET QB 1 29 LEU H . . 5.000 8.364 7.704 8.703 3.703 6 25 [*****+*****************-*] 1
1400 1 23 MET QG 1 29 LEU H . . 5.000 7.539 7.264 8.220 3.220 24 25 [*****************-*****+*] 1
1401 1 24 ARG QG 1 29 LEU H . . 5.000 6.857 6.183 7.908 2.908 18 25 [*-***************+*******] 1
1402 1 24 ARG QD 1 29 LEU H . . 5.000 7.595 5.841 8.814 3.814 21 25 [**********-*********+****] 1
1403 1 27 ILE QG 1 29 LEU H . . 5.000 5.523 5.309 5.924 0.924 22 11 "[ ** ** ** * * 2*+- .]" 1
1404 1 27 ILE MD 1 29 LEU H . . 5.000 6.529 6.347 6.827 1.827 22 25 [*********************+*-*] 1
1405 1 29 LEU H 1 34 CYS HA . . 5.000 10.263 9.938 10.667 5.667 5 25 [****+******-*************] 1
1406 1 29 LEU H 1 36 THR MG . . 5.000 10.315 9.603 11.325 6.325 22 25 [****************-****+***] 1
1407 1 29 LEU H 1 38 ARG QD . . 5.000 14.956 13.433 17.110 12.110 23 25 [***************-******+**] 1
1408 1 7 LEU QD 1 29 LEU QB . . 5.000 6.935 6.126 8.042 3.042 11 25 [**********+**********-***] 1
1409 1 14 CYS HA 1 29 LEU QB . . 5.000 9.716 8.919 10.033 5.033 17 25 [****************+***-****] 1
1410 1 19 ASP HA 1 29 LEU QB . . 5.000 13.320 12.894 14.064 9.064 23 25 [*****************-****+**] 1
1411 1 29 LEU QB 1 34 CYS HA . . 5.000 8.912 8.646 9.325 4.325 14 25 [**-**********+***********] 1
1412 1 2 ARG H 1 30 CYS H . . 5.000 16.780 15.651 18.408 13.408 23 25 [**********************+*-] 1
1413 1 4 GLN QB 1 30 CYS H . . 5.000 13.387 12.701 14.170 9.170 23 25 [*****-****************+**] 1
1414 1 4 GLN QG 1 30 CYS H . . 5.000 13.512 12.378 14.843 9.843 23 25 [*****-****************+**] 1
1415 1 6 CYS QB 1 30 CYS H . . 5.000 9.158 7.955 10.452 5.452 11 25 [**********+*******-******] 1
1416 1 7 LEU QB 1 30 CYS H . . 5.000 8.177 7.540 9.056 4.056 12 25 [*****-*****+*************] 1
1417 1 9 GLU QB 1 30 CYS H . . 5.000 10.491 9.611 11.665 6.665 5 25 [****+*************-******] 1
1418 1 9 GLU QG 1 30 CYS H . . 5.000 11.387 8.960 12.621 7.621 17 25 [************-***+********] 1
1419 1 11 ASN H 1 30 CYS H . . 5.000 8.028 7.171 8.495 3.495 12 25 [**********-+*************] 1
1420 1 14 CYS HA 1 30 CYS H . . 5.000 9.141 7.964 9.499 4.499 22 25 [********************-+***] 1
1421 1 16 TYR QE 1 30 CYS H . . 5.000 15.564 10.129 16.321 11.321 16 25 [**************-+*********] 1
1422 1 17 ILE MG 1 30 CYS H . . 5.000 9.564 8.947 9.981 4.981 23 25 [**********-***********+**] 1
1423 1 17 ILE QG 1 30 CYS H . . 5.000 9.164 7.940 10.104 5.104 22 25 [**********-**********+***] 1
1424 1 18 PRO QB 1 30 CYS H . . 5.000 15.461 14.844 15.796 10.796 25 25 [********************-***+] 1
1425 1 19 ASP HA 1 30 CYS H . . 5.000 15.119 14.835 15.430 10.430 6 25 [*****+****-**************] 1
1426 1 20 TYR H 1 30 CYS H . . 5.000 14.650 14.484 14.900 9.900 19 25 [******************+-*****] 1
1427 1 20 TYR QE 1 30 CYS H . . 5.000 14.864 12.336 15.866 10.866 3 25 [**+************-*********] 1
1428 1 21 ALA H 1 30 CYS H . . 5.000 13.340 13.164 13.638 8.638 21 25 [********-***********+****] 1
1429 1 23 MET QB 1 30 CYS H . . 5.000 9.069 8.514 9.306 4.306 6 25 [*****+*****************-*] 1
1430 1 23 MET QG 1 30 CYS H . . 5.000 7.875 7.446 8.642 3.642 24 25 [********************-**+*] 1
1431 1 30 CYS H 1 32 PRO QB . . 5.000 5.511 5.429 5.727 0.727 14 10 "[ *- * **+.* *2 **.]" 1
1432 1 30 CYS H 1 32 PRO QG . . 5.000 4.737 4.661 4.968 . 0 0 "[ . 1 . 2 .]" 1
1433 1 30 CYS QB 1 32 PRO QB . . 5.000 6.263 6.146 6.520 1.520 14 25 [**********-**+***********] 1
1434 1 2 ARG QG 1 31 ALA H . . 5.000 12.662 10.118 14.910 9.910 11 25 [**********+*************-] 1
1435 1 3 TYR QD 1 31 ALA H . . 5.000 8.052 7.130 10.329 5.329 23 25 [*******-**************+**] 1
1436 1 3 TYR QE 1 31 ALA H . . 5.000 6.714 5.483 9.429 4.429 23 24 "[******* **********-***+**]" 1
1437 1 4 GLN QG 1 31 ALA H . . 5.000 11.307 10.126 12.524 7.524 23 25 [*****-****************+**] 1
1438 1 4 GLN QE 1 31 ALA H . . 5.000 11.286 8.970 13.689 8.689 10 25 [********-+***************] 1
1439 1 5 ASP QB 1 31 ALA H . . 5.000 11.365 10.702 12.319 7.319 23 25 [**********************+*-] 1
1440 1 6 CYS QB 1 31 ALA H . . 5.000 7.317 6.178 8.690 3.690 23 25 [******************-***+**] 1
1441 1 7 LEU QB 1 31 ALA H . . 5.000 6.195 5.531 7.103 2.103 12 25 [*****-*****+*************] 1
1442 1 7 LEU HG 1 31 ALA H . . 5.000 5.430 4.914 7.162 2.162 14 9 "[ * . *- * +.* * 2 **]" 1
1443 1 9 GLU QG 1 31 ALA H . . 5.000 10.633 8.328 11.938 6.938 22 25 [************-********+***] 1
1444 1 11 ASN QB 1 31 ALA H . . 5.000 7.260 5.301 8.294 3.294 12 23 "[********** +****-***** **]" 1
1445 1 13 ARG QB 1 31 ALA H . . 5.000 9.212 8.443 10.508 5.508 15 25 [***********-**+**********] 1
1446 1 13 ARG HE 1 31 ALA H . . 5.000 12.548 9.938 13.999 8.999 11 25 [**********+*********-****] 1
1447 1 14 CYS HA 1 31 ALA H . . 5.000 10.599 9.289 11.129 6.129 19 25 [******************+*-****] 1
1448 1 15 THR H 1 31 ALA H . . 5.000 10.993 9.783 11.560 6.560 19 25 [******************+*-****] 1
1449 1 15 THR MG 1 31 ALA H . . 5.000 11.362 10.350 11.918 6.918 15 25 [**************+*****-****] 1
1450 1 16 TYR QE 1 31 ALA H . . 5.000 16.874 11.716 17.798 12.798 16 25 [**************-+*********] 1
1451 1 17 ILE HB 1 31 ALA H . . 5.000 12.469 11.685 13.058 8.058 6 25 [*****+**************-****] 1
1452 1 17 ILE QG 1 31 ALA H . . 5.000 10.978 9.806 12.001 7.001 22 25 [**********-**********+***] 1
1453 1 19 ASP H 1 31 ALA H . . 5.000 15.909 15.183 16.702 11.702 6 25 [*****+**********-********] 1
1454 1 19 ASP HA 1 31 ALA H . . 5.000 17.189 16.809 17.730 12.730 6 25 [*****+****************-**] 1
1455 1 19 ASP QB 1 31 ALA H . . 5.000 14.109 13.747 15.015 10.015 10 25 [*********+-**************] 1
1456 1 20 TYR QD 1 31 ALA H . . 5.000 14.702 13.583 15.534 10.534 3 25 [**+************-*********] 1
1457 1 20 TYR QE 1 31 ALA H . . 5.000 16.099 13.282 17.406 12.406 3 25 [**+************-*********] 1
1458 1 23 MET QG 1 31 ALA H . . 5.000 9.192 8.366 10.105 5.105 24 25 [**********************-+*] 1
1459 1 23 MET ME 1 31 ALA H . . 5.000 11.393 10.755 11.884 6.884 6 25 [*****+****************-**] 1
1460 1 24 ARG QB 1 31 ALA H . . 5.000 9.625 9.247 10.032 5.032 21 25 [*******-************+****] 1
1461 1 24 ARG QG 1 31 ALA H . . 5.000 9.188 8.503 10.694 5.694 18 25 [*****************+****-**] 1
1462 1 24 ARG HE 1 31 ALA H . . 5.000 12.536 10.854 13.877 8.877 17 25 [***-************+********] 1
1463 1 26 CYS H 1 31 ALA H . . 5.000 8.260 7.818 8.541 3.541 5 25 [****+******-*************] 1
1464 1 27 ILE QG 1 31 ALA H . . 5.000 6.295 5.620 6.746 1.746 18 25 [*****************+****-**] 1
1465 1 29 LEU QB 1 31 ALA H . . 5.000 5.022 4.675 5.151 0.151 11 0 "[ . 1 . 2 .]" 1
1466 1 31 ALA H 1 34 CYS HA . . 5.000 7.117 6.897 7.569 2.569 23 25 [*******-**************+**] 1
1467 1 31 ALA H 1 36 THR MG . . 5.000 8.760 8.028 9.921 4.921 11 25 [**********+********-*****] 1
1468 1 31 ALA H 1 38 ARG QD . . 5.000 11.656 9.843 14.034 9.034 23 25 [**************-*******+**] 1
1469 1 31 ALA H 1 38 ARG HE . . 5.000 13.848 10.538 16.366 11.366 7 25 [-*****+******************] 1
1470 1 7 LEU QD 1 32 PRO QB . . 5.000 6.086 5.586 7.204 2.204 8 25 [*******+***********-*****] 1
1471 1 2 ARG QG 1 32 PRO QB . . 5.000 12.778 10.670 14.849 9.849 23 25 [*****************-****+**] 1
1472 1 7 LEU QB 1 32 PRO QB . . 5.000 8.923 8.511 9.651 4.651 19 25 [******************+***-**] 1
1473 1 13 ARG QG 1 32 PRO QB . . 5.000 12.879 10.122 14.324 9.324 22 25 [********************-+***] 1
1474 1 14 CYS HA 1 32 PRO QB . . 5.000 13.626 12.285 13.914 8.914 25 25 [********************-***+] 1
1475 1 17 ILE HB 1 32 PRO QB . . 5.000 14.849 14.213 15.188 10.188 23 25 [********************-*+**] 1
1476 1 17 ILE QG 1 32 PRO QB . . 5.000 13.020 11.813 13.740 8.740 22 25 [**********-**********+***] 1
1477 1 19 ASP HA 1 32 PRO QB . . 5.000 18.272 17.966 18.630 13.630 23 25 [*****************-****+**] 1
1478 1 21 ALA MB 1 32 PRO QB . . 5.000 12.573 11.992 13.230 8.230 23 25 [**-*******************+**] 1
1479 1 24 ARG QB 1 32 PRO QB . . 5.000 10.573 10.045 11.276 6.276 21 25 [*******-************+****] 1
1480 1 24 ARG QG 1 32 PRO QB . . 5.000 10.420 9.630 11.824 6.824 18 25 [*****************+******-] 1
1481 1 25 ALA MB 1 32 PRO QB . . 5.000 8.075 7.664 8.592 3.592 23 25 [*****************-****+**] 1
1482 1 27 ILE QG 1 32 PRO QB . . 5.000 9.513 9.201 9.795 4.795 22 25 [****************-****+***] 1
1483 1 27 ILE MD 1 32 PRO QB . . 5.000 10.034 9.650 10.348 5.348 22 25 [*********************+-**] 1
1484 1 32 PRO QB 1 34 CYS HA . . 5.000 6.874 6.794 6.945 1.945 5 25 [****+**************-*****] 1
1485 1 32 PRO QB 1 35 LEU QD . . 5.000 4.509 3.272 5.759 0.759 9 2 "[ . +1 . 2 -]" 1
1486 1 9 GLU QG 1 32 PRO QD . . 5.000 11.250 9.123 12.476 7.476 22 25 [************-********+***] 1
1487 1 1 ASP QB 1 33 ALA H . . 5.000 14.409 13.072 16.015 11.015 10 25 [*****-***+***************] 1
1488 1 2 ARG QD 1 33 ALA H . . 5.000 13.121 11.108 14.826 9.826 20 25 [******************-+*****] 1
1489 1 3 TYR QB 1 33 ALA H . . 5.000 10.545 9.820 11.718 6.718 21 25 [*******-************+****] 1
1490 1 4 GLN QG 1 33 ALA H . . 5.000 13.381 12.299 14.065 9.065 21 25 [*****-**************+****] 1
1491 1 5 ASP QB 1 33 ALA H . . 5.000 12.825 12.326 13.369 8.369 23 25 [*************-********+**] 1
1492 1 6 CYS QB 1 33 ALA H . . 5.000 8.372 7.849 9.024 4.024 23 25 [******************-***+**] 1
1493 1 7 LEU QB 1 33 ALA H . . 5.000 8.917 8.244 9.698 4.698 12 25 [***********+*********-***] 1
1494 1 7 LEU HG 1 33 ALA H . . 5.000 8.679 7.196 10.178 5.178 9 25 [********+*************-**] 1
1495 1 7 LEU QD 1 33 ALA H . . 5.000 6.098 5.156 7.636 2.636 8 21 "[* *****+*1*****-***2* ***]" 1
1496 1 9 GLU QG 1 33 ALA H . . 5.000 12.743 10.441 14.089 9.089 2 25 [*+**********-************] 1
1497 1 10 CYS QB 1 33 ALA H . . 5.000 7.705 6.505 8.010 3.010 2 25 [*+******************-****] 1
1498 1 11 ASN QB 1 33 ALA H . . 5.000 10.906 8.962 11.851 6.851 12 25 [**********-+*************] 1
1499 1 14 CYS HA 1 33 ALA H . . 5.000 13.310 11.527 13.788 8.788 25 25 [********************-***+] 1
1500 1 15 THR MG 1 33 ALA H . . 5.000 14.375 13.123 15.030 10.030 15 25 [**************+*****-****] 1
1501 1 17 ILE MG 1 33 ALA H . . 5.000 13.468 12.644 14.065 9.065 23 25 [**********-***********+**] 1
1502 1 17 ILE QG 1 33 ALA H . . 5.000 13.189 11.677 14.075 9.075 24 25 [**********-************+*] 1
1503 1 18 PRO QD 1 33 ALA H . . 5.000 17.324 16.193 17.854 12.854 24 25 [**********-************+*] 1
1504 1 19 ASP HA 1 33 ALA H . . 5.000 19.829 19.368 20.217 15.217 23 25 [**********-***********+**] 1
1505 1 19 ASP QB 1 33 ALA H . . 5.000 16.127 15.420 17.027 12.027 10 25 [*********+-**************] 1
1506 1 21 ALA H 1 33 ALA H . . 5.000 17.823 17.514 18.281 13.281 21 25 [********************+-***] 1
1507 1 23 MET QG 1 33 ALA H . . 5.000 12.272 11.767 13.147 8.147 24 25 [********************-**+*] 1
1508 1 24 ARG QG 1 33 ALA H . . 5.000 11.956 11.280 13.291 8.291 18 25 [*****************+******-] 1
1509 1 24 ARG QD 1 33 ALA H . . 5.000 12.604 10.795 14.001 9.001 3 25 [**+*********-************] 1
1510 1 26 CYS QB 1 33 ALA H . . 5.000 9.355 9.141 9.639 4.639 14 25 [*************+***-*******] 1
1511 1 27 ILE QG 1 33 ALA H . . 5.000 9.487 9.100 9.788 4.788 19 25 [****************-*+******] 1
1512 1 27 ILE MD 1 33 ALA H . . 5.000 10.347 9.896 10.641 5.641 18 25 [*****************+****-**] 1
1513 1 33 ALA H 1 36 THR MG . . 5.000 5.520 4.857 6.516 1.516 11 10 "[** . *- 1+ . * 2** **]" 1
1514 1 33 ALA H 1 38 ARG QD . . 5.000 10.351 9.240 11.967 6.967 23 25 [**************-*******+**] 1
1515 1 2 ARG HE 1 34 CYS H . . 5.000 12.969 9.361 15.391 10.391 21 25 [********************+***-] 1
1516 1 4 GLN QE 1 34 CYS H . . 5.000 12.547 10.713 14.289 9.289 10 25 [********-+***************] 1
1517 1 13 ARG HE 1 34 CYS H . . 5.000 12.884 9.036 15.025 10.025 9 25 [********+***********-****] 1
1518 1 16 TYR QE 1 34 CYS H . . 5.000 18.893 13.657 19.932 14.932 16 25 [**************-+*********] 1
1519 1 17 ILE QG 1 34 CYS H . . 5.000 13.441 12.007 14.337 9.337 24 25 [**********-************+*] 1
1520 1 20 TYR QD 1 34 CYS H . . 5.000 18.533 17.391 19.155 14.155 11 25 [**********+****-*********] 1
1521 1 20 TYR QE 1 34 CYS H . . 5.000 19.932 17.256 21.014 16.014 3 25 [**+************-*********] 1
1522 1 24 ARG QB 1 34 CYS H . . 5.000 13.370 12.937 13.823 8.823 11 25 [**-*******+**************] 1
1523 1 26 CYS QB 1 34 CYS H . . 5.000 10.092 9.859 10.386 5.386 19 25 [******************+**-***] 1
1524 1 27 ILE QG 1 34 CYS H . . 5.000 9.635 9.238 10.003 5.003 19 25 [****************-*+******] 1
1525 1 9 GLU QG 1 34 CYS QB . . 5.000 8.060 6.023 9.352 4.352 2 25 [*+****-******************] 1
1526 1 32 PRO QB 1 34 CYS QB . . 5.000 5.767 5.657 6.005 1.005 23 25 [*****-****************+**] 1
1527 1 2 ARG QB 1 34 CYS QB . . 5.000 6.891 6.131 7.821 2.821 21 25 [********-***********+****] 1
1528 1 4 GLN QB 1 34 CYS QB . . 5.000 8.911 8.415 9.465 4.465 12 25 [***********+*********-***] 1
1529 1 4 GLN QG 1 34 CYS QB . . 5.000 9.217 8.218 9.963 4.963 21 25 [*****-**************+****] 1
1530 1 9 GLU QB 1 34 CYS QB . . 5.000 7.229 5.574 8.217 3.217 6 25 [*****+**************-****] 1
1531 1 13 ARG QB 1 34 CYS QB . . 5.000 8.214 7.169 9.052 4.052 15 25 [**************+*****-****] 1
1532 1 18 PRO QB 1 34 CYS QB . . 5.000 17.860 16.786 18.267 13.267 10 25 [*********+**********-****] 1
1533 1 18 PRO QG 1 34 CYS QB . . 5.000 17.277 16.201 17.748 12.748 10 25 [*********+**********-****] 1
1534 1 23 MET QB 1 34 CYS QB . . 5.000 12.641 12.038 12.885 7.885 19 25 [******************+****-*] 1
1535 1 23 MET ME 1 34 CYS QB . . 5.000 12.926 12.349 13.204 8.204 24 25 [********************-**+*] 1
1536 1 32 PRO QG 1 34 CYS QB . . 5.000 6.200 6.046 6.529 1.529 23 25 [*******-**************+**] 1
1537 1 2 ARG H 1 35 LEU H . . 5.000 11.423 10.185 12.917 7.917 23 25 [********-*************+**] 1
1538 1 2 ARG HE 1 35 LEU H . . 5.000 11.707 8.375 14.549 9.549 11 25 [**********+******-*******] 1
1539 1 4 GLN QG 1 35 LEU H . . 5.000 11.010 9.796 12.014 7.014 19 25 [*****-************+******] 1
1540 1 5 ASP QB 1 35 LEU H . . 5.000 10.367 9.551 11.172 6.172 5 25 [****+******-*************] 1
1541 1 7 LEU QB 1 35 LEU H . . 5.000 7.578 6.157 8.788 3.788 19 25 [******************+***-**] 1
1542 1 7 LEU QD 1 35 LEU H . . 5.000 5.329 3.869 7.157 2.157 8 12 "[* **.-*+*1 ** * * 2 *]" 1
1543 1 9 GLU QG 1 35 LEU H . . 5.000 11.812 9.610 13.249 8.249 2 25 [*+****-******************] 1
1544 1 16 TYR QE 1 35 LEU H . . 5.000 20.859 15.788 21.945 16.945 19 25 [**************-***+******] 1
1545 1 17 ILE QG 1 35 LEU H . . 5.000 15.518 14.215 16.426 11.426 24 25 [**********-************+*] 1
1546 1 19 ASP QB 1 35 LEU H . . 5.000 19.061 18.553 20.094 15.094 10 25 [*********+-**************] 1
1547 1 20 TYR H 1 35 LEU H . . 5.000 22.414 21.918 22.753 17.753 6 25 [*****+****************-**] 1
1548 1 20 TYR QD 1 35 LEU H . . 5.000 20.030 18.843 20.863 15.863 11 25 [**********+****-*********] 1
1549 1 20 TYR QE 1 35 LEU H . . 5.000 21.384 18.492 22.713 17.713 3 25 [**+************-*********] 1
1550 1 26 CYS QB 1 35 LEU H . . 5.000 12.133 11.987 12.428 7.428 19 25 [******************+**-***] 1
1551 1 27 ILE QG 1 35 LEU H . . 5.000 11.299 10.653 11.746 6.746 18 25 [*****************+****-**] 1
1552 1 30 CYS QB 1 35 LEU H . . 5.000 7.030 6.806 7.241 2.241 7 25 [******+*****************-] 1
1553 1 7 LEU QD 1 35 LEU QB . . 5.000 4.981 3.464 6.158 1.158 8 5 "[ *. + 1 - * 2 *]" 1
1554 1 3 TYR QB 1 36 THR H . . 5.000 8.857 7.891 10.063 5.063 21 25 [*************-******+****] 1
1555 1 4 GLN QB 1 36 THR H . . 5.000 12.964 12.310 13.620 8.620 10 25 [*******-*+***************] 1
1556 1 4 GLN QG 1 36 THR H . . 5.000 12.829 11.699 14.035 9.035 19 25 [*****-************+******] 1
1557 1 7 LEU QD 1 36 THR H . . 5.000 7.178 5.863 8.806 3.806 8 25 [*******+**-**************] 1
1558 1 9 GLU QB 1 36 THR H . . 5.000 12.959 10.917 13.981 8.981 5 25 [****+***************-****] 1
1559 1 9 GLU QG 1 36 THR H . . 5.000 13.848 11.547 15.319 10.319 4 25 [***+**-******************] 1
1560 1 10 CYS QB 1 36 THR H . . 5.000 9.833 8.188 10.494 5.494 4 25 [***+****************-****] 1
1561 1 11 ASN QB 1 36 THR H . . 5.000 13.442 11.863 14.728 9.728 18 25 [*****************+****-**] 1
1562 1 11 ASN QD 1 36 THR H . . 5.000 13.586 11.386 16.736 11.736 19 25 [**************-***+******] 1
1563 1 13 ARG QB 1 36 THR H . . 5.000 14.086 12.874 15.019 10.019 15 25 [**************+*****-****] 1
1564 1 13 ARG HE 1 36 THR H . . 5.000 16.746 12.639 19.060 14.060 9 25 [********+***********-****] 1
1565 1 16 TYR QD 1 36 THR H . . 5.000 20.795 18.303 21.638 16.638 25 25 [**************-*********+] 1
1566 1 17 ILE QG 1 36 THR H . . 5.000 17.076 15.719 18.091 13.091 4 25 [***+******-**************] 1
1567 1 18 PRO QB 1 36 THR H . . 5.000 23.701 22.630 24.188 19.188 23 25 [********************-*+**] 1
1568 1 18 PRO QG 1 36 THR H . . 5.000 22.937 21.790 23.522 18.522 4 25 [***+****************-****] 1
1569 1 19 ASP QB 1 36 THR H . . 5.000 20.353 19.691 21.443 16.443 10 25 [*-*******+***************] 1
1570 1 20 TYR QD 1 36 THR H . . 5.000 21.554 20.258 22.400 17.400 11 25 [**********+****-*********] 1
1571 1 21 ALA H 1 36 THR H . . 5.000 22.520 22.139 22.994 17.994 21 25 [*******-************+****] 1
1572 1 23 MET QB 1 36 THR H . . 5.000 17.441 16.633 17.661 12.661 14 25 [*************+*********-*] 1
1573 1 32 PRO QB 1 36 THR H . . 5.000 4.914 4.832 4.987 . 0 0 "[ . 1 . 2 .]" 1
1574 1 32 PRO QG 1 36 THR H . . 5.000 6.415 6.370 6.485 1.485 10 25 [*******-*+***************] 1
1575 1 2 ARG H 1 37 SER H . . 5.000 12.704 11.859 13.651 8.651 21 25 [********-***********+****] 1
1576 1 4 GLN QG 1 37 SER H . . 5.000 13.624 12.040 14.776 9.776 19 25 [******************+***-**] 1
1577 1 5 ASP QB 1 37 SER H . . 5.000 11.937 11.057 12.435 7.435 20 25 [*************-*****+*****] 1
1578 1 6 CYS QB 1 37 SER H . . 5.000 7.883 7.372 8.180 3.180 19 25 [******************+*-****] 1
1579 1 7 LEU QD 1 37 SER H . . 5.000 8.067 6.344 9.932 4.932 8 25 [*******+**-**************] 1
1580 1 9 GLU QG 1 37 SER H . . 5.000 13.390 11.101 14.806 9.806 2 25 [*+**-********************] 1
1581 1 13 ARG HE 1 37 SER H . . 5.000 15.881 11.625 18.513 13.513 9 25 [********+***********-****] 1
1582 1 14 CYS HA 1 37 SER H . . 5.000 17.142 14.984 17.802 12.802 25 25 [********************-***+] 1
1583 1 16 TYR QD 1 37 SER H . . 5.000 20.600 18.139 21.433 16.433 25 25 [**************-*********+] 1
1584 1 16 TYR QE 1 37 SER H . . 5.000 22.354 17.087 23.431 18.431 25 25 [**************-*********+] 1
1585 1 19 ASP QB 1 37 SER H . . 5.000 20.845 20.030 21.980 16.980 10 25 [*********+-**************] 1
1586 1 20 TYR H 1 37 SER H . . 5.000 24.881 24.492 25.241 20.241 14 25 [*************+*****-*****] 1
1587 1 20 TYR QD 1 37 SER H . . 5.000 22.548 21.352 23.130 18.130 11 25 [**********+****-*********] 1
1588 1 20 TYR QE 1 37 SER H . . 5.000 23.950 21.246 25.018 20.018 3 25 [**+************-*********] 1
1589 1 26 CYS QB 1 37 SER H . . 5.000 13.833 13.427 14.345 9.345 14 25 [*****-*******+***********] 1
1590 1 32 PRO QB 1 37 SER H . . 5.000 6.581 6.466 6.675 1.675 25 25 [**********************-*+] 1
1591 1 7 LEU QD 1 37 SER QB . . 5.000 7.963 6.155 9.668 4.668 8 25 [*******+**-**************] 1
1592 1 32 PRO QB 1 37 SER QB . . 5.000 7.055 6.753 7.341 2.341 6 25 [*****+****************-**] 1
1593 1 35 LEU QD 1 37 SER QB . . 5.000 5.990 5.425 6.543 1.543 12 24 "[***********+*-* *********]" 1
1594 1 2 ARG H 1 38 ARG H . . 5.000 10.742 10.029 11.735 6.735 21 25 [********-***********+****] 1
1595 1 4 GLN QB 1 38 ARG H . . 5.000 12.279 10.993 13.009 8.009 24 25 [**********************-+*] 1
1596 1 4 GLN QG 1 38 ARG H . . 5.000 12.541 10.404 13.767 8.767 19 25 [******************+***-**] 1
1597 1 5 ASP QB 1 38 ARG H . . 5.000 10.523 9.461 10.973 5.973 20 25 [*************-*****+*****] 1
1598 1 6 CYS QB 1 38 ARG H . . 5.000 6.853 6.194 7.330 2.330 19 25 [******************+*-****] 1
1599 1 7 LEU QB 1 38 ARG H . . 5.000 10.130 7.957 11.364 6.364 19 25 [******************+***-**] 1
1600 1 9 GLU QB 1 38 ARG H . . 5.000 11.865 9.760 12.744 7.744 13 25 [************+*******-****] 1
1601 1 9 GLU QG 1 38 ARG H . . 5.000 12.651 10.607 14.019 9.019 2 25 [*+****-******************] 1
1602 1 11 ASN H 1 38 ARG H . . 5.000 13.816 12.387 14.590 9.590 19 25 [******************+*-****] 1
1603 1 14 CYS HA 1 38 ARG H . . 5.000 17.729 15.801 18.383 13.383 19 25 [******************+*-****] 1
1604 1 16 TYR QE 1 38 ARG H . . 5.000 22.716 17.822 23.802 18.802 16 25 [**************-+*********] 1
1605 1 17 ILE QG 1 38 ARG H . . 5.000 17.990 16.785 18.783 13.783 9 25 [********+*-**************] 1
1606 1 18 PRO QB 1 38 ARG H . . 5.000 24.801 23.605 25.229 20.229 23 25 [********************-*+**] 1
1607 1 19 ASP HA 1 38 ARG H . . 5.000 26.370 25.888 26.854 21.854 10 25 [*-*******+***************] 1
1608 1 19 ASP QB 1 38 ARG H . . 5.000 22.006 21.235 23.242 18.242 10 25 [*-*******+***************] 1
1609 1 20 TYR H 1 38 ARG H . . 5.000 26.073 25.773 26.409 21.409 5 25 [*-**+********************] 1
1610 1 20 TYR QE 1 38 ARG H . . 5.000 24.862 22.244 26.011 21.011 3 25 [**+************-*********] 1
1611 1 21 ALA H 1 38 ARG H . . 5.000 24.859 24.510 25.436 20.436 11 25 [**********+************-*] 1
1612 1 23 MET QB 1 38 ARG H . . 5.000 18.990 18.286 19.231 14.231 5 25 [****+******************-*] 1
1613 1 23 MET QG 1 38 ARG H . . 5.000 17.498 17.010 18.202 13.202 24 25 [********************-**+*] 1
1614 1 27 ILE MD 1 38 ARG H . . 5.000 14.799 14.216 15.269 10.269 18 25 [*****************+****-**] 1
1615 1 32 PRO QB 1 38 ARG H . . 5.000 8.105 7.985 8.202 3.202 9 25 [*******-+****************] 1
1616 1 32 PRO QG 1 38 ARG H . . 5.000 9.466 9.354 9.547 4.547 9 25 [***-****+****************] 1
1617 1 35 LEU QD 1 38 ARG H . . 5.000 4.800 4.070 5.334 0.334 5 0 "[ . 1 . 2 .]" 1
1618 1 27 ILE QG 1 38 ARG QD . . 5.000 14.582 12.545 16.670 11.670 23 25 [-*********************+**] 1
1619 1 5 ASP QB 1 38 ARG HE . . 5.000 9.525 4.899 12.811 7.811 19 24 "[****************-*+* ****]" 1
1620 1 11 ASN QB 1 38 ARG HE . . 5.000 15.678 10.819 19.193 14.193 19 25 [******************+*-****] 1
1621 1 13 ARG QB 1 38 ARG HE . . 5.000 15.190 10.643 18.605 13.605 19 25 [******************+*-****] 1
1622 1 17 ILE MG 1 38 ARG HE . . 5.000 21.322 17.411 23.987 18.987 7 25 [-*****+******************] 1
1623 1 17 ILE QG 1 38 ARG HE . . 5.000 20.650 16.065 23.975 18.975 8 25 [-******+*****************] 1
1624 1 18 PRO QG 1 38 ARG HE . . 5.000 26.648 22.252 29.902 24.902 19 25 [-*****************+******] 1
1625 1 19 ASP QB 1 38 ARG HE . . 5.000 25.195 21.244 28.894 23.894 7 25 [-*****+******************] 1
1626 1 23 MET QG 1 38 ARG HE . . 5.000 20.180 16.576 23.285 18.285 19 25 [-*****************+******] 1
1627 1 23 MET ME 1 38 ARG HE . . 5.000 21.466 17.942 24.517 19.517 19 25 [******************+*-****] 1
1628 1 24 ARG QB 1 38 ARG HE . . 5.000 21.751 18.703 24.138 19.138 7 25 [-*****+******************] 1
1629 1 27 ILE QG 1 38 ARG HE . . 5.000 17.034 13.194 20.120 15.120 19 25 [-*****************+******] 1
1630 1 29 LEU QB 1 38 ARG HE . . 5.000 15.594 12.530 17.820 12.820 7 25 [-*****+******************] 1
1631 1 32 PRO QG 1 38 ARG HE . . 5.000 13.432 10.358 15.247 10.247 8 25 [*******+******-**********] 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 117
_Distance_constraint_stats_list.Viol_total 416.123
_Distance_constraint_stats_list.Viol_max 0.341
_Distance_constraint_stats_list.Viol_rms 0.0829
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0740
_Distance_constraint_stats_list.Viol_average_violations_only 0.1423
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 CYS 7.305 0.206 21 0 "[ . 1 . 2 .]"
1 10 CYS 3.196 0.235 23 0 "[ . 1 . 2 .]"
1 14 CYS 6.144 0.341 15 0 "[ . 1 . 2 .]"
1 26 CYS 6.144 0.341 15 0 "[ . 1 . 2 .]"
1 30 CYS 3.196 0.235 23 0 "[ . 1 . 2 .]"
1 34 CYS 7.305 0.206 21 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 CYS SG 1 34 CYS SG . . 2.000 2.037 1.927 2.116 0.116 4 0 "[ . 1 . 2 .]" 2
2 1 6 CYS SG 1 34 CYS CB . . 3.000 3.105 2.930 3.170 0.170 22 0 "[ . 1 . 2 .]" 2
3 1 6 CYS CB 1 34 CYS SG . . 3.000 3.136 3.103 3.206 0.206 21 0 "[ . 1 . 2 .]" 2
4 1 10 CYS SG 1 30 CYS SG . . 2.000 1.953 1.884 2.049 0.049 18 0 "[ . 1 . 2 .]" 2
5 1 10 CYS SG 1 30 CYS CB . . 3.000 3.012 2.882 3.224 0.224 19 0 "[ . 1 . 2 .]" 2
6 1 10 CYS CB 1 30 CYS SG . . 3.000 3.055 2.921 3.235 0.235 23 0 "[ . 1 . 2 .]" 2
7 1 14 CYS SG 1 26 CYS SG . . 2.000 2.009 1.906 2.142 0.142 19 0 "[ . 1 . 2 .]" 2
8 1 14 CYS SG 1 26 CYS CB . . 3.000 2.953 2.918 2.976 . 0 0 "[ . 1 . 2 .]" 2
9 1 14 CYS CB 1 26 CYS SG . . 3.000 3.215 3.165 3.341 0.341 15 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 52
_Distance_constraint_stats_list.Viol_count 1239
_Distance_constraint_stats_list.Viol_total 5616.663
_Distance_constraint_stats_list.Viol_max 0.489
_Distance_constraint_stats_list.Viol_rms 0.1070
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1728
_Distance_constraint_stats_list.Viol_average_violations_only 0.1813
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 11.101 0.307 8 0 "[ . 1 . 2 .]"
1 2 ARG 6.286 0.285 14 0 "[ . 1 . 2 .]"
1 3 TYR 12.476 0.376 23 0 "[ . 1 . 2 .]"
1 4 GLN 6.802 0.283 8 0 "[ . 1 . 2 .]"
1 5 ASP 22.232 0.330 6 0 "[ . 1 . 2 .]"
1 6 CYS 12.401 0.285 14 0 "[ . 1 . 2 .]"
1 7 LEU 17.354 0.376 23 0 "[ . 1 . 2 .]"
1 8 SER 19.194 0.358 19 0 "[ . 1 . 2 .]"
1 9 GLU 18.293 0.349 6 0 "[ . 1 . 2 .]"
1 10 CYS 11.551 0.376 21 0 "[ . 1 . 2 .]"
1 11 ASN 12.093 0.368 23 0 "[ . 1 . 2 .]"
1 12 SER 12.392 0.358 19 0 "[ . 1 . 2 .]"
1 13 ARG 7.162 0.349 6 0 "[ . 1 . 2 .]"
1 14 CYS 19.995 0.409 23 0 "[ . 1 . 2 .]"
1 15 THR 7.215 0.341 15 0 "[ . 1 . 2 .]"
1 17 ILE 14.559 0.409 23 0 "[ . 1 . 2 .]"
1 19 ASP 9.504 0.316 10 0 "[ . 1 . 2 .]"
1 20 TYR 6.076 0.300 11 0 "[ . 1 . 2 .]"
1 21 ALA 8.878 0.333 23 0 "[ . 1 . 2 .]"
1 22 GLY 9.156 0.271 8 0 "[ . 1 . 2 .]"
1 23 MET 14.477 0.316 10 0 "[ . 1 . 2 .]"
1 24 ARG 12.512 0.300 11 0 "[ . 1 . 2 .]"
1 25 ALA 18.456 0.333 23 0 "[ . 1 . 2 .]"
1 26 CYS 16.865 0.306 19 0 "[ . 1 . 2 .]"
1 27 ILE 4.973 0.268 6 0 "[ . 1 . 2 .]"
1 28 GLY 6.436 0.279 21 0 "[ . 1 . 2 .]"
1 29 LEU 26.636 0.489 14 0 "[ . 1 . 2 .]"
1 30 CYS 16.404 0.362 23 0 "[ . 1 . 2 .]"
1 31 ALA 3.097 0.217 10 0 "[ . 1 . 2 .]"
1 32 PRO 12.705 0.359 10 0 "[ . 1 . 2 .]"
1 33 ALA 25.331 0.489 14 0 "[ . 1 . 2 .]"
1 34 CYS 15.670 0.362 23 0 "[ . 1 . 2 .]"
1 35 LEU 3.097 0.217 10 0 "[ . 1 . 2 .]"
1 36 THR 12.705 0.359 10 0 "[ . 1 . 2 .]"
1 37 SER 8.274 0.255 10 0 "[ . 1 . 2 .]"
1 38 ARG 6.975 0.250 24 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASP O 1 5 ASP H . . 1.800 2.004 1.873 2.047 0.247 13 0 "[ . 1 . 2 .]" 3
2 1 1 ASP O 1 5 ASP N . . 2.700 2.940 2.829 3.007 0.307 8 0 "[ . 1 . 2 .]" 3
3 1 2 ARG O 1 6 CYS H . . 1.800 1.917 1.794 2.007 0.207 14 0 "[ . 1 . 2 .]" 3
4 1 2 ARG O 1 6 CYS N . . 2.700 2.834 2.719 2.985 0.285 14 0 "[ . 1 . 2 .]" 3
5 1 3 TYR O 1 7 LEU H . . 1.800 2.018 1.815 2.102 0.302 23 0 "[ . 1 . 2 .]" 3
6 1 3 TYR O 1 7 LEU N . . 2.700 2.981 2.791 3.076 0.376 23 0 "[ . 1 . 2 .]" 3
7 1 4 GLN O 1 8 SER H . . 1.800 1.929 1.819 2.042 0.242 8 0 "[ . 1 . 2 .]" 3
8 1 4 GLN O 1 8 SER N . . 2.700 2.843 2.745 2.983 0.283 8 0 "[ . 1 . 2 .]" 3
9 1 5 ASP O 1 9 GLU H . . 1.800 2.001 1.799 2.095 0.295 6 0 "[ . 1 . 2 .]" 3
10 1 5 ASP O 1 9 GLU N . . 2.700 2.944 2.738 3.030 0.330 6 0 "[ . 1 . 2 .]" 3
11 1 6 CYS O 1 10 CYS H . . 1.800 1.919 1.797 2.026 0.226 16 0 "[ . 1 . 2 .]" 3
12 1 6 CYS O 1 10 CYS N . . 2.700 2.825 2.714 2.969 0.269 16 0 "[ . 1 . 2 .]" 3
13 1 7 LEU O 1 11 ASN H . . 1.800 1.884 1.786 2.091 0.291 23 0 "[ . 1 . 2 .]" 3
14 1 7 LEU O 1 11 ASN N . . 2.700 2.809 2.687 3.068 0.368 23 0 "[ . 1 . 2 .]" 3
15 1 8 SER O 1 12 SER H . . 1.800 2.015 1.783 2.092 0.292 24 0 "[ . 1 . 2 .]" 3
16 1 8 SER O 1 12 SER N . . 2.700 2.980 2.718 3.058 0.358 19 0 "[ . 1 . 2 .]" 3
17 1 9 GLU O 1 13 ARG H . . 1.800 2.064 1.835 2.149 0.349 6 0 "[ . 1 . 2 .]" 3
18 1 9 GLU O 1 13 ARG N . . 2.700 2.721 2.690 2.819 0.119 6 0 "[ . 1 . 2 .]" 3
19 1 10 CYS O 1 14 CYS H . . 1.800 1.920 1.785 2.176 0.376 21 0 "[ . 1 . 2 .]" 3
20 1 10 CYS O 1 14 CYS N . . 2.700 2.797 2.699 2.979 0.279 17 0 "[ . 1 . 2 .]" 3
21 1 11 ASN O 1 15 THR H . . 1.800 2.076 1.982 2.141 0.341 15 0 "[ . 1 . 2 .]" 3
22 1 11 ASN O 1 15 THR N . . 2.700 2.709 2.674 2.776 0.076 21 0 "[ . 1 . 2 .]" 3
23 1 14 CYS O 1 17 ILE H . . 1.800 2.065 1.973 2.162 0.362 20 0 "[ . 1 . 2 .]" 3
24 1 14 CYS O 1 17 ILE N . . 2.700 3.017 2.917 3.109 0.409 23 0 "[ . 1 . 2 .]" 3
25 1 19 ASP O 1 23 MET H . . 1.800 1.987 1.809 2.097 0.297 23 0 "[ . 1 . 2 .]" 3
26 1 19 ASP O 1 23 MET N . . 2.700 2.893 2.748 3.016 0.316 10 0 "[ . 1 . 2 .]" 3
27 1 20 TYR O 1 24 ARG H . . 1.800 1.909 1.784 2.027 0.227 19 0 "[ . 1 . 2 .]" 3
28 1 20 TYR O 1 24 ARG N . . 2.700 2.831 2.691 3.000 0.300 11 0 "[ . 1 . 2 .]" 3
29 1 21 ALA O 1 25 ALA H . . 1.800 1.949 1.785 2.067 0.267 23 0 "[ . 1 . 2 .]" 3
30 1 21 ALA O 1 25 ALA N . . 2.700 2.905 2.727 3.033 0.333 23 0 "[ . 1 . 2 .]" 3
31 1 22 GLY O 1 26 CYS H . . 1.800 1.984 1.808 2.046 0.246 18 0 "[ . 1 . 2 .]" 3
32 1 22 GLY O 1 26 CYS N . . 2.700 2.882 2.732 2.971 0.271 8 0 "[ . 1 . 2 .]" 3
33 1 23 MET O 1 27 ILE H . . 1.800 1.871 1.783 2.027 0.227 10 0 "[ . 1 . 2 .]" 3
34 1 23 MET O 1 27 ILE N . . 2.700 2.824 2.677 2.968 0.268 6 0 "[ . 1 . 2 .]" 3
35 1 24 ARG O 1 28 GLY H . . 1.800 1.994 1.918 2.064 0.264 24 0 "[ . 1 . 2 .]" 3
36 1 24 ARG O 1 28 GLY N . . 2.700 2.763 2.695 2.979 0.279 21 0 "[ . 1 . 2 .]" 3
37 1 25 ALA O 1 29 LEU H . . 1.800 2.046 1.925 2.133 0.333 23 0 "[ . 1 . 2 .]" 3
38 1 25 ALA O 1 29 LEU N . . 2.700 2.837 2.705 3.013 0.313 21 0 "[ . 1 . 2 .]" 3
39 1 26 CYS O 1 30 CYS H . . 1.800 2.030 1.890 2.106 0.306 19 0 "[ . 1 . 2 .]" 3
40 1 26 CYS O 1 30 CYS N . . 2.700 2.778 2.698 2.933 0.233 19 0 "[ . 1 . 2 .]" 3
41 1 29 LEU O 1 33 ALA H . . 1.800 2.113 2.041 2.217 0.417 14 0 "[ . 1 . 2 .]" 3
42 1 29 LEU O 1 33 ALA N . . 2.700 3.069 2.997 3.189 0.489 14 0 "[ . 1 . 2 .]" 3
43 1 30 CYS O 1 34 CYS H . . 1.800 1.989 1.825 2.093 0.293 13 0 "[ . 1 . 2 .]" 3
44 1 30 CYS O 1 34 CYS N . . 2.700 2.859 2.712 3.062 0.362 23 0 "[ . 1 . 2 .]" 3
45 1 31 ALA O 1 35 LEU H . . 1.800 1.870 1.789 2.017 0.217 10 0 "[ . 1 . 2 .]" 3
46 1 31 ALA O 1 35 LEU N . . 2.700 2.752 2.696 2.897 0.197 11 0 "[ . 1 . 2 .]" 3
47 1 32 PRO O 1 36 THR H . . 1.800 2.036 2.005 2.093 0.293 6 0 "[ . 1 . 2 .]" 3
48 1 32 PRO O 1 36 THR N . . 2.700 2.972 2.871 3.059 0.359 10 0 "[ . 1 . 2 .]" 3
49 1 33 ALA O 1 37 SER H . . 1.800 2.001 1.934 2.055 0.255 10 0 "[ . 1 . 2 .]" 3
50 1 33 ALA O 1 37 SER N . . 2.700 2.830 2.747 2.904 0.204 20 0 "[ . 1 . 2 .]" 3
51 1 34 CYS O 1 38 ARG H . . 1.800 2.033 2.016 2.050 0.250 24 0 "[ . 1 . 2 .]" 3
52 1 34 CYS O 1 38 ARG N . . 2.700 2.746 2.728 2.829 0.129 6 0 "[ . 1 . 2 .]" 3
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