Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595472 | 2n5x RC | 25740 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n5x
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 914
_Distance_constraint_stats_list.Viol_count 592
_Distance_constraint_stats_list.Viol_total 287.093
_Distance_constraint_stats_list.Viol_max 0.405
_Distance_constraint_stats_list.Viol_rms 0.0185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0485
_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 3 MET 0.000 0.000 . 0 "[ . 1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 5 PRO 0.000 0.000 . 0 "[ . 1]"
1 6 GLY 0.000 0.000 . 0 "[ . 1]"
1 7 GLY 0.085 0.019 3 0 "[ . 1]"
1 8 LEU 0.210 0.070 3 0 "[ . 1]"
1 9 ASP 0.043 0.017 5 0 "[ . 1]"
1 10 PRO 0.184 0.038 2 0 "[ . 1]"
1 11 VAL 0.582 0.082 7 0 "[ . 1]"
1 12 GLU 0.000 0.000 . 0 "[ . 1]"
1 13 VAL 0.563 0.073 2 0 "[ . 1]"
1 14 TYR 2.162 0.082 7 0 "[ . 1]"
1 15 GLU 0.967 0.075 4 0 "[ . 1]"
1 16 SER 0.008 0.003 6 0 "[ . 1]"
1 17 LEU 1.668 0.075 4 0 "[ . 1]"
1 18 PRO 0.000 0.000 . 0 "[ . 1]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 GLU 0.000 0.000 10 0 "[ . 1]"
1 21 LEU 2.509 0.150 6 0 "[ . 1]"
1 22 GLN 0.481 0.065 4 0 "[ . 1]"
1 23 LYS 0.049 0.034 6 0 "[ . 1]"
1 24 CYS 2.877 0.156 2 0 "[ . 1]"
1 25 PHE 2.679 0.098 7 0 "[ . 1]"
1 26 ASP 0.050 0.029 3 0 "[ . 1]"
1 27 VAL 0.000 0.000 . 0 "[ . 1]"
1 28 LYS 0.274 0.256 7 0 "[ . 1]"
1 29 ASP 1.247 0.156 2 0 "[ . 1]"
1 30 VAL 1.075 0.324 7 0 "[ . 1]"
1 31 GLN 0.451 0.324 7 0 "[ . 1]"
1 32 MET 0.209 0.048 2 0 "[ . 1]"
1 33 LEU 1.570 0.098 7 0 "[ . 1]"
1 34 GLN 0.849 0.140 7 0 "[ . 1]"
1 35 ASP 0.112 0.033 6 0 "[ . 1]"
1 36 ALA 0.360 0.043 9 0 "[ . 1]"
1 37 ILE 1.953 0.142 1 0 "[ . 1]"
1 38 SER 0.097 0.033 6 0 "[ . 1]"
1 39 LYS 2.054 0.193 1 0 "[ . 1]"
1 40 MET 5.530 0.193 1 0 "[ . 1]"
1 41 ASP 3.152 0.162 6 0 "[ . 1]"
1 42 PRO 0.745 0.089 3 0 "[ . 1]"
1 43 THR 0.097 0.021 9 0 "[ . 1]"
1 44 ASP 0.299 0.053 9 0 "[ . 1]"
1 45 ALA 0.164 0.032 8 0 "[ . 1]"
1 46 LYS 0.908 0.089 3 0 "[ . 1]"
1 47 TYR 0.568 0.040 7 0 "[ . 1]"
1 48 HIS 1.837 0.112 10 0 "[ . 1]"
1 49 MET 0.338 0.089 9 0 "[ . 1]"
1 50 GLN 1.232 0.302 10 0 "[ . 1]"
1 51 ARG 1.484 0.190 9 0 "[ . 1]"
1 52 CYS 0.148 0.059 2 0 "[ . 1]"
1 53 ILE 0.477 0.089 9 0 "[ . 1]"
1 54 ASP 0.406 0.190 9 0 "[ . 1]"
1 55 SER 0.407 0.116 9 0 "[ . 1]"
1 56 GLY 0.350 0.132 8 0 "[ . 1]"
1 57 LEU 0.986 0.083 5 0 "[ . 1]"
1 58 TRP 3.869 0.366 5 0 "[ . 1]"
1 59 VAL 0.274 0.132 8 0 "[ . 1]"
1 60 PRO 0.350 0.073 8 0 "[ . 1]"
1 66 GLU 0.000 0.000 . 0 "[ . 1]"
1 68 LYS 0.000 0.000 . 0 "[ . 1]"
1 69 GLU 0.000 0.000 . 0 "[ . 1]"
1 70 GLY 0.000 0.000 . 0 "[ . 1]"
1 71 GLU 0.000 0.000 . 0 "[ . 1]"
1 72 GLU 0.000 0.000 . 0 "[ . 1]"
1 73 ALA 0.000 0.000 . 0 "[ . 1]"
1 74 GLY 0.000 0.000 . 0 "[ . 1]"
1 78 PRO 0.000 0.000 . 0 "[ . 1]"
1 79 LEU 1.557 0.323 9 0 "[ . 1]"
1 80 LEU 2.217 0.405 7 0 "[ . 1]"
1 81 GLU 0.267 0.255 8 0 "[ . 1]"
1 82 ALA 0.000 0.000 . 0 "[ . 1]"
1 83 VAL 0.000 0.000 . 0 "[ . 1]"
1 84 PRO 0.000 0.000 . 0 "[ . 1]"
1 86 THR 0.013 0.013 7 0 "[ . 1]"
1 92 VAL 0.000 0.000 . 0 "[ . 1]"
1 93 SER 0.000 0.000 . 0 "[ . 1]"
1 94 VAL 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 37 ILE HA 1 37 ILE MD . . 3.460 2.664 2.064 3.526 0.066 1 0 "[ . 1]" 1
2 1 37 ILE HB 1 37 ILE MD . . 3.490 2.742 2.012 3.229 . 0 0 "[ . 1]" 1
3 1 37 ILE HA 1 40 MET HG3 . . 4.270 3.584 3.544 3.662 . 0 0 "[ . 1]" 1
4 1 37 ILE HA 1 45 ALA MB . . 4.240 3.220 2.919 3.511 . 0 0 "[ . 1]" 1
5 1 37 ILE HA 1 37 ILE HG13 . . 4.000 3.110 2.184 3.738 . 0 0 "[ . 1]" 1
6 1 37 ILE HA 1 37 ILE HG12 . . 4.000 3.232 3.176 3.305 . 0 0 "[ . 1]" 1
7 1 27 VAL HA 1 27 VAL MG1 . . 3.290 2.270 2.163 2.350 . 0 0 "[ . 1]" 1
8 1 30 VAL HA 1 33 LEU HB3 . . 3.450 2.648 2.583 2.684 . 0 0 "[ . 1]" 1
9 1 30 VAL HA 1 30 VAL MG2 . . 3.320 2.428 2.253 3.171 . 0 0 "[ . 1]" 1
10 1 30 VAL HA 1 33 LEU HB2 . . 3.800 3.252 3.155 3.304 . 0 0 "[ . 1]" 1
11 1 30 VAL HA 1 33 LEU MD2 . . 5.440 3.242 3.072 3.318 . 0 0 "[ . 1]" 1
12 1 39 LYS QB 1 40 MET HG2 . . 4.980 4.144 3.515 4.592 . 0 0 "[ . 1]" 1
13 1 45 ALA HA 1 48 HIS QB . . 3.980 2.833 2.717 2.993 . 0 0 "[ . 1]" 1
14 1 48 HIS HA 1 51 ARG QB . . 3.790 2.838 2.741 2.933 . 0 0 "[ . 1]" 1
15 1 13 VAL MG1 1 48 HIS HA . . 4.650 4.559 4.443 4.662 0.012 7 0 "[ . 1]" 1
16 1 33 LEU HA 1 36 ALA MB . . 3.520 2.817 2.760 2.870 . 0 0 "[ . 1]" 1
17 1 36 ALA MB 1 37 ILE MD . . 3.640 3.051 2.884 3.400 . 0 0 "[ . 1]" 1
18 1 10 PRO HA 1 13 VAL HB . . 3.290 3.163 3.083 3.218 . 0 0 "[ . 1]" 1
19 1 24 CYS HB3 1 33 LEU HB2 . . 4.000 3.487 3.393 3.557 . 0 0 "[ . 1]" 1
20 1 24 CYS HB2 1 33 LEU HB2 . . 5.110 4.476 4.386 4.538 . 0 0 "[ . 1]" 1
21 1 24 CYS HB2 1 33 LEU MD1 . . 5.500 3.475 3.408 3.532 . 0 0 "[ . 1]" 1
22 1 24 CYS HB3 1 33 LEU MD1 . . 5.390 2.617 2.577 2.691 . 0 0 "[ . 1]" 1
23 1 53 ILE MG 1 54 ASP HA . . 3.930 3.400 3.219 3.614 . 0 0 "[ . 1]" 1
24 1 8 LEU QB 1 55 SER HB3 . . 3.990 2.976 2.374 3.967 . 0 0 "[ . 1]" 1
25 1 13 VAL MG2 1 55 SER HB3 . . 3.960 1.996 1.883 2.792 . 0 0 "[ . 1]" 1
26 1 8 LEU QB 1 55 SER HB2 . . 3.990 3.505 3.167 3.692 . 0 0 "[ . 1]" 1
27 1 57 LEU HA 1 57 LEU MD2 . . 4.100 3.870 3.809 3.940 . 0 0 "[ . 1]" 1
28 1 57 LEU HA 1 57 LEU HG . . 3.460 3.184 3.033 3.350 . 0 0 "[ . 1]" 1
29 1 57 LEU HA 1 57 LEU MD1 . . 3.390 1.969 1.930 2.079 . 0 0 "[ . 1]" 1
30 1 58 TRP HA 1 58 TRP HD1 . . 4.180 3.684 2.776 4.262 0.082 9 0 "[ . 1]" 1
31 1 58 TRP HA 1 58 TRP HE3 . . 4.420 3.408 2.509 4.786 0.366 5 0 "[ . 1]" 1
32 1 25 PHE HE2 1 58 TRP HB2 . . 4.730 4.556 3.624 4.806 0.076 9 0 "[ . 1]" 1
33 1 51 ARG QB 1 52 CYS HA . . 3.940 3.863 3.858 3.869 . 0 0 "[ . 1]" 1
34 1 50 GLN HA 1 50 GLN HG2 . . 4.230 2.776 2.253 3.872 . 0 0 "[ . 1]" 1
35 1 50 GLN HA 1 50 GLN HG3 . . 4.230 3.579 3.329 3.632 . 0 0 "[ . 1]" 1
36 1 49 MET HA 1 49 MET QG . . 3.890 2.606 2.337 2.878 . 0 0 "[ . 1]" 1
37 1 37 ILE HA 1 40 MET HB2 . . 4.550 2.238 2.175 2.311 . 0 0 "[ . 1]" 1
38 1 40 MET HA 1 40 MET HG2 . . 4.020 2.423 2.391 2.459 . 0 0 "[ . 1]" 1
39 1 37 ILE HA 1 40 MET HG2 . . 4.310 4.380 4.363 4.409 0.099 7 0 "[ . 1]" 1
40 1 40 MET HA 1 40 MET HG3 . . 3.680 3.627 3.622 3.638 . 0 0 "[ . 1]" 1
41 1 33 LEU HA 1 33 LEU MD2 . . 4.580 3.929 3.918 3.943 . 0 0 "[ . 1]" 1
42 1 33 LEU HA 1 33 LEU HG . . 4.060 3.094 3.066 3.119 . 0 0 "[ . 1]" 1
43 1 33 LEU HA 1 33 LEU MD1 . . 4.580 2.317 2.228 2.390 . 0 0 "[ . 1]" 1
44 1 31 GLN HA 1 31 GLN QG . . 3.580 2.618 2.457 3.147 . 0 0 "[ . 1]" 1
45 1 29 ASP HA 1 31 GLN QG . . 4.280 4.252 4.176 4.279 . 0 0 "[ . 1]" 1
46 1 14 TYR HE1 1 25 PHE HB3 . . 5.200 5.198 5.084 5.265 0.065 4 0 "[ . 1]" 1
47 1 14 TYR HE1 1 25 PHE HB2 . . 4.110 4.151 4.134 4.166 0.056 9 0 "[ . 1]" 1
48 1 22 GLN HA 1 22 GLN HG2 . . 3.650 2.445 2.303 2.738 . 0 0 "[ . 1]" 1
49 1 22 GLN HA 1 22 GLN HG3 . . 3.650 3.129 2.756 3.321 . 0 0 "[ . 1]" 1
50 1 22 GLN HA 1 25 PHE HB2 . . 4.380 2.991 2.888 3.093 . 0 0 "[ . 1]" 1
51 1 22 GLN HA 1 24 CYS H . . 4.880 4.298 4.246 4.375 . 0 0 "[ . 1]" 1
52 1 17 LEU HB2 1 22 GLN HA . . 5.260 4.791 4.436 4.921 . 0 0 "[ . 1]" 1
53 1 21 LEU QB 1 22 GLN HA . . 5.470 3.742 3.706 3.786 . 0 0 "[ . 1]" 1
54 1 21 LEU HA 1 21 LEU HG . . 4.270 3.649 3.621 3.680 . 0 0 "[ . 1]" 1
55 1 21 LEU HA 1 21 LEU MD2 . . 3.780 2.286 2.165 2.536 . 0 0 "[ . 1]" 1
56 1 10 PRO QG 1 57 LEU MD1 . . 4.950 4.239 3.872 4.685 . 0 0 "[ . 1]" 1
57 1 13 VAL HB 1 57 LEU MD1 . . 5.360 4.304 3.954 4.538 . 0 0 "[ . 1]" 1
58 1 8 LEU HA 1 8 LEU MD2 . . 3.460 2.704 2.232 3.530 0.070 3 0 "[ . 1]" 1
59 1 11 VAL HA 1 11 VAL MG1 . . 3.330 2.682 2.249 3.200 . 0 0 "[ . 1]" 1
60 1 11 VAL HA 1 14 TYR HB3 . . 3.780 2.984 2.917 3.056 . 0 0 "[ . 1]" 1
61 1 11 VAL HA 1 14 TYR HB2 . . 4.100 3.125 3.087 3.199 . 0 0 "[ . 1]" 1
62 1 11 VAL HA 1 11 VAL MG2 . . 3.330 2.343 2.287 2.386 . 0 0 "[ . 1]" 1
63 1 13 VAL HA 1 13 VAL MG1 . . 3.560 2.358 2.319 2.370 . 0 0 "[ . 1]" 1
64 1 13 VAL MG2 1 51 ARG QB . . 3.580 2.311 2.203 2.449 . 0 0 "[ . 1]" 1
65 1 13 VAL HA 1 13 VAL MG2 . . 3.340 2.262 2.226 2.359 . 0 0 "[ . 1]" 1
66 1 13 VAL MG2 1 55 SER HB2 . . 3.960 2.271 2.010 2.553 . 0 0 "[ . 1]" 1
67 1 10 PRO HA 1 13 VAL MG2 . . 4.080 3.317 3.168 3.491 . 0 0 "[ . 1]" 1
68 1 14 TYR HB3 1 57 LEU MD1 . . 4.710 4.211 3.853 4.429 . 0 0 "[ . 1]" 1
69 1 14 TYR HA 1 17 LEU HB2 . . 4.690 2.977 2.911 3.143 . 0 0 "[ . 1]" 1
70 1 14 TYR HA 1 57 LEU MD2 . . 3.760 2.647 2.519 2.747 . 0 0 "[ . 1]" 1
71 1 15 GLU HA 1 15 GLU HG3 . . 3.730 3.505 3.478 3.516 . 0 0 "[ . 1]" 1
72 1 15 GLU HA 1 15 GLU HG2 . . 4.210 2.351 2.337 2.367 . 0 0 "[ . 1]" 1
73 1 14 TYR HD1 1 15 GLU HG3 . . 5.080 5.060 4.969 5.091 0.011 6 0 "[ . 1]" 1
74 1 14 TYR HA 1 17 LEU MD1 . . 4.770 3.493 2.406 3.828 . 0 0 "[ . 1]" 1
75 1 37 ILE HA 1 37 ILE MG . . 3.200 2.350 2.271 2.474 . 0 0 "[ . 1]" 1
76 1 50 GLN HA 1 53 ILE MG . . 4.720 4.212 4.097 4.289 . 0 0 "[ . 1]" 1
77 1 30 VAL MG1 1 31 GLN QG . . 4.970 4.158 3.778 4.878 . 0 0 "[ . 1]" 1
78 1 32 MET HA 1 32 MET QG . . 3.320 2.205 2.137 2.378 . 0 0 "[ . 1]" 1
79 1 32 MET HA 1 35 ASP HB2 . . 3.820 2.793 2.658 3.031 . 0 0 "[ . 1]" 1
80 1 37 ILE MG 1 38 SER QB . . 4.820 4.488 4.111 4.661 . 0 0 "[ . 1]" 1
81 1 37 ILE MG 1 45 ALA HA . . 4.980 3.313 3.114 3.535 . 0 0 "[ . 1]" 1
82 1 37 ILE MG 1 49 MET QG . . 4.290 3.471 3.118 4.000 . 0 0 "[ . 1]" 1
83 1 37 ILE MG 1 38 SER HA . . 4.200 3.580 3.289 3.808 . 0 0 "[ . 1]" 1
84 1 37 ILE MG 1 45 ALA MB . . 3.030 1.727 1.696 1.765 . 0 0 "[ . 1]" 1
85 1 45 ALA MB 1 49 MET QG . . 4.660 3.385 3.105 3.789 . 0 0 "[ . 1]" 1
86 1 40 MET HB2 1 45 ALA MB . . 3.850 3.512 3.418 3.585 . 0 0 "[ . 1]" 1
87 1 24 CYS HA 1 27 VAL MG2 . . 3.640 2.138 2.108 2.173 . 0 0 "[ . 1]" 1
88 1 8 LEU HG 1 54 ASP HB3 . . 5.090 4.253 3.566 5.100 0.010 9 0 "[ . 1]" 1
89 1 9 ASP HA 1 10 PRO HD3 . . 3.320 2.312 2.298 2.325 . 0 0 "[ . 1]" 1
90 1 50 GLN HA 1 51 ARG QD . . 5.500 5.584 5.563 5.646 0.146 3 0 "[ . 1]" 1
91 1 40 MET HA 1 41 ASP QB . . 4.650 4.399 4.316 4.476 . 0 0 "[ . 1]" 1
92 1 41 ASP QB 1 42 PRO HD3 . . 4.340 3.426 3.370 3.527 . 0 0 "[ . 1]" 1
93 1 46 LYS HA 1 49 MET HB3 . . 4.690 4.401 4.277 4.493 . 0 0 "[ . 1]" 1
94 1 17 LEU HA 1 18 PRO HD2 . . 3.150 2.481 2.453 2.506 . 0 0 "[ . 1]" 1
95 1 17 LEU HB3 1 18 PRO HD2 . . 4.160 2.232 1.973 2.376 . 0 0 "[ . 1]" 1
96 1 17 LEU HB2 1 17 LEU MD1 . . 3.500 2.378 2.159 2.450 . 0 0 "[ . 1]" 1
97 1 34 GLN HA 1 34 GLN HG2 . . 4.180 2.468 2.161 3.516 . 0 0 "[ . 1]" 1
98 1 34 GLN HA 1 34 GLN HG3 . . 4.180 3.237 2.982 3.670 . 0 0 "[ . 1]" 1
99 1 31 GLN QB 1 31 GLN QG . . 2.470 2.032 1.965 2.059 . 0 0 "[ . 1]" 1
100 1 47 TYR HD1 1 48 HIS HA . . 5.390 5.348 5.301 5.398 0.008 9 0 "[ . 1]" 1
101 1 8 LEU QB 1 51 ARG QD . . 5.500 3.967 3.662 4.408 . 0 0 "[ . 1]" 1
102 1 8 LEU QB 1 54 ASP HB2 . . 5.500 3.038 2.733 3.415 . 0 0 "[ . 1]" 1
103 1 8 LEU QB 1 54 ASP HB3 . . 5.500 2.870 2.373 4.290 . 0 0 "[ . 1]" 1
104 1 8 LEU HG 1 51 ARG QD . . 4.650 3.259 2.561 4.663 0.013 3 0 "[ . 1]" 1
105 1 11 VAL HA 1 57 LEU MD1 . . 4.910 4.317 3.855 4.783 . 0 0 "[ . 1]" 1
106 1 9 ASP HA 1 10 PRO QG . . 4.160 4.023 4.003 4.042 . 0 0 "[ . 1]" 1
107 1 10 PRO HA 1 57 LEU MD1 . . 4.060 3.500 2.885 3.801 . 0 0 "[ . 1]" 1
108 1 13 VAL MG2 1 51 ARG HA . . 4.610 3.510 3.351 3.620 . 0 0 "[ . 1]" 1
109 1 13 VAL MG2 1 52 CYS HA . . 5.070 3.527 3.396 3.702 . 0 0 "[ . 1]" 1
110 1 13 VAL MG1 1 52 CYS HB2 . . 4.750 4.245 3.504 4.734 . 0 0 "[ . 1]" 1
111 1 13 VAL MG1 1 52 CYS HB3 . . 4.750 4.189 3.637 4.772 0.022 10 0 "[ . 1]" 1
112 1 52 CYS HB2 1 53 ILE QG . . 5.500 4.003 3.031 4.847 . 0 0 "[ . 1]" 1
113 1 52 CYS HB3 1 53 ILE QG . . 5.500 4.205 3.698 4.766 . 0 0 "[ . 1]" 1
114 1 14 TYR HB3 1 57 LEU MD2 . . 4.800 3.748 3.581 4.004 . 0 0 "[ . 1]" 1
115 1 13 VAL HB 1 57 LEU MD2 . . 4.110 2.786 2.495 3.113 . 0 0 "[ . 1]" 1
116 1 14 TYR HD1 1 57 LEU MD2 . . 4.820 4.664 4.526 4.831 0.011 3 0 "[ . 1]" 1
117 1 14 TYR HB2 1 57 LEU MD2 . . 3.930 2.271 2.073 2.563 . 0 0 "[ . 1]" 1
118 1 17 LEU HB3 1 22 GLN QB . . 4.970 4.820 4.712 5.005 0.035 5 0 "[ . 1]" 1
119 1 17 LEU HB3 1 22 GLN HG3 . . 4.810 3.161 2.763 3.324 . 0 0 "[ . 1]" 1
120 1 17 LEU HA 1 18 PRO HG2 . . 5.180 4.579 4.556 4.599 . 0 0 "[ . 1]" 1
121 1 17 LEU HA 1 18 PRO HG3 . . 5.180 4.523 4.505 4.540 . 0 0 "[ . 1]" 1
122 1 13 VAL MG1 1 52 CYS HA . . 3.470 2.810 2.718 2.937 . 0 0 "[ . 1]" 1
123 1 19 GLU HA 1 22 GLN QB . . 3.560 2.626 2.494 2.721 . 0 0 "[ . 1]" 1
124 1 17 LEU HB2 1 17 LEU MD2 . . 3.500 2.486 2.285 3.184 . 0 0 "[ . 1]" 1
125 1 14 TYR HA 1 17 LEU MD2 . . 4.770 3.254 2.762 4.774 0.004 8 0 "[ . 1]" 1
126 1 48 HIS HA 1 51 ARG HG3 . . 4.690 3.841 3.675 3.970 . 0 0 "[ . 1]" 1
127 1 48 HIS HA 1 51 ARG HG2 . . 4.820 3.688 3.541 3.868 . 0 0 "[ . 1]" 1
128 1 37 ILE HG13 1 49 MET ME . . 3.860 2.656 1.951 3.391 . 0 0 "[ . 1]" 1
129 1 45 ALA HA 1 49 MET ME . . 4.170 4.109 3.990 4.175 0.005 3 0 "[ . 1]" 1
130 1 24 CYS HB2 1 32 MET ME . . 4.590 3.054 2.774 3.536 . 0 0 "[ . 1]" 1
131 1 32 MET HB3 1 32 MET ME . . 3.070 2.735 2.073 2.980 . 0 0 "[ . 1]" 1
132 1 32 MET ME 1 33 LEU HG . . 5.500 5.515 5.478 5.548 0.048 2 0 "[ . 1]" 1
133 1 37 ILE HA 1 49 MET ME . . 5.160 4.761 4.483 5.158 . 0 0 "[ . 1]" 1
134 1 49 MET HA 1 49 MET ME . . 4.590 3.704 2.144 4.582 . 0 0 "[ . 1]" 1
135 1 24 CYS HB3 1 33 LEU MD2 . . 5.390 4.260 4.191 4.301 . 0 0 "[ . 1]" 1
136 1 24 CYS HB2 1 33 LEU MD2 . . 5.500 5.498 5.450 5.513 0.013 8 0 "[ . 1]" 1
137 1 30 VAL HA 1 33 LEU MD1 . . 5.440 4.838 4.746 4.890 . 0 0 "[ . 1]" 1
138 1 36 ALA HA 1 40 MET HG3 . . 5.500 4.975 4.441 5.532 0.032 1 0 "[ . 1]" 1
139 1 36 ALA HA 1 39 LYS HD2 . . 4.230 2.530 2.028 3.009 . 0 0 "[ . 1]" 1
140 1 36 ALA HA 1 39 LYS QB . . 4.810 3.930 3.725 4.095 . 0 0 "[ . 1]" 1
141 1 35 ASP HB3 1 36 ALA MB . . 5.300 4.037 3.952 4.130 . 0 0 "[ . 1]" 1
142 1 36 ALA MB 1 40 MET HG3 . . 5.470 3.676 3.331 4.164 . 0 0 "[ . 1]" 1
143 1 35 ASP HB2 1 36 ALA MB . . 5.090 4.850 4.750 4.946 . 0 0 "[ . 1]" 1
144 1 8 LEU HG 1 54 ASP HB2 . . 5.090 4.015 3.393 5.100 0.010 7 0 "[ . 1]" 1
145 1 59 VAL HA 1 60 PRO HD2 . . 3.250 2.004 1.925 2.055 . 0 0 "[ . 1]" 1
146 1 53 ILE QG 1 60 PRO HD2 . . 4.370 3.623 2.904 4.348 . 0 0 "[ . 1]" 1
147 1 53 ILE QG 1 60 PRO HD3 . . 4.370 3.462 2.686 3.944 . 0 0 "[ . 1]" 1
148 1 59 VAL HA 1 60 PRO HD3 . . 3.250 2.636 2.304 2.879 . 0 0 "[ . 1]" 1
149 1 9 ASP HB3 1 10 PRO HD2 . . 5.160 2.195 2.034 2.455 . 0 0 "[ . 1]" 1
150 1 9 ASP HB3 1 10 PRO HD3 . . 5.160 3.609 3.479 3.815 . 0 0 "[ . 1]" 1
151 1 9 ASP HB2 1 10 PRO HD3 . . 5.160 4.755 4.715 4.806 . 0 0 "[ . 1]" 1
152 1 9 ASP HB2 1 10 PRO HD2 . . 5.160 3.710 3.641 3.807 . 0 0 "[ . 1]" 1
153 1 41 ASP QB 1 42 PRO HD2 . . 4.090 2.079 1.999 2.228 . 0 0 "[ . 1]" 1
154 1 83 VAL HA 1 84 PRO HD2 . . 3.410 2.163 2.030 2.433 . 0 0 "[ . 1]" 1
155 1 57 LEU HG 1 58 TRP HB3 . . 5.320 5.058 4.698 5.330 0.010 9 0 "[ . 1]" 1
156 1 37 ILE HG12 1 49 MET ME . . 3.860 3.100 1.928 3.867 0.007 6 0 "[ . 1]" 1
157 1 37 ILE HA 1 40 MET HB3 . . 4.020 3.773 3.642 3.920 . 0 0 "[ . 1]" 1
158 1 38 SER QB 1 39 LYS HA . . 4.390 4.059 3.924 4.283 . 0 0 "[ . 1]" 1
159 1 33 LEU MD1 1 37 ILE MD . . 4.200 2.921 2.525 3.260 . 0 0 "[ . 1]" 1
160 1 33 LEU MD2 1 37 ILE MD . . 4.200 3.680 2.867 4.216 0.016 4 0 "[ . 1]" 1
161 1 59 VAL HA 1 59 VAL MG1 . . 3.220 2.324 2.216 2.401 . 0 0 "[ . 1]" 1
162 1 59 VAL HA 1 59 VAL MG2 . . 3.220 2.353 2.267 2.445 . 0 0 "[ . 1]" 1
163 1 14 TYR HB2 1 57 LEU MD1 . . 3.760 2.770 2.350 2.996 . 0 0 "[ . 1]" 1
164 1 13 VAL MG1 1 51 ARG QB . . 3.390 2.132 1.954 2.240 . 0 0 "[ . 1]" 1
165 1 13 VAL MG1 1 14 TYR HA . . 4.490 3.446 3.349 3.563 . 0 0 "[ . 1]" 1
166 1 13 VAL MG1 1 55 SER HB2 . . 4.980 4.155 3.399 4.326 . 0 0 "[ . 1]" 1
167 1 10 PRO HA 1 13 VAL MG1 . . 4.750 4.482 4.426 4.535 . 0 0 "[ . 1]" 1
168 1 12 GLU QB 1 13 VAL HA . . 4.690 3.931 3.783 4.089 . 0 0 "[ . 1]" 1
169 1 43 THR HA 1 46 LYS QB . . 3.900 2.867 2.830 2.912 . 0 0 "[ . 1]" 1
170 1 45 ALA HA 1 49 MET QG . . 4.600 3.889 3.740 4.229 . 0 0 "[ . 1]" 1
171 1 40 MET HB2 1 45 ALA HA . . 5.170 4.736 4.613 4.830 . 0 0 "[ . 1]" 1
172 1 36 ALA HA 1 39 LYS QE . . 5.050 3.823 3.270 4.227 . 0 0 "[ . 1]" 1
173 1 36 ALA HA 1 40 MET HG2 . . 5.500 4.736 4.119 5.463 . 0 0 "[ . 1]" 1
174 1 79 LEU HA 1 79 LEU MD1 . . 4.470 3.292 2.243 3.912 . 0 0 "[ . 1]" 1
175 1 79 LEU HA 1 79 LEU MD2 . . 4.470 3.237 2.238 3.954 . 0 0 "[ . 1]" 1
176 1 21 LEU HA 1 21 LEU MD1 . . 3.780 2.231 1.946 2.458 . 0 0 "[ . 1]" 1
177 1 83 VAL HA 1 84 PRO HD3 . . 3.410 2.603 2.258 2.999 . 0 0 "[ . 1]" 1
178 1 59 VAL HB 1 60 PRO HD2 . . 5.140 4.627 4.293 4.816 . 0 0 "[ . 1]" 1
179 1 59 VAL HB 1 60 PRO HD3 . . 5.140 5.034 4.989 5.076 . 0 0 "[ . 1]" 1
180 1 32 MET HA 1 35 ASP HB3 . . 3.960 3.794 3.583 3.980 0.020 6 0 "[ . 1]" 1
181 1 35 ASP HB3 1 36 ALA HA . . 4.480 3.873 3.848 3.906 . 0 0 "[ . 1]" 1
182 1 9 ASP HA 1 10 PRO QB . . 4.760 4.574 4.567 4.582 . 0 0 "[ . 1]" 1
183 1 43 THR HA 1 43 THR MG . . 3.230 2.153 2.112 2.172 . 0 0 "[ . 1]" 1
184 1 41 ASP QB 1 43 THR HB . . 5.040 3.911 3.830 4.018 . 0 0 "[ . 1]" 1
185 1 43 THR MG 1 46 LYS QB . . 4.710 3.679 3.645 3.702 . 0 0 "[ . 1]" 1
186 1 86 THR HA 1 86 THR HB . . 2.880 2.616 2.388 2.893 0.013 7 0 "[ . 1]" 1
187 1 9 ASP HA 1 10 PRO HD2 . . 3.320 2.435 2.404 2.465 . 0 0 "[ . 1]" 1
188 1 11 VAL HA 1 14 TYR HD1 . . 5.500 5.558 5.534 5.582 0.082 7 0 "[ . 1]" 1
189 1 8 LEU HA 1 13 VAL MG2 . . 5.440 4.701 4.607 4.804 . 0 0 "[ . 1]" 1
190 1 13 VAL MG2 1 55 SER HA . . 5.500 3.898 3.805 4.098 . 0 0 "[ . 1]" 1
191 1 14 TYR HA 1 17 LEU HB3 . . 5.240 4.450 4.366 4.645 . 0 0 "[ . 1]" 1
192 1 13 VAL MG2 1 14 TYR HA . . 5.500 5.385 5.379 5.389 . 0 0 "[ . 1]" 1
193 1 10 PRO QG 1 57 LEU HA . . 5.500 5.068 4.551 5.506 0.006 10 0 "[ . 1]" 1
194 1 10 PRO QB 1 57 LEU HA . . 4.480 3.224 2.734 3.651 . 0 0 "[ . 1]" 1
195 1 12 GLU HA 1 15 GLU HG2 . . 5.500 5.383 5.308 5.421 . 0 0 "[ . 1]" 1
196 1 22 GLN HA 1 25 PHE HB3 . . 4.770 4.611 4.504 4.713 . 0 0 "[ . 1]" 1
197 1 21 LEU HG 1 48 HIS QB . . 4.580 4.485 4.096 4.611 0.031 10 0 "[ . 1]" 1
198 1 21 LEU MD1 1 24 CYS HB3 . . 5.500 3.388 2.928 3.702 . 0 0 "[ . 1]" 1
199 1 21 LEU MD2 1 24 CYS HB3 . . 5.500 4.308 4.080 4.442 . 0 0 "[ . 1]" 1
200 1 21 LEU MD1 1 24 CYS HB2 . . 5.500 4.090 3.684 4.333 . 0 0 "[ . 1]" 1
201 1 21 LEU MD2 1 24 CYS HB2 . . 5.500 4.152 3.920 4.491 . 0 0 "[ . 1]" 1
202 1 28 LYS HA 1 28 LYS QG . . 3.900 2.760 2.243 3.412 . 0 0 "[ . 1]" 1
203 1 28 LYS HA 1 28 LYS QD . . 4.480 3.945 3.555 4.268 . 0 0 "[ . 1]" 1
204 1 11 VAL HA 1 14 TYR H . . 5.500 3.491 3.477 3.516 . 0 0 "[ . 1]" 1
205 1 36 ALA HA 1 39 LYS HD3 . . 4.230 3.316 2.143 4.143 . 0 0 "[ . 1]" 1
206 1 53 ILE MD 1 66 GLU H . . 5.500 4.445 3.364 5.477 . 0 0 "[ . 1]" 1
207 1 53 ILE HA 1 53 ILE MD . . 3.990 3.866 3.829 3.889 . 0 0 "[ . 1]" 1
208 1 50 GLN HA 1 53 ILE MD . . 3.590 2.384 1.940 2.813 . 0 0 "[ . 1]" 1
209 1 53 ILE HB 1 53 ILE MD . . 2.800 2.141 2.088 2.222 . 0 0 "[ . 1]" 1
210 1 49 MET QG 1 53 ILE MD . . 4.450 4.284 4.011 4.457 0.007 2 0 "[ . 1]" 1
211 1 37 ILE MD 1 49 MET QG . . 4.720 3.607 3.319 3.910 . 0 0 "[ . 1]" 1
212 1 37 ILE MD 1 45 ALA HA . . 5.270 3.642 2.749 4.937 . 0 0 "[ . 1]" 1
213 1 37 ILE HB 1 38 SER QB . . 5.010 4.233 4.025 4.619 . 0 0 "[ . 1]" 1
214 1 13 VAL MG1 1 55 SER HB3 . . 4.980 3.663 3.365 4.319 . 0 0 "[ . 1]" 1
215 1 8 LEU HA 1 8 LEU MD1 . . 3.460 2.413 2.028 3.431 . 0 0 "[ . 1]" 1
216 1 8 LEU H 1 8 LEU HG . . 5.500 4.259 3.622 4.509 . 0 0 "[ . 1]" 1
217 1 10 PRO QB 1 11 VAL H . . 4.150 2.971 2.863 3.067 . 0 0 "[ . 1]" 1
218 1 44 ASP HA 1 47 TYR HB3 . . 4.240 2.750 2.705 2.819 . 0 0 "[ . 1]" 1
219 1 44 ASP HA 1 47 TYR HB2 . . 4.430 3.936 3.810 3.984 . 0 0 "[ . 1]" 1
220 1 21 LEU HG 1 25 PHE HE2 . . 4.850 4.822 4.543 4.946 0.096 6 0 "[ . 1]" 1
221 1 21 LEU H 1 24 CYS HB3 . . 5.500 5.611 5.528 5.650 0.150 6 0 "[ . 1]" 1
222 1 21 LEU H 1 24 CYS HB2 . . 4.990 4.992 4.876 5.028 0.038 6 0 "[ . 1]" 1
223 1 47 TYR HE2 1 48 HIS QB . . 5.360 4.989 4.249 5.389 0.029 2 0 "[ . 1]" 1
224 1 10 PRO QB 1 57 LEU HB2 . . 5.080 3.210 2.604 3.559 . 0 0 "[ . 1]" 1
225 1 10 PRO QB 1 57 LEU HB3 . . 5.080 4.679 4.068 5.050 . 0 0 "[ . 1]" 1
226 1 53 ILE MG 1 60 PRO HD3 . . 5.500 4.945 3.633 5.530 0.030 6 0 "[ . 1]" 1
227 1 53 ILE MG 1 60 PRO HD2 . . 5.500 4.609 4.417 5.004 . 0 0 "[ . 1]" 1
228 1 42 PRO HA 1 45 ALA MB . . 3.240 2.708 2.657 2.743 . 0 0 "[ . 1]" 1
229 1 17 LEU HB3 1 22 GLN HG2 . . 4.810 3.858 3.407 4.393 . 0 0 "[ . 1]" 1
230 1 53 ILE HA 1 53 ILE MG . . 3.320 2.377 2.317 2.434 . 0 0 "[ . 1]" 1
231 1 8 LEU QB 1 55 SER HA . . 3.850 3.198 2.842 3.565 . 0 0 "[ . 1]" 1
232 1 39 LYS HA 1 39 LYS QG . . 4.010 3.133 2.765 3.409 . 0 0 "[ . 1]" 1
233 1 40 MET HB3 1 45 ALA MB . . 3.590 3.606 3.592 3.622 0.032 8 0 "[ . 1]" 1
234 1 50 GLN HA 1 53 ILE HB . . 3.830 2.902 2.825 2.975 . 0 0 "[ . 1]" 1
235 1 53 ILE HA 1 53 ILE QG . . 3.890 2.428 2.364 2.465 . 0 0 "[ . 1]" 1
236 1 53 ILE QG 1 66 GLU H . . 5.440 5.049 3.760 5.433 . 0 0 "[ . 1]" 1
237 1 24 CYS HB3 1 33 LEU HG . . 5.500 5.522 5.489 5.547 0.047 1 0 "[ . 1]" 1
238 1 30 VAL HA 1 33 LEU HG . . 5.290 5.017 4.979 5.037 . 0 0 "[ . 1]" 1
239 1 33 LEU H 1 33 LEU MD2 . . 4.480 4.212 4.158 4.229 . 0 0 "[ . 1]" 1
240 1 33 LEU H 1 33 LEU MD1 . . 4.480 4.109 4.039 4.161 . 0 0 "[ . 1]" 1
241 1 13 VAL H 1 13 VAL MG1 . . 3.790 3.759 3.753 3.764 . 0 0 "[ . 1]" 1
242 1 27 VAL H 1 27 VAL MG2 . . 3.190 1.904 1.897 1.935 . 0 0 "[ . 1]" 1
243 1 26 ASP HB3 1 27 VAL H . . 4.050 2.987 2.673 3.455 . 0 0 "[ . 1]" 1
244 1 27 VAL H 1 27 VAL HB . . 3.920 3.632 3.630 3.637 . 0 0 "[ . 1]" 1
245 1 26 ASP HB2 1 27 VAL H . . 4.050 3.310 2.830 3.899 . 0 0 "[ . 1]" 1
246 1 27 VAL H 1 28 LYS HA . . 4.820 4.681 4.669 4.687 . 0 0 "[ . 1]" 1
247 1 24 CYS HA 1 27 VAL H . . 4.250 3.615 3.592 3.643 . 0 0 "[ . 1]" 1
248 1 29 ASP HA 1 30 VAL H . . 3.200 2.303 2.294 2.312 . 0 0 "[ . 1]" 1
249 1 30 VAL H 1 30 VAL HB . . 3.580 2.714 2.529 3.573 . 0 0 "[ . 1]" 1
250 1 30 VAL H 1 31 GLN QG . . 4.690 4.023 3.942 4.057 . 0 0 "[ . 1]" 1
251 1 30 VAL H 1 30 VAL MG1 . . 4.240 3.649 2.661 3.764 . 0 0 "[ . 1]" 1
252 1 30 VAL H 1 30 VAL MG2 . . 3.670 2.097 1.851 2.296 . 0 0 "[ . 1]" 1
253 1 58 TRP HA 1 59 VAL H . . 2.860 2.261 2.239 2.321 . 0 0 "[ . 1]" 1
254 1 59 VAL H 1 60 PRO HD2 . . 4.920 4.418 4.123 4.798 . 0 0 "[ . 1]" 1
255 1 59 VAL H 1 60 PRO HD3 . . 4.920 3.939 3.429 4.683 . 0 0 "[ . 1]" 1
256 1 58 TRP HB3 1 59 VAL H . . 4.300 3.563 3.303 3.847 . 0 0 "[ . 1]" 1
257 1 58 TRP HB2 1 59 VAL H . . 4.560 4.171 4.099 4.247 . 0 0 "[ . 1]" 1
258 1 59 VAL H 1 59 VAL HB . . 3.270 2.597 2.484 2.688 . 0 0 "[ . 1]" 1
259 1 58 TRP H 1 59 VAL H . . 4.560 4.438 4.424 4.459 . 0 0 "[ . 1]" 1
260 1 21 LEU H 1 22 GLN H . . 2.740 2.661 2.601 2.691 . 0 0 "[ . 1]" 1
261 1 19 GLU HA 1 22 GLN H . . 3.730 3.508 3.459 3.541 . 0 0 "[ . 1]" 1
262 1 22 GLN H 1 22 GLN QB . . 3.020 2.392 2.352 2.476 . 0 0 "[ . 1]" 1
263 1 47 TYR H 1 48 HIS H . . 3.270 2.627 2.614 2.649 . 0 0 "[ . 1]" 1
264 1 46 LYS H 1 47 TYR H . . 3.050 2.648 2.639 2.656 . 0 0 "[ . 1]" 1
265 1 47 TYR H 1 47 TYR HB2 . . 2.890 2.873 2.797 2.917 0.027 6 0 "[ . 1]" 1
266 1 47 TYR H 1 47 TYR HB3 . . 2.840 2.247 2.214 2.307 . 0 0 "[ . 1]" 1
267 1 44 ASP HA 1 47 TYR H . . 3.650 3.514 3.496 3.525 . 0 0 "[ . 1]" 1
268 1 46 LYS QB 1 47 TYR H . . 3.030 2.701 2.667 2.723 . 0 0 "[ . 1]" 1
269 1 45 ALA H 1 47 TYR H . . 4.580 4.072 4.052 4.093 . 0 0 "[ . 1]" 1
270 1 47 TYR H 1 49 MET H . . 4.710 4.128 4.103 4.170 . 0 0 "[ . 1]" 1
271 1 43 THR MG 1 47 TYR H . . 4.720 4.711 4.691 4.724 0.004 1 0 "[ . 1]" 1
272 1 45 ALA H 1 46 LYS H . . 3.190 2.650 2.646 2.656 . 0 0 "[ . 1]" 1
273 1 46 LYS H 1 49 MET H . . 4.890 4.817 4.790 4.883 . 0 0 "[ . 1]" 1
274 1 44 ASP HA 1 46 LYS H . . 4.810 4.454 4.426 4.485 . 0 0 "[ . 1]" 1
275 1 42 PRO HA 1 46 LYS H . . 4.120 4.195 4.190 4.209 0.089 3 0 "[ . 1]" 1
276 1 43 THR HB 1 46 LYS H . . 5.500 5.509 5.502 5.521 0.021 9 0 "[ . 1]" 1
277 1 46 LYS H 1 47 TYR HB2 . . 5.470 5.381 5.281 5.432 . 0 0 "[ . 1]" 1
278 1 46 LYS H 1 46 LYS QE . . 5.350 4.970 4.502 5.308 . 0 0 "[ . 1]" 1
279 1 46 LYS H 1 47 TYR HB3 . . 5.500 4.625 4.586 4.694 . 0 0 "[ . 1]" 1
280 1 46 LYS H 1 46 LYS QB . . 2.610 2.239 2.228 2.247 . 0 0 "[ . 1]" 1
281 1 45 ALA MB 1 46 LYS H . . 2.890 2.567 2.536 2.604 . 0 0 "[ . 1]" 1
282 1 45 ALA H 1 45 ALA MB . . 2.730 2.203 2.165 2.235 . 0 0 "[ . 1]" 1
283 1 42 PRO HA 1 45 ALA H . . 3.960 3.664 3.646 3.692 . 0 0 "[ . 1]" 1
284 1 43 THR MG 1 44 ASP H . . 4.220 4.042 4.006 4.078 . 0 0 "[ . 1]" 1
285 1 44 ASP H 1 45 ALA MB . . 4.430 4.263 4.235 4.280 . 0 0 "[ . 1]" 1
286 1 41 ASP QB 1 44 ASP H . . 2.870 2.552 2.460 2.592 . 0 0 "[ . 1]" 1
287 1 43 THR HB 1 44 ASP H . . 3.200 2.718 2.679 2.761 . 0 0 "[ . 1]" 1
288 1 43 THR H 1 44 ASP H . . 3.300 2.628 2.621 2.636 . 0 0 "[ . 1]" 1
289 1 44 ASP H 1 45 ALA H . . 2.880 2.602 2.596 2.611 . 0 0 "[ . 1]" 1
290 1 43 THR H 1 43 THR HB . . 3.560 3.058 3.015 3.099 . 0 0 "[ . 1]" 1
291 1 42 PRO HD2 1 43 THR H . . 4.270 2.686 2.674 2.703 . 0 0 "[ . 1]" 1
292 1 41 ASP QB 1 43 THR H . . 4.550 2.706 2.642 2.770 . 0 0 "[ . 1]" 1
293 1 42 PRO HG2 1 43 THR H . . 4.510 2.076 2.028 2.122 . 0 0 "[ . 1]" 1
294 1 42 PRO HG3 1 43 THR H . . 4.510 3.663 3.627 3.697 . 0 0 "[ . 1]" 1
295 1 43 THR H 1 43 THR MG . . 4.240 3.590 3.556 3.624 . 0 0 "[ . 1]" 1
296 1 41 ASP H 1 41 ASP QB . . 3.000 2.132 2.073 2.186 . 0 0 "[ . 1]" 1
297 1 40 MET HB2 1 41 ASP H . . 3.620 3.753 3.734 3.782 0.162 6 0 "[ . 1]" 1
298 1 40 MET HB3 1 41 ASP H . . 4.090 2.333 2.316 2.364 . 0 0 "[ . 1]" 1
299 1 40 MET HA 1 41 ASP H . . 3.130 2.468 2.458 2.476 . 0 0 "[ . 1]" 1
300 1 40 MET H 1 41 ASP H . . 4.920 4.594 4.589 4.600 . 0 0 "[ . 1]" 1
301 1 28 LYS HA 1 29 ASP H . . 3.290 2.903 2.887 2.907 . 0 0 "[ . 1]" 1
302 1 29 ASP H 1 30 VAL H . . 5.080 3.919 3.868 3.944 . 0 0 "[ . 1]" 1
303 1 37 ILE H 1 40 MET H . . 5.500 4.589 4.462 4.736 . 0 0 "[ . 1]" 1
304 1 28 LYS H 1 29 ASP H . . 3.630 2.965 2.958 3.004 . 0 0 "[ . 1]" 1
305 1 39 LYS H 1 40 MET H . . 2.920 2.282 2.272 2.287 . 0 0 "[ . 1]" 1
306 1 73 ALA MB 1 74 GLY H . . 5.050 2.558 2.008 3.537 . 0 0 "[ . 1]" 1
307 1 70 GLY H 1 71 GLU H . . 4.730 3.810 2.388 4.621 . 0 0 "[ . 1]" 1
308 1 71 GLU H 1 72 GLU H . . 4.740 3.938 2.820 4.461 . 0 0 "[ . 1]" 1
309 1 34 GLN H 1 35 ASP H . . 3.020 2.667 2.635 2.734 . 0 0 "[ . 1]" 1
310 1 35 ASP H 1 36 ALA MB . . 4.250 4.218 4.171 4.245 . 0 0 "[ . 1]" 1
311 1 34 GLN QB 1 35 ASP H . . 2.990 2.763 2.742 2.805 . 0 0 "[ . 1]" 1
312 1 35 ASP H 1 35 ASP HB3 . . 3.230 3.094 2.984 3.202 . 0 0 "[ . 1]" 1
313 1 35 ASP H 1 35 ASP HB2 . . 2.800 2.118 2.081 2.169 . 0 0 "[ . 1]" 1
314 1 32 MET HA 1 35 ASP H . . 3.620 3.495 3.458 3.569 . 0 0 "[ . 1]" 1
315 1 53 ILE HB 1 54 ASP H . . 3.090 2.520 2.412 2.557 . 0 0 "[ . 1]" 1
316 1 53 ILE H 1 54 ASP H . . 3.320 2.631 2.602 2.686 . 0 0 "[ . 1]" 1
317 1 54 ASP H 1 54 ASP HB2 . . 3.750 2.572 2.190 3.601 . 0 0 "[ . 1]" 1
318 1 54 ASP H 1 54 ASP HB3 . . 3.750 3.487 2.623 3.598 . 0 0 "[ . 1]" 1
319 1 51 ARG HA 1 54 ASP H . . 3.690 3.570 3.519 3.632 . 0 0 "[ . 1]" 1
320 1 53 ILE MG 1 54 ASP H . . 3.480 3.314 3.143 3.473 . 0 0 "[ . 1]" 1
321 1 53 ILE MD 1 54 ASP H . . 4.650 4.257 4.096 4.334 . 0 0 "[ . 1]" 1
322 1 53 ILE H 1 53 ILE HB . . 2.690 2.484 2.390 2.539 . 0 0 "[ . 1]" 1
323 1 53 ILE H 1 53 ILE QG . . 3.390 2.239 2.094 2.455 . 0 0 "[ . 1]" 1
324 1 53 ILE H 1 53 ILE MD . . 3.550 3.290 3.163 3.363 . 0 0 "[ . 1]" 1
325 1 52 CYS HB3 1 53 ILE H . . 4.210 3.550 3.002 3.864 . 0 0 "[ . 1]" 1
326 1 50 GLN HA 1 53 ILE H . . 3.770 3.602 3.534 3.627 . 0 0 "[ . 1]" 1
327 1 49 MET HA 1 53 ILE H . . 4.140 4.139 4.042 4.229 0.089 9 0 "[ . 1]" 1
328 1 13 VAL H 1 14 TYR H . . 3.160 2.639 2.633 2.643 . 0 0 "[ . 1]" 1
329 1 14 TYR H 1 14 TYR HB3 . . 3.070 2.872 2.821 2.907 . 0 0 "[ . 1]" 1
330 1 14 TYR H 1 14 TYR HB2 . . 3.070 2.233 2.208 2.270 . 0 0 "[ . 1]" 1
331 1 10 PRO HA 1 14 TYR H . . 4.190 4.162 4.052 4.204 0.014 4 0 "[ . 1]" 1
332 1 12 GLU HA 1 14 TYR H . . 4.740 4.614 4.595 4.631 . 0 0 "[ . 1]" 1
333 1 13 VAL HB 1 14 TYR H . . 3.210 2.568 2.557 2.586 . 0 0 "[ . 1]" 1
334 1 10 PRO QB 1 14 TYR H . . 5.170 4.828 4.718 4.895 . 0 0 "[ . 1]" 1
335 1 12 GLU QB 1 14 TYR H . . 5.500 4.703 4.686 4.728 . 0 0 "[ . 1]" 1
336 1 13 VAL MG2 1 14 TYR H . . 4.110 3.852 3.821 3.884 . 0 0 "[ . 1]" 1
337 1 13 VAL MG1 1 14 TYR H . . 3.540 3.373 3.320 3.448 . 0 0 "[ . 1]" 1
338 1 14 TYR H 1 57 LEU MD1 . . 4.080 4.019 3.602 4.125 0.045 5 0 "[ . 1]" 1
339 1 7 GLY H 1 8 LEU H . . 4.990 2.897 1.862 3.980 . 0 0 "[ . 1]" 1
340 1 39 LYS QG 1 40 MET H . . 3.760 2.779 2.283 3.483 . 0 0 "[ . 1]" 1
341 1 8 LEU H 1 9 ASP H . . 4.800 4.479 4.456 4.499 . 0 0 "[ . 1]" 1
342 1 9 ASP H 1 12 GLU H . . 4.910 4.413 4.327 4.539 . 0 0 "[ . 1]" 1
343 1 9 ASP H 1 13 VAL H . . 4.810 4.703 4.612 4.813 0.003 6 0 "[ . 1]" 1
344 1 8 LEU HA 1 9 ASP H . . 2.710 2.204 2.180 2.228 . 0 0 "[ . 1]" 1
345 1 9 ASP H 1 10 PRO HD2 . . 5.150 4.787 4.775 4.799 . 0 0 "[ . 1]" 1
346 1 9 ASP H 1 10 PRO HD3 . . 5.150 5.068 5.055 5.081 . 0 0 "[ . 1]" 1
347 1 9 ASP H 1 9 ASP HB3 . . 3.580 3.500 3.388 3.584 0.004 5 0 "[ . 1]" 1
348 1 9 ASP H 1 9 ASP HB2 . . 3.580 2.250 2.181 2.322 . 0 0 "[ . 1]" 1
349 1 9 ASP H 1 12 GLU QB . . 3.920 2.982 2.849 3.092 . 0 0 "[ . 1]" 1
350 1 8 LEU QB 1 9 ASP H . . 3.370 3.001 2.910 3.133 . 0 0 "[ . 1]" 1
351 1 8 LEU HG 1 9 ASP H . . 5.200 4.778 4.218 5.090 . 0 0 "[ . 1]" 1
352 1 9 ASP H 1 13 VAL MG2 . . 4.250 3.993 3.901 4.080 . 0 0 "[ . 1]" 1
353 1 9 ASP HB3 1 12 GLU H . . 4.400 2.757 2.511 2.973 . 0 0 "[ . 1]" 1
354 1 9 ASP HB2 1 12 GLU H . . 4.400 3.199 3.037 3.497 . 0 0 "[ . 1]" 1
355 1 12 GLU H 1 12 GLU QG . . 4.070 3.769 2.342 4.037 . 0 0 "[ . 1]" 1
356 1 12 GLU H 1 12 GLU QB . . 2.950 2.195 2.074 2.370 . 0 0 "[ . 1]" 1
357 1 10 PRO HA 1 12 GLU H . . 4.770 4.441 4.397 4.475 . 0 0 "[ . 1]" 1
358 1 9 ASP HA 1 12 GLU H . . 5.340 4.742 4.708 4.775 . 0 0 "[ . 1]" 1
359 1 12 GLU H 1 13 VAL H . . 3.090 2.726 2.721 2.732 . 0 0 "[ . 1]" 1
360 1 10 PRO HA 1 13 VAL H . . 3.820 3.680 3.614 3.739 . 0 0 "[ . 1]" 1
361 1 12 GLU QG 1 13 VAL H . . 4.230 3.939 3.642 4.226 . 0 0 "[ . 1]" 1
362 1 12 GLU QB 1 13 VAL H . . 3.140 2.483 2.447 2.536 . 0 0 "[ . 1]" 1
363 1 13 VAL H 1 13 VAL HB . . 2.840 2.483 2.453 2.519 . 0 0 "[ . 1]" 1
364 1 13 VAL H 1 13 VAL MG2 . . 2.850 2.314 2.137 2.366 . 0 0 "[ . 1]" 1
365 1 14 TYR H 1 15 GLU H . . 3.380 2.746 2.741 2.751 . 0 0 "[ . 1]" 1
366 1 15 GLU H 1 22 GLN HE21 . . 5.110 4.692 4.206 5.007 . 0 0 "[ . 1]" 1
367 1 12 GLU H 1 15 GLU H . . 5.090 4.777 4.764 4.799 . 0 0 "[ . 1]" 1
368 1 14 TYR HD1 1 15 GLU H . . 4.650 3.954 3.845 4.029 . 0 0 "[ . 1]" 1
369 1 12 GLU HA 1 15 GLU H . . 3.880 3.771 3.752 3.793 . 0 0 "[ . 1]" 1
370 1 11 VAL HA 1 15 GLU H . . 4.270 3.851 3.810 3.916 . 0 0 "[ . 1]" 1
371 1 14 TYR HB3 1 15 GLU H . . 3.280 2.499 2.492 2.511 . 0 0 "[ . 1]" 1
372 1 14 TYR HB2 1 15 GLU H . . 3.650 3.550 3.509 3.602 . 0 0 "[ . 1]" 1
373 1 15 GLU H 1 15 GLU HG2 . . 3.310 2.982 2.952 3.034 . 0 0 "[ . 1]" 1
374 1 15 GLU H 1 15 GLU HG3 . . 3.520 2.709 2.684 2.731 . 0 0 "[ . 1]" 1
375 1 15 GLU H 1 15 GLU QB . . 2.750 2.398 2.386 2.413 . 0 0 "[ . 1]" 1
376 1 13 VAL MG1 1 15 GLU H . . 5.150 5.058 5.030 5.095 . 0 0 "[ . 1]" 1
377 1 14 TYR H 1 15 GLU HG3 . . 5.060 4.926 4.901 4.956 . 0 0 "[ . 1]" 1
378 1 14 TYR H 1 15 GLU HG2 . . 5.500 5.426 5.393 5.490 . 0 0 "[ . 1]" 1
379 1 15 GLU H 1 57 LEU MD2 . . 4.920 4.809 4.555 4.969 0.049 10 0 "[ . 1]" 1
380 1 40 MET HG3 1 41 ASP H . . 4.520 4.602 4.569 4.638 0.118 4 0 "[ . 1]" 1
381 1 40 MET HG2 1 41 ASP H . . 4.100 4.200 4.178 4.243 0.143 7 0 "[ . 1]" 1
382 1 15 GLU H 1 17 LEU H . . 4.210 4.279 4.270 4.285 0.075 4 0 "[ . 1]" 1
383 1 17 LEU H 1 22 GLN HE22 . . 4.490 4.141 3.812 4.382 . 0 0 "[ . 1]" 1
384 1 17 LEU H 1 22 GLN HE21 . . 4.340 2.833 2.495 3.252 . 0 0 "[ . 1]" 1
385 1 16 SER HB2 1 17 LEU H . . 4.510 4.338 3.967 4.510 . 0 0 "[ . 1]" 1
386 1 16 SER HB3 1 17 LEU H . . 4.510 4.070 3.921 4.380 . 0 0 "[ . 1]" 1
387 1 15 GLU HA 1 17 LEU H . . 3.740 3.447 3.431 3.463 . 0 0 "[ . 1]" 1
388 1 17 LEU H 1 22 GLN HG3 . . 4.900 4.105 3.970 4.367 . 0 0 "[ . 1]" 1
389 1 17 LEU H 1 18 PRO HD2 . . 4.820 4.785 4.777 4.793 . 0 0 "[ . 1]" 1
390 1 17 LEU H 1 17 LEU HB2 . . 3.030 2.386 2.356 2.427 . 0 0 "[ . 1]" 1
391 1 17 LEU H 1 22 GLN HG2 . . 4.900 4.374 4.271 4.423 . 0 0 "[ . 1]" 1
392 1 17 LEU H 1 17 LEU HB3 . . 3.740 3.467 3.410 3.631 . 0 0 "[ . 1]" 1
393 1 82 ALA HA 1 83 VAL H . . 3.010 2.655 2.144 2.861 . 0 0 "[ . 1]" 1
394 1 82 ALA MB 1 83 VAL H . . 4.060 2.504 1.938 3.690 . 0 0 "[ . 1]" 1
395 1 34 GLN H 1 34 GLN QB . . 2.790 2.383 2.239 2.642 . 0 0 "[ . 1]" 1
396 1 33 LEU HB2 1 34 GLN H . . 4.050 3.876 3.862 3.901 . 0 0 "[ . 1]" 1
397 1 33 LEU HG 1 34 GLN H . . 4.590 3.714 3.659 3.771 . 0 0 "[ . 1]" 1
398 1 34 GLN H 1 36 ALA MB . . 4.980 4.952 4.899 5.008 0.028 6 0 "[ . 1]" 1
399 1 33 LEU HB3 1 34 GLN H . . 3.170 2.549 2.533 2.573 . 0 0 "[ . 1]" 1
400 1 34 GLN H 1 34 GLN HG2 . . 3.630 3.220 2.141 3.539 . 0 0 "[ . 1]" 1
401 1 34 GLN H 1 34 GLN HG3 . . 3.630 2.613 2.176 3.579 . 0 0 "[ . 1]" 1
402 1 33 LEU MD1 1 34 GLN H . . 4.610 4.548 4.517 4.584 . 0 0 "[ . 1]" 1
403 1 33 LEU MD2 1 34 GLN H . . 4.610 4.104 4.042 4.167 . 0 0 "[ . 1]" 1
404 1 30 VAL HA 1 34 GLN H . . 4.120 4.195 4.179 4.260 0.140 7 0 "[ . 1]" 1
405 1 31 GLN HA 1 34 GLN H . . 3.760 3.618 3.612 3.624 . 0 0 "[ . 1]" 1
406 1 33 LEU H 1 34 GLN H . . 3.250 2.669 2.662 2.675 . 0 0 "[ . 1]" 1
407 1 17 LEU MD1 1 22 GLN HE21 . . 5.500 5.168 4.706 5.401 . 0 0 "[ . 1]" 1
408 1 17 LEU MD2 1 22 GLN HE21 . . 5.500 5.229 4.918 5.503 0.003 8 0 "[ . 1]" 1
409 1 17 LEU HB3 1 22 GLN HE21 . . 5.450 4.237 3.984 4.457 . 0 0 "[ . 1]" 1
410 1 17 LEU HB2 1 22 GLN HE21 . . 4.770 3.610 3.096 3.874 . 0 0 "[ . 1]" 1
411 1 15 GLU QB 1 22 GLN HE21 . . 5.110 4.469 4.255 4.662 . 0 0 "[ . 1]" 1
412 1 15 GLU QB 1 22 GLN HE22 . . 4.870 4.174 3.917 4.606 . 0 0 "[ . 1]" 1
413 1 22 GLN HE22 1 22 GLN HG3 . . 3.840 3.590 3.496 3.760 . 0 0 "[ . 1]" 1
414 1 17 LEU HB2 1 22 GLN HE22 . . 5.430 5.219 4.782 5.430 0.000 4 0 "[ . 1]" 1
415 1 22 GLN HE22 1 22 GLN HG2 . . 3.840 3.652 3.493 3.759 . 0 0 "[ . 1]" 1
416 1 15 GLU HA 1 22 GLN HE22 . . 3.690 2.532 2.152 3.120 . 0 0 "[ . 1]" 1
417 1 15 GLU HA 1 22 GLN HE21 . . 3.710 2.519 2.197 2.850 . 0 0 "[ . 1]" 1
418 1 30 VAL HB 1 31 GLN H . . 3.100 2.741 2.650 3.424 0.324 7 0 "[ . 1]" 1
419 1 31 GLN H 1 31 GLN QB . . 3.230 2.618 2.606 2.626 . 0 0 "[ . 1]" 1
420 1 31 GLN H 1 31 GLN QG . . 3.280 2.095 1.949 2.138 . 0 0 "[ . 1]" 1
421 1 29 ASP HA 1 31 GLN H . . 4.010 3.540 3.530 3.574 . 0 0 "[ . 1]" 1
422 1 31 GLN H 1 33 LEU H . . 4.110 4.116 4.109 4.134 0.024 7 0 "[ . 1]" 1
423 1 30 VAL H 1 31 GLN H . . 3.520 2.721 2.717 2.747 . 0 0 "[ . 1]" 1
424 1 50 GLN H 1 51 ARG H . . 3.210 2.622 2.608 2.661 . 0 0 "[ . 1]" 1
425 1 49 MET H 1 50 GLN H . . 3.230 2.633 2.618 2.652 . 0 0 "[ . 1]" 1
426 1 50 GLN H 1 53 ILE MD . . 4.440 3.934 3.557 4.178 . 0 0 "[ . 1]" 1
427 1 50 GLN H 1 53 ILE QG . . 5.140 5.084 4.967 5.107 . 0 0 "[ . 1]" 1
428 1 46 LYS HG3 1 50 GLN H . . 5.070 4.887 4.622 5.060 . 0 0 "[ . 1]" 1
429 1 46 LYS HG2 1 50 GLN H . . 5.070 4.476 4.319 4.543 . 0 0 "[ . 1]" 1
430 1 50 GLN H 1 51 ARG QB . . 4.760 4.561 4.537 4.614 . 0 0 "[ . 1]" 1
431 1 46 LYS HA 1 50 GLN H . . 3.970 3.943 3.841 3.998 0.028 3 0 "[ . 1]" 1
432 1 49 MET QG 1 50 GLN H . . 4.330 4.130 3.988 4.248 . 0 0 "[ . 1]" 1
433 1 50 GLN H 1 51 ARG HG2 . . 4.940 4.596 4.522 4.663 . 0 0 "[ . 1]" 1
434 1 50 GLN HA 1 50 GLN HE22 . . 5.080 3.529 3.245 3.976 . 0 0 "[ . 1]" 1
435 1 50 GLN HE22 1 53 ILE HB . . 4.740 4.240 3.794 4.736 . 0 0 "[ . 1]" 1
436 1 50 GLN HE22 1 53 ILE MD . . 4.890 3.821 3.046 4.479 . 0 0 "[ . 1]" 1
437 1 50 GLN HE21 1 53 ILE HB . . 4.740 4.242 3.447 4.617 . 0 0 "[ . 1]" 1
438 1 50 GLN HE21 1 53 ILE MD . . 4.890 3.767 2.390 4.876 . 0 0 "[ . 1]" 1
439 1 50 GLN HA 1 50 GLN HE21 . . 5.080 2.845 2.031 3.783 . 0 0 "[ . 1]" 1
440 1 48 HIS HA 1 51 ARG H . . 4.280 3.538 3.518 3.605 . 0 0 "[ . 1]" 1
441 1 13 VAL MG2 1 51 ARG H . . 5.500 5.156 5.029 5.261 . 0 0 "[ . 1]" 1
442 1 51 ARG H 1 53 ILE QG . . 5.500 5.361 5.262 5.409 . 0 0 "[ . 1]" 1
443 1 50 GLN QB 1 51 ARG H . . 3.670 2.771 2.744 2.799 . 0 0 "[ . 1]" 1
444 1 51 ARG H 1 51 ARG QB . . 3.150 2.308 2.286 2.342 . 0 0 "[ . 1]" 1
445 1 51 ARG H 1 51 ARG HG3 . . 3.980 3.851 3.760 3.892 . 0 0 "[ . 1]" 1
446 1 51 ARG H 1 51 ARG HG2 . . 3.470 2.552 2.460 2.618 . 0 0 "[ . 1]" 1
447 1 13 VAL MG1 1 51 ARG H . . 4.650 4.675 4.658 4.703 0.053 6 0 "[ . 1]" 1
448 1 51 ARG H 1 51 ARG QD . . 4.510 3.595 3.557 3.636 . 0 0 "[ . 1]" 1
449 1 42 PRO HD2 1 44 ASP H . . 4.610 4.188 4.141 4.234 . 0 0 "[ . 1]" 1
450 1 19 GLU H 1 19 GLU HG2 . . 5.190 3.328 2.082 4.659 . 0 0 "[ . 1]" 1
451 1 19 GLU H 1 19 GLU HG3 . . 5.190 3.090 2.074 4.180 . 0 0 "[ . 1]" 1
452 1 20 GLU H 1 21 LEU H . . 3.350 2.699 2.679 2.719 . 0 0 "[ . 1]" 1
453 1 20 GLU H 1 22 GLN H . . 4.580 4.202 4.143 4.257 . 0 0 "[ . 1]" 1
454 1 18 PRO HA 1 20 GLU H . . 4.570 4.118 4.075 4.166 . 0 0 "[ . 1]" 1
455 1 20 GLU H 1 21 LEU HA . . 5.320 5.304 5.287 5.320 . 10 0 "[ . 1]" 1
456 1 20 GLU H 1 20 GLU QG . . 3.460 2.340 1.883 2.818 . 0 0 "[ . 1]" 1
457 1 19 GLU H 1 20 GLU H . . 4.440 2.852 2.832 2.865 . 0 0 "[ . 1]" 1
458 1 58 TRP HE1 1 59 VAL H . . 5.180 4.663 4.349 4.916 . 0 0 "[ . 1]" 1
459 1 58 TRP HA 1 58 TRP HE1 . . 5.250 5.113 4.820 5.307 0.057 9 0 "[ . 1]" 1
460 1 30 VAL HA 1 58 TRP HE1 . . 4.870 2.968 2.827 3.223 . 0 0 "[ . 1]" 1
461 1 58 TRP HB3 1 58 TRP HE1 . . 5.080 4.959 4.751 5.275 0.195 5 0 "[ . 1]" 1
462 1 30 VAL HB 1 58 TRP HE1 . . 5.500 4.230 3.946 4.453 . 0 0 "[ . 1]" 1
463 1 30 VAL MG2 1 58 TRP HE1 . . 5.000 2.373 1.882 4.412 . 0 0 "[ . 1]" 1
464 1 33 LEU HB2 1 58 TRP HE1 . . 5.500 4.726 4.312 5.120 . 0 0 "[ . 1]" 1
465 1 33 LEU MD2 1 58 TRP HE1 . . 5.500 2.805 2.089 3.361 . 0 0 "[ . 1]" 1
466 1 33 LEU HB3 1 58 TRP HE1 . . 4.500 4.136 3.448 4.549 0.049 4 0 "[ . 1]" 1
467 1 53 ILE HA 1 58 TRP H . . 4.770 4.330 3.939 4.601 . 0 0 "[ . 1]" 1
468 1 52 CYS HA 1 58 TRP H . . 4.440 3.582 3.386 3.810 . 0 0 "[ . 1]" 1
469 1 52 CYS HB3 1 58 TRP H . . 4.530 3.436 2.211 4.589 0.059 2 0 "[ . 1]" 1
470 1 53 ILE QG 1 58 TRP H . . 5.500 5.069 4.726 5.271 . 0 0 "[ . 1]" 1
471 1 57 LEU HB3 1 58 TRP H . . 4.140 2.651 2.453 2.790 . 0 0 "[ . 1]" 1
472 1 57 LEU HG 1 58 TRP H . . 4.430 3.872 3.501 4.169 . 0 0 "[ . 1]" 1
473 1 57 LEU HB2 1 58 TRP H . . 4.140 3.890 3.697 4.072 . 0 0 "[ . 1]" 1
474 1 52 CYS HB2 1 58 TRP H . . 4.530 3.493 2.620 4.254 . 0 0 "[ . 1]" 1
475 1 58 TRP H 1 58 TRP HB2 . . 3.470 2.839 2.699 3.049 . 0 0 "[ . 1]" 1
476 1 58 TRP H 1 58 TRP HB3 . . 3.600 2.983 2.770 3.131 . 0 0 "[ . 1]" 1
477 1 57 LEU MD1 1 58 TRP H . . 4.530 4.462 4.260 4.613 0.083 5 0 "[ . 1]" 1
478 1 78 PRO QD 1 79 LEU H . . 3.940 2.927 2.602 3.348 . 0 0 "[ . 1]" 1
479 1 79 LEU H 1 80 LEU H . . 3.550 2.805 1.888 3.199 . 0 0 "[ . 1]" 1
480 1 78 PRO QB 1 79 LEU H . . 4.520 2.550 1.932 3.171 . 0 0 "[ . 1]" 1
481 1 78 PRO HG2 1 79 LEU H . . 4.170 1.939 1.744 2.323 . 0 0 "[ . 1]" 1
482 1 78 PRO HG3 1 79 LEU H . . 4.170 3.496 3.262 3.847 . 0 0 "[ . 1]" 1
483 1 79 LEU H 1 79 LEU QB . . 3.420 2.883 2.406 3.376 . 0 0 "[ . 1]" 1
484 1 79 LEU HA 1 80 LEU H . . 3.230 3.009 2.317 3.553 0.323 9 0 "[ . 1]" 1
485 1 80 LEU H 1 80 LEU HG . . 3.260 2.708 2.051 3.665 0.405 7 0 "[ . 1]" 1
486 1 80 LEU QB 1 81 GLU H . . 4.330 3.106 1.950 4.041 . 0 0 "[ . 1]" 1
487 1 81 GLU H 1 81 GLU HB3 . . 4.050 3.200 2.402 4.062 0.012 3 0 "[ . 1]" 1
488 1 81 GLU H 1 81 GLU HB2 . . 4.050 3.004 2.234 3.973 . 0 0 "[ . 1]" 1
489 1 80 LEU HA 1 81 GLU H . . 3.300 2.551 2.140 3.555 0.255 8 0 "[ . 1]" 1
490 1 68 LYS QB 1 69 GLU H . . 5.330 3.022 2.120 3.900 . 0 0 "[ . 1]" 1
491 1 9 ASP HA 1 11 VAL H . . 4.520 4.417 4.310 4.525 0.005 9 0 "[ . 1]" 1
492 1 9 ASP HB3 1 11 VAL H . . 4.930 2.815 2.695 2.986 . 0 0 "[ . 1]" 1
493 1 9 ASP HB2 1 11 VAL H . . 4.930 4.336 4.170 4.698 . 0 0 "[ . 1]" 1
494 1 11 VAL H 1 11 VAL HB . . 2.730 2.598 2.549 2.650 . 0 0 "[ . 1]" 1
495 1 10 PRO QG 1 11 VAL H . . 3.810 2.062 1.948 2.170 . 0 0 "[ . 1]" 1
496 1 11 VAL H 1 12 GLU H . . 2.930 2.655 2.617 2.727 . 0 0 "[ . 1]" 1
497 1 13 VAL H 1 14 TYR HB2 . . 4.870 4.675 4.647 4.716 . 0 0 "[ . 1]" 1
498 1 9 ASP HB3 1 13 VAL H . . 5.030 4.740 4.511 4.952 . 0 0 "[ . 1]" 1
499 1 9 ASP HB2 1 13 VAL H . . 5.030 4.790 4.669 5.007 . 0 0 "[ . 1]" 1
500 1 16 SER H 1 17 LEU HB2 . . 4.540 4.054 3.985 4.264 . 0 0 "[ . 1]" 1
501 1 13 VAL MG2 1 16 SER H . . 5.370 5.092 5.081 5.116 . 0 0 "[ . 1]" 1
502 1 15 GLU QB 1 16 SER H . . 3.330 3.011 3.006 3.020 . 0 0 "[ . 1]" 1
503 1 13 VAL HA 1 16 SER H . . 4.110 3.371 3.362 3.384 . 0 0 "[ . 1]" 1
504 1 16 SER H 1 16 SER HB2 . . 3.780 2.591 2.353 2.715 . 0 0 "[ . 1]" 1
505 1 16 SER H 1 16 SER HB3 . . 3.780 2.899 2.566 3.619 . 0 0 "[ . 1]" 1
506 1 14 TYR HB3 1 16 SER H . . 5.010 4.647 4.642 4.655 . 0 0 "[ . 1]" 1
507 1 15 GLU HG2 1 16 SER H . . 4.890 4.799 4.784 4.828 . 0 0 "[ . 1]" 1
508 1 15 GLU HG3 1 16 SER H . . 4.710 4.701 4.673 4.713 0.003 6 0 "[ . 1]" 1
509 1 16 SER H 1 17 LEU MD1 . . 5.500 3.831 3.595 4.709 . 0 0 "[ . 1]" 1
510 1 16 SER H 1 17 LEU MD2 . . 5.500 5.061 4.941 5.318 . 0 0 "[ . 1]" 1
511 1 16 SER H 1 17 LEU H . . 3.050 2.696 2.682 2.707 . 0 0 "[ . 1]" 1
512 1 15 GLU H 1 16 SER H . . 3.240 2.492 2.487 2.501 . 0 0 "[ . 1]" 1
513 1 14 TYR H 1 16 SER H . . 4.650 3.807 3.796 3.823 . 0 0 "[ . 1]" 1
514 1 16 SER H 1 17 LEU HA . . 5.140 4.964 4.945 4.979 . 0 0 "[ . 1]" 1
515 1 21 LEU HA 1 24 CYS H . . 4.090 3.387 3.365 3.424 . 0 0 "[ . 1]" 1
516 1 24 CYS H 1 24 CYS HB2 . . 3.470 2.295 2.264 2.315 . 0 0 "[ . 1]" 1
517 1 24 CYS H 1 24 CYS HB3 . . 3.740 2.802 2.778 2.848 . 0 0 "[ . 1]" 1
518 1 21 LEU H 1 21 LEU QB . . 3.240 2.072 2.026 2.129 . 0 0 "[ . 1]" 1
519 1 47 TYR H 1 47 TYR HD1 . . 5.030 4.950 4.864 4.998 . 0 0 "[ . 1]" 1
520 1 46 LYS QD 1 47 TYR H . . 4.750 4.695 4.571 4.747 . 0 0 "[ . 1]" 1
521 1 45 ALA MB 1 47 TYR H . . 4.710 4.456 4.439 4.465 . 0 0 "[ . 1]" 1
522 1 33 LEU H 1 33 LEU HB2 . . 3.060 2.559 2.534 2.584 . 0 0 "[ . 1]" 1
523 1 33 LEU H 1 33 LEU HB3 . . 3.060 2.454 2.430 2.479 . 0 0 "[ . 1]" 1
524 1 32 MET HB2 1 33 LEU H . . 3.780 3.681 3.492 3.723 . 0 0 "[ . 1]" 1
525 1 30 VAL HA 1 33 LEU H . . 3.680 3.267 3.197 3.300 . 0 0 "[ . 1]" 1
526 1 14 TYR H 1 14 TYR HD1 . . 5.070 4.934 4.866 4.980 . 0 0 "[ . 1]" 1
527 1 27 VAL MG2 1 28 LYS H . . 3.960 3.266 3.233 3.303 . 0 0 "[ . 1]" 1
528 1 28 LYS H 1 28 LYS QG . . 3.750 2.887 2.404 3.747 . 0 0 "[ . 1]" 1
529 1 28 LYS H 1 28 LYS QD . . 4.660 4.258 2.785 4.916 0.256 7 0 "[ . 1]" 1
530 1 28 LYS H 1 28 LYS HB3 . . 4.080 3.510 2.775 3.973 . 0 0 "[ . 1]" 1
531 1 28 LYS H 1 28 LYS HB2 . . 4.080 3.532 3.187 3.932 . 0 0 "[ . 1]" 1
532 1 27 VAL HB 1 28 LYS H . . 4.480 4.347 4.334 4.368 . 0 0 "[ . 1]" 1
533 1 28 LYS H 1 28 LYS QE . . 5.500 4.676 3.411 5.518 0.018 7 0 "[ . 1]" 1
534 1 27 VAL H 1 28 LYS H . . 3.250 2.662 2.636 2.694 . 0 0 "[ . 1]" 1
535 1 26 ASP H 1 28 LYS H . . 4.800 4.011 3.981 4.043 . 0 0 "[ . 1]" 1
536 1 31 GLN HA 1 31 GLN HE22 . . 5.340 4.845 3.790 5.324 . 0 0 "[ . 1]" 1
537 1 31 GLN QB 1 31 GLN HE22 . . 4.970 3.652 3.201 4.478 . 0 0 "[ . 1]" 1
538 1 31 GLN HA 1 31 GLN HE21 . . 5.340 3.847 3.005 4.508 . 0 0 "[ . 1]" 1
539 1 52 CYS HB2 1 53 ILE H . . 4.210 3.403 2.569 4.133 . 0 0 "[ . 1]" 1
540 1 53 ILE H 1 56 GLY H . . 5.470 4.600 4.443 4.760 . 0 0 "[ . 1]" 1
541 1 51 ARG H 1 53 ILE H . . 4.870 4.014 3.892 4.119 . 0 0 "[ . 1]" 1
542 1 53 ILE H 1 58 TRP H . . 5.150 5.044 4.648 5.200 0.050 5 0 "[ . 1]" 1
543 1 52 CYS H 1 52 CYS HB3 . . 3.700 2.882 2.075 3.593 . 0 0 "[ . 1]" 1
544 1 52 CYS H 1 52 CYS HB2 . . 3.700 2.914 2.225 3.546 . 0 0 "[ . 1]" 1
545 1 13 VAL MG1 1 52 CYS H . . 3.950 3.494 3.421 3.622 . 0 0 "[ . 1]" 1
546 1 49 MET HA 1 52 CYS H . . 3.720 3.452 3.400 3.497 . 0 0 "[ . 1]" 1
547 1 21 LEU MD1 1 22 GLN H . . 5.360 4.490 4.251 4.620 . 0 0 "[ . 1]" 1
548 1 21 LEU MD2 1 22 GLN H . . 5.360 4.328 4.173 4.575 . 0 0 "[ . 1]" 1
549 1 17 LEU HB3 1 22 GLN H . . 3.890 3.457 3.373 3.608 . 0 0 "[ . 1]" 1
550 1 21 LEU QB 1 22 GLN H . . 3.270 2.600 2.587 2.633 . 0 0 "[ . 1]" 1
551 1 32 MET QG 1 33 LEU H . . 4.710 4.355 4.298 4.599 . 0 0 "[ . 1]" 1
552 1 32 MET HB3 1 33 LEU H . . 3.600 2.761 2.739 2.891 . 0 0 "[ . 1]" 1
553 1 43 THR HB 1 45 ALA H . . 5.210 5.023 4.996 5.054 . 0 0 "[ . 1]" 1
554 1 44 ASP HB2 1 45 ALA H . . 3.460 3.082 2.859 3.390 . 0 0 "[ . 1]" 1
555 1 44 ASP HB3 1 45 ALA H . . 3.460 3.150 2.873 3.394 . 0 0 "[ . 1]" 1
556 1 40 MET HB2 1 45 ALA H . . 5.160 5.072 5.006 5.139 . 0 0 "[ . 1]" 1
557 1 40 MET HB3 1 45 ALA H . . 4.320 4.132 4.098 4.157 . 0 0 "[ . 1]" 1
558 1 45 ALA H 1 46 LYS QB . . 4.440 4.386 4.377 4.391 . 0 0 "[ . 1]" 1
559 1 40 MET H 1 40 MET HG2 . . 3.200 3.025 3.007 3.060 . 0 0 "[ . 1]" 1
560 1 31 GLN HA 1 34 GLN HE21 . . 5.250 3.484 2.708 4.947 . 0 0 "[ . 1]" 1
561 1 31 GLN HA 1 34 GLN HE22 . . 5.250 4.642 4.065 5.320 0.070 7 0 "[ . 1]" 1
562 1 30 VAL MG1 1 34 GLN HE21 . . 5.010 3.310 2.189 4.757 . 0 0 "[ . 1]" 1
563 1 30 VAL MG1 1 34 GLN HE22 . . 5.010 4.023 3.277 4.866 . 0 0 "[ . 1]" 1
564 1 49 MET HA 1 51 ARG H . . 4.960 4.250 4.198 4.311 . 0 0 "[ . 1]" 1
565 1 22 GLN QB 1 23 LYS H . . 3.150 2.628 2.580 2.654 . 0 0 "[ . 1]" 1
566 1 23 LYS H 1 24 CYS H . . 3.260 2.514 2.501 2.521 . 0 0 "[ . 1]" 1
567 1 21 LEU HA 1 23 LYS H . . 4.710 4.357 4.318 4.413 . 0 0 "[ . 1]" 1
568 1 23 LYS H 1 23 LYS QB . . 2.700 2.178 2.060 2.432 . 0 0 "[ . 1]" 1
569 1 22 GLN H 1 23 LYS H . . 3.190 2.673 2.653 2.686 . 0 0 "[ . 1]" 1
570 1 24 CYS H 1 25 PHE H . . 3.170 2.611 2.594 2.622 . 0 0 "[ . 1]" 1
571 1 22 GLN HA 1 25 PHE H . . 3.990 3.617 3.604 3.647 . 0 0 "[ . 1]" 1
572 1 25 PHE H 1 25 PHE HB3 . . 3.560 3.537 3.504 3.560 . 0 0 "[ . 1]" 1
573 1 25 PHE H 1 25 PHE HB2 . . 3.070 2.260 2.200 2.314 . 0 0 "[ . 1]" 1
574 1 24 CYS HB3 1 25 PHE H . . 3.940 2.617 2.598 2.640 . 0 0 "[ . 1]" 1
575 1 22 GLN QB 1 25 PHE H . . 5.130 4.999 4.983 5.009 . 0 0 "[ . 1]" 1
576 1 23 LYS QB 1 25 PHE H . . 5.480 5.174 5.088 5.229 . 0 0 "[ . 1]" 1
577 1 25 PHE H 1 33 LEU HB2 . . 5.500 5.551 5.515 5.598 0.098 7 0 "[ . 1]" 1
578 1 23 LYS HG3 1 25 PHE H . . 5.500 5.311 4.844 5.508 0.008 6 0 "[ . 1]" 1
579 1 21 LEU QB 1 25 PHE H . . 5.500 4.885 4.835 4.937 . 0 0 "[ . 1]" 1
580 1 23 LYS HG2 1 25 PHE H . . 5.500 4.926 4.794 5.315 . 0 0 "[ . 1]" 1
581 1 25 PHE H 1 33 LEU MD1 . . 5.500 4.524 4.429 4.585 . 0 0 "[ . 1]" 1
582 1 25 PHE H 1 26 ASP H . . 3.130 2.576 2.563 2.590 . 0 0 "[ . 1]" 1
583 1 26 ASP H 1 27 VAL H . . 3.260 2.678 2.675 2.681 . 0 0 "[ . 1]" 1
584 1 23 LYS HA 1 26 ASP H . . 3.990 3.444 3.409 3.507 . 0 0 "[ . 1]" 1
585 1 22 GLN HA 1 26 ASP H . . 4.490 4.402 4.265 4.519 0.029 3 0 "[ . 1]" 1
586 1 25 PHE HB3 1 26 ASP H . . 3.710 3.538 3.444 3.593 . 0 0 "[ . 1]" 1
587 1 25 PHE HB2 1 26 ASP H . . 3.560 2.867 2.818 2.911 . 0 0 "[ . 1]" 1
588 1 26 ASP H 1 26 ASP HB2 . . 3.620 2.160 2.067 2.486 . 0 0 "[ . 1]" 1
589 1 26 ASP H 1 26 ASP HB3 . . 3.620 3.175 2.576 3.535 . 0 0 "[ . 1]" 1
590 1 24 CYS HB3 1 26 ASP H . . 5.080 4.933 4.910 4.957 . 0 0 "[ . 1]" 1
591 1 23 LYS QB 1 26 ASP H . . 5.210 4.976 4.896 5.048 . 0 0 "[ . 1]" 1
592 1 26 ASP H 1 27 VAL MG2 . . 4.220 3.760 3.752 3.786 . 0 0 "[ . 1]" 1
593 1 38 SER H 1 40 MET H . . 4.170 4.018 3.892 4.155 . 0 0 "[ . 1]" 1
594 1 32 MET H 1 33 LEU H . . 3.140 2.583 2.578 2.590 . 0 0 "[ . 1]" 1
595 1 31 GLN QG 1 32 MET H . . 3.860 3.817 3.797 3.848 . 0 0 "[ . 1]" 1
596 1 31 GLN QB 1 32 MET H . . 2.790 2.521 2.507 2.531 . 0 0 "[ . 1]" 1
597 1 32 MET H 1 32 MET HB3 . . 3.080 2.836 2.795 3.047 . 0 0 "[ . 1]" 1
598 1 32 MET H 1 33 LEU HB3 . . 5.500 4.753 4.725 4.776 . 0 0 "[ . 1]" 1
599 1 32 MET H 1 33 LEU HB2 . . 5.170 4.963 4.928 4.986 . 0 0 "[ . 1]" 1
600 1 34 GLN HA 1 36 ALA H . . 4.820 4.333 4.274 4.386 . 0 0 "[ . 1]" 1
601 1 34 GLN QB 1 36 ALA H . . 4.970 4.799 4.772 4.825 . 0 0 "[ . 1]" 1
602 1 36 ALA H 1 37 ILE MD . . 4.660 4.368 3.819 4.703 0.043 9 0 "[ . 1]" 1
603 1 36 ALA H 1 36 ALA MB . . 2.550 2.091 2.024 2.156 . 0 0 "[ . 1]" 1
604 1 35 ASP HB3 1 36 ALA H . . 3.240 2.802 2.709 2.888 . 0 0 "[ . 1]" 1
605 1 36 ALA MB 1 37 ILE H . . 2.840 2.779 2.723 2.819 . 0 0 "[ . 1]" 1
606 1 37 ILE H 1 39 LYS QG . . 4.280 4.180 3.987 4.422 0.142 1 0 "[ . 1]" 1
607 1 37 ILE H 1 37 ILE MG . . 3.860 3.753 3.712 3.777 . 0 0 "[ . 1]" 1
608 1 37 ILE H 1 37 ILE MD . . 3.750 2.786 2.461 3.044 . 0 0 "[ . 1]" 1
609 1 37 ILE H 1 37 ILE HB . . 2.850 2.493 2.344 2.602 . 0 0 "[ . 1]" 1
610 1 33 LEU HA 1 37 ILE H . . 4.730 4.702 4.589 4.753 0.023 3 0 "[ . 1]" 1
611 1 35 ASP HA 1 37 ILE H . . 5.170 4.210 4.120 4.278 . 0 0 "[ . 1]" 1
612 1 37 ILE H 1 39 LYS H . . 4.700 4.000 3.953 4.050 . 0 0 "[ . 1]" 1
613 1 36 ALA H 1 37 ILE H . . 3.050 2.638 2.590 2.695 . 0 0 "[ . 1]" 1
614 1 37 ILE HB 1 38 SER H . . 3.220 2.691 2.659 2.756 . 0 0 "[ . 1]" 1
615 1 37 ILE MD 1 38 SER H . . 4.600 4.331 3.983 4.558 . 0 0 "[ . 1]" 1
616 1 37 ILE MG 1 38 SER H . . 3.810 3.507 3.266 3.677 . 0 0 "[ . 1]" 1
617 1 36 ALA MB 1 38 SER H . . 4.620 4.598 4.576 4.623 0.003 9 0 "[ . 1]" 1
618 1 35 ASP HB3 1 38 SER H . . 5.410 5.365 5.279 5.443 0.033 6 0 "[ . 1]" 1
619 1 38 SER H 1 38 SER QB . . 2.770 2.175 2.058 2.261 . 0 0 "[ . 1]" 1
620 1 38 SER H 1 39 LYS H . . 3.190 2.647 2.608 2.712 . 0 0 "[ . 1]" 1
621 1 37 ILE H 1 38 SER H . . 3.110 2.536 2.489 2.578 . 0 0 "[ . 1]" 1
622 1 38 SER QB 1 39 LYS H . . 3.760 2.851 2.736 2.981 . 0 0 "[ . 1]" 1
623 1 37 ILE HA 1 39 LYS H . . 4.380 4.002 3.793 4.167 . 0 0 "[ . 1]" 1
624 1 39 LYS H 1 39 LYS QE . . 5.390 4.597 4.473 4.701 . 0 0 "[ . 1]" 1
625 1 39 LYS H 1 40 MET HG2 . . 5.500 4.866 4.815 4.923 . 0 0 "[ . 1]" 1
626 1 39 LYS H 1 40 MET HG3 . . 5.500 5.494 5.455 5.516 0.016 5 0 "[ . 1]" 1
627 1 39 LYS H 1 40 MET HB2 . . 4.970 4.207 4.179 4.231 . 0 0 "[ . 1]" 1
628 1 39 LYS H 1 39 LYS QB . . 3.480 2.731 2.695 2.776 . 0 0 "[ . 1]" 1
629 1 39 LYS H 1 39 LYS QG . . 3.750 1.851 1.789 1.940 . 0 0 "[ . 1]" 1
630 1 36 ALA MB 1 39 LYS H . . 4.720 4.668 4.608 4.727 0.007 3 0 "[ . 1]" 1
631 1 37 ILE MG 1 39 LYS H . . 4.970 4.732 4.458 4.938 . 0 0 "[ . 1]" 1
632 1 47 TYR HE2 1 48 HIS H . . 5.500 5.231 5.052 5.525 0.025 9 0 "[ . 1]" 1
633 1 44 ASP HA 1 48 HIS H . . 4.280 4.310 4.286 4.333 0.053 9 0 "[ . 1]" 1
634 1 48 HIS H 1 49 MET HA . . 5.500 5.283 5.269 5.310 . 0 0 "[ . 1]" 1
635 1 45 ALA HA 1 48 HIS H . . 3.910 3.488 3.467 3.515 . 0 0 "[ . 1]" 1
636 1 48 HIS H 1 48 HIS QB . . 2.960 2.327 2.186 2.503 . 0 0 "[ . 1]" 1
637 1 47 TYR HB3 1 48 HIS H . . 3.140 2.685 2.631 2.715 . 0 0 "[ . 1]" 1
638 1 47 TYR HB2 1 48 HIS H . . 4.150 4.010 3.976 4.025 . 0 0 "[ . 1]" 1
639 1 48 HIS H 1 49 MET HB2 . . 5.020 4.779 4.689 4.900 . 0 0 "[ . 1]" 1
640 1 46 LYS QB 1 48 HIS H . . 5.190 4.906 4.873 4.926 . 0 0 "[ . 1]" 1
641 1 48 HIS H 1 51 ARG QB . . 5.170 5.130 5.009 5.221 0.051 2 0 "[ . 1]" 1
642 1 45 ALA MB 1 48 HIS H . . 4.890 4.655 4.643 4.669 . 0 0 "[ . 1]" 1
643 1 48 HIS H 1 49 MET QG . . 4.650 4.434 4.210 4.650 0.000 9 0 "[ . 1]" 1
644 1 48 HIS H 1 49 MET H . . 3.010 2.675 2.657 2.710 . 0 0 "[ . 1]" 1
645 1 49 MET H 1 51 ARG H . . 5.010 4.096 4.078 4.109 . 0 0 "[ . 1]" 1
646 1 46 LYS HA 1 49 MET H . . 4.000 3.625 3.584 3.650 . 0 0 "[ . 1]" 1
647 1 48 HIS QB 1 49 MET H . . 3.370 2.549 2.468 2.621 . 0 0 "[ . 1]" 1
648 1 49 MET H 1 49 MET QG . . 3.300 2.329 2.136 2.477 . 0 0 "[ . 1]" 1
649 1 49 MET H 1 49 MET HB2 . . 3.060 2.419 2.342 2.537 . 0 0 "[ . 1]" 1
650 1 49 MET H 1 49 MET HB3 . . 4.060 3.579 3.566 3.592 . 0 0 "[ . 1]" 1
651 1 49 MET H 1 49 MET ME . . 4.380 3.951 3.152 4.386 0.006 10 0 "[ . 1]" 1
652 1 49 MET H 1 51 ARG QB . . 5.260 5.046 5.013 5.074 . 0 0 "[ . 1]" 1
653 1 45 ALA MB 1 49 MET H . . 4.680 4.481 4.422 4.545 . 0 0 "[ . 1]" 1
654 1 37 ILE MG 1 49 MET H . . 5.500 5.299 5.002 5.538 0.038 1 0 "[ . 1]" 1
655 1 37 ILE MD 1 49 MET H . . 5.500 5.038 4.648 5.526 0.026 7 0 "[ . 1]" 1
656 1 49 MET H 1 53 ILE MD . . 5.500 5.128 4.900 5.320 . 0 0 "[ . 1]" 1
657 1 51 ARG H 1 52 CYS H . . 3.460 2.575 2.549 2.597 . 0 0 "[ . 1]" 1
658 1 57 LEU H 1 58 TRP H . . 3.050 2.447 2.333 2.556 . 0 0 "[ . 1]" 1
659 1 57 LEU H 1 57 LEU HB3 . . 2.990 2.472 2.272 2.637 . 0 0 "[ . 1]" 1
660 1 57 LEU H 1 57 LEU HB2 . . 2.990 2.625 2.415 2.922 . 0 0 "[ . 1]" 1
661 1 52 CYS HA 1 57 LEU H . . 3.920 3.091 2.913 3.197 . 0 0 "[ . 1]" 1
662 1 10 PRO HA 1 57 LEU H . . 4.500 4.323 4.059 4.499 . 0 0 "[ . 1]" 1
663 1 57 LEU H 1 57 LEU MD1 . . 4.210 4.078 3.870 4.237 0.027 7 0 "[ . 1]" 1
664 1 57 LEU H 1 57 LEU MD2 . . 4.390 4.222 4.199 4.239 . 0 0 "[ . 1]" 1
665 1 10 PRO QB 1 57 LEU H . . 4.330 4.235 4.055 4.349 0.019 8 0 "[ . 1]" 1
666 1 33 LEU H 1 35 ASP H . . 4.330 4.034 3.999 4.089 . 0 0 "[ . 1]" 1
667 1 48 HIS H 1 50 GLN QB . . 5.150 4.799 4.745 4.832 . 0 0 "[ . 1]" 1
668 1 27 VAL MG2 1 29 ASP H . . 3.390 1.909 1.899 1.920 . 0 0 "[ . 1]" 1
669 1 3 MET QG 1 4 GLY H . . 4.970 3.746 2.696 4.370 . 0 0 "[ . 1]" 1
670 1 4 GLY H 1 5 PRO QD . . 5.470 3.557 2.016 4.315 . 0 0 "[ . 1]" 1
671 1 40 MET H 1 40 MET HB3 . . 3.570 3.504 3.492 3.515 . 0 0 "[ . 1]" 1
672 1 40 MET H 1 40 MET HB2 . . 3.830 2.203 2.187 2.219 . 0 0 "[ . 1]" 1
673 1 39 LYS HD2 1 40 MET H . . 4.960 4.471 3.139 5.022 0.062 1 0 "[ . 1]" 1
674 1 39 LYS HD3 1 40 MET H . . 4.960 4.291 2.841 5.019 0.059 9 0 "[ . 1]" 1
675 1 24 CYS HA 1 29 ASP H . . 4.320 4.445 4.418 4.476 0.156 2 0 "[ . 1]" 1
676 1 18 PRO HA 1 21 LEU H . . 4.840 4.573 4.531 4.604 . 0 0 "[ . 1]" 1
677 1 18 PRO HD2 1 21 LEU H . . 4.760 3.748 3.714 3.793 . 0 0 "[ . 1]" 1
678 1 20 GLU QG 1 21 LEU H . . 4.320 3.460 1.881 4.282 . 0 0 "[ . 1]" 1
679 1 21 LEU H 1 22 GLN QB . . 4.840 4.599 4.521 4.677 . 0 0 "[ . 1]" 1
680 1 22 GLN QB 1 24 CYS H . . 5.250 4.619 4.551 4.665 . 0 0 "[ . 1]" 1
681 1 23 LYS QB 1 24 CYS H . . 3.530 3.355 3.135 3.535 0.005 3 0 "[ . 1]" 1
682 1 17 LEU HB3 1 21 LEU H . . 4.940 4.100 4.039 4.156 . 0 0 "[ . 1]" 1
683 1 24 CYS H 1 27 VAL MG2 . . 5.240 4.184 4.164 4.209 . 0 0 "[ . 1]" 1
684 1 56 GLY H 1 57 LEU H . . 3.130 2.774 2.643 2.835 . 0 0 "[ . 1]" 1
685 1 54 ASP H 1 56 GLY H . . 4.340 3.842 3.817 3.880 . 0 0 "[ . 1]" 1
686 1 35 ASP HB2 1 36 ALA H . . 3.470 3.386 3.252 3.498 0.028 7 0 "[ . 1]" 1
687 1 8 LEU H 1 8 LEU QB . . 3.390 2.342 2.286 2.493 . 0 0 "[ . 1]" 1
688 1 54 ASP HB3 1 55 SER H . . 4.110 3.903 3.586 4.106 . 0 0 "[ . 1]" 1
689 1 13 VAL MG2 1 55 SER H . . 4.090 3.695 3.622 3.809 . 0 0 "[ . 1]" 1
690 1 54 ASP HB2 1 55 SER H . . 4.110 3.054 2.910 3.974 . 0 0 "[ . 1]" 1
691 1 10 PRO QB 1 56 GLY H . . 5.500 5.457 5.296 5.538 0.038 2 0 "[ . 1]" 1
692 1 53 ILE H 1 55 SER H . . 4.640 3.824 3.724 3.878 . 0 0 "[ . 1]" 1
693 1 54 ASP H 1 55 SER H . . 3.470 2.545 2.502 2.579 . 0 0 "[ . 1]" 1
694 1 8 LEU QB 1 55 SER H . . 4.430 3.922 3.662 4.149 . 0 0 "[ . 1]" 1
695 1 13 VAL MG1 1 55 SER H . . 4.680 4.698 4.661 4.753 0.073 2 0 "[ . 1]" 1
696 1 51 ARG QB 1 55 SER H . . 5.280 4.807 4.755 4.887 . 0 0 "[ . 1]" 1
697 1 53 ILE HB 1 55 SER H . . 4.790 4.762 4.632 4.803 0.013 2 0 "[ . 1]" 1
698 1 54 ASP H 1 55 SER HA . . 5.250 5.199 5.158 5.231 . 0 0 "[ . 1]" 1
699 1 12 GLU H 1 14 TYR H . . 4.640 4.168 4.160 4.178 . 0 0 "[ . 1]" 1
700 1 14 TYR HB2 1 16 SER H . . 5.400 5.269 5.242 5.303 . 0 0 "[ . 1]" 1
701 1 14 TYR H 1 17 LEU H . . 5.500 5.548 5.543 5.556 0.056 4 0 "[ . 1]" 1
702 1 13 VAL HA 1 17 LEU H . . 5.290 5.277 5.249 5.296 0.006 5 0 "[ . 1]" 1
703 1 25 PHE H 1 33 LEU MD2 . . 5.500 5.416 5.294 5.571 0.071 6 0 "[ . 1]" 1
704 1 33 LEU MD1 1 58 TRP HE1 . . 5.500 5.213 4.711 5.527 0.027 9 0 "[ . 1]" 1
705 1 30 VAL MG1 1 58 TRP HE1 . . 4.450 2.215 1.865 2.701 . 0 0 "[ . 1]" 1
706 1 47 TYR HA 1 47 TYR HD1 . . 3.430 2.743 2.559 2.848 . 0 0 "[ . 1]" 1
707 1 47 TYR HB2 1 47 TYR HD1 . . 3.260 2.623 2.582 2.701 . 0 0 "[ . 1]" 1
708 1 14 TYR HA 1 14 TYR HD1 . . 3.560 3.291 3.198 3.355 . 0 0 "[ . 1]" 1
709 1 14 TYR HD1 1 15 GLU HA . . 3.820 3.467 3.314 3.579 . 0 0 "[ . 1]" 1
710 1 14 TYR HB3 1 14 TYR HD1 . . 3.240 2.656 2.607 2.730 . 0 0 "[ . 1]" 1
711 1 14 TYR HD1 1 15 GLU HG2 . . 3.860 3.862 3.832 3.881 0.021 6 0 "[ . 1]" 1
712 1 14 TYR HE1 1 22 GLN HA . . 3.550 2.528 2.432 2.588 . 0 0 "[ . 1]" 1
713 1 14 TYR HE1 1 22 GLN HG3 . . 4.900 3.898 3.756 4.067 . 0 0 "[ . 1]" 1
714 1 14 TYR HB3 1 14 TYR HE1 . . 4.900 4.801 4.773 4.843 . 0 0 "[ . 1]" 1
715 1 47 TYR HE1 1 51 ARG QD . . 3.860 3.467 2.625 3.866 0.006 6 0 "[ . 1]" 1
716 1 58 TRP HD1 1 59 VAL H . . 4.330 3.694 3.473 3.860 . 0 0 "[ . 1]" 1
717 1 58 TRP HB3 1 58 TRP HD1 . . 3.810 3.079 2.548 3.882 0.072 5 0 "[ . 1]" 1
718 1 30 VAL MG1 1 58 TRP HD1 . . 4.570 3.674 3.004 4.383 . 0 0 "[ . 1]" 1
719 1 25 PHE HZ 1 33 LEU MD2 . . 4.410 3.027 2.830 3.184 . 0 0 "[ . 1]" 1
720 1 25 PHE HZ 1 58 TRP HB3 . . 4.220 4.011 3.671 4.237 0.017 6 0 "[ . 1]" 1
721 1 25 PHE HA 1 25 PHE HD2 . . 4.460 4.415 4.158 4.520 0.060 2 0 "[ . 1]" 1
722 1 22 GLN HA 1 25 PHE HD2 . . 5.070 3.172 2.879 4.188 . 0 0 "[ . 1]" 1
723 1 25 PHE HB2 1 25 PHE HD2 . . 3.560 2.406 2.287 2.800 . 0 0 "[ . 1]" 1
724 1 25 PHE HB3 1 25 PHE HE2 . . 5.390 5.103 4.772 5.299 . 0 0 "[ . 1]" 1
725 1 25 PHE HD2 1 57 LEU HG . . 4.730 4.439 3.284 4.766 0.036 10 0 "[ . 1]" 1
726 1 25 PHE HD2 1 57 LEU MD2 . . 4.080 3.042 2.090 3.485 . 0 0 "[ . 1]" 1
727 1 25 PHE HE2 1 57 LEU HG . . 4.280 3.936 2.986 4.339 0.059 1 0 "[ . 1]" 1
728 1 25 PHE HE2 1 57 LEU MD2 . . 4.160 2.579 1.922 2.888 . 0 0 "[ . 1]" 1
729 1 14 TYR HE1 1 22 GLN HG2 . . 4.900 2.489 2.316 2.653 . 0 0 "[ . 1]" 1
730 1 30 VAL MG2 1 58 TRP HZ2 . . 5.430 3.184 1.966 4.813 . 0 0 "[ . 1]" 1
731 1 58 TRP HB2 1 58 TRP HE3 . . 4.000 3.358 2.887 4.016 0.016 8 0 "[ . 1]" 1
732 1 21 LEU QB 1 25 PHE HZ . . 5.500 5.289 4.936 5.556 0.056 10 0 "[ . 1]" 1
733 1 25 PHE HZ 1 57 LEU HG . . 4.660 4.063 2.705 4.693 0.033 7 0 "[ . 1]" 1
734 1 25 PHE HZ 1 33 LEU MD1 . . 4.410 3.626 3.366 3.974 . 0 0 "[ . 1]" 1
735 1 33 LEU HB3 1 58 TRP HD1 . . 5.500 5.324 5.097 5.521 0.021 8 0 "[ . 1]" 1
736 1 47 TYR HD1 1 48 HIS H . . 5.080 5.111 5.098 5.120 0.040 7 0 "[ . 1]" 1
737 1 47 TYR HB2 1 47 TYR HE1 . . 5.030 4.782 4.760 4.826 . 0 0 "[ . 1]" 1
738 1 47 TYR HE1 1 51 ARG HG2 . . 4.650 3.345 3.195 3.464 . 0 0 "[ . 1]" 1
739 1 6 GLY QA 1 54 ASP QB . . 4.090 3.581 2.644 4.049 . 0 0 "[ . 1]" 1
740 1 7 GLY QA 1 8 LEU QD . . 3.650 3.409 2.976 3.655 0.005 7 0 "[ . 1]" 1
741 1 7 GLY QA 1 54 ASP QB . . 5.270 5.272 5.208 5.289 0.019 3 0 "[ . 1]" 1
742 1 8 LEU H 1 8 LEU QD . . 4.380 2.627 2.074 2.889 . 0 0 "[ . 1]" 1
743 1 8 LEU H 1 54 ASP QB . . 4.880 3.658 3.377 3.869 . 0 0 "[ . 1]" 1
744 1 8 LEU HA 1 8 LEU QD . . 3.010 2.226 1.936 3.035 0.025 3 0 "[ . 1]" 1
745 1 8 LEU QB 1 54 ASP QB . . 4.730 2.560 2.308 2.897 . 0 0 "[ . 1]" 1
746 1 8 LEU QB 1 55 SER QB . . 3.500 2.781 2.333 3.396 . 0 0 "[ . 1]" 1
747 1 8 LEU HG 1 55 SER QB . . 5.110 4.634 4.140 5.143 0.033 3 0 "[ . 1]" 1
748 1 8 LEU QD 1 9 ASP H . . 4.510 2.969 2.504 4.114 . 0 0 "[ . 1]" 1
749 1 8 LEU QD 1 51 ARG QD . . 4.760 2.930 1.914 3.650 . 0 0 "[ . 1]" 1
750 1 8 LEU QD 1 54 ASP QB . . 3.900 2.936 1.776 3.526 . 0 0 "[ . 1]" 1
751 1 8 LEU QD 1 55 SER QB . . 5.280 3.831 3.212 4.654 . 0 0 "[ . 1]" 1
752 1 9 ASP H 1 9 ASP QB . . 2.910 2.225 2.156 2.294 . 0 0 "[ . 1]" 1
753 1 9 ASP H 1 10 PRO QD . . 4.490 4.378 4.376 4.379 . 0 0 "[ . 1]" 1
754 1 9 ASP HA 1 10 PRO QD . . 2.880 2.110 2.091 2.128 . 0 0 "[ . 1]" 1
755 1 9 ASP QB 1 10 PRO QD . . 3.990 2.158 2.009 2.395 . 0 0 "[ . 1]" 1
756 1 9 ASP QB 1 11 VAL H . . 4.190 2.781 2.663 2.953 . 0 0 "[ . 1]" 1
757 1 9 ASP QB 1 12 GLU H . . 3.660 2.587 2.458 2.687 . 0 0 "[ . 1]" 1
758 1 9 ASP QB 1 13 VAL H . . 4.260 4.236 4.156 4.277 0.017 5 0 "[ . 1]" 1
759 1 10 PRO HA 1 55 SER QB . . 3.850 2.092 1.974 2.318 . 0 0 "[ . 1]" 1
760 1 10 PRO HA 1 57 LEU QB . . 4.130 2.773 2.152 3.163 . 0 0 "[ . 1]" 1
761 1 10 PRO QB 1 55 SER QB . . 4.320 3.519 3.202 3.769 . 0 0 "[ . 1]" 1
762 1 10 PRO QD 1 11 VAL H . . 3.860 2.642 2.614 2.681 . 0 0 "[ . 1]" 1
763 1 11 VAL H 1 11 VAL QG . . 2.900 2.045 1.911 2.257 . 0 0 "[ . 1]" 1
764 1 11 VAL HA 1 11 VAL QG . . 2.890 2.163 2.051 2.323 . 0 0 "[ . 1]" 1
765 1 11 VAL QG 1 12 GLU H . . 3.690 2.780 2.039 3.287 . 0 0 "[ . 1]" 1
766 1 11 VAL QG 1 14 TYR HB2 . . 4.980 4.249 4.133 4.398 . 0 0 "[ . 1]" 1
767 1 11 VAL QG 1 14 TYR HB3 . . 4.850 3.611 3.552 3.687 . 0 0 "[ . 1]" 1
768 1 11 VAL QG 1 15 GLU H . . 4.230 3.676 3.510 3.779 . 0 0 "[ . 1]" 1
769 1 11 VAL QG 1 15 GLU HG2 . . 4.200 3.308 3.144 3.414 . 0 0 "[ . 1]" 1
770 1 11 VAL QG 1 15 GLU HG3 . . 4.430 2.146 1.980 2.270 . 0 0 "[ . 1]" 1
771 1 13 VAL HB 1 55 SER QB . . 4.530 3.069 2.946 3.191 . 0 0 "[ . 1]" 1
772 1 13 VAL HB 1 57 LEU QB . . 4.560 3.332 3.155 3.501 . 0 0 "[ . 1]" 1
773 1 13 VAL MG1 1 55 SER QB . . 4.270 3.391 3.235 3.603 . 0 0 "[ . 1]" 1
774 1 13 VAL MG1 1 57 LEU QB . . 3.960 3.259 3.118 3.370 . 0 0 "[ . 1]" 1
775 1 13 VAL MG2 1 52 CYS QB . . 5.340 4.930 4.652 5.269 . 0 0 "[ . 1]" 1
776 1 13 VAL MG2 1 55 SER QB . . 3.200 1.830 1.770 1.967 . 0 0 "[ . 1]" 1
777 1 14 TYR HA 1 17 LEU QD . . 3.310 2.722 2.399 2.864 . 0 0 "[ . 1]" 1
778 1 14 TYR HB2 1 17 LEU QD . . 4.890 4.557 4.311 4.685 . 0 0 "[ . 1]" 1
779 1 14 TYR HD1 1 17 LEU QD . . 4.810 4.666 4.484 4.832 0.022 2 0 "[ . 1]" 1
780 1 14 TYR HD1 1 22 GLN QG . . 4.040 2.320 2.105 2.658 . 0 0 "[ . 1]" 1
781 1 14 TYR HE1 1 22 GLN QG . . 4.050 2.461 2.296 2.620 . 0 0 "[ . 1]" 1
782 1 15 GLU H 1 16 SER QB . . 4.790 4.332 4.279 4.464 . 0 0 "[ . 1]" 1
783 1 16 SER H 1 16 SER QB . . 3.140 2.345 2.324 2.357 . 0 0 "[ . 1]" 1
784 1 16 SER QB 1 17 LEU H . . 3.950 3.698 3.687 3.714 . 0 0 "[ . 1]" 1
785 1 17 LEU H 1 17 LEU QD . . 4.040 3.102 2.946 3.648 . 0 0 "[ . 1]" 1
786 1 17 LEU H 1 22 GLN QG . . 4.070 3.760 3.673 3.849 . 0 0 "[ . 1]" 1
787 1 17 LEU HA 1 17 LEU QD . . 3.030 2.157 1.961 2.252 . 0 0 "[ . 1]" 1
788 1 17 LEU HA 1 18 PRO QG . . 4.370 4.054 4.036 4.070 . 0 0 "[ . 1]" 1
789 1 17 LEU HA 1 22 GLN QG . . 5.340 4.820 4.710 4.913 . 0 0 "[ . 1]" 1
790 1 17 LEU HB2 1 22 GLN QG . . 4.130 3.080 2.700 3.229 . 0 0 "[ . 1]" 1
791 1 17 LEU HB3 1 22 GLN QG . . 3.940 3.006 2.725 3.199 . 0 0 "[ . 1]" 1
792 1 17 LEU QD 1 18 PRO HD2 . . 3.200 2.774 1.917 2.995 . 0 0 "[ . 1]" 1
793 1 17 LEU QD 1 21 LEU H . . 5.040 4.658 4.449 4.739 . 0 0 "[ . 1]" 1
794 1 17 LEU QD 1 21 LEU QB . . 3.970 2.033 1.913 2.230 . 0 0 "[ . 1]" 1
795 1 17 LEU QD 1 22 GLN H . . 4.210 4.142 4.115 4.174 . 0 0 "[ . 1]" 1
796 1 17 LEU QD 1 22 GLN HA . . 4.010 4.025 3.863 4.075 0.065 4 0 "[ . 1]" 1
797 1 17 LEU QD 1 22 GLN QG . . 3.900 3.573 3.425 3.628 . 0 0 "[ . 1]" 1
798 1 17 LEU QD 1 25 PHE H . . 5.440 5.334 5.259 5.376 . 0 0 "[ . 1]" 1
799 1 17 LEU QD 1 25 PHE HD2 . . 3.860 3.158 2.866 3.573 . 0 0 "[ . 1]" 1
800 1 17 LEU QD 1 25 PHE HE2 . . 3.930 2.176 1.967 2.627 . 0 0 "[ . 1]" 1
801 1 18 PRO QB 1 20 GLU H . . 4.310 2.483 2.426 2.531 . 0 0 "[ . 1]" 1
802 1 18 PRO QB 1 21 LEU H . . 4.510 3.067 3.006 3.151 . 0 0 "[ . 1]" 1
803 1 18 PRO QB 1 21 LEU QD . . 4.310 3.635 3.444 3.926 . 0 0 "[ . 1]" 1
804 1 18 PRO QG 1 21 LEU QD . . 3.400 2.031 1.906 2.308 . 0 0 "[ . 1]" 1
805 1 18 PRO HD2 1 21 LEU QD . . 3.580 3.016 2.918 3.195 . 0 0 "[ . 1]" 1
806 1 19 GLU HA 1 19 GLU QG . . 3.640 2.419 2.145 3.089 . 0 0 "[ . 1]" 1
807 1 19 GLU QB 1 20 GLU H . . 2.800 2.686 2.613 2.764 . 0 0 "[ . 1]" 1
808 1 20 GLU H 1 21 LEU QD . . 5.110 4.343 4.055 4.760 . 0 0 "[ . 1]" 1
809 1 21 LEU H 1 21 LEU QD . . 3.770 2.432 2.190 2.849 . 0 0 "[ . 1]" 1
810 1 21 LEU HA 1 21 LEU QD . . 3.210 1.984 1.884 2.057 . 0 0 "[ . 1]" 1
811 1 21 LEU QD 1 22 GLN H . . 4.570 3.912 3.882 3.941 . 0 0 "[ . 1]" 1
812 1 21 LEU QD 1 24 CYS HB2 . . 4.780 3.643 3.519 3.744 . 0 0 "[ . 1]" 1
813 1 21 LEU QD 1 25 PHE H . . 5.440 4.290 3.733 4.534 . 0 0 "[ . 1]" 1
814 1 21 LEU QD 1 25 PHE HE2 . . 4.510 2.782 2.379 3.483 . 0 0 "[ . 1]" 1
815 1 21 LEU QD 1 25 PHE HZ . . 4.390 3.289 2.522 3.976 . 0 0 "[ . 1]" 1
816 1 21 LEU QD 1 48 HIS HA . . 5.180 5.252 5.226 5.292 0.112 10 0 "[ . 1]" 1
817 1 21 LEU QD 1 48 HIS QB . . 3.920 3.630 3.376 3.921 0.001 8 0 "[ . 1]" 1
818 1 22 GLN H 1 22 GLN QG . . 3.270 2.336 2.217 2.470 . 0 0 "[ . 1]" 1
819 1 22 GLN HA 1 22 GLN QG . . 3.110 2.344 2.260 2.448 . 0 0 "[ . 1]" 1
820 1 22 GLN QG 1 23 LYS H . . 5.170 4.135 4.018 4.171 . 0 0 "[ . 1]" 1
821 1 23 LYS H 1 23 LYS QG . . 3.340 2.914 2.293 3.374 0.034 6 0 "[ . 1]" 1
822 1 23 LYS QG 1 24 CYS H . . 3.390 2.297 2.246 2.525 . 0 0 "[ . 1]" 1
823 1 24 CYS HB2 1 33 LEU QD . . 4.080 3.440 3.377 3.492 . 0 0 "[ . 1]" 1
824 1 24 CYS HB3 1 33 LEU QD . . 4.150 2.594 2.556 2.664 . 0 0 "[ . 1]" 1
825 1 25 PHE HZ 1 33 LEU QD . . 3.770 2.881 2.708 3.005 . 0 0 "[ . 1]" 1
826 1 25 PHE HZ 1 52 CYS QB . . 5.180 3.582 3.247 4.114 . 0 0 "[ . 1]" 1
827 1 26 ASP H 1 26 ASP QB . . 2.910 2.110 2.046 2.252 . 0 0 "[ . 1]" 1
828 1 26 ASP QB 1 27 VAL H . . 3.440 2.723 2.630 2.771 . 0 0 "[ . 1]" 1
829 1 26 ASP QB 1 27 VAL MG1 . . 4.050 3.044 2.922 3.238 . 0 0 "[ . 1]" 1
830 1 26 ASP QB 1 27 VAL MG2 . . 4.030 3.750 3.666 3.792 . 0 0 "[ . 1]" 1
831 1 26 ASP QB 1 28 LYS H . . 4.980 4.343 4.322 4.413 . 0 0 "[ . 1]" 1
832 1 30 VAL HA 1 33 LEU QD . . 4.140 3.195 3.041 3.267 . 0 0 "[ . 1]" 1
833 1 30 VAL MG1 1 34 GLN QG . . 5.050 2.712 2.366 4.690 . 0 0 "[ . 1]" 1
834 1 30 VAL MG1 1 34 GLN QE . . 4.290 3.113 2.172 4.078 . 0 0 "[ . 1]" 1
835 1 30 VAL MG2 1 33 LEU QD . . 5.440 3.915 3.588 4.883 . 0 0 "[ . 1]" 1
836 1 31 GLN HA 1 34 GLN QG . . 4.560 3.273 2.301 3.521 . 0 0 "[ . 1]" 1
837 1 31 GLN HA 1 34 GLN QE . . 4.610 3.318 2.676 4.224 . 0 0 "[ . 1]" 1
838 1 32 MET HB3 1 33 LEU QD . . 5.440 4.882 4.813 4.949 . 0 0 "[ . 1]" 1
839 1 32 MET ME 1 33 LEU QD . . 4.460 3.835 3.760 3.927 . 0 0 "[ . 1]" 1
840 1 33 LEU H 1 33 LEU QD . . 3.850 3.704 3.668 3.730 . 0 0 "[ . 1]" 1
841 1 33 LEU HA 1 33 LEU QD . . 3.150 2.301 2.216 2.370 . 0 0 "[ . 1]" 1
842 1 33 LEU HB3 1 34 GLN QG . . 4.580 3.575 3.324 3.945 . 0 0 "[ . 1]" 1
843 1 33 LEU HG 1 34 GLN QG . . 5.340 4.236 4.028 4.982 . 0 0 "[ . 1]" 1
844 1 33 LEU QD 1 34 GLN H . . 3.960 3.819 3.778 3.860 . 0 0 "[ . 1]" 1
845 1 33 LEU QD 1 36 ALA H . . 4.770 4.429 4.223 4.528 . 0 0 "[ . 1]" 1
846 1 33 LEU QD 1 36 ALA MB . . 3.840 3.025 2.803 3.173 . 0 0 "[ . 1]" 1
847 1 33 LEU QD 1 37 ILE H . . 4.470 4.434 4.224 4.516 0.046 4 0 "[ . 1]" 1
848 1 33 LEU QD 1 37 ILE QG . . 4.000 3.472 3.031 3.860 . 0 0 "[ . 1]" 1
849 1 33 LEU QD 1 37 ILE MD . . 3.520 2.809 2.406 3.149 . 0 0 "[ . 1]" 1
850 1 33 LEU QD 1 58 TRP HE1 . . 4.170 2.792 2.087 3.333 . 0 0 "[ . 1]" 1
851 1 34 GLN H 1 34 GLN QG . . 3.100 2.398 2.125 2.723 . 0 0 "[ . 1]" 1
852 1 34 GLN HA 1 34 GLN QG . . 3.650 2.377 2.133 3.196 . 0 0 "[ . 1]" 1
853 1 36 ALA HA 1 39 LYS QD . . 3.720 2.257 2.017 2.716 . 0 0 "[ . 1]" 1
854 1 37 ILE H 1 37 ILE QG . . 3.110 2.459 2.088 2.985 . 0 0 "[ . 1]" 1
855 1 37 ILE HA 1 37 ILE QG . . 3.420 2.684 2.151 3.041 . 0 0 "[ . 1]" 1
856 1 37 ILE QG 1 49 MET QG . . 4.580 3.519 3.034 3.873 . 0 0 "[ . 1]" 1
857 1 37 ILE QG 1 49 MET ME . . 3.070 2.231 1.917 2.533 . 0 0 "[ . 1]" 1
858 1 38 SER H 1 39 LYS QD . . 5.340 5.274 5.141 5.362 0.022 3 0 "[ . 1]" 1
859 1 39 LYS H 1 39 LYS QD . . 4.120 3.631 3.540 3.744 . 0 0 "[ . 1]" 1
860 1 39 LYS QD 1 40 MET H . . 4.280 3.890 2.689 4.473 0.193 1 0 "[ . 1]" 1
861 1 42 PRO QG 1 43 THR H . . 3.810 2.065 2.018 2.110 . 0 0 "[ . 1]" 1
862 1 44 ASP H 1 44 ASP QB . . 2.840 2.100 2.053 2.182 . 0 0 "[ . 1]" 1
863 1 44 ASP QB 1 45 ALA H . . 3.010 2.744 2.717 2.772 . 0 0 "[ . 1]" 1
864 1 44 ASP QB 1 45 ALA MB . . 4.340 3.889 3.842 3.917 . 0 0 "[ . 1]" 1
865 1 44 ASP QB 1 46 LYS H . . 5.340 4.769 4.762 4.774 . 0 0 "[ . 1]" 1
866 1 46 LYS QG 1 50 GLN H . . 4.330 4.137 4.064 4.210 . 0 0 "[ . 1]" 1
867 1 49 MET HA 1 52 CYS QB . . 3.800 2.919 2.592 3.290 . 0 0 "[ . 1]" 1
868 1 50 GLN H 1 50 GLN QG . . 3.610 2.973 2.699 3.912 0.302 10 0 "[ . 1]" 1
869 1 50 GLN HA 1 50 GLN QE . . 4.380 2.694 2.023 3.449 . 0 0 "[ . 1]" 1
870 1 50 GLN QE 1 50 GLN QG . . 3.100 2.371 2.068 2.573 . 0 0 "[ . 1]" 1
871 1 50 GLN QG 1 51 ARG H . . 4.730 4.323 3.314 4.496 . 0 0 "[ . 1]" 1
872 1 50 GLN QE 1 53 ILE HB . . 4.140 3.711 3.368 3.935 . 0 0 "[ . 1]" 1
873 1 50 GLN QE 1 53 ILE MG . . 3.980 3.822 3.461 3.983 0.003 3 0 "[ . 1]" 1
874 1 50 GLN QE 1 53 ILE QG . . 5.340 4.975 4.274 5.356 0.016 10 0 "[ . 1]" 1
875 1 50 GLN QE 1 53 ILE MD . . 4.160 3.277 2.308 4.141 . 0 0 "[ . 1]" 1
876 1 51 ARG HA 1 54 ASP QB . . 3.920 2.983 2.698 4.110 0.190 9 0 "[ . 1]" 1
877 1 52 CYS H 1 52 CYS QB . . 3.110 2.280 2.050 2.501 . 0 0 "[ . 1]" 1
878 1 52 CYS HA 1 57 LEU QB . . 3.730 2.556 2.175 2.801 . 0 0 "[ . 1]" 1
879 1 52 CYS QB 1 53 ILE H . . 3.590 2.947 2.521 3.488 . 0 0 "[ . 1]" 1
880 1 52 CYS QB 1 53 ILE QG . . 4.750 3.535 2.957 4.242 . 0 0 "[ . 1]" 1
881 1 52 CYS QB 1 57 LEU H . . 4.600 3.804 3.539 4.205 . 0 0 "[ . 1]" 1
882 1 52 CYS QB 1 57 LEU QB . . 4.560 2.911 2.600 3.541 . 0 0 "[ . 1]" 1
883 1 52 CYS QB 1 57 LEU HG . . 4.520 4.343 3.994 4.550 0.030 4 0 "[ . 1]" 1
884 1 52 CYS QB 1 58 TRP H . . 3.760 2.663 2.197 3.382 . 0 0 "[ . 1]" 1
885 1 52 CYS QB 1 58 TRP HB2 . . 3.730 2.734 2.289 3.301 . 0 0 "[ . 1]" 1
886 1 52 CYS QB 1 58 TRP HB3 . . 4.750 2.722 1.966 3.740 . 0 0 "[ . 1]" 1
887 1 53 ILE QG 1 60 PRO QD . . 3.820 2.993 2.654 3.188 . 0 0 "[ . 1]" 1
888 1 53 ILE MD 1 60 PRO QD . . 4.510 4.178 3.913 4.323 . 0 0 "[ . 1]" 1
889 1 54 ASP H 1 54 ASP QB . . 2.970 2.431 2.169 2.563 . 0 0 "[ . 1]" 1
890 1 54 ASP QB 1 55 SER H . . 3.480 2.936 2.833 3.596 0.116 9 0 "[ . 1]" 1
891 1 55 SER H 1 55 SER QB . . 3.650 2.476 2.280 2.696 . 0 0 "[ . 1]" 1
892 1 55 SER H 1 57 LEU QB . . 5.340 4.597 4.413 4.755 . 0 0 "[ . 1]" 1
893 1 55 SER QB 1 57 LEU H . . 4.090 3.701 3.032 3.841 . 0 0 "[ . 1]" 1
894 1 56 GLY H 1 57 LEU QB . . 5.340 4.486 4.378 4.540 . 0 0 "[ . 1]" 1
895 1 56 GLY QA 1 58 TRP H . . 4.700 3.697 3.594 3.847 . 0 0 "[ . 1]" 1
896 1 56 GLY QA 1 59 VAL QG . . 4.410 4.231 4.067 4.542 0.132 8 0 "[ . 1]" 1
897 1 57 LEU QB 1 58 TRP H . . 3.450 2.609 2.421 2.745 . 0 0 "[ . 1]" 1
898 1 58 TRP H 1 59 VAL QG . . 4.790 4.491 4.326 4.789 . 0 0 "[ . 1]" 1
899 1 58 TRP H 1 60 PRO QD . . 4.840 4.366 3.938 4.913 0.073 8 0 "[ . 1]" 1
900 1 58 TRP HA 1 59 VAL QG . . 4.380 3.456 3.307 3.637 . 0 0 "[ . 1]" 1
901 1 59 VAL H 1 59 VAL QG . . 3.670 2.562 2.469 2.667 . 0 0 "[ . 1]" 1
902 1 59 VAL H 1 60 PRO QD . . 4.280 3.668 3.270 4.221 . 0 0 "[ . 1]" 1
903 1 59 VAL HB 1 60 PRO QD . . 4.510 4.267 4.070 4.374 . 0 0 "[ . 1]" 1
904 1 59 VAL QG 1 60 PRO QD . . 3.690 2.800 2.155 3.191 . 0 0 "[ . 1]" 1
905 1 78 PRO QG 1 79 LEU H . . 3.610 1.929 1.738 2.305 . 0 0 "[ . 1]" 1
906 1 79 LEU H 1 79 LEU QD . . 4.500 3.514 2.707 4.156 . 0 0 "[ . 1]" 1
907 1 79 LEU HA 1 79 LEU QD . . 3.770 2.710 2.225 3.034 . 0 0 "[ . 1]" 1
908 1 79 LEU QD 1 80 LEU H . . 5.300 3.909 2.690 4.634 . 0 0 "[ . 1]" 1
909 1 81 GLU H 1 81 GLU QB . . 3.410 2.578 2.194 3.089 . 0 0 "[ . 1]" 1
910 1 83 VAL H 1 83 VAL QG . . 3.550 2.352 1.989 2.783 . 0 0 "[ . 1]" 1
911 1 83 VAL HA 1 84 PRO QD . . 2.930 2.026 1.938 2.109 . 0 0 "[ . 1]" 1
912 1 83 VAL QG 1 84 PRO QD . . 4.270 2.738 1.888 3.411 . 0 0 "[ . 1]" 1
913 1 92 VAL QG 1 93 SER H . . 4.780 2.837 2.034 3.405 . 0 0 "[ . 1]" 1
914 1 94 VAL H 1 94 VAL QG . . 3.580 2.327 2.016 2.657 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 440
_Distance_constraint_stats_list.Viol_total 1743.984
_Distance_constraint_stats_list.Viol_max 1.105
_Distance_constraint_stats_list.Viol_rms 0.1992
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3964
_Distance_constraint_stats_list.Viol_average_violations_only 0.3964
_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 11 VAL 3.166 0.219 5 0 "[ . 1]"
1 12 GLU 6.565 0.495 5 0 "[ . 1]"
1 15 GLU 3.166 0.219 5 0 "[ . 1]"
1 16 SER 6.565 0.495 5 0 "[ . 1]"
1 19 GLU 3.665 0.238 1 0 "[ . 1]"
1 20 GLU 5.222 0.378 8 0 "[ . 1]"
1 21 LEU 6.299 0.374 8 0 "[ . 1]"
1 22 GLN 10.827 0.623 3 8 "[*-+** ***]"
1 23 LYS 17.066 0.714 6 10 [*****+*-**]
1 24 CYS 5.222 0.378 8 0 "[ . 1]"
1 25 PHE 6.299 0.374 8 0 "[ . 1]"
1 26 ASP 10.827 0.623 3 8 "[*-+** ***]"
1 27 VAL 13.402 0.714 6 10 [*****+*-**]
1 30 VAL 4.896 0.278 1 0 "[ . 1]"
1 31 GLN 14.159 0.984 7 10 [-*****+***]
1 32 MET 13.408 0.875 6 9 "[ **-*+****]"
1 33 LEU 12.379 0.712 1 9 "[+**** -***]"
1 34 GLN 12.971 0.651 4 4 "[** +. -1]"
1 35 ASP 27.179 1.105 9 10 [********+-]
1 36 ALA 13.408 0.875 6 9 "[ **-*+****]"
1 37 ILE 12.379 0.712 1 9 "[+**** -***]"
1 38 SER 8.075 0.651 4 4 "[** +. -1]"
1 39 LYS 13.019 1.105 9 7 "[** ** * +-]"
1 43 THR 10.501 0.594 4 7 "[**-+* **]"
1 44 ASP 7.917 0.442 8 0 "[ . 1]"
1 45 ALA 4.100 0.314 9 0 "[ . 1]"
1 46 LYS 4.720 0.301 3 0 "[ . 1]"
1 47 TYR 17.987 0.594 4 7 "[**-+* **]"
1 48 HIS 14.712 0.501 1 1 "[+ . 1]"
1 49 MET 10.241 0.363 8 0 "[ . 1]"
1 50 GLN 11.868 0.542 8 2 "[ * + 1]"
1 51 ARG 11.996 0.448 2 0 "[ . 1]"
1 52 CYS 6.795 0.501 1 1 "[+ . 1]"
1 53 ILE 6.142 0.363 8 0 "[ . 1]"
1 54 ASP 7.148 0.542 8 2 "[ * + 1]"
1 55 SER 4.509 0.360 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 VAL O 1 15 GLU H . . 1.800 1.931 1.907 1.966 0.166 5 0 "[ . 1]" 2
2 1 11 VAL O 1 15 GLU N . . 2.700 2.886 2.863 2.919 0.219 5 0 "[ . 1]" 2
3 1 12 GLU O 1 16 SER H . . 1.800 2.252 2.210 2.295 0.495 5 0 "[ . 1]" 2
4 1 12 GLU O 1 16 SER N . . 2.700 2.905 2.865 2.948 0.248 5 0 "[ . 1]" 2
5 1 19 GLU O 1 23 LYS H . . 1.800 1.984 1.904 2.038 0.238 1 0 "[ . 1]" 2
6 1 19 GLU O 1 23 LYS N . . 2.700 2.882 2.820 2.927 0.227 1 0 "[ . 1]" 2
7 1 20 GLU O 1 24 CYS H . . 1.800 2.097 2.051 2.178 0.378 8 0 "[ . 1]" 2
8 1 20 GLU O 1 24 CYS N . . 2.700 2.925 2.887 2.967 0.267 8 0 "[ . 1]" 2
9 1 21 LEU O 1 25 PHE H . . 1.800 2.100 1.954 2.155 0.355 8 0 "[ . 1]" 2
10 1 21 LEU O 1 25 PHE N . . 2.700 3.029 2.896 3.074 0.374 8 0 "[ . 1]" 2
11 1 22 GLN O 1 26 ASP H . . 1.800 2.355 2.298 2.423 0.623 3 8 "[*-+** ***]" 2
12 1 22 GLN O 1 26 ASP N . . 2.700 3.227 3.161 3.308 0.608 3 6 "[* + * *-*]" 2
13 1 23 LYS O 1 27 VAL H . . 1.800 2.485 2.464 2.514 0.714 6 10 [*****+*-**] 2
14 1 23 LYS O 1 27 VAL N . . 2.700 3.355 3.336 3.384 0.684 6 10 [*****+*-**] 2
15 1 30 VAL O 1 34 GLN H . . 1.800 2.024 1.998 2.041 0.241 7 0 "[ . 1]" 2
16 1 30 VAL O 1 34 GLN N . . 2.700 2.965 2.936 2.978 0.278 1 0 "[ . 1]" 2
17 1 31 GLN O 1 35 ASP H . . 1.800 2.540 2.390 2.784 0.984 7 10 [-*****+***] 2
18 1 31 GLN O 1 35 ASP N . . 2.700 3.376 3.244 3.607 0.907 7 10 [-*****+***] 2
19 1 32 MET O 1 36 ALA H . . 1.800 2.480 2.287 2.675 0.875 6 9 "[ **-*+****]" 2
20 1 32 MET O 1 36 ALA N . . 2.700 3.361 3.187 3.550 0.850 6 9 "[ **-*+****]" 2
21 1 33 LEU O 1 37 ILE H . . 1.800 2.431 2.270 2.512 0.712 1 9 "[+**** -***]" 2
22 1 33 LEU O 1 37 ILE N . . 2.700 3.307 3.169 3.384 0.684 1 9 "[+**** -***]" 2
23 1 34 GLN O 1 38 SER H . . 1.800 2.204 1.975 2.451 0.651 4 4 "[** +. -1]" 2
24 1 34 GLN O 1 38 SER N . . 2.700 3.104 2.885 3.336 0.636 4 4 "[** +. -1]" 2
25 1 35 ASP O 1 39 LYS H . . 1.800 2.493 2.126 2.905 1.105 9 7 "[** ** - +*]" 2
26 1 35 ASP O 1 39 LYS N . . 2.700 3.309 2.993 3.665 0.965 9 6 "[** ** +-]" 2
27 1 43 THR O 1 47 TYR H . . 1.800 2.338 2.269 2.394 0.594 4 7 "[***+- **]" 2
28 1 43 THR O 1 47 TYR N . . 2.700 3.212 3.144 3.269 0.569 4 6 "[**-+. **]" 2
29 1 44 ASP O 1 48 HIS H . . 1.800 2.176 2.152 2.205 0.405 8 0 "[ . 1]" 2
30 1 44 ASP O 1 48 HIS N . . 2.700 3.115 3.092 3.142 0.442 8 0 "[ . 1]" 2
31 1 45 ALA O 1 49 MET H . . 1.800 1.975 1.926 2.048 0.248 9 0 "[ . 1]" 2
32 1 45 ALA O 1 49 MET N . . 2.700 2.935 2.885 3.014 0.314 9 0 "[ . 1]" 2
33 1 46 LYS O 1 50 GLN H . . 1.800 2.046 1.980 2.101 0.301 3 0 "[ . 1]" 2
34 1 46 LYS O 1 50 GLN N . . 2.700 2.926 2.864 2.991 0.291 3 0 "[ . 1]" 2
35 1 47 TYR O 1 51 ARG H . . 1.800 2.195 2.126 2.248 0.448 2 0 "[ . 1]" 2
36 1 47 TYR O 1 51 ARG N . . 2.700 3.054 2.995 3.110 0.410 3 0 "[ . 1]" 2
37 1 48 HIS O 1 52 CYS H . . 1.800 2.122 1.940 2.272 0.472 1 0 "[ . 1]" 2
38 1 48 HIS O 1 52 CYS N . . 2.700 3.057 2.886 3.201 0.501 1 1 "[+ . 1]" 2
39 1 49 MET O 1 53 ILE H . . 1.800 2.107 2.009 2.163 0.363 8 0 "[ . 1]" 2
40 1 49 MET O 1 53 ILE N . . 2.700 3.007 2.946 3.059 0.359 1 0 "[ . 1]" 2
41 1 50 GLN O 1 54 ASP H . . 1.800 2.139 1.973 2.304 0.504 8 1 "[ . + 1]" 2
42 1 50 GLN O 1 54 ASP N . . 2.700 3.076 2.899 3.242 0.542 8 2 "[ - + 1]" 2
43 1 51 ARG O 1 55 SER H . . 1.800 2.078 2.025 2.160 0.360 5 0 "[ . 1]" 2
44 1 51 ARG O 1 55 SER N . . 2.700 2.873 2.806 2.971 0.271 5 0 "[ . 1]" 2
stop_
save_