Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
433736 | 2jvd RC | 15476 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jvd
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 1010
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 128.430
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0044
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0328
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 0.948 0.125 7 0 "[ . 1 . 2]"
1 3 SER 0.086 0.040 7 0 "[ . 1 . 2]"
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 1.026 0.145 9 0 "[ . 1 . 2]"
1 7 ILE 0.014 0.014 17 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ARG 0.048 0.014 19 0 "[ . 1 . 2]"
1 10 ILE 0.465 0.065 14 0 "[ . 1 . 2]"
1 11 ASN 0.014 0.014 17 0 "[ . 1 . 2]"
1 12 GLU 0.092 0.038 14 0 "[ . 1 . 2]"
1 13 LEU 0.318 0.045 19 0 "[ . 1 . 2]"
1 14 ALA 0.494 0.120 4 0 "[ . 1 . 2]"
1 15 ALA 0.155 0.038 11 0 "[ . 1 . 2]"
1 16 LYS 0.728 0.106 17 0 "[ . 1 . 2]"
1 17 ALA 0.078 0.037 12 0 "[ . 1 . 2]"
1 18 LYS 0.177 0.038 11 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.650 0.106 17 0 "[ . 1 . 2]"
1 22 ILE 0.167 0.027 13 0 "[ . 1 . 2]"
1 23 THR 1.443 0.128 11 0 "[ . 1 . 2]"
1 24 GLU 1.508 0.128 11 0 "[ . 1 . 2]"
1 25 GLU 0.076 0.062 6 0 "[ . 1 . 2]"
1 26 GLU 0.256 0.039 1 0 "[ . 1 . 2]"
1 27 LYS 0.218 0.066 20 0 "[ . 1 . 2]"
1 28 ALA 0.062 0.062 6 0 "[ . 1 . 2]"
1 29 GLU 0.128 0.073 7 0 "[ . 1 . 2]"
1 30 GLN 0.627 0.120 4 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.089 0.073 7 0 "[ . 1 . 2]"
1 33 LEU 0.069 0.040 2 0 "[ . 1 . 2]"
1 34 ARG 0.590 0.065 14 0 "[ . 1 . 2]"
1 35 GLN 0.151 0.043 3 0 "[ . 1 . 2]"
1 36 GLU 0.662 0.145 9 0 "[ . 1 . 2]"
1 37 TYR 0.101 0.034 8 0 "[ . 1 . 2]"
1 38 LEU 0.176 0.048 19 0 "[ . 1 . 2]"
1 39 LYS 0.260 0.079 11 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.214 0.056 20 0 "[ . 1 . 2]"
1 42 ARG 0.056 0.056 20 0 "[ . 1 . 2]"
1 46 LYS 0.107 0.070 6 0 "[ . 1 . 2]"
1 47 LEU 0.141 0.064 11 0 "[ . 1 . 2]"
1 48 GLU 0.006 0.006 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ILE HA 1 10 ILE HG13 4.530 . 4.980 3.035 2.753 3.428 . 0 0 "[ . 1 . 2]" 1
2 1 24 GLU HA 1 27 LYS HB2 3.270 . 3.600 2.480 1.967 2.813 . 0 0 "[ . 1 . 2]" 1
3 1 38 LEU HA 1 38 LEU HG 4.120 . 4.530 3.091 3.035 3.166 . 0 0 "[ . 1 . 2]" 1
4 1 33 LEU HA 1 33 LEU HG 3.380 . 3.720 3.143 2.992 3.250 . 0 0 "[ . 1 . 2]" 1
5 1 6 LYS HA 1 6 LYS HG2 3.650 . 4.020 2.525 2.455 2.604 . 0 0 "[ . 1 . 2]" 1
6 1 7 ILE HA 1 7 ILE MG 3.310 . 3.640 2.419 2.384 2.441 . 0 0 "[ . 1 . 2]" 1
7 1 10 ILE HA 1 10 ILE MG 3.380 . 3.720 2.468 2.428 2.515 . 0 0 "[ . 1 . 2]" 1
8 1 12 GLU HA 1 12 GLU HG2 3.820 . 4.200 3.352 2.908 3.879 . 0 0 "[ . 1 . 2]" 1
9 1 16 LYS HA 1 16 LYS HG3 3.820 . 4.200 3.062 2.851 3.267 . 0 0 "[ . 1 . 2]" 1
10 1 18 LYS HA 1 18 LYS HG2 4.100 . 4.510 2.773 2.440 3.614 . 0 0 "[ . 1 . 2]" 1
11 1 21 VAL HA 1 21 VAL MG1 3.170 . 3.490 2.370 2.346 2.415 . 0 0 "[ . 1 . 2]" 1
12 1 21 VAL MG2 1 22 ILE HA 3.890 . 4.280 3.537 3.091 3.864 . 0 0 "[ . 1 . 2]" 1
13 1 23 THR HA 1 23 THR MG 3.330 . 3.660 2.382 2.309 2.456 . 0 0 "[ . 1 . 2]" 1
14 1 25 GLU HA 1 25 GLU HG2 3.910 . 4.300 3.338 3.125 3.811 . 0 0 "[ . 1 . 2]" 1
15 1 30 GLN HG2 1 31 GLN HA 4.390 . 4.830 3.734 3.461 4.044 . 0 0 "[ . 1 . 2]" 1
16 1 27 LYS HA 1 27 LYS HG2 3.620 . 3.980 2.594 2.418 2.702 . 0 0 "[ . 1 . 2]" 1
17 1 29 GLU HA 1 29 GLU HG2 3.980 . 4.380 3.542 3.038 3.846 . 0 0 "[ . 1 . 2]" 1
18 1 30 GLN HA 1 30 GLN HG2 3.570 . 3.930 3.178 3.027 3.495 . 0 0 "[ . 1 . 2]" 1
19 1 32 LYS HA 1 32 LYS HG2 4.010 . 4.410 3.129 2.642 3.496 . 0 0 "[ . 1 . 2]" 1
20 1 34 ARG HA 1 34 ARG HG3 3.840 . 4.220 2.979 2.777 3.151 . 0 0 "[ . 1 . 2]" 1
21 1 36 GLU HA 1 36 GLU HG2 3.990 . 4.390 2.887 2.351 3.214 . 0 0 "[ . 1 . 2]" 1
22 1 39 LYS HA 1 39 LYS HG2 4.010 . 4.410 2.916 2.465 3.676 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS HA 1 6 LYS HG3 3.650 . 4.020 3.046 2.835 3.170 . 0 0 "[ . 1 . 2]" 1
24 1 12 GLU HA 1 12 GLU HG3 3.650 . 4.020 2.832 2.547 3.295 . 0 0 "[ . 1 . 2]" 1
25 1 16 LYS HA 1 16 LYS HG2 3.630 . 3.990 2.568 2.450 2.645 . 0 0 "[ . 1 . 2]" 1
26 1 18 LYS HA 1 18 LYS HG3 4.100 . 4.510 2.892 2.346 3.207 . 0 0 "[ . 1 . 2]" 1
27 1 27 LYS HA 1 30 GLN HB3 3.710 . 4.080 2.664 2.084 3.019 . 0 0 "[ . 1 . 2]" 1
28 1 25 GLU HA 1 25 GLU HG3 3.910 . 4.300 2.667 2.435 3.243 . 0 0 "[ . 1 . 2]" 1
29 1 27 LYS HA 1 27 LYS HG3 3.620 . 3.980 2.992 2.777 3.329 . 0 0 "[ . 1 . 2]" 1
30 1 30 GLN HA 1 30 GLN HG3 4.020 . 4.420 2.596 2.547 2.662 . 0 0 "[ . 1 . 2]" 1
31 1 32 LYS HA 1 32 LYS HG3 4.010 . 4.410 2.745 2.438 3.742 . 0 0 "[ . 1 . 2]" 1
32 1 39 LYS HA 1 39 LYS HG3 4.010 . 4.410 3.554 2.555 3.812 . 0 0 "[ . 1 . 2]" 1
33 1 13 LEU HA 1 13 LEU HG 4.070 . 4.480 3.156 3.068 3.238 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU HA 1 16 LYS HG3 4.410 . 4.850 3.049 2.489 3.364 . 0 0 "[ . 1 . 2]" 1
35 1 22 ILE HA 1 22 ILE MD 3.720 . 4.090 3.781 3.750 3.805 . 0 0 "[ . 1 . 2]" 1
36 1 33 LEU HA 1 33 LEU MD1 4.030 . 4.430 3.865 3.828 3.903 . 0 0 "[ . 1 . 2]" 1
37 1 38 LEU HA 1 38 LEU MD1 4.020 . 4.420 3.861 3.845 3.882 . 0 0 "[ . 1 . 2]" 1
38 1 9 ARG HA 1 9 ARG HD2 3.820 . 4.200 2.342 1.913 3.690 . 0 0 "[ . 1 . 2]" 1
39 1 34 ARG HA 1 34 ARG HD2 4.760 . 5.240 4.693 4.359 4.876 . 0 0 "[ . 1 . 2]" 1
40 1 37 TYR HA 1 37 TYR QD 3.950 . 4.350 2.813 2.553 2.988 . 0 0 "[ . 1 . 2]" 1
41 1 41 PHE HA 1 41 PHE QD 4.090 . 4.500 2.620 2.003 2.982 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS HA 1 6 LYS HD3 4.120 . 4.530 4.351 4.230 4.436 . 0 0 "[ . 1 . 2]" 1
43 1 16 LYS HA 1 19 ALA MB 3.250 . 3.580 2.558 2.166 2.779 . 0 0 "[ . 1 . 2]" 1
44 1 32 LYS HA 1 32 LYS QD 4.230 . 4.650 4.069 3.495 4.347 . 0 0 "[ . 1 . 2]" 1
45 1 34 ARG HA 1 34 ARG HD3 4.760 . 5.240 4.627 4.282 4.740 . 0 0 "[ . 1 . 2]" 1
46 1 42 ARG HA 1 42 ARG QD 4.440 . 4.880 3.788 1.944 4.584 . 0 0 "[ . 1 . 2]" 1
47 1 2 ILE HA 1 2 ILE HG13 3.570 . 3.930 2.499 2.368 2.907 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE HA 1 7 ILE HG13 4.000 . 4.400 3.054 3.025 3.096 . 0 0 "[ . 1 . 2]" 1
49 1 10 ILE HA 1 10 ILE HG13 3.690 . 4.060 2.984 2.885 3.047 . 0 0 "[ . 1 . 2]" 1
50 1 10 ILE HA 1 13 LEU HB2 4.130 . 4.540 2.883 2.677 3.107 . 0 0 "[ . 1 . 2]" 1
51 1 22 ILE HA 1 22 ILE HG12 3.600 . 3.960 3.096 3.029 3.164 . 0 0 "[ . 1 . 2]" 1
52 1 2 ILE HA 1 2 ILE HG12 3.720 . 4.090 3.185 3.046 3.737 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE HA 1 7 ILE HG12 3.700 . 4.070 2.542 2.496 2.588 . 0 0 "[ . 1 . 2]" 1
54 1 10 ILE HA 1 10 ILE HG12 3.370 . 3.710 2.511 2.445 2.552 . 0 0 "[ . 1 . 2]" 1
55 1 22 ILE HA 1 22 ILE HG13 3.600 . 3.960 2.447 2.390 2.507 . 0 0 "[ . 1 . 2]" 1
56 1 6 LYS HA 1 6 LYS HE2 5.500 . 6.050 5.353 4.915 6.082 0.032 10 0 "[ . 1 . 2]" 1
57 1 6 LYS HA 1 6 LYS HE3 5.500 . 6.050 5.302 4.947 6.061 0.011 14 0 "[ . 1 . 2]" 1
58 1 32 LYS HA 1 32 LYS QE 5.500 . 6.050 4.719 3.999 5.135 . 0 0 "[ . 1 . 2]" 1
59 1 39 LYS HA 1 39 LYS HE2 5.500 . 6.050 4.540 3.579 5.242 . 0 0 "[ . 1 . 2]" 1
60 1 39 LYS HA 1 39 LYS HE3 5.500 . 6.050 4.427 1.857 6.064 0.014 8 0 "[ . 1 . 2]" 1
61 1 15 ALA H 1 15 ALA MB 3.060 . 3.370 2.243 2.228 2.263 . 0 0 "[ . 1 . 2]" 1
62 1 36 GLU H 1 36 GLU HB2 4.040 . 4.440 2.455 2.050 2.647 . 0 0 "[ . 1 . 2]" 1
63 1 46 LYS HB2 1 47 LEU H 5.500 . 6.050 4.098 2.000 4.663 . 0 0 "[ . 1 . 2]" 1
64 1 35 GLN HA 1 38 LEU HB2 3.870 . 4.260 2.629 2.267 3.014 . 0 0 "[ . 1 . 2]" 1
65 1 13 LEU HA 1 16 LYS HB2 3.560 . 3.920 2.387 2.160 2.651 . 0 0 "[ . 1 . 2]" 1
66 1 30 GLN HB2 1 30 GLN HG3 2.660 . 2.930 2.463 2.419 2.571 . 0 0 "[ . 1 . 2]" 1
67 1 7 ILE HB 1 7 ILE MD 3.330 . 3.660 2.449 2.432 2.470 . 0 0 "[ . 1 . 2]" 1
68 1 22 ILE HB 1 22 ILE MD 3.510 . 3.860 2.420 2.402 2.431 . 0 0 "[ . 1 . 2]" 1
69 1 34 ARG HB2 1 34 ARG HD2 4.080 . 4.490 3.447 2.569 3.763 . 0 0 "[ . 1 . 2]" 1
70 1 7 ILE MG 1 10 ILE HB 4.450 . 4.890 3.557 3.244 3.969 . 0 0 "[ . 1 . 2]" 1
71 1 33 LEU H 1 33 LEU HG 3.960 . 4.360 2.243 2.053 2.422 . 0 0 "[ . 1 . 2]" 1
72 1 38 LEU H 1 38 LEU HG 3.940 . 4.330 2.485 2.214 2.737 . 0 0 "[ . 1 . 2]" 1
73 1 35 GLN HA 1 35 GLN HG2 4.070 . 4.480 3.203 2.581 3.655 . 0 0 "[ . 1 . 2]" 1
74 1 29 GLU HA 1 29 GLU HG3 3.980 . 4.380 2.837 2.453 3.211 . 0 0 "[ . 1 . 2]" 1
75 1 34 ARG HA 1 34 ARG HG2 4.120 . 4.530 2.496 2.388 2.624 . 0 0 "[ . 1 . 2]" 1
76 1 35 GLN HA 1 35 GLN HG3 4.070 . 4.480 3.339 2.366 3.791 . 0 0 "[ . 1 . 2]" 1
77 1 36 GLU HA 1 36 GLU HG3 3.990 . 4.390 3.737 3.261 3.830 . 0 0 "[ . 1 . 2]" 1
78 1 24 GLU HG2 1 25 GLU H 5.500 . 6.050 4.620 4.087 4.974 . 0 0 "[ . 1 . 2]" 1
79 1 27 LYS H 1 27 LYS HG2 4.230 . 4.650 3.524 3.188 3.768 . 0 0 "[ . 1 . 2]" 1
80 1 29 GLU H 1 29 GLU HG2 4.740 . 5.210 4.542 4.397 4.643 . 0 0 "[ . 1 . 2]" 1
81 1 30 GLN H 1 30 GLN HG2 4.740 . 5.210 4.479 4.389 4.527 . 0 0 "[ . 1 . 2]" 1
82 1 31 GLN H 1 31 GLN HG2 4.730 . 5.200 4.089 2.049 4.619 . 0 0 "[ . 1 . 2]" 1
83 1 9 ARG H 1 9 ARG HG3 5.470 . 6.020 4.480 4.412 4.535 . 0 0 "[ . 1 . 2]" 1
84 1 29 GLU H 1 29 GLU HG3 4.740 . 5.210 4.479 4.421 4.522 . 0 0 "[ . 1 . 2]" 1
85 1 31 GLN H 1 31 GLN HG3 4.730 . 5.200 3.854 2.070 4.518 . 0 0 "[ . 1 . 2]" 1
86 1 36 GLU H 1 36 GLU HG3 4.280 . 4.710 3.564 2.223 4.258 . 0 0 "[ . 1 . 2]" 1
87 1 30 GLN HB3 1 30 GLN HG2 2.770 . 3.050 2.439 2.344 2.477 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE HG12 1 33 LEU HB3 3.860 . 4.250 2.747 2.186 3.115 . 0 0 "[ . 1 . 2]" 1
89 1 38 LEU HB3 1 38 LEU MD1 3.330 . 3.660 2.395 2.369 2.424 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE HG13 1 7 ILE MG 3.400 . 3.740 3.218 3.215 3.223 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE HG12 1 7 ILE MG 3.410 . 3.750 2.416 2.398 2.441 . 0 0 "[ . 1 . 2]" 1
92 1 34 ARG H 1 34 ARG HB3 3.840 . 4.220 3.603 3.579 3.627 . 0 0 "[ . 1 . 2]" 1
93 1 46 LYS HB3 1 47 LEU H 5.500 . 6.050 4.102 2.092 4.514 . 0 0 "[ . 1 . 2]" 1
94 1 38 LEU HB3 1 38 LEU MD2 3.470 . 3.820 2.400 2.369 2.423 . 0 0 "[ . 1 . 2]" 1
95 1 32 LYS HB3 1 32 LYS QD 3.380 . 3.720 2.457 2.175 3.161 . 0 0 "[ . 1 . 2]" 1
96 1 32 LYS HB2 1 32 LYS QD 3.380 . 3.720 2.609 2.302 3.291 . 0 0 "[ . 1 . 2]" 1
97 1 34 ARG HB2 1 34 ARG HD3 4.080 . 4.490 2.804 2.363 3.757 . 0 0 "[ . 1 . 2]" 1
98 1 16 LYS HE2 1 16 LYS HG3 4.190 . 4.610 2.950 2.489 3.549 . 0 0 "[ . 1 . 2]" 1
99 1 16 LYS HE3 1 16 LYS HG3 4.190 . 4.610 3.341 2.531 4.201 . 0 0 "[ . 1 . 2]" 1
100 1 33 LEU HB2 1 33 LEU MD1 3.230 . 3.550 2.348 2.264 2.401 . 0 0 "[ . 1 . 2]" 1
101 1 38 LEU HB2 1 38 LEU MD1 3.270 . 3.600 2.349 2.317 2.377 . 0 0 "[ . 1 . 2]" 1
102 1 13 LEU MD2 1 26 GLU HB3 3.950 . 4.350 1.837 1.768 2.053 0.032 1 0 "[ . 1 . 2]" 1
103 1 33 LEU HB3 1 33 LEU MD2 3.370 . 3.710 2.405 2.326 2.447 . 0 0 "[ . 1 . 2]" 1
104 1 18 LYS HB2 1 18 LYS QD 3.490 . 3.840 2.661 2.319 3.052 . 0 0 "[ . 1 . 2]" 1
105 1 18 LYS HB3 1 18 LYS QD 3.720 . 4.090 2.762 2.367 3.483 . 0 0 "[ . 1 . 2]" 1
106 1 27 LYS HB3 1 27 LYS QD 3.370 . 3.710 2.899 2.439 3.133 . 0 0 "[ . 1 . 2]" 1
107 1 27 LYS HB2 1 27 LYS QD 3.380 . 3.720 2.439 2.342 2.664 . 0 0 "[ . 1 . 2]" 1
108 1 2 ILE HB 1 2 ILE MD 3.530 . 3.880 2.416 2.374 2.455 . 0 0 "[ . 1 . 2]" 1
109 1 10 ILE HB 1 10 ILE MD 3.510 . 3.860 2.437 2.408 2.461 . 0 0 "[ . 1 . 2]" 1
110 1 10 ILE MD 1 10 ILE MG 3.280 . 3.610 1.942 1.921 1.967 . 0 0 "[ . 1 . 2]" 1
111 1 7 ILE MD 1 7 ILE MG 2.400 . 2.640 1.947 1.931 1.968 . 0 0 "[ . 1 . 2]" 1
112 1 22 ILE MD 1 22 ILE MG 2.400 . 2.640 1.967 1.951 1.989 . 0 0 "[ . 1 . 2]" 1
113 1 22 ILE H 1 22 ILE MG 3.420 . 3.760 1.986 1.875 2.074 . 0 0 "[ . 1 . 2]" 1
114 1 10 ILE HG12 1 10 ILE MG 3.330 . 3.660 2.412 2.387 2.458 . 0 0 "[ . 1 . 2]" 1
115 1 6 LYS HB3 1 7 ILE H 4.480 . 4.930 3.603 3.393 3.720 . 0 0 "[ . 1 . 2]" 1
116 1 9 ARG HB3 1 10 ILE H 4.230 . 4.650 2.613 2.397 2.831 . 0 0 "[ . 1 . 2]" 1
117 1 16 LYS HB3 1 17 ALA H 4.840 . 5.320 3.663 3.446 3.903 . 0 0 "[ . 1 . 2]" 1
118 1 18 LYS HB2 1 19 ALA H 3.940 . 4.330 3.086 2.553 4.030 . 0 0 "[ . 1 . 2]" 1
119 1 18 LYS HB3 1 19 ALA H 4.250 . 4.680 3.492 2.541 3.999 . 0 0 "[ . 1 . 2]" 1
120 1 27 LYS HB3 1 28 ALA H 4.260 . 4.690 3.546 3.339 3.809 . 0 0 "[ . 1 . 2]" 1
121 1 29 GLU HB3 1 30 GLN H 4.030 . 4.430 2.509 2.360 2.752 . 0 0 "[ . 1 . 2]" 1
122 1 34 ARG HB3 1 35 GLN H 4.190 . 4.610 3.678 3.540 3.852 . 0 0 "[ . 1 . 2]" 1
123 1 38 LEU HB3 1 39 LYS H 4.860 . 5.350 3.864 2.833 4.201 . 0 0 "[ . 1 . 2]" 1
124 1 24 GLU HB3 1 25 GLU H 3.860 . 4.250 3.763 3.306 3.982 . 0 0 "[ . 1 . 2]" 1
125 1 33 LEU HB2 1 34 ARG H 4.400 . 4.840 2.713 2.504 3.019 . 0 0 "[ . 1 . 2]" 1
126 1 22 ILE HB 1 23 THR H 4.960 . 5.460 4.226 4.107 4.312 . 0 0 "[ . 1 . 2]" 1
127 1 29 GLU HG2 1 30 GLN H 5.500 . 6.050 4.119 3.214 4.851 . 0 0 "[ . 1 . 2]" 1
128 1 30 GLN HG2 1 31 GLN H 5.060 . 5.570 3.605 3.213 3.803 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLU HG3 1 13 LEU H 5.500 . 6.050 4.146 3.266 4.686 . 0 0 "[ . 1 . 2]" 1
130 1 24 GLU HG3 1 25 GLU H 5.500 . 6.050 4.497 4.053 5.123 . 0 0 "[ . 1 . 2]" 1
131 1 29 GLU HG3 1 30 GLN H 5.500 . 6.050 4.121 3.445 4.838 . 0 0 "[ . 1 . 2]" 1
132 1 30 GLN HG3 1 31 GLN H 5.030 . 5.530 4.617 4.178 4.790 . 0 0 "[ . 1 . 2]" 1
133 1 36 GLU HG3 1 37 TYR H 5.440 . 5.980 4.902 4.316 5.256 . 0 0 "[ . 1 . 2]" 1
134 1 2 ILE HA 1 2 ILE MD 4.480 . 4.930 3.604 1.968 3.829 . 0 0 "[ . 1 . 2]" 1
135 1 7 ILE HA 1 7 ILE MD 3.970 . 4.370 3.844 3.818 3.864 . 0 0 "[ . 1 . 2]" 1
136 1 10 ILE HA 1 10 ILE MD 3.950 . 4.350 3.828 3.782 3.851 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU MD1 1 27 LYS HA 5.040 . 5.540 4.118 3.716 4.766 . 0 0 "[ . 1 . 2]" 1
138 1 35 GLN HA 1 38 LEU MD1 3.910 . 4.300 2.715 2.346 3.556 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU HA 1 13 LEU MD2 3.220 . 3.540 2.018 1.958 2.078 . 0 0 "[ . 1 . 2]" 1
140 1 33 LEU HA 1 33 LEU MD2 3.180 . 3.500 2.034 1.941 2.116 . 0 0 "[ . 1 . 2]" 1
141 1 38 LEU HA 1 38 LEU MD2 3.210 . 3.530 1.999 1.966 2.051 . 0 0 "[ . 1 . 2]" 1
142 1 37 TYR QD 1 38 LEU HG 4.550 . 5.010 3.313 2.587 3.780 . 0 0 "[ . 1 . 2]" 1
143 1 2 ILE HG13 1 37 TYR QD 5.500 . 6.050 4.899 3.391 5.873 . 0 0 "[ . 1 . 2]" 1
144 1 34 ARG HG2 1 37 TYR QD 5.500 . 6.050 4.945 4.185 5.839 . 0 0 "[ . 1 . 2]" 1
145 1 2 ILE HG12 1 37 TYR QD 5.110 . 5.620 4.111 1.871 5.095 . 0 0 "[ . 1 . 2]" 1
146 1 2 ILE MD 1 37 TYR QD 4.260 . 4.690 2.203 1.766 2.948 0.034 8 0 "[ . 1 . 2]" 1
147 1 2 ILE MG 1 37 TYR QD 4.680 . 5.150 2.804 1.787 4.447 0.013 2 0 "[ . 1 . 2]" 1
148 1 38 LEU MD2 1 41 PHE QD 5.440 . 5.980 2.703 1.977 5.086 . 0 0 "[ . 1 . 2]" 1
149 1 37 TYR QE 1 38 LEU HG 5.500 . 6.050 5.381 4.593 5.920 . 0 0 "[ . 1 . 2]" 1
150 1 7 ILE HG12 1 37 TYR QE 5.400 . 5.940 3.756 2.694 5.317 . 0 0 "[ . 1 . 2]" 1
151 1 7 ILE MG 1 37 TYR QE 4.720 . 5.190 3.617 2.715 4.675 . 0 0 "[ . 1 . 2]" 1
152 1 10 ILE HA 1 30 GLN HG2 5.460 . 6.010 4.907 4.225 5.500 . 0 0 "[ . 1 . 2]" 1
153 1 10 ILE HA 1 30 GLN HG3 5.440 . 5.980 3.258 2.533 3.961 . 0 0 "[ . 1 . 2]" 1
154 1 9 ARG HG3 1 10 ILE HA 5.210 . 5.730 3.880 3.578 4.099 . 0 0 "[ . 1 . 2]" 1
155 1 10 ILE HA 1 33 LEU HB3 5.180 . 5.700 4.831 4.100 5.330 . 0 0 "[ . 1 . 2]" 1
156 1 3 SER HB3 1 6 LYS HD2 5.500 . 6.050 4.230 3.370 5.224 . 0 0 "[ . 1 . 2]" 1
157 1 3 SER HB2 1 6 LYS HD2 5.500 . 6.050 4.644 2.873 5.760 . 0 0 "[ . 1 . 2]" 1
158 1 3 SER HB2 1 5 ALA MB 5.110 . 5.620 4.035 3.020 5.319 . 0 0 "[ . 1 . 2]" 1
159 1 3 SER HB3 1 5 ALA MB 5.110 . 5.620 3.765 2.805 4.728 . 0 0 "[ . 1 . 2]" 1
160 1 7 ILE HA 1 11 ASN H 5.180 . 5.700 4.280 4.048 4.560 . 0 0 "[ . 1 . 2]" 1
161 1 7 ILE HA 1 10 ILE HB 3.600 . 3.960 2.788 2.468 3.215 . 0 0 "[ . 1 . 2]" 1
162 1 22 ILE HA 1 26 GLU HB2 4.860 . 5.350 3.670 3.261 4.080 . 0 0 "[ . 1 . 2]" 1
163 1 2 ILE HG13 1 37 TYR HA 5.090 . 5.600 4.731 4.044 5.577 . 0 0 "[ . 1 . 2]" 1
164 1 2 ILE HB 1 37 TYR HA 4.690 . 5.160 3.056 2.096 4.579 . 0 0 "[ . 1 . 2]" 1
165 1 36 GLU HB3 1 37 TYR HA 5.290 . 5.820 4.418 4.078 4.749 . 0 0 "[ . 1 . 2]" 1
166 1 36 GLU HB2 1 37 TYR HA 5.290 . 5.820 4.470 4.232 5.412 . 0 0 "[ . 1 . 2]" 1
167 1 10 ILE MD 1 37 TYR HA 5.230 . 5.750 4.459 3.954 4.919 . 0 0 "[ . 1 . 2]" 1
168 1 27 LYS HA 1 29 GLU H 5.060 . 5.570 4.509 4.346 4.701 . 0 0 "[ . 1 . 2]" 1
169 1 34 ARG HA 1 37 TYR HB2 4.020 . 4.420 2.903 2.501 3.209 . 0 0 "[ . 1 . 2]" 1
170 1 34 ARG HA 1 37 TYR HB3 3.680 . 4.050 2.381 1.912 2.737 . 0 0 "[ . 1 . 2]" 1
171 1 10 ILE MD 1 34 ARG HA 4.210 . 4.630 2.782 2.326 3.053 . 0 0 "[ . 1 . 2]" 1
172 1 30 GLN HA 1 33 LEU HB2 3.830 . 4.210 2.802 2.381 3.315 . 0 0 "[ . 1 . 2]" 1
173 1 30 GLN HA 1 33 LEU HB3 4.570 . 5.030 4.419 3.906 5.036 0.006 20 0 "[ . 1 . 2]" 1
174 1 13 LEU HB3 1 30 GLN HA 5.310 . 5.840 4.558 3.945 5.096 . 0 0 "[ . 1 . 2]" 1
175 1 30 GLN HA 1 33 LEU MD1 3.880 . 4.270 2.680 1.795 3.739 0.005 14 0 "[ . 1 . 2]" 1
176 1 13 LEU MD1 1 30 GLN HA 3.530 . 3.880 2.455 2.171 2.886 . 0 0 "[ . 1 . 2]" 1
177 1 6 LYS HA 1 33 LEU MD1 4.750 . 5.220 3.099 2.433 3.841 . 0 0 "[ . 1 . 2]" 1
178 1 6 LYS HA 1 33 LEU MD2 4.890 . 5.380 3.304 2.605 4.301 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU MD1 1 26 GLU HA 4.320 . 4.750 3.385 3.089 3.883 . 0 0 "[ . 1 . 2]" 1
180 1 31 GLN HA 1 34 ARG HD2 4.770 . 5.250 4.035 2.840 4.658 . 0 0 "[ . 1 . 2]" 1
181 1 38 LEU MD2 1 41 PHE HA 5.500 . 6.050 5.192 4.431 5.981 . 0 0 "[ . 1 . 2]" 1
182 1 13 LEU HA 1 17 ALA H 5.130 . 5.640 3.982 3.821 4.361 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU HA 1 16 LYS HG2 4.810 . 5.290 4.386 4.074 4.644 . 0 0 "[ . 1 . 2]" 1
184 1 9 ARG HA 1 12 GLU HG2 4.830 . 5.310 4.592 3.587 5.318 0.008 5 0 "[ . 1 . 2]" 1
185 1 9 ARG HA 1 12 GLU HB3 4.070 . 4.480 2.578 2.195 3.001 . 0 0 "[ . 1 . 2]" 1
186 1 9 ARG HA 1 33 LEU MD1 5.130 . 5.640 4.497 4.095 4.843 . 0 0 "[ . 1 . 2]" 1
187 1 9 ARG HA 1 13 LEU MD1 5.420 . 5.960 4.674 4.501 4.892 . 0 0 "[ . 1 . 2]" 1
188 1 9 ARG HA 1 13 LEU MD2 5.500 . 6.050 4.841 4.569 5.128 . 0 0 "[ . 1 . 2]" 1
189 1 38 LEU HA 1 41 PHE QD 4.660 . 5.130 3.368 2.240 4.366 . 0 0 "[ . 1 . 2]" 1
190 1 37 TYR QD 1 38 LEU HA 4.820 . 5.300 3.630 3.113 4.063 . 0 0 "[ . 1 . 2]" 1
191 1 37 TYR HB3 1 38 LEU HA 5.360 . 5.900 4.350 4.205 4.562 . 0 0 "[ . 1 . 2]" 1
192 1 38 LEU HA 1 41 PHE HB3 4.750 . 5.220 2.511 1.814 4.740 . 0 0 "[ . 1 . 2]" 1
193 1 16 LYS HA 1 21 VAL MG2 3.360 . 3.700 2.157 1.905 2.333 . 0 0 "[ . 1 . 2]" 1
194 1 34 ARG HA 1 38 LEU H 4.850 . 5.330 4.115 3.767 4.288 . 0 0 "[ . 1 . 2]" 1
195 1 11 ASN HA 1 14 ALA MB 3.390 . 3.730 2.488 2.093 2.777 . 0 0 "[ . 1 . 2]" 1
196 1 10 ILE MG 1 11 ASN HA 4.190 . 4.610 3.321 3.122 3.445 . 0 0 "[ . 1 . 2]" 1
197 1 4 ASN HA 1 7 ILE HB 3.600 . 3.960 2.541 2.189 3.049 . 0 0 "[ . 1 . 2]" 1
198 1 4 ASN HA 1 7 ILE HG13 4.560 . 5.020 2.898 2.449 3.425 . 0 0 "[ . 1 . 2]" 1
199 1 4 ASN HA 1 7 ILE HG12 4.970 . 5.470 4.289 3.909 4.846 . 0 0 "[ . 1 . 2]" 1
200 1 4 ASN HA 1 7 ILE MD 3.780 . 4.160 2.199 1.969 2.918 . 0 0 "[ . 1 . 2]" 1
201 1 15 ALA HA 1 18 LYS HB2 3.810 . 4.190 2.999 2.430 4.029 . 0 0 "[ . 1 . 2]" 1
202 1 15 ALA HA 1 18 LYS HB3 4.330 . 4.760 4.016 2.451 4.794 0.034 6 0 "[ . 1 . 2]" 1
203 1 15 ALA HA 1 18 LYS QD 4.470 . 4.920 3.665 1.980 4.883 . 0 0 "[ . 1 . 2]" 1
204 1 8 ALA HA 1 11 ASN HB2 3.860 . 4.250 2.842 2.554 3.148 . 0 0 "[ . 1 . 2]" 1
205 1 8 ALA HA 1 11 ASN HB3 4.450 . 4.890 4.446 4.094 4.715 . 0 0 "[ . 1 . 2]" 1
206 1 7 ILE MG 1 8 ALA HA 4.160 . 4.580 3.506 3.281 3.624 . 0 0 "[ . 1 . 2]" 1
207 1 28 ALA HA 1 31 GLN H 4.030 . 4.430 3.566 3.333 3.923 . 0 0 "[ . 1 . 2]" 1
208 1 27 LYS HB2 1 28 ALA HA 4.810 . 5.290 4.419 4.233 4.555 . 0 0 "[ . 1 . 2]" 1
209 1 17 ALA HA 1 19 ALA H 5.060 . 5.570 4.333 4.103 4.718 . 0 0 "[ . 1 . 2]" 1
210 1 17 ALA HA 1 22 ILE H 4.260 . 4.690 3.626 3.330 4.123 . 0 0 "[ . 1 . 2]" 1
211 1 17 ALA HA 1 22 ILE HB 3.700 . 4.070 3.081 2.662 3.377 . 0 0 "[ . 1 . 2]" 1
212 1 17 ALA HA 1 22 ILE MG 3.240 . 3.560 1.991 1.844 2.197 . 0 0 "[ . 1 . 2]" 1
213 1 4 ASN QB 1 5 ALA HA 4.570 . 5.030 4.114 3.934 4.395 . 0 0 "[ . 1 . 2]" 1
214 1 18 LYS HB2 1 19 ALA HA 5.340 . 5.870 4.839 4.347 5.773 . 0 0 "[ . 1 . 2]" 1
215 1 19 ALA HA 1 21 VAL MG1 4.770 . 5.250 4.381 4.136 4.803 . 0 0 "[ . 1 . 2]" 1
216 1 17 ALA MB 1 20 GLY HA2 5.500 . 6.050 4.889 4.703 5.278 . 0 0 "[ . 1 . 2]" 1
217 1 19 ALA MB 1 20 GLY HA2 5.500 . 6.050 4.633 4.378 4.741 . 0 0 "[ . 1 . 2]" 1
218 1 19 ALA MB 1 20 GLY HA3 5.010 . 5.510 4.372 4.134 4.486 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLY HA2 1 22 ILE MG 4.760 . 5.240 3.284 3.069 3.538 . 0 0 "[ . 1 . 2]" 1
220 1 20 GLY HA3 1 21 VAL MG1 4.500 . 4.950 4.037 3.930 4.143 . 0 0 "[ . 1 . 2]" 1
221 1 20 GLY HA3 1 21 VAL HA 5.460 . 6.010 4.484 4.399 4.565 . 0 0 "[ . 1 . 2]" 1
222 1 20 GLY HA2 1 21 VAL HA 5.500 . 6.050 4.642 4.529 4.729 . 0 0 "[ . 1 . 2]" 1
223 1 30 GLN HG3 1 34 ARG HD3 5.190 . 5.710 4.405 3.354 4.962 . 0 0 "[ . 1 . 2]" 1
224 1 10 ILE HG12 1 34 ARG HD2 5.500 . 6.050 5.477 4.974 6.115 0.065 14 0 "[ . 1 . 2]" 1
225 1 10 ILE HG12 1 34 ARG HD3 5.500 . 6.050 5.827 4.872 6.096 0.046 18 0 "[ . 1 . 2]" 1
226 1 10 ILE MG 1 34 ARG HD2 5.260 . 5.790 3.948 3.199 4.984 . 0 0 "[ . 1 . 2]" 1
227 1 10 ILE MG 1 34 ARG HD3 5.260 . 5.790 4.539 3.050 5.191 . 0 0 "[ . 1 . 2]" 1
228 1 31 GLN HA 1 34 ARG HD3 4.770 . 5.250 3.213 1.957 4.851 . 0 0 "[ . 1 . 2]" 1
229 1 9 ARG HA 1 9 ARG HD3 3.820 . 4.200 2.904 2.064 3.276 . 0 0 "[ . 1 . 2]" 1
230 1 18 LYS HB2 1 18 LYS QE 3.960 . 4.360 2.502 1.948 3.705 . 0 0 "[ . 1 . 2]" 1
231 1 18 LYS HB3 1 18 LYS QE 4.270 . 4.700 2.609 2.030 3.534 . 0 0 "[ . 1 . 2]" 1
232 1 12 GLU HG3 1 16 LYS HE2 4.490 . 4.940 3.665 1.805 4.861 . 0 0 "[ . 1 . 2]" 1
233 1 6 LYS HE2 1 33 LEU MD2 4.470 . 4.920 3.421 2.446 4.592 . 0 0 "[ . 1 . 2]" 1
234 1 16 LYS HE2 1 21 VAL MG2 4.490 . 4.940 4.156 2.881 5.009 0.069 10 0 "[ . 1 . 2]" 1
235 1 15 ALA HA 1 18 LYS QE 4.020 . 4.420 3.000 1.885 4.096 . 0 0 "[ . 1 . 2]" 1
236 1 12 GLU HG2 1 16 LYS HE2 4.830 . 5.310 3.586 1.870 5.348 0.038 14 0 "[ . 1 . 2]" 1
237 1 12 GLU HG3 1 16 LYS HE3 4.490 . 4.940 3.630 2.755 4.950 0.010 18 0 "[ . 1 . 2]" 1
238 1 16 LYS HB2 1 16 LYS HE3 5.360 . 5.900 4.584 4.312 4.825 . 0 0 "[ . 1 . 2]" 1
239 1 10 ILE HA 1 13 LEU HB3 5.020 . 5.520 4.562 4.306 4.808 . 0 0 "[ . 1 . 2]" 1
240 1 13 LEU HB2 1 30 GLN HG2 5.070 . 5.580 4.640 4.140 4.993 . 0 0 "[ . 1 . 2]" 1
241 1 13 LEU HB2 1 30 GLN HB2 4.730 . 5.200 3.023 2.663 3.780 . 0 0 "[ . 1 . 2]" 1
242 1 13 LEU HB2 1 14 ALA MB 5.130 . 5.640 4.177 4.010 4.354 . 0 0 "[ . 1 . 2]" 1
243 1 13 LEU HB3 1 30 GLN HB3 4.800 . 5.280 4.077 3.767 4.728 . 0 0 "[ . 1 . 2]" 1
244 1 13 LEU HB3 1 30 GLN HB2 4.490 . 4.940 2.623 2.465 3.193 . 0 0 "[ . 1 . 2]" 1
245 1 16 LYS HB2 1 22 ILE HB 4.420 . 4.860 2.416 2.081 2.732 . 0 0 "[ . 1 . 2]" 1
246 1 17 ALA MB 1 22 ILE HB 4.550 . 5.010 3.581 3.315 3.893 . 0 0 "[ . 1 . 2]" 1
247 1 38 LEU HA 1 41 PHE HB2 4.750 . 5.220 2.833 1.977 3.627 . 0 0 "[ . 1 . 2]" 1
248 1 38 LEU HG 1 41 PHE HB3 5.500 . 6.050 5.080 4.236 6.093 0.043 3 0 "[ . 1 . 2]" 1
249 1 38 LEU HB3 1 41 PHE HB3 5.500 . 6.050 3.779 2.303 6.072 0.022 3 0 "[ . 1 . 2]" 1
250 1 38 LEU HB3 1 41 PHE HB2 5.500 . 6.050 4.568 1.820 5.684 . 0 0 "[ . 1 . 2]" 1
251 1 38 LEU MD2 1 41 PHE HB3 5.140 . 5.650 2.901 1.975 3.865 . 0 0 "[ . 1 . 2]" 1
252 1 38 LEU MD2 1 41 PHE HB2 5.140 . 5.650 3.574 2.166 4.251 . 0 0 "[ . 1 . 2]" 1
253 1 2 ILE HB 1 6 LYS HD2 4.420 . 4.860 4.142 3.331 4.868 0.008 18 0 "[ . 1 . 2]" 1
254 1 37 TYR HB3 1 38 LEU HG 4.880 . 5.370 3.318 2.927 3.564 . 0 0 "[ . 1 . 2]" 1
255 1 10 ILE HG13 1 37 TYR HB2 5.500 . 6.050 5.239 4.776 5.825 . 0 0 "[ . 1 . 2]" 1
256 1 34 ARG HG2 1 37 TYR HB3 5.500 . 6.050 4.261 3.479 4.844 . 0 0 "[ . 1 . 2]" 1
257 1 34 ARG HB3 1 37 TYR HB3 5.140 . 5.650 4.004 3.520 4.408 . 0 0 "[ . 1 . 2]" 1
258 1 2 ILE HB 1 37 TYR HB2 5.500 . 6.050 4.183 3.438 5.448 . 0 0 "[ . 1 . 2]" 1
259 1 34 ARG HB3 1 37 TYR HB2 5.500 . 6.050 5.181 4.658 5.541 . 0 0 "[ . 1 . 2]" 1
260 1 2 ILE MD 1 37 TYR HB3 4.610 . 5.070 3.616 3.430 3.988 . 0 0 "[ . 1 . 2]" 1
261 1 10 ILE HG12 1 37 TYR HB2 5.250 . 5.780 5.175 4.483 5.756 . 0 0 "[ . 1 . 2]" 1
262 1 37 TYR HB3 1 38 LEU MD1 4.920 . 5.410 4.748 4.382 4.941 . 0 0 "[ . 1 . 2]" 1
263 1 4 ASN QB 1 7 ILE HB 4.670 . 5.140 4.083 3.460 4.841 . 0 0 "[ . 1 . 2]" 1
264 1 4 ASN QB 1 5 ALA MB 4.900 . 5.390 4.107 3.738 4.626 . 0 0 "[ . 1 . 2]" 1
265 1 4 ASN QB 1 8 ALA MB 5.440 . 5.980 4.398 3.812 5.081 . 0 0 "[ . 1 . 2]" 1
266 1 4 ASN QB 1 7 ILE MD 4.710 . 5.180 3.679 3.163 4.565 . 0 0 "[ . 1 . 2]" 1
267 1 11 ASN HB2 1 14 ALA MB 5.140 . 5.650 4.973 4.650 5.304 . 0 0 "[ . 1 . 2]" 1
268 1 7 ILE MG 1 11 ASN HB2 5.430 . 5.970 4.606 4.273 5.080 . 0 0 "[ . 1 . 2]" 1
269 1 7 ILE MG 1 11 ASN HB3 5.250 . 5.780 5.426 4.958 5.794 0.014 17 0 "[ . 1 . 2]" 1
270 1 7 ILE HB 1 8 ALA HA 5.330 . 5.860 4.329 4.235 4.403 . 0 0 "[ . 1 . 2]" 1
271 1 7 ILE HB 1 8 ALA MB 4.840 . 5.320 3.971 3.784 4.071 . 0 0 "[ . 1 . 2]" 1
272 1 23 THR MG 1 26 GLU HG2 5.400 . 5.940 4.612 3.420 5.603 . 0 0 "[ . 1 . 2]" 1
273 1 23 THR MG 1 26 GLU HG3 5.400 . 5.940 3.796 3.155 4.161 . 0 0 "[ . 1 . 2]" 1
274 1 13 LEU MD2 1 26 GLU HG2 4.390 . 4.830 3.368 2.795 4.269 . 0 0 "[ . 1 . 2]" 1
275 1 13 LEU MD2 1 26 GLU HG3 4.390 . 4.830 3.824 2.784 4.410 . 0 0 "[ . 1 . 2]" 1
276 1 25 GLU HG3 1 28 ALA MB 5.210 . 5.730 4.038 3.488 4.643 . 0 0 "[ . 1 . 2]" 1
277 1 25 GLU HG2 1 28 ALA MB 5.210 . 5.730 4.692 4.106 5.792 0.062 6 0 "[ . 1 . 2]" 1
278 1 6 LYS HD3 1 36 GLU HG2 5.370 . 5.910 4.730 3.991 5.787 . 0 0 "[ . 1 . 2]" 1
279 1 24 GLU HG2 1 27 LYS QD 5.500 . 6.050 3.506 2.113 4.475 . 0 0 "[ . 1 . 2]" 1
280 1 12 GLU HG2 1 16 LYS HD2 5.500 . 6.050 3.520 1.958 5.530 . 0 0 "[ . 1 . 2]" 1
281 1 24 GLU HG3 1 27 LYS QD 5.500 . 6.050 4.531 3.701 4.990 . 0 0 "[ . 1 . 2]" 1
282 1 23 THR MG 1 24 GLU HG2 5.500 . 6.050 5.585 4.722 6.157 0.107 12 0 "[ . 1 . 2]" 1
283 1 23 THR MG 1 24 GLU HG3 5.500 . 6.050 5.518 4.842 6.178 0.128 11 0 "[ . 1 . 2]" 1
284 1 6 LYS HD3 1 36 GLU HG3 5.370 . 5.910 3.166 2.457 4.673 . 0 0 "[ . 1 . 2]" 1
285 1 33 LEU MD2 1 36 GLU HG3 4.930 . 5.420 3.172 2.425 4.127 . 0 0 "[ . 1 . 2]" 1
286 1 2 ILE MD 1 36 GLU HG3 5.410 . 5.950 4.598 3.672 5.347 . 0 0 "[ . 1 . 2]" 1
287 1 33 LEU MD2 1 36 GLU HG2 4.930 . 5.420 4.048 3.174 5.275 . 0 0 "[ . 1 . 2]" 1
288 1 2 ILE MD 1 36 GLU HG2 5.410 . 5.950 5.126 4.378 5.907 . 0 0 "[ . 1 . 2]" 1
289 1 9 ARG HA 1 12 GLU HG3 5.500 . 6.050 5.067 4.530 5.517 . 0 0 "[ . 1 . 2]" 1
290 1 12 GLU HG3 1 16 LYS HG3 4.780 . 5.260 3.665 2.820 4.425 . 0 0 "[ . 1 . 2]" 1
291 1 12 GLU HG2 1 16 LYS HG3 5.500 . 6.050 3.678 2.694 5.427 . 0 0 "[ . 1 . 2]" 1
292 1 12 GLU HG2 1 16 LYS HD3 5.500 . 6.050 4.783 2.974 6.053 0.003 10 0 "[ . 1 . 2]" 1
293 1 13 LEU MD1 1 29 GLU HG3 4.350 . 4.790 3.520 2.157 4.835 0.045 19 0 "[ . 1 . 2]" 1
294 1 29 GLU HG3 1 33 LEU MD1 4.170 . 4.590 2.894 2.250 3.961 . 0 0 "[ . 1 . 2]" 1
295 1 35 GLN HG3 1 38 LEU MD1 5.500 . 6.050 4.621 2.947 6.068 0.018 19 0 "[ . 1 . 2]" 1
296 1 35 GLN HG2 1 38 LEU MD1 5.500 . 6.050 4.508 3.137 5.441 . 0 0 "[ . 1 . 2]" 1
297 1 14 ALA HA 1 30 GLN HG3 5.500 . 6.050 5.098 4.351 5.719 . 0 0 "[ . 1 . 2]" 1
298 1 30 GLN HG3 1 31 GLN HA 5.500 . 6.050 5.179 4.479 5.567 . 0 0 "[ . 1 . 2]" 1
299 1 27 LYS HA 1 30 GLN HG3 5.500 . 6.050 5.322 4.845 5.790 . 0 0 "[ . 1 . 2]" 1
300 1 27 LYS HA 1 30 GLN HG2 5.020 . 5.520 4.881 4.130 5.259 . 0 0 "[ . 1 . 2]" 1
301 1 30 GLN HG3 1 34 ARG HD2 5.190 . 5.710 3.950 3.221 5.559 . 0 0 "[ . 1 . 2]" 1
302 1 30 GLN HG2 1 34 ARG HB2 5.500 . 6.050 4.515 4.041 4.862 . 0 0 "[ . 1 . 2]" 1
303 1 30 GLN HG2 1 34 ARG HG3 5.160 . 5.680 2.919 2.480 3.325 . 0 0 "[ . 1 . 2]" 1
304 1 13 LEU HB2 1 30 GLN HG3 4.490 . 4.940 3.117 2.526 3.695 . 0 0 "[ . 1 . 2]" 1
305 1 30 GLN HG3 1 34 ARG HG3 5.010 . 5.510 3.418 2.704 3.939 . 0 0 "[ . 1 . 2]" 1
306 1 17 ALA MB 1 30 GLN HG2 5.500 . 6.050 5.669 5.150 6.087 0.037 12 0 "[ . 1 . 2]" 1
307 1 30 GLN HG2 1 34 ARG HG2 5.500 . 6.050 4.158 3.644 4.710 . 0 0 "[ . 1 . 2]" 1
308 1 30 GLN HG3 1 34 ARG HG2 5.500 . 6.050 4.520 3.959 5.225 . 0 0 "[ . 1 . 2]" 1
309 1 13 LEU HB3 1 30 GLN HG2 5.000 . 5.500 4.907 4.562 5.141 . 0 0 "[ . 1 . 2]" 1
310 1 13 LEU HB3 1 30 GLN HG3 5.210 . 5.730 3.822 3.135 4.369 . 0 0 "[ . 1 . 2]" 1
311 1 10 ILE HG12 1 30 GLN HG3 5.500 . 6.050 3.658 2.818 4.235 . 0 0 "[ . 1 . 2]" 1
312 1 30 GLN HG3 1 33 LEU MD1 5.500 . 6.050 4.287 3.313 5.485 . 0 0 "[ . 1 . 2]" 1
313 1 10 ILE MG 1 30 GLN HG2 4.860 . 5.350 3.875 3.301 4.494 . 0 0 "[ . 1 . 2]" 1
314 1 13 LEU MD1 1 30 GLN HG2 5.210 . 5.730 4.303 3.904 4.524 . 0 0 "[ . 1 . 2]" 1
315 1 10 ILE MG 1 30 GLN HG3 4.680 . 5.150 2.936 2.459 3.484 . 0 0 "[ . 1 . 2]" 1
316 1 13 LEU MD1 1 30 GLN HG3 4.990 . 5.490 3.262 2.670 3.707 . 0 0 "[ . 1 . 2]" 1
317 1 10 ILE HG12 1 30 GLN HG2 5.500 . 6.050 4.728 4.023 5.357 . 0 0 "[ . 1 . 2]" 1
318 1 2 ILE MD 1 6 LYS HB2 4.310 . 4.740 2.897 2.191 3.296 . 0 0 "[ . 1 . 2]" 1
319 1 16 LYS HB2 1 22 ILE HA 4.650 . 5.120 3.796 3.414 4.189 . 0 0 "[ . 1 . 2]" 1
320 1 18 LYS HB3 1 19 ALA HA 4.740 . 5.210 4.524 4.396 4.690 . 0 0 "[ . 1 . 2]" 1
321 1 16 LYS HB2 1 16 LYS HE2 5.360 . 5.900 4.443 4.148 4.672 . 0 0 "[ . 1 . 2]" 1
322 1 27 LYS HB3 1 30 GLN HB3 4.560 . 5.020 4.499 3.990 5.032 0.012 6 0 "[ . 1 . 2]" 1
323 1 22 ILE MG 1 27 LYS HB2 4.670 . 5.140 4.752 4.504 5.135 . 0 0 "[ . 1 . 2]" 1
324 1 10 ILE HG13 1 33 LEU HB3 4.330 . 4.760 2.716 2.314 3.024 . 0 0 "[ . 1 . 2]" 1
325 1 22 ILE HA 1 26 GLU HB3 4.860 . 5.350 4.445 3.949 5.076 . 0 0 "[ . 1 . 2]" 1
326 1 27 LYS H 1 27 LYS QD 4.530 . 4.980 3.708 3.471 4.136 . 0 0 "[ . 1 . 2]" 1
327 1 9 ARG HD2 1 12 GLU HB3 5.300 . 5.830 3.004 2.120 4.467 . 0 0 "[ . 1 . 2]" 1
328 1 9 ARG HD2 1 12 GLU HB2 5.300 . 5.830 4.250 3.074 5.835 0.005 16 0 "[ . 1 . 2]" 1
329 1 9 ARG HD3 1 12 GLU HB3 5.300 . 5.830 4.312 3.079 4.930 . 0 0 "[ . 1 . 2]" 1
330 1 9 ARG HD3 1 12 GLU HB2 5.300 . 5.830 5.249 4.128 5.841 0.011 13 0 "[ . 1 . 2]" 1
331 1 24 GLU HA 1 27 LYS QD 3.670 . 4.040 2.119 1.748 2.986 0.052 6 0 "[ . 1 . 2]" 1
332 1 9 ARG HB3 1 33 LEU MD1 4.240 . 4.660 2.346 2.074 2.816 . 0 0 "[ . 1 . 2]" 1
333 1 10 ILE MG 1 34 ARG HB2 5.500 . 6.050 5.304 4.711 5.749 . 0 0 "[ . 1 . 2]" 1
334 1 13 LEU MD1 1 29 GLU HB3 4.310 . 4.740 2.770 2.366 3.275 . 0 0 "[ . 1 . 2]" 1
335 1 23 THR MG 1 24 GLU HB2 5.210 . 5.730 5.506 5.309 5.735 0.005 6 0 "[ . 1 . 2]" 1
336 1 17 ALA MB 1 30 GLN HB2 5.480 . 6.030 5.375 4.894 5.802 . 0 0 "[ . 1 . 2]" 1
337 1 24 GLU HB3 1 27 LYS QD 5.500 . 6.050 4.077 3.480 4.726 . 0 0 "[ . 1 . 2]" 1
338 1 30 GLN HB3 1 31 GLN HA 5.040 . 5.540 4.354 4.160 4.531 . 0 0 "[ . 1 . 2]" 1
339 1 18 LYS HA 1 18 LYS QD 3.870 . 4.260 4.040 2.905 4.277 0.017 14 0 "[ . 1 . 2]" 1
340 1 29 GLU HA 1 32 LYS QD 3.970 . 4.370 3.441 2.076 4.443 0.073 7 0 "[ . 1 . 2]" 1
341 1 2 ILE HA 1 6 LYS HD3 4.740 . 5.210 3.449 2.708 4.795 . 0 0 "[ . 1 . 2]" 1
342 1 6 LYS HD2 1 33 LEU MD2 4.260 . 4.690 3.708 3.312 4.015 . 0 0 "[ . 1 . 2]" 1
343 1 2 ILE HG12 1 37 TYR HA 4.930 . 5.420 4.476 2.431 5.187 . 0 0 "[ . 1 . 2]" 1
344 1 12 GLU HG2 1 13 LEU HG 5.460 . 6.010 4.222 3.641 5.056 . 0 0 "[ . 1 . 2]" 1
345 1 9 ARG HG3 1 33 LEU MD1 3.780 . 4.160 2.466 2.073 2.794 . 0 0 "[ . 1 . 2]" 1
346 1 9 ARG HG2 1 13 LEU MD1 4.510 . 4.960 3.365 3.112 3.612 . 0 0 "[ . 1 . 2]" 1
347 1 9 ARG HG2 1 33 LEU MD1 3.650 . 4.020 2.302 1.935 2.599 . 0 0 "[ . 1 . 2]" 1
348 1 13 LEU MD1 1 29 GLU HG2 4.350 . 4.790 2.998 2.059 3.933 . 0 0 "[ . 1 . 2]" 1
349 1 13 LEU MD1 1 29 GLU HB2 4.310 . 4.740 4.144 3.746 4.708 . 0 0 "[ . 1 . 2]" 1
350 1 13 LEU MD1 1 30 GLN HB2 3.560 . 3.920 2.079 1.862 2.387 . 0 0 "[ . 1 . 2]" 1
351 1 9 ARG HG3 1 13 LEU MD1 3.990 . 4.390 2.423 2.261 2.638 . 0 0 "[ . 1 . 2]" 1
352 1 6 LYS HD3 1 33 LEU MD2 3.920 . 4.310 2.332 1.894 2.734 . 0 0 "[ . 1 . 2]" 1
353 1 6 LYS HG2 1 33 LEU MD2 4.200 . 4.620 2.495 2.011 2.908 . 0 0 "[ . 1 . 2]" 1
354 1 6 LYS HE3 1 33 LEU MD2 4.470 . 4.920 3.911 2.578 4.706 . 0 0 "[ . 1 . 2]" 1
355 1 13 LEU MD2 1 26 GLU HB2 3.950 . 4.350 3.275 2.950 3.590 . 0 0 "[ . 1 . 2]" 1
356 1 12 GLU HG2 1 13 LEU MD2 4.690 . 5.160 3.361 2.620 4.250 . 0 0 "[ . 1 . 2]" 1
357 1 13 LEU MD2 1 16 LYS HE2 4.600 . 5.060 3.812 2.223 4.628 . 0 0 "[ . 1 . 2]" 1
358 1 13 LEU MD2 1 16 LYS HE3 4.600 . 5.060 3.283 2.721 3.774 . 0 0 "[ . 1 . 2]" 1
359 1 13 LEU MD2 1 26 GLU HA 4.210 . 4.630 3.470 3.032 3.736 . 0 0 "[ . 1 . 2]" 1
360 1 13 LEU H 1 13 LEU MD2 4.310 . 4.740 3.172 2.988 3.335 . 0 0 "[ . 1 . 2]" 1
361 1 16 LYS HE3 1 21 VAL MG2 4.490 . 4.940 4.782 4.180 5.046 0.106 17 0 "[ . 1 . 2]" 1
362 1 16 LYS HG3 1 21 VAL MG2 4.000 . 4.400 3.765 3.336 3.932 . 0 0 "[ . 1 . 2]" 1
363 1 16 LYS HB3 1 21 VAL MG2 3.130 . 3.440 2.381 1.956 2.707 . 0 0 "[ . 1 . 2]" 1
364 1 16 LYS HG2 1 21 VAL MG2 3.570 . 3.930 2.448 2.061 2.699 . 0 0 "[ . 1 . 2]" 1
365 1 16 LYS HB2 1 21 VAL MG2 4.010 . 4.410 3.755 3.478 3.958 . 0 0 "[ . 1 . 2]" 1
366 1 15 ALA MB 1 18 LYS QE 4.180 . 4.600 3.959 3.045 4.638 0.038 11 0 "[ . 1 . 2]" 1
367 1 11 ASN HB3 1 14 ALA MB 4.490 . 4.940 4.293 3.849 4.732 . 0 0 "[ . 1 . 2]" 1
368 1 7 ILE MG 1 8 ALA MB 4.360 . 4.800 4.105 3.853 4.265 . 0 0 "[ . 1 . 2]" 1
369 1 17 ALA MB 1 22 ILE MG 3.220 . 3.540 2.536 2.191 3.111 . 0 0 "[ . 1 . 2]" 1
370 1 4 ASN HA 1 7 ILE MG 4.570 . 5.030 3.887 3.629 4.307 . 0 0 "[ . 1 . 2]" 1
371 1 22 ILE MG 1 27 LYS HE2 4.350 . 4.790 4.221 2.127 4.815 0.025 1 0 "[ . 1 . 2]" 1
372 1 22 ILE MG 1 23 THR HA 5.050 . 5.560 4.229 3.905 4.410 . 0 0 "[ . 1 . 2]" 1
373 1 2 ILE MD 1 37 TYR HB2 3.990 . 4.390 2.220 1.916 2.668 . 0 0 "[ . 1 . 2]" 1
374 1 2 ILE MD 1 37 TYR HA 3.890 . 4.280 2.677 2.265 3.205 . 0 0 "[ . 1 . 2]" 1
375 1 22 ILE MD 1 30 GLN HB2 4.080 . 4.490 3.096 2.731 3.529 . 0 0 "[ . 1 . 2]" 1
376 1 16 LYS HB2 1 22 ILE MD 4.030 . 4.430 2.887 2.552 3.240 . 0 0 "[ . 1 . 2]" 1
377 1 22 ILE MD 1 28 ALA H 5.500 . 6.050 4.985 4.851 5.127 . 0 0 "[ . 1 . 2]" 1
378 1 10 ILE MD 1 33 LEU HA 4.900 . 5.390 3.899 3.740 4.284 . 0 0 "[ . 1 . 2]" 1
379 1 7 ILE HA 1 10 ILE MD 3.590 . 3.950 2.308 1.942 2.626 . 0 0 "[ . 1 . 2]" 1
380 1 10 ILE MD 1 37 TYR HB3 4.270 . 4.700 3.525 3.198 3.950 . 0 0 "[ . 1 . 2]" 1
381 1 10 ILE MD 1 37 TYR HB2 3.840 . 4.220 2.620 2.190 3.085 . 0 0 "[ . 1 . 2]" 1
382 1 10 ILE MD 1 33 LEU HB3 3.740 . 4.110 2.305 2.047 2.710 . 0 0 "[ . 1 . 2]" 1
383 1 7 ILE MD 1 37 TYR QE 4.560 . 5.020 3.338 1.997 4.576 . 0 0 "[ . 1 . 2]" 1
384 1 2 ILE MD 1 6 LYS HB3 4.310 . 4.740 2.850 2.186 3.180 . 0 0 "[ . 1 . 2]" 1
385 1 22 ILE MD 1 27 LYS HG3 4.220 . 4.640 2.774 2.445 3.181 . 0 0 "[ . 1 . 2]" 1
386 1 22 ILE MD 1 27 LYS HG2 4.220 . 4.640 2.255 1.935 2.579 . 0 0 "[ . 1 . 2]" 1
387 1 6 LYS HG3 1 33 LEU MD2 4.200 . 4.620 3.798 3.495 4.066 . 0 0 "[ . 1 . 2]" 1
388 1 2 ILE MD 1 6 LYS HG3 4.850 . 5.330 4.867 3.913 5.165 . 0 0 "[ . 1 . 2]" 1
389 1 2 ILE MD 1 6 LYS HG2 4.850 . 5.330 4.852 3.951 5.157 . 0 0 "[ . 1 . 2]" 1
390 1 10 ILE HG12 1 34 ARG HG2 4.110 . 4.520 4.125 3.719 4.539 0.019 15 0 "[ . 1 . 2]" 1
391 1 10 ILE HG12 1 34 ARG HG3 4.400 . 4.840 3.577 3.214 3.829 . 0 0 "[ . 1 . 2]" 1
392 1 10 ILE MG 1 34 ARG HG2 4.840 . 5.320 3.070 2.425 3.585 . 0 0 "[ . 1 . 2]" 1
393 1 10 ILE MD 1 34 ARG HG3 5.500 . 6.050 3.402 2.909 3.760 . 0 0 "[ . 1 . 2]" 1
394 1 10 ILE MG 1 34 ARG HG3 5.330 . 5.860 3.335 2.692 3.716 . 0 0 "[ . 1 . 2]" 1
395 1 10 ILE MD 1 34 ARG HG2 4.510 . 4.960 3.002 2.602 3.323 . 0 0 "[ . 1 . 2]" 1
396 1 7 ILE HG12 1 10 ILE MD 4.560 . 5.020 3.330 2.822 3.907 . 0 0 "[ . 1 . 2]" 1
397 1 10 ILE MG 1 14 ALA MB 4.020 . 4.420 2.980 2.810 3.291 . 0 0 "[ . 1 . 2]" 1
398 1 16 LYS HB3 1 22 ILE H 5.260 . 5.790 3.327 2.916 3.805 . 0 0 "[ . 1 . 2]" 1
399 1 7 ILE HG12 1 37 TYR QD 5.500 . 6.050 2.954 2.212 3.825 . 0 0 "[ . 1 . 2]" 1
400 1 22 ILE MG 1 27 LYS HG3 3.830 . 4.210 2.731 2.471 3.120 . 0 0 "[ . 1 . 2]" 1
401 1 16 LYS HB2 1 22 ILE MG 4.170 . 4.590 3.943 3.720 4.204 . 0 0 "[ . 1 . 2]" 1
402 1 22 ILE MG 1 27 LYS HG2 3.830 . 4.210 2.656 2.325 3.185 . 0 0 "[ . 1 . 2]" 1
403 1 22 ILE MG 1 27 LYS QD 3.780 . 4.160 2.584 2.168 3.934 . 0 0 "[ . 1 . 2]" 1
404 1 10 ILE MG 1 14 ALA HA 5.490 . 6.040 4.849 4.672 5.066 . 0 0 "[ . 1 . 2]" 1
405 1 14 ALA HA 1 22 ILE MD 5.500 . 6.050 4.266 3.728 4.710 . 0 0 "[ . 1 . 2]" 1
406 1 14 ALA HA 1 17 ALA MB 3.140 . 3.450 2.525 2.330 2.858 . 0 0 "[ . 1 . 2]" 1
407 1 17 ALA MB 1 22 ILE MD 3.430 . 3.770 2.565 2.233 2.785 . 0 0 "[ . 1 . 2]" 1
408 1 31 GLN HA 1 34 ARG HB3 4.670 . 5.140 4.264 3.910 4.621 . 0 0 "[ . 1 . 2]" 1
409 1 34 ARG HB3 1 35 GLN HA 5.120 . 5.630 4.522 4.356 4.616 . 0 0 "[ . 1 . 2]" 1
410 1 31 GLN HA 1 34 ARG HB2 3.540 . 3.890 2.675 2.337 2.951 . 0 0 "[ . 1 . 2]" 1
411 1 5 ALA HA 1 8 ALA H 4.090 . 4.500 3.638 3.388 4.083 . 0 0 "[ . 1 . 2]" 1
412 1 10 ILE MD 1 37 TYR QD 4.370 . 4.810 3.302 2.469 4.011 . 0 0 "[ . 1 . 2]" 1
413 1 37 TYR QD 1 38 LEU MD2 4.330 . 4.760 2.611 2.322 3.032 . 0 0 "[ . 1 . 2]" 1
414 1 9 ARG HB2 1 33 LEU MD1 4.240 . 4.660 3.575 3.228 3.888 . 0 0 "[ . 1 . 2]" 1
415 1 29 GLU HG2 1 33 LEU MD1 4.170 . 4.590 2.990 2.182 3.856 . 0 0 "[ . 1 . 2]" 1
416 1 22 ILE HA 1 23 THR MG 4.310 . 4.740 3.697 3.553 3.862 . 0 0 "[ . 1 . 2]" 1
417 1 10 ILE MD 1 33 LEU HB2 4.510 . 4.960 3.041 2.686 3.525 . 0 0 "[ . 1 . 2]" 1
418 1 10 ILE MG 1 33 LEU HB3 5.420 . 5.960 4.602 4.208 4.875 . 0 0 "[ . 1 . 2]" 1
419 1 13 LEU MD1 1 33 LEU HB3 5.500 . 6.050 5.087 4.683 5.634 . 0 0 "[ . 1 . 2]" 1
420 1 10 ILE MG 1 33 LEU HB2 5.500 . 6.050 4.262 4.029 4.452 . 0 0 "[ . 1 . 2]" 1
421 1 13 LEU MD1 1 33 LEU HB2 5.500 . 6.050 4.155 3.680 4.729 . 0 0 "[ . 1 . 2]" 1
422 1 37 TYR HB2 1 38 LEU HG 5.500 . 6.050 5.042 4.678 5.286 . 0 0 "[ . 1 . 2]" 1
423 1 38 LEU HG 1 41 PHE HB2 5.500 . 6.050 5.513 4.388 6.098 0.048 19 0 "[ . 1 . 2]" 1
424 1 16 LYS HB3 1 22 ILE HA 4.500 . 4.950 2.725 2.445 3.052 . 0 0 "[ . 1 . 2]" 1
425 1 13 LEU HA 1 16 LYS HB3 4.520 . 4.970 3.965 3.746 4.162 . 0 0 "[ . 1 . 2]" 1
426 1 9 ARG HD2 1 13 LEU MD1 4.880 . 5.370 3.569 2.563 4.260 . 0 0 "[ . 1 . 2]" 1
427 1 9 ARG HD2 1 13 LEU MD2 5.330 . 5.860 3.360 2.513 3.822 . 0 0 "[ . 1 . 2]" 1
428 1 9 ARG HD3 1 13 LEU MD1 4.880 . 5.370 4.355 3.567 4.796 . 0 0 "[ . 1 . 2]" 1
429 1 9 ARG HD3 1 13 LEU MD2 5.330 . 5.860 4.387 3.476 4.750 . 0 0 "[ . 1 . 2]" 1
430 1 19 ALA MB 1 21 VAL MG1 3.550 . 3.900 2.544 2.380 2.783 . 0 0 "[ . 1 . 2]" 1
431 1 34 ARG HA 1 37 TYR QD 5.080 . 5.590 4.053 3.611 4.480 . 0 0 "[ . 1 . 2]" 1
432 1 29 GLU HG3 1 33 LEU HG 4.800 . 5.280 2.940 2.300 3.641 . 0 0 "[ . 1 . 2]" 1
433 1 29 GLU HG2 1 33 LEU HG 4.800 . 5.280 3.617 2.379 4.834 . 0 0 "[ . 1 . 2]" 1
434 1 25 GLU HA 1 28 ALA MB 2.970 . 3.270 2.736 2.439 2.978 . 0 0 "[ . 1 . 2]" 1
435 1 31 GLN HA 1 34 ARG HG2 4.950 . 5.440 4.885 4.511 5.360 . 0 0 "[ . 1 . 2]" 1
436 1 31 GLN HA 1 34 ARG HG3 4.860 . 5.350 3.589 3.189 4.138 . 0 0 "[ . 1 . 2]" 1
437 1 2 ILE MG 1 36 GLU HA 5.030 . 5.530 4.841 4.182 5.551 0.021 2 0 "[ . 1 . 2]" 1
438 1 2 ILE MG 1 37 TYR HA 4.160 . 4.580 2.178 1.784 2.994 0.016 15 0 "[ . 1 . 2]" 1
439 1 5 ALA HA 1 8 ALA MB 3.160 . 3.480 2.825 2.530 3.104 . 0 0 "[ . 1 . 2]" 1
440 1 22 ILE MD 1 27 LYS HA 3.520 . 3.870 2.370 2.137 2.610 . 0 0 "[ . 1 . 2]" 1
441 1 14 ALA HA 1 18 LYS H 5.130 . 5.640 4.113 3.860 4.312 . 0 0 "[ . 1 . 2]" 1
442 1 30 GLN HG2 1 34 ARG HD2 5.220 . 5.740 2.882 1.853 4.388 . 0 0 "[ . 1 . 2]" 1
443 1 30 GLN HG2 1 34 ARG HD3 5.220 . 5.740 3.153 2.407 4.373 . 0 0 "[ . 1 . 2]" 1
444 1 12 GLU HG2 1 16 LYS HE3 4.830 . 5.310 3.280 1.934 4.908 . 0 0 "[ . 1 . 2]" 1
445 1 16 LYS HB3 1 21 VAL HB 5.110 . 5.620 4.694 4.223 4.999 . 0 0 "[ . 1 . 2]" 1
446 1 19 ALA MB 1 21 VAL HB 4.730 . 5.200 4.509 4.397 4.811 . 0 0 "[ . 1 . 2]" 1
447 1 18 LYS HB2 1 19 ALA MB 5.180 . 5.700 4.330 3.812 5.318 . 0 0 "[ . 1 . 2]" 1
448 1 18 LYS HB3 1 19 ALA MB 5.500 . 6.050 4.513 3.789 4.920 . 0 0 "[ . 1 . 2]" 1
449 1 13 LEU MD1 1 30 GLN HB3 4.460 . 4.910 3.417 3.185 3.638 . 0 0 "[ . 1 . 2]" 1
450 1 22 ILE MD 1 30 GLN HB3 4.900 . 5.390 3.522 3.004 4.018 . 0 0 "[ . 1 . 2]" 1
451 1 9 ARG HA 1 12 GLU HB2 4.070 . 4.480 3.285 2.662 3.585 . 0 0 "[ . 1 . 2]" 1
452 1 22 ILE MG 1 27 LYS HE3 4.350 . 4.790 3.588 2.298 4.219 . 0 0 "[ . 1 . 2]" 1
453 1 10 ILE HA 1 13 LEU MD1 4.300 . 4.730 3.108 2.536 3.620 . 0 0 "[ . 1 . 2]" 1
454 1 10 ILE HA 1 13 LEU HG 4.900 . 5.390 3.776 3.370 4.163 . 0 0 "[ . 1 . 2]" 1
455 1 13 LEU MD2 1 30 GLN HB2 4.680 . 5.150 3.861 3.546 4.070 . 0 0 "[ . 1 . 2]" 1
456 1 35 GLN HA 1 38 LEU H 4.020 . 4.420 3.202 2.955 3.505 . 0 0 "[ . 1 . 2]" 1
457 1 46 LYS HA 1 47 LEU H 3.560 . 3.920 2.544 2.132 3.329 . 0 0 "[ . 1 . 2]" 1
458 1 7 ILE H 1 7 ILE HB 3.220 . 3.540 2.582 2.558 2.646 . 0 0 "[ . 1 . 2]" 1
459 1 8 ALA H 1 8 ALA MB 2.960 . 3.260 2.239 2.233 2.253 . 0 0 "[ . 1 . 2]" 1
460 1 10 ILE H 1 10 ILE HB 3.230 . 3.550 2.529 2.474 2.591 . 0 0 "[ . 1 . 2]" 1
461 1 14 ALA H 1 14 ALA MB 2.960 . 3.260 2.247 2.236 2.257 . 0 0 "[ . 1 . 2]" 1
462 1 14 ALA MB 1 15 ALA H 3.060 . 3.370 2.481 2.340 2.679 . 0 0 "[ . 1 . 2]" 1
463 1 17 ALA H 1 17 ALA MB 2.910 . 3.200 2.246 2.234 2.263 . 0 0 "[ . 1 . 2]" 1
464 1 19 ALA H 1 19 ALA MB 2.870 . 3.160 2.273 2.245 2.309 . 0 0 "[ . 1 . 2]" 1
465 1 22 ILE H 1 22 ILE HB 3.250 . 3.580 2.710 2.545 2.879 . 0 0 "[ . 1 . 2]" 1
466 1 28 ALA H 1 28 ALA MB 2.940 . 3.230 2.239 2.228 2.251 . 0 0 "[ . 1 . 2]" 1
467 1 6 LYS H 1 6 LYS HB2 3.800 . 4.180 2.444 2.303 2.546 . 0 0 "[ . 1 . 2]" 1
468 1 9 ARG H 1 9 ARG HB2 3.430 . 3.770 2.510 2.449 2.573 . 0 0 "[ . 1 . 2]" 1
469 1 11 ASN H 1 11 ASN HB2 3.350 . 3.690 2.486 2.350 2.597 . 0 0 "[ . 1 . 2]" 1
470 1 12 GLU H 1 12 GLU HB2 3.270 . 3.600 2.552 2.390 2.638 . 0 0 "[ . 1 . 2]" 1
471 1 13 LEU H 1 13 LEU HB2 3.470 . 3.820 2.509 2.449 2.560 . 0 0 "[ . 1 . 2]" 1
472 1 16 LYS H 1 16 LYS HB2 3.380 . 3.720 2.501 2.397 2.636 . 0 0 "[ . 1 . 2]" 1
473 1 24 GLU H 1 24 GLU HB3 3.660 . 4.030 3.592 3.570 3.621 . 0 0 "[ . 1 . 2]" 1
474 1 24 GLU HB2 1 25 GLU H 3.340 . 3.670 2.666 2.147 3.049 . 0 0 "[ . 1 . 2]" 1
475 1 25 GLU H 1 25 GLU HB2 3.610 . 3.970 2.569 2.452 2.674 . 0 0 "[ . 1 . 2]" 1
476 1 26 GLU H 1 26 GLU HB2 3.810 . 4.190 2.496 2.419 2.581 . 0 0 "[ . 1 . 2]" 1
477 1 27 LYS H 1 27 LYS HB2 3.230 . 3.550 2.477 2.396 2.568 . 0 0 "[ . 1 . 2]" 1
478 1 29 GLU H 1 29 GLU HB2 3.350 . 3.690 2.525 2.384 2.617 . 0 0 "[ . 1 . 2]" 1
479 1 30 GLN H 1 30 GLN HB3 3.300 . 3.630 2.547 2.390 2.666 . 0 0 "[ . 1 . 2]" 1
480 1 31 GLN H 1 31 GLN HB2 3.390 . 3.730 2.526 2.430 2.614 . 0 0 "[ . 1 . 2]" 1
481 1 31 GLN H 1 31 GLN HB3 3.390 . 3.730 2.839 2.374 3.612 . 0 0 "[ . 1 . 2]" 1
482 1 32 LYS H 1 32 LYS HB2 3.240 . 3.560 2.517 2.421 2.671 . 0 0 "[ . 1 . 2]" 1
483 1 34 ARG H 1 34 ARG HB2 3.020 . 3.320 2.423 2.318 2.518 . 0 0 "[ . 1 . 2]" 1
484 1 35 GLN H 1 35 GLN HB2 3.730 . 4.100 2.465 2.228 2.582 . 0 0 "[ . 1 . 2]" 1
485 1 35 GLN HB3 1 36 GLU H 4.000 . 4.400 3.526 3.226 3.709 . 0 0 "[ . 1 . 2]" 1
486 1 37 TYR H 1 37 TYR HB3 3.470 . 3.820 2.514 2.390 2.610 . 0 0 "[ . 1 . 2]" 1
487 1 38 LEU HB2 1 39 LYS H 3.910 . 4.300 3.001 2.066 3.526 . 0 0 "[ . 1 . 2]" 1
488 1 41 PHE H 1 41 PHE HB2 3.980 . 4.380 2.592 2.364 2.830 . 0 0 "[ . 1 . 2]" 1
489 1 6 LYS H 1 6 LYS HB3 3.800 . 4.180 3.605 3.574 3.628 . 0 0 "[ . 1 . 2]" 1
490 1 9 ARG H 1 9 ARG HB3 3.430 . 3.770 2.541 2.413 2.678 . 0 0 "[ . 1 . 2]" 1
491 1 11 ASN H 1 11 ASN HB3 3.790 . 4.170 3.602 3.585 3.617 . 0 0 "[ . 1 . 2]" 1
492 1 12 GLU H 1 12 GLU HB3 3.270 . 3.600 2.490 2.369 2.642 . 0 0 "[ . 1 . 2]" 1
493 1 13 LEU H 1 13 LEU HB3 3.920 . 4.310 3.593 3.582 3.604 . 0 0 "[ . 1 . 2]" 1
494 1 16 LYS H 1 16 LYS HB3 3.600 . 3.960 3.600 3.573 3.624 . 0 0 "[ . 1 . 2]" 1
495 1 18 LYS H 1 18 LYS HB2 2.990 . 3.290 2.478 2.313 2.534 . 0 0 "[ . 1 . 2]" 1
496 1 24 GLU H 1 24 GLU HB2 3.220 . 3.540 2.602 2.523 2.678 . 0 0 "[ . 1 . 2]" 1
497 1 25 GLU H 1 25 GLU HB3 3.610 . 3.970 2.545 2.415 3.604 . 0 0 "[ . 1 . 2]" 1
498 1 26 GLU H 1 26 GLU HB3 3.810 . 4.190 3.604 3.589 3.629 . 0 0 "[ . 1 . 2]" 1
499 1 27 LYS H 1 27 LYS HB3 3.560 . 3.920 3.602 3.581 3.633 . 0 0 "[ . 1 . 2]" 1
500 1 30 GLN H 1 30 GLN HB2 3.270 . 3.600 2.523 2.411 2.668 . 0 0 "[ . 1 . 2]" 1
501 1 32 LYS H 1 32 LYS HB3 3.240 . 3.560 2.536 2.294 3.577 0.017 11 0 "[ . 1 . 2]" 1
502 1 33 LEU H 1 33 LEU HB3 3.910 . 4.300 3.595 3.577 3.614 . 0 0 "[ . 1 . 2]" 1
503 1 35 GLN H 1 35 GLN HB3 3.730 . 4.100 3.607 3.528 3.634 . 0 0 "[ . 1 . 2]" 1
504 1 36 GLU H 1 36 GLU HB3 4.040 . 4.440 3.577 3.162 3.621 . 0 0 "[ . 1 . 2]" 1
505 1 37 TYR H 1 37 TYR HB2 3.470 . 3.820 2.501 2.404 2.622 . 0 0 "[ . 1 . 2]" 1
506 1 38 LEU H 1 38 LEU HB3 3.780 . 4.160 3.613 3.596 3.636 . 0 0 "[ . 1 . 2]" 1
507 1 41 PHE H 1 41 PHE HB3 3.980 . 4.380 2.680 2.442 3.620 . 0 0 "[ . 1 . 2]" 1
508 1 6 LYS H 1 7 ILE H 2.580 . 2.840 2.657 2.511 2.816 . 0 0 "[ . 1 . 2]" 1
509 1 8 ALA H 1 9 ARG H 3.630 . 3.990 2.752 2.644 2.853 . 0 0 "[ . 1 . 2]" 1
510 1 10 ILE H 1 11 ASN H 3.600 . 3.960 2.830 2.767 2.916 . 0 0 "[ . 1 . 2]" 1
511 1 13 LEU H 1 14 ALA H 3.610 . 3.970 2.679 2.548 2.826 . 0 0 "[ . 1 . 2]" 1
512 1 14 ALA H 1 15 ALA H 3.470 . 3.820 2.731 2.597 2.841 . 0 0 "[ . 1 . 2]" 1
513 1 16 LYS H 1 17 ALA H 3.480 . 3.830 2.748 2.605 2.850 . 0 0 "[ . 1 . 2]" 1
514 1 18 LYS H 1 19 ALA H 3.290 . 3.620 2.669 2.496 2.777 . 0 0 "[ . 1 . 2]" 1
515 1 19 ALA H 1 20 GLY H 3.460 . 3.810 2.466 2.336 2.627 . 0 0 "[ . 1 . 2]" 1
516 1 20 GLY H 1 21 VAL H 3.230 . 3.550 2.512 2.171 2.710 . 0 0 "[ . 1 . 2]" 1
517 1 22 ILE H 1 23 THR H 5.350 . 5.890 4.552 4.465 4.619 . 0 0 "[ . 1 . 2]" 1
518 1 28 ALA H 1 29 GLU H 3.370 . 3.710 2.730 2.605 2.827 . 0 0 "[ . 1 . 2]" 1
519 1 29 GLU H 1 30 GLN H 3.300 . 3.630 2.762 2.654 2.891 . 0 0 "[ . 1 . 2]" 1
520 1 31 GLN H 1 32 LYS H 3.380 . 3.720 2.818 2.724 3.042 . 0 0 "[ . 1 . 2]" 1
521 1 33 LEU H 1 34 ARG H 3.560 . 3.920 2.697 2.582 2.784 . 0 0 "[ . 1 . 2]" 1
522 1 37 TYR H 1 38 LEU H 3.770 . 4.150 2.633 2.499 2.785 . 0 0 "[ . 1 . 2]" 1
523 1 38 LEU H 1 39 LYS H 3.660 . 4.030 2.585 2.458 2.982 . 0 0 "[ . 1 . 2]" 1
524 1 39 LYS H 1 40 GLY H 4.630 . 5.090 4.041 2.724 4.503 . 0 0 "[ . 1 . 2]" 1
525 1 14 ALA HA 1 17 ALA H 3.650 . 4.020 3.359 3.178 3.610 . 0 0 "[ . 1 . 2]" 1
526 1 22 ILE HA 1 23 THR H 3.170 . 3.490 2.201 2.162 2.242 . 0 0 "[ . 1 . 2]" 1
527 1 23 THR HA 1 24 GLU H 3.230 . 3.550 2.402 2.315 2.529 . 0 0 "[ . 1 . 2]" 1
528 1 27 LYS HA 1 30 GLN H 4.030 . 4.430 3.452 3.284 3.697 . 0 0 "[ . 1 . 2]" 1
529 1 34 ARG HA 1 37 TYR H 4.090 . 4.500 3.099 2.783 3.331 . 0 0 "[ . 1 . 2]" 1
530 1 47 LEU HA 1 48 GLU H 3.490 . 3.840 2.410 2.139 3.400 . 0 0 "[ . 1 . 2]" 1
531 1 13 LEU H 1 13 LEU HG 3.300 . 3.630 2.232 2.126 2.365 . 0 0 "[ . 1 . 2]" 1
532 1 33 LEU H 1 33 LEU HB2 3.080 . 3.390 2.510 2.416 2.588 . 0 0 "[ . 1 . 2]" 1
533 1 38 LEU H 1 38 LEU HB2 3.090 . 3.400 2.446 2.413 2.522 . 0 0 "[ . 1 . 2]" 1
534 1 6 LYS H 1 6 LYS HG2 3.920 . 4.310 3.560 3.373 3.908 . 0 0 "[ . 1 . 2]" 1
535 1 7 ILE H 1 7 ILE MG 3.940 . 4.330 3.790 3.781 3.800 . 0 0 "[ . 1 . 2]" 1
536 1 9 ARG H 1 9 ARG HG2 4.870 . 5.360 4.613 4.564 4.658 . 0 0 "[ . 1 . 2]" 1
537 1 10 ILE H 1 10 ILE MG 4.030 . 4.430 3.791 3.777 3.801 . 0 0 "[ . 1 . 2]" 1
538 1 12 GLU H 1 12 GLU HG2 4.530 . 4.980 4.492 4.389 4.604 . 0 0 "[ . 1 . 2]" 1
539 1 16 LYS H 1 16 LYS HG3 3.380 . 3.720 2.243 1.946 2.451 . 0 0 "[ . 1 . 2]" 1
540 1 17 ALA MB 1 18 LYS H 3.190 . 3.510 2.450 2.276 2.677 . 0 0 "[ . 1 . 2]" 1
541 1 21 VAL MG2 1 22 ILE H 3.240 . 3.560 3.272 2.904 3.581 0.021 16 0 "[ . 1 . 2]" 1
542 1 23 THR H 1 23 THR MG 3.250 . 3.580 2.365 2.109 2.635 . 0 0 "[ . 1 . 2]" 1
543 1 26 GLU H 1 26 GLU HG2 3.620 . 3.980 3.096 2.067 3.657 . 0 0 "[ . 1 . 2]" 1
544 1 29 GLU H 1 30 GLN HB3 5.400 . 5.940 4.885 4.727 5.041 . 0 0 "[ . 1 . 2]" 1
545 1 32 LYS H 1 32 LYS HG2 4.550 . 5.010 4.389 3.347 4.552 . 0 0 "[ . 1 . 2]" 1
546 1 34 ARG H 1 34 ARG HG3 3.840 . 4.220 2.432 2.235 2.755 . 0 0 "[ . 1 . 2]" 1
547 1 35 GLN H 1 35 GLN HG2 4.140 . 4.550 2.838 2.154 4.100 . 0 0 "[ . 1 . 2]" 1
548 1 36 GLU H 1 36 GLU HG2 4.280 . 4.710 2.409 2.018 3.768 . 0 0 "[ . 1 . 2]" 1
549 1 46 LYS H 1 46 LYS HG2 5.480 . 6.030 3.896 2.006 5.303 . 0 0 "[ . 1 . 2]" 1
550 1 48 GLU H 1 48 GLU HG2 4.850 . 5.330 3.544 1.794 4.799 0.006 2 0 "[ . 1 . 2]" 1
551 1 6 LYS H 1 6 LYS HG3 3.920 . 4.310 2.396 2.193 2.753 . 0 0 "[ . 1 . 2]" 1
552 1 8 ALA MB 1 9 ARG H 3.380 . 3.720 2.536 2.369 2.683 . 0 0 "[ . 1 . 2]" 1
553 1 12 GLU H 1 12 GLU HG3 4.740 . 5.210 4.476 4.369 4.533 . 0 0 "[ . 1 . 2]" 1
554 1 16 LYS H 1 16 LYS HG2 3.810 . 4.190 3.433 3.145 3.633 . 0 0 "[ . 1 . 2]" 1
555 1 24 GLU H 1 24 GLU HG2 3.990 . 4.390 2.633 1.899 3.154 . 0 0 "[ . 1 . 2]" 1
556 1 24 GLU H 1 24 GLU HG3 3.990 . 4.390 2.648 1.908 3.567 . 0 0 "[ . 1 . 2]" 1
557 1 26 GLU H 1 26 GLU HG3 3.620 . 3.980 2.697 2.119 3.756 . 0 0 "[ . 1 . 2]" 1
558 1 27 LYS H 1 27 LYS HG3 4.230 . 4.650 2.280 2.019 2.461 . 0 0 "[ . 1 . 2]" 1
559 1 29 GLU H 1 29 GLU HB3 3.350 . 3.690 2.531 2.402 2.661 . 0 0 "[ . 1 . 2]" 1
560 1 30 GLN H 1 30 GLN HG3 4.530 . 4.980 4.459 4.388 4.503 . 0 0 "[ . 1 . 2]" 1
561 1 32 LYS H 1 32 LYS HG3 4.550 . 5.010 4.344 1.960 4.556 . 0 0 "[ . 1 . 2]" 1
562 1 34 ARG H 1 34 ARG HG2 4.400 . 4.840 3.611 3.370 3.857 . 0 0 "[ . 1 . 2]" 1
563 1 35 GLN H 1 35 GLN HG3 4.140 . 4.550 3.592 2.250 4.113 . 0 0 "[ . 1 . 2]" 1
564 1 39 LYS H 1 39 LYS HG3 4.410 . 4.850 3.469 2.200 4.542 . 0 0 "[ . 1 . 2]" 1
565 1 46 LYS H 1 46 LYS HG3 5.480 . 6.030 3.979 2.369 4.992 . 0 0 "[ . 1 . 2]" 1
566 1 48 GLU H 1 48 GLU HG3 4.850 . 5.330 3.578 2.142 5.267 . 0 0 "[ . 1 . 2]" 1
567 1 7 ILE H 1 7 ILE MD 4.310 . 4.740 3.581 3.529 3.656 . 0 0 "[ . 1 . 2]" 1
568 1 10 ILE H 1 10 ILE MD 4.080 . 4.490 3.628 3.572 3.728 . 0 0 "[ . 1 . 2]" 1
569 1 13 LEU H 1 13 LEU MD1 3.780 . 4.160 3.650 3.490 3.736 . 0 0 "[ . 1 . 2]" 1
570 1 22 ILE H 1 22 ILE MD 4.470 . 4.920 4.480 4.403 4.584 . 0 0 "[ . 1 . 2]" 1
571 1 33 LEU H 1 33 LEU MD1 3.930 . 4.320 3.630 3.506 3.728 . 0 0 "[ . 1 . 2]" 1
572 1 37 TYR H 1 37 TYR QD 4.710 . 5.180 4.197 4.177 4.229 . 0 0 "[ . 1 . 2]" 1
573 1 38 LEU H 1 38 LEU MD1 3.950 . 4.350 3.724 3.616 3.843 . 0 0 "[ . 1 . 2]" 1
574 1 41 PHE H 1 41 PHE QD 5.030 . 5.530 4.019 2.360 4.261 . 0 0 "[ . 1 . 2]" 1
575 1 47 LEU H 1 47 LEU MD1 5.470 . 6.020 3.943 1.981 4.965 . 0 0 "[ . 1 . 2]" 1
576 1 9 ARG H 1 9 ARG HD2 5.390 . 5.930 4.795 4.403 5.806 . 0 0 "[ . 1 . 2]" 1
577 1 33 LEU H 1 33 LEU MD2 4.170 . 4.590 3.223 2.968 3.564 . 0 0 "[ . 1 . 2]" 1
578 1 34 ARG H 1 34 ARG HD2 5.200 . 5.720 4.670 4.136 4.939 . 0 0 "[ . 1 . 2]" 1
579 1 38 LEU H 1 38 LEU MD2 4.200 . 4.620 3.454 3.221 3.646 . 0 0 "[ . 1 . 2]" 1
580 1 47 LEU H 1 47 LEU MD2 5.470 . 6.020 3.596 1.736 5.069 0.064 11 0 "[ . 1 . 2]" 1
581 1 6 LYS H 1 7 ILE HG13 4.210 . 4.630 4.206 4.065 4.431 . 0 0 "[ . 1 . 2]" 1
582 1 9 ARG H 1 9 ARG HD3 5.390 . 5.930 4.684 4.385 4.902 . 0 0 "[ . 1 . 2]" 1
583 1 15 ALA MB 1 16 LYS H 3.100 . 3.410 2.437 2.318 2.658 . 0 0 "[ . 1 . 2]" 1
584 1 18 LYS H 1 18 LYS QD 4.730 . 5.200 4.067 2.157 4.723 . 0 0 "[ . 1 . 2]" 1
585 1 32 LYS H 1 32 LYS QD 4.730 . 5.200 4.424 3.549 4.794 . 0 0 "[ . 1 . 2]" 1
586 1 34 ARG H 1 34 ARG HD3 5.200 . 5.720 4.312 3.808 4.942 . 0 0 "[ . 1 . 2]" 1
587 1 7 ILE H 1 7 ILE HG13 3.370 . 3.710 2.057 1.947 2.157 . 0 0 "[ . 1 . 2]" 1
588 1 10 ILE H 1 10 ILE HG13 3.340 . 3.670 2.195 2.043 2.302 . 0 0 "[ . 1 . 2]" 1
589 1 22 ILE H 1 22 ILE HG12 4.620 . 5.080 4.493 4.439 4.544 . 0 0 "[ . 1 . 2]" 1
590 1 7 ILE H 1 7 ILE HG12 3.760 . 4.140 3.296 3.190 3.357 . 0 0 "[ . 1 . 2]" 1
591 1 10 ILE H 1 10 ILE HG12 3.810 . 4.190 3.439 3.292 3.592 . 0 0 "[ . 1 . 2]" 1
592 1 10 ILE H 1 33 LEU MD1 4.190 . 4.610 3.237 2.836 3.660 . 0 0 "[ . 1 . 2]" 1
593 1 22 ILE H 1 22 ILE HG13 4.620 . 5.080 4.535 4.446 4.618 . 0 0 "[ . 1 . 2]" 1
594 1 21 VAL H 1 21 VAL MG2 2.970 . 3.270 2.016 1.930 2.090 . 0 0 "[ . 1 . 2]" 1
595 1 11 ASN HB2 1 11 ASN HD22 3.930 . 4.320 3.487 3.472 3.503 . 0 0 "[ . 1 . 2]" 1
596 1 18 LYS H 1 20 GLY H 4.780 . 5.260 3.915 3.763 4.143 . 0 0 "[ . 1 . 2]" 1
597 1 23 THR H 1 26 GLU HB2 3.970 . 4.370 2.570 2.312 2.928 . 0 0 "[ . 1 . 2]" 1
598 1 23 THR H 1 26 GLU HG3 4.770 . 5.250 3.266 2.681 3.841 . 0 0 "[ . 1 . 2]" 1
599 1 22 ILE HG12 1 23 THR H 3.730 . 4.100 2.943 2.514 3.196 . 0 0 "[ . 1 . 2]" 1
600 1 22 ILE HG13 1 23 THR H 3.730 . 4.100 2.952 2.710 3.129 . 0 0 "[ . 1 . 2]" 1
601 1 22 ILE MG 1 23 THR H 4.300 . 4.730 3.926 3.686 4.083 . 0 0 "[ . 1 . 2]" 1
602 1 24 GLU H 1 27 LYS QD 5.090 . 5.600 4.005 3.574 4.864 . 0 0 "[ . 1 . 2]" 1
603 1 23 THR MG 1 24 GLU H 4.090 . 4.500 3.673 3.525 3.848 . 0 0 "[ . 1 . 2]" 1
604 1 23 THR HB 1 24 GLU H 2.990 . 3.290 2.371 2.165 2.647 . 0 0 "[ . 1 . 2]" 1
605 1 24 GLU H 1 25 GLU H 4.020 . 4.420 2.783 2.600 3.048 . 0 0 "[ . 1 . 2]" 1
606 1 25 GLU H 1 28 ALA MB 5.140 . 5.650 4.796 4.538 5.026 . 0 0 "[ . 1 . 2]" 1
607 1 23 THR MG 1 25 GLU H 4.740 . 5.210 4.429 4.231 4.940 . 0 0 "[ . 1 . 2]" 1
608 1 23 THR HA 1 25 GLU H 4.690 . 5.160 4.432 4.071 5.000 . 0 0 "[ . 1 . 2]" 1
609 1 25 GLU H 1 26 GLU H 3.600 . 3.960 2.763 2.662 2.917 . 0 0 "[ . 1 . 2]" 1
610 1 30 GLN H 1 31 GLN H 3.350 . 3.690 2.848 2.763 2.992 . 0 0 "[ . 1 . 2]" 1
611 1 26 GLU HA 1 30 GLN H 4.670 . 5.140 3.907 3.556 4.130 . 0 0 "[ . 1 . 2]" 1
612 1 13 LEU HB2 1 30 GLN H 5.500 . 6.050 5.187 4.759 5.954 . 0 0 "[ . 1 . 2]" 1
613 1 30 GLN H 1 33 LEU HB2 5.500 . 6.050 5.232 4.931 5.571 . 0 0 "[ . 1 . 2]" 1
614 1 28 ALA MB 1 30 GLN H 5.060 . 5.570 4.609 4.440 4.811 . 0 0 "[ . 1 . 2]" 1
615 1 30 GLN H 1 33 LEU MD1 5.060 . 5.570 4.365 3.738 5.176 . 0 0 "[ . 1 . 2]" 1
616 1 13 LEU MD1 1 30 GLN H 3.680 . 4.050 2.632 2.363 3.067 . 0 0 "[ . 1 . 2]" 1
617 1 13 LEU H 1 14 ALA MB 4.390 . 4.830 4.349 4.235 4.478 . 0 0 "[ . 1 . 2]" 1
618 1 12 GLU HB2 1 13 LEU H 4.030 . 4.430 3.755 3.644 3.859 . 0 0 "[ . 1 . 2]" 1
619 1 12 GLU HB3 1 13 LEU H 4.030 . 4.430 2.343 2.157 2.470 . 0 0 "[ . 1 . 2]" 1
620 1 12 GLU HG2 1 13 LEU H 4.630 . 5.090 3.724 3.090 4.529 . 0 0 "[ . 1 . 2]" 1
621 1 10 ILE HA 1 13 LEU H 4.460 . 4.910 3.568 3.366 3.744 . 0 0 "[ . 1 . 2]" 1
622 1 9 ARG HA 1 13 LEU H 4.880 . 5.370 3.969 3.725 4.092 . 0 0 "[ . 1 . 2]" 1
623 1 23 THR H 1 27 LYS H 4.850 . 5.330 4.439 4.216 4.646 . 0 0 "[ . 1 . 2]" 1
624 1 25 GLU H 1 27 LYS H 4.930 . 5.420 4.044 3.773 4.326 . 0 0 "[ . 1 . 2]" 1
625 1 27 LYS H 1 28 ALA H 3.460 . 3.810 2.741 2.627 2.855 . 0 0 "[ . 1 . 2]" 1
626 1 22 ILE MD 1 27 LYS H 4.140 . 4.550 3.282 3.133 3.398 . 0 0 "[ . 1 . 2]" 1
627 1 29 GLU HA 1 33 LEU H 4.830 . 5.310 4.046 3.804 4.355 . 0 0 "[ . 1 . 2]" 1
628 1 30 GLN HA 1 33 LEU H 4.370 . 4.810 3.530 3.250 3.802 . 0 0 "[ . 1 . 2]" 1
629 1 30 GLN HG3 1 33 LEU H 5.500 . 6.050 5.649 5.259 6.056 0.006 1 0 "[ . 1 . 2]" 1
630 1 36 GLU HG2 1 37 TYR H 5.440 . 5.980 4.452 4.182 5.082 . 0 0 "[ . 1 . 2]" 1
631 1 36 GLU HB2 1 37 TYR H 4.110 . 4.520 2.692 2.471 3.399 . 0 0 "[ . 1 . 2]" 1
632 1 37 TYR H 1 38 LEU HB2 4.570 . 5.030 4.835 4.628 4.954 . 0 0 "[ . 1 . 2]" 1
633 1 36 GLU HB3 1 37 TYR H 4.110 . 4.520 3.574 2.933 3.873 . 0 0 "[ . 1 . 2]" 1
634 1 2 ILE MD 1 37 TYR H 4.460 . 4.910 2.918 2.509 3.430 . 0 0 "[ . 1 . 2]" 1
635 1 10 ILE MD 1 37 TYR H 4.840 . 5.320 3.849 3.519 4.237 . 0 0 "[ . 1 . 2]" 1
636 1 2 ILE MG 1 37 TYR H 4.890 . 5.380 4.121 3.669 4.839 . 0 0 "[ . 1 . 2]" 1
637 1 9 ARG HA 1 12 GLU H 4.060 . 4.470 3.396 3.082 3.657 . 0 0 "[ . 1 . 2]" 1
638 1 11 ASN HB2 1 12 GLU H 3.730 . 4.100 2.647 2.376 2.904 . 0 0 "[ . 1 . 2]" 1
639 1 11 ASN HB3 1 12 GLU H 4.080 . 4.490 3.615 3.441 3.802 . 0 0 "[ . 1 . 2]" 1
640 1 12 GLU H 1 13 LEU HG 5.020 . 5.520 4.582 4.339 4.772 . 0 0 "[ . 1 . 2]" 1
641 1 12 GLU H 1 14 ALA MB 4.670 . 5.140 4.631 4.505 4.796 . 0 0 "[ . 1 . 2]" 1
642 1 10 ILE MG 1 12 GLU H 5.500 . 6.050 4.948 4.711 5.167 . 0 0 "[ . 1 . 2]" 1
643 1 12 GLU H 1 13 LEU MD1 5.500 . 6.050 5.549 5.286 5.719 . 0 0 "[ . 1 . 2]" 1
644 1 12 GLU H 1 13 LEU H 3.570 . 3.930 2.824 2.625 2.904 . 0 0 "[ . 1 . 2]" 1
645 1 17 ALA H 1 18 LYS H 3.520 . 3.870 2.722 2.539 2.842 . 0 0 "[ . 1 . 2]" 1
646 1 17 ALA H 1 20 GLY H 5.500 . 6.050 4.538 4.386 4.659 . 0 0 "[ . 1 . 2]" 1
647 1 17 ALA H 1 19 ALA H 4.720 . 5.190 3.998 3.807 4.240 . 0 0 "[ . 1 . 2]" 1
648 1 16 LYS HB2 1 17 ALA H 3.620 . 3.980 2.687 2.550 2.835 . 0 0 "[ . 1 . 2]" 1
649 1 16 LYS HG3 1 17 ALA H 4.770 . 5.250 4.377 4.160 4.537 . 0 0 "[ . 1 . 2]" 1
650 1 17 ALA H 1 22 ILE HB 4.040 . 4.440 3.264 3.073 3.631 . 0 0 "[ . 1 . 2]" 1
651 1 17 ALA H 1 22 ILE MD 3.800 . 4.180 3.288 3.016 3.640 . 0 0 "[ . 1 . 2]" 1
652 1 8 ALA MB 1 10 ILE H 5.190 . 5.710 4.588 4.448 4.745 . 0 0 "[ . 1 . 2]" 1
653 1 9 ARG HG3 1 10 ILE H 5.370 . 5.910 3.798 3.519 4.038 . 0 0 "[ . 1 . 2]" 1
654 1 9 ARG HB2 1 10 ILE H 4.230 . 4.650 3.901 3.778 4.009 . 0 0 "[ . 1 . 2]" 1
655 1 7 ILE HA 1 10 ILE H 3.630 . 3.990 3.345 3.173 3.607 . 0 0 "[ . 1 . 2]" 1
656 1 8 ALA HA 1 10 ILE H 4.740 . 5.210 4.441 4.319 4.569 . 0 0 "[ . 1 . 2]" 1
657 1 30 GLN HA 1 34 ARG H 4.780 . 5.260 4.068 3.902 4.217 . 0 0 "[ . 1 . 2]" 1
658 1 30 GLN HG3 1 34 ARG H 5.100 . 5.610 4.952 4.450 5.407 . 0 0 "[ . 1 . 2]" 1
659 1 33 LEU HB3 1 34 ARG H 4.210 . 4.630 3.733 3.494 3.955 . 0 0 "[ . 1 . 2]" 1
660 1 10 ILE HG12 1 34 ARG H 4.400 . 4.840 4.124 3.789 4.486 . 0 0 "[ . 1 . 2]" 1
661 1 10 ILE MG 1 34 ARG H 5.320 . 5.850 4.845 4.345 5.226 . 0 0 "[ . 1 . 2]" 1
662 1 10 ILE MD 1 34 ARG H 5.020 . 5.520 3.723 3.353 4.038 . 0 0 "[ . 1 . 2]" 1
663 1 34 ARG H 1 35 GLN H 3.520 . 3.870 2.688 2.630 2.770 . 0 0 "[ . 1 . 2]" 1
664 1 47 LEU HB3 1 48 GLU H 5.070 . 5.580 3.915 2.766 4.482 . 0 0 "[ . 1 . 2]" 1
665 1 47 LEU HB2 1 48 GLU H 5.070 . 5.580 3.806 2.123 4.616 . 0 0 "[ . 1 . 2]" 1
666 1 47 LEU HG 1 48 GLU H 5.500 . 6.050 4.223 2.582 5.393 . 0 0 "[ . 1 . 2]" 1
667 1 12 GLU H 1 14 ALA H 4.420 . 4.860 4.054 3.892 4.227 . 0 0 "[ . 1 . 2]" 1
668 1 11 ASN HA 1 14 ALA H 4.080 . 4.490 3.556 3.199 3.944 . 0 0 "[ . 1 . 2]" 1
669 1 10 ILE HA 1 14 ALA H 5.010 . 5.510 3.901 3.653 4.148 . 0 0 "[ . 1 . 2]" 1
670 1 13 LEU HB2 1 14 ALA H 3.870 . 4.260 2.771 2.493 3.056 . 0 0 "[ . 1 . 2]" 1
671 1 13 LEU HG 1 14 ALA H 4.710 . 5.180 4.379 4.217 4.514 . 0 0 "[ . 1 . 2]" 1
672 1 13 LEU HB3 1 14 ALA H 4.360 . 4.800 3.782 3.587 4.006 . 0 0 "[ . 1 . 2]" 1
673 1 10 ILE MG 1 14 ALA H 4.460 . 4.910 3.919 3.719 4.072 . 0 0 "[ . 1 . 2]" 1
674 1 37 TYR HB3 1 38 LEU H 3.650 . 4.020 2.724 2.398 2.921 . 0 0 "[ . 1 . 2]" 1
675 1 37 TYR HB2 1 38 LEU H 4.130 . 4.540 3.935 3.786 4.074 . 0 0 "[ . 1 . 2]" 1
676 1 37 TYR QD 1 38 LEU H 4.620 . 5.080 3.750 3.152 4.104 . 0 0 "[ . 1 . 2]" 1
677 1 11 ASN H 1 12 GLU H 3.390 . 3.730 2.765 2.641 2.914 . 0 0 "[ . 1 . 2]" 1
678 1 11 ASN H 1 13 LEU H 4.960 . 5.460 4.421 4.200 4.720 . 0 0 "[ . 1 . 2]" 1
679 1 8 ALA HA 1 11 ASN H 4.170 . 4.590 3.471 3.310 3.709 . 0 0 "[ . 1 . 2]" 1
680 1 10 ILE HB 1 11 ASN H 3.460 . 3.810 2.504 2.368 2.659 . 0 0 "[ . 1 . 2]" 1
681 1 10 ILE HG13 1 11 ASN H 4.540 . 4.990 4.307 4.180 4.433 . 0 0 "[ . 1 . 2]" 1
682 1 8 ALA MB 1 11 ASN H 5.160 . 5.680 4.671 4.520 4.874 . 0 0 "[ . 1 . 2]" 1
683 1 11 ASN H 1 14 ALA MB 5.460 . 6.010 4.453 4.209 4.615 . 0 0 "[ . 1 . 2]" 1
684 1 7 ILE MG 1 11 ASN H 4.360 . 4.800 4.030 3.769 4.298 . 0 0 "[ . 1 . 2]" 1
685 1 10 ILE MG 1 11 ASN H 3.850 . 4.230 3.211 2.922 3.348 . 0 0 "[ . 1 . 2]" 1
686 1 10 ILE MD 1 11 ASN H 4.980 . 5.480 4.538 4.405 4.695 . 0 0 "[ . 1 . 2]" 1
687 1 18 LYS H 1 21 VAL MG2 5.430 . 5.970 5.580 5.395 5.796 . 0 0 "[ . 1 . 2]" 1
688 1 18 LYS H 1 22 ILE MG 5.500 . 6.050 4.894 4.711 5.183 . 0 0 "[ . 1 . 2]" 1
689 1 15 ALA HA 1 18 LYS H 4.040 . 4.440 3.424 3.209 3.646 . 0 0 "[ . 1 . 2]" 1
690 1 2 ILE HB 1 3 SER H 4.350 . 4.790 4.156 3.971 4.320 . 0 0 "[ . 1 . 2]" 1
691 1 3 SER H 1 6 LYS HD2 4.660 . 5.130 2.289 1.760 3.117 0.040 7 0 "[ . 1 . 2]" 1
692 1 2 ILE HG13 1 3 SER H 4.810 . 5.290 2.800 1.959 3.279 . 0 0 "[ . 1 . 2]" 1
693 1 2 ILE HG12 1 3 SER H 4.990 . 5.490 3.031 2.268 3.849 . 0 0 "[ . 1 . 2]" 1
694 1 2 ILE MG 1 3 SER H 4.930 . 5.420 3.909 3.424 4.211 . 0 0 "[ . 1 . 2]" 1
695 1 4 ASN HA 1 8 ALA H 4.440 . 4.880 3.940 3.505 4.251 . 0 0 "[ . 1 . 2]" 1
696 1 41 PHE HB3 1 42 ARG H 5.100 . 5.610 3.466 2.255 4.474 . 0 0 "[ . 1 . 2]" 1
697 1 7 ILE HB 1 8 ALA H 3.440 . 3.780 2.477 2.250 2.599 . 0 0 "[ . 1 . 2]" 1
698 1 7 ILE HG13 1 8 ALA H 5.350 . 5.890 4.180 4.079 4.237 . 0 0 "[ . 1 . 2]" 1
699 1 7 ILE HG12 1 8 ALA H 5.190 . 5.710 4.927 4.838 4.987 . 0 0 "[ . 1 . 2]" 1
700 1 7 ILE MG 1 8 ALA H 3.850 . 4.230 3.336 3.105 3.428 . 0 0 "[ . 1 . 2]" 1
701 1 41 PHE HB2 1 42 ARG H 5.100 . 5.610 4.091 3.676 4.562 . 0 0 "[ . 1 . 2]" 1
702 1 16 LYS H 1 21 VAL MG2 4.450 . 4.890 4.375 4.144 4.585 . 0 0 "[ . 1 . 2]" 1
703 1 16 LYS H 1 22 ILE MD 4.710 . 5.180 4.581 4.233 5.011 . 0 0 "[ . 1 . 2]" 1
704 1 13 LEU HA 1 16 LYS H 3.870 . 4.260 3.249 3.096 3.376 . 0 0 "[ . 1 . 2]" 1
705 1 35 GLN HB2 1 36 GLU H 4.000 . 4.400 2.598 2.288 3.020 . 0 0 "[ . 1 . 2]" 1
706 1 33 LEU MD2 1 36 GLU H 5.020 . 5.520 4.753 4.384 5.102 . 0 0 "[ . 1 . 2]" 1
707 1 33 LEU HA 1 36 GLU H 3.950 . 4.350 3.284 2.970 3.582 . 0 0 "[ . 1 . 2]" 1
708 1 36 GLU H 1 37 TYR H 3.660 . 4.030 2.718 2.570 2.820 . 0 0 "[ . 1 . 2]" 1
709 1 27 LYS H 1 29 GLU H 4.930 . 5.420 4.151 3.956 4.425 . 0 0 "[ . 1 . 2]" 1
710 1 26 GLU HA 1 29 GLU H 3.840 . 4.220 3.331 3.036 3.724 . 0 0 "[ . 1 . 2]" 1
711 1 28 ALA MB 1 29 GLU H 3.370 . 3.710 2.484 2.353 2.592 . 0 0 "[ . 1 . 2]" 1
712 1 13 LEU MD1 1 29 GLU H 4.660 . 5.130 4.376 4.046 4.746 . 0 0 "[ . 1 . 2]" 1
713 1 7 ILE H 1 8 ALA MB 4.340 . 4.770 4.423 4.351 4.496 . 0 0 "[ . 1 . 2]" 1
714 1 6 LYS HB2 1 7 ILE H 4.480 . 4.930 2.661 2.518 2.962 . 0 0 "[ . 1 . 2]" 1
715 1 4 ASN HA 1 7 ILE H 4.310 . 4.740 3.268 3.005 3.678 . 0 0 "[ . 1 . 2]" 1
716 1 7 ILE H 1 8 ALA H 3.560 . 3.920 2.807 2.726 2.903 . 0 0 "[ . 1 . 2]" 1
717 1 31 GLN H 1 33 LEU H 4.980 . 5.480 4.307 3.991 4.527 . 0 0 "[ . 1 . 2]" 1
718 1 27 LYS HA 1 31 GLN H 4.830 . 5.310 4.097 3.751 4.414 . 0 0 "[ . 1 . 2]" 1
719 1 29 GLU HA 1 31 GLN H 5.410 . 5.950 4.531 4.196 4.772 . 0 0 "[ . 1 . 2]" 1
720 1 30 GLN HB3 1 31 GLN H 3.510 . 3.860 2.502 2.208 2.703 . 0 0 "[ . 1 . 2]" 1
721 1 30 GLN HB2 1 31 GLN H 4.030 . 4.430 3.847 3.642 3.996 . 0 0 "[ . 1 . 2]" 1
722 1 28 ALA MB 1 31 GLN H 5.180 . 5.700 4.708 4.498 4.976 . 0 0 "[ . 1 . 2]" 1
723 1 13 LEU MD1 1 31 GLN H 4.930 . 5.420 4.688 4.479 4.884 . 0 0 "[ . 1 . 2]" 1
724 1 33 LEU H 1 35 GLN H 5.090 . 5.600 4.196 4.000 4.416 . 0 0 "[ . 1 . 2]" 1
725 1 35 GLN H 1 37 TYR H 5.480 . 6.030 3.970 3.851 4.133 . 0 0 "[ . 1 . 2]" 1
726 1 35 GLN H 1 36 GLU H 3.710 . 4.080 2.718 2.614 2.849 . 0 0 "[ . 1 . 2]" 1
727 1 34 ARG HB2 1 35 GLN H 3.630 . 3.990 2.810 2.576 3.126 . 0 0 "[ . 1 . 2]" 1
728 1 34 ARG HG3 1 35 GLN H 4.940 . 5.430 4.535 4.349 4.767 . 0 0 "[ . 1 . 2]" 1
729 1 34 ARG HG2 1 35 GLN H 5.210 . 5.730 5.118 5.004 5.268 . 0 0 "[ . 1 . 2]" 1
730 1 35 GLN H 1 38 LEU MD1 5.060 . 5.570 4.496 4.233 4.858 . 0 0 "[ . 1 . 2]" 1
731 1 5 ALA MB 1 6 LYS H 3.620 . 3.980 2.505 2.366 2.642 . 0 0 "[ . 1 . 2]" 1
732 1 26 GLU H 1 28 ALA MB 4.850 . 5.330 4.873 4.675 5.131 . 0 0 "[ . 1 . 2]" 1
733 1 23 THR MG 1 26 GLU H 4.630 . 5.090 4.302 3.930 4.668 . 0 0 "[ . 1 . 2]" 1
734 1 22 ILE MD 1 26 GLU H 5.000 . 5.500 4.814 4.401 5.017 . 0 0 "[ . 1 . 2]" 1
735 1 24 GLU HA 1 26 GLU H 4.800 . 5.280 4.568 4.296 4.719 . 0 0 "[ . 1 . 2]" 1
736 1 26 GLU H 1 27 LYS H 3.510 . 3.860 2.689 2.582 2.798 . 0 0 "[ . 1 . 2]" 1
737 1 23 THR H 1 26 GLU H 4.330 . 4.760 3.826 3.659 3.987 . 0 0 "[ . 1 . 2]" 1
738 1 11 ASN HA 1 15 ALA H 4.810 . 5.290 4.089 3.712 4.422 . 0 0 "[ . 1 . 2]" 1
739 1 13 LEU HB2 1 15 ALA H 5.500 . 6.050 5.235 5.006 5.467 . 0 0 "[ . 1 . 2]" 1
740 1 15 ALA H 1 18 LYS HB2 5.500 . 6.050 5.387 4.984 5.972 . 0 0 "[ . 1 . 2]" 1
741 1 15 ALA H 1 16 LYS HG3 4.830 . 5.310 4.535 4.194 4.781 . 0 0 "[ . 1 . 2]" 1
742 1 15 ALA H 1 16 LYS H 3.320 . 3.650 2.738 2.660 2.822 . 0 0 "[ . 1 . 2]" 1
743 1 13 LEU H 1 15 ALA H 4.920 . 5.410 4.279 4.022 4.449 . 0 0 "[ . 1 . 2]" 1
744 1 15 ALA H 1 17 ALA H 4.670 . 5.140 4.049 3.876 4.174 . 0 0 "[ . 1 . 2]" 1
745 1 38 LEU MD1 1 39 LYS H 5.420 . 5.960 4.851 4.019 5.270 . 0 0 "[ . 1 . 2]" 1
746 1 38 LEU MD2 1 39 LYS H 5.500 . 6.050 4.710 4.467 4.793 . 0 0 "[ . 1 . 2]" 1
747 1 39 LYS H 1 39 LYS HG2 4.410 . 4.850 2.695 1.995 3.904 . 0 0 "[ . 1 . 2]" 1
748 1 9 ARG H 1 10 ILE H 3.710 . 4.080 2.756 2.640 2.896 . 0 0 "[ . 1 . 2]" 1
749 1 7 ILE HA 1 9 ARG H 5.040 . 5.540 4.410 4.251 4.590 . 0 0 "[ . 1 . 2]" 1
750 1 9 ARG H 1 33 LEU MD1 4.580 . 5.040 4.327 4.007 4.767 . 0 0 "[ . 1 . 2]" 1
751 1 16 LYS HA 1 20 GLY H 4.250 . 4.680 4.166 3.817 4.369 . 0 0 "[ . 1 . 2]" 1
752 1 17 ALA HA 1 20 GLY H 4.420 . 4.860 3.307 3.093 3.615 . 0 0 "[ . 1 . 2]" 1
753 1 18 LYS HB2 1 20 GLY H 5.500 . 6.050 5.100 4.743 5.689 . 0 0 "[ . 1 . 2]" 1
754 1 18 LYS HB3 1 20 GLY H 5.500 . 6.050 5.298 4.704 5.833 . 0 0 "[ . 1 . 2]" 1
755 1 19 ALA MB 1 20 GLY H 3.750 . 4.130 2.961 2.433 3.162 . 0 0 "[ . 1 . 2]" 1
756 1 20 GLY H 1 21 VAL MG1 4.760 . 5.240 4.199 3.672 4.413 . 0 0 "[ . 1 . 2]" 1
757 1 20 GLY H 1 21 VAL MG2 5.140 . 5.650 3.760 3.377 3.970 . 0 0 "[ . 1 . 2]" 1
758 1 20 GLY H 1 22 ILE MG 5.450 . 6.000 3.869 3.653 4.063 . 0 0 "[ . 1 . 2]" 1
759 1 20 GLY H 1 22 ILE H 4.970 . 5.470 3.880 3.550 4.094 . 0 0 "[ . 1 . 2]" 1
760 1 31 GLN HG2 1 32 LYS H 5.500 . 6.050 3.942 2.886 5.031 . 0 0 "[ . 1 . 2]" 1
761 1 31 GLN HG3 1 32 LYS H 5.500 . 6.050 4.455 3.542 4.841 . 0 0 "[ . 1 . 2]" 1
762 1 30 GLN HB3 1 32 LYS H 5.500 . 6.050 5.108 4.858 5.351 . 0 0 "[ . 1 . 2]" 1
763 1 29 GLU HA 1 32 LYS H 4.200 . 4.620 3.459 2.959 3.638 . 0 0 "[ . 1 . 2]" 1
764 1 32 LYS H 1 33 LEU H 3.500 . 3.850 2.861 2.721 3.039 . 0 0 "[ . 1 . 2]" 1
765 1 30 GLN H 1 32 LYS H 5.160 . 5.680 4.320 4.119 4.511 . 0 0 "[ . 1 . 2]" 1
766 1 19 ALA MB 1 21 VAL H 3.710 . 4.080 2.681 2.488 3.032 . 0 0 "[ . 1 . 2]" 1
767 1 21 VAL H 1 22 ILE HB 4.450 . 4.890 4.358 3.952 4.659 . 0 0 "[ . 1 . 2]" 1
768 1 19 ALA HA 1 21 VAL H 5.300 . 5.830 4.562 4.296 5.241 . 0 0 "[ . 1 . 2]" 1
769 1 21 VAL H 1 22 ILE HA 5.500 . 6.050 4.833 4.494 5.109 . 0 0 "[ . 1 . 2]" 1
770 1 16 LYS HA 1 21 VAL H 4.230 . 4.650 3.469 3.258 3.636 . 0 0 "[ . 1 . 2]" 1
771 1 17 ALA HA 1 21 VAL H 4.870 . 5.360 4.388 3.865 4.946 . 0 0 "[ . 1 . 2]" 1
772 1 21 VAL H 1 22 ILE H 3.200 . 3.520 2.573 2.089 2.991 . 0 0 "[ . 1 . 2]" 1
773 1 13 LEU HB2 1 30 GLN HE21 5.080 . 5.590 3.822 1.924 5.479 . 0 0 "[ . 1 . 2]" 1
774 1 17 ALA MB 1 30 GLN HE21 4.010 . 4.410 3.995 3.548 4.420 0.010 2 0 "[ . 1 . 2]" 1
775 1 13 LEU HB3 1 30 GLN HE21 5.120 . 5.630 3.783 2.100 5.508 . 0 0 "[ . 1 . 2]" 1
776 1 14 ALA HA 1 30 GLN HE21 4.230 . 4.650 3.991 2.522 4.770 0.120 4 0 "[ . 1 . 2]" 1
777 1 28 ALA H 1 30 GLN H 4.710 . 5.180 4.212 4.012 4.496 . 0 0 "[ . 1 . 2]" 1
778 1 25 GLU HA 1 28 ALA H 4.020 . 4.420 3.467 3.186 3.776 . 0 0 "[ . 1 . 2]" 1
779 1 28 ALA H 1 30 GLN HB3 5.500 . 6.050 5.126 4.710 5.418 . 0 0 "[ . 1 . 2]" 1
780 1 27 LYS HB2 1 28 ALA H 3.480 . 3.830 2.562 2.329 2.876 . 0 0 "[ . 1 . 2]" 1
781 1 27 LYS QD 1 28 ALA H 5.500 . 6.050 4.728 4.450 5.094 . 0 0 "[ . 1 . 2]" 1
782 1 7 ILE MG 1 11 ASN HD21 3.900 . 4.290 3.111 2.425 3.949 . 0 0 "[ . 1 . 2]" 1
783 1 8 ALA HA 1 11 ASN HD21 4.720 . 5.190 2.446 1.916 3.060 . 0 0 "[ . 1 . 2]" 1
784 1 7 ILE MG 1 11 ASN HD22 3.900 . 4.290 2.451 1.979 2.889 . 0 0 "[ . 1 . 2]" 1
785 1 8 ALA HA 1 11 ASN HD22 4.720 . 5.190 3.676 3.133 4.560 . 0 0 "[ . 1 . 2]" 1
786 1 21 VAL HB 1 22 ILE H 4.850 . 5.330 4.397 4.274 4.490 . 0 0 "[ . 1 . 2]" 1
787 1 16 LYS HB2 1 22 ILE H 4.900 . 5.390 4.573 4.016 5.067 . 0 0 "[ . 1 . 2]" 1
788 1 17 ALA MB 1 22 ILE H 5.500 . 6.050 4.933 4.620 5.407 . 0 0 "[ . 1 . 2]" 1
789 1 19 ALA MB 1 22 ILE H 5.350 . 5.890 4.735 4.379 5.072 . 0 0 "[ . 1 . 2]" 1
790 1 16 LYS HA 1 22 ILE H 4.350 . 4.790 4.477 4.121 4.817 0.027 13 0 "[ . 1 . 2]" 1
791 1 23 THR HB 1 25 GLU H 3.300 . 3.630 2.944 2.653 3.644 0.014 4 0 "[ . 1 . 2]" 1
792 1 29 GLU HB2 1 30 GLN H 4.030 . 4.430 3.838 3.678 4.001 . 0 0 "[ . 1 . 2]" 1
793 1 15 ALA HA 1 19 ALA H 5.130 . 5.640 4.115 3.938 4.306 . 0 0 "[ . 1 . 2]" 1
794 1 19 ALA H 1 20 GLY HA2 5.500 . 6.050 4.772 4.632 4.888 . 0 0 "[ . 1 . 2]" 1
795 1 19 ALA H 1 21 VAL MG2 4.420 . 4.860 4.002 3.792 4.380 . 0 0 "[ . 1 . 2]" 1
796 1 14 ALA HA 1 30 GLN HE22 4.230 . 4.650 2.899 2.125 3.642 . 0 0 "[ . 1 . 2]" 1
797 1 17 ALA MB 1 30 GLN HE22 4.010 . 4.410 2.696 2.215 3.073 . 0 0 "[ . 1 . 2]" 1
798 1 13 LEU HB3 1 30 GLN HE22 5.120 . 5.630 3.941 3.030 5.027 . 0 0 "[ . 1 . 2]" 1
799 1 13 LEU HB2 1 30 GLN HE22 5.080 . 5.590 4.278 3.312 5.340 . 0 0 "[ . 1 . 2]" 1
800 1 22 ILE MD 1 23 THR H 4.210 . 4.630 4.299 4.019 4.483 . 0 0 "[ . 1 . 2]" 1
801 1 11 ASN HA 1 13 LEU H 5.400 . 5.940 4.735 4.445 5.073 . 0 0 "[ . 1 . 2]" 1
802 1 31 GLN HA 1 34 ARG H 3.920 . 4.310 3.524 3.385 3.780 . 0 0 "[ . 1 . 2]" 1
803 1 2 ILE HB 1 36 GLU H 5.500 . 6.050 5.102 4.766 5.582 . 0 0 "[ . 1 . 2]" 1
804 1 31 GLN H 1 34 ARG HB2 5.500 . 6.050 5.077 4.703 5.321 . 0 0 "[ . 1 . 2]" 1
805 1 36 GLU HA 1 39 LYS H 4.180 . 4.600 3.618 3.152 4.492 . 0 0 "[ . 1 . 2]" 1
806 1 6 LYS HA 1 9 ARG H 3.800 . 4.180 3.321 3.003 3.580 . 0 0 "[ . 1 . 2]" 1
807 1 16 LYS HA 1 19 ALA H 3.880 . 4.270 3.456 3.298 3.690 . 0 0 "[ . 1 . 2]" 1
808 1 15 ALA HA 1 17 ALA H 5.020 . 5.520 4.321 4.195 4.532 . 0 0 "[ . 1 . 2]" 1
809 1 9 ARG HB2 1 9 ARG HE 5.230 . 5.750 4.299 2.400 4.794 . 0 0 "[ . 1 . 2]" 1
810 1 9 ARG HB3 1 9 ARG HE 5.230 . 5.750 4.646 3.671 5.197 . 0 0 "[ . 1 . 2]" 1
811 1 9 ARG HE 1 9 ARG HG2 3.790 . 4.170 2.657 2.262 3.556 . 0 0 "[ . 1 . 2]" 1
812 1 9 ARG HE 1 9 ARG HG3 4.060 . 4.470 2.798 2.491 3.585 . 0 0 "[ . 1 . 2]" 1
813 1 9 ARG HE 1 33 LEU MD1 4.800 . 5.280 3.846 3.255 4.939 . 0 0 "[ . 1 . 2]" 1
814 1 9 ARG HE 1 13 LEU MD1 4.900 . 5.390 2.826 2.172 4.595 . 0 0 "[ . 1 . 2]" 1
815 1 9 ARG HE 1 13 LEU MD2 5.500 . 6.050 3.006 1.786 5.235 0.014 19 0 "[ . 1 . 2]" 1
816 1 22 ILE HG12 1 27 LYS H 4.190 . 4.610 2.947 2.774 3.171 . 0 0 "[ . 1 . 2]" 1
817 1 22 ILE HG13 1 27 LYS H 4.190 . 4.610 4.048 3.800 4.386 . 0 0 "[ . 1 . 2]" 1
818 1 23 THR H 1 26 GLU HA 5.500 . 6.050 5.405 5.167 5.692 . 0 0 "[ . 1 . 2]" 1
819 1 27 LYS H 1 30 GLN H 5.190 . 5.710 4.639 4.492 4.730 . 0 0 "[ . 1 . 2]" 1
820 1 32 LYS H 1 34 ARG H 5.130 . 5.640 4.173 3.963 4.352 . 0 0 "[ . 1 . 2]" 1
821 1 23 THR H 1 26 GLU HG2 4.770 . 5.250 4.143 3.056 5.093 . 0 0 "[ . 1 . 2]" 1
822 1 34 ARG H 1 36 GLU H 5.120 . 5.630 4.164 3.956 4.526 . 0 0 "[ . 1 . 2]" 1
823 1 23 THR H 1 26 GLU HB3 3.970 . 4.370 3.978 3.707 4.379 0.009 8 0 "[ . 1 . 2]" 1
824 1 2 ILE HA 1 6 LYS QE 5.340 . 5.870 4.039 3.293 5.077 . 0 0 "[ . 1 . 2]" 1
825 1 2 ILE MG 1 6 LYS QB 4.780 . 5.260 4.257 4.054 4.634 . 0 0 "[ . 1 . 2]" 1
826 1 2 ILE MG 1 36 GLU QB 4.360 . 4.800 3.602 2.825 4.268 . 0 0 "[ . 1 . 2]" 1
827 1 2 ILE HG12 1 6 LYS QB 4.380 . 4.820 2.687 2.168 4.154 . 0 0 "[ . 1 . 2]" 1
828 1 2 ILE HG12 1 36 GLU QB 5.340 . 5.870 4.356 3.768 4.828 . 0 0 "[ . 1 . 2]" 1
829 1 2 ILE HG13 1 6 LYS QB 4.410 . 4.850 2.096 1.749 3.024 0.051 8 0 "[ . 1 . 2]" 1
830 1 2 ILE HG13 1 36 GLU QG 5.270 . 5.800 4.619 3.547 5.897 0.097 18 0 "[ . 1 . 2]" 1
831 1 2 ILE MD 1 6 LYS QB 3.490 . 3.840 2.551 1.950 2.785 . 0 0 "[ . 1 . 2]" 1
832 1 2 ILE MD 1 6 LYS QG 4.050 . 4.460 4.327 3.503 4.585 0.125 7 0 "[ . 1 . 2]" 1
833 1 2 ILE MD 1 36 GLU QB 4.100 . 4.510 2.743 2.021 3.353 . 0 0 "[ . 1 . 2]" 1
834 1 2 ILE MD 1 36 GLU QG 4.570 . 5.030 4.284 3.499 4.919 . 0 0 "[ . 1 . 2]" 1
835 1 3 SER QB 1 5 ALA MB 4.400 . 4.840 3.281 2.747 3.732 . 0 0 "[ . 1 . 2]" 1
836 1 3 SER QB 1 6 LYS QG 5.090 . 5.600 3.313 2.017 4.166 . 0 0 "[ . 1 . 2]" 1
837 1 6 LYS H 1 6 LYS QB 3.230 . 3.550 2.406 2.277 2.498 . 0 0 "[ . 1 . 2]" 1
838 1 6 LYS H 1 6 LYS QG 3.420 . 3.760 2.360 2.167 2.701 . 0 0 "[ . 1 . 2]" 1
839 1 6 LYS HA 1 6 LYS QG 2.990 . 3.290 2.408 2.333 2.490 . 0 0 "[ . 1 . 2]" 1
840 1 6 LYS QB 1 6 LYS HD2 3.600 . 3.960 2.441 2.378 2.519 . 0 0 "[ . 1 . 2]" 1
841 1 6 LYS QB 1 6 LYS HD3 2.730 . 3.000 2.375 2.323 2.448 . 0 0 "[ . 1 . 2]" 1
842 1 6 LYS QB 1 7 ILE H 3.670 . 4.040 2.593 2.465 2.841 . 0 0 "[ . 1 . 2]" 1
843 1 6 LYS QB 1 33 LEU MD2 3.620 . 3.980 2.167 1.841 2.568 . 0 0 "[ . 1 . 2]" 1
844 1 6 LYS QE 1 6 LYS QG 3.100 . 3.410 2.229 2.134 2.400 . 0 0 "[ . 1 . 2]" 1
845 1 6 LYS QG 1 33 LEU MD2 3.620 . 3.980 2.460 1.999 2.848 . 0 0 "[ . 1 . 2]" 1
846 1 6 LYS HD3 1 36 GLU QB 4.210 . 4.630 3.357 2.741 4.405 . 0 0 "[ . 1 . 2]" 1
847 1 6 LYS HD3 1 36 GLU QG 4.590 . 5.050 3.108 2.438 4.383 . 0 0 "[ . 1 . 2]" 1
848 1 6 LYS QE 1 33 LEU MD2 3.600 . 3.960 3.090 2.403 3.972 0.012 14 0 "[ . 1 . 2]" 1
849 1 6 LYS QE 1 36 GLU QG 3.860 . 4.250 3.760 2.022 4.395 0.145 9 0 "[ . 1 . 2]" 1
850 1 7 ILE HB 1 11 ASN QD 5.240 . 5.760 4.365 4.000 4.796 . 0 0 "[ . 1 . 2]" 1
851 1 7 ILE MG 1 11 ASN QD 3.400 . 3.740 2.343 1.950 2.821 . 0 0 "[ . 1 . 2]" 1
852 1 8 ALA HA 1 11 ASN QD 4.040 . 4.440 2.410 1.904 3.015 . 0 0 "[ . 1 . 2]" 1
853 1 8 ALA MB 1 11 ASN QD 5.100 . 5.610 3.786 3.297 4.417 . 0 0 "[ . 1 . 2]" 1
854 1 9 ARG H 1 9 ARG QD 4.610 . 5.070 4.194 4.060 4.391 . 0 0 "[ . 1 . 2]" 1
855 1 9 ARG HA 1 9 ARG QD 3.310 . 3.640 2.136 1.898 2.425 . 0 0 "[ . 1 . 2]" 1
856 1 9 ARG HA 1 12 GLU QB 3.530 . 3.880 2.485 2.097 2.857 . 0 0 "[ . 1 . 2]" 1
857 1 9 ARG QB 1 9 ARG HG2 2.420 . 2.660 2.166 2.155 2.172 . 0 0 "[ . 1 . 2]" 1
858 1 9 ARG QB 1 9 ARG QD 3.270 . 3.600 2.358 2.247 2.697 . 0 0 "[ . 1 . 2]" 1
859 1 9 ARG QB 1 9 ARG HE 4.470 . 4.920 3.948 2.370 4.426 . 0 0 "[ . 1 . 2]" 1
860 1 9 ARG QB 1 10 ILE H 3.620 . 3.980 2.575 2.372 2.776 . 0 0 "[ . 1 . 2]" 1
861 1 9 ARG QB 1 11 ASN H 5.030 . 5.530 4.910 4.772 5.149 . 0 0 "[ . 1 . 2]" 1
862 1 9 ARG QB 1 13 LEU MD1 5.340 . 5.870 4.038 3.834 4.344 . 0 0 "[ . 1 . 2]" 1
863 1 9 ARG QB 1 33 LEU MD1 3.700 . 4.070 2.315 2.058 2.754 . 0 0 "[ . 1 . 2]" 1
864 1 9 ARG QD 1 12 GLU QB 3.870 . 4.260 2.795 2.071 3.294 . 0 0 "[ . 1 . 2]" 1
865 1 9 ARG QD 1 13 LEU H 5.080 . 5.590 3.982 3.784 4.220 . 0 0 "[ . 1 . 2]" 1
866 1 9 ARG QD 1 13 LEU HG 4.290 . 4.720 2.943 2.441 3.446 . 0 0 "[ . 1 . 2]" 1
867 1 9 ARG QD 1 33 LEU MD1 5.200 . 5.720 3.872 3.539 4.153 . 0 0 "[ . 1 . 2]" 1
868 1 9 ARG HE 1 29 GLU QB 5.340 . 5.870 4.584 3.860 5.880 0.010 16 0 "[ . 1 . 2]" 1
869 1 10 ILE MG 1 30 GLN QE 5.020 . 5.520 4.107 2.747 5.528 0.008 14 0 "[ . 1 . 2]" 1
870 1 11 ASN H 1 11 ASN QD 4.940 . 5.430 2.999 2.107 3.486 . 0 0 "[ . 1 . 2]" 1
871 1 12 GLU QB 1 13 LEU H 3.390 . 3.730 2.320 2.142 2.440 . 0 0 "[ . 1 . 2]" 1
872 1 12 GLU QB 1 13 LEU HG 4.790 . 5.270 3.153 2.949 3.387 . 0 0 "[ . 1 . 2]" 1
873 1 12 GLU QB 1 13 LEU MD2 5.340 . 5.870 3.614 3.262 3.959 . 0 0 "[ . 1 . 2]" 1
874 1 12 GLU HG2 1 16 LYS QD 4.770 . 5.250 3.417 1.933 5.123 . 0 0 "[ . 1 . 2]" 1
875 1 12 GLU HG3 1 16 LYS QD 4.510 . 4.960 3.871 1.857 4.954 . 0 0 "[ . 1 . 2]" 1
876 1 12 GLU HG3 1 16 LYS QE 3.940 . 4.330 2.912 1.799 4.292 0.001 10 0 "[ . 1 . 2]" 1
877 1 13 LEU HA 1 16 LYS QD 3.760 . 4.140 2.337 1.968 2.716 . 0 0 "[ . 1 . 2]" 1
878 1 13 LEU HA 1 16 LYS QE 5.080 . 5.590 3.917 2.881 4.583 . 0 0 "[ . 1 . 2]" 1
879 1 13 LEU HB2 1 30 GLN QE 4.370 . 4.810 3.466 1.911 4.800 . 0 0 "[ . 1 . 2]" 1
880 1 13 LEU HB3 1 30 GLN QE 4.400 . 4.840 3.381 2.073 4.617 . 0 0 "[ . 1 . 2]" 1
881 1 13 LEU MD1 1 29 GLU QB 3.730 . 4.100 2.730 2.343 3.217 . 0 0 "[ . 1 . 2]" 1
882 1 13 LEU MD2 1 16 LYS QD 3.510 . 3.860 1.993 1.795 2.273 0.005 9 0 "[ . 1 . 2]" 1
883 1 13 LEU MD2 1 16 LYS QE 3.970 . 4.370 3.056 2.128 3.606 . 0 0 "[ . 1 . 2]" 1
884 1 13 LEU MD2 1 26 GLU QB 3.260 . 3.590 1.827 1.761 2.041 0.039 1 0 "[ . 1 . 2]" 1
885 1 14 ALA H 1 30 GLN QE 5.040 . 5.540 3.980 2.827 5.099 . 0 0 "[ . 1 . 2]" 1
886 1 14 ALA HA 1 30 GLN QE 3.700 . 4.070 2.818 2.042 3.530 . 0 0 "[ . 1 . 2]" 1
887 1 16 LYS H 1 16 LYS QD 5.000 . 5.500 3.792 3.549 4.044 . 0 0 "[ . 1 . 2]" 1
888 1 16 LYS HA 1 16 LYS QD 4.350 . 4.790 4.047 3.914 4.261 . 0 0 "[ . 1 . 2]" 1
889 1 16 LYS HB2 1 16 LYS QD 3.130 . 3.440 2.396 2.324 2.490 . 0 0 "[ . 1 . 2]" 1
890 1 16 LYS HB2 1 16 LYS QE 4.680 . 5.150 3.998 3.863 4.068 . 0 0 "[ . 1 . 2]" 1
891 1 16 LYS HB3 1 16 LYS QD 3.010 . 3.310 2.442 2.263 2.804 . 0 0 "[ . 1 . 2]" 1
892 1 16 LYS QD 1 21 VAL MG2 3.740 . 4.110 3.328 2.725 4.056 . 0 0 "[ . 1 . 2]" 1
893 1 16 LYS QD 1 22 ILE HB 4.160 . 4.580 3.578 3.191 4.161 . 0 0 "[ . 1 . 2]" 1
894 1 16 LYS QE 1 21 VAL MG2 3.930 . 4.320 3.871 2.833 4.370 0.050 18 0 "[ . 1 . 2]" 1
895 1 17 ALA MB 1 30 GLN QE 3.440 . 3.780 2.655 2.195 3.019 . 0 0 "[ . 1 . 2]" 1
896 1 18 LYS H 1 18 LYS QG 4.310 . 4.740 2.737 2.107 3.990 . 0 0 "[ . 1 . 2]" 1
897 1 18 LYS HA 1 18 LYS QG 3.530 . 3.880 2.434 2.318 2.507 . 0 0 "[ . 1 . 2]" 1
898 1 18 LYS QE 1 18 LYS QG 3.320 . 3.650 2.529 2.313 2.800 . 0 0 "[ . 1 . 2]" 1
899 1 22 ILE H 1 22 ILE QG 4.050 . 4.460 4.021 3.989 4.069 . 0 0 "[ . 1 . 2]" 1
900 1 22 ILE HA 1 22 ILE QG 3.060 . 3.370 2.359 2.310 2.416 . 0 0 "[ . 1 . 2]" 1
901 1 22 ILE HA 1 26 GLU QB 4.040 . 4.440 3.505 3.115 3.921 . 0 0 "[ . 1 . 2]" 1
902 1 22 ILE HB 1 26 GLU QB 5.210 . 5.730 4.206 3.977 4.408 . 0 0 "[ . 1 . 2]" 1
903 1 22 ILE QG 1 22 ILE MG 3.080 . 3.390 2.337 2.320 2.357 . 0 0 "[ . 1 . 2]" 1
904 1 22 ILE MG 1 27 LYS QG 3.300 . 3.630 2.388 2.190 2.735 . 0 0 "[ . 1 . 2]" 1
905 1 22 ILE QG 1 23 THR H 3.210 . 3.530 2.624 2.332 2.817 . 0 0 "[ . 1 . 2]" 1
906 1 22 ILE QG 1 26 GLU QB 3.120 . 3.430 1.930 1.866 2.057 . 0 0 "[ . 1 . 2]" 1
907 1 22 ILE QG 1 27 LYS H 3.520 . 3.870 2.879 2.711 3.101 . 0 0 "[ . 1 . 2]" 1
908 1 22 ILE QG 1 27 LYS QG 3.960 . 4.360 2.066 1.832 2.357 . 0 0 "[ . 1 . 2]" 1
909 1 22 ILE MD 1 26 GLU QB 3.990 . 4.390 2.633 2.302 2.923 . 0 0 "[ . 1 . 2]" 1
910 1 22 ILE MD 1 27 LYS QG 3.570 . 3.930 2.142 1.890 2.373 . 0 0 "[ . 1 . 2]" 1
911 1 22 ILE MD 1 30 GLN QE 3.950 . 4.350 3.042 2.208 4.369 0.019 2 0 "[ . 1 . 2]" 1
912 1 23 THR H 1 26 GLU QB 3.250 . 3.580 2.540 2.291 2.887 . 0 0 "[ . 1 . 2]" 1
913 1 23 THR H 1 26 GLU QG 4.140 . 4.550 3.130 2.532 3.711 . 0 0 "[ . 1 . 2]" 1
914 1 23 THR MG 1 26 GLU QB 5.340 . 5.870 4.128 3.631 4.620 . 0 0 "[ . 1 . 2]" 1
915 1 23 THR MG 1 26 GLU QG 4.710 . 5.180 3.561 3.095 4.028 . 0 0 "[ . 1 . 2]" 1
916 1 24 GLU H 1 24 GLU QG 3.440 . 3.780 2.022 1.889 2.423 . 0 0 "[ . 1 . 2]" 1
917 1 24 GLU HA 1 24 GLU QG 3.320 . 3.650 2.661 2.351 3.060 . 0 0 "[ . 1 . 2]" 1
918 1 24 GLU HA 1 27 LYS QE 5.340 . 5.870 3.777 3.195 4.690 . 0 0 "[ . 1 . 2]" 1
919 1 24 GLU QG 1 25 GLU H 4.830 . 5.310 3.979 3.844 4.185 . 0 0 "[ . 1 . 2]" 1
920 1 25 GLU H 1 25 GLU QG 4.350 . 4.790 3.944 3.156 4.045 . 0 0 "[ . 1 . 2]" 1
921 1 25 GLU HA 1 25 GLU QG 3.320 . 3.650 2.563 2.369 3.072 . 0 0 "[ . 1 . 2]" 1
922 1 25 GLU QB 1 26 GLU H 3.830 . 4.210 2.483 2.339 2.617 . 0 0 "[ . 1 . 2]" 1
923 1 25 GLU QG 1 28 ALA H 5.340 . 5.870 4.981 4.553 5.603 . 0 0 "[ . 1 . 2]" 1
924 1 25 GLU QG 1 28 ALA MB 4.550 . 5.010 3.810 3.307 4.462 . 0 0 "[ . 1 . 2]" 1
925 1 26 GLU H 1 26 GLU QB 3.210 . 3.530 2.452 2.384 2.526 . 0 0 "[ . 1 . 2]" 1
926 1 26 GLU H 1 26 GLU QG 3.170 . 3.490 2.234 2.053 2.560 . 0 0 "[ . 1 . 2]" 1
927 1 26 GLU HA 1 26 GLU QG 3.180 . 3.500 2.594 2.321 3.043 . 0 0 "[ . 1 . 2]" 1
928 1 26 GLU HA 1 29 GLU QB 3.600 . 3.960 2.473 2.068 3.015 . 0 0 "[ . 1 . 2]" 1
929 1 26 GLU QB 1 27 LYS H 3.800 . 4.180 2.655 2.438 2.829 . 0 0 "[ . 1 . 2]" 1
930 1 26 GLU QG 1 27 LYS H 4.630 . 5.090 4.122 3.912 4.250 . 0 0 "[ . 1 . 2]" 1
931 1 27 LYS HA 1 27 LYS QG 3.050 . 3.360 2.437 2.364 2.499 . 0 0 "[ . 1 . 2]" 1
932 1 27 LYS HA 1 27 LYS QE 4.370 . 4.810 4.123 3.481 4.876 0.066 20 0 "[ . 1 . 2]" 1
933 1 27 LYS HB3 1 27 LYS QE 4.420 . 4.860 2.405 1.872 4.231 . 0 0 "[ . 1 . 2]" 1
934 1 27 LYS QE 1 27 LYS QG 3.290 . 3.620 2.337 2.143 2.418 . 0 0 "[ . 1 . 2]" 1
935 1 27 LYS QG 1 28 ALA H 5.340 . 5.870 4.100 3.962 4.212 . 0 0 "[ . 1 . 2]" 1
936 1 27 LYS QG 1 30 GLN HB2 5.330 . 5.860 5.052 4.620 5.502 . 0 0 "[ . 1 . 2]" 1
937 1 28 ALA H 1 29 GLU QB 5.050 . 5.560 4.447 4.295 4.606 . 0 0 "[ . 1 . 2]" 1
938 1 28 ALA HA 1 31 GLN QB 3.780 . 4.160 2.790 2.229 3.293 . 0 0 "[ . 1 . 2]" 1
939 1 28 ALA MB 1 29 GLU QB 4.500 . 4.950 3.832 3.694 3.932 . 0 0 "[ . 1 . 2]" 1
940 1 29 GLU H 1 29 GLU QB 2.910 . 3.200 2.248 2.219 2.300 . 0 0 "[ . 1 . 2]" 1
941 1 29 GLU HA 1 29 GLU QG 3.230 . 3.550 2.726 2.386 3.051 . 0 0 "[ . 1 . 2]" 1
942 1 29 GLU HA 1 32 LYS QB 4.100 . 4.510 2.530 2.019 2.905 . 0 0 "[ . 1 . 2]" 1
943 1 29 GLU QB 1 30 GLN H 3.390 . 3.730 2.477 2.337 2.705 . 0 0 "[ . 1 . 2]" 1
944 1 29 GLU QB 1 33 LEU MD1 4.640 . 5.100 4.013 3.732 4.496 . 0 0 "[ . 1 . 2]" 1
945 1 29 GLU QG 1 30 GLN H 4.690 . 5.160 3.526 3.129 3.777 . 0 0 "[ . 1 . 2]" 1
946 1 29 GLU QG 1 32 LYS H 5.340 . 5.870 5.037 4.477 5.452 . 0 0 "[ . 1 . 2]" 1
947 1 29 GLU QG 1 33 LEU H 5.020 . 5.520 4.063 3.783 4.559 . 0 0 "[ . 1 . 2]" 1
948 1 29 GLU QG 1 33 LEU HG 4.140 . 4.550 2.625 2.286 3.080 . 0 0 "[ . 1 . 2]" 1
949 1 30 GLN HG2 1 34 ARG QD 4.520 . 4.970 2.527 1.828 3.070 . 0 0 "[ . 1 . 2]" 1
950 1 30 GLN HG3 1 34 ARG QD 4.360 . 4.800 3.523 3.123 4.014 . 0 0 "[ . 1 . 2]" 1
951 1 31 GLN H 1 31 GLN QB 2.880 . 3.170 2.312 2.204 2.555 . 0 0 "[ . 1 . 2]" 1
952 1 31 GLN H 1 31 GLN QG 4.140 . 4.550 3.430 2.037 4.061 . 0 0 "[ . 1 . 2]" 1
953 1 31 GLN H 1 32 LYS QB 5.340 . 5.870 4.461 4.255 4.884 . 0 0 "[ . 1 . 2]" 1
954 1 31 GLN HA 1 31 GLN QG 3.540 . 3.890 2.539 2.398 3.020 . 0 0 "[ . 1 . 2]" 1
955 1 31 GLN HA 1 31 GLN QE 5.340 . 5.870 4.605 3.640 4.992 . 0 0 "[ . 1 . 2]" 1
956 1 31 GLN QB 1 32 LYS H 3.250 . 3.580 2.391 2.250 2.528 . 0 0 "[ . 1 . 2]" 1
957 1 31 GLN QB 1 33 LEU H 5.340 . 5.870 4.791 4.545 4.983 . 0 0 "[ . 1 . 2]" 1
958 1 31 GLN QG 1 32 LYS H 4.750 . 5.220 3.582 2.836 4.126 . 0 0 "[ . 1 . 2]" 1
959 1 32 LYS H 1 32 LYS QB 2.800 . 3.080 2.229 2.156 2.510 . 0 0 "[ . 1 . 2]" 1
960 1 32 LYS HA 1 32 LYS QG 3.480 . 3.830 2.539 2.364 2.700 . 0 0 "[ . 1 . 2]" 1
961 1 32 LYS QB 1 32 LYS QE 4.000 . 4.400 3.091 1.902 3.770 . 0 0 "[ . 1 . 2]" 1
962 1 32 LYS QB 1 33 LEU H 3.280 . 3.610 2.440 2.209 2.772 . 0 0 "[ . 1 . 2]" 1
963 1 32 LYS QE 1 32 LYS QG 3.330 . 3.660 2.399 2.137 2.850 . 0 0 "[ . 1 . 2]" 1
964 1 33 LEU HA 1 36 GLU QB 4.020 . 4.420 2.540 2.166 2.968 . 0 0 "[ . 1 . 2]" 1
965 1 33 LEU HA 1 36 GLU QG 3.610 . 3.970 2.765 2.196 4.010 0.040 2 0 "[ . 1 . 2]" 1
966 1 33 LEU HB3 1 36 GLU QB 5.340 . 5.870 3.962 3.477 4.345 . 0 0 "[ . 1 . 2]" 1
967 1 33 LEU MD2 1 36 GLU QB 4.420 . 4.860 3.510 3.117 4.005 . 0 0 "[ . 1 . 2]" 1
968 1 33 LEU MD2 1 36 GLU QG 4.310 . 4.740 3.056 2.360 3.915 . 0 0 "[ . 1 . 2]" 1
969 1 34 ARG H 1 34 ARG QD 4.560 . 5.020 3.945 3.607 4.360 . 0 0 "[ . 1 . 2]" 1
970 1 34 ARG HA 1 34 ARG QD 3.930 . 4.320 4.143 3.956 4.248 . 0 0 "[ . 1 . 2]" 1
971 1 34 ARG HB2 1 35 GLN QE 5.340 . 5.870 3.887 2.577 5.787 . 0 0 "[ . 1 . 2]" 1
972 1 34 ARG HB3 1 35 GLN QE 5.340 . 5.870 4.444 2.998 5.913 0.043 3 0 "[ . 1 . 2]" 1
973 1 35 GLN H 1 35 GLN QB 3.100 . 3.410 2.425 2.205 2.530 . 0 0 "[ . 1 . 2]" 1
974 1 35 GLN H 1 35 GLN QG 3.530 . 3.880 2.559 2.139 3.608 . 0 0 "[ . 1 . 2]" 1
975 1 35 GLN HA 1 35 GLN QG 3.510 . 3.860 2.777 2.337 3.091 . 0 0 "[ . 1 . 2]" 1
976 1 35 GLN HA 1 35 GLN QE 5.340 . 5.870 3.245 2.230 4.714 . 0 0 "[ . 1 . 2]" 1
977 1 35 GLN QB 1 36 GLU H 3.500 . 3.850 2.529 2.252 2.840 . 0 0 "[ . 1 . 2]" 1
978 1 35 GLN QG 1 38 LEU MD1 4.750 . 5.220 3.923 2.906 4.821 . 0 0 "[ . 1 . 2]" 1
979 1 36 GLU H 1 36 GLU QB 3.380 . 3.720 2.414 2.026 2.585 . 0 0 "[ . 1 . 2]" 1
980 1 36 GLU H 1 36 GLU QG 3.540 . 3.890 2.324 2.005 3.529 . 0 0 "[ . 1 . 2]" 1
981 1 36 GLU HA 1 39 LYS QG 3.540 . 3.890 2.403 1.854 3.444 . 0 0 "[ . 1 . 2]" 1
982 1 36 GLU HA 1 39 LYS QE 3.950 . 4.350 3.464 1.757 4.429 0.079 11 0 "[ . 1 . 2]" 1
983 1 36 GLU QB 1 36 GLU QG 2.180 . 2.400 2.011 1.991 2.086 . 0 0 "[ . 1 . 2]" 1
984 1 36 GLU QG 1 37 TYR H 4.770 . 5.250 4.121 3.917 4.601 . 0 0 "[ . 1 . 2]" 1
985 1 36 GLU QG 1 39 LYS QG 5.140 . 5.650 4.489 3.747 5.595 . 0 0 "[ . 1 . 2]" 1
986 1 38 LEU HA 1 41 PHE QB 4.090 . 4.500 2.159 1.788 3.271 0.012 9 0 "[ . 1 . 2]" 1
987 1 38 LEU HB2 1 41 PHE QB 5.340 . 5.870 4.456 3.504 5.304 . 0 0 "[ . 1 . 2]" 1
988 1 38 LEU MD2 1 41 PHE QB 4.330 . 4.760 2.710 1.956 3.306 . 0 0 "[ . 1 . 2]" 1
989 1 39 LYS H 1 39 LYS QB 3.510 . 3.860 2.638 2.210 3.298 . 0 0 "[ . 1 . 2]" 1
990 1 39 LYS H 1 39 LYS QG 3.550 . 3.900 2.398 1.984 3.523 . 0 0 "[ . 1 . 2]" 1
991 1 39 LYS H 1 39 LYS QD 5.050 . 5.560 3.546 2.250 4.549 . 0 0 "[ . 1 . 2]" 1
992 1 39 LYS HA 1 39 LYS QG 3.520 . 3.870 2.753 2.356 2.993 . 0 0 "[ . 1 . 2]" 1
993 1 39 LYS HA 1 39 LYS QD 4.180 . 4.600 2.593 1.844 4.018 . 0 0 "[ . 1 . 2]" 1
994 1 39 LYS QB 1 39 LYS QD 3.020 . 3.320 2.394 2.138 2.746 . 0 0 "[ . 1 . 2]" 1
995 1 39 LYS QB 1 40 GLY H 4.020 . 4.420 3.676 3.324 3.925 . 0 0 "[ . 1 . 2]" 1
996 1 39 LYS QB 1 40 GLY QA 4.640 . 5.100 4.008 3.916 4.168 . 0 0 "[ . 1 . 2]" 1
997 1 39 LYS QE 1 39 LYS QG 3.310 . 3.640 2.313 2.136 2.875 . 0 0 "[ . 1 . 2]" 1
998 1 41 PHE H 1 41 PHE QB 3.440 . 3.780 2.299 2.216 2.509 . 0 0 "[ . 1 . 2]" 1
999 1 41 PHE HA 1 42 ARG QG 4.730 . 5.200 4.165 3.359 5.114 . 0 0 "[ . 1 . 2]" 1
1000 1 41 PHE QB 1 42 ARG QG 4.760 . 5.240 3.985 2.333 5.296 0.056 20 0 "[ . 1 . 2]" 1
1001 1 42 ARG H 1 42 ARG QG 4.460 . 4.910 2.551 1.989 3.005 . 0 0 "[ . 1 . 2]" 1
1002 1 42 ARG HA 1 42 ARG QG 3.710 . 4.080 2.745 2.335 3.366 . 0 0 "[ . 1 . 2]" 1
1003 1 46 LYS H 1 46 LYS QG 4.740 . 5.210 3.390 1.982 4.514 . 0 0 "[ . 1 . 2]" 1
1004 1 46 LYS H 1 46 LYS QD 5.340 . 5.870 4.102 2.213 5.482 . 0 0 "[ . 1 . 2]" 1
1005 1 46 LYS HA 1 46 LYS QD 4.030 . 4.430 3.287 1.999 4.500 0.070 6 0 "[ . 1 . 2]" 1
1006 1 46 LYS QB 1 46 LYS QD 3.180 . 3.500 2.381 2.126 2.878 . 0 0 "[ . 1 . 2]" 1
1007 1 47 LEU H 1 47 LEU QB 3.490 . 3.840 2.743 2.259 3.350 . 0 0 "[ . 1 . 2]" 1
1008 1 47 LEU HA 1 47 LEU QD 3.650 . 4.020 2.566 1.892 3.407 . 0 0 "[ . 1 . 2]" 1
1009 1 47 LEU QB 1 48 GLU H 4.310 . 4.740 3.301 2.106 4.027 . 0 0 "[ . 1 . 2]" 1
1010 1 48 GLU H 1 48 GLU QB 3.620 . 3.980 2.600 2.281 3.075 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 12.386
_Distance_constraint_stats_list.Viol_max 0.057
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0172
_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 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.091 0.030 20 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.006 0.006 6 0 "[ . 1 . 2]"
1 8 ALA 0.011 0.011 2 0 "[ . 1 . 2]"
1 9 ARG 0.091 0.030 20 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.043 0.013 2 0 "[ . 1 . 2]"
1 12 GLU 0.011 0.011 2 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.038 0.013 2 0 "[ . 1 . 2]"
1 16 LYS 0.024 0.017 13 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.024 0.017 13 0 "[ . 1 . 2]"
1 24 GLU 0.003 0.003 16 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.014 0.014 12 0 "[ . 1 . 2]"
1 28 ALA 0.061 0.041 19 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.075 0.023 1 0 "[ . 1 . 2]"
1 32 LYS 0.185 0.044 10 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.248 0.057 1 0 "[ . 1 . 2]"
1 36 GLU 0.127 0.044 10 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.187 0.057 1 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 4 ASN O 1 8 ALA N 2.800 2.400 3.300 2.911 2.770 3.136 . 0 0 "[ . 1 . 2]" 2
2 1 4 ASN O 1 8 ALA H 1.800 . 2.300 1.954 1.794 2.165 . 0 0 "[ . 1 . 2]" 2
3 1 5 ALA O 1 9 ARG N 2.800 2.400 3.300 3.045 2.850 3.242 . 0 0 "[ . 1 . 2]" 2
4 1 5 ALA O 1 9 ARG H 1.800 . 2.300 2.142 1.964 2.330 0.030 20 0 "[ . 1 . 2]" 2
5 1 6 LYS O 1 10 ILE N 2.800 2.400 3.300 2.859 2.780 2.966 . 0 0 "[ . 1 . 2]" 2
6 1 6 LYS O 1 10 ILE H 1.800 . 2.300 1.942 1.860 2.024 . 0 0 "[ . 1 . 2]" 2
7 1 7 ILE O 1 11 ASN N 2.800 2.400 3.300 3.043 2.864 3.260 . 0 0 "[ . 1 . 2]" 2
8 1 7 ILE O 1 11 ASN H 1.800 . 2.300 2.086 1.892 2.306 0.006 6 0 "[ . 1 . 2]" 2
9 1 8 ALA O 1 12 GLU N 2.800 2.400 3.300 2.981 2.809 3.204 . 0 0 "[ . 1 . 2]" 2
10 1 8 ALA O 1 12 GLU H 1.800 . 2.300 2.058 1.902 2.311 0.011 2 0 "[ . 1 . 2]" 2
11 1 9 ARG O 1 13 LEU N 2.800 2.400 3.300 2.866 2.777 2.987 . 0 0 "[ . 1 . 2]" 2
12 1 9 ARG O 1 13 LEU H 1.800 . 2.300 1.897 1.829 2.005 . 0 0 "[ . 1 . 2]" 2
13 1 10 ILE O 1 14 ALA N 2.800 2.400 3.300 2.764 2.688 2.845 . 0 0 "[ . 1 . 2]" 2
14 1 10 ILE O 1 14 ALA H 1.800 . 2.300 1.869 1.779 1.936 . 0 0 "[ . 1 . 2]" 2
15 1 11 ASN O 1 15 ALA N 2.800 2.400 3.300 3.057 2.820 3.246 . 0 0 "[ . 1 . 2]" 2
16 1 11 ASN O 1 15 ALA H 1.800 . 2.300 2.134 1.903 2.313 0.013 2 0 "[ . 1 . 2]" 2
17 1 13 LEU O 1 17 ALA N 2.800 2.400 3.300 2.795 2.725 2.912 . 0 0 "[ . 1 . 2]" 2
18 1 13 LEU O 1 17 ALA H 1.800 . 2.300 1.920 1.837 2.037 . 0 0 "[ . 1 . 2]" 2
19 1 14 ALA O 1 18 LYS N 2.800 2.400 3.300 2.945 2.732 3.268 . 0 0 "[ . 1 . 2]" 2
20 1 14 ALA O 1 18 LYS H 1.800 . 2.300 2.002 1.833 2.298 . 0 0 "[ . 1 . 2]" 2
21 1 15 ALA O 1 19 ALA N 2.800 2.400 3.300 2.864 2.770 2.975 . 0 0 "[ . 1 . 2]" 2
22 1 15 ALA O 1 19 ALA H 1.800 . 2.300 1.977 1.879 2.128 . 0 0 "[ . 1 . 2]" 2
23 1 16 LYS O 1 20 GLY N 2.800 2.400 3.300 2.722 2.622 2.845 . 0 0 "[ . 1 . 2]" 2
24 1 16 LYS O 1 20 GLY H 1.800 . 2.300 2.097 1.865 2.317 0.017 13 0 "[ . 1 . 2]" 2
25 1 24 GLU O 1 28 ALA N 2.800 2.400 3.300 2.937 2.741 3.163 . 0 0 "[ . 1 . 2]" 2
26 1 24 GLU O 1 28 ALA H 1.800 . 2.300 2.018 1.877 2.303 0.003 16 0 "[ . 1 . 2]" 2
27 1 25 GLU O 1 29 GLU N 2.800 2.400 3.300 2.946 2.779 3.138 . 0 0 "[ . 1 . 2]" 2
28 1 25 GLU O 1 29 GLU H 1.800 . 2.300 2.008 1.878 2.224 . 0 0 "[ . 1 . 2]" 2
29 1 26 GLU O 1 30 GLN N 2.800 2.400 3.300 2.812 2.719 2.915 . 0 0 "[ . 1 . 2]" 2
30 1 26 GLU O 1 30 GLN H 1.800 . 2.300 1.872 1.820 1.975 . 0 0 "[ . 1 . 2]" 2
31 1 27 LYS O 1 31 GLN N 2.800 2.400 3.300 2.997 2.803 3.274 . 0 0 "[ . 1 . 2]" 2
32 1 27 LYS O 1 31 GLN H 1.800 . 2.300 2.051 1.852 2.314 0.014 12 0 "[ . 1 . 2]" 2
33 1 28 ALA O 1 32 LYS N 2.800 2.400 3.300 3.021 2.765 3.298 . 0 0 "[ . 1 . 2]" 2
34 1 28 ALA O 1 32 LYS H 1.800 . 2.300 2.068 1.837 2.341 0.041 19 0 "[ . 1 . 2]" 2
35 1 29 GLU O 1 33 LEU N 2.800 2.400 3.300 2.849 2.628 3.032 . 0 0 "[ . 1 . 2]" 2
36 1 29 GLU O 1 33 LEU H 1.800 . 2.300 1.892 1.753 2.088 . 0 0 "[ . 1 . 2]" 2
37 1 30 GLN O 1 34 ARG N 2.800 2.400 3.300 2.866 2.760 3.054 . 0 0 "[ . 1 . 2]" 2
38 1 30 GLN O 1 34 ARG H 1.800 . 2.300 1.963 1.870 2.130 . 0 0 "[ . 1 . 2]" 2
39 1 31 GLN O 1 35 GLN N 2.800 2.400 3.300 2.998 2.810 3.238 . 0 0 "[ . 1 . 2]" 2
40 1 31 GLN O 1 35 GLN H 1.800 . 2.300 2.092 1.916 2.323 0.023 1 0 "[ . 1 . 2]" 2
41 1 32 LYS O 1 36 GLU N 2.800 2.400 3.300 3.103 2.889 3.293 . 0 0 "[ . 1 . 2]" 2
42 1 32 LYS O 1 36 GLU H 1.800 . 2.300 2.161 1.949 2.344 0.044 10 0 "[ . 1 . 2]" 2
43 1 33 LEU O 1 37 TYR N 2.800 2.400 3.300 2.844 2.677 3.067 . 0 0 "[ . 1 . 2]" 2
44 1 33 LEU O 1 37 TYR H 1.800 . 2.300 1.978 1.865 2.203 . 0 0 "[ . 1 . 2]" 2
45 1 34 ARG O 1 38 LEU N 2.800 2.400 3.300 2.846 2.698 2.980 . 0 0 "[ . 1 . 2]" 2
46 1 34 ARG O 1 38 LEU H 1.800 . 2.300 2.017 1.883 2.194 . 0 0 "[ . 1 . 2]" 2
47 1 35 GLN O 1 39 LYS N 2.800 2.400 3.300 2.976 2.744 3.152 . 0 0 "[ . 1 . 2]" 2
48 1 35 GLN O 1 39 LYS H 1.800 . 2.300 2.227 1.863 2.357 0.057 1 0 "[ . 1 . 2]" 2
stop_
save_