NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595853 |
2myw   |
25460 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2myw
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 1332
_Distance_constraint_stats_list.Viol_count 2069
_Distance_constraint_stats_list.Viol_total 1872.259
_Distance_constraint_stats_list.Viol_max 0.334
_Distance_constraint_stats_list.Viol_rms 0.0161
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0452
_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 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 2.178 0.120 5 0 "[ . 1 . 2]"
1 22 GLU 3.009 0.169 9 0 "[ . 1 . 2]"
1 23 ASN 1.089 0.177 16 0 "[ . 1 . 2]"
1 24 LEU 2.013 0.177 16 0 "[ . 1 . 2]"
1 25 TYR 0.612 0.122 13 0 "[ . 1 . 2]"
1 26 PHE 0.087 0.032 13 0 "[ . 1 . 2]"
1 27 GLN 3.296 0.334 17 0 "[ . 1 . 2]"
1 28 GLY 2.229 0.334 17 0 "[ . 1 . 2]"
1 29 HIS 0.461 0.178 12 0 "[ . 1 . 2]"
1 30 MET 1.195 0.128 5 0 "[ . 1 . 2]"
1 31 ALA 2.178 0.218 15 0 "[ . 1 . 2]"
1 32 ALA 1.801 0.218 15 0 "[ . 1 . 2]"
1 33 PRO 0.094 0.040 7 0 "[ . 1 . 2]"
1 34 ALA 0.033 0.020 2 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.462 0.076 9 0 "[ . 1 . 2]"
1 37 CYS 3.445 0.186 15 0 "[ . 1 . 2]"
1 38 VAL 1.791 0.104 17 0 "[ . 1 . 2]"
1 39 TYR 1.560 0.070 17 0 "[ . 1 . 2]"
1 40 TYR 1.080 0.112 9 0 "[ . 1 . 2]"
1 41 ASP 0.993 0.065 13 0 "[ . 1 . 2]"
1 42 GLY 2.020 0.140 8 0 "[ . 1 . 2]"
1 43 HIS 2.180 0.140 8 0 "[ . 1 . 2]"
1 44 LEU 3.127 0.088 13 0 "[ . 1 . 2]"
1 45 PRO 1.164 0.091 7 0 "[ . 1 . 2]"
1 46 ALA 0.612 0.091 7 0 "[ . 1 . 2]"
1 47 THR 0.246 0.089 9 0 "[ . 1 . 2]"
1 48 ARG 2.249 0.089 9 0 "[ . 1 . 2]"
1 49 VAL 0.886 0.065 13 0 "[ . 1 . 2]"
1 50 LEU 1.205 0.112 9 0 "[ . 1 . 2]"
1 51 LEU 0.370 0.054 13 0 "[ . 1 . 2]"
1 52 MET 5.708 0.180 7 0 "[ . 1 . 2]"
1 53 TYR 2.665 0.180 7 0 "[ . 1 . 2]"
1 54 VAL 0.639 0.076 9 0 "[ . 1 . 2]"
1 55 ARG 2.337 0.147 7 0 "[ . 1 . 2]"
1 56 ILE 3.232 0.147 7 0 "[ . 1 . 2]"
1 57 GLY 0.986 0.096 3 0 "[ . 1 . 2]"
1 58 THR 2.444 0.140 3 0 "[ . 1 . 2]"
1 59 THR 4.429 0.140 3 0 "[ . 1 . 2]"
1 60 ALA 3.728 0.118 13 0 "[ . 1 . 2]"
1 61 THR 0.350 0.033 20 0 "[ . 1 . 2]"
1 62 ILE 3.666 0.120 17 0 "[ . 1 . 2]"
1 63 THR 3.217 0.120 17 0 "[ . 1 . 2]"
1 64 ALA 0.237 0.036 18 0 "[ . 1 . 2]"
1 65 ARG 2.461 0.133 1 0 "[ . 1 . 2]"
1 66 GLY 1.279 0.079 19 0 "[ . 1 . 2]"
1 67 HIS 1.128 0.050 17 0 "[ . 1 . 2]"
1 68 GLU 1.999 0.094 17 0 "[ . 1 . 2]"
1 69 PHE 2.106 0.110 4 0 "[ . 1 . 2]"
1 70 GLU 1.573 0.144 5 0 "[ . 1 . 2]"
1 71 VAL 4.386 0.241 4 0 "[ . 1 . 2]"
1 72 GLU 1.792 0.099 9 0 "[ . 1 . 2]"
1 73 ALA 1.480 0.106 18 0 "[ . 1 . 2]"
1 74 LYS 1.988 0.143 19 0 "[ . 1 . 2]"
1 75 ASP 2.702 0.150 20 0 "[ . 1 . 2]"
1 76 GLN 0.302 0.055 16 0 "[ . 1 . 2]"
1 77 ASN 1.722 0.150 20 0 "[ . 1 . 2]"
1 78 CYS 0.552 0.078 19 0 "[ . 1 . 2]"
1 79 LYS 8.030 0.230 2 0 "[ . 1 . 2]"
1 80 VAL 1.059 0.168 17 0 "[ . 1 . 2]"
1 81 ILE 1.497 0.080 9 0 "[ . 1 . 2]"
1 82 LEU 6.190 0.241 4 0 "[ . 1 . 2]"
1 83 THR 3.875 0.202 13 0 "[ . 1 . 2]"
1 84 ASN 0.409 0.109 1 0 "[ . 1 . 2]"
1 85 GLY 1.710 0.122 15 0 "[ . 1 . 2]"
1 86 LYS 5.557 0.139 19 0 "[ . 1 . 2]"
1 87 GLN 2.313 0.107 15 0 "[ . 1 . 2]"
1 88 ALA 2.288 0.133 9 0 "[ . 1 . 2]"
1 89 PRO 2.581 0.133 9 0 "[ . 1 . 2]"
1 90 ASP 0.414 0.038 13 0 "[ . 1 . 2]"
1 91 TRP 3.318 0.121 9 0 "[ . 1 . 2]"
1 92 LEU 1.743 0.072 17 0 "[ . 1 . 2]"
1 93 ALA 2.327 0.074 9 0 "[ . 1 . 2]"
1 94 ALA 0.662 0.051 3 0 "[ . 1 . 2]"
1 95 GLU 1.403 0.112 12 0 "[ . 1 . 2]"
1 96 PRO 3.801 0.151 4 0 "[ . 1 . 2]"
1 97 TYR 1.799 0.186 15 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 19 SER HA 1 19 SER HB2 2.700 . 3.600 2.777 2.477 3.032 . 0 0 "[ . 1 . 2]" 1
2 1 19 SER HA 1 19 SER HB3 2.700 . 3.600 2.565 2.356 3.052 . 0 0 "[ . 1 . 2]" 1
3 1 21 ARG HA 1 21 ARG HB2 2.700 . 3.600 2.908 2.436 3.029 . 0 0 "[ . 1 . 2]" 1
4 1 21 ARG HB3 1 21 ARG HD3 2.700 . 3.600 2.596 2.272 3.121 . 0 0 "[ . 1 . 2]" 1
5 1 21 ARG HA 1 21 ARG HG3 2.700 . 3.600 3.057 2.575 3.678 0.078 17 0 "[ . 1 . 2]" 1
6 1 21 ARG HB3 1 21 ARG HG3 2.700 . 3.600 2.980 2.511 3.018 . 0 0 "[ . 1 . 2]" 1
7 1 21 ARG HB2 1 21 ARG HD3 3.100 . 4.400 2.820 2.172 3.832 . 0 0 "[ . 1 . 2]" 1
8 1 21 ARG HB2 1 21 ARG HG3 2.300 . 2.800 2.415 2.331 2.462 . 0 0 "[ . 1 . 2]" 1
9 1 21 ARG HA 1 21 ARG HD3 3.100 . 4.400 4.316 3.114 4.520 0.120 5 0 "[ . 1 . 2]" 1
10 1 22 GLU HB3 1 22 GLU HG3 2.700 . 3.600 2.867 2.470 3.016 . 0 0 "[ . 1 . 2]" 1
11 1 22 GLU HA 1 22 GLU HB2 2.700 . 3.600 2.720 2.414 3.014 . 0 0 "[ . 1 . 2]" 1
12 1 22 GLU HA 1 22 GLU HB3 2.700 . 3.600 2.616 2.294 3.022 . 0 0 "[ . 1 . 2]" 1
13 1 22 GLU HB2 1 22 GLU HG3 2.700 . 3.600 2.462 2.290 3.016 . 0 0 "[ . 1 . 2]" 1
14 1 22 GLU HA 1 22 GLU HG3 2.700 . 3.600 3.150 2.495 3.728 0.128 6 0 "[ . 1 . 2]" 1
15 1 24 LEU HA 1 25 TYR QD 4.350 . 6.900 4.859 3.393 6.032 . 0 0 "[ . 1 . 2]" 1
16 1 24 LEU HA 1 24 LEU HB3 2.700 . 3.600 2.783 2.531 3.017 . 0 0 "[ . 1 . 2]" 1
17 1 24 LEU HB3 1 24 LEU MD1 2.800 . 3.800 3.129 2.395 3.227 . 0 0 "[ . 1 . 2]" 1
18 1 24 LEU HA 1 24 LEU MD2 3.200 . 4.600 3.675 1.974 3.914 . 0 0 "[ . 1 . 2]" 1
19 1 24 LEU HA 1 24 LEU MD1 3.200 . 4.600 2.621 2.060 3.805 . 0 0 "[ . 1 . 2]" 1
20 1 24 LEU HB3 1 24 LEU MD2 3.200 . 4.600 2.270 2.228 2.370 . 0 0 "[ . 1 . 2]" 1
21 1 24 LEU HB3 1 24 LEU HG 2.300 . 2.800 2.544 2.475 2.936 0.136 4 0 "[ . 1 . 2]" 1
22 1 24 LEU HA 1 24 LEU HG 2.300 . 2.800 2.676 2.389 2.900 0.100 14 0 "[ . 1 . 2]" 1
23 1 25 TYR HA 1 25 TYR QD 4.150 . 6.500 2.722 2.169 3.767 . 0 0 "[ . 1 . 2]" 1
24 1 25 TYR HB2 1 25 TYR QE 4.350 . 6.900 4.420 4.378 4.495 . 0 0 "[ . 1 . 2]" 1
25 1 26 PHE HA 1 26 PHE QD 4.150 . 6.500 2.866 2.454 3.770 . 0 0 "[ . 1 . 2]" 1
26 1 27 GLN HA 1 27 GLN HB2 2.700 . 3.600 2.562 2.424 3.033 . 0 0 "[ . 1 . 2]" 1
27 1 27 GLN HA 1 27 GLN HB3 2.700 . 3.600 2.803 2.292 3.035 . 0 0 "[ . 1 . 2]" 1
28 1 27 GLN HA 1 27 GLN HG3 2.700 . 3.600 2.888 2.429 3.710 0.110 4 0 "[ . 1 . 2]" 1
29 1 30 MET HA 1 30 MET HB3 2.700 . 3.600 2.727 2.445 3.030 . 0 0 "[ . 1 . 2]" 1
30 1 30 MET HB3 1 32 ALA HA 3.100 . 4.400 4.237 2.874 4.528 0.128 5 0 "[ . 1 . 2]" 1
31 1 30 MET HA 1 30 MET HB2 2.700 . 3.600 2.830 2.538 3.032 . 0 0 "[ . 1 . 2]" 1
32 1 30 MET HB2 1 30 MET HG2 2.700 . 3.600 2.834 2.402 3.023 . 0 0 "[ . 1 . 2]" 1
33 1 30 MET HA 1 30 MET HG2 2.700 . 3.600 2.918 2.496 3.682 0.082 6 0 "[ . 1 . 2]" 1
34 1 30 MET HA 1 30 MET HG3 2.700 . 3.600 2.955 2.467 3.662 0.062 10 0 "[ . 1 . 2]" 1
35 1 30 MET HB3 1 32 ALA MB 3.600 . 5.400 4.525 2.414 5.435 0.035 20 0 "[ . 1 . 2]" 1
36 1 32 ALA HA 1 33 PRO HD2 2.700 . 3.600 2.313 2.080 2.764 . 0 0 "[ . 1 . 2]" 1
37 1 33 PRO HA 1 33 PRO HG3 3.100 . 4.400 3.686 2.910 4.057 . 0 0 "[ . 1 . 2]" 1
38 1 33 PRO HB3 1 33 PRO HG2 2.700 . 3.600 2.852 2.602 2.972 . 0 0 "[ . 1 . 2]" 1
39 1 34 ALA MB 1 96 PRO HA 3.600 . 5.400 3.003 2.544 3.769 . 0 0 "[ . 1 . 2]" 1
40 1 34 ALA MB 1 96 PRO HB3 3.600 . 5.400 2.821 2.314 3.336 . 0 0 "[ . 1 . 2]" 1
41 1 34 ALA MB 1 96 PRO HB2 3.600 . 5.400 2.483 2.087 3.590 . 0 0 "[ . 1 . 2]" 1
42 1 34 ALA HA 1 56 ILE MD 3.800 . 5.800 4.821 3.974 5.564 . 0 0 "[ . 1 . 2]" 1
43 1 34 ALA MB 1 56 ILE MD 3.700 . 5.600 2.767 2.184 3.489 . 0 0 "[ . 1 . 2]" 1
44 1 35 ARG HA 1 35 ARG HG3 2.700 . 3.600 2.919 2.408 3.345 . 0 0 "[ . 1 . 2]" 1
45 1 35 ARG HG3 1 36 PHE QD 4.150 . 6.500 4.941 3.661 5.641 . 0 0 "[ . 1 . 2]" 1
46 1 35 ARG QB 1 36 PHE QR 4.950 . 8.100 2.483 2.065 3.056 . 0 0 "[ . 1 . 2]" 1
47 1 36 PHE QR 1 56 ILE QG 4.750 . 7.700 4.781 4.628 4.947 . 0 0 "[ . 1 . 2]" 1
48 1 36 PHE QD 1 97 TYR HA 4.350 . 6.900 5.855 5.366 6.227 . 0 0 "[ . 1 . 2]" 1
49 1 36 PHE HB3 1 53 TYR QD 4.150 . 6.500 3.400 2.866 4.907 . 0 0 "[ . 1 . 2]" 1
50 1 36 PHE QD 1 56 ILE MD 4.850 . 7.900 5.558 5.209 6.024 . 0 0 "[ . 1 . 2]" 1
51 1 36 PHE QR 1 55 ARG QB 4.750 . 7.700 2.918 2.260 4.625 . 0 0 "[ . 1 . 2]" 1
52 1 36 PHE HB2 1 97 TYR HB3 3.100 . 4.400 2.145 1.874 4.420 0.020 18 0 "[ . 1 . 2]" 1
53 1 36 PHE HA 1 55 ARG HA 3.100 . 4.400 2.376 1.937 2.924 . 0 0 "[ . 1 . 2]" 1
54 1 36 PHE QB 1 38 VAL QG 4.850 . 7.900 3.554 2.880 3.950 . 0 0 "[ . 1 . 2]" 1
55 1 36 PHE HA 1 36 PHE QD 4.150 . 6.500 3.094 2.882 3.721 . 0 0 "[ . 1 . 2]" 1
56 1 36 PHE QD 1 53 TYR HB3 4.150 . 6.500 3.042 2.259 3.794 . 0 0 "[ . 1 . 2]" 1
57 1 36 PHE QD 1 53 TYR QD 5.250 . 8.700 4.143 2.367 4.927 . 0 0 "[ . 1 . 2]" 1
58 1 36 PHE QE 1 55 ARG HD3 4.150 . 6.500 3.448 2.387 5.583 . 0 0 "[ . 1 . 2]" 1
59 1 36 PHE HB3 1 53 TYR HB3 3.300 . 4.800 2.820 2.215 4.290 . 0 0 "[ . 1 . 2]" 1
60 1 36 PHE HB2 1 53 TYR QD 4.150 . 6.500 3.385 2.401 4.111 . 0 0 "[ . 1 . 2]" 1
61 1 36 PHE QD 1 53 TYR QE 5.450 . 9.100 5.703 3.994 6.640 . 0 0 "[ . 1 . 2]" 1
62 1 36 PHE QD 1 56 ILE HG12 4.350 . 6.900 5.706 4.973 6.481 . 0 0 "[ . 1 . 2]" 1
63 1 36 PHE HA 1 56 ILE MD 3.600 . 5.400 3.764 3.317 4.154 . 0 0 "[ . 1 . 2]" 1
64 1 36 PHE HB2 1 97 TYR QD 4.150 . 6.500 2.455 1.906 5.504 . 0 0 "[ . 1 . 2]" 1
65 1 36 PHE QR 1 38 VAL QG 5.400 . 9.000 4.702 2.367 5.190 . 0 0 "[ . 1 . 2]" 1
66 1 36 PHE HA 1 56 ILE MG 3.800 . 5.800 5.262 4.860 5.734 . 0 0 "[ . 1 . 2]" 1
67 1 36 PHE QR 1 55 ARG QG 4.750 . 7.700 3.916 3.115 4.986 . 0 0 "[ . 1 . 2]" 1
68 1 36 PHE QD 1 55 ARG HA 4.150 . 6.500 2.828 2.336 3.993 . 0 0 "[ . 1 . 2]" 1
69 1 36 PHE QD 1 97 TYR QE 5.250 . 8.700 3.585 2.795 5.401 . 0 0 "[ . 1 . 2]" 1
70 1 37 CYS HA 1 96 PRO HA 2.700 . 3.600 2.753 2.221 3.033 . 0 0 "[ . 1 . 2]" 1
71 1 37 CYS HB2 1 39 TYR QE 3.750 . 5.700 2.907 2.179 4.720 . 0 0 "[ . 1 . 2]" 1
72 1 37 CYS HB2 1 73 ALA MB 3.600 . 5.400 3.176 2.648 3.824 . 0 0 "[ . 1 . 2]" 1
73 1 37 CYS QB 1 54 VAL QG 4.250 . 6.700 3.552 3.101 3.884 . 0 0 "[ . 1 . 2]" 1
74 1 37 CYS HB3 1 39 TYR QE 4.150 . 6.500 3.068 2.098 3.606 . 0 0 "[ . 1 . 2]" 1
75 1 37 CYS QB 1 96 PRO HA 3.750 . 5.700 3.938 3.165 4.321 . 0 0 "[ . 1 . 2]" 1
76 1 37 CYS HB3 1 73 ALA MB 3.600 . 5.400 4.029 3.004 4.931 . 0 0 "[ . 1 . 2]" 1
77 1 37 CYS HB3 1 39 TYR QD 4.350 . 6.900 4.030 3.367 4.437 . 0 0 "[ . 1 . 2]" 1
78 1 37 CYS HA 1 39 TYR QE 4.350 . 6.900 5.070 4.852 5.635 . 0 0 "[ . 1 . 2]" 1
79 1 37 CYS HB2 1 39 TYR QD 4.150 . 6.500 4.377 3.671 6.019 . 0 0 "[ . 1 . 2]" 1
80 1 37 CYS HA 1 97 TYR HA 3.300 . 4.800 4.878 4.749 4.986 0.186 15 0 "[ . 1 . 2]" 1
81 1 38 VAL MG1 1 97 TYR HB3 3.800 . 5.800 5.498 3.080 5.824 0.024 6 0 "[ . 1 . 2]" 1
82 1 38 VAL HB 1 95 GLU HG3 3.300 . 4.800 3.749 2.248 4.861 0.061 12 0 "[ . 1 . 2]" 1
83 1 38 VAL HB 1 40 TYR QE 3.750 . 5.700 2.663 2.383 3.154 . 0 0 "[ . 1 . 2]" 1
84 1 38 VAL MG1 1 50 LEU HA 3.600 . 5.400 3.990 3.737 5.409 0.009 12 0 "[ . 1 . 2]" 1
85 1 38 VAL MG2 1 53 TYR QD 4.650 . 7.500 2.413 2.004 4.607 . 0 0 "[ . 1 . 2]" 1
86 1 38 VAL HA 1 39 TYR QD 4.150 . 6.500 3.404 3.159 3.651 . 0 0 "[ . 1 . 2]" 1
87 1 38 VAL MG1 1 50 LEU HG 3.600 . 5.400 4.031 3.709 4.203 . 0 0 "[ . 1 . 2]" 1
88 1 38 VAL MG1 1 53 TYR QE 4.700 . 7.600 3.029 2.584 3.979 . 0 0 "[ . 1 . 2]" 1
89 1 38 VAL MG1 1 53 TYR QD 4.650 . 7.500 3.354 2.506 3.800 . 0 0 "[ . 1 . 2]" 1
90 1 38 VAL MG1 1 97 TYR HB2 3.800 . 5.800 4.410 2.176 4.864 . 0 0 "[ . 1 . 2]" 1
91 1 38 VAL MG1 1 97 TYR QD 4.850 . 7.900 4.445 2.696 5.527 . 0 0 "[ . 1 . 2]" 1
92 1 38 VAL MG2 1 97 TYR QD 4.650 . 7.500 2.683 1.930 3.676 . 0 0 "[ . 1 . 2]" 1
93 1 38 VAL MG2 1 50 LEU MD2 3.700 . 5.600 3.814 3.181 3.971 . 0 0 "[ . 1 . 2]" 1
94 1 38 VAL QG 1 40 TYR QR 5.000 . 8.200 2.633 2.066 2.793 . 0 0 "[ . 1 . 2]" 1
95 1 38 VAL MG2 1 97 TYR HA 3.600 . 5.400 3.612 3.231 4.397 . 0 0 "[ . 1 . 2]" 1
96 1 38 VAL HB 1 53 TYR QD 4.350 . 6.900 5.117 4.785 5.417 . 0 0 "[ . 1 . 2]" 1
97 1 38 VAL MG2 1 53 TYR QE 4.700 . 7.600 2.531 2.026 4.619 . 0 0 "[ . 1 . 2]" 1
98 1 38 VAL HB 1 53 TYR QE 4.350 . 6.900 4.950 4.562 5.518 . 0 0 "[ . 1 . 2]" 1
99 1 38 VAL MG2 1 97 TYR HB2 3.600 . 5.400 1.993 1.821 2.333 . 0 0 "[ . 1 . 2]" 1
100 1 38 VAL HA 1 53 TYR HA 3.100 . 4.400 2.499 2.366 2.645 . 0 0 "[ . 1 . 2]" 1
101 1 38 VAL MG1 1 50 LEU MD1 4.100 . 6.400 3.776 3.279 3.940 . 0 0 "[ . 1 . 2]" 1
102 1 38 VAL MG2 1 53 TYR HA 3.600 . 5.400 3.772 2.855 5.041 . 0 0 "[ . 1 . 2]" 1
103 1 38 VAL MG1 1 50 LEU MD2 3.700 . 5.600 2.030 1.940 2.194 . 0 0 "[ . 1 . 2]" 1
104 1 38 VAL MG2 1 97 TYR HB3 3.600 . 5.400 3.217 2.823 3.776 . 0 0 "[ . 1 . 2]" 1
105 1 38 VAL MG1 1 53 TYR HA 3.600 . 5.400 3.647 3.130 3.903 . 0 0 "[ . 1 . 2]" 1
106 1 39 TYR QE 1 54 VAL HA 4.150 . 6.500 4.828 4.529 5.109 . 0 0 "[ . 1 . 2]" 1
107 1 39 TYR QB 1 94 ALA HA 3.750 . 5.700 4.229 4.007 4.312 . 0 0 "[ . 1 . 2]" 1
108 1 39 TYR QD 1 94 ALA HA 4.350 . 6.900 3.924 3.479 4.162 . 0 0 "[ . 1 . 2]" 1
109 1 39 TYR QB 1 62 ILE MG 4.050 . 6.300 2.968 2.640 3.328 . 0 0 "[ . 1 . 2]" 1
110 1 39 TYR QE 1 71 VAL HB 4.150 . 6.500 3.864 3.423 4.567 . 0 0 "[ . 1 . 2]" 1
111 1 39 TYR QD 1 62 ILE HG12 4.350 . 6.900 5.071 4.649 5.486 . 0 0 "[ . 1 . 2]" 1
112 1 39 TYR QE 1 62 ILE MD 4.900 . 8.000 3.570 3.209 4.097 . 0 0 "[ . 1 . 2]" 1
113 1 39 TYR QD 1 62 ILE MD 4.650 . 7.500 3.193 2.996 3.606 . 0 0 "[ . 1 . 2]" 1
114 1 39 TYR HA 1 39 TYR QE 4.350 . 6.900 4.644 4.572 4.699 . 0 0 "[ . 1 . 2]" 1
115 1 39 TYR QD 1 92 LEU HG 4.150 . 6.500 2.333 1.940 2.810 . 0 0 "[ . 1 . 2]" 1
116 1 39 TYR HA 1 39 TYR QD 4.150 . 6.500 3.093 2.976 3.157 . 0 0 "[ . 1 . 2]" 1
117 1 39 TYR HA 1 94 ALA HA 2.700 . 3.600 2.360 2.218 2.526 . 0 0 "[ . 1 . 2]" 1
118 1 39 TYR QE 1 80 VAL HA 3.750 . 5.700 4.186 3.431 4.830 . 0 0 "[ . 1 . 2]" 1
119 1 39 TYR HB2 1 39 TYR QE 4.150 . 6.500 4.455 4.422 4.483 . 0 0 "[ . 1 . 2]" 1
120 1 39 TYR QD 1 80 VAL HA 4.350 . 6.900 6.337 5.594 6.948 0.048 13 0 "[ . 1 . 2]" 1
121 1 39 TYR QE 1 92 LEU MD1 4.700 . 7.600 4.172 3.923 4.453 . 0 0 "[ . 1 . 2]" 1
122 1 39 TYR QE 1 62 ILE MG 4.900 . 8.000 4.937 4.414 5.574 . 0 0 "[ . 1 . 2]" 1
123 1 39 TYR QE 1 71 VAL MG1 4.300 . 6.800 3.188 2.402 4.053 . 0 0 "[ . 1 . 2]" 1
124 1 39 TYR QD 1 62 ILE MG 4.650 . 7.500 3.727 3.051 4.392 . 0 0 "[ . 1 . 2]" 1
125 1 39 TYR HB3 1 51 LEU HB3 3.300 . 4.800 4.480 4.218 4.802 0.002 12 0 "[ . 1 . 2]" 1
126 1 39 TYR HA 1 93 ALA MB 3.800 . 5.800 4.252 4.094 4.433 . 0 0 "[ . 1 . 2]" 1
127 1 39 TYR QE 1 54 VAL HB 3.750 . 5.700 2.048 1.890 2.272 . 0 0 "[ . 1 . 2]" 1
128 1 39 TYR HA 1 94 ALA MB 3.600 . 5.400 3.349 3.006 3.894 . 0 0 "[ . 1 . 2]" 1
129 1 39 TYR QB 1 62 ILE MD 3.650 . 5.500 2.823 2.520 3.134 . 0 0 "[ . 1 . 2]" 1
130 1 39 TYR QD 1 92 LEU MD1 4.250 . 6.700 2.445 2.181 2.799 . 0 0 "[ . 1 . 2]" 1
131 1 39 TYR HB3 1 51 LEU HB2 3.100 . 4.400 3.198 2.977 3.433 . 0 0 "[ . 1 . 2]" 1
132 1 39 TYR QD 1 71 VAL MG1 4.650 . 7.500 4.089 3.492 4.851 . 0 0 "[ . 1 . 2]" 1
133 1 39 TYR QB 1 54 VAL QG 4.650 . 7.500 3.800 3.326 4.172 . 0 0 "[ . 1 . 2]" 1
134 1 39 TYR HB3 1 92 LEU MD2 3.600 . 5.400 4.123 3.806 4.644 . 0 0 "[ . 1 . 2]" 1
135 1 39 TYR HB3 1 92 LEU MD1 3.600 . 5.400 2.452 2.082 2.837 . 0 0 "[ . 1 . 2]" 1
136 1 39 TYR HA 1 40 TYR QD 4.150 . 6.500 3.431 3.179 3.708 . 0 0 "[ . 1 . 2]" 1
137 1 39 TYR QR 1 80 VAL QG 5.000 . 8.200 1.901 1.798 2.012 0.002 10 0 "[ . 1 . 2]" 1
138 1 39 TYR QD 1 54 VAL HB 4.150 . 6.500 3.605 3.239 3.963 . 0 0 "[ . 1 . 2]" 1
139 1 39 TYR QR 1 54 VAL QG 5.000 . 8.200 2.180 1.996 2.385 . 0 0 "[ . 1 . 2]" 1
140 1 39 TYR HB3 1 51 LEU MD1 3.600 . 5.400 2.774 2.569 3.076 . 0 0 "[ . 1 . 2]" 1
141 1 40 TYR HA 1 40 TYR QD 4.150 . 6.500 3.047 2.881 3.198 . 0 0 "[ . 1 . 2]" 1
142 1 40 TYR QE 1 50 LEU HB2 3.750 . 5.700 2.835 2.245 3.524 . 0 0 "[ . 1 . 2]" 1
143 1 40 TYR HA 1 50 LEU HA 3.100 . 4.400 2.801 2.527 2.920 . 0 0 "[ . 1 . 2]" 1
144 1 40 TYR QD 1 95 GLU HB3 4.350 . 6.900 5.283 4.478 5.965 . 0 0 "[ . 1 . 2]" 1
145 1 40 TYR QD 1 50 LEU HG 4.150 . 6.500 5.137 4.770 5.412 . 0 0 "[ . 1 . 2]" 1
146 1 40 TYR HB2 1 50 LEU HA 3.300 . 4.800 4.850 4.713 4.912 0.112 9 0 "[ . 1 . 2]" 1
147 1 40 TYR HB3 1 93 ALA MB 3.600 . 5.400 3.723 3.476 4.280 . 0 0 "[ . 1 . 2]" 1
148 1 40 TYR QD 1 50 LEU MD2 4.650 . 7.500 3.356 2.826 3.607 . 0 0 "[ . 1 . 2]" 1
149 1 40 TYR HB2 1 93 ALA MB 3.600 . 5.400 2.211 1.933 2.865 . 0 0 "[ . 1 . 2]" 1
150 1 40 TYR QE 1 95 GLU HG3 4.150 . 6.500 2.626 1.949 3.629 . 0 0 "[ . 1 . 2]" 1
151 1 40 TYR HA 1 51 LEU MD2 3.600 . 5.400 4.012 3.812 4.153 . 0 0 "[ . 1 . 2]" 1
152 1 40 TYR QE 1 50 LEU HB3 4.150 . 6.500 4.521 3.914 5.139 . 0 0 "[ . 1 . 2]" 1
153 1 40 TYR QD 1 48 ARG HG3 4.150 . 6.500 3.183 2.545 3.591 . 0 0 "[ . 1 . 2]" 1
154 1 40 TYR QE 1 94 ALA HA 4.150 . 6.500 4.596 3.940 5.557 . 0 0 "[ . 1 . 2]" 1
155 1 40 TYR QD 1 95 GLU HG3 4.350 . 6.900 3.683 2.738 5.661 . 0 0 "[ . 1 . 2]" 1
156 1 40 TYR HB2 1 40 TYR QE 4.150 . 6.500 4.365 4.331 4.402 . 0 0 "[ . 1 . 2]" 1
157 1 40 TYR HA 1 51 LEU HG 3.100 . 4.400 2.428 2.229 2.578 . 0 0 "[ . 1 . 2]" 1
158 1 40 TYR HB3 1 40 TYR QE 4.150 . 6.500 4.396 4.379 4.411 . 0 0 "[ . 1 . 2]" 1
159 1 40 TYR QE 1 50 LEU MD2 4.300 . 6.800 2.651 2.265 3.064 . 0 0 "[ . 1 . 2]" 1
160 1 40 TYR HB3 1 50 LEU HA 3.300 . 4.800 3.762 3.451 4.103 . 0 0 "[ . 1 . 2]" 1
161 1 40 TYR QE 1 50 LEU HA 4.150 . 6.500 3.351 3.024 3.718 . 0 0 "[ . 1 . 2]" 1
162 1 40 TYR QD 1 94 ALA HA 4.150 . 6.500 3.686 3.211 4.332 . 0 0 "[ . 1 . 2]" 1
163 1 40 TYR QR 1 51 LEU QD 5.400 . 9.000 4.690 4.570 4.768 . 0 0 "[ . 1 . 2]" 1
164 1 40 TYR QD 1 50 LEU MD1 4.850 . 7.900 4.992 4.729 5.182 . 0 0 "[ . 1 . 2]" 1
165 1 40 TYR HA 1 51 LEU HB2 3.300 . 4.800 3.441 3.235 3.708 . 0 0 "[ . 1 . 2]" 1
166 1 40 TYR HA 1 40 TYR QE 4.350 . 6.900 4.825 4.668 4.975 . 0 0 "[ . 1 . 2]" 1
167 1 40 TYR HB3 1 51 LEU HG 3.300 . 4.800 4.447 4.270 4.738 . 0 0 "[ . 1 . 2]" 1
168 1 40 TYR QD 1 50 LEU HB3 4.150 . 6.500 4.449 4.245 4.684 . 0 0 "[ . 1 . 2]" 1
169 1 40 TYR QD 1 50 LEU HA 3.750 . 5.700 2.231 2.032 2.548 . 0 0 "[ . 1 . 2]" 1
170 1 40 TYR QD 1 49 VAL HA 4.350 . 6.900 3.959 3.465 4.774 . 0 0 "[ . 1 . 2]" 1
171 1 40 TYR QD 1 50 LEU HB2 4.150 . 6.500 3.261 3.005 3.524 . 0 0 "[ . 1 . 2]" 1
172 1 40 TYR QD 1 93 ALA MB 4.650 . 7.500 2.881 2.071 3.567 . 0 0 "[ . 1 . 2]" 1
173 1 41 ASP HB2 1 51 LEU MD1 3.600 . 5.400 2.301 2.094 2.574 . 0 0 "[ . 1 . 2]" 1
174 1 41 ASP HB2 1 49 VAL MG1 3.600 . 5.400 4.299 4.021 4.522 . 0 0 "[ . 1 . 2]" 1
175 1 41 ASP HA 1 49 VAL HB 3.300 . 4.800 4.813 4.692 4.858 0.058 4 0 "[ . 1 . 2]" 1
176 1 41 ASP QB 1 91 TRP HZ3 3.550 . 5.300 3.421 2.882 4.018 . 0 0 "[ . 1 . 2]" 1
177 1 41 ASP HB3 1 49 VAL MG1 3.600 . 5.400 3.572 3.434 3.664 . 0 0 "[ . 1 . 2]" 1
178 1 41 ASP HB2 1 49 VAL MG2 3.600 . 5.400 4.379 3.856 4.753 . 0 0 "[ . 1 . 2]" 1
179 1 41 ASP HB3 1 51 LEU MD1 3.200 . 4.600 3.731 3.474 3.946 . 0 0 "[ . 1 . 2]" 1
180 1 41 ASP HA 1 91 TRP HE3 2.700 . 3.600 2.574 2.193 2.906 . 0 0 "[ . 1 . 2]" 1
181 1 41 ASP HA 1 92 LEU MD1 3.600 . 5.400 3.424 3.139 3.857 . 0 0 "[ . 1 . 2]" 1
182 1 41 ASP HA 1 51 LEU MD1 3.600 . 5.400 2.880 2.640 3.273 . 0 0 "[ . 1 . 2]" 1
183 1 41 ASP HA 1 91 TRP HZ3 3.100 . 4.400 3.085 2.525 3.597 . 0 0 "[ . 1 . 2]" 1
184 1 41 ASP HB3 1 49 VAL MG2 3.600 . 5.400 3.005 2.581 3.357 . 0 0 "[ . 1 . 2]" 1
185 1 41 ASP QB 1 91 TRP HE3 3.550 . 5.300 4.070 3.588 4.435 . 0 0 "[ . 1 . 2]" 1
186 1 41 ASP HB2 1 49 VAL HB 3.100 . 4.400 3.289 2.825 3.628 . 0 0 "[ . 1 . 2]" 1
187 1 43 HIS HB3 1 43 HIS HD2 3.100 . 4.400 3.238 2.852 3.975 . 0 0 "[ . 1 . 2]" 1
188 1 43 HIS HB2 1 43 HIS HD2 3.100 . 4.400 3.637 2.716 3.975 . 0 0 "[ . 1 . 2]" 1
189 1 43 HIS HA 1 43 HIS HD2 3.100 . 4.400 4.090 2.343 4.431 0.031 5 0 "[ . 1 . 2]" 1
190 1 43 HIS HA 1 43 HIS HB2 2.700 . 3.600 2.464 2.405 2.537 . 0 0 "[ . 1 . 2]" 1
191 1 43 HIS HE1 1 44 LEU MD1 3.600 . 5.400 4.493 2.932 5.445 0.045 7 0 "[ . 1 . 2]" 1
192 1 43 HIS HD2 1 44 LEU MD1 3.800 . 5.800 5.213 3.168 5.888 0.088 13 0 "[ . 1 . 2]" 1
193 1 44 LEU HB2 1 44 LEU MD1 3.200 . 4.600 2.321 2.270 2.443 . 0 0 "[ . 1 . 2]" 1
194 1 44 LEU QB 1 45 PRO QD 4.000 . 6.200 3.440 2.876 3.657 . 0 0 "[ . 1 . 2]" 1
195 1 44 LEU MD2 1 45 PRO HD3 3.600 . 5.400 5.385 5.189 5.441 0.041 6 0 "[ . 1 . 2]" 1
196 1 44 LEU HG 1 45 PRO HD3 3.300 . 4.800 4.221 3.846 4.459 . 0 0 "[ . 1 . 2]" 1
197 1 44 LEU MD2 1 45 PRO HD2 3.600 . 5.400 4.194 3.818 4.709 . 0 0 "[ . 1 . 2]" 1
198 1 44 LEU HA 1 44 LEU MD1 3.600 . 5.400 2.131 1.918 2.755 . 0 0 "[ . 1 . 2]" 1
199 1 44 LEU HA 1 44 LEU HB2 2.700 . 3.600 2.597 2.461 3.011 . 0 0 "[ . 1 . 2]" 1
200 1 44 LEU HB2 1 44 LEU MD2 3.200 . 4.600 2.422 2.358 2.466 . 0 0 "[ . 1 . 2]" 1
201 1 44 LEU HA 1 44 LEU HB3 2.700 . 3.600 2.962 2.612 3.023 . 0 0 "[ . 1 . 2]" 1
202 1 44 LEU MD1 1 45 PRO HD3 3.600 . 5.400 3.420 3.047 4.721 . 0 0 "[ . 1 . 2]" 1
203 1 44 LEU HB3 1 44 LEU MD2 3.200 . 4.600 2.277 2.226 2.336 . 0 0 "[ . 1 . 2]" 1
204 1 44 LEU MD2 1 46 ALA MB 4.300 . 6.800 3.115 2.105 4.115 . 0 0 "[ . 1 . 2]" 1
205 1 44 LEU HB3 1 44 LEU MD1 3.200 . 4.600 3.190 3.163 3.224 . 0 0 "[ . 1 . 2]" 1
206 1 44 LEU MD1 1 45 PRO HD2 3.600 . 5.400 2.315 1.929 4.321 . 0 0 "[ . 1 . 2]" 1
207 1 44 LEU HA 1 45 PRO HD3 2.700 . 3.600 2.353 2.059 2.500 . 0 0 "[ . 1 . 2]" 1
208 1 44 LEU HA 1 44 LEU MD2 3.200 . 4.600 3.863 3.791 3.912 . 0 0 "[ . 1 . 2]" 1
209 1 44 LEU HA 1 45 PRO HG3 3.100 . 4.400 4.373 4.226 4.436 0.036 8 0 "[ . 1 . 2]" 1
210 1 44 LEU HA 1 44 LEU HG 3.100 . 4.400 2.873 2.498 3.048 . 0 0 "[ . 1 . 2]" 1
211 1 44 LEU HA 1 45 PRO HD2 2.700 . 3.600 2.113 2.016 2.263 . 0 0 "[ . 1 . 2]" 1
212 1 45 PRO HA 1 45 PRO HG2 3.100 . 4.400 3.872 3.803 3.953 . 0 0 "[ . 1 . 2]" 1
213 1 45 PRO HD3 1 45 PRO HG3 2.700 . 3.600 2.287 2.241 2.310 . 0 0 "[ . 1 . 2]" 1
214 1 45 PRO HB3 1 45 PRO HD3 3.100 . 4.400 3.172 2.834 4.010 . 0 0 "[ . 1 . 2]" 1
215 1 45 PRO HB2 1 45 PRO HD2 3.300 . 4.800 3.852 2.973 4.062 . 0 0 "[ . 1 . 2]" 1
216 1 45 PRO HB3 1 45 PRO HD2 3.100 . 4.400 3.895 3.791 4.037 . 0 0 "[ . 1 . 2]" 1
217 1 45 PRO HA 1 45 PRO HG3 3.100 . 4.400 3.747 2.767 4.048 . 0 0 "[ . 1 . 2]" 1
218 1 45 PRO HB2 1 45 PRO HG3 2.700 . 3.600 2.744 2.648 2.983 . 0 0 "[ . 1 . 2]" 1
219 1 45 PRO HB2 1 45 PRO HD3 3.100 . 4.400 3.912 3.847 3.993 . 0 0 "[ . 1 . 2]" 1
220 1 46 ALA MB 1 47 THR MG 3.700 . 5.600 3.899 2.581 4.698 . 0 0 "[ . 1 . 2]" 1
221 1 47 THR HA 1 47 THR HB 2.700 . 3.600 2.796 2.408 3.046 . 0 0 "[ . 1 . 2]" 1
222 1 47 THR HA 1 47 THR MG 2.800 . 3.800 2.509 2.172 3.225 . 0 0 "[ . 1 . 2]" 1
223 1 49 VAL HA 1 49 VAL HB 2.700 . 3.600 3.033 3.022 3.045 . 0 0 "[ . 1 . 2]" 1
224 1 49 VAL HA 1 49 VAL MG2 3.200 . 4.600 2.455 2.390 2.545 . 0 0 "[ . 1 . 2]" 1
225 1 49 VAL HA 1 49 VAL MG1 3.200 . 4.600 2.402 2.365 2.444 . 0 0 "[ . 1 . 2]" 1
226 1 50 LEU MD2 1 53 TYR QE 4.300 . 6.800 3.104 2.369 4.399 . 0 0 "[ . 1 . 2]" 1
227 1 50 LEU HB3 1 50 LEU MD1 3.200 . 4.600 2.346 2.326 2.368 . 0 0 "[ . 1 . 2]" 1
228 1 50 LEU HB3 1 50 LEU MD2 3.200 . 4.600 3.198 3.192 3.209 . 0 0 "[ . 1 . 2]" 1
229 1 50 LEU HA 1 50 LEU HG 3.100 . 4.400 3.857 3.818 3.886 . 0 0 "[ . 1 . 2]" 1
230 1 50 LEU HA 1 50 LEU MD2 3.200 . 4.600 2.209 2.129 2.252 . 0 0 "[ . 1 . 2]" 1
231 1 50 LEU HA 1 50 LEU HB2 2.700 . 3.600 2.466 2.436 2.498 . 0 0 "[ . 1 . 2]" 1
232 1 50 LEU HA 1 50 LEU MD1 3.600 . 5.400 3.329 3.229 3.386 . 0 0 "[ . 1 . 2]" 1
233 1 50 LEU MD2 1 53 TYR QD 4.650 . 7.500 3.930 3.345 4.684 . 0 0 "[ . 1 . 2]" 1
234 1 50 LEU MD1 1 52 MET HA 3.600 . 5.400 3.160 2.841 3.611 . 0 0 "[ . 1 . 2]" 1
235 1 50 LEU MD2 1 51 LEU HB3 3.600 . 5.400 5.283 5.073 5.419 0.019 18 0 "[ . 1 . 2]" 1
236 1 50 LEU MD1 1 53 TYR QE 4.300 . 6.800 2.814 2.248 4.268 . 0 0 "[ . 1 . 2]" 1
237 1 50 LEU HB2 1 50 LEU MD2 3.200 . 4.600 2.486 2.459 2.515 . 0 0 "[ . 1 . 2]" 1
238 1 50 LEU HB2 1 50 LEU MD1 3.200 . 4.600 3.214 3.204 3.222 . 0 0 "[ . 1 . 2]" 1
239 1 50 LEU MD1 1 53 TYR QD 4.650 . 7.500 3.772 3.233 4.828 . 0 0 "[ . 1 . 2]" 1
240 1 51 LEU QD 1 91 TRP HZ3 4.200 . 6.600 2.999 2.317 3.554 . 0 0 "[ . 1 . 2]" 1
241 1 51 LEU HA 1 51 LEU MD2 3.200 . 4.600 2.036 2.003 2.062 . 0 0 "[ . 1 . 2]" 1
242 1 51 LEU QD 1 91 TRP HH2 4.200 . 6.600 4.363 3.467 4.925 . 0 0 "[ . 1 . 2]" 1
243 1 51 LEU QD 1 62 ILE MD 4.300 . 6.800 3.917 3.423 4.293 . 0 0 "[ . 1 . 2]" 1
244 1 51 LEU QD 1 92 LEU QD 4.900 . 8.000 2.206 2.075 2.388 . 0 0 "[ . 1 . 2]" 1
245 1 51 LEU HB3 1 51 LEU MD2 3.200 . 4.600 2.384 2.322 2.454 . 0 0 "[ . 1 . 2]" 1
246 1 51 LEU HB3 1 51 LEU MD1 3.200 . 4.600 2.356 2.323 2.398 . 0 0 "[ . 1 . 2]" 1
247 1 51 LEU HB2 1 51 LEU MD1 3.200 . 4.600 2.325 2.277 2.374 . 0 0 "[ . 1 . 2]" 1
248 1 51 LEU HA 1 51 LEU MD1 3.800 . 5.800 3.838 3.815 3.850 . 0 0 "[ . 1 . 2]" 1
249 1 51 LEU HA 1 51 LEU HG 3.300 . 4.800 3.103 3.009 3.224 . 0 0 "[ . 1 . 2]" 1
250 1 52 MET HA 1 53 TYR QE 4.350 . 6.900 4.338 3.956 4.836 . 0 0 "[ . 1 . 2]" 1
251 1 52 MET ME 1 62 ILE HA 3.200 . 4.600 3.130 2.501 4.058 . 0 0 "[ . 1 . 2]" 1
252 1 52 MET HA 1 52 MET HG3 2.700 . 3.600 3.512 2.463 3.713 0.113 3 0 "[ . 1 . 2]" 1
253 1 52 MET ME 1 54 VAL MG2 3.700 . 5.600 3.652 2.074 4.778 . 0 0 "[ . 1 . 2]" 1
254 1 52 MET HA 1 52 MET ME 3.800 . 5.800 4.188 4.042 4.284 . 0 0 "[ . 1 . 2]" 1
255 1 52 MET HG3 1 62 ILE HA 3.100 . 4.400 4.452 4.368 4.493 0.093 1 0 "[ . 1 . 2]" 1
256 1 52 MET HA 1 52 MET HB3 2.700 . 3.600 2.487 2.416 2.780 . 0 0 "[ . 1 . 2]" 1
257 1 52 MET ME 1 62 ILE MG 3.700 . 5.600 3.663 2.860 4.605 . 0 0 "[ . 1 . 2]" 1
258 1 52 MET QB 1 62 ILE MD 4.250 . 6.700 3.664 1.964 4.004 . 0 0 "[ . 1 . 2]" 1
259 1 52 MET ME 1 52 MET HG3 3.600 . 5.400 3.180 2.468 3.424 . 0 0 "[ . 1 . 2]" 1
260 1 52 MET HA 1 53 TYR QD 4.150 . 6.500 3.076 2.640 3.747 . 0 0 "[ . 1 . 2]" 1
261 1 52 MET QB 1 62 ILE MG 4.050 . 6.300 4.139 2.411 4.845 . 0 0 "[ . 1 . 2]" 1
262 1 52 MET QB 1 54 VAL QG 4.650 . 7.500 3.660 2.787 4.056 . 0 0 "[ . 1 . 2]" 1
263 1 53 TYR QE 1 97 TYR QE 5.250 . 8.700 3.481 2.278 5.506 . 0 0 "[ . 1 . 2]" 1
264 1 53 TYR QR 1 97 TYR QB 4.750 . 7.700 3.168 2.731 3.820 . 0 0 "[ . 1 . 2]" 1
265 1 53 TYR HB2 1 53 TYR QE 4.150 . 6.500 4.424 4.351 4.458 . 0 0 "[ . 1 . 2]" 1
266 1 53 TYR HB3 1 53 TYR QE 4.350 . 6.900 4.408 4.384 4.430 . 0 0 "[ . 1 . 2]" 1
267 1 53 TYR QE 1 97 TYR QD 5.250 . 8.700 3.322 2.181 5.062 . 0 0 "[ . 1 . 2]" 1
268 1 53 TYR QD 1 97 TYR QD 5.250 . 8.700 3.735 3.156 4.997 . 0 0 "[ . 1 . 2]" 1
269 1 53 TYR HA 1 53 TYR QD 4.150 . 6.500 3.103 2.862 3.255 . 0 0 "[ . 1 . 2]" 1
270 1 53 TYR HA 1 54 VAL MG2 3.600 . 5.400 3.585 3.448 3.783 . 0 0 "[ . 1 . 2]" 1
271 1 54 VAL QG 1 71 VAL QG 5.300 . 8.800 2.377 1.796 3.079 0.004 19 0 "[ . 1 . 2]" 1
272 1 54 VAL QG 1 62 ILE MD 4.700 . 7.600 2.055 1.893 2.362 . 0 0 "[ . 1 . 2]" 1
273 1 54 VAL HA 1 54 VAL MG1 3.200 . 4.600 2.428 2.374 2.503 . 0 0 "[ . 1 . 2]" 1
274 1 54 VAL HA 1 54 VAL MG2 3.200 . 4.600 2.422 2.333 2.522 . 0 0 "[ . 1 . 2]" 1
275 1 54 VAL MG2 1 73 ALA MB 3.700 . 5.600 3.753 3.323 4.159 . 0 0 "[ . 1 . 2]" 1
276 1 54 VAL MG1 1 73 ALA MB 3.700 . 5.600 2.179 1.954 2.358 . 0 0 "[ . 1 . 2]" 1
277 1 54 VAL HB 1 73 ALA MB 3.600 . 5.400 2.887 2.421 3.509 . 0 0 "[ . 1 . 2]" 1
278 1 55 ARG HB3 1 55 ARG HG3 2.700 . 3.600 2.616 2.389 2.989 . 0 0 "[ . 1 . 2]" 1
279 1 55 ARG HA 1 55 ARG QG 3.550 . 5.300 2.764 2.374 3.064 . 0 0 "[ . 1 . 2]" 1
280 1 55 ARG HA 1 55 ARG QD 3.550 . 5.300 2.627 2.050 3.983 . 0 0 "[ . 1 . 2]" 1
281 1 55 ARG HB3 1 58 THR MG 3.200 . 4.600 2.948 2.486 3.633 . 0 0 "[ . 1 . 2]" 1
282 1 55 ARG QD 1 58 THR MG 4.050 . 6.300 4.380 3.206 4.967 . 0 0 "[ . 1 . 2]" 1
283 1 55 ARG HG3 1 58 THR MG 3.600 . 5.400 3.787 2.802 5.418 0.018 7 0 "[ . 1 . 2]" 1
284 1 56 ILE MD 1 76 GLN HG2 3.800 . 5.800 4.781 2.442 5.855 0.055 16 0 "[ . 1 . 2]" 1
285 1 56 ILE HA 1 56 ILE MD 3.600 . 5.400 2.767 1.998 3.835 . 0 0 "[ . 1 . 2]" 1
286 1 56 ILE HA 1 56 ILE HB 2.700 . 3.600 3.036 3.025 3.051 . 0 0 "[ . 1 . 2]" 1
287 1 56 ILE HA 1 73 ALA MB 3.200 . 4.600 2.262 1.815 3.101 . 0 0 "[ . 1 . 2]" 1
288 1 56 ILE HA 1 56 ILE MG 3.200 . 4.600 2.489 2.446 2.539 . 0 0 "[ . 1 . 2]" 1
289 1 56 ILE HA 1 56 ILE HG12 2.700 . 3.600 2.722 2.412 2.913 . 0 0 "[ . 1 . 2]" 1
290 1 56 ILE MD 1 96 PRO HA 3.800 . 5.800 3.741 3.026 4.487 . 0 0 "[ . 1 . 2]" 1
291 1 56 ILE MD 1 76 GLN HA 3.200 . 4.600 2.159 1.819 2.949 . 0 0 "[ . 1 . 2]" 1
292 1 56 ILE MG 1 76 GLN HA 3.600 . 5.400 3.149 2.143 4.638 . 0 0 "[ . 1 . 2]" 1
293 1 56 ILE MD 1 76 GLN HG3 3.800 . 5.800 4.780 2.794 5.578 . 0 0 "[ . 1 . 2]" 1
294 1 56 ILE MD 1 75 ASP HA 3.200 . 4.600 4.038 3.071 4.655 0.055 10 0 "[ . 1 . 2]" 1
295 1 56 ILE MG 1 75 ASP HA 2.800 . 3.800 3.202 2.394 3.863 0.063 4 0 "[ . 1 . 2]" 1
296 1 56 ILE MD 1 56 ILE MG 3.700 . 5.600 1.950 1.850 2.015 . 0 0 "[ . 1 . 2]" 1
297 1 56 ILE HG12 1 56 ILE MG 3.200 . 4.600 2.891 2.377 3.202 . 0 0 "[ . 1 . 2]" 1
298 1 56 ILE MG 1 73 ALA MB 3.700 . 5.600 3.488 2.590 4.348 . 0 0 "[ . 1 . 2]" 1
299 1 56 ILE MD 1 76 GLN HB2 3.600 . 5.400 4.089 3.054 5.044 . 0 0 "[ . 1 . 2]" 1
300 1 56 ILE MD 1 76 GLN HB3 3.600 . 5.400 3.629 2.515 4.402 . 0 0 "[ . 1 . 2]" 1
301 1 56 ILE MD 1 96 PRO HB3 3.800 . 5.800 4.262 3.321 5.235 . 0 0 "[ . 1 . 2]" 1
302 1 56 ILE MD 1 75 ASP QB 4.250 . 6.700 4.798 4.364 5.359 . 0 0 "[ . 1 . 2]" 1
303 1 56 ILE MG 1 75 ASP QB 4.050 . 6.300 4.541 4.041 5.010 . 0 0 "[ . 1 . 2]" 1
304 1 58 THR HA 1 58 THR MG 2.800 . 3.800 2.345 2.166 2.416 . 0 0 "[ . 1 . 2]" 1
305 1 58 THR HA 1 58 THR HB 2.300 . 2.800 2.512 2.432 2.893 0.093 3 0 "[ . 1 . 2]" 1
306 1 59 THR MG 1 70 GLU HA 3.800 . 5.800 5.624 5.285 5.811 0.011 4 0 "[ . 1 . 2]" 1
307 1 59 THR MG 1 71 VAL MG2 4.300 . 6.800 4.619 4.342 4.798 . 0 0 "[ . 1 . 2]" 1
308 1 59 THR HA 1 71 VAL QG 4.200 . 6.600 3.687 3.391 4.008 . 0 0 "[ . 1 . 2]" 1
309 1 59 THR HB 1 83 THR MG 3.200 . 4.600 3.209 2.705 3.716 . 0 0 "[ . 1 . 2]" 1
310 1 59 THR HB 1 70 GLU QG 3.550 . 5.300 2.935 2.118 3.355 . 0 0 "[ . 1 . 2]" 1
311 1 59 THR HA 1 59 THR HB 2.700 . 3.600 2.451 2.376 2.502 . 0 0 "[ . 1 . 2]" 1
312 1 59 THR HA 1 59 THR MG 3.200 . 4.600 2.349 2.275 2.431 . 0 0 "[ . 1 . 2]" 1
313 1 59 THR HA 1 72 GLU HA 3.100 . 4.400 2.105 1.912 2.485 . 0 0 "[ . 1 . 2]" 1
314 1 59 THR HA 1 83 THR MG 3.600 . 5.400 4.433 3.850 5.179 . 0 0 "[ . 1 . 2]" 1
315 1 59 THR MG 1 83 THR HA 3.600 . 5.400 4.470 3.772 5.092 . 0 0 "[ . 1 . 2]" 1
316 1 59 THR MG 1 72 GLU HB2 3.600 . 5.400 2.156 1.914 2.789 . 0 0 "[ . 1 . 2]" 1
317 1 59 THR HB 1 72 GLU HA 3.100 . 4.400 3.703 3.386 3.918 . 0 0 "[ . 1 . 2]" 1
318 1 59 THR MG 1 72 GLU HB3 3.600 . 5.400 3.384 1.874 3.795 . 0 0 "[ . 1 . 2]" 1
319 1 59 THR MG 1 72 GLU QG 4.050 . 6.300 2.442 2.040 3.803 . 0 0 "[ . 1 . 2]" 1
320 1 59 THR HA 1 72 GLU HB2 3.300 . 4.800 3.989 3.451 4.596 . 0 0 "[ . 1 . 2]" 1
321 1 59 THR MG 1 83 THR HB 3.600 . 5.400 4.526 3.968 5.410 0.010 12 0 "[ . 1 . 2]" 1
322 1 61 THR HA 1 70 GLU HA 2.700 . 3.600 2.216 1.934 2.368 . 0 0 "[ . 1 . 2]" 1
323 1 61 THR HA 1 71 VAL MG1 3.800 . 5.800 4.403 3.993 4.968 . 0 0 "[ . 1 . 2]" 1
324 1 61 THR HA 1 71 VAL MG2 3.600 . 5.400 4.062 3.802 4.380 . 0 0 "[ . 1 . 2]" 1
325 1 61 THR HA 1 70 GLU HB2 3.100 . 4.400 3.921 3.259 4.311 . 0 0 "[ . 1 . 2]" 1
326 1 61 THR HA 1 61 THR MG 3.200 . 4.600 2.304 2.234 2.378 . 0 0 "[ . 1 . 2]" 1
327 1 61 THR MG 1 68 GLU HA 3.600 . 5.400 3.294 2.907 3.611 . 0 0 "[ . 1 . 2]" 1
328 1 62 ILE MD 1 71 VAL MG2 4.100 . 6.400 2.323 2.129 2.516 . 0 0 "[ . 1 . 2]" 1
329 1 62 ILE HA 1 62 ILE HB 2.700 . 3.600 3.009 2.990 3.017 . 0 0 "[ . 1 . 2]" 1
330 1 62 ILE HB 1 62 ILE HG13 2.700 . 3.600 2.447 2.433 2.468 . 0 0 "[ . 1 . 2]" 1
331 1 62 ILE MD 1 71 VAL QG 4.300 . 6.800 2.284 2.106 2.453 . 0 0 "[ . 1 . 2]" 1
332 1 62 ILE MD 1 62 ILE MG 3.700 . 5.600 2.030 1.993 2.063 . 0 0 "[ . 1 . 2]" 1
333 1 62 ILE HA 1 62 ILE MG 3.200 . 4.600 2.318 2.291 2.345 . 0 0 "[ . 1 . 2]" 1
334 1 62 ILE HG13 1 62 ILE MG 3.200 . 4.600 2.369 2.336 2.396 . 0 0 "[ . 1 . 2]" 1
335 1 62 ILE HA 1 62 ILE HG13 3.100 . 4.400 3.924 3.879 3.968 . 0 0 "[ . 1 . 2]" 1
336 1 62 ILE HA 1 62 ILE MD 3.600 . 5.400 2.368 2.284 2.450 . 0 0 "[ . 1 . 2]" 1
337 1 62 ILE HA 1 62 ILE HG12 3.100 . 4.400 3.314 3.230 3.403 . 0 0 "[ . 1 . 2]" 1
338 1 62 ILE MG 1 69 PHE QD 4.650 . 7.500 3.072 2.698 3.385 . 0 0 "[ . 1 . 2]" 1
339 1 62 ILE HG12 1 62 ILE MG 3.200 . 4.600 3.210 3.201 3.221 . 0 0 "[ . 1 . 2]" 1
340 1 62 ILE HB 1 69 PHE QD 4.150 . 6.500 2.419 1.997 2.888 . 0 0 "[ . 1 . 2]" 1
341 1 62 ILE MD 1 69 PHE QD 4.850 . 7.900 5.095 4.737 5.440 . 0 0 "[ . 1 . 2]" 1
342 1 62 ILE QG 1 69 PHE QR 4.750 . 7.700 3.947 3.529 4.352 . 0 0 "[ . 1 . 2]" 1
343 1 62 ILE MG 1 64 ALA MB 4.100 . 6.400 2.835 2.617 3.063 . 0 0 "[ . 1 . 2]" 1
344 1 62 ILE HB 1 62 ILE MD 3.200 . 4.600 3.251 3.240 3.259 . 0 0 "[ . 1 . 2]" 1
345 1 62 ILE HB 1 62 ILE HG12 2.700 . 3.600 2.470 2.457 2.486 . 0 0 "[ . 1 . 2]" 1
346 1 62 ILE HB 1 71 VAL MG1 3.600 . 5.400 3.524 3.217 3.965 . 0 0 "[ . 1 . 2]" 1
347 1 62 ILE HG12 1 69 PHE QD 4.150 . 6.500 4.636 4.218 5.125 . 0 0 "[ . 1 . 2]" 1
348 1 62 ILE HG12 1 69 PHE HB2 3.100 . 4.400 3.302 3.125 3.689 . 0 0 "[ . 1 . 2]" 1
349 1 62 ILE HG12 1 69 PHE HB3 3.300 . 4.800 4.481 4.258 4.802 0.002 6 0 "[ . 1 . 2]" 1
350 1 63 THR HA 1 69 PHE QE 4.350 . 6.900 4.326 4.000 4.733 . 0 0 "[ . 1 . 2]" 1
351 1 63 THR HA 1 68 GLU HG3 3.100 . 4.400 4.329 3.771 4.494 0.094 17 0 "[ . 1 . 2]" 1
352 1 63 THR HA 1 63 THR HB 2.700 . 3.600 3.030 3.020 3.043 . 0 0 "[ . 1 . 2]" 1
353 1 63 THR HA 1 63 THR MG 3.200 . 4.600 2.337 2.280 2.392 . 0 0 "[ . 1 . 2]" 1
354 1 63 THR HA 1 68 GLU HA 2.700 . 3.600 2.356 2.109 2.588 . 0 0 "[ . 1 . 2]" 1
355 1 63 THR HA 1 69 PHE QD 4.150 . 6.500 3.566 3.189 3.996 . 0 0 "[ . 1 . 2]" 1
356 1 63 THR HB 1 68 GLU HA 3.300 . 4.800 4.821 4.650 4.890 0.090 1 0 "[ . 1 . 2]" 1
357 1 63 THR MG 1 68 GLU HA 3.600 . 5.400 3.058 2.884 3.285 . 0 0 "[ . 1 . 2]" 1
358 1 64 ALA MB 1 91 TRP HZ3 3.200 . 4.600 2.246 1.880 3.022 . 0 0 "[ . 1 . 2]" 1
359 1 64 ALA MB 1 69 PHE QE 4.300 . 6.800 2.167 1.976 2.402 . 0 0 "[ . 1 . 2]" 1
360 1 64 ALA MB 1 69 PHE QD 4.250 . 6.700 3.373 3.045 3.780 . 0 0 "[ . 1 . 2]" 1
361 1 64 ALA MB 1 91 TRP HH2 3.200 . 4.600 2.135 1.927 2.461 . 0 0 "[ . 1 . 2]" 1
362 1 65 ARG QG 1 91 TRP HZ3 3.750 . 5.700 3.738 2.984 4.893 . 0 0 "[ . 1 . 2]" 1
363 1 65 ARG QB 1 91 TRP HH2 3.750 . 5.700 3.534 2.837 4.430 . 0 0 "[ . 1 . 2]" 1
364 1 65 ARG HA 1 65 ARG HD2 3.100 . 4.400 4.294 4.094 4.533 0.133 1 0 "[ . 1 . 2]" 1
365 1 65 ARG HA 1 65 ARG HG3 3.100 . 4.400 3.172 2.905 3.412 . 0 0 "[ . 1 . 2]" 1
366 1 65 ARG HA 1 65 ARG HB3 2.700 . 3.600 2.458 2.410 2.543 . 0 0 "[ . 1 . 2]" 1
367 1 65 ARG HA 1 65 ARG HG2 2.700 . 3.600 2.501 2.380 2.585 . 0 0 "[ . 1 . 2]" 1
368 1 65 ARG HA 1 65 ARG HD3 3.300 . 4.800 4.671 4.232 4.879 0.079 16 0 "[ . 1 . 2]" 1
369 1 65 ARG QG 1 91 TRP HH2 3.750 . 5.700 3.312 2.622 4.295 . 0 0 "[ . 1 . 2]" 1
370 1 65 ARG HD3 1 65 ARG HG2 2.700 . 3.600 2.469 2.349 3.008 . 0 0 "[ . 1 . 2]" 1
371 1 65 ARG HB2 1 67 HIS HD2 3.100 . 4.400 2.361 1.949 3.483 . 0 0 "[ . 1 . 2]" 1
372 1 65 ARG QB 1 91 TRP HZ2 3.750 . 5.700 3.946 3.053 4.722 . 0 0 "[ . 1 . 2]" 1
373 1 65 ARG HB2 1 65 ARG HG2 2.700 . 3.600 2.991 2.966 3.015 . 0 0 "[ . 1 . 2]" 1
374 1 65 ARG HB3 1 65 ARG HD3 3.100 . 4.400 3.343 2.468 3.674 . 0 0 "[ . 1 . 2]" 1
375 1 67 HIS HB3 1 69 PHE HZ 3.100 . 4.400 3.290 2.893 3.673 . 0 0 "[ . 1 . 2]" 1
376 1 67 HIS HB3 1 69 PHE QE 4.150 . 6.500 3.377 2.808 3.690 . 0 0 "[ . 1 . 2]" 1
377 1 67 HIS HB3 1 67 HIS HD2 3.100 . 4.400 3.900 3.711 3.963 . 0 0 "[ . 1 . 2]" 1
378 1 67 HIS HB2 1 69 PHE QE 4.150 . 6.500 2.749 2.412 3.108 . 0 0 "[ . 1 . 2]" 1
379 1 67 HIS HA 1 67 HIS HB3 2.700 . 3.600 2.479 2.397 2.537 . 0 0 "[ . 1 . 2]" 1
380 1 67 HIS HB2 1 69 PHE HZ 3.100 . 4.400 2.570 2.448 2.725 . 0 0 "[ . 1 . 2]" 1
381 1 68 GLU HA 1 69 PHE QE 4.350 . 6.900 4.944 4.539 5.184 . 0 0 "[ . 1 . 2]" 1
382 1 68 GLU HB3 1 68 GLU HG2 2.700 . 3.600 2.401 2.338 2.450 . 0 0 "[ . 1 . 2]" 1
383 1 68 GLU HA 1 69 PHE QD 4.150 . 6.500 3.886 3.633 4.167 . 0 0 "[ . 1 . 2]" 1
384 1 68 GLU HA 1 68 GLU HB2 2.700 . 3.600 3.000 2.709 3.039 . 0 0 "[ . 1 . 2]" 1
385 1 68 GLU HA 1 68 GLU HB3 2.700 . 3.600 2.455 2.247 2.543 . 0 0 "[ . 1 . 2]" 1
386 1 68 GLU HA 1 68 GLU HG3 3.100 . 4.400 2.995 2.373 3.411 . 0 0 "[ . 1 . 2]" 1
387 1 68 GLU HA 1 68 GLU HG2 3.100 . 4.400 2.776 2.501 4.189 . 0 0 "[ . 1 . 2]" 1
388 1 69 PHE HZ 1 89 PRO HG3 3.100 . 4.400 3.881 2.979 4.403 0.003 13 0 "[ . 1 . 2]" 1
389 1 69 PHE QE 1 88 ALA HA 4.350 . 6.900 5.327 4.252 6.454 . 0 0 "[ . 1 . 2]" 1
390 1 69 PHE QE 1 88 ALA MB 4.850 . 7.900 5.387 3.991 6.436 . 0 0 "[ . 1 . 2]" 1
391 1 69 PHE QE 1 92 LEU MD1 4.900 . 8.000 4.110 2.939 4.830 . 0 0 "[ . 1 . 2]" 1
392 1 69 PHE QE 1 92 LEU MD2 4.850 . 7.900 3.941 3.162 4.851 . 0 0 "[ . 1 . 2]" 1
393 1 69 PHE QD 1 89 PRO HD2 4.150 . 6.500 4.174 3.713 4.980 . 0 0 "[ . 1 . 2]" 1
394 1 69 PHE QD 1 88 ALA MB 4.850 . 7.900 4.772 3.485 5.716 . 0 0 "[ . 1 . 2]" 1
395 1 69 PHE QE 1 89 PRO HD3 4.150 . 6.500 3.588 2.899 4.744 . 0 0 "[ . 1 . 2]" 1
396 1 69 PHE QD 1 71 VAL MG1 4.650 . 7.500 4.032 3.696 4.321 . 0 0 "[ . 1 . 2]" 1
397 1 69 PHE QD 1 89 PRO HD3 4.350 . 6.900 3.760 3.322 4.462 . 0 0 "[ . 1 . 2]" 1
398 1 69 PHE HA 1 69 PHE QD 4.150 . 6.500 2.803 2.600 2.935 . 0 0 "[ . 1 . 2]" 1
399 1 69 PHE QD 1 82 LEU MD1 4.250 . 6.700 3.431 2.413 4.342 . 0 0 "[ . 1 . 2]" 1
400 1 69 PHE HA 1 82 LEU MD1 3.800 . 5.800 4.277 3.266 5.251 . 0 0 "[ . 1 . 2]" 1
401 1 69 PHE HA 1 69 PHE HB2 2.700 . 3.600 3.020 3.011 3.032 . 0 0 "[ . 1 . 2]" 1
402 1 69 PHE HA 1 82 LEU MD2 3.600 . 5.400 3.080 2.168 4.063 . 0 0 "[ . 1 . 2]" 1
403 1 69 PHE HA 1 71 VAL MG1 3.800 . 5.800 4.081 3.826 4.354 . 0 0 "[ . 1 . 2]" 1
404 1 69 PHE QD 1 88 ALA HA 4.350 . 6.900 4.675 4.092 5.573 . 0 0 "[ . 1 . 2]" 1
405 1 69 PHE QE 1 82 LEU MD2 4.650 . 7.500 4.493 3.778 5.434 . 0 0 "[ . 1 . 2]" 1
406 1 69 PHE HB2 1 69 PHE QE 4.150 . 6.500 4.362 4.338 4.383 . 0 0 "[ . 1 . 2]" 1
407 1 69 PHE QD 1 82 LEU MD2 4.250 . 6.700 2.718 1.929 3.754 . 0 0 "[ . 1 . 2]" 1
408 1 69 PHE QD 1 92 LEU MD2 4.650 . 7.500 3.360 2.663 4.024 . 0 0 "[ . 1 . 2]" 1
409 1 69 PHE HB2 1 82 LEU MD2 3.600 . 5.400 3.696 3.465 4.152 . 0 0 "[ . 1 . 2]" 1
410 1 69 PHE HB2 1 71 VAL MG1 3.600 . 5.400 2.750 2.348 3.118 . 0 0 "[ . 1 . 2]" 1
411 1 69 PHE QD 1 92 LEU MD1 4.650 . 7.500 3.960 3.272 4.450 . 0 0 "[ . 1 . 2]" 1
412 1 69 PHE QE 1 82 LEU MD1 4.700 . 7.600 4.846 3.869 5.692 . 0 0 "[ . 1 . 2]" 1
413 1 69 PHE HB3 1 69 PHE QE 4.350 . 6.900 4.429 4.406 4.453 . 0 0 "[ . 1 . 2]" 1
414 1 69 PHE HB3 1 82 LEU MD1 3.600 . 5.400 3.358 2.155 4.258 . 0 0 "[ . 1 . 2]" 1
415 1 69 PHE HB3 1 82 LEU MD2 3.200 . 4.600 2.286 1.977 2.773 . 0 0 "[ . 1 . 2]" 1
416 1 69 PHE HB3 1 71 VAL MG1 3.600 . 5.400 2.582 2.279 2.974 . 0 0 "[ . 1 . 2]" 1
417 1 69 PHE QE 1 89 PRO HD2 4.150 . 6.500 4.202 3.563 5.411 . 0 0 "[ . 1 . 2]" 1
418 1 70 GLU HA 1 71 VAL MG1 3.600 . 5.400 3.659 3.463 3.848 . 0 0 "[ . 1 . 2]" 1
419 1 70 GLU HA 1 83 THR MG 3.800 . 5.800 4.525 3.976 5.184 . 0 0 "[ . 1 . 2]" 1
420 1 70 GLU HA 1 71 VAL MG2 3.600 . 5.400 3.825 3.611 3.982 . 0 0 "[ . 1 . 2]" 1
421 1 70 GLU HB3 1 83 THR MG 3.600 . 5.400 3.357 2.950 4.215 . 0 0 "[ . 1 . 2]" 1
422 1 70 GLU HB3 1 70 GLU HG3 2.300 . 2.800 2.644 2.454 2.944 0.144 5 0 "[ . 1 . 2]" 1
423 1 70 GLU HA 1 70 GLU QG 3.150 . 4.500 2.695 2.284 2.952 . 0 0 "[ . 1 . 2]" 1
424 1 71 VAL MG1 1 82 LEU HA 3.600 . 5.400 3.334 2.167 3.768 . 0 0 "[ . 1 . 2]" 1
425 1 71 VAL HA 1 82 LEU HB2 3.100 . 4.400 4.532 4.405 4.641 0.241 4 0 "[ . 1 . 2]" 1
426 1 71 VAL HA 1 82 LEU HG 3.300 . 4.800 3.504 2.226 4.681 . 0 0 "[ . 1 . 2]" 1
427 1 71 VAL HA 1 83 THR MG 3.600 . 5.400 3.688 2.812 4.236 . 0 0 "[ . 1 . 2]" 1
428 1 71 VAL HA 1 82 LEU HB3 3.300 . 4.800 3.652 3.291 3.990 . 0 0 "[ . 1 . 2]" 1
429 1 71 VAL HA 1 82 LEU MD2 3.600 . 5.400 3.317 2.138 4.541 . 0 0 "[ . 1 . 2]" 1
430 1 71 VAL HA 1 71 VAL MG1 3.200 . 4.600 2.447 2.356 2.530 . 0 0 "[ . 1 . 2]" 1
431 1 71 VAL HA 1 71 VAL HB 2.700 . 3.600 2.423 2.367 2.485 . 0 0 "[ . 1 . 2]" 1
432 1 71 VAL HA 1 82 LEU MD1 3.600 . 5.400 3.957 2.907 5.245 . 0 0 "[ . 1 . 2]" 1
433 1 71 VAL HA 1 82 LEU HA 2.700 . 3.600 1.886 1.752 2.137 0.048 4 0 "[ . 1 . 2]" 1
434 1 71 VAL MG2 1 82 LEU HA 3.600 . 5.400 4.706 4.268 4.939 . 0 0 "[ . 1 . 2]" 1
435 1 71 VAL QG 1 82 LEU QD 4.950 . 8.100 1.958 1.800 2.202 . 0 0 "[ . 1 . 2]" 1
436 1 72 GLU HB2 1 83 THR HA 3.300 . 4.800 4.105 3.322 4.838 0.038 4 0 "[ . 1 . 2]" 1
437 1 72 GLU QG 1 83 THR MG 4.050 . 6.300 4.074 3.055 4.912 . 0 0 "[ . 1 . 2]" 1
438 1 72 GLU HB2 1 83 THR MG 3.600 . 5.400 2.871 2.075 3.951 . 0 0 "[ . 1 . 2]" 1
439 1 72 GLU HA 1 72 GLU HG3 3.300 . 4.800 2.674 2.454 3.747 . 0 0 "[ . 1 . 2]" 1
440 1 72 GLU HB3 1 83 THR MG 3.600 . 5.400 3.812 2.071 4.684 . 0 0 "[ . 1 . 2]" 1
441 1 72 GLU HB2 1 72 GLU HG3 2.700 . 3.600 2.449 2.342 2.519 . 0 0 "[ . 1 . 2]" 1
442 1 72 GLU HB3 1 72 GLU HG3 2.700 . 3.600 3.006 2.963 3.018 . 0 0 "[ . 1 . 2]" 1
443 1 74 LYS HA 1 74 LYS QE 3.750 . 5.700 3.711 1.872 4.584 . 0 0 "[ . 1 . 2]" 1
444 1 74 LYS HA 1 74 LYS HG2 2.700 . 3.600 3.244 2.520 3.676 0.076 1 0 "[ . 1 . 2]" 1
445 1 74 LYS HA 1 74 LYS HG3 3.100 . 4.400 3.701 3.283 3.930 . 0 0 "[ . 1 . 2]" 1
446 1 74 LYS HB2 1 74 LYS HG2 2.700 . 3.600 2.772 2.405 2.991 . 0 0 "[ . 1 . 2]" 1
447 1 74 LYS HB2 1 74 LYS HE3 3.100 . 4.400 3.362 1.975 4.523 0.123 19 0 "[ . 1 . 2]" 1
448 1 74 LYS HB3 1 74 LYS HG3 2.700 . 3.600 2.777 2.391 3.017 . 0 0 "[ . 1 . 2]" 1
449 1 74 LYS HB2 1 74 LYS HG3 2.700 . 3.600 2.369 2.163 2.521 . 0 0 "[ . 1 . 2]" 1
450 1 74 LYS HE2 1 74 LYS HG3 3.100 . 4.400 3.155 2.489 4.260 . 0 0 "[ . 1 . 2]" 1
451 1 74 LYS HE2 1 74 LYS HG2 3.300 . 4.800 3.504 2.525 4.216 . 0 0 "[ . 1 . 2]" 1
452 1 74 LYS HD3 1 74 LYS HE2 2.700 . 3.600 2.464 2.276 3.032 . 0 0 "[ . 1 . 2]" 1
453 1 74 LYS HE3 1 74 LYS HG2 3.100 . 4.400 3.308 2.308 3.756 . 0 0 "[ . 1 . 2]" 1
454 1 75 ASP HA 1 75 ASP HB3 2.700 . 3.600 2.945 2.520 3.033 . 0 0 "[ . 1 . 2]" 1
455 1 75 ASP HA 1 75 ASP HB2 2.700 . 3.600 2.467 2.357 3.024 . 0 0 "[ . 1 . 2]" 1
456 1 76 GLN HA 1 76 GLN QG 3.550 . 5.300 3.202 2.348 3.509 . 0 0 "[ . 1 . 2]" 1
457 1 76 GLN HA 1 76 GLN HB3 2.700 . 3.600 2.382 2.275 2.495 . 0 0 "[ . 1 . 2]" 1
458 1 76 GLN HA 1 76 GLN HB2 2.700 . 3.600 2.598 2.406 3.007 . 0 0 "[ . 1 . 2]" 1
459 1 77 ASN HA 1 77 ASN HB3 2.700 . 3.600 2.782 2.478 3.052 . 0 0 "[ . 1 . 2]" 1
460 1 77 ASN HA 1 77 ASN HB2 2.700 . 3.600 2.767 2.419 3.038 . 0 0 "[ . 1 . 2]" 1
461 1 78 CYS HA 1 78 CYS HB2 2.700 . 3.600 3.006 2.967 3.020 . 0 0 "[ . 1 . 2]" 1
462 1 78 CYS HA 1 78 CYS HB3 2.700 . 3.600 2.515 2.429 2.596 . 0 0 "[ . 1 . 2]" 1
463 1 78 CYS HB2 1 94 ALA MB 3.200 . 4.600 3.298 2.811 3.943 . 0 0 "[ . 1 . 2]" 1
464 1 78 CYS HB3 1 95 GLU HA 3.300 . 4.800 4.462 3.467 4.840 0.040 15 0 "[ . 1 . 2]" 1
465 1 78 CYS HB2 1 95 GLU HA 3.300 . 4.800 3.729 2.775 4.670 . 0 0 "[ . 1 . 2]" 1
466 1 78 CYS HB3 1 94 ALA MB 3.200 . 4.600 2.246 2.019 2.684 . 0 0 "[ . 1 . 2]" 1
467 1 79 LYS HA 1 79 LYS HD2 3.100 . 4.400 2.429 1.987 2.804 . 0 0 "[ . 1 . 2]" 1
468 1 79 LYS HA 1 79 LYS HB2 2.300 . 2.800 2.733 2.533 2.915 0.115 17 0 "[ . 1 . 2]" 1
469 1 79 LYS HA 1 79 LYS HE3 3.300 . 4.800 1.803 1.735 1.915 0.065 7 0 "[ . 1 . 2]" 1
470 1 79 LYS HB3 1 79 LYS HG3 2.700 . 3.600 2.388 2.347 2.420 . 0 0 "[ . 1 . 2]" 1
471 1 79 LYS HB2 1 79 LYS HE3 2.700 . 3.600 3.675 3.612 3.753 0.153 20 0 "[ . 1 . 2]" 1
472 1 79 LYS HD2 1 79 LYS HG3 2.700 . 3.600 2.877 2.797 2.936 . 0 0 "[ . 1 . 2]" 1
473 1 79 LYS HB2 1 79 LYS HG2 2.700 . 3.600 2.369 2.310 2.419 . 0 0 "[ . 1 . 2]" 1
474 1 79 LYS HB2 1 79 LYS HD2 2.300 . 2.800 2.338 2.209 2.504 . 0 0 "[ . 1 . 2]" 1
475 1 79 LYS HB2 1 79 LYS HG3 2.700 . 3.600 2.990 2.953 3.009 . 0 0 "[ . 1 . 2]" 1
476 1 79 LYS HB3 1 79 LYS HE3 2.700 . 3.600 3.705 3.642 3.770 0.170 19 0 "[ . 1 . 2]" 1
477 1 79 LYS HE3 1 79 LYS HG2 3.100 . 4.400 3.562 3.492 3.625 . 0 0 "[ . 1 . 2]" 1
478 1 79 LYS HE3 1 79 LYS HG3 3.100 . 4.400 2.386 2.244 2.560 . 0 0 "[ . 1 . 2]" 1
479 1 80 VAL HA 1 80 VAL HB 2.700 . 3.600 2.383 2.351 2.419 . 0 0 "[ . 1 . 2]" 1
480 1 80 VAL HA 1 80 VAL MG2 3.200 . 4.600 2.437 2.365 2.507 . 0 0 "[ . 1 . 2]" 1
481 1 80 VAL HA 1 80 VAL MG1 3.200 . 4.600 3.225 3.201 3.246 . 0 0 "[ . 1 . 2]" 1
482 1 80 VAL QG 1 92 LEU QB 4.650 . 7.500 3.523 2.764 4.183 . 0 0 "[ . 1 . 2]" 1
483 1 80 VAL QG 1 92 LEU QD 5.350 . 8.900 2.480 2.009 3.020 . 0 0 "[ . 1 . 2]" 1
484 1 80 VAL MG2 1 88 ALA MB 3.700 . 5.600 2.027 1.864 2.472 . 0 0 "[ . 1 . 2]" 1
485 1 80 VAL MG2 1 92 LEU HG 3.600 . 5.400 3.566 2.670 4.444 . 0 0 "[ . 1 . 2]" 1
486 1 80 VAL MG2 1 82 LEU HG 3.600 . 5.400 4.072 3.551 4.575 . 0 0 "[ . 1 . 2]" 1
487 1 81 ILE MG 1 83 THR HA 3.600 . 5.400 4.294 3.697 4.813 . 0 0 "[ . 1 . 2]" 1
488 1 81 ILE HA 1 81 ILE MD 3.200 . 4.600 3.487 2.995 3.908 . 0 0 "[ . 1 . 2]" 1
489 1 81 ILE HA 1 81 ILE HG13 2.700 . 3.600 2.668 2.390 2.964 . 0 0 "[ . 1 . 2]" 1
490 1 81 ILE HA 1 81 ILE MG 2.800 . 3.800 2.485 2.394 2.575 . 0 0 "[ . 1 . 2]" 1
491 1 81 ILE HA 1 81 ILE HG12 2.700 . 3.600 3.119 2.515 3.680 0.080 9 0 "[ . 1 . 2]" 1
492 1 81 ILE HB 1 81 ILE HG12 2.700 . 3.600 2.797 2.559 3.023 . 0 0 "[ . 1 . 2]" 1
493 1 81 ILE HB 1 81 ILE MD 3.200 . 4.600 2.392 2.318 2.447 . 0 0 "[ . 1 . 2]" 1
494 1 82 LEU QD 1 89 PRO QD 4.700 . 7.600 2.979 2.083 3.886 . 0 0 "[ . 1 . 2]" 1
495 1 82 LEU HA 1 82 LEU MD1 3.200 . 4.600 3.383 2.640 3.921 . 0 0 "[ . 1 . 2]" 1
496 1 82 LEU HA 1 82 LEU HG 3.100 . 4.400 2.886 2.542 3.378 . 0 0 "[ . 1 . 2]" 1
497 1 82 LEU HA 1 82 LEU HB2 2.700 . 3.600 2.968 2.914 3.011 . 0 0 "[ . 1 . 2]" 1
498 1 82 LEU HA 1 82 LEU HB3 2.700 . 3.600 2.470 2.330 2.607 . 0 0 "[ . 1 . 2]" 1
499 1 82 LEU HA 1 82 LEU MD2 3.200 . 4.600 3.040 2.204 3.862 . 0 0 "[ . 1 . 2]" 1
500 1 82 LEU HA 1 83 THR MG 3.600 . 5.400 3.616 3.437 3.811 . 0 0 "[ . 1 . 2]" 1
501 1 82 LEU HG 1 88 ALA MB 3.200 . 4.600 3.970 2.537 4.620 0.020 8 0 "[ . 1 . 2]" 1
502 1 82 LEU HB3 1 82 LEU MD2 3.200 . 4.600 2.332 2.245 2.448 . 0 0 "[ . 1 . 2]" 1
503 1 82 LEU MD2 1 88 ALA MB 3.700 . 5.600 3.295 2.085 4.178 . 0 0 "[ . 1 . 2]" 1
504 1 82 LEU MD1 1 88 ALA MB 3.700 . 5.600 3.031 1.960 4.643 . 0 0 "[ . 1 . 2]" 1
505 1 82 LEU HB3 1 82 LEU MD1 3.200 . 4.600 2.810 2.348 3.233 . 0 0 "[ . 1 . 2]" 1
506 1 82 LEU HB2 1 82 LEU MD2 3.200 . 4.600 2.804 2.310 3.196 . 0 0 "[ . 1 . 2]" 1
507 1 83 THR HA 1 83 THR MG 2.800 . 3.800 2.262 2.216 2.374 . 0 0 "[ . 1 . 2]" 1
508 1 83 THR HA 1 83 THR HB 2.300 . 2.800 2.549 2.502 2.614 . 0 0 "[ . 1 . 2]" 1
509 1 84 ASN HA 1 84 ASN HB3 2.700 . 3.600 2.487 2.372 2.547 . 0 0 "[ . 1 . 2]" 1
510 1 84 ASN HA 1 84 ASN HB2 2.700 . 3.600 2.939 2.350 3.038 . 0 0 "[ . 1 . 2]" 1
511 1 86 LYS HD3 1 86 LYS HG2 2.700 . 3.600 2.463 2.405 2.521 . 0 0 "[ . 1 . 2]" 1
512 1 86 LYS HA 1 86 LYS HB2 2.700 . 3.600 3.016 3.002 3.029 . 0 0 "[ . 1 . 2]" 1
513 1 86 LYS HA 1 86 LYS HD3 3.100 . 4.400 2.101 1.950 2.214 . 0 0 "[ . 1 . 2]" 1
514 1 86 LYS HA 1 86 LYS QE 3.750 . 5.700 3.930 3.723 4.040 . 0 0 "[ . 1 . 2]" 1
515 1 86 LYS HB3 1 86 LYS HG3 2.700 . 3.600 2.446 2.405 2.464 . 0 0 "[ . 1 . 2]" 1
516 1 86 LYS HB3 1 86 LYS HG2 2.700 . 3.600 3.016 2.996 3.026 . 0 0 "[ . 1 . 2]" 1
517 1 86 LYS HB3 1 86 LYS HD3 2.700 . 3.600 3.060 2.967 3.163 . 0 0 "[ . 1 . 2]" 1
518 1 86 LYS QB 1 86 LYS QE 4.200 . 6.600 3.870 3.803 3.904 . 0 0 "[ . 1 . 2]" 1
519 1 87 GLN HA 1 87 GLN HB2 2.700 . 3.600 2.946 2.494 3.043 . 0 0 "[ . 1 . 2]" 1
520 1 87 GLN HA 1 87 GLN HG3 2.700 . 3.600 2.901 2.400 3.172 . 0 0 "[ . 1 . 2]" 1
521 1 87 GLN HB2 1 87 GLN HG3 2.700 . 3.600 2.510 2.380 3.012 . 0 0 "[ . 1 . 2]" 1
522 1 88 ALA MB 1 89 PRO HD3 3.200 . 4.600 3.170 2.650 3.705 . 0 0 "[ . 1 . 2]" 1
523 1 88 ALA HA 1 89 PRO HD3 2.700 . 3.600 2.165 1.962 2.548 . 0 0 "[ . 1 . 2]" 1
524 1 88 ALA HA 1 89 PRO HD2 2.700 . 3.600 2.520 2.035 3.013 . 0 0 "[ . 1 . 2]" 1
525 1 88 ALA HA 1 92 LEU MD2 3.800 . 5.800 3.672 3.191 4.180 . 0 0 "[ . 1 . 2]" 1
526 1 88 ALA MB 1 92 LEU MD1 3.700 . 5.600 4.245 3.928 4.528 . 0 0 "[ . 1 . 2]" 1
527 1 88 ALA MB 1 92 LEU MD2 3.700 . 5.600 1.967 1.871 2.107 . 0 0 "[ . 1 . 2]" 1
528 1 88 ALA MB 1 92 LEU QB 4.050 . 6.300 2.570 2.042 3.019 . 0 0 "[ . 1 . 2]" 1
529 1 88 ALA MB 1 89 PRO HD2 3.200 . 4.600 2.153 1.894 2.599 . 0 0 "[ . 1 . 2]" 1
530 1 89 PRO HB2 1 89 PRO HD3 3.300 . 4.800 3.884 3.806 4.027 . 0 0 "[ . 1 . 2]" 1
531 1 89 PRO HD3 1 92 LEU MD2 3.600 . 5.400 3.770 3.341 4.178 . 0 0 "[ . 1 . 2]" 1
532 1 89 PRO HD3 1 92 LEU HB2 3.300 . 4.800 4.751 4.508 4.872 0.072 17 0 "[ . 1 . 2]" 1
533 1 89 PRO HB3 1 89 PRO HD3 3.100 . 4.400 3.722 2.823 4.050 . 0 0 "[ . 1 . 2]" 1
534 1 89 PRO HA 1 91 TRP HD1 3.300 . 4.800 4.839 4.802 4.915 0.115 9 0 "[ . 1 . 2]" 1
535 1 89 PRO HA 1 89 PRO HG2 3.100 . 4.400 3.917 3.796 3.985 . 0 0 "[ . 1 . 2]" 1
536 1 89 PRO HA 1 89 PRO HD3 3.100 . 4.400 3.593 3.454 3.742 . 0 0 "[ . 1 . 2]" 1
537 1 89 PRO HA 1 89 PRO HB3 2.700 . 3.600 2.303 2.262 2.334 . 0 0 "[ . 1 . 2]" 1
538 1 89 PRO HA 1 89 PRO HD2 3.100 . 4.400 3.984 3.867 4.117 . 0 0 "[ . 1 . 2]" 1
539 1 89 PRO HA 1 89 PRO HG3 3.100 . 4.400 3.267 2.741 4.005 . 0 0 "[ . 1 . 2]" 1
540 1 89 PRO HB2 1 91 TRP HD1 3.100 . 4.400 3.634 2.784 4.408 0.008 8 0 "[ . 1 . 2]" 1
541 1 89 PRO HB3 1 91 TRP HD1 3.100 . 4.400 3.535 3.108 4.010 . 0 0 "[ . 1 . 2]" 1
542 1 89 PRO HB2 1 91 TRP HZ2 3.300 . 4.800 4.225 4.051 4.491 . 0 0 "[ . 1 . 2]" 1
543 1 89 PRO HD2 1 92 LEU MD1 3.600 . 5.400 4.459 4.134 4.678 . 0 0 "[ . 1 . 2]" 1
544 1 89 PRO HD2 1 92 LEU MD2 3.600 . 5.400 2.439 2.038 2.793 . 0 0 "[ . 1 . 2]" 1
545 1 89 PRO HD2 1 92 LEU HB2 3.300 . 4.800 3.176 2.770 3.416 . 0 0 "[ . 1 . 2]" 1
546 1 89 PRO HB2 1 89 PRO HD2 3.300 . 4.800 3.287 2.869 4.045 . 0 0 "[ . 1 . 2]" 1
547 1 89 PRO HD2 1 92 LEU HB3 3.300 . 4.800 2.983 2.540 3.435 . 0 0 "[ . 1 . 2]" 1
548 1 89 PRO HB3 1 91 TRP HZ2 3.100 . 4.400 4.083 3.517 4.438 0.038 18 0 "[ . 1 . 2]" 1
549 1 90 ASP HA 1 90 ASP HB3 2.700 . 3.600 2.748 2.430 3.026 . 0 0 "[ . 1 . 2]" 1
550 1 90 ASP HA 1 90 ASP HB2 2.700 . 3.600 2.637 2.390 3.025 . 0 0 "[ . 1 . 2]" 1
551 1 91 TRP HZ3 1 92 LEU QD 3.850 . 5.900 3.101 2.897 3.447 . 0 0 "[ . 1 . 2]" 1
552 1 91 TRP HZ3 1 92 LEU QB 3.750 . 5.700 3.949 3.589 4.313 . 0 0 "[ . 1 . 2]" 1
553 1 91 TRP HB2 1 91 TRP HD1 2.700 . 3.600 3.689 3.660 3.721 0.121 9 0 "[ . 1 . 2]" 1
554 1 91 TRP HH2 1 92 LEU QD 4.450 . 7.100 3.866 3.576 4.159 . 0 0 "[ . 1 . 2]" 1
555 1 91 TRP HB3 1 91 TRP HD1 3.100 . 4.400 2.530 2.502 2.569 . 0 0 "[ . 1 . 2]" 1
556 1 91 TRP HA 1 91 TRP HB2 2.700 . 3.600 2.509 2.483 2.540 . 0 0 "[ . 1 . 2]" 1
557 1 91 TRP HA 1 91 TRP HB3 2.700 . 3.600 2.400 2.384 2.430 . 0 0 "[ . 1 . 2]" 1
558 1 91 TRP HE3 1 92 LEU QB 3.750 . 5.700 3.807 3.515 4.043 . 0 0 "[ . 1 . 2]" 1
559 1 91 TRP HE3 1 92 LEU MD2 3.800 . 5.800 5.444 5.170 5.710 . 0 0 "[ . 1 . 2]" 1
560 1 91 TRP HB3 1 91 TRP HE3 3.100 . 4.400 4.180 4.131 4.221 . 0 0 "[ . 1 . 2]" 1
561 1 91 TRP HE3 1 92 LEU HA 3.300 . 4.800 3.095 2.971 3.278 . 0 0 "[ . 1 . 2]" 1
562 1 91 TRP HE3 1 92 LEU QD 4.250 . 6.700 3.759 3.638 3.965 . 0 0 "[ . 1 . 2]" 1
563 1 92 LEU HB2 1 92 LEU MD1 3.200 . 4.600 2.392 2.335 2.438 . 0 0 "[ . 1 . 2]" 1
564 1 92 LEU HB2 1 92 LEU MD2 2.600 . 3.400 2.380 2.344 2.414 . 0 0 "[ . 1 . 2]" 1
565 1 92 LEU HB3 1 92 LEU MD2 3.200 . 4.600 2.354 2.323 2.404 . 0 0 "[ . 1 . 2]" 1
566 1 92 LEU HA 1 92 LEU MD2 3.600 . 5.400 3.895 3.868 3.924 . 0 0 "[ . 1 . 2]" 1
567 1 92 LEU HA 1 92 LEU MD1 3.600 . 5.400 2.090 2.042 2.143 . 0 0 "[ . 1 . 2]" 1
568 1 92 LEU HA 1 92 LEU HG 3.300 . 4.800 3.154 3.092 3.205 . 0 0 "[ . 1 . 2]" 1
569 1 94 ALA MB 1 95 GLU HA 3.600 . 5.400 4.049 3.844 4.188 . 0 0 "[ . 1 . 2]" 1
570 1 95 GLU HB2 1 96 PRO HD2 3.100 . 4.400 3.587 2.234 4.457 0.057 15 0 "[ . 1 . 2]" 1
571 1 95 GLU HB2 1 95 GLU HG3 2.700 . 3.600 2.398 2.337 2.495 . 0 0 "[ . 1 . 2]" 1
572 1 95 GLU HB3 1 95 GLU HG3 2.700 . 3.600 2.907 2.508 3.016 . 0 0 "[ . 1 . 2]" 1
573 1 95 GLU HA 1 95 GLU HB2 2.700 . 3.600 2.865 2.421 3.036 . 0 0 "[ . 1 . 2]" 1
574 1 95 GLU HA 1 96 PRO HD2 2.700 . 3.600 2.096 1.981 2.623 . 0 0 "[ . 1 . 2]" 1
575 1 95 GLU HA 1 95 GLU HB3 2.700 . 3.600 2.454 2.341 2.563 . 0 0 "[ . 1 . 2]" 1
576 1 95 GLU HA 1 95 GLU HG3 3.100 . 4.400 3.507 3.090 3.877 . 0 0 "[ . 1 . 2]" 1
577 1 95 GLU HA 1 96 PRO HD3 2.700 . 3.600 2.463 1.982 2.596 . 0 0 "[ . 1 . 2]" 1
578 1 96 PRO HB3 1 96 PRO HD3 3.100 . 4.400 2.831 2.636 3.990 . 0 0 "[ . 1 . 2]" 1
579 1 96 PRO HB2 1 96 PRO HD3 2.700 . 3.600 3.732 3.711 3.751 0.151 4 0 "[ . 1 . 2]" 1
580 1 96 PRO HB3 1 96 PRO HD2 3.300 . 4.800 3.804 3.757 3.927 . 0 0 "[ . 1 . 2]" 1
581 1 96 PRO HA 1 96 PRO HB3 2.700 . 3.600 2.324 2.297 2.357 . 0 0 "[ . 1 . 2]" 1
582 1 96 PRO HA 1 96 PRO HD2 3.300 . 4.800 4.074 3.918 4.118 . 0 0 "[ . 1 . 2]" 1
583 1 96 PRO HA 1 96 PRO QG 3.550 . 5.300 3.412 2.775 3.492 . 0 0 "[ . 1 . 2]" 1
584 1 96 PRO HA 1 96 PRO HD3 3.300 . 4.800 3.386 3.278 3.562 . 0 0 "[ . 1 . 2]" 1
585 1 97 TYR HA 1 97 TYR QE 4.350 . 6.900 4.640 4.318 4.771 . 0 0 "[ . 1 . 2]" 1
586 1 97 TYR HB2 1 97 TYR QE 4.150 . 6.500 4.424 4.367 4.478 . 0 0 "[ . 1 . 2]" 1
587 1 97 TYR HB3 1 97 TYR QE 4.350 . 6.900 4.412 4.383 4.457 . 0 0 "[ . 1 . 2]" 1
588 1 97 TYR HA 1 97 TYR QD 3.750 . 5.700 2.770 2.154 3.121 . 0 0 "[ . 1 . 2]" 1
589 1 97 TYR HA 1 97 TYR HB3 2.700 . 3.600 3.017 2.999 3.034 . 0 0 "[ . 1 . 2]" 1
590 1 97 TYR HA 1 97 TYR HB2 2.700 . 3.600 2.459 2.401 2.535 . 0 0 "[ . 1 . 2]" 1
591 1 20 GLY QA 1 21 ARG H 3.550 . 5.300 2.434 2.086 2.933 . 0 0 "[ . 1 . 2]" 1
592 1 21 ARG HB2 1 22 GLU H 3.100 . 4.400 4.340 3.886 4.472 0.072 12 0 "[ . 1 . 2]" 1
593 1 21 ARG HB3 1 22 GLU H 3.100 . 4.400 4.071 3.775 4.422 0.022 17 0 "[ . 1 . 2]" 1
594 1 21 ARG HA 1 22 GLU H 2.300 . 2.800 2.313 2.011 2.908 0.108 2 0 "[ . 1 . 2]" 1
595 1 21 ARG H 1 21 ARG HB2 2.700 . 3.600 2.677 2.388 3.668 0.068 17 0 "[ . 1 . 2]" 1
596 1 21 ARG H 1 21 ARG QG 3.550 . 5.300 3.015 2.212 4.105 . 0 0 "[ . 1 . 2]" 1
597 1 21 ARG H 1 21 ARG HB3 3.100 . 4.400 3.535 2.545 4.076 . 0 0 "[ . 1 . 2]" 1
598 1 21 ARG QG 1 22 GLU H 3.550 . 5.300 4.316 4.141 4.526 . 0 0 "[ . 1 . 2]" 1
599 1 21 ARG H 1 22 GLU H 2.700 . 3.600 3.376 2.245 3.720 0.120 8 0 "[ . 1 . 2]" 1
600 1 22 GLU H 1 22 GLU HB3 2.700 . 3.600 3.157 2.389 3.769 0.169 9 0 "[ . 1 . 2]" 1
601 1 22 GLU H 1 22 GLU QG 3.150 . 4.500 2.993 1.826 4.266 . 0 0 "[ . 1 . 2]" 1
602 1 22 GLU H 1 22 GLU HB2 2.700 . 3.600 2.907 2.380 3.664 0.064 6 0 "[ . 1 . 2]" 1
603 1 22 GLU H 1 23 ASN H 3.100 . 4.400 3.978 2.388 4.474 0.074 16 0 "[ . 1 . 2]" 1
604 1 22 GLU HB3 1 23 ASN H 3.100 . 4.400 3.841 2.610 4.419 0.019 6 0 "[ . 1 . 2]" 1
605 1 22 GLU HB2 1 23 ASN H 3.100 . 4.400 3.979 2.128 4.427 0.027 17 0 "[ . 1 . 2]" 1
606 1 22 GLU QG 1 23 ASN H 3.550 . 5.300 3.855 2.697 4.515 . 0 0 "[ . 1 . 2]" 1
607 1 22 GLU HA 1 23 ASN H 2.300 . 2.800 2.235 2.063 2.909 0.109 3 0 "[ . 1 . 2]" 1
608 1 23 ASN H 1 23 ASN HA 2.700 . 3.600 2.881 2.731 2.949 . 0 0 "[ . 1 . 2]" 1
609 1 23 ASN HA 1 24 LEU H 2.700 . 3.600 2.619 2.001 3.588 . 0 0 "[ . 1 . 2]" 1
610 1 23 ASN QB 1 24 LEU H 3.550 . 5.300 3.523 2.046 4.057 . 0 0 "[ . 1 . 2]" 1
611 1 23 ASN H 1 23 ASN QB 3.150 . 4.500 2.653 2.229 3.319 . 0 0 "[ . 1 . 2]" 1
612 1 23 ASN H 1 24 LEU H 2.700 . 3.600 3.043 2.009 3.777 0.177 16 0 "[ . 1 . 2]" 1
613 1 24 LEU H 1 24 LEU HG 3.100 . 4.400 4.088 2.526 4.520 0.120 6 0 "[ . 1 . 2]" 1
614 1 24 LEU MD2 1 25 TYR H 3.600 . 5.400 4.733 2.853 5.287 . 0 0 "[ . 1 . 2]" 1
615 1 24 LEU HG 1 25 TYR H 3.100 . 4.400 3.907 2.579 4.482 0.082 13 0 "[ . 1 . 2]" 1
616 1 24 LEU MD1 1 25 TYR H 3.600 . 5.400 3.928 2.613 5.356 . 0 0 "[ . 1 . 2]" 1
617 1 24 LEU HA 1 25 TYR H 2.300 . 2.800 2.111 1.995 2.243 . 0 0 "[ . 1 . 2]" 1
618 1 24 LEU H 1 24 LEU QB 3.550 . 5.300 2.364 2.204 2.583 . 0 0 "[ . 1 . 2]" 1
619 1 24 LEU H 1 24 LEU QD 4.200 . 6.600 3.089 2.086 3.903 . 0 0 "[ . 1 . 2]" 1
620 1 24 LEU QB 1 25 TYR H 3.550 . 5.300 3.616 2.819 3.978 . 0 0 "[ . 1 . 2]" 1
621 1 25 TYR H 1 25 TYR HB2 2.700 . 3.600 2.704 2.378 3.586 . 0 0 "[ . 1 . 2]" 1
622 1 25 TYR H 1 26 PHE QD 4.350 . 6.900 5.720 4.146 6.234 . 0 0 "[ . 1 . 2]" 1
623 1 25 TYR H 1 25 TYR QD 4.350 . 6.900 3.459 2.010 4.372 . 0 0 "[ . 1 . 2]" 1
624 1 25 TYR HA 1 26 PHE H 2.300 . 2.800 2.158 1.892 2.557 . 0 0 "[ . 1 . 2]" 1
625 1 25 TYR HB3 1 26 PHE H 3.100 . 4.400 3.779 2.897 4.418 0.018 19 0 "[ . 1 . 2]" 1
626 1 25 TYR H 1 25 TYR HB3 2.700 . 3.600 3.142 2.438 3.722 0.122 13 0 "[ . 1 . 2]" 1
627 1 26 PHE HA 1 27 GLN H 2.700 . 3.600 2.231 1.992 3.498 . 0 0 "[ . 1 . 2]" 1
628 1 26 PHE H 1 26 PHE HB2 3.100 . 4.400 2.827 2.417 3.752 . 0 0 "[ . 1 . 2]" 1
629 1 26 PHE H 1 26 PHE HB3 3.100 . 4.400 3.423 2.654 4.025 . 0 0 "[ . 1 . 2]" 1
630 1 26 PHE HB3 1 27 GLN H 3.100 . 4.400 3.667 2.672 4.347 . 0 0 "[ . 1 . 2]" 1
631 1 26 PHE H 1 27 GLN H 3.300 . 4.800 4.222 3.468 4.626 . 0 0 "[ . 1 . 2]" 1
632 1 26 PHE HB2 1 27 GLN H 3.100 . 4.400 4.001 2.141 4.432 0.032 13 0 "[ . 1 . 2]" 1
633 1 27 GLN H 1 28 GLY H 2.700 . 3.600 3.536 1.749 3.796 0.196 16 0 "[ . 1 . 2]" 1
634 1 27 GLN HB2 1 28 GLY H 3.100 . 4.400 4.230 3.273 4.444 0.044 8 0 "[ . 1 . 2]" 1
635 1 27 GLN H 1 27 GLN HB3 2.700 . 3.600 2.911 2.346 3.829 0.229 7 0 "[ . 1 . 2]" 1
636 1 27 GLN QG 1 28 GLY H 3.550 . 5.300 3.857 3.205 4.763 . 0 0 "[ . 1 . 2]" 1
637 1 27 GLN H 1 27 GLN QG 3.150 . 4.500 3.468 1.823 4.288 . 0 0 "[ . 1 . 2]" 1
638 1 27 GLN HA 1 28 GLY H 2.300 . 2.800 2.189 1.991 3.134 0.334 17 0 "[ . 1 . 2]" 1
639 1 27 GLN HB3 1 28 GLY H 3.100 . 4.400 4.195 2.550 4.419 0.019 10 0 "[ . 1 . 2]" 1
640 1 27 GLN H 1 27 GLN HB2 2.700 . 3.600 3.063 2.419 3.746 0.146 13 0 "[ . 1 . 2]" 1
641 1 29 HIS HB2 1 30 MET H 3.100 . 4.400 3.863 2.169 4.431 0.031 16 0 "[ . 1 . 2]" 1
642 1 29 HIS HB3 1 30 MET H 3.100 . 4.400 3.883 2.779 4.413 0.013 13 0 "[ . 1 . 2]" 1
643 1 29 HIS H 1 29 HIS HB3 2.700 . 3.600 3.078 2.368 3.626 0.026 6 0 "[ . 1 . 2]" 1
644 1 29 HIS H 1 29 HIS HB2 2.700 . 3.600 2.898 2.356 3.778 0.178 12 0 "[ . 1 . 2]" 1
645 1 30 MET QB 1 32 ALA H 3.750 . 5.700 3.053 1.978 4.946 . 0 0 "[ . 1 . 2]" 1
646 1 30 MET QG 1 31 ALA H 3.550 . 5.300 3.543 2.255 4.346 . 0 0 "[ . 1 . 2]" 1
647 1 30 MET H 1 30 MET QB 3.550 . 5.300 2.499 2.258 2.895 . 0 0 "[ . 1 . 2]" 1
648 1 30 MET QG 1 32 ALA H 3.750 . 5.700 3.966 1.821 5.752 0.052 6 0 "[ . 1 . 2]" 1
649 1 30 MET HA 1 31 ALA H 2.300 . 2.800 2.291 2.105 2.851 0.051 15 0 "[ . 1 . 2]" 1
650 1 30 MET QB 1 31 ALA H 3.550 . 5.300 3.107 1.808 3.928 . 0 0 "[ . 1 . 2]" 1
651 1 30 MET H 1 30 MET QG 3.550 . 5.300 3.466 2.547 4.350 . 0 0 "[ . 1 . 2]" 1
652 1 31 ALA H 1 31 ALA MB 3.200 . 4.600 2.302 2.219 2.580 . 0 0 "[ . 1 . 2]" 1
653 1 31 ALA H 1 32 ALA H 3.100 . 4.400 3.020 2.126 4.368 . 0 0 "[ . 1 . 2]" 1
654 1 31 ALA H 1 31 ALA HA 2.300 . 2.800 2.858 2.814 2.892 0.092 7 0 "[ . 1 . 2]" 1
655 1 31 ALA HA 1 32 ALA H 2.300 . 2.800 2.627 2.084 3.018 0.218 15 0 "[ . 1 . 2]" 1
656 1 32 ALA H 1 33 PRO HD2 3.300 . 4.800 4.278 3.176 4.840 0.040 7 0 "[ . 1 . 2]" 1
657 1 32 ALA H 1 32 ALA MB 3.200 . 4.600 2.709 2.185 2.999 . 0 0 "[ . 1 . 2]" 1
658 1 34 ALA H 1 56 ILE MD 3.800 . 5.800 4.855 3.405 5.820 0.020 2 0 "[ . 1 . 2]" 1
659 1 34 ALA MB 1 76 GLN QE 4.050 . 6.300 3.987 2.447 5.267 . 0 0 "[ . 1 . 2]" 1
660 1 35 ARG QG 1 36 PHE H 3.550 . 5.300 4.172 3.778 4.443 . 0 0 "[ . 1 . 2]" 1
661 1 35 ARG H 1 35 ARG QG 3.150 . 4.500 3.077 2.392 4.240 . 0 0 "[ . 1 . 2]" 1
662 1 35 ARG H 1 35 ARG HA 2.700 . 3.600 2.939 2.895 2.966 . 0 0 "[ . 1 . 2]" 1
663 1 35 ARG QB 1 36 PHE H 3.550 . 5.300 2.920 2.296 3.517 . 0 0 "[ . 1 . 2]" 1
664 1 35 ARG H 1 35 ARG HB3 3.100 . 4.400 3.545 2.787 3.829 . 0 0 "[ . 1 . 2]" 1
665 1 35 ARG HA 1 36 PHE H 3.100 . 4.400 3.403 3.202 3.496 . 0 0 "[ . 1 . 2]" 1
666 1 35 ARG H 1 35 ARG HB2 3.100 . 4.400 2.629 2.338 3.148 . 0 0 "[ . 1 . 2]" 1
667 1 36 PHE HA 1 37 CYS H 2.700 . 3.600 2.374 2.266 2.542 . 0 0 "[ . 1 . 2]" 1
668 1 36 PHE H 1 36 PHE QD 4.150 . 6.500 3.016 2.573 3.382 . 0 0 "[ . 1 . 2]" 1
669 1 36 PHE H 1 36 PHE HB2 3.100 . 4.400 2.796 2.657 3.735 . 0 0 "[ . 1 . 2]" 1
670 1 36 PHE HB3 1 37 CYS H 2.700 . 3.600 2.422 2.136 3.243 . 0 0 "[ . 1 . 2]" 1
671 1 36 PHE H 1 56 ILE MD 3.800 . 5.800 4.002 3.021 4.836 . 0 0 "[ . 1 . 2]" 1
672 1 36 PHE QD 1 54 VAL H 4.150 . 6.500 3.729 3.195 4.337 . 0 0 "[ . 1 . 2]" 1
673 1 36 PHE H 1 97 TYR H 3.100 . 4.400 3.246 3.078 3.402 . 0 0 "[ . 1 . 2]" 1
674 1 36 PHE QD 1 56 ILE H 4.150 . 6.500 4.434 4.154 5.025 . 0 0 "[ . 1 . 2]" 1
675 1 36 PHE H 1 36 PHE HB3 3.100 . 4.400 3.793 3.630 3.870 . 0 0 "[ . 1 . 2]" 1
676 1 36 PHE HB2 1 37 CYS H 3.100 . 4.400 3.444 1.895 3.722 . 0 0 "[ . 1 . 2]" 1
677 1 36 PHE QD 1 37 CYS H 4.150 . 6.500 3.765 3.286 4.322 . 0 0 "[ . 1 . 2]" 1
678 1 36 PHE HA 1 56 ILE H 2.700 . 3.600 2.536 2.209 2.946 . 0 0 "[ . 1 . 2]" 1
679 1 36 PHE QD 1 55 ARG H 4.150 . 6.500 3.532 2.706 5.722 . 0 0 "[ . 1 . 2]" 1
680 1 36 PHE QB 1 56 ILE H 3.750 . 5.700 4.495 3.404 4.865 . 0 0 "[ . 1 . 2]" 1
681 1 36 PHE HB2 1 97 TYR H 3.300 . 4.800 4.132 3.894 4.871 0.071 18 0 "[ . 1 . 2]" 1
682 1 36 PHE HB2 1 54 VAL H 3.300 . 4.800 4.650 3.105 4.876 0.076 9 0 "[ . 1 . 2]" 1
683 1 36 PHE HB3 1 54 VAL H 3.100 . 4.400 3.169 2.699 4.415 0.015 18 0 "[ . 1 . 2]" 1
684 1 36 PHE HA 1 54 VAL H 3.300 . 4.800 4.299 4.014 4.774 . 0 0 "[ . 1 . 2]" 1
685 1 37 CYS HA 1 97 TYR H 3.100 . 4.400 2.696 2.506 2.886 . 0 0 "[ . 1 . 2]" 1
686 1 37 CYS H 1 54 VAL MG1 3.600 . 5.400 4.334 4.143 4.626 . 0 0 "[ . 1 . 2]" 1
687 1 37 CYS H 1 56 ILE H 3.100 . 4.400 4.360 4.142 4.454 0.054 16 0 "[ . 1 . 2]" 1
688 1 37 CYS H 1 37 CYS HA 2.700 . 3.600 2.915 2.894 2.933 . 0 0 "[ . 1 . 2]" 1
689 1 37 CYS HB2 1 38 VAL H 3.100 . 4.400 4.094 3.966 4.185 . 0 0 "[ . 1 . 2]" 1
690 1 37 CYS H 1 55 ARG HA 3.100 . 4.400 3.950 3.403 4.375 . 0 0 "[ . 1 . 2]" 1
691 1 37 CYS H 1 54 VAL MG2 3.600 . 5.400 4.519 4.317 4.771 . 0 0 "[ . 1 . 2]" 1
692 1 37 CYS HA 1 95 GLU H 3.100 . 4.400 4.282 3.998 4.435 0.035 18 0 "[ . 1 . 2]" 1
693 1 37 CYS HB2 1 54 VAL H 3.300 . 4.800 3.957 3.374 4.832 0.032 18 0 "[ . 1 . 2]" 1
694 1 37 CYS HB3 1 38 VAL H 2.700 . 3.600 3.252 2.943 3.688 0.088 6 0 "[ . 1 . 2]" 1
695 1 37 CYS H 1 37 CYS HB3 2.700 . 3.600 3.403 2.675 3.698 0.098 15 0 "[ . 1 . 2]" 1
696 1 37 CYS HA 1 38 VAL H 2.000 . 2.200 2.170 2.129 2.221 0.021 14 0 "[ . 1 . 2]" 1
697 1 37 CYS H 1 37 CYS HB2 2.700 . 3.600 2.666 2.479 3.087 . 0 0 "[ . 1 . 2]" 1
698 1 37 CYS H 1 56 ILE MD 3.800 . 5.800 4.062 3.252 4.568 . 0 0 "[ . 1 . 2]" 1
699 1 37 CYS H 1 54 VAL H 2.700 . 3.600 2.548 2.288 2.959 . 0 0 "[ . 1 . 2]" 1
700 1 37 CYS H 1 38 VAL H 3.300 . 4.800 4.266 4.144 4.345 . 0 0 "[ . 1 . 2]" 1
701 1 37 CYS H 1 39 TYR QE 4.350 . 6.900 4.191 3.653 4.904 . 0 0 "[ . 1 . 2]" 1
702 1 38 VAL H 1 97 TYR H 3.100 . 4.400 4.129 3.919 4.420 0.020 20 0 "[ . 1 . 2]" 1
703 1 38 VAL HB 1 39 TYR H 3.100 . 4.400 4.023 3.412 4.214 . 0 0 "[ . 1 . 2]" 1
704 1 38 VAL HA 1 39 TYR H 2.000 . 2.200 2.120 2.078 2.164 . 0 0 "[ . 1 . 2]" 1
705 1 38 VAL H 1 97 TYR QB 3.550 . 5.300 3.451 3.042 3.986 . 0 0 "[ . 1 . 2]" 1
706 1 38 VAL H 1 38 VAL MG2 3.200 . 4.600 2.174 1.931 2.483 . 0 0 "[ . 1 . 2]" 1
707 1 38 VAL MG1 1 39 TYR H 3.200 . 4.600 2.867 2.335 3.728 . 0 0 "[ . 1 . 2]" 1
708 1 38 VAL MG1 1 95 GLU H 3.600 . 5.400 4.395 4.165 4.765 . 0 0 "[ . 1 . 2]" 1
709 1 38 VAL H 1 39 TYR H 3.300 . 4.800 4.345 4.261 4.435 . 0 0 "[ . 1 . 2]" 1
710 1 38 VAL H 1 95 GLU H 2.700 . 3.600 2.689 2.560 2.784 . 0 0 "[ . 1 . 2]" 1
711 1 38 VAL MG2 1 54 VAL H 3.800 . 5.800 4.724 4.131 5.691 . 0 0 "[ . 1 . 2]" 1
712 1 38 VAL H 1 94 ALA MB 3.600 . 5.400 4.120 3.878 4.363 . 0 0 "[ . 1 . 2]" 1
713 1 38 VAL MG2 1 97 TYR H 3.600 . 5.400 3.834 3.585 4.052 . 0 0 "[ . 1 . 2]" 1
714 1 38 VAL MG2 1 39 TYR H 3.600 . 5.400 4.258 3.952 4.356 . 0 0 "[ . 1 . 2]" 1
715 1 38 VAL HA 1 52 MET H 3.100 . 4.400 4.459 4.400 4.504 0.104 17 0 "[ . 1 . 2]" 1
716 1 38 VAL H 1 38 VAL MG1 3.200 . 4.600 3.769 3.033 3.882 . 0 0 "[ . 1 . 2]" 1
717 1 38 VAL H 1 39 TYR QE 4.350 . 6.900 5.200 4.967 5.329 . 0 0 "[ . 1 . 2]" 1
718 1 38 VAL H 1 94 ALA HA 3.300 . 4.800 4.178 4.055 4.305 . 0 0 "[ . 1 . 2]" 1
719 1 38 VAL H 1 38 VAL HB 2.700 . 3.600 2.722 2.511 3.624 0.024 12 0 "[ . 1 . 2]" 1
720 1 38 VAL H 1 96 PRO HA 3.100 . 4.400 4.014 3.596 4.278 . 0 0 "[ . 1 . 2]" 1
721 1 38 VAL HB 1 95 GLU H 3.100 . 4.400 3.196 2.897 4.254 . 0 0 "[ . 1 . 2]" 1
722 1 38 VAL QG 1 52 MET H 4.200 . 6.600 3.857 3.428 4.659 . 0 0 "[ . 1 . 2]" 1
723 1 38 VAL MG2 1 95 GLU H 3.600 . 5.400 3.889 2.347 4.449 . 0 0 "[ . 1 . 2]" 1
724 1 39 TYR QE 1 81 ILE H 4.350 . 6.900 5.644 5.056 6.216 . 0 0 "[ . 1 . 2]" 1
725 1 39 TYR HB3 1 93 ALA H 3.100 . 4.400 4.446 4.421 4.470 0.070 17 0 "[ . 1 . 2]" 1
726 1 39 TYR QD 1 52 MET H 4.150 . 6.500 4.346 3.954 4.715 . 0 0 "[ . 1 . 2]" 1
727 1 39 TYR H 1 39 TYR QD 3.750 . 5.700 2.469 2.318 2.709 . 0 0 "[ . 1 . 2]" 1
728 1 39 TYR QB 1 40 TYR H 3.150 . 4.500 2.773 2.664 2.938 . 0 0 "[ . 1 . 2]" 1
729 1 39 TYR HB3 1 51 LEU H 3.300 . 4.800 4.777 4.649 4.854 0.054 13 0 "[ . 1 . 2]" 1
730 1 39 TYR QE 1 54 VAL H 4.150 . 6.500 3.596 3.059 4.219 . 0 0 "[ . 1 . 2]" 1
731 1 39 TYR QD 1 95 GLU H 4.350 . 6.900 5.113 4.863 5.323 . 0 0 "[ . 1 . 2]" 1
732 1 39 TYR QD 1 93 ALA H 4.350 . 6.900 4.440 4.254 4.606 . 0 0 "[ . 1 . 2]" 1
733 1 39 TYR HA 1 95 GLU H 3.100 . 4.400 3.802 3.450 3.966 . 0 0 "[ . 1 . 2]" 1
734 1 39 TYR H 1 39 TYR QB 3.150 . 4.500 2.454 2.407 2.491 . 0 0 "[ . 1 . 2]" 1
735 1 39 TYR H 1 53 TYR HA 3.100 . 4.400 3.442 3.295 3.717 . 0 0 "[ . 1 . 2]" 1
736 1 39 TYR QD 1 40 TYR H 4.150 . 6.500 3.910 3.727 4.130 . 0 0 "[ . 1 . 2]" 1
737 1 39 TYR H 1 40 TYR H 3.300 . 4.800 4.447 4.344 4.491 . 0 0 "[ . 1 . 2]" 1
738 1 39 TYR H 1 52 MET H 2.700 . 3.600 2.910 2.655 2.992 . 0 0 "[ . 1 . 2]" 1
739 1 39 TYR HB2 1 52 MET H 2.700 . 3.600 2.901 2.563 3.138 . 0 0 "[ . 1 . 2]" 1
740 1 39 TYR HA 1 40 TYR H 2.000 . 2.200 2.114 2.073 2.163 . 0 0 "[ . 1 . 2]" 1
741 1 39 TYR HA 1 93 ALA H 3.100 . 4.400 4.406 4.300 4.450 0.050 15 0 "[ . 1 . 2]" 1
742 1 39 TYR H 1 54 VAL MG2 3.600 . 5.400 4.281 3.909 4.687 . 0 0 "[ . 1 . 2]" 1
743 1 39 TYR QE 1 72 GLU H 4.350 . 6.900 5.992 5.633 6.389 . 0 0 "[ . 1 . 2]" 1
744 1 39 TYR QD 1 54 VAL H 4.350 . 6.900 3.512 3.118 3.933 . 0 0 "[ . 1 . 2]" 1
745 1 39 TYR H 1 39 TYR QE 4.350 . 6.900 4.684 4.541 4.838 . 0 0 "[ . 1 . 2]" 1
746 1 40 TYR QD 1 41 ASP H 4.150 . 6.500 3.980 3.691 4.299 . 0 0 "[ . 1 . 2]" 1
747 1 40 TYR QE 1 95 GLU H 4.350 . 6.900 3.680 3.092 4.288 . 0 0 "[ . 1 . 2]" 1
748 1 40 TYR HB2 1 93 ALA H 3.100 . 4.400 3.582 3.311 3.984 . 0 0 "[ . 1 . 2]" 1
749 1 40 TYR QD 1 51 LEU H 4.150 . 6.500 3.968 3.753 4.266 . 0 0 "[ . 1 . 2]" 1
750 1 40 TYR H 1 93 ALA MB 3.600 . 5.400 3.060 2.785 3.341 . 0 0 "[ . 1 . 2]" 1
751 1 40 TYR H 1 94 ALA MB 3.600 . 5.400 4.491 4.150 4.961 . 0 0 "[ . 1 . 2]" 1
752 1 40 TYR HB3 1 41 ASP H 3.100 . 4.400 2.690 2.491 2.895 . 0 0 "[ . 1 . 2]" 1
753 1 40 TYR QD 1 50 LEU H 4.150 . 6.500 3.276 2.948 3.699 . 0 0 "[ . 1 . 2]" 1
754 1 40 TYR H 1 93 ALA H 3.100 . 4.400 2.827 2.716 3.013 . 0 0 "[ . 1 . 2]" 1
755 1 40 TYR QE 1 50 LEU H 4.150 . 6.500 4.325 3.434 5.236 . 0 0 "[ . 1 . 2]" 1
756 1 40 TYR QD 1 49 VAL H 4.350 . 6.900 4.198 3.645 4.635 . 0 0 "[ . 1 . 2]" 1
757 1 40 TYR H 1 40 TYR QD 4.150 . 6.500 2.934 2.706 3.251 . 0 0 "[ . 1 . 2]" 1
758 1 40 TYR HB3 1 49 VAL H 3.100 . 4.400 3.228 2.955 3.616 . 0 0 "[ . 1 . 2]" 1
759 1 40 TYR H 1 94 ALA HA 3.100 . 4.400 3.689 3.511 3.833 . 0 0 "[ . 1 . 2]" 1
760 1 40 TYR HA 1 41 ASP H 2.300 . 2.800 2.190 2.124 2.275 . 0 0 "[ . 1 . 2]" 1
761 1 40 TYR H 1 40 TYR QE 4.350 . 6.900 4.967 4.705 5.276 . 0 0 "[ . 1 . 2]" 1
762 1 40 TYR H 1 40 TYR HB2 2.700 . 3.600 2.711 2.597 2.872 . 0 0 "[ . 1 . 2]" 1
763 1 40 TYR HA 1 51 LEU H 2.700 . 3.600 2.552 2.444 2.752 . 0 0 "[ . 1 . 2]" 1
764 1 40 TYR H 1 41 ASP H 3.300 . 4.800 4.319 4.286 4.359 . 0 0 "[ . 1 . 2]" 1
765 1 40 TYR QD 1 95 GLU H 4.150 . 6.500 4.003 3.475 4.587 . 0 0 "[ . 1 . 2]" 1
766 1 40 TYR QD 1 48 ARG H 4.350 . 6.900 5.675 5.436 5.894 . 0 0 "[ . 1 . 2]" 1
767 1 41 ASP H 1 41 ASP HB3 2.700 . 3.600 2.420 2.301 2.562 . 0 0 "[ . 1 . 2]" 1
768 1 41 ASP H 1 51 LEU HG 2.700 . 3.600 2.385 2.235 2.525 . 0 0 "[ . 1 . 2]" 1
769 1 41 ASP H 1 51 LEU MD1 3.600 . 5.400 3.209 2.968 3.397 . 0 0 "[ . 1 . 2]" 1
770 1 41 ASP HB3 1 42 GLY H 3.100 . 4.400 4.360 4.269 4.427 0.027 8 0 "[ . 1 . 2]" 1
771 1 41 ASP HB2 1 49 VAL H 3.100 . 4.400 4.343 4.005 4.465 0.065 13 0 "[ . 1 . 2]" 1
772 1 41 ASP H 1 41 ASP HB2 2.700 . 3.600 2.773 2.643 2.903 . 0 0 "[ . 1 . 2]" 1
773 1 41 ASP H 1 49 VAL HB 3.100 . 4.400 3.052 2.893 3.199 . 0 0 "[ . 1 . 2]" 1
774 1 41 ASP HA 1 93 ALA H 3.100 . 4.400 3.932 3.539 4.163 . 0 0 "[ . 1 . 2]" 1
775 1 41 ASP H 1 92 LEU MD1 3.800 . 5.800 4.635 4.347 5.090 . 0 0 "[ . 1 . 2]" 1
776 1 41 ASP H 1 49 VAL H 3.100 . 4.400 2.804 2.682 2.916 . 0 0 "[ . 1 . 2]" 1
777 1 41 ASP H 1 50 LEU HA 3.100 . 4.400 4.096 3.916 4.284 . 0 0 "[ . 1 . 2]" 1
778 1 41 ASP HB2 1 42 GLY H 3.300 . 4.800 4.463 4.374 4.539 . 0 0 "[ . 1 . 2]" 1
779 1 41 ASP H 1 51 LEU H 3.100 . 4.400 4.126 3.949 4.347 . 0 0 "[ . 1 . 2]" 1
780 1 41 ASP HA 1 42 GLY H 2.000 . 2.200 2.181 2.118 2.233 0.033 16 0 "[ . 1 . 2]" 1
781 1 42 GLY H 1 93 ALA MB 3.600 . 5.400 3.950 3.667 4.328 . 0 0 "[ . 1 . 2]" 1
782 1 42 GLY H 1 91 TRP HA 3.100 . 4.400 3.895 3.470 4.388 . 0 0 "[ . 1 . 2]" 1
783 1 42 GLY H 1 42 GLY HA2 2.700 . 3.600 2.470 2.343 2.653 . 0 0 "[ . 1 . 2]" 1
784 1 42 GLY H 1 91 TRP HE3 3.100 . 4.400 2.647 2.214 3.262 . 0 0 "[ . 1 . 2]" 1
785 1 42 GLY HA2 1 43 HIS H 2.300 . 2.800 2.111 1.946 2.243 . 0 0 "[ . 1 . 2]" 1
786 1 42 GLY H 1 92 LEU MD1 3.800 . 5.800 4.354 3.921 4.618 . 0 0 "[ . 1 . 2]" 1
787 1 42 GLY H 1 43 HIS H 3.100 . 4.400 3.951 3.664 4.140 . 0 0 "[ . 1 . 2]" 1
788 1 42 GLY H 1 92 LEU H 3.300 . 4.800 4.833 4.791 4.867 0.067 16 0 "[ . 1 . 2]" 1
789 1 42 GLY H 1 91 TRP QB 3.750 . 5.700 3.186 2.945 3.477 . 0 0 "[ . 1 . 2]" 1
790 1 42 GLY HA3 1 43 HIS H 2.300 . 2.800 2.859 2.802 2.940 0.140 8 0 "[ . 1 . 2]" 1
791 1 42 GLY H 1 42 GLY HA3 2.700 . 3.600 2.939 2.893 2.965 . 0 0 "[ . 1 . 2]" 1
792 1 43 HIS H 1 43 HIS HB3 2.700 . 3.600 2.859 2.459 3.097 . 0 0 "[ . 1 . 2]" 1
793 1 43 HIS HB2 1 44 LEU H 3.100 . 4.400 4.323 4.143 4.424 0.024 5 0 "[ . 1 . 2]" 1
794 1 43 HIS H 1 43 HIS HD2 3.300 . 4.800 2.910 1.909 4.897 0.097 3 0 "[ . 1 . 2]" 1
795 1 43 HIS HB3 1 44 LEU H 3.100 . 4.400 4.233 3.361 4.441 0.041 18 0 "[ . 1 . 2]" 1
796 1 43 HIS HA 1 44 LEU H 3.300 . 4.800 3.224 2.998 3.390 . 0 0 "[ . 1 . 2]" 1
797 1 43 HIS H 1 43 HIS HB2 3.100 . 4.400 3.569 2.558 3.831 . 0 0 "[ . 1 . 2]" 1
798 1 43 HIS H 1 44 LEU H 2.700 . 3.600 2.265 2.055 2.661 . 0 0 "[ . 1 . 2]" 1
799 1 44 LEU H 1 45 PRO HD2 3.300 . 4.800 4.789 4.699 4.868 0.068 20 0 "[ . 1 . 2]" 1
800 1 44 LEU H 1 44 LEU HA 2.700 . 3.600 2.907 2.860 2.930 . 0 0 "[ . 1 . 2]" 1
801 1 44 LEU H 1 48 ARG HB2 3.100 . 4.400 4.446 4.406 4.473 0.073 19 0 "[ . 1 . 2]" 1
802 1 44 LEU H 1 44 LEU HG 3.100 . 4.400 4.428 4.247 4.480 0.080 8 0 "[ . 1 . 2]" 1
803 1 44 LEU H 1 44 LEU QD 4.250 . 6.700 3.643 2.717 3.924 . 0 0 "[ . 1 . 2]" 1
804 1 44 LEU QD 1 46 ALA H 4.250 . 6.700 3.428 2.980 4.146 . 0 0 "[ . 1 . 2]" 1
805 1 44 LEU H 1 48 ARG HB3 3.100 . 4.400 3.350 2.986 3.753 . 0 0 "[ . 1 . 2]" 1
806 1 44 LEU H 1 48 ARG H 3.300 . 4.800 4.623 3.894 4.837 0.037 11 0 "[ . 1 . 2]" 1
807 1 44 LEU HG 1 46 ALA H 3.100 . 4.400 2.728 1.865 4.450 0.050 10 0 "[ . 1 . 2]" 1
808 1 44 LEU QD 1 47 THR H 4.250 . 6.700 3.326 2.610 4.263 . 0 0 "[ . 1 . 2]" 1
809 1 44 LEU H 1 44 LEU HB2 2.700 . 3.600 2.684 2.299 3.030 . 0 0 "[ . 1 . 2]" 1
810 1 45 PRO HA 1 46 ALA H 3.100 . 4.400 3.453 3.269 3.534 . 0 0 "[ . 1 . 2]" 1
811 1 45 PRO HG3 1 46 ALA H 3.100 . 4.400 4.382 4.036 4.491 0.091 7 0 "[ . 1 . 2]" 1
812 1 45 PRO HD3 1 46 ALA H 3.100 . 4.400 4.156 3.932 4.417 0.017 7 0 "[ . 1 . 2]" 1
813 1 45 PRO HD2 1 46 ALA H 3.100 . 4.400 3.113 2.835 3.451 . 0 0 "[ . 1 . 2]" 1
814 1 45 PRO HG2 1 46 ALA H 3.100 . 4.400 3.137 2.514 4.047 . 0 0 "[ . 1 . 2]" 1
815 1 45 PRO HB3 1 46 ALA H 3.100 . 4.400 4.208 3.575 4.406 0.006 14 0 "[ . 1 . 2]" 1
816 1 45 PRO HB2 1 46 ALA H 3.100 . 4.400 3.251 2.133 3.898 . 0 0 "[ . 1 . 2]" 1
817 1 46 ALA H 1 47 THR MG 3.800 . 5.800 5.018 3.510 5.803 0.003 7 0 "[ . 1 . 2]" 1
818 1 46 ALA H 1 46 ALA HA 2.700 . 3.600 2.890 2.802 2.922 . 0 0 "[ . 1 . 2]" 1
819 1 46 ALA MB 1 47 THR H 3.200 . 4.600 2.859 2.164 3.368 . 0 0 "[ . 1 . 2]" 1
820 1 46 ALA H 1 47 THR H 2.700 . 3.600 2.541 2.338 2.868 . 0 0 "[ . 1 . 2]" 1
821 1 46 ALA HA 1 47 THR H 3.100 . 4.400 3.477 3.309 3.609 . 0 0 "[ . 1 . 2]" 1
822 1 46 ALA H 1 46 ALA MB 2.800 . 3.800 2.306 2.256 2.363 . 0 0 "[ . 1 . 2]" 1
823 1 46 ALA H 1 48 ARG H 3.300 . 4.800 4.015 3.643 4.319 . 0 0 "[ . 1 . 2]" 1
824 1 47 THR H 1 48 ARG H 2.300 . 2.800 2.304 1.941 2.819 0.019 10 0 "[ . 1 . 2]" 1
825 1 47 THR H 1 47 THR MG 3.200 . 4.600 3.243 2.193 3.983 . 0 0 "[ . 1 . 2]" 1
826 1 47 THR H 1 47 THR HA 2.700 . 3.600 2.922 2.854 2.961 . 0 0 "[ . 1 . 2]" 1
827 1 47 THR H 1 47 THR HB 3.100 . 4.400 2.988 2.579 3.557 . 0 0 "[ . 1 . 2]" 1
828 1 47 THR HA 1 48 ARG H 3.100 . 4.400 3.186 2.926 3.476 . 0 0 "[ . 1 . 2]" 1
829 1 47 THR HB 1 48 ARG H 3.100 . 4.400 3.979 3.065 4.489 0.089 9 0 "[ . 1 . 2]" 1
830 1 48 ARG HB2 1 49 VAL H 3.100 . 4.400 3.114 2.634 3.512 . 0 0 "[ . 1 . 2]" 1
831 1 48 ARG H 1 48 ARG HA 2.700 . 3.600 2.848 2.738 2.905 . 0 0 "[ . 1 . 2]" 1
832 1 48 ARG H 1 48 ARG HE 3.100 . 4.400 3.847 2.424 4.472 0.072 13 0 "[ . 1 . 2]" 1
833 1 48 ARG H 1 49 VAL H 3.300 . 4.800 4.550 4.340 4.660 . 0 0 "[ . 1 . 2]" 1
834 1 48 ARG H 1 48 ARG HD3 3.100 . 4.400 2.920 1.874 4.352 . 0 0 "[ . 1 . 2]" 1
835 1 48 ARG HB3 1 49 VAL H 3.100 . 4.400 4.167 3.870 4.419 0.019 9 0 "[ . 1 . 2]" 1
836 1 48 ARG H 1 48 ARG HG2 3.100 . 4.400 3.089 1.968 3.953 . 0 0 "[ . 1 . 2]" 1
837 1 48 ARG H 1 48 ARG HB3 2.700 . 3.600 2.495 2.249 2.783 . 0 0 "[ . 1 . 2]" 1
838 1 48 ARG HA 1 49 VAL H 2.300 . 2.800 2.199 2.083 2.398 . 0 0 "[ . 1 . 2]" 1
839 1 48 ARG H 1 48 ARG HG3 3.100 . 4.400 3.666 3.051 4.168 . 0 0 "[ . 1 . 2]" 1
840 1 48 ARG H 1 48 ARG HB2 2.700 . 3.600 3.616 3.535 3.673 0.073 18 0 "[ . 1 . 2]" 1
841 1 49 VAL H 1 49 VAL MG2 3.200 . 4.600 2.395 2.179 2.631 . 0 0 "[ . 1 . 2]" 1
842 1 49 VAL HA 1 50 LEU H 2.000 . 2.200 2.169 2.119 2.226 0.026 7 0 "[ . 1 . 2]" 1
843 1 49 VAL HB 1 50 LEU H 3.100 . 4.400 4.117 3.837 4.242 . 0 0 "[ . 1 . 2]" 1
844 1 49 VAL QG 1 50 LEU H 3.850 . 5.900 2.660 2.372 2.877 . 0 0 "[ . 1 . 2]" 1
845 1 49 VAL H 1 49 VAL MG1 3.200 . 4.600 3.828 3.780 3.869 . 0 0 "[ . 1 . 2]" 1
846 1 49 VAL H 1 49 VAL HA 2.700 . 3.600 2.938 2.912 2.957 . 0 0 "[ . 1 . 2]" 1
847 1 49 VAL H 1 49 VAL HB 2.700 . 3.600 2.576 2.502 2.656 . 0 0 "[ . 1 . 2]" 1
848 1 50 LEU H 1 50 LEU HB3 2.700 . 3.600 2.417 2.361 2.525 . 0 0 "[ . 1 . 2]" 1
849 1 50 LEU H 1 50 LEU MD2 3.600 . 5.400 4.146 4.094 4.206 . 0 0 "[ . 1 . 2]" 1
850 1 50 LEU MD1 1 52 MET H 3.600 . 5.400 3.451 3.055 3.658 . 0 0 "[ . 1 . 2]" 1
851 1 50 LEU HB3 1 51 LEU H 3.300 . 4.800 4.308 4.241 4.410 . 0 0 "[ . 1 . 2]" 1
852 1 50 LEU H 1 50 LEU HB2 2.700 . 3.600 2.516 2.445 2.599 . 0 0 "[ . 1 . 2]" 1
853 1 50 LEU MD2 1 51 LEU H 3.600 . 5.400 2.284 2.093 2.455 . 0 0 "[ . 1 . 2]" 1
854 1 50 LEU MD1 1 51 LEU H 3.600 . 5.400 3.014 2.913 3.154 . 0 0 "[ . 1 . 2]" 1
855 1 50 LEU MD2 1 52 MET H 3.600 . 5.400 3.082 2.833 3.280 . 0 0 "[ . 1 . 2]" 1
856 1 50 LEU HA 1 51 LEU H 2.700 . 3.600 2.194 2.100 2.258 . 0 0 "[ . 1 . 2]" 1
857 1 50 LEU H 1 50 LEU MD1 3.600 . 5.400 4.163 4.108 4.229 . 0 0 "[ . 1 . 2]" 1
858 1 50 LEU HA 1 52 MET H 3.300 . 4.800 4.490 4.351 4.588 . 0 0 "[ . 1 . 2]" 1
859 1 51 LEU MD2 1 52 MET H 3.600 . 5.400 4.646 4.610 4.670 . 0 0 "[ . 1 . 2]" 1
860 1 51 LEU HB2 1 52 MET H 2.700 . 3.600 2.336 2.259 2.390 . 0 0 "[ . 1 . 2]" 1
861 1 51 LEU HG 1 52 MET H 3.100 . 4.400 4.385 4.309 4.414 0.014 18 0 "[ . 1 . 2]" 1
862 1 51 LEU H 1 51 LEU HB3 3.100 . 4.400 3.672 3.600 3.724 . 0 0 "[ . 1 . 2]" 1
863 1 51 LEU HA 1 52 MET H 3.100 . 4.400 3.638 3.601 3.667 . 0 0 "[ . 1 . 2]" 1
864 1 51 LEU H 1 51 LEU MD1 3.600 . 5.400 3.931 3.694 4.105 . 0 0 "[ . 1 . 2]" 1
865 1 51 LEU H 1 51 LEU MD2 3.600 . 5.400 3.690 3.563 3.784 . 0 0 "[ . 1 . 2]" 1
866 1 51 LEU H 1 51 LEU HB2 2.700 . 3.600 2.496 2.398 2.569 . 0 0 "[ . 1 . 2]" 1
867 1 51 LEU H 1 51 LEU HG 2.700 . 3.600 2.852 2.647 3.019 . 0 0 "[ . 1 . 2]" 1
868 1 51 LEU H 1 52 MET H 2.700 . 3.600 2.516 2.452 2.567 . 0 0 "[ . 1 . 2]" 1
869 1 51 LEU MD1 1 52 MET H 3.600 . 5.400 4.277 4.161 4.353 . 0 0 "[ . 1 . 2]" 1
870 1 51 LEU HB3 1 52 MET H 2.700 . 3.600 3.290 3.224 3.390 . 0 0 "[ . 1 . 2]" 1
871 1 52 MET HG3 1 53 TYR H 2.700 . 3.600 3.610 3.454 3.780 0.180 7 0 "[ . 1 . 2]" 1
872 1 52 MET H 1 52 MET HB2 3.100 . 4.400 3.902 2.892 4.097 . 0 0 "[ . 1 . 2]" 1
873 1 52 MET HB2 1 53 TYR H 3.100 . 4.400 2.459 2.161 3.794 . 0 0 "[ . 1 . 2]" 1
874 1 52 MET H 1 52 MET HB3 3.100 . 4.400 3.621 3.538 3.756 . 0 0 "[ . 1 . 2]" 1
875 1 52 MET ME 1 63 THR H 3.600 . 5.400 3.844 2.547 5.377 . 0 0 "[ . 1 . 2]" 1
876 1 52 MET ME 1 61 THR H 3.600 . 5.400 4.370 3.014 5.416 0.016 13 0 "[ . 1 . 2]" 1
877 1 52 MET HA 1 53 TYR H 2.000 . 2.200 2.256 2.225 2.287 0.087 17 0 "[ . 1 . 2]" 1
878 1 52 MET HB3 1 53 TYR H 3.100 . 4.400 3.400 2.344 3.646 . 0 0 "[ . 1 . 2]" 1
879 1 52 MET H 1 53 TYR H 3.100 . 4.400 4.257 4.209 4.315 . 0 0 "[ . 1 . 2]" 1
880 1 52 MET H 1 52 MET HA 2.700 . 3.600 2.814 2.765 2.905 . 0 0 "[ . 1 . 2]" 1
881 1 52 MET H 1 52 MET HG3 3.100 . 4.400 3.569 3.370 4.237 . 0 0 "[ . 1 . 2]" 1
882 1 53 TYR H 1 54 VAL H 3.300 . 4.800 4.394 4.311 4.466 . 0 0 "[ . 1 . 2]" 1
883 1 53 TYR QD 1 54 VAL H 4.350 . 6.900 4.318 4.035 4.605 . 0 0 "[ . 1 . 2]" 1
884 1 53 TYR HB3 1 54 VAL H 2.700 . 3.600 3.170 2.853 3.453 . 0 0 "[ . 1 . 2]" 1
885 1 53 TYR HA 1 54 VAL H 2.000 . 2.200 2.190 2.093 2.230 0.030 9 0 "[ . 1 . 2]" 1
886 1 53 TYR HB2 1 54 VAL H 3.100 . 4.400 4.109 3.870 4.289 . 0 0 "[ . 1 . 2]" 1
887 1 53 TYR H 1 53 TYR QD 3.750 . 5.700 2.459 2.215 2.866 . 0 0 "[ . 1 . 2]" 1
888 1 53 TYR H 1 53 TYR HB2 2.700 . 3.600 2.455 2.400 2.517 . 0 0 "[ . 1 . 2]" 1
889 1 53 TYR H 1 53 TYR HB3 2.700 . 3.600 3.639 3.615 3.689 0.089 7 0 "[ . 1 . 2]" 1
890 1 54 VAL HA 1 55 ARG H 2.000 . 2.200 2.176 2.111 2.247 0.047 7 0 "[ . 1 . 2]" 1
891 1 54 VAL H 1 54 VAL MG1 3.600 . 5.400 3.893 3.826 3.964 . 0 0 "[ . 1 . 2]" 1
892 1 54 VAL QG 1 73 ALA H 3.800 . 5.800 3.070 2.601 3.543 . 0 0 "[ . 1 . 2]" 1
893 1 54 VAL QG 1 72 GLU H 4.400 . 7.000 5.237 4.702 5.746 . 0 0 "[ . 1 . 2]" 1
894 1 54 VAL QG 1 71 VAL H 4.400 . 7.000 4.551 4.071 5.045 . 0 0 "[ . 1 . 2]" 1
895 1 54 VAL H 1 55 ARG H 3.100 . 4.400 4.341 4.178 4.405 0.005 19 0 "[ . 1 . 2]" 1
896 1 54 VAL H 1 54 VAL MG2 3.200 . 4.600 2.760 2.533 3.001 . 0 0 "[ . 1 . 2]" 1
897 1 54 VAL H 1 54 VAL HA 2.700 . 3.600 2.954 2.932 2.967 . 0 0 "[ . 1 . 2]" 1
898 1 54 VAL MG2 1 60 ALA H 3.600 . 5.400 4.395 3.934 4.856 . 0 0 "[ . 1 . 2]" 1
899 1 54 VAL MG1 1 58 THR H 3.600 . 5.400 3.761 3.382 4.065 . 0 0 "[ . 1 . 2]" 1
900 1 54 VAL HB 1 55 ARG H 3.100 . 4.400 4.082 3.950 4.247 . 0 0 "[ . 1 . 2]" 1
901 1 54 VAL MG1 1 55 ARG H 3.200 . 4.600 2.583 2.373 2.982 . 0 0 "[ . 1 . 2]" 1
902 1 54 VAL MG2 1 55 ARG H 3.600 . 5.400 4.018 3.797 4.216 . 0 0 "[ . 1 . 2]" 1
903 1 54 VAL MG1 1 60 ALA H 3.600 . 5.400 3.550 2.956 4.016 . 0 0 "[ . 1 . 2]" 1
904 1 55 ARG HB3 1 58 THR H 3.100 . 4.400 3.927 3.682 4.287 . 0 0 "[ . 1 . 2]" 1
905 1 55 ARG HG3 1 56 ILE H 3.100 . 4.400 3.006 2.284 3.868 . 0 0 "[ . 1 . 2]" 1
906 1 55 ARG HB3 1 56 ILE H 3.100 . 4.400 4.005 3.070 4.301 . 0 0 "[ . 1 . 2]" 1
907 1 55 ARG HD3 1 56 ILE H 3.100 . 4.400 4.119 2.601 4.547 0.147 7 0 "[ . 1 . 2]" 1
908 1 55 ARG H 1 58 THR MG 3.600 . 5.400 4.539 3.867 5.191 . 0 0 "[ . 1 . 2]" 1
909 1 55 ARG H 1 55 ARG HB3 2.700 . 3.600 2.525 2.282 3.557 . 0 0 "[ . 1 . 2]" 1
910 1 55 ARG H 1 56 ILE H 3.100 . 4.400 4.450 4.402 4.492 0.092 18 0 "[ . 1 . 2]" 1
911 1 55 ARG H 1 55 ARG HG3 3.100 . 4.400 4.371 4.060 4.449 0.049 19 0 "[ . 1 . 2]" 1
912 1 55 ARG HA 1 56 ILE H 2.700 . 3.600 2.112 2.044 2.256 . 0 0 "[ . 1 . 2]" 1
913 1 55 ARG H 1 55 ARG HA 2.700 . 3.600 2.829 2.790 2.881 . 0 0 "[ . 1 . 2]" 1
914 1 55 ARG H 1 55 ARG HD3 3.300 . 4.800 4.538 2.610 4.874 0.074 5 0 "[ . 1 . 2]" 1
915 1 56 ILE HA 1 58 THR H 2.700 . 3.600 3.305 3.069 3.557 . 0 0 "[ . 1 . 2]" 1
916 1 56 ILE MG 1 58 THR H 3.600 . 5.400 4.522 4.372 4.746 . 0 0 "[ . 1 . 2]" 1
917 1 56 ILE HG12 1 57 GLY H 3.300 . 4.800 4.622 4.043 4.881 0.081 11 0 "[ . 1 . 2]" 1
918 1 56 ILE H 1 56 ILE MG 3.600 . 5.400 3.806 3.766 3.885 . 0 0 "[ . 1 . 2]" 1
919 1 56 ILE H 1 56 ILE HG12 2.700 . 3.600 2.689 2.008 3.572 . 0 0 "[ . 1 . 2]" 1
920 1 56 ILE H 1 56 ILE HA 2.700 . 3.600 2.827 2.778 2.886 . 0 0 "[ . 1 . 2]" 1
921 1 56 ILE MD 1 75 ASP H 3.600 . 5.400 4.036 3.474 5.100 . 0 0 "[ . 1 . 2]" 1
922 1 56 ILE MD 1 76 GLN H 3.600 . 5.400 3.784 3.237 4.183 . 0 0 "[ . 1 . 2]" 1
923 1 56 ILE HA 1 57 GLY H 2.100 . 2.400 2.060 1.997 2.159 . 0 0 "[ . 1 . 2]" 1
924 1 56 ILE MD 1 57 GLY H 3.800 . 5.800 4.162 3.498 5.289 . 0 0 "[ . 1 . 2]" 1
925 1 56 ILE MD 1 97 TYR H 3.800 . 5.800 4.060 3.399 4.714 . 0 0 "[ . 1 . 2]" 1
926 1 56 ILE H 1 58 THR MG 3.800 . 5.800 5.390 4.884 5.899 0.099 19 0 "[ . 1 . 2]" 1
927 1 56 ILE MG 1 57 GLY H 3.200 . 4.600 2.811 2.616 3.111 . 0 0 "[ . 1 . 2]" 1
928 1 56 ILE MD 1 76 GLN QE 4.250 . 6.700 5.117 3.613 5.965 . 0 0 "[ . 1 . 2]" 1
929 1 56 ILE MG 1 76 GLN H 3.600 . 5.400 3.541 2.922 4.576 . 0 0 "[ . 1 . 2]" 1
930 1 56 ILE HB 1 57 GLY H 3.100 . 4.400 4.245 4.168 4.343 . 0 0 "[ . 1 . 2]" 1
931 1 56 ILE H 1 57 GLY H 3.300 . 4.800 4.430 4.230 4.525 . 0 0 "[ . 1 . 2]" 1
932 1 56 ILE H 1 56 ILE HB 2.300 . 2.800 2.528 2.464 2.692 . 0 0 "[ . 1 . 2]" 1
933 1 56 ILE H 1 56 ILE MD 3.600 . 5.400 3.524 3.193 3.851 . 0 0 "[ . 1 . 2]" 1
934 1 56 ILE MG 1 75 ASP H 3.200 . 4.600 3.806 3.002 4.607 0.007 17 0 "[ . 1 . 2]" 1
935 1 57 GLY H 1 74 LYS HA 3.100 . 4.400 3.760 3.033 4.450 0.050 7 0 "[ . 1 . 2]" 1
936 1 57 GLY H 1 73 ALA H 3.100 . 4.400 4.150 3.857 4.422 0.022 6 0 "[ . 1 . 2]" 1
937 1 57 GLY HA2 1 58 THR H 2.700 . 3.600 3.386 3.152 3.476 . 0 0 "[ . 1 . 2]" 1
938 1 57 GLY H 1 57 GLY HA3 2.700 . 3.600 2.932 2.910 2.948 . 0 0 "[ . 1 . 2]" 1
939 1 57 GLY H 1 58 THR H 2.300 . 2.800 2.326 2.072 2.578 . 0 0 "[ . 1 . 2]" 1
940 1 57 GLY HA3 1 58 THR H 2.700 . 3.600 3.164 3.021 3.374 . 0 0 "[ . 1 . 2]" 1
941 1 57 GLY H 1 58 THR MG 3.600 . 5.400 4.684 4.405 5.496 0.096 3 0 "[ . 1 . 2]" 1
942 1 57 GLY H 1 73 ALA MB 3.200 . 4.600 2.736 2.259 3.425 . 0 0 "[ . 1 . 2]" 1
943 1 57 GLY H 1 57 GLY HA2 2.700 . 3.600 2.411 2.350 2.506 . 0 0 "[ . 1 . 2]" 1
944 1 58 THR HB 1 59 THR H 2.300 . 2.800 2.391 2.074 2.940 0.140 3 0 "[ . 1 . 2]" 1
945 1 58 THR H 1 73 ALA H 3.100 . 4.400 3.993 3.588 4.215 . 0 0 "[ . 1 . 2]" 1
946 1 58 THR HA 1 59 THR H 2.000 . 2.200 2.264 2.239 2.309 0.109 14 0 "[ . 1 . 2]" 1
947 1 58 THR H 1 59 THR H 3.100 . 4.400 4.399 4.255 4.455 0.055 11 0 "[ . 1 . 2]" 1
948 1 58 THR H 1 73 ALA MB 3.200 . 4.600 3.070 2.619 3.573 . 0 0 "[ . 1 . 2]" 1
949 1 58 THR H 1 58 THR MG 3.200 . 4.600 2.934 2.603 3.815 . 0 0 "[ . 1 . 2]" 1
950 1 58 THR H 1 58 THR HA 2.700 . 3.600 2.945 2.927 2.972 . 0 0 "[ . 1 . 2]" 1
951 1 59 THR H 1 60 ALA H 3.100 . 4.400 4.404 4.356 4.426 0.026 4 0 "[ . 1 . 2]" 1
952 1 59 THR HA 1 60 ALA H 2.000 . 2.200 2.219 2.180 2.249 0.049 19 0 "[ . 1 . 2]" 1
953 1 59 THR MG 1 73 ALA H 3.600 . 5.400 3.867 3.340 4.298 . 0 0 "[ . 1 . 2]" 1
954 1 59 THR HB 1 71 VAL H 3.300 . 4.800 4.236 3.664 4.581 . 0 0 "[ . 1 . 2]" 1
955 1 59 THR HA 1 73 ALA H 2.700 . 3.600 2.956 2.711 3.171 . 0 0 "[ . 1 . 2]" 1
956 1 59 THR HB 1 60 ALA H 2.100 . 2.400 2.479 2.453 2.518 0.118 13 0 "[ . 1 . 2]" 1
957 1 59 THR H 1 59 THR MG 3.200 . 4.600 2.706 2.509 2.892 . 0 0 "[ . 1 . 2]" 1
958 1 59 THR H 1 59 THR HB 2.700 . 3.600 3.605 3.526 3.662 0.062 17 0 "[ . 1 . 2]" 1
959 1 59 THR H 1 59 THR HA 2.700 . 3.600 2.915 2.895 2.939 . 0 0 "[ . 1 . 2]" 1
960 1 59 THR MG 1 60 ALA H 3.200 . 4.600 3.580 3.426 3.687 . 0 0 "[ . 1 . 2]" 1
961 1 60 ALA H 1 60 ALA MB 3.200 . 4.600 2.752 2.623 2.836 . 0 0 "[ . 1 . 2]" 1
962 1 60 ALA H 1 70 GLU HG3 3.100 . 4.400 4.017 3.087 4.403 0.003 12 0 "[ . 1 . 2]" 1
963 1 60 ALA H 1 70 GLU HA 3.100 . 4.400 4.184 3.858 4.403 0.003 11 0 "[ . 1 . 2]" 1
964 1 60 ALA H 1 71 VAL MG1 3.800 . 5.800 4.801 4.576 5.162 . 0 0 "[ . 1 . 2]" 1
965 1 60 ALA H 1 71 VAL H 2.700 . 3.600 2.923 2.771 3.055 . 0 0 "[ . 1 . 2]" 1
966 1 60 ALA HA 1 61 THR H 2.000 . 2.200 2.203 2.107 2.233 0.033 20 0 "[ . 1 . 2]" 1
967 1 60 ALA MB 1 61 THR H 2.800 . 3.800 2.614 2.485 2.897 . 0 0 "[ . 1 . 2]" 1
968 1 60 ALA H 1 61 THR H 3.100 . 4.400 4.296 4.160 4.344 . 0 0 "[ . 1 . 2]" 1
969 1 60 ALA H 1 73 ALA H 3.100 . 4.400 4.462 4.409 4.506 0.106 18 0 "[ . 1 . 2]" 1
970 1 60 ALA H 1 60 ALA HA 2.700 . 3.600 2.905 2.886 2.934 . 0 0 "[ . 1 . 2]" 1
971 1 60 ALA H 1 71 VAL MG2 3.200 . 4.600 2.855 2.585 3.242 . 0 0 "[ . 1 . 2]" 1
972 1 61 THR HA 1 70 GLU H 3.300 . 4.800 4.428 4.093 4.677 . 0 0 "[ . 1 . 2]" 1
973 1 61 THR HB 1 62 ILE H 3.300 . 4.800 4.253 4.171 4.293 . 0 0 "[ . 1 . 2]" 1
974 1 61 THR HA 1 71 VAL H 3.100 . 4.400 3.312 3.040 3.577 . 0 0 "[ . 1 . 2]" 1
975 1 61 THR H 1 70 GLU QG 3.750 . 5.700 5.190 3.693 5.716 0.016 4 0 "[ . 1 . 2]" 1
976 1 61 THR HA 1 62 ILE H 2.000 . 2.200 2.150 2.056 2.206 0.006 6 0 "[ . 1 . 2]" 1
977 1 61 THR HA 1 69 PHE H 3.100 . 4.400 4.173 3.845 4.415 0.015 7 0 "[ . 1 . 2]" 1
978 1 61 THR H 1 71 VAL MG2 3.800 . 5.800 4.780 4.469 5.184 . 0 0 "[ . 1 . 2]" 1
979 1 61 THR H 1 61 THR HB 2.700 . 3.600 2.577 2.473 2.661 . 0 0 "[ . 1 . 2]" 1
980 1 61 THR H 1 61 THR HA 2.700 . 3.600 2.901 2.873 2.930 . 0 0 "[ . 1 . 2]" 1
981 1 61 THR H 1 61 THR MG 3.600 . 5.400 3.772 3.733 3.836 . 0 0 "[ . 1 . 2]" 1
982 1 61 THR H 1 62 ILE H 3.300 . 4.800 4.236 4.102 4.305 . 0 0 "[ . 1 . 2]" 1
983 1 62 ILE H 1 71 VAL MG1 3.800 . 5.800 3.495 3.165 4.088 . 0 0 "[ . 1 . 2]" 1
984 1 62 ILE H 1 62 ILE HA 2.700 . 3.600 2.941 2.927 2.957 . 0 0 "[ . 1 . 2]" 1
985 1 62 ILE MG 1 69 PHE H 3.800 . 5.800 4.330 4.108 4.540 . 0 0 "[ . 1 . 2]" 1
986 1 62 ILE MD 1 63 THR H 3.600 . 5.400 4.094 3.952 4.222 . 0 0 "[ . 1 . 2]" 1
987 1 62 ILE MD 1 69 PHE H 3.800 . 5.800 5.340 5.199 5.511 . 0 0 "[ . 1 . 2]" 1
988 1 62 ILE H 1 71 VAL MG2 3.800 . 5.800 3.612 3.448 3.795 . 0 0 "[ . 1 . 2]" 1
989 1 62 ILE H 1 69 PHE HB2 3.300 . 4.800 3.178 2.999 3.462 . 0 0 "[ . 1 . 2]" 1
990 1 62 ILE H 1 62 ILE HG13 2.700 . 3.600 3.625 3.604 3.638 0.038 8 0 "[ . 1 . 2]" 1
991 1 62 ILE H 1 62 ILE HB 2.700 . 3.600 2.634 2.560 2.689 . 0 0 "[ . 1 . 2]" 1
992 1 62 ILE HB 1 64 ALA H 3.300 . 4.800 4.755 4.552 4.822 0.022 11 0 "[ . 1 . 2]" 1
993 1 62 ILE HG12 1 69 PHE H 3.300 . 4.800 4.492 4.253 4.777 . 0 0 "[ . 1 . 2]" 1
994 1 62 ILE MG 1 64 ALA H 3.800 . 5.800 3.853 3.658 4.080 . 0 0 "[ . 1 . 2]" 1
995 1 62 ILE MG 1 63 THR H 3.600 . 5.400 2.328 2.259 2.488 . 0 0 "[ . 1 . 2]" 1
996 1 62 ILE HB 1 63 THR H 2.700 . 3.600 3.669 3.632 3.720 0.120 17 0 "[ . 1 . 2]" 1
997 1 62 ILE HA 1 63 THR H 2.000 . 2.200 2.230 2.204 2.256 0.056 5 0 "[ . 1 . 2]" 1
998 1 62 ILE H 1 62 ILE MD 3.800 . 5.800 3.175 3.071 3.259 . 0 0 "[ . 1 . 2]" 1
999 1 62 ILE H 1 62 ILE MG 3.600 . 5.400 3.801 3.773 3.823 . 0 0 "[ . 1 . 2]" 1
1000 1 62 ILE H 1 62 ILE HG12 3.100 . 4.400 2.117 2.076 2.158 . 0 0 "[ . 1 . 2]" 1
1001 1 62 ILE H 1 69 PHE HB3 3.300 . 4.800 4.498 4.347 4.707 . 0 0 "[ . 1 . 2]" 1
1002 1 62 ILE H 1 68 GLU HA 3.300 . 4.800 4.597 4.435 4.776 . 0 0 "[ . 1 . 2]" 1
1003 1 62 ILE H 1 70 GLU HA 3.100 . 4.400 3.372 2.906 3.577 . 0 0 "[ . 1 . 2]" 1
1004 1 62 ILE H 1 71 VAL H 3.100 . 4.400 3.720 3.513 3.852 . 0 0 "[ . 1 . 2]" 1
1005 1 62 ILE H 1 63 THR H 3.300 . 4.800 4.442 4.396 4.467 . 0 0 "[ . 1 . 2]" 1
1006 1 63 THR MG 1 64 ALA H 3.200 . 4.600 3.070 2.951 3.172 . 0 0 "[ . 1 . 2]" 1
1007 1 63 THR MG 1 67 HIS H 3.600 . 5.400 3.597 3.279 3.810 . 0 0 "[ . 1 . 2]" 1
1008 1 63 THR HA 1 67 HIS H 3.100 . 4.400 4.349 4.148 4.426 0.026 13 0 "[ . 1 . 2]" 1
1009 1 63 THR H 1 69 PHE H 3.300 . 4.800 4.740 4.671 4.804 0.004 10 0 "[ . 1 . 2]" 1
1010 1 63 THR H 1 64 ALA H 3.100 . 4.400 4.042 3.937 4.134 . 0 0 "[ . 1 . 2]" 1
1011 1 63 THR HA 1 69 PHE H 3.100 . 4.400 3.324 3.140 3.466 . 0 0 "[ . 1 . 2]" 1
1012 1 63 THR MG 1 66 GLY H 3.600 . 5.400 3.292 2.909 3.560 . 0 0 "[ . 1 . 2]" 1
1013 1 63 THR HA 1 64 ALA H 2.000 . 2.200 2.115 2.084 2.173 . 0 0 "[ . 1 . 2]" 1
1014 1 63 THR H 1 64 ALA MB 3.600 . 5.400 4.085 4.001 4.230 . 0 0 "[ . 1 . 2]" 1
1015 1 63 THR H 1 63 THR HB 2.700 . 3.600 2.803 2.742 2.982 . 0 0 "[ . 1 . 2]" 1
1016 1 63 THR H 1 63 THR HA 2.700 . 3.600 2.930 2.916 2.959 . 0 0 "[ . 1 . 2]" 1
1017 1 63 THR HB 1 64 ALA H 3.100 . 4.400 4.294 4.181 4.340 . 0 0 "[ . 1 . 2]" 1
1018 1 63 THR H 1 63 THR MG 3.600 . 5.400 3.927 3.900 4.002 . 0 0 "[ . 1 . 2]" 1
1019 1 64 ALA H 1 69 PHE QD 4.150 . 6.500 3.286 2.859 3.802 . 0 0 "[ . 1 . 2]" 1
1020 1 64 ALA MB 1 67 HIS H 3.600 . 5.400 4.216 4.115 4.298 . 0 0 "[ . 1 . 2]" 1
1021 1 64 ALA MB 1 65 ARG H 3.200 . 4.600 2.941 2.826 2.997 . 0 0 "[ . 1 . 2]" 1
1022 1 64 ALA H 1 67 HIS HB3 3.300 . 4.800 4.723 4.378 4.836 0.036 18 0 "[ . 1 . 2]" 1
1023 1 64 ALA H 1 67 HIS HB2 3.100 . 4.400 3.539 3.131 3.873 . 0 0 "[ . 1 . 2]" 1
1024 1 64 ALA H 1 64 ALA MB 3.200 . 4.600 2.603 2.526 2.664 . 0 0 "[ . 1 . 2]" 1
1025 1 64 ALA H 1 68 GLU HA 3.100 . 4.400 3.775 3.448 4.038 . 0 0 "[ . 1 . 2]" 1
1026 1 64 ALA H 1 69 PHE QE 4.150 . 6.500 2.799 2.426 3.176 . 0 0 "[ . 1 . 2]" 1
1027 1 64 ALA H 1 67 HIS H 2.700 . 3.600 3.022 2.870 3.143 . 0 0 "[ . 1 . 2]" 1
1028 1 64 ALA H 1 66 GLY H 3.100 . 4.400 3.920 3.816 4.058 . 0 0 "[ . 1 . 2]" 1
1029 1 65 ARG HB3 1 66 GLY H 3.100 . 4.400 4.384 4.331 4.415 0.015 15 0 "[ . 1 . 2]" 1
1030 1 65 ARG H 1 66 GLY H 2.700 . 3.600 2.564 2.462 2.684 . 0 0 "[ . 1 . 2]" 1
1031 1 65 ARG H 1 67 HIS H 3.100 . 4.400 4.101 4.012 4.185 . 0 0 "[ . 1 . 2]" 1
1032 1 65 ARG HB2 1 67 HIS H 3.300 . 4.800 3.462 3.241 3.876 . 0 0 "[ . 1 . 2]" 1
1033 1 65 ARG HG3 1 66 GLY H 3.300 . 4.800 4.809 4.623 4.879 0.079 19 0 "[ . 1 . 2]" 1
1034 1 65 ARG HB2 1 66 GLY H 3.300 . 4.800 4.008 3.943 4.114 . 0 0 "[ . 1 . 2]" 1
1035 1 65 ARG HA 1 67 HIS H 3.100 . 4.400 4.342 4.210 4.427 0.027 5 0 "[ . 1 . 2]" 1
1036 1 65 ARG HA 1 66 GLY H 2.300 . 2.800 2.834 2.810 2.853 0.053 13 0 "[ . 1 . 2]" 1
1037 1 65 ARG H 1 65 ARG HG3 3.100 . 4.400 2.996 2.694 3.193 . 0 0 "[ . 1 . 2]" 1
1038 1 65 ARG H 1 65 ARG HB2 3.300 . 4.800 3.589 3.492 3.673 . 0 0 "[ . 1 . 2]" 1
1039 1 65 ARG H 1 65 ARG HA 2.700 . 3.600 2.238 2.208 2.253 . 0 0 "[ . 1 . 2]" 1
1040 1 65 ARG H 1 65 ARG HG2 3.100 . 4.400 3.333 3.050 3.606 . 0 0 "[ . 1 . 2]" 1
1041 1 66 GLY HA3 1 67 HIS H 3.100 . 4.400 3.346 3.270 3.440 . 0 0 "[ . 1 . 2]" 1
1042 1 66 GLY HA2 1 67 HIS H 3.100 . 4.400 3.267 3.153 3.407 . 0 0 "[ . 1 . 2]" 1
1043 1 66 GLY H 1 67 HIS H 2.700 . 3.600 2.584 2.406 2.721 . 0 0 "[ . 1 . 2]" 1
1044 1 66 GLY H 1 66 GLY HA2 2.700 . 3.600 2.334 2.317 2.350 . 0 0 "[ . 1 . 2]" 1
1045 1 66 GLY H 1 66 GLY HA3 2.700 . 3.600 2.892 2.861 2.910 . 0 0 "[ . 1 . 2]" 1
1046 1 67 HIS H 1 69 PHE HZ 3.300 . 4.800 4.819 4.731 4.850 0.050 17 0 "[ . 1 . 2]" 1
1047 1 67 HIS HA 1 68 GLU H 2.000 . 2.200 2.153 2.110 2.216 0.016 10 0 "[ . 1 . 2]" 1
1048 1 67 HIS H 1 69 PHE QE 4.150 . 6.500 4.073 3.687 4.688 . 0 0 "[ . 1 . 2]" 1
1049 1 67 HIS H 1 67 HIS HD2 3.100 . 4.400 2.880 2.352 3.431 . 0 0 "[ . 1 . 2]" 1
1050 1 67 HIS HB3 1 68 GLU H 2.700 . 3.600 3.068 2.713 3.422 . 0 0 "[ . 1 . 2]" 1
1051 1 67 HIS HB2 1 68 GLU H 3.100 . 4.400 4.056 3.839 4.270 . 0 0 "[ . 1 . 2]" 1
1052 1 67 HIS H 1 67 HIS HB3 3.100 . 4.400 3.672 3.609 3.769 . 0 0 "[ . 1 . 2]" 1
1053 1 67 HIS H 1 67 HIS HB2 2.700 . 3.600 2.508 2.414 2.630 . 0 0 "[ . 1 . 2]" 1
1054 1 67 HIS H 1 68 GLU H 3.100 . 4.400 4.406 4.346 4.431 0.031 12 0 "[ . 1 . 2]" 1
1055 1 67 HIS H 1 67 HIS HA 2.700 . 3.600 2.919 2.882 2.957 . 0 0 "[ . 1 . 2]" 1
1056 1 68 GLU HB2 1 69 PHE H 3.100 . 4.400 4.184 3.355 4.327 . 0 0 "[ . 1 . 2]" 1
1057 1 68 GLU H 1 68 GLU HB2 2.700 . 3.600 2.482 2.327 3.499 . 0 0 "[ . 1 . 2]" 1
1058 1 68 GLU H 1 68 GLU HB3 2.700 . 3.600 3.605 3.402 3.647 0.047 13 0 "[ . 1 . 2]" 1
1059 1 68 GLU H 1 69 PHE QD 4.350 . 6.900 5.123 4.998 5.192 . 0 0 "[ . 1 . 2]" 1
1060 1 68 GLU HB3 1 69 PHE H 3.100 . 4.400 3.412 3.134 3.749 . 0 0 "[ . 1 . 2]" 1
1061 1 68 GLU QG 1 69 PHE H 3.550 . 5.300 4.206 3.997 4.746 . 0 0 "[ . 1 . 2]" 1
1062 1 68 GLU H 1 68 GLU HG3 2.700 . 3.600 2.701 2.122 3.686 0.086 9 0 "[ . 1 . 2]" 1
1063 1 68 GLU H 1 68 GLU HA 2.700 . 3.600 2.909 2.878 2.926 . 0 0 "[ . 1 . 2]" 1
1064 1 68 GLU H 1 69 PHE H 3.100 . 4.400 4.324 4.215 4.456 0.056 4 0 "[ . 1 . 2]" 1
1065 1 68 GLU HA 1 69 PHE H 2.000 . 2.200 2.136 2.066 2.189 . 0 0 "[ . 1 . 2]" 1
1066 1 69 PHE H 1 69 PHE QE 4.350 . 6.900 4.624 4.425 4.909 . 0 0 "[ . 1 . 2]" 1
1067 1 69 PHE HB3 1 70 GLU H 3.100 . 4.400 3.664 3.508 3.795 . 0 0 "[ . 1 . 2]" 1
1068 1 69 PHE HA 1 70 GLU H 2.000 . 2.200 2.205 2.169 2.242 0.042 5 0 "[ . 1 . 2]" 1
1069 1 69 PHE HB2 1 70 GLU H 3.100 . 4.400 4.288 4.192 4.353 . 0 0 "[ . 1 . 2]" 1
1070 1 69 PHE QD 1 70 GLU H 4.150 . 6.500 4.567 4.442 4.717 . 0 0 "[ . 1 . 2]" 1
1071 1 69 PHE H 1 70 GLU H 3.100 . 4.400 4.136 3.995 4.324 . 0 0 "[ . 1 . 2]" 1
1072 1 69 PHE H 1 69 PHE QD 3.750 . 5.700 2.803 2.553 3.103 . 0 0 "[ . 1 . 2]" 1
1073 1 69 PHE H 1 69 PHE HB3 2.700 . 3.600 3.666 3.634 3.710 0.110 4 0 "[ . 1 . 2]" 1
1074 1 69 PHE H 1 69 PHE HB2 3.100 . 4.400 2.551 2.482 2.603 . 0 0 "[ . 1 . 2]" 1
1075 1 69 PHE H 1 69 PHE HA 2.700 . 3.600 2.928 2.916 2.940 . 0 0 "[ . 1 . 2]" 1
1076 1 70 GLU HB3 1 83 THR H 3.100 . 4.400 3.462 3.172 3.793 . 0 0 "[ . 1 . 2]" 1
1077 1 70 GLU H 1 83 THR MG 3.800 . 5.800 5.188 4.800 5.844 0.044 17 0 "[ . 1 . 2]" 1
1078 1 70 GLU HB3 1 71 VAL H 3.100 . 4.400 4.258 4.170 4.319 . 0 0 "[ . 1 . 2]" 1
1079 1 70 GLU H 1 70 GLU HB2 2.700 . 3.600 2.631 2.432 2.917 . 0 0 "[ . 1 . 2]" 1
1080 1 70 GLU H 1 70 GLU HB3 2.700 . 3.600 2.558 2.458 2.659 . 0 0 "[ . 1 . 2]" 1
1081 1 70 GLU H 1 70 GLU QG 3.550 . 5.300 4.029 3.930 4.092 . 0 0 "[ . 1 . 2]" 1
1082 1 70 GLU H 1 70 GLU HA 2.700 . 3.600 2.905 2.892 2.920 . 0 0 "[ . 1 . 2]" 1
1083 1 70 GLU H 1 71 VAL H 3.100 . 4.400 4.244 4.197 4.310 . 0 0 "[ . 1 . 2]" 1
1084 1 70 GLU HB2 1 71 VAL H 3.100 . 4.400 4.405 4.274 4.466 0.066 16 0 "[ . 1 . 2]" 1
1085 1 70 GLU HA 1 71 VAL H 2.000 . 2.200 2.100 2.011 2.158 . 0 0 "[ . 1 . 2]" 1
1086 1 71 VAL HA 1 83 THR H 2.700 . 3.600 3.300 2.730 3.578 . 0 0 "[ . 1 . 2]" 1
1087 1 71 VAL MG2 1 72 GLU H 3.600 . 5.400 3.514 3.277 3.800 . 0 0 "[ . 1 . 2]" 1
1088 1 71 VAL MG1 1 72 GLU H 3.200 . 4.600 3.831 3.604 3.936 . 0 0 "[ . 1 . 2]" 1
1089 1 71 VAL MG2 1 81 ILE H 3.800 . 5.800 5.226 4.606 5.687 . 0 0 "[ . 1 . 2]" 1
1090 1 71 VAL HA 1 72 GLU H 2.000 . 2.200 2.230 2.112 2.268 0.068 4 0 "[ . 1 . 2]" 1
1091 1 71 VAL H 1 72 GLU H 3.100 . 4.400 4.424 4.384 4.453 0.053 9 0 "[ . 1 . 2]" 1
1092 1 71 VAL H 1 83 THR MG 3.800 . 5.800 4.306 3.671 4.928 . 0 0 "[ . 1 . 2]" 1
1093 1 71 VAL MG1 1 83 THR H 3.600 . 5.400 4.737 4.022 5.120 . 0 0 "[ . 1 . 2]" 1
1094 1 71 VAL MG1 1 81 ILE H 3.800 . 5.800 4.924 4.193 5.521 . 0 0 "[ . 1 . 2]" 1
1095 1 71 VAL QG 1 73 ALA H 4.400 . 7.000 3.649 3.375 3.905 . 0 0 "[ . 1 . 2]" 1
1096 1 71 VAL H 1 71 VAL MG2 3.200 . 4.600 2.160 2.038 2.284 . 0 0 "[ . 1 . 2]" 1
1097 1 71 VAL H 1 71 VAL MG1 3.200 . 4.600 2.637 2.472 2.932 . 0 0 "[ . 1 . 2]" 1
1098 1 71 VAL H 1 71 VAL HA 2.700 . 3.600 2.937 2.899 2.974 . 0 0 "[ . 1 . 2]" 1
1099 1 72 GLU H 1 83 THR H 3.100 . 4.400 4.280 4.068 4.466 0.066 12 0 "[ . 1 . 2]" 1
1100 1 72 GLU H 1 83 THR MG 3.600 . 5.400 3.869 3.283 4.265 . 0 0 "[ . 1 . 2]" 1
1101 1 72 GLU H 1 72 GLU HB2 2.700 . 3.600 3.042 2.781 3.699 0.099 9 0 "[ . 1 . 2]" 1
1102 1 72 GLU H 1 72 GLU HB3 2.700 . 3.600 2.634 2.367 3.155 . 0 0 "[ . 1 . 2]" 1
1103 1 72 GLU H 1 72 GLU HA 2.700 . 3.600 2.919 2.885 2.941 . 0 0 "[ . 1 . 2]" 1
1104 1 72 GLU HB3 1 73 ALA H 3.300 . 4.800 4.264 4.085 4.468 . 0 0 "[ . 1 . 2]" 1
1105 1 72 GLU H 1 82 LEU HA 3.100 . 4.400 2.749 2.335 3.319 . 0 0 "[ . 1 . 2]" 1
1106 1 72 GLU H 1 73 ALA H 3.100 . 4.400 4.192 4.023 4.335 . 0 0 "[ . 1 . 2]" 1
1107 1 72 GLU H 1 81 ILE H 3.300 . 4.800 3.524 3.209 3.941 . 0 0 "[ . 1 . 2]" 1
1108 1 72 GLU HB2 1 73 ALA H 3.100 . 4.400 4.265 3.353 4.423 0.023 19 0 "[ . 1 . 2]" 1
1109 1 72 GLU HG3 1 73 ALA H 3.100 . 4.400 3.566 3.084 4.486 0.086 9 0 "[ . 1 . 2]" 1
1110 1 72 GLU HA 1 73 ALA H 2.000 . 2.200 2.126 2.041 2.183 . 0 0 "[ . 1 . 2]" 1
1111 1 73 ALA H 1 74 LYS H 3.300 . 4.800 4.022 3.573 4.437 . 0 0 "[ . 1 . 2]" 1
1112 1 73 ALA H 1 73 ALA MB 3.200 . 4.600 2.318 2.251 2.389 . 0 0 "[ . 1 . 2]" 1
1113 1 74 LYS QB 1 75 ASP H 3.150 . 4.500 2.866 2.079 3.814 . 0 0 "[ . 1 . 2]" 1
1114 1 74 LYS HA 1 75 ASP H 3.100 . 4.400 3.520 3.454 3.598 . 0 0 "[ . 1 . 2]" 1
1115 1 74 LYS H 1 74 LYS HG3 3.100 . 4.400 3.081 1.933 3.736 . 0 0 "[ . 1 . 2]" 1
1116 1 74 LYS H 1 74 LYS HG2 2.700 . 3.600 2.213 1.862 3.012 . 0 0 "[ . 1 . 2]" 1
1117 1 74 LYS H 1 74 LYS HB3 2.700 . 3.600 3.247 2.662 3.634 0.034 9 0 "[ . 1 . 2]" 1
1118 1 74 LYS H 1 74 LYS HB2 2.700 . 3.600 3.023 2.179 3.665 0.065 12 0 "[ . 1 . 2]" 1
1119 1 74 LYS H 1 74 LYS HA 2.700 . 3.600 2.862 2.779 2.925 . 0 0 "[ . 1 . 2]" 1
1120 1 74 LYS H 1 75 ASP H 2.300 . 2.800 2.615 2.413 2.842 0.042 7 0 "[ . 1 . 2]" 1
1121 1 74 LYS HG2 1 75 ASP H 3.100 . 4.400 3.780 3.048 4.506 0.106 17 0 "[ . 1 . 2]" 1
1122 1 74 LYS HG3 1 75 ASP H 3.100 . 4.400 3.644 2.400 4.543 0.143 19 0 "[ . 1 . 2]" 1
1123 1 75 ASP H 1 75 ASP QB 3.150 . 4.500 2.567 2.308 2.993 . 0 0 "[ . 1 . 2]" 1
1124 1 75 ASP H 1 75 ASP HA 2.700 . 3.600 2.915 2.876 2.946 . 0 0 "[ . 1 . 2]" 1
1125 1 75 ASP H 1 76 GLN H 3.100 . 4.400 4.368 4.287 4.433 0.033 14 0 "[ . 1 . 2]" 1
1126 1 75 ASP HA 1 76 GLN H 2.300 . 2.800 2.315 2.114 2.640 . 0 0 "[ . 1 . 2]" 1
1127 1 75 ASP QB 1 76 GLN H 3.150 . 4.500 3.209 1.972 3.575 . 0 0 "[ . 1 . 2]" 1
1128 1 75 ASP H 1 77 ASN H 3.100 . 4.400 4.459 4.330 4.550 0.150 20 0 "[ . 1 . 2]" 1
1129 1 75 ASP H 1 78 CYS H 3.100 . 4.400 4.012 3.382 4.478 0.078 19 0 "[ . 1 . 2]" 1
1130 1 76 GLN HA 1 78 CYS H 3.100 . 4.400 3.251 2.837 3.579 . 0 0 "[ . 1 . 2]" 1
1131 1 76 GLN QB 1 77 ASN H 3.550 . 5.300 3.713 2.859 3.994 . 0 0 "[ . 1 . 2]" 1
1132 1 76 GLN HA 1 77 ASN H 3.100 . 4.400 3.318 3.119 3.480 . 0 0 "[ . 1 . 2]" 1
1133 1 76 GLN QB 1 78 CYS H 3.750 . 5.700 4.537 4.294 4.736 . 0 0 "[ . 1 . 2]" 1
1134 1 76 GLN H 1 77 ASN H 2.700 . 3.600 2.739 2.555 2.936 . 0 0 "[ . 1 . 2]" 1
1135 1 76 GLN H 1 76 GLN HA 2.700 . 3.600 2.824 2.777 2.872 . 0 0 "[ . 1 . 2]" 1
1136 1 76 GLN H 1 76 GLN HG3 2.700 . 3.600 2.529 1.792 3.439 0.008 11 0 "[ . 1 . 2]" 1
1137 1 76 GLN H 1 76 GLN HB3 2.700 . 3.600 2.900 2.479 3.607 0.007 10 0 "[ . 1 . 2]" 1
1138 1 76 GLN H 1 76 GLN HB2 2.700 . 3.600 3.367 2.402 3.638 0.038 5 0 "[ . 1 . 2]" 1
1139 1 76 GLN QG 1 77 ASN H 3.550 . 5.300 3.474 2.694 4.414 . 0 0 "[ . 1 . 2]" 1
1140 1 77 ASN H 1 77 ASN HB2 2.700 . 3.600 2.569 2.371 3.000 . 0 0 "[ . 1 . 2]" 1
1141 1 77 ASN H 1 77 ASN HB3 2.700 . 3.600 3.087 2.345 3.659 0.059 19 0 "[ . 1 . 2]" 1
1142 1 77 ASN HB2 1 78 CYS H 3.100 . 4.400 3.874 3.267 4.406 0.006 11 0 "[ . 1 . 2]" 1
1143 1 77 ASN HB3 1 78 CYS H 3.100 . 4.400 3.777 2.801 4.341 . 0 0 "[ . 1 . 2]" 1
1144 1 77 ASN HA 1 78 CYS H 3.100 . 4.400 3.217 3.016 3.448 . 0 0 "[ . 1 . 2]" 1
1145 1 77 ASN HA 1 77 ASN QD 3.750 . 5.700 3.311 1.892 4.135 . 0 0 "[ . 1 . 2]" 1
1146 1 77 ASN H 1 77 ASN HA 2.700 . 3.600 2.906 2.830 2.956 . 0 0 "[ . 1 . 2]" 1
1147 1 77 ASN H 1 79 LYS H 3.300 . 4.800 3.787 3.162 4.814 0.014 7 0 "[ . 1 . 2]" 1
1148 1 77 ASN H 1 78 CYS H 2.300 . 2.800 2.293 1.825 2.643 . 0 0 "[ . 1 . 2]" 1
1149 1 77 ASN HB2 1 77 ASN QD 3.150 . 4.500 2.473 2.103 3.307 . 0 0 "[ . 1 . 2]" 1
1150 1 77 ASN HB3 1 77 ASN QD 3.150 . 4.500 2.939 2.184 3.355 . 0 0 "[ . 1 . 2]" 1
1151 1 77 ASN H 1 77 ASN QD 3.550 . 5.300 3.734 2.381 4.700 . 0 0 "[ . 1 . 2]" 1
1152 1 78 CYS HA 1 79 LYS H 2.300 . 2.800 2.583 2.229 2.878 0.078 2 0 "[ . 1 . 2]" 1
1153 1 78 CYS H 1 78 CYS HB2 3.100 . 4.400 3.486 3.354 3.580 . 0 0 "[ . 1 . 2]" 1
1154 1 78 CYS H 1 78 CYS HB3 3.100 . 4.400 4.036 3.913 4.128 . 0 0 "[ . 1 . 2]" 1
1155 1 78 CYS HB2 1 79 LYS H 3.300 . 4.800 4.338 4.113 4.522 . 0 0 "[ . 1 . 2]" 1
1156 1 78 CYS HB3 1 79 LYS H 3.100 . 4.400 4.349 4.156 4.433 0.033 12 0 "[ . 1 . 2]" 1
1157 1 78 CYS H 1 79 LYS H 2.700 . 3.600 2.731 2.410 3.085 . 0 0 "[ . 1 . 2]" 1
1158 1 78 CYS H 1 78 CYS HA 2.300 . 2.800 2.185 2.158 2.222 . 0 0 "[ . 1 . 2]" 1
1159 1 79 LYS HG3 1 80 VAL H 3.100 . 4.400 4.018 3.537 4.435 0.035 4 0 "[ . 1 . 2]" 1
1160 1 79 LYS HD2 1 80 VAL H 3.100 . 4.400 4.350 3.761 4.568 0.168 17 0 "[ . 1 . 2]" 1
1161 1 79 LYS QB 1 80 VAL H 3.150 . 4.500 3.688 2.770 3.917 . 0 0 "[ . 1 . 2]" 1
1162 1 79 LYS H 1 81 ILE MD 3.600 . 5.400 5.016 3.828 5.447 0.047 14 0 "[ . 1 . 2]" 1
1163 1 79 LYS H 1 79 LYS QG 3.150 . 4.500 3.916 3.690 4.125 . 0 0 "[ . 1 . 2]" 1
1164 1 79 LYS H 1 79 LYS HD2 2.700 . 3.600 3.269 2.335 3.830 0.230 2 0 "[ . 1 . 2]" 1
1165 1 79 LYS H 1 79 LYS HE3 3.100 . 4.400 4.228 3.626 4.485 0.085 7 0 "[ . 1 . 2]" 1
1166 1 79 LYS QB 1 81 ILE H 3.750 . 5.700 4.632 4.076 5.262 . 0 0 "[ . 1 . 2]" 1
1167 1 79 LYS HA 1 80 VAL H 2.000 . 2.200 2.080 1.838 2.226 0.026 10 0 "[ . 1 . 2]" 1
1168 1 79 LYS H 1 80 VAL H 3.100 . 4.400 4.112 3.838 4.368 . 0 0 "[ . 1 . 2]" 1
1169 1 79 LYS H 1 79 LYS QB 3.150 . 4.500 2.120 2.029 2.274 . 0 0 "[ . 1 . 2]" 1
1170 1 79 LYS H 1 79 LYS HA 2.700 . 3.600 2.806 2.696 2.928 . 0 0 "[ . 1 . 2]" 1
1171 1 80 VAL H 1 80 VAL MG2 3.600 . 5.400 3.786 3.726 3.871 . 0 0 "[ . 1 . 2]" 1
1172 1 80 VAL H 1 81 ILE H 3.100 . 4.400 4.204 4.036 4.397 . 0 0 "[ . 1 . 2]" 1
1173 1 80 VAL MG2 1 82 LEU H 3.800 . 5.800 4.199 3.746 4.728 . 0 0 "[ . 1 . 2]" 1
1174 1 80 VAL H 1 80 VAL MG1 3.200 . 4.600 1.961 1.844 2.088 . 0 0 "[ . 1 . 2]" 1
1175 1 80 VAL H 1 80 VAL HB 2.700 . 3.600 2.836 2.615 3.037 . 0 0 "[ . 1 . 2]" 1
1176 1 80 VAL QG 1 88 ALA H 4.200 . 6.600 3.293 2.201 4.384 . 0 0 "[ . 1 . 2]" 1
1177 1 80 VAL MG2 1 81 ILE H 3.200 . 4.600 3.141 2.718 3.368 . 0 0 "[ . 1 . 2]" 1
1178 1 80 VAL HA 1 81 ILE H 2.300 . 2.800 2.042 1.987 2.081 . 0 0 "[ . 1 . 2]" 1
1179 1 81 ILE H 1 81 ILE HG13 3.100 . 4.400 3.399 2.690 4.063 . 0 0 "[ . 1 . 2]" 1
1180 1 81 ILE H 1 82 LEU H 3.100 . 4.400 4.256 4.138 4.360 . 0 0 "[ . 1 . 2]" 1
1181 1 81 ILE HA 1 82 LEU H 2.000 . 2.200 2.144 2.045 2.236 0.036 6 0 "[ . 1 . 2]" 1
1182 1 81 ILE HG13 1 82 LEU H 3.300 . 4.800 4.541 4.051 4.873 0.073 4 0 "[ . 1 . 2]" 1
1183 1 81 ILE H 1 81 ILE MD 3.600 . 5.400 3.286 2.477 4.175 . 0 0 "[ . 1 . 2]" 1
1184 1 81 ILE H 1 81 ILE HB 2.700 . 3.600 2.623 2.532 2.721 . 0 0 "[ . 1 . 2]" 1
1185 1 82 LEU QD 1 86 LYS H 4.250 . 6.700 3.551 3.231 3.797 . 0 0 "[ . 1 . 2]" 1
1186 1 82 LEU QD 1 85 GLY H 4.450 . 7.100 4.555 4.265 4.813 . 0 0 "[ . 1 . 2]" 1
1187 1 82 LEU HB3 1 85 GLY H 3.100 . 4.400 4.063 3.408 4.415 0.015 6 0 "[ . 1 . 2]" 1
1188 1 82 LEU HB2 1 85 GLY H 3.100 . 4.400 3.365 2.824 3.850 . 0 0 "[ . 1 . 2]" 1
1189 1 82 LEU HB2 1 84 ASN H 3.100 . 4.400 2.858 2.100 3.484 . 0 0 "[ . 1 . 2]" 1
1190 1 82 LEU HA 1 84 ASN H 3.100 . 4.400 3.999 3.677 4.380 . 0 0 "[ . 1 . 2]" 1
1191 1 82 LEU MD1 1 83 THR H 3.600 . 5.400 4.291 3.941 4.555 . 0 0 "[ . 1 . 2]" 1
1192 1 82 LEU HB2 1 83 THR H 2.700 . 3.600 3.301 2.792 3.641 0.041 18 0 "[ . 1 . 2]" 1
1193 1 82 LEU H 1 82 LEU HG 3.100 . 4.400 3.064 2.057 4.281 . 0 0 "[ . 1 . 2]" 1
1194 1 82 LEU H 1 88 ALA MB 3.800 . 5.800 4.458 3.529 5.152 . 0 0 "[ . 1 . 2]" 1
1195 1 82 LEU H 1 83 THR H 3.100 . 4.400 4.410 4.323 4.458 0.058 5 0 "[ . 1 . 2]" 1
1196 1 82 LEU H 1 82 LEU QD 3.850 . 5.900 2.619 2.183 3.166 . 0 0 "[ . 1 . 2]" 1
1197 1 82 LEU H 1 86 LYS H 3.300 . 4.800 3.263 3.074 3.507 . 0 0 "[ . 1 . 2]" 1
1198 1 82 LEU H 1 82 LEU HA 2.700 . 3.600 2.876 2.820 2.931 . 0 0 "[ . 1 . 2]" 1
1199 1 82 LEU H 1 82 LEU HB2 2.700 . 3.600 2.457 2.246 2.755 . 0 0 "[ . 1 . 2]" 1
1200 1 82 LEU H 1 82 LEU HB3 2.700 . 3.600 3.600 3.542 3.645 0.045 15 0 "[ . 1 . 2]" 1
1201 1 82 LEU H 1 85 GLY H 3.300 . 4.800 4.106 3.869 4.300 . 0 0 "[ . 1 . 2]" 1
1202 1 82 LEU QD 1 84 ASN QD 4.650 . 7.500 2.944 2.128 3.861 . 0 0 "[ . 1 . 2]" 1
1203 1 82 LEU QD 1 84 ASN H 4.250 . 6.700 3.729 3.429 4.259 . 0 0 "[ . 1 . 2]" 1
1204 1 82 LEU HB3 1 84 ASN H 2.700 . 3.600 2.508 2.048 3.006 . 0 0 "[ . 1 . 2]" 1
1205 1 82 LEU HA 1 83 THR H 2.100 . 2.400 2.316 2.195 2.442 0.042 10 0 "[ . 1 . 2]" 1
1206 1 82 LEU MD2 1 83 THR H 3.200 . 4.600 3.789 3.202 4.152 . 0 0 "[ . 1 . 2]" 1
1207 1 82 LEU HG 1 83 THR H 3.100 . 4.400 4.141 3.553 4.602 0.202 13 0 "[ . 1 . 2]" 1
1208 1 82 LEU HB3 1 83 THR H 2.700 . 3.600 2.176 1.869 2.389 . 0 0 "[ . 1 . 2]" 1
1209 1 82 LEU HG 1 84 ASN QD 3.550 . 5.300 4.976 3.695 5.359 0.059 9 0 "[ . 1 . 2]" 1
1210 1 82 LEU H 1 84 ASN H 3.300 . 4.800 4.672 4.446 4.830 0.030 8 0 "[ . 1 . 2]" 1
1211 1 82 LEU QD 1 88 ALA H 4.250 . 6.700 3.121 2.030 4.248 . 0 0 "[ . 1 . 2]" 1
1212 1 82 LEU QD 1 87 GLN H 4.450 . 7.100 4.282 3.828 4.798 . 0 0 "[ . 1 . 2]" 1
1213 1 82 LEU HB2 1 86 LYS H 3.100 . 4.400 2.488 2.104 2.702 . 0 0 "[ . 1 . 2]" 1
1214 1 83 THR HB 1 84 ASN H 3.100 . 4.400 3.852 3.681 4.122 . 0 0 "[ . 1 . 2]" 1
1215 1 83 THR H 1 83 THR HB 3.100 . 4.400 3.558 3.474 3.636 . 0 0 "[ . 1 . 2]" 1
1216 1 83 THR H 1 85 GLY H 3.300 . 4.800 3.985 3.805 4.185 . 0 0 "[ . 1 . 2]" 1
1217 1 83 THR MG 1 85 GLY H 3.800 . 5.800 4.990 4.896 5.148 . 0 0 "[ . 1 . 2]" 1
1218 1 83 THR H 1 86 LYS H 3.300 . 4.800 4.874 4.810 4.939 0.139 19 0 "[ . 1 . 2]" 1
1219 1 83 THR H 1 84 ASN H 2.700 . 3.600 2.421 2.145 2.869 . 0 0 "[ . 1 . 2]" 1
1220 1 83 THR MG 1 84 ASN H 3.600 . 5.400 4.063 3.808 4.309 . 0 0 "[ . 1 . 2]" 1
1221 1 83 THR HA 1 84 ASN H 2.700 . 3.600 3.350 3.191 3.448 . 0 0 "[ . 1 . 2]" 1
1222 1 83 THR H 1 83 THR MG 2.800 . 3.800 2.427 2.190 2.646 . 0 0 "[ . 1 . 2]" 1
1223 1 83 THR H 1 83 THR HA 2.700 . 3.600 2.857 2.800 2.897 . 0 0 "[ . 1 . 2]" 1
1224 1 84 ASN HA 1 85 GLY H 3.100 . 4.400 3.317 3.205 3.430 . 0 0 "[ . 1 . 2]" 1
1225 1 84 ASN H 1 86 LYS H 3.100 . 4.400 3.401 3.043 3.662 . 0 0 "[ . 1 . 2]" 1
1226 1 84 ASN QD 1 86 LYS H 3.750 . 5.700 4.603 3.299 5.165 . 0 0 "[ . 1 . 2]" 1
1227 1 84 ASN HB3 1 86 LYS H 3.300 . 4.800 4.283 3.805 4.816 0.016 1 0 "[ . 1 . 2]" 1
1228 1 84 ASN HA 1 84 ASN QD 3.550 . 5.300 3.759 2.563 4.344 . 0 0 "[ . 1 . 2]" 1
1229 1 84 ASN QD 1 86 LYS QG 3.950 . 6.100 3.820 2.060 5.305 . 0 0 "[ . 1 . 2]" 1
1230 1 84 ASN HB2 1 85 GLY H 3.300 . 4.800 3.607 3.176 4.443 . 0 0 "[ . 1 . 2]" 1
1231 1 84 ASN HB3 1 85 GLY H 3.300 . 4.800 4.256 4.142 4.434 . 0 0 "[ . 1 . 2]" 1
1232 1 84 ASN H 1 85 GLY H 2.300 . 2.800 2.461 2.277 2.591 . 0 0 "[ . 1 . 2]" 1
1233 1 84 ASN H 1 84 ASN QD 3.750 . 5.700 2.853 1.893 4.082 . 0 0 "[ . 1 . 2]" 1
1234 1 84 ASN H 1 84 ASN HA 2.700 . 3.600 2.886 2.840 2.926 . 0 0 "[ . 1 . 2]" 1
1235 1 84 ASN H 1 84 ASN HB2 2.700 . 3.600 2.658 2.395 3.709 0.109 1 0 "[ . 1 . 2]" 1
1236 1 84 ASN H 1 84 ASN HB3 3.100 . 4.400 3.514 2.661 3.693 . 0 0 "[ . 1 . 2]" 1
1237 1 84 ASN HB2 1 84 ASN QD 3.150 . 4.500 2.391 2.170 3.290 . 0 0 "[ . 1 . 2]" 1
1238 1 84 ASN HB3 1 84 ASN QD 3.150 . 4.500 3.014 2.196 3.385 . 0 0 "[ . 1 . 2]" 1
1239 1 84 ASN QD 1 86 LYS QB 3.950 . 6.100 4.084 2.249 5.705 . 0 0 "[ . 1 . 2]" 1
1240 1 85 GLY HA3 1 86 LYS H 3.100 . 4.400 3.383 3.262 3.446 . 0 0 "[ . 1 . 2]" 1
1241 1 85 GLY HA2 1 86 LYS H 3.100 . 4.400 3.068 2.944 3.217 . 0 0 "[ . 1 . 2]" 1
1242 1 85 GLY H 1 86 LYS HG2 3.300 . 4.800 4.123 3.824 4.521 . 0 0 "[ . 1 . 2]" 1
1243 1 85 GLY H 1 86 LYS H 2.300 . 2.800 2.235 2.162 2.319 . 0 0 "[ . 1 . 2]" 1
1244 1 85 GLY H 1 86 LYS HA 3.300 . 4.800 4.884 4.849 4.922 0.122 15 0 "[ . 1 . 2]" 1
1245 1 85 GLY H 1 85 GLY HA3 2.700 . 3.600 2.891 2.861 2.913 . 0 0 "[ . 1 . 2]" 1
1246 1 85 GLY H 1 85 GLY HA2 2.700 . 3.600 2.302 2.269 2.348 . 0 0 "[ . 1 . 2]" 1
1247 1 86 LYS QB 1 87 GLN H 2.750 . 3.700 2.706 2.405 2.971 . 0 0 "[ . 1 . 2]" 1
1248 1 86 LYS HA 1 87 GLN H 2.000 . 2.200 2.233 2.147 2.307 0.107 15 0 "[ . 1 . 2]" 1
1249 1 86 LYS H 1 86 LYS HG2 2.700 . 3.600 2.664 2.479 2.794 . 0 0 "[ . 1 . 2]" 1
1250 1 86 LYS H 1 86 LYS HD3 3.100 . 4.400 3.812 3.641 4.000 . 0 0 "[ . 1 . 2]" 1
1251 1 86 LYS H 1 86 LYS HA 2.700 . 3.600 2.894 2.847 2.928 . 0 0 "[ . 1 . 2]" 1
1252 1 86 LYS H 1 86 LYS HE3 3.300 . 4.800 4.756 4.460 4.840 0.040 1 0 "[ . 1 . 2]" 1
1253 1 86 LYS QD 1 87 GLN H 3.550 . 5.300 3.596 3.042 3.877 . 0 0 "[ . 1 . 2]" 1
1254 1 86 LYS QG 1 87 GLN H 3.550 . 5.300 4.461 4.165 4.671 . 0 0 "[ . 1 . 2]" 1
1255 1 86 LYS H 1 87 GLN H 3.100 . 4.400 4.418 4.366 4.479 0.079 1 0 "[ . 1 . 2]" 1
1256 1 86 LYS H 1 86 LYS HB3 2.700 . 3.600 3.651 3.604 3.687 0.087 16 0 "[ . 1 . 2]" 1
1257 1 87 GLN HA 1 87 GLN QE 3.750 . 5.700 4.381 3.880 4.788 . 0 0 "[ . 1 . 2]" 1
1258 1 87 GLN H 1 87 GLN HB2 2.300 . 2.800 2.494 2.369 2.759 . 0 0 "[ . 1 . 2]" 1
1259 1 87 GLN QB 1 88 ALA H 3.150 . 4.500 3.111 2.015 3.869 . 0 0 "[ . 1 . 2]" 1
1260 1 87 GLN QG 1 88 ALA H 3.150 . 4.500 3.895 2.402 4.508 0.008 19 0 "[ . 1 . 2]" 1
1261 1 87 GLN HA 1 88 ALA H 2.300 . 2.800 2.480 2.092 2.837 0.037 8 0 "[ . 1 . 2]" 1
1262 1 87 GLN H 1 87 GLN HG3 3.100 . 4.400 3.089 2.254 4.476 0.076 17 0 "[ . 1 . 2]" 1
1263 1 87 GLN H 1 87 GLN HA 2.700 . 3.600 2.887 2.827 2.937 . 0 0 "[ . 1 . 2]" 1
1264 1 87 GLN H 1 88 ALA H 3.100 . 4.400 3.790 2.509 4.490 0.090 4 0 "[ . 1 . 2]" 1
1265 1 88 ALA H 1 89 PRO HD3 3.300 . 4.800 4.524 3.727 4.933 0.133 9 0 "[ . 1 . 2]" 1
1266 1 88 ALA H 1 89 PRO HD2 3.300 . 4.800 4.758 4.220 4.916 0.116 7 0 "[ . 1 . 2]" 1
1267 1 88 ALA H 1 88 ALA MB 2.800 . 3.800 2.498 2.153 2.996 . 0 0 "[ . 1 . 2]" 1
1268 1 89 PRO HG3 1 91 TRP HE1 3.300 . 4.800 3.799 3.164 4.327 . 0 0 "[ . 1 . 2]" 1
1269 1 89 PRO HG2 1 91 TRP HE1 3.300 . 4.800 3.937 3.353 4.574 . 0 0 "[ . 1 . 2]" 1
1270 1 89 PRO QG 1 92 LEU H 3.550 . 5.300 4.066 2.857 4.663 . 0 0 "[ . 1 . 2]" 1
1271 1 89 PRO HB3 1 92 LEU H 3.300 . 4.800 4.331 3.802 4.838 0.038 2 0 "[ . 1 . 2]" 1
1272 1 89 PRO HB2 1 91 TRP HE1 3.100 . 4.400 3.337 2.598 4.129 . 0 0 "[ . 1 . 2]" 1
1273 1 89 PRO HB3 1 91 TRP HE1 2.700 . 3.600 2.660 2.461 2.973 . 0 0 "[ . 1 . 2]" 1
1274 1 89 PRO HB2 1 92 LEU H 3.100 . 4.400 2.808 2.396 3.285 . 0 0 "[ . 1 . 2]" 1
1275 1 89 PRO HB2 1 91 TRP H 2.700 . 3.600 2.860 2.322 3.234 . 0 0 "[ . 1 . 2]" 1
1276 1 89 PRO HB3 1 91 TRP H 3.100 . 4.400 3.602 3.112 4.319 . 0 0 "[ . 1 . 2]" 1
1277 1 89 PRO HB2 1 90 ASP H 3.100 . 4.400 3.354 2.815 3.662 . 0 0 "[ . 1 . 2]" 1
1278 1 89 PRO HB3 1 90 ASP H 2.700 . 3.600 3.237 2.938 3.608 0.008 18 0 "[ . 1 . 2]" 1
1279 1 90 ASP HA 1 91 TRP H 2.700 . 3.600 3.431 3.320 3.488 . 0 0 "[ . 1 . 2]" 1
1280 1 90 ASP H 1 92 LEU H 3.300 . 4.800 4.063 3.879 4.245 . 0 0 "[ . 1 . 2]" 1
1281 1 90 ASP H 1 90 ASP HA 2.300 . 2.800 2.811 2.745 2.838 0.038 13 0 "[ . 1 . 2]" 1
1282 1 90 ASP HA 1 92 LEU H 3.100 . 4.400 3.791 3.521 4.171 . 0 0 "[ . 1 . 2]" 1
1283 1 90 ASP QB 1 91 TRP H 3.550 . 5.300 2.935 2.444 3.813 . 0 0 "[ . 1 . 2]" 1
1284 1 90 ASP H 1 90 ASP HB3 2.700 . 3.600 2.880 2.431 3.614 0.014 6 0 "[ . 1 . 2]" 1
1285 1 90 ASP H 1 91 TRP H 2.700 . 3.600 2.594 2.415 2.799 . 0 0 "[ . 1 . 2]" 1
1286 1 91 TRP HD1 1 92 LEU H 3.300 . 4.800 4.630 4.319 4.820 0.020 10 0 "[ . 1 . 2]" 1
1287 1 91 TRP HE3 1 93 ALA H 3.300 . 4.800 4.728 4.530 4.874 0.074 9 0 "[ . 1 . 2]" 1
1288 1 91 TRP HE3 1 92 LEU H 3.100 . 4.400 4.101 3.874 4.311 . 0 0 "[ . 1 . 2]" 1
1289 1 91 TRP HB2 1 92 LEU H 3.300 . 4.800 4.211 4.097 4.295 . 0 0 "[ . 1 . 2]" 1
1290 1 91 TRP HB3 1 92 LEU H 3.300 . 4.800 4.371 4.295 4.464 . 0 0 "[ . 1 . 2]" 1
1291 1 91 TRP HA 1 92 LEU H 3.100 . 4.400 3.351 3.255 3.462 . 0 0 "[ . 1 . 2]" 1
1292 1 91 TRP H 1 91 TRP HE1 3.100 . 4.400 4.264 4.116 4.408 0.008 17 0 "[ . 1 . 2]" 1
1293 1 91 TRP H 1 91 TRP HD1 2.700 . 3.600 2.552 2.299 2.790 . 0 0 "[ . 1 . 2]" 1
1294 1 91 TRP H 1 92 LEU H 2.300 . 2.800 2.497 2.151 2.625 . 0 0 "[ . 1 . 2]" 1
1295 1 91 TRP H 1 91 TRP HB2 2.700 . 3.600 3.617 3.570 3.647 0.047 2 0 "[ . 1 . 2]" 1
1296 1 91 TRP H 1 91 TRP HB3 3.100 . 4.400 2.764 2.644 2.979 . 0 0 "[ . 1 . 2]" 1
1297 1 91 TRP H 1 91 TRP HA 2.700 . 3.600 2.864 2.829 2.909 . 0 0 "[ . 1 . 2]" 1
1298 1 92 LEU HA 1 93 ALA H 2.000 . 2.200 2.128 2.094 2.201 0.001 10 0 "[ . 1 . 2]" 1
1299 1 92 LEU HG 1 93 ALA H 3.100 . 4.400 3.498 3.103 3.715 . 0 0 "[ . 1 . 2]" 1
1300 1 92 LEU H 1 92 LEU HG 3.100 . 4.400 4.422 4.403 4.444 0.044 7 0 "[ . 1 . 2]" 1
1301 1 92 LEU HB2 1 93 ALA H 3.100 . 4.400 4.370 4.234 4.451 0.051 7 0 "[ . 1 . 2]" 1
1302 1 92 LEU MD1 1 93 ALA H 3.200 . 4.600 2.670 2.467 2.892 . 0 0 "[ . 1 . 2]" 1
1303 1 92 LEU HB3 1 93 ALA H 3.300 . 4.800 4.279 4.136 4.339 . 0 0 "[ . 1 . 2]" 1
1304 1 92 LEU H 1 92 LEU HB3 2.700 . 3.600 2.480 2.441 2.535 . 0 0 "[ . 1 . 2]" 1
1305 1 92 LEU H 1 92 LEU MD1 3.600 . 5.400 4.212 4.176 4.246 . 0 0 "[ . 1 . 2]" 1
1306 1 92 LEU H 1 92 LEU HB2 2.700 . 3.600 2.753 2.693 2.856 . 0 0 "[ . 1 . 2]" 1
1307 1 92 LEU H 1 92 LEU HA 2.700 . 3.600 2.897 2.885 2.913 . 0 0 "[ . 1 . 2]" 1
1308 1 92 LEU H 1 93 ALA H 3.100 . 4.400 4.283 4.136 4.420 0.020 12 0 "[ . 1 . 2]" 1
1309 1 93 ALA MB 1 94 ALA H 3.200 . 4.600 2.756 2.553 3.090 . 0 0 "[ . 1 . 2]" 1
1310 1 93 ALA HA 1 94 ALA H 2.000 . 2.200 2.175 2.081 2.218 0.018 10 0 "[ . 1 . 2]" 1
1311 1 93 ALA H 1 94 ALA H 3.100 . 4.400 4.427 4.380 4.451 0.051 3 0 "[ . 1 . 2]" 1
1312 1 93 ALA MB 1 95 GLU H 3.800 . 5.800 4.884 4.713 5.088 . 0 0 "[ . 1 . 2]" 1
1313 1 93 ALA H 1 93 ALA HA 2.700 . 3.600 2.931 2.908 2.953 . 0 0 "[ . 1 . 2]" 1
1314 1 93 ALA H 1 93 ALA MB 3.200 . 4.600 2.384 2.322 2.485 . 0 0 "[ . 1 . 2]" 1
1315 1 94 ALA H 1 94 ALA MB 3.200 . 4.600 2.547 2.332 2.709 . 0 0 "[ . 1 . 2]" 1
1316 1 94 ALA H 1 94 ALA HA 2.700 . 3.600 2.919 2.895 2.946 . 0 0 "[ . 1 . 2]" 1
1317 1 94 ALA HA 1 95 GLU H 2.000 . 2.200 2.147 2.101 2.195 . 0 0 "[ . 1 . 2]" 1
1318 1 94 ALA MB 1 95 GLU H 3.200 . 4.600 3.029 2.858 3.097 . 0 0 "[ . 1 . 2]" 1
1319 1 94 ALA H 1 95 GLU H 3.100 . 4.400 4.227 4.107 4.362 . 0 0 "[ . 1 . 2]" 1
1320 1 95 GLU H 1 96 PRO HD2 3.300 . 4.800 4.734 4.660 4.911 0.111 9 0 "[ . 1 . 2]" 1
1321 1 95 GLU H 1 96 PRO HD3 3.300 . 4.800 4.802 4.237 4.912 0.112 12 0 "[ . 1 . 2]" 1
1322 1 95 GLU H 1 95 GLU HB2 3.100 . 4.400 2.990 2.439 3.895 . 0 0 "[ . 1 . 2]" 1
1323 1 95 GLU H 1 95 GLU HB3 3.100 . 4.400 3.606 3.114 3.852 . 0 0 "[ . 1 . 2]" 1
1324 1 95 GLU H 1 95 GLU HG3 3.100 . 4.400 3.229 2.793 4.221 . 0 0 "[ . 1 . 2]" 1
1325 1 95 GLU H 1 95 GLU HA 2.700 . 3.600 2.916 2.862 2.942 . 0 0 "[ . 1 . 2]" 1
1326 1 96 PRO HA 1 97 TYR H 2.000 . 2.200 2.160 2.068 2.205 0.005 7 0 "[ . 1 . 2]" 1
1327 1 96 PRO QG 1 97 TYR H 3.750 . 5.700 4.640 4.513 4.760 . 0 0 "[ . 1 . 2]" 1
1328 1 96 PRO HB3 1 97 TYR H 3.100 . 4.400 3.956 3.498 4.198 . 0 0 "[ . 1 . 2]" 1
1329 1 96 PRO HB2 1 97 TYR H 3.100 . 4.400 3.589 3.282 4.070 . 0 0 "[ . 1 . 2]" 1
1330 1 97 TYR H 1 97 TYR HA 2.700 . 3.600 2.880 2.828 2.923 . 0 0 "[ . 1 . 2]" 1
1331 1 97 TYR H 1 97 TYR HB2 3.100 . 4.400 2.931 2.675 3.146 . 0 0 "[ . 1 . 2]" 1
1332 1 97 TYR H 1 97 TYR HB3 2.700 . 3.600 2.580 2.457 2.805 . 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 40
_Distance_constraint_stats_list.Viol_count 211
_Distance_constraint_stats_list.Viol_total 101.963
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0242
_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 35 ARG 0.068 0.047 5 0 "[ . 1 . 2]"
1 36 PHE 0.411 0.075 18 0 "[ . 1 . 2]"
1 37 CYS 0.145 0.035 17 0 "[ . 1 . 2]"
1 38 VAL 0.385 0.041 5 0 "[ . 1 . 2]"
1 39 TYR 0.071 0.023 12 0 "[ . 1 . 2]"
1 40 TYR 0.225 0.038 9 0 "[ . 1 . 2]"
1 41 ASP 0.643 0.064 17 0 "[ . 1 . 2]"
1 42 GLY 0.219 0.050 1 0 "[ . 1 . 2]"
1 49 VAL 0.643 0.064 17 0 "[ . 1 . 2]"
1 52 MET 0.071 0.023 12 0 "[ . 1 . 2]"
1 54 VAL 0.145 0.035 17 0 "[ . 1 . 2]"
1 55 ARG 0.733 0.082 1 0 "[ . 1 . 2]"
1 56 ILE 0.068 0.047 5 0 "[ . 1 . 2]"
1 57 GLY 0.528 0.076 15 0 "[ . 1 . 2]"
1 58 THR 1.375 0.082 1 0 "[ . 1 . 2]"
1 60 ALA 0.055 0.017 19 0 "[ . 1 . 2]"
1 62 ILE 0.792 0.062 2 0 "[ . 1 . 2]"
1 64 ALA 0.040 0.016 19 0 "[ . 1 . 2]"
1 67 HIS 0.040 0.016 19 0 "[ . 1 . 2]"
1 69 PHE 0.792 0.062 2 0 "[ . 1 . 2]"
1 71 VAL 0.055 0.017 19 0 "[ . 1 . 2]"
1 72 GLU 0.140 0.053 19 0 "[ . 1 . 2]"
1 73 ALA 1.170 0.076 15 0 "[ . 1 . 2]"
1 81 ILE 0.140 0.053 19 0 "[ . 1 . 2]"
1 91 TRP 0.219 0.050 1 0 "[ . 1 . 2]"
1 93 ALA 0.225 0.038 9 0 "[ . 1 . 2]"
1 95 GLU 0.385 0.041 5 0 "[ . 1 . 2]"
1 97 TYR 0.411 0.075 18 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 37 CYS H 1 54 VAL O 1.900 . 2.000 1.852 1.765 2.023 0.035 17 0 "[ . 1 . 2]" 2
2 1 37 CYS N 1 54 VAL O 2.400 . 3.000 2.750 2.649 2.883 . 0 0 "[ . 1 . 2]" 2
3 1 38 VAL H 1 95 GLU O 1.900 . 2.000 1.797 1.759 1.874 0.041 5 0 "[ . 1 . 2]" 2
4 1 38 VAL N 1 95 GLU O 2.400 . 3.000 2.771 2.739 2.841 . 0 0 "[ . 1 . 2]" 2
5 1 39 TYR H 1 52 MET O 1.900 . 2.000 1.888 1.778 2.023 0.023 12 0 "[ . 1 . 2]" 2
6 1 39 TYR N 1 52 MET O 2.400 . 3.000 2.867 2.748 3.006 0.006 12 0 "[ . 1 . 2]" 2
7 1 40 TYR H 1 93 ALA O 1.900 . 2.000 1.854 1.799 1.916 0.001 12 0 "[ . 1 . 2]" 2
8 1 40 TYR N 1 93 ALA O 2.400 . 3.000 2.785 2.740 2.837 . 0 0 "[ . 1 . 2]" 2
9 1 41 ASP H 1 49 VAL O 1.900 . 2.000 1.769 1.736 1.833 0.064 17 0 "[ . 1 . 2]" 2
10 1 41 ASP N 1 49 VAL O 2.400 . 3.000 2.726 2.693 2.777 . 0 0 "[ . 1 . 2]" 2
11 1 42 GLY H 1 91 TRP O 1.900 . 2.000 1.823 1.750 2.008 0.050 1 0 "[ . 1 . 2]" 2
12 1 42 GLY N 1 91 TRP O 2.400 . 3.000 2.735 2.685 2.800 . 0 0 "[ . 1 . 2]" 2
13 1 37 CYS O 1 54 VAL H 1.900 . 2.000 1.889 1.796 2.014 0.014 11 0 "[ . 1 . 2]" 2
14 1 37 CYS O 1 54 VAL N 2.400 . 3.000 2.839 2.766 2.981 . 0 0 "[ . 1 . 2]" 2
15 1 35 ARG O 1 56 ILE H 1.900 . 2.000 1.910 1.753 2.011 0.047 5 0 "[ . 1 . 2]" 2
16 1 35 ARG O 1 56 ILE N 2.400 . 3.000 2.879 2.729 2.992 . 0 0 "[ . 1 . 2]" 2
17 1 57 GLY H 1 73 ALA O 1.900 . 2.000 1.810 1.724 2.027 0.076 15 0 "[ . 1 . 2]" 2
18 1 57 GLY N 1 73 ALA O 2.400 . 3.000 2.740 2.681 2.928 . 0 0 "[ . 1 . 2]" 2
19 1 55 ARG O 1 58 THR H 1.900 . 2.000 2.036 2.005 2.082 0.082 1 0 "[ . 1 . 2]" 2
20 1 55 ARG O 1 58 THR N 2.400 . 3.000 2.956 2.890 3.008 0.008 7 0 "[ . 1 . 2]" 2
21 1 60 ALA H 1 71 VAL O 1.900 . 2.000 1.909 1.789 2.017 0.017 19 0 "[ . 1 . 2]" 2
22 1 60 ALA N 1 71 VAL O 2.400 . 3.000 2.858 2.746 2.946 . 0 0 "[ . 1 . 2]" 2
23 1 62 ILE H 1 69 PHE O 1.900 . 2.000 1.794 1.767 1.840 0.033 15 0 "[ . 1 . 2]" 2
24 1 62 ILE N 1 69 PHE O 2.400 . 3.000 2.759 2.737 2.799 . 0 0 "[ . 1 . 2]" 2
25 1 64 ALA H 1 67 HIS O 1.900 . 2.000 1.955 1.828 2.016 0.016 19 0 "[ . 1 . 2]" 2
26 1 64 ALA N 1 67 HIS O 2.400 . 3.000 2.870 2.783 2.921 . 0 0 "[ . 1 . 2]" 2
27 1 62 ILE O 1 69 PHE H 1.900 . 2.000 1.773 1.738 1.792 0.062 2 0 "[ . 1 . 2]" 2
28 1 62 ILE O 1 69 PHE N 2.400 . 3.000 2.725 2.692 2.746 . 0 0 "[ . 1 . 2]" 2
29 1 60 ALA O 1 71 VAL H 1.900 . 2.000 1.846 1.786 2.003 0.014 6 0 "[ . 1 . 2]" 2
30 1 60 ALA O 1 71 VAL N 2.400 . 3.000 2.815 2.753 2.985 . 0 0 "[ . 1 . 2]" 2
31 1 72 GLU H 1 81 ILE O 1.900 . 2.000 1.893 1.747 2.034 0.053 19 0 "[ . 1 . 2]" 2
32 1 72 GLU N 1 81 ILE O 2.400 . 3.000 2.829 2.685 2.972 . 0 0 "[ . 1 . 2]" 2
33 1 58 THR O 1 73 ALA H 1.900 . 2.000 2.025 1.936 2.067 0.067 10 0 "[ . 1 . 2]" 2
34 1 58 THR O 1 73 ALA N 2.400 . 3.000 2.956 2.880 3.017 0.017 12 0 "[ . 1 . 2]" 2
35 1 40 TYR O 1 93 ALA H 1.900 . 2.000 1.966 1.793 2.038 0.038 9 0 "[ . 1 . 2]" 2
36 1 40 TYR O 1 93 ALA N 2.400 . 3.000 2.947 2.774 3.021 0.021 9 0 "[ . 1 . 2]" 2
37 1 38 VAL O 1 95 GLU H 1.900 . 2.000 1.935 1.770 2.023 0.030 15 0 "[ . 1 . 2]" 2
38 1 38 VAL O 1 95 GLU N 2.400 . 3.000 2.856 2.712 2.933 . 0 0 "[ . 1 . 2]" 2
39 1 36 PHE O 1 97 TYR H 1.900 . 2.000 1.785 1.725 1.875 0.075 18 0 "[ . 1 . 2]" 2
40 1 36 PHE O 1 97 TYR N 2.400 . 3.000 2.722 2.675 2.791 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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