NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
503504 |
2l7p   |
17365 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7p
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 1372
_Distance_constraint_stats_list.Viol_count 1667
_Distance_constraint_stats_list.Viol_total 674.968
_Distance_constraint_stats_list.Viol_max 0.404
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0202
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.018 0.018 17 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.069 0.069 2 0 "[ . 1 . 2]"
1 10 GLU 0.069 0.069 2 0 "[ . 1 . 2]"
1 11 PHE 0.076 0.016 13 0 "[ . 1 . 2]"
1 12 MET 0.570 0.033 18 0 "[ . 1 . 2]"
1 13 VAL 0.113 0.033 18 0 "[ . 1 . 2]"
1 14 VAL 0.550 0.169 19 0 "[ . 1 . 2]"
1 15 ASP 0.068 0.021 2 0 "[ . 1 . 2]"
1 16 VAL 0.083 0.024 6 0 "[ . 1 . 2]"
1 17 THR 0.168 0.033 17 0 "[ . 1 . 2]"
1 18 ILE 1.003 0.265 16 0 "[ . 1 . 2]"
1 19 GLU 0.651 0.073 16 0 "[ . 1 . 2]"
1 20 ASP 0.151 0.069 14 0 "[ . 1 . 2]"
1 21 SER 0.160 0.032 1 0 "[ . 1 . 2]"
1 22 TYR 0.054 0.015 13 0 "[ . 1 . 2]"
1 23 SER 0.141 0.140 10 0 "[ . 1 . 2]"
1 24 THR 0.589 0.172 13 0 "[ . 1 . 2]"
1 25 GLU 1.873 0.172 13 0 "[ . 1 . 2]"
1 26 SER 0.528 0.133 6 0 "[ . 1 . 2]"
1 27 ALA 0.381 0.037 9 0 "[ . 1 . 2]"
1 28 TRP 1.275 0.112 10 0 "[ . 1 . 2]"
1 29 VAL 0.431 0.039 19 0 "[ . 1 . 2]"
1 30 ARG 1.196 0.071 13 0 "[ . 1 . 2]"
1 31 CYS 0.622 0.046 13 0 "[ . 1 . 2]"
1 32 ASP 0.351 0.028 18 0 "[ . 1 . 2]"
1 33 ASP 0.010 0.003 15 0 "[ . 1 . 2]"
1 34 CYS 0.280 0.046 13 0 "[ . 1 . 2]"
1 35 PHE 0.282 0.028 18 0 "[ . 1 . 2]"
1 36 LYS 0.296 0.062 7 0 "[ . 1 . 2]"
1 37 TRP 2.655 0.103 15 0 "[ . 1 . 2]"
1 38 ARG 0.988 0.048 12 0 "[ . 1 . 2]"
1 39 ARG 0.563 0.112 10 0 "[ . 1 . 2]"
1 40 ILE 2.814 0.100 10 0 "[ . 1 . 2]"
1 41 PRO 0.054 0.019 19 0 "[ . 1 . 2]"
1 42 ALA 0.948 0.119 19 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 1.206 0.051 19 0 "[ . 1 . 2]"
1 45 VAL 1.473 0.042 10 0 "[ . 1 . 2]"
1 46 GLY 0.155 0.017 15 0 "[ . 1 . 2]"
1 47 SER 0.294 0.038 2 0 "[ . 1 . 2]"
1 48 ILE 0.806 0.038 2 0 "[ . 1 . 2]"
1 49 ASP 0.254 0.066 11 0 "[ . 1 . 2]"
1 50 GLU 0.466 0.119 20 0 "[ . 1 . 2]"
1 51 SER 1.056 0.145 7 0 "[ . 1 . 2]"
1 52 SER 0.923 0.131 11 0 "[ . 1 . 2]"
1 53 ARG 0.934 0.145 7 0 "[ . 1 . 2]"
1 54 TRP 0.534 0.055 17 0 "[ . 1 . 2]"
1 55 ILE 0.237 0.046 18 0 "[ . 1 . 2]"
1 56 CYS 0.422 0.036 18 0 "[ . 1 . 2]"
1 57 MET 1.286 0.092 18 0 "[ . 1 . 2]"
1 58 ASN 0.987 0.079 18 0 "[ . 1 . 2]"
1 59 ASN 0.753 0.026 3 0 "[ . 1 . 2]"
1 60 SER 0.105 0.019 12 0 "[ . 1 . 2]"
1 61 ASP 0.099 0.039 7 0 "[ . 1 . 2]"
1 62 LYS 0.585 0.046 12 0 "[ . 1 . 2]"
1 63 ARG 0.164 0.055 18 0 "[ . 1 . 2]"
1 64 PHE 0.610 0.079 12 0 "[ . 1 . 2]"
1 65 ALA 0.662 0.066 13 0 "[ . 1 . 2]"
1 66 ASP 1.032 0.079 12 0 "[ . 1 . 2]"
1 67 CYS 0.281 0.038 13 0 "[ . 1 . 2]"
1 68 SER 0.600 0.092 18 0 "[ . 1 . 2]"
1 69 LYS 0.384 0.067 13 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 1.214 0.074 15 0 "[ . 1 . 2]"
1 72 GLU 0.400 0.045 18 0 "[ . 1 . 2]"
1 73 MET 1.525 0.074 15 0 "[ . 1 . 2]"
1 74 SER 0.077 0.032 12 0 "[ . 1 . 2]"
1 75 ASN 1.215 0.103 15 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 1.154 0.110 7 0 "[ . 1 . 2]"
1 78 ILE 1.888 0.080 13 0 "[ . 1 . 2]"
1 79 ASN 0.864 0.064 17 0 "[ . 1 . 2]"
1 80 GLU 1.571 0.110 7 0 "[ . 1 . 2]"
1 81 GLU 0.059 0.017 19 0 "[ . 1 . 2]"
1 82 LEU 4.523 0.101 12 0 "[ . 1 . 2]"
1 83 GLY 0.265 0.101 18 0 "[ . 1 . 2]"
1 84 ILE 1.283 0.064 17 0 "[ . 1 . 2]"
1 85 GLY 0.380 0.031 14 0 "[ . 1 . 2]"
1 86 GLN 1.741 0.404 14 0 "[ . 1 . 2]"
1 87 ASP 0.601 0.404 14 0 "[ . 1 . 2]"
1 88 GLU 0.126 0.046 4 0 "[ . 1 . 2]"
1 89 ALA 0.140 0.075 4 0 "[ . 1 . 2]"
1 90 ASP 0.148 0.075 4 0 "[ . 1 . 2]"
1 91 ALA 1.060 0.294 20 0 "[ . 1 . 2]"
1 92 TYR 1.479 0.294 20 0 "[ . 1 . 2]"
1 93 ASP 0.336 0.223 5 0 "[ . 1 . 2]"
1 94 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 0.020 0.010 12 0 "[ . 1 . 2]"
1 96 ALA 0.002 0.002 4 0 "[ . 1 . 2]"
1 97 ALA 0.012 0.010 12 0 "[ . 1 . 2]"
1 98 LYS 0.569 0.097 8 0 "[ . 1 . 2]"
1 99 ARG 0.869 0.188 20 0 "[ . 1 . 2]"
1 100 GLY 0.600 0.188 20 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 33 ASP H 1 35 PHE H . . 3.540 2.434 2.375 2.492 . 0 0 "[ . 1 . 2]" 1
2 1 35 PHE H 1 35 PHE QD . . 3.640 3.309 2.408 3.560 . 0 0 "[ . 1 . 2]" 1
3 1 62 LYS H 1 63 ARG H . . 3.230 1.974 1.845 2.149 . 0 0 "[ . 1 . 2]" 1
4 1 63 ARG H 1 64 PHE QD . . 4.490 4.048 3.737 4.491 0.001 12 0 "[ . 1 . 2]" 1
5 1 90 ASP H 1 91 ALA H . . 3.230 2.492 1.907 2.961 . 0 0 "[ . 1 . 2]" 1
6 1 34 CYS H 1 35 PHE H . . 2.980 1.912 1.889 1.981 . 0 0 "[ . 1 . 2]" 1
7 1 35 PHE H 1 36 LYS H . . 3.180 3.050 2.819 3.132 . 0 0 "[ . 1 . 2]" 1
8 1 76 GLU H 1 77 GLU H . . 3.350 2.766 2.682 2.852 . 0 0 "[ . 1 . 2]" 1
9 1 28 TRP H 1 28 TRP HD1 . . 3.990 3.654 3.485 3.927 . 0 0 "[ . 1 . 2]" 1
10 1 27 ALA HA 1 28 TRP H . . 2.990 2.381 2.303 2.449 . 0 0 "[ . 1 . 2]" 1
11 1 28 TRP H 1 28 TRP HB2 . . 3.340 2.314 2.253 2.353 . 0 0 "[ . 1 . 2]" 1
12 1 79 ASN H 1 79 ASN QB . . 2.790 2.052 2.045 2.073 . 0 0 "[ . 1 . 2]" 1
13 1 62 LYS QE 1 63 ARG H . . 3.830 3.459 2.729 3.855 0.025 7 0 "[ . 1 . 2]" 1
14 1 28 TRP H 1 28 TRP HB3 . . 3.780 3.561 3.516 3.599 . 0 0 "[ . 1 . 2]" 1
15 1 31 CYS HB3 1 35 PHE H . . 2.980 2.539 2.398 2.609 . 0 0 "[ . 1 . 2]" 1
16 1 35 PHE H 1 35 PHE QB . . 3.480 3.349 3.129 3.414 . 0 0 "[ . 1 . 2]" 1
17 1 76 GLU H 1 76 GLU HB2 . . 3.620 3.595 3.592 3.597 . 0 0 "[ . 1 . 2]" 1
18 1 76 GLU H 1 76 GLU HG3 . . 3.630 3.257 1.945 3.513 . 0 0 "[ . 1 . 2]" 1
19 1 77 GLU QB 1 79 ASN H . . 5.460 4.721 4.431 4.884 . 0 0 "[ . 1 . 2]" 1
20 1 79 ASN H 1 80 GLU QB . . 5.500 4.828 4.620 4.991 . 0 0 "[ . 1 . 2]" 1
21 1 79 ASN H 1 81 GLU QB . . 5.500 4.614 4.515 4.664 . 0 0 "[ . 1 . 2]" 1
22 1 63 ARG H 1 63 ARG HB3 . . 3.740 3.367 2.974 3.694 . 0 0 "[ . 1 . 2]" 1
23 1 27 ALA MB 1 28 TRP H . . 3.020 2.581 2.479 2.740 . 0 0 "[ . 1 . 2]" 1
24 1 78 ILE HB 1 79 ASN H . . 3.010 2.514 2.348 2.738 . 0 0 "[ . 1 . 2]" 1
25 1 63 ARG H 1 63 ARG HB2 . . 3.740 2.185 2.067 2.503 . 0 0 "[ . 1 . 2]" 1
26 1 82 LEU H 1 82 LEU HG . . 2.670 2.632 2.313 2.752 0.082 15 0 "[ . 1 . 2]" 1
27 1 78 ILE MG 1 79 ASN H . . 3.760 3.450 3.215 3.608 . 0 0 "[ . 1 . 2]" 1
28 1 84 ILE H 1 84 ILE HG12 . . 3.260 2.046 2.001 2.088 . 0 0 "[ . 1 . 2]" 1
29 1 84 ILE H 1 84 ILE HG13 . . 3.100 3.002 2.862 3.103 0.003 8 0 "[ . 1 . 2]" 1
30 1 82 LEU HB2 1 84 ILE H . . 3.450 3.050 2.837 3.198 . 0 0 "[ . 1 . 2]" 1
31 1 84 ILE H 1 84 ILE HB . . 3.740 3.717 3.703 3.723 . 0 0 "[ . 1 . 2]" 1
32 1 90 ASP H 1 90 ASP HB2 . . 3.940 2.662 2.067 3.358 . 0 0 "[ . 1 . 2]" 1
33 1 90 ASP H 1 90 ASP HB3 . . 3.940 3.204 2.363 3.793 . 0 0 "[ . 1 . 2]" 1
34 1 75 ASN QB 1 76 GLU H . . 3.160 2.674 2.497 2.826 . 0 0 "[ . 1 . 2]" 1
35 1 92 TYR H 1 92 TYR HB3 . . 3.900 3.261 2.339 3.908 0.008 4 0 "[ . 1 . 2]" 1
36 1 79 ASN QB 1 84 ILE H . . 4.350 4.303 4.215 4.392 0.042 15 0 "[ . 1 . 2]" 1
37 1 89 ALA MB 1 90 ASP H . . 3.640 2.827 2.004 3.715 0.075 4 0 "[ . 1 . 2]" 1
38 1 52 SER H 1 52 SER QB . . 3.780 3.110 2.073 3.462 . 0 0 "[ . 1 . 2]" 1
39 1 51 SER HB3 1 52 SER H . . 4.150 3.042 2.018 4.153 0.003 4 0 "[ . 1 . 2]" 1
40 1 31 CYS HB2 1 35 PHE H . . 4.320 4.280 4.147 4.337 0.017 12 0 "[ . 1 . 2]" 1
41 1 75 ASN HA 1 76 GLU H . . 3.570 3.534 3.508 3.550 . 0 0 "[ . 1 . 2]" 1
42 1 53 ARG QB 1 54 TRP H . . 3.180 2.501 2.034 3.192 0.012 17 0 "[ . 1 . 2]" 1
43 1 32 ASP HB3 1 54 TRP H . . 4.130 3.888 3.624 4.133 0.003 1 0 "[ . 1 . 2]" 1
44 1 32 ASP HB2 1 54 TRP H . . 2.940 2.747 2.509 2.937 . 0 0 "[ . 1 . 2]" 1
45 1 54 TRP H 1 54 TRP HB3 . . 3.550 2.994 2.703 3.092 . 0 0 "[ . 1 . 2]" 1
46 1 54 TRP H 1 54 TRP HB2 . . 3.550 3.444 3.168 3.558 0.008 5 0 "[ . 1 . 2]" 1
47 1 53 ARG HA 1 54 TRP H . . 2.880 2.423 2.160 2.617 . 0 0 "[ . 1 . 2]" 1
48 1 32 ASP H 1 54 TRP H . . 3.920 3.788 3.620 3.934 0.014 11 0 "[ . 1 . 2]" 1
49 1 32 ASP H 1 54 TRP HE3 . . 4.100 3.836 3.424 4.102 0.002 12 0 "[ . 1 . 2]" 1
50 1 32 ASP H 1 55 ILE HA . . 3.350 2.745 2.510 2.854 . 0 0 "[ . 1 . 2]" 1
51 1 31 CYS HA 1 32 ASP H . . 2.930 2.200 2.175 2.218 . 0 0 "[ . 1 . 2]" 1
52 1 54 TRP H 1 54 TRP HE3 . . 4.550 4.349 4.150 4.561 0.011 13 0 "[ . 1 . 2]" 1
53 1 32 ASP H 1 32 ASP HB3 . . 3.060 2.856 2.669 3.017 . 0 0 "[ . 1 . 2]" 1
54 1 32 ASP H 1 32 ASP HB2 . . 3.230 2.480 2.369 2.637 . 0 0 "[ . 1 . 2]" 1
55 1 53 ARG QG 1 54 TRP H . . 4.020 3.214 2.954 3.811 . 0 0 "[ . 1 . 2]" 1
56 1 32 ASP H 1 55 ILE MG . . 3.200 2.209 1.912 2.474 . 0 0 "[ . 1 . 2]" 1
57 1 54 TRP H 1 55 ILE MG . . 4.170 3.813 3.643 4.153 . 0 0 "[ . 1 . 2]" 1
58 1 31 CYS HB3 1 32 ASP H . . 4.040 4.012 3.946 4.048 0.008 1 0 "[ . 1 . 2]" 1
59 1 31 CYS HB2 1 32 ASP H . . 4.320 4.121 4.029 4.210 . 0 0 "[ . 1 . 2]" 1
60 1 28 TRP HE1 1 78 ILE MG . . 3.720 3.591 3.284 3.727 0.007 6 0 "[ . 1 . 2]" 1
61 1 28 TRP HE1 1 82 LEU MD1 . . 3.960 3.411 3.152 3.981 0.021 18 0 "[ . 1 . 2]" 1
62 1 28 TRP HE1 1 82 LEU MD2 . . 4.620 3.739 3.408 3.948 . 0 0 "[ . 1 . 2]" 1
63 1 28 TRP HE1 1 81 GLU QB . . 4.030 2.968 2.717 3.236 . 0 0 "[ . 1 . 2]" 1
64 1 37 TRP HE1 1 75 ASN HD22 . . 5.500 4.856 4.358 5.500 0.000 4 0 "[ . 1 . 2]" 1
65 1 37 TRP HE1 1 86 GLN QG . . 3.650 3.357 2.892 3.657 0.007 12 0 "[ . 1 . 2]" 1
66 1 37 TRP HE1 1 78 ILE MG . . 4.110 3.095 2.903 3.256 . 0 0 "[ . 1 . 2]" 1
67 1 40 ILE MG 1 54 TRP HE1 . . 3.930 3.362 2.796 3.932 0.002 17 0 "[ . 1 . 2]" 1
68 1 40 ILE MD 1 54 TRP HE1 . . 3.990 3.673 3.278 3.989 . 0 0 "[ . 1 . 2]" 1
69 1 54 TRP HE1 1 58 ASN HB2 . . 4.530 4.336 4.049 4.532 0.002 11 0 "[ . 1 . 2]" 1
70 1 54 TRP HE1 1 59 ASN HA . . 3.720 2.445 1.968 2.987 . 0 0 "[ . 1 . 2]" 1
71 1 54 TRP HB2 1 54 TRP HE1 . . 5.220 4.792 4.786 4.802 . 0 0 "[ . 1 . 2]" 1
72 1 54 TRP HE1 1 59 ASN HB2 . . 5.480 4.247 3.788 4.934 . 0 0 "[ . 1 . 2]" 1
73 1 29 VAL MG2 1 54 TRP HE1 . . 5.050 3.877 3.267 4.411 . 0 0 "[ . 1 . 2]" 1
74 1 29 VAL MG1 1 54 TRP HE1 . . 5.050 4.095 3.246 4.751 . 0 0 "[ . 1 . 2]" 1
75 1 31 CYS H 1 31 CYS HB3 . . 3.170 2.508 2.421 2.569 . 0 0 "[ . 1 . 2]" 1
76 1 31 CYS H 1 31 CYS HB2 . . 3.260 2.594 2.529 2.683 . 0 0 "[ . 1 . 2]" 1
77 1 30 ARG HA 1 31 CYS H . . 2.830 2.218 2.200 2.231 . 0 0 "[ . 1 . 2]" 1
78 1 31 CYS H 1 38 ARG H . . 5.480 5.180 4.979 5.363 . 0 0 "[ . 1 . 2]" 1
79 1 31 CYS H 1 32 ASP H . . 4.730 4.587 4.569 4.598 . 0 0 "[ . 1 . 2]" 1
80 1 31 CYS H 1 35 PHE H . . 4.480 4.211 4.039 4.286 . 0 0 "[ . 1 . 2]" 1
81 1 30 ARG HE 1 31 CYS H . . 3.800 3.422 3.343 3.471 . 0 0 "[ . 1 . 2]" 1
82 1 31 CYS H 1 54 TRP HZ3 . . 4.090 3.314 2.852 4.100 0.010 16 0 "[ . 1 . 2]" 1
83 1 31 CYS H 1 37 TRP HA . . 4.380 4.206 4.062 4.382 0.002 7 0 "[ . 1 . 2]" 1
84 1 30 ARG HG2 1 31 CYS H . . 3.680 2.104 2.058 2.168 . 0 0 "[ . 1 . 2]" 1
85 1 30 ARG HB3 1 31 CYS H . . 4.310 3.933 3.884 4.027 . 0 0 "[ . 1 . 2]" 1
86 1 30 ARG HB2 1 31 CYS H . . 4.240 4.112 4.104 4.122 . 0 0 "[ . 1 . 2]" 1
87 1 31 CYS H 1 38 ARG QB . . 4.950 4.521 4.277 4.861 . 0 0 "[ . 1 . 2]" 1
88 1 30 ARG HG3 1 31 CYS H . . 3.820 3.626 3.555 3.757 . 0 0 "[ . 1 . 2]" 1
89 1 72 GLU H 1 72 GLU QB . . 3.100 2.462 2.168 2.604 . 0 0 "[ . 1 . 2]" 1
90 1 71 GLN HB2 1 72 GLU H . . 4.770 3.925 3.879 4.054 . 0 0 "[ . 1 . 2]" 1
91 1 71 GLN HB3 1 72 GLU H . . 4.770 3.556 3.357 4.177 . 0 0 "[ . 1 . 2]" 1
92 1 71 GLN QG 1 72 GLU H . . 3.760 2.026 1.979 2.279 . 0 0 "[ . 1 . 2]" 1
93 1 71 GLN HA 1 72 GLU H . . 3.280 2.367 2.181 2.420 . 0 0 "[ . 1 . 2]" 1
94 1 72 GLU H 1 73 MET H . . 3.430 2.408 2.213 2.877 . 0 0 "[ . 1 . 2]" 1
95 1 42 ALA H 1 42 ALA MB . . 2.790 2.125 2.034 2.239 . 0 0 "[ . 1 . 2]" 1
96 1 41 PRO HB3 1 42 ALA H . . 3.740 3.622 3.594 3.641 . 0 0 "[ . 1 . 2]" 1
97 1 41 PRO HB2 1 42 ALA H . . 3.640 2.951 2.898 2.983 . 0 0 "[ . 1 . 2]" 1
98 1 30 ARG H 1 30 ARG HB3 . . 3.350 2.597 2.518 2.627 . 0 0 "[ . 1 . 2]" 1
99 1 30 ARG H 1 30 ARG HG2 . . 4.450 4.460 4.441 4.469 0.019 13 0 "[ . 1 . 2]" 1
100 1 29 VAL MG2 1 30 ARG H . . 4.180 3.243 1.943 4.071 . 0 0 "[ . 1 . 2]" 1
101 1 30 ARG H 1 30 ARG QD . . 4.740 4.775 4.719 4.811 0.071 13 0 "[ . 1 . 2]" 1
102 1 26 SER QB 1 42 ALA H . . 5.150 4.466 3.709 4.936 . 0 0 "[ . 1 . 2]" 1
103 1 41 PRO HA 1 42 ALA H . . 2.750 2.287 2.277 2.305 . 0 0 "[ . 1 . 2]" 1
104 1 26 SER HA 1 42 ALA H . . 3.460 2.879 2.616 3.123 . 0 0 "[ . 1 . 2]" 1
105 1 29 VAL HA 1 30 ARG H . . 3.020 2.212 2.164 2.246 . 0 0 "[ . 1 . 2]" 1
106 1 27 ALA H 1 42 ALA H . . 4.480 4.438 4.228 4.500 0.020 19 0 "[ . 1 . 2]" 1
107 1 30 ARG H 1 37 TRP HE3 . . 4.380 4.177 3.982 4.353 . 0 0 "[ . 1 . 2]" 1
108 1 30 ARG H 1 37 TRP HZ3 . . 3.470 3.161 2.847 3.417 . 0 0 "[ . 1 . 2]" 1
109 1 30 ARG H 1 31 CYS H . . 4.620 4.506 4.496 4.519 . 0 0 "[ . 1 . 2]" 1
110 1 38 ARG HA 1 39 ARG H . . 3.430 2.146 2.144 2.149 . 0 0 "[ . 1 . 2]" 1
111 1 38 ARG QB 1 39 ARG H . . 3.970 3.623 3.464 3.765 . 0 0 "[ . 1 . 2]" 1
112 1 38 ARG QG 1 39 ARG H . . 4.060 3.163 2.586 4.098 0.038 16 0 "[ . 1 . 2]" 1
113 1 39 ARG H 1 39 ARG HB2 . . 3.610 2.419 2.307 2.538 . 0 0 "[ . 1 . 2]" 1
114 1 48 ILE MG 1 49 ASP H . . 4.150 4.066 4.021 4.108 . 0 0 "[ . 1 . 2]" 1
115 1 39 ARG H 1 39 ARG HB3 . . 3.610 2.772 2.639 2.906 . 0 0 "[ . 1 . 2]" 1
116 1 28 TRP HZ3 1 39 ARG H . . 3.670 2.747 2.500 3.100 . 0 0 "[ . 1 . 2]" 1
117 1 28 TRP HE3 1 39 ARG H . . 4.200 3.952 3.849 4.179 . 0 0 "[ . 1 . 2]" 1
118 1 49 ASP H 1 50 GLU H . . 4.370 3.578 2.682 4.164 . 0 0 "[ . 1 . 2]" 1
119 1 26 SER QB 1 27 ALA H . . 3.140 2.945 2.689 3.139 . 0 0 "[ . 1 . 2]" 1
120 1 27 ALA H 1 39 ARG HA . . 4.980 4.844 4.720 5.000 0.020 10 0 "[ . 1 . 2]" 1
121 1 27 ALA H 1 41 PRO HA . . 3.900 3.839 3.721 3.919 0.019 19 0 "[ . 1 . 2]" 1
122 1 26 SER HA 1 27 ALA H . . 2.810 2.207 2.156 2.285 . 0 0 "[ . 1 . 2]" 1
123 1 4 ARG HA 1 5 ALA H . . 3.400 2.399 2.154 2.836 . 0 0 "[ . 1 . 2]" 1
124 1 48 ILE HA 1 49 ASP H . . 3.520 3.433 3.359 3.497 . 0 0 "[ . 1 . 2]" 1
125 1 47 SER QB 1 49 ASP H . . 4.850 4.467 4.346 4.701 . 0 0 "[ . 1 . 2]" 1
126 1 49 ASP H 1 49 ASP QB . . 3.100 2.326 2.093 3.100 . 0 0 "[ . 1 . 2]" 1
127 1 27 ALA H 1 40 ILE HG13 . . 3.610 3.291 3.162 3.391 . 0 0 "[ . 1 . 2]" 1
128 1 27 ALA H 1 27 ALA MB . . 3.040 2.394 2.275 2.523 . 0 0 "[ . 1 . 2]" 1
129 1 48 ILE MD 1 49 ASP H . . 3.220 3.074 2.859 3.223 0.003 7 0 "[ . 1 . 2]" 1
130 1 5 ALA H 1 5 ALA MB . . 3.570 2.495 2.023 2.878 . 0 0 "[ . 1 . 2]" 1
131 1 48 ILE HB 1 49 ASP H . . 4.140 3.990 3.786 4.160 0.020 13 0 "[ . 1 . 2]" 1
132 1 27 ALA H 1 40 ILE MD . . 4.670 4.420 4.295 4.521 . 0 0 "[ . 1 . 2]" 1
133 1 27 ALA H 1 40 ILE HG12 . . 3.420 3.322 3.167 3.427 0.007 13 0 "[ . 1 . 2]" 1
134 1 49 ASP H 1 54 TRP HD1 . . 5.500 5.417 4.977 5.532 0.032 2 0 "[ . 1 . 2]" 1
135 1 27 ALA H 1 45 VAL MG1 . . 4.550 4.377 4.057 4.552 0.002 7 0 "[ . 1 . 2]" 1
136 1 27 ALA H 1 45 VAL MG2 . . 4.820 3.681 3.487 3.817 . 0 0 "[ . 1 . 2]" 1
137 1 67 CYS H 1 67 CYS HB3 . . 3.670 3.484 3.449 3.510 . 0 0 "[ . 1 . 2]" 1
138 1 66 ASP HB3 1 67 CYS H . . 3.150 3.097 2.928 3.137 . 0 0 "[ . 1 . 2]" 1
139 1 57 MET HA 1 67 CYS H . . 4.960 4.644 4.524 4.826 . 0 0 "[ . 1 . 2]" 1
140 1 67 CYS H 1 68 SER HA . . 5.500 5.177 5.113 5.222 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE HA 1 19 GLU H . . 2.720 2.325 2.276 2.367 . 0 0 "[ . 1 . 2]" 1
142 1 57 MET H 1 67 CYS H . . 4.010 3.665 3.594 3.908 . 0 0 "[ . 1 . 2]" 1
143 1 57 MET QB 1 67 CYS H . . 3.870 3.628 3.503 3.854 . 0 0 "[ . 1 . 2]" 1
144 1 18 ILE HB 1 19 GLU H . . 3.530 3.548 3.401 3.603 0.073 16 0 "[ . 1 . 2]" 1
145 1 18 ILE H 1 19 GLU H . . 4.630 4.547 4.465 4.620 . 0 0 "[ . 1 . 2]" 1
146 1 66 ASP HA 1 67 CYS H . . 2.900 2.231 2.219 2.282 . 0 0 "[ . 1 . 2]" 1
147 1 19 GLU H 1 20 ASP QB . . 4.470 3.996 3.198 4.539 0.069 14 0 "[ . 1 . 2]" 1
148 1 88 GLU QG 1 89 ALA H . . 3.810 2.757 1.930 3.808 . 0 0 "[ . 1 . 2]" 1
149 1 88 GLU HB2 1 89 ALA H . . 4.000 3.682 2.100 4.011 0.011 15 0 "[ . 1 . 2]" 1
150 1 88 GLU HB3 1 89 ALA H . . 4.000 3.433 2.147 4.044 0.044 19 0 "[ . 1 . 2]" 1
151 1 89 ALA H 1 89 ALA MB . . 2.940 2.725 2.105 2.905 . 0 0 "[ . 1 . 2]" 1
152 1 18 ILE HG13 1 19 GLU H . . 5.270 4.943 4.463 5.162 . 0 0 "[ . 1 . 2]" 1
153 1 18 ILE HG12 1 19 GLU H . . 5.270 4.962 4.541 5.025 . 0 0 "[ . 1 . 2]" 1
154 1 18 ILE MG 1 19 GLU H . . 3.560 1.994 1.911 2.031 . 0 0 "[ . 1 . 2]" 1
155 1 96 ALA H 1 96 ALA MB . . 3.100 2.109 2.024 2.214 . 0 0 "[ . 1 . 2]" 1
156 1 39 ARG HA 1 40 ILE H . . 2.880 2.143 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL HA 1 15 ASP H . . 2.730 2.421 2.147 2.732 0.002 12 0 "[ . 1 . 2]" 1
158 1 87 ASP HA 1 89 ALA H . . 4.210 3.634 3.244 4.165 . 0 0 "[ . 1 . 2]" 1
159 1 27 ALA H 1 40 ILE H . . 3.520 3.300 3.179 3.525 0.005 6 0 "[ . 1 . 2]" 1
160 1 14 VAL H 1 15 ASP H . . 4.390 3.889 2.637 4.411 0.021 2 0 "[ . 1 . 2]" 1
161 1 15 ASP H 1 16 VAL H . . 4.600 4.351 4.043 4.578 . 0 0 "[ . 1 . 2]" 1
162 1 61 ASP HA 1 62 LYS H . . 2.870 2.659 2.494 2.718 . 0 0 "[ . 1 . 2]" 1
163 1 28 TRP HA 1 40 ILE H . . 3.710 3.485 3.362 3.597 . 0 0 "[ . 1 . 2]" 1
164 1 94 CYS HA 1 96 ALA H . . 4.370 3.897 3.311 4.363 . 0 0 "[ . 1 . 2]" 1
165 1 26 SER QB 1 40 ILE H . . 3.890 3.883 3.800 3.935 0.045 19 0 "[ . 1 . 2]" 1
166 1 39 ARG QD 1 40 ILE H . . 4.800 4.370 4.098 4.471 . 0 0 "[ . 1 . 2]" 1
167 1 15 ASP H 1 15 ASP HB3 . . 3.950 3.405 2.450 3.931 . 0 0 "[ . 1 . 2]" 1
168 1 62 LYS H 1 62 LYS QG . . 3.180 2.502 1.936 3.192 0.012 6 0 "[ . 1 . 2]" 1
169 1 62 LYS H 1 62 LYS QD . . 4.010 2.660 2.025 3.830 . 0 0 "[ . 1 . 2]" 1
170 1 62 LYS H 1 62 LYS HB2 . . 3.930 3.383 2.822 3.835 . 0 0 "[ . 1 . 2]" 1
171 1 14 VAL HB 1 15 ASP H . . 4.390 3.468 1.944 4.394 0.004 10 0 "[ . 1 . 2]" 1
172 1 38 ARG QB 1 40 ILE H . . 5.320 4.964 4.707 5.326 0.006 15 0 "[ . 1 . 2]" 1
173 1 40 ILE H 1 40 ILE HB . . 4.010 3.844 3.804 3.878 . 0 0 "[ . 1 . 2]" 1
174 1 27 ALA MB 1 40 ILE H . . 4.280 4.207 4.116 4.299 0.019 10 0 "[ . 1 . 2]" 1
175 1 40 ILE H 1 40 ILE HG12 . . 3.350 2.279 2.223 2.334 . 0 0 "[ . 1 . 2]" 1
176 1 40 ILE H 1 45 VAL MG2 . . 4.750 4.781 4.773 4.792 0.042 10 0 "[ . 1 . 2]" 1
177 1 40 ILE H 1 40 ILE MG . . 3.050 2.643 2.533 2.735 . 0 0 "[ . 1 . 2]" 1
178 1 14 VAL MG1 1 15 ASP H . . 4.970 3.801 2.496 4.378 . 0 0 "[ . 1 . 2]" 1
179 1 14 VAL MG2 1 15 ASP H . . 4.970 3.730 2.517 4.373 . 0 0 "[ . 1 . 2]" 1
180 1 61 ASP H 1 62 LYS H . . 4.560 4.512 4.467 4.599 0.039 7 0 "[ . 1 . 2]" 1
181 1 13 VAL HA 1 14 VAL H . . 2.610 2.496 2.267 2.615 0.005 20 0 "[ . 1 . 2]" 1
182 1 61 ASP HB2 1 62 LYS H . . 3.890 3.704 3.626 3.901 0.011 3 0 "[ . 1 . 2]" 1
183 1 62 LYS H 1 62 LYS QE . . 3.920 3.416 2.764 3.898 . 0 0 "[ . 1 . 2]" 1
184 1 61 ASP HB3 1 62 LYS H . . 3.560 2.500 2.247 2.982 . 0 0 "[ . 1 . 2]" 1
185 1 90 ASP HB2 1 91 ALA H . . 4.680 3.169 2.485 4.179 . 0 0 "[ . 1 . 2]" 1
186 1 90 ASP HB3 1 91 ALA H . . 4.680 2.749 2.001 3.864 . 0 0 "[ . 1 . 2]" 1
187 1 91 ALA H 1 91 ALA MB . . 2.930 2.694 2.137 2.891 . 0 0 "[ . 1 . 2]" 1
188 1 14 VAL H 1 14 VAL MG1 . . 3.720 3.213 2.673 3.889 0.169 19 0 "[ . 1 . 2]" 1
189 1 14 VAL H 1 14 VAL MG2 . . 3.720 2.242 1.908 3.484 . 0 0 "[ . 1 . 2]" 1
190 1 62 LYS H 1 65 ALA MB . . 4.010 3.697 3.483 4.055 0.045 3 0 "[ . 1 . 2]" 1
191 1 71 GLN H 1 71 GLN HB2 . . 3.250 2.470 2.339 2.770 . 0 0 "[ . 1 . 2]" 1
192 1 71 GLN H 1 71 GLN QG . . 4.040 3.968 3.919 3.985 . 0 0 "[ . 1 . 2]" 1
193 1 36 LYS QE 1 71 GLN H . . 5.070 3.773 3.024 4.990 . 0 0 "[ . 1 . 2]" 1
194 1 70 SER HB2 1 71 GLN H . . 3.780 3.046 2.174 3.619 . 0 0 "[ . 1 . 2]" 1
195 1 70 SER HB3 1 71 GLN H . . 3.780 2.494 1.950 3.279 . 0 0 "[ . 1 . 2]" 1
196 1 70 SER HA 1 71 GLN H . . 2.910 2.553 2.212 2.715 . 0 0 "[ . 1 . 2]" 1
197 1 47 SER HA 1 48 ILE H . . 3.540 3.532 3.525 3.537 . 0 0 "[ . 1 . 2]" 1
198 1 47 SER QB 1 48 ILE H . . 3.130 2.641 2.536 2.821 . 0 0 "[ . 1 . 2]" 1
199 1 45 VAL HA 1 48 ILE H . . 3.860 3.853 3.658 3.885 0.025 5 0 "[ . 1 . 2]" 1
200 1 48 ILE H 1 48 ILE MD . . 3.920 3.649 3.530 3.741 . 0 0 "[ . 1 . 2]" 1
201 1 48 ILE H 1 48 ILE MG . . 3.460 2.333 2.230 2.456 . 0 0 "[ . 1 . 2]" 1
202 1 48 ILE H 1 48 ILE HG12 . . 3.380 2.996 2.689 3.198 . 0 0 "[ . 1 . 2]" 1
203 1 48 ILE H 1 48 ILE HG13 . . 3.380 2.031 1.939 2.123 . 0 0 "[ . 1 . 2]" 1
204 1 48 ILE H 1 49 ASP H . . 3.660 2.543 2.402 2.593 . 0 0 "[ . 1 . 2]" 1
205 1 65 ALA H 1 65 ALA MB . . 2.840 2.405 2.330 2.472 . 0 0 "[ . 1 . 2]" 1
206 1 17 THR HA 1 18 ILE H . . 2.900 2.481 2.146 2.700 . 0 0 "[ . 1 . 2]" 1
207 1 64 PHE H 1 65 ALA H . . 3.020 2.403 2.290 2.486 . 0 0 "[ . 1 . 2]" 1
208 1 63 ARG H 1 65 ALA H . . 4.170 3.957 3.488 4.225 0.055 18 0 "[ . 1 . 2]" 1
209 1 17 THR H 1 18 ILE H . . 4.900 4.492 3.942 4.627 . 0 0 "[ . 1 . 2]" 1
210 1 24 THR HA 1 25 GLU H . . 3.600 3.303 2.160 3.571 . 0 0 "[ . 1 . 2]" 1
211 1 52 SER HA 1 53 ARG H . . 3.440 3.011 2.704 3.543 0.103 7 0 "[ . 1 . 2]" 1
212 1 17 THR HB 1 18 ILE H . . 3.590 2.602 2.008 3.623 0.033 17 0 "[ . 1 . 2]" 1
213 1 62 LYS HA 1 65 ALA H . . 3.960 3.729 3.508 3.971 0.011 18 0 "[ . 1 . 2]" 1
214 1 18 ILE H 1 18 ILE HB . . 3.170 2.740 2.683 2.845 . 0 0 "[ . 1 . 2]" 1
215 1 69 LYS H 1 69 LYS QG . . 2.890 2.074 1.935 2.631 . 0 0 "[ . 1 . 2]" 1
216 1 65 ALA H 1 69 LYS QG . . 3.540 3.244 2.880 3.606 0.066 13 0 "[ . 1 . 2]" 1
217 1 18 ILE H 1 18 ILE HG12 . . 4.080 2.566 1.936 4.097 0.017 5 0 "[ . 1 . 2]" 1
218 1 69 LYS H 1 69 LYS HB3 . . 3.640 3.467 2.319 3.598 . 0 0 "[ . 1 . 2]" 1
219 1 17 THR MG 1 18 ILE H . . 4.490 3.495 2.774 4.085 . 0 0 "[ . 1 . 2]" 1
220 1 24 THR H 1 25 GLU H . . 3.720 2.629 1.897 3.613 . 0 0 "[ . 1 . 2]" 1
221 1 66 ASP H 1 69 LYS H . . 4.370 4.228 4.131 4.342 . 0 0 "[ . 1 . 2]" 1
222 1 52 SER QB 1 53 ARG H . . 4.050 3.672 2.667 4.022 . 0 0 "[ . 1 . 2]" 1
223 1 68 SER HB3 1 69 LYS H . . 4.380 3.268 2.874 4.306 . 0 0 "[ . 1 . 2]" 1
224 1 68 SER HB2 1 69 LYS H . . 4.380 3.556 2.864 4.252 . 0 0 "[ . 1 . 2]" 1
225 1 64 PHE HB3 1 65 ALA H . . 4.340 4.300 4.227 4.353 0.013 13 0 "[ . 1 . 2]" 1
226 1 53 ARG H 1 54 TRP HB2 . . 5.500 4.765 4.384 5.473 . 0 0 "[ . 1 . 2]" 1
227 1 69 LYS H 1 69 LYS HB2 . . 3.640 2.703 2.507 3.571 . 0 0 "[ . 1 . 2]" 1
228 1 66 ASP HB2 1 69 LYS H . . 3.840 3.575 3.196 3.838 . 0 0 "[ . 1 . 2]" 1
229 1 66 ASP HB3 1 69 LYS H . . 4.210 2.859 2.670 3.116 . 0 0 "[ . 1 . 2]" 1
230 1 69 LYS H 1 69 LYS QE . . 4.510 3.414 2.250 4.551 0.041 13 0 "[ . 1 . 2]" 1
231 1 59 ASN HB3 1 65 ALA H . . 4.350 4.316 4.126 4.360 0.010 18 0 "[ . 1 . 2]" 1
232 1 53 ARG H 1 53 ARG QG . . 3.450 2.826 1.989 3.472 0.022 3 0 "[ . 1 . 2]" 1
233 1 53 ARG H 1 53 ARG QB . . 3.480 2.925 2.212 3.246 . 0 0 "[ . 1 . 2]" 1
234 1 25 GLU H 1 25 GLU HB2 . . 3.620 2.792 2.090 3.567 . 0 0 "[ . 1 . 2]" 1
235 1 25 GLU H 1 25 GLU HG2 . . 4.510 3.865 2.764 4.584 0.074 13 0 "[ . 1 . 2]" 1
236 1 65 ALA H 1 66 ASP HB2 . . 4.050 3.874 3.758 4.047 . 0 0 "[ . 1 . 2]" 1
237 1 64 PHE HB2 1 65 ALA H . . 4.340 4.040 3.926 4.173 . 0 0 "[ . 1 . 2]" 1
238 1 24 THR MG 1 25 GLU H . . 4.160 3.783 2.984 4.223 0.063 8 0 "[ . 1 . 2]" 1
239 1 25 GLU H 1 42 ALA MB . . 4.800 4.181 2.430 4.809 0.009 2 0 "[ . 1 . 2]" 1
240 1 18 ILE H 1 18 ILE MG . . 3.950 3.851 3.773 3.933 . 0 0 "[ . 1 . 2]" 1
241 1 53 ARG H 1 54 TRP H . . 4.470 4.390 4.253 4.525 0.055 17 0 "[ . 1 . 2]" 1
242 1 50 GLU H 1 53 ARG H . . 5.500 4.776 4.233 5.516 0.016 11 0 "[ . 1 . 2]" 1
243 1 52 SER H 1 53 ARG H . . 4.370 2.293 1.883 2.977 . 0 0 "[ . 1 . 2]" 1
244 1 77 GLU H 1 78 ILE H . . 3.150 2.740 2.658 2.865 . 0 0 "[ . 1 . 2]" 1
245 1 3 ARG HA 1 4 ARG H . . 3.320 2.263 2.152 2.541 . 0 0 "[ . 1 . 2]" 1
246 1 64 PHE HA 1 65 ALA H . . 3.240 3.006 2.895 3.094 . 0 0 "[ . 1 . 2]" 1
247 1 12 MET HA 1 13 VAL H . . 2.980 2.595 2.358 3.013 0.033 18 0 "[ . 1 . 2]" 1
248 1 92 TYR HA 1 93 ASP H . . 3.230 2.500 2.138 3.453 0.223 5 0 "[ . 1 . 2]" 1
249 1 77 GLU QB 1 78 ILE H . . 3.040 2.483 2.260 2.602 . 0 0 "[ . 1 . 2]" 1
250 1 78 ILE H 1 78 ILE HG12 . . 3.740 3.472 3.319 3.757 0.017 12 0 "[ . 1 . 2]" 1
251 1 78 ILE H 1 78 ILE HB . . 3.000 2.584 2.528 2.622 . 0 0 "[ . 1 . 2]" 1
252 1 78 ILE H 1 78 ILE HG13 . . 3.740 2.023 1.938 2.264 . 0 0 "[ . 1 . 2]" 1
253 1 78 ILE H 1 78 ILE MG . . 3.950 3.767 3.763 3.770 . 0 0 "[ . 1 . 2]" 1
254 1 9 SER HA 1 10 GLU H . . 3.440 2.498 2.168 3.509 0.069 2 0 "[ . 1 . 2]" 1
255 1 75 ASN HA 1 78 ILE H . . 3.750 3.559 3.470 3.647 . 0 0 "[ . 1 . 2]" 1
256 1 94 CYS HB2 1 95 ASP H . . 4.740 3.876 2.076 4.644 . 0 0 "[ . 1 . 2]" 1
257 1 94 CYS HB3 1 95 ASP H . . 4.740 3.364 2.049 4.346 . 0 0 "[ . 1 . 2]" 1
258 1 10 GLU H 1 10 GLU HG2 . . 4.860 4.387 2.206 4.856 . 0 0 "[ . 1 . 2]" 1
259 1 13 VAL H 1 13 VAL HB . . 4.020 3.694 3.606 3.891 . 0 0 "[ . 1 . 2]" 1
260 1 95 ASP H 1 95 ASP HB2 . . 4.040 3.487 2.182 4.046 0.006 10 0 "[ . 1 . 2]" 1
261 1 93 ASP H 1 93 ASP HB3 . . 4.040 3.407 2.743 3.891 . 0 0 "[ . 1 . 2]" 1
262 1 93 ASP H 1 93 ASP HB2 . . 4.040 3.204 2.870 4.001 . 0 0 "[ . 1 . 2]" 1
263 1 78 ILE H 1 79 ASN QB . . 4.430 4.326 4.271 4.387 . 0 0 "[ . 1 . 2]" 1
264 1 73 MET HB3 1 78 ILE H . . 3.900 3.808 3.612 3.909 0.009 16 0 "[ . 1 . 2]" 1
265 1 73 MET HB2 1 78 ILE H . . 4.590 4.568 4.095 4.622 0.032 8 0 "[ . 1 . 2]" 1
266 1 37 TRP HA 1 38 ARG H . . 2.910 2.214 2.146 2.235 . 0 0 "[ . 1 . 2]" 1
267 1 13 VAL H 1 13 VAL QG . . 3.050 2.020 1.841 2.333 . 0 0 "[ . 1 . 2]" 1
268 1 38 ARG H 1 78 ILE MD . . 5.500 4.878 4.686 5.236 . 0 0 "[ . 1 . 2]" 1
269 1 38 ARG H 1 38 ARG QB . . 3.260 2.663 2.496 2.726 . 0 0 "[ . 1 . 2]" 1
270 1 38 ARG H 1 38 ARG QG . . 4.360 4.224 4.001 4.335 . 0 0 "[ . 1 . 2]" 1
271 1 37 TRP HB2 1 38 ARG H . . 4.500 4.247 4.209 4.424 . 0 0 "[ . 1 . 2]" 1
272 1 99 ARG H 1 99 ARG QG . . 3.320 2.769 1.912 3.394 0.074 11 0 "[ . 1 . 2]" 1
273 1 12 MET QG 1 13 VAL H . . 3.380 2.986 2.535 3.401 0.021 12 0 "[ . 1 . 2]" 1
274 1 37 TRP HB3 1 38 ARG H . . 3.700 3.085 3.010 3.447 . 0 0 "[ . 1 . 2]" 1
275 1 28 TRP HE3 1 38 ARG H . . 3.710 2.443 2.133 2.698 . 0 0 "[ . 1 . 2]" 1
276 1 37 TRP HE3 1 38 ARG H . . 4.010 2.126 1.967 2.451 . 0 0 "[ . 1 . 2]" 1
277 1 37 TRP H 1 38 ARG H . . 4.730 4.598 4.484 4.616 . 0 0 "[ . 1 . 2]" 1
278 1 50 GLU H 1 51 SER H . . 3.490 2.287 2.060 2.567 . 0 0 "[ . 1 . 2]" 1
279 1 28 TRP HA 1 38 ARG H . . 4.220 4.189 4.036 4.264 0.044 7 0 "[ . 1 . 2]" 1
280 1 60 SER H 1 60 SER HB2 . . 3.740 2.592 2.066 3.451 . 0 0 "[ . 1 . 2]" 1
281 1 60 SER H 1 60 SER HB3 . . 3.740 2.772 2.127 3.414 . 0 0 "[ . 1 . 2]" 1
282 1 50 GLU H 1 50 GLU QG . . 3.500 2.145 1.917 3.619 0.119 20 0 "[ . 1 . 2]" 1
283 1 49 ASP QB 1 50 GLU H . . 3.920 3.878 3.668 3.986 0.066 11 0 "[ . 1 . 2]" 1
284 1 45 VAL H 1 45 VAL HB . . 2.930 2.247 2.232 2.255 . 0 0 "[ . 1 . 2]" 1
285 1 45 VAL H 1 45 VAL MG1 . . 2.910 2.651 2.627 2.684 . 0 0 "[ . 1 . 2]" 1
286 1 34 CYS H 1 35 PHE HA . . 4.210 4.145 4.118 4.209 . 0 0 "[ . 1 . 2]" 1
287 1 44 VAL HA 1 45 VAL H . . 3.530 3.487 3.475 3.501 . 0 0 "[ . 1 . 2]" 1
288 1 42 ALA HA 1 45 VAL H . . 3.550 3.272 3.259 3.285 . 0 0 "[ . 1 . 2]" 1
289 1 56 CYS HA 1 59 ASN H . . 3.910 3.487 3.406 3.549 . 0 0 "[ . 1 . 2]" 1
290 1 59 ASN H 1 59 ASN HB2 . . 2.960 2.349 2.302 2.498 . 0 0 "[ . 1 . 2]" 1
291 1 59 ASN H 1 59 ASN HB3 . . 2.760 2.719 2.554 2.770 0.010 10 0 "[ . 1 . 2]" 1
292 1 58 ASN HB3 1 59 ASN H . . 4.240 3.868 3.843 3.902 . 0 0 "[ . 1 . 2]" 1
293 1 31 CYS HB2 1 34 CYS H . . 4.190 4.197 4.158 4.236 0.046 13 0 "[ . 1 . 2]" 1
294 1 31 CYS HB3 1 34 CYS H . . 3.260 2.841 2.769 2.904 . 0 0 "[ . 1 . 2]" 1
295 1 34 CYS H 1 34 CYS HB2 . . 3.920 3.775 3.748 3.801 . 0 0 "[ . 1 . 2]" 1
296 1 34 CYS H 1 34 CYS HB3 . . 3.920 3.015 2.952 3.111 . 0 0 "[ . 1 . 2]" 1
297 1 33 ASP HB2 1 34 CYS H . . 3.970 3.730 3.537 3.878 . 0 0 "[ . 1 . 2]" 1
298 1 59 ASN HB3 1 60 SER H . . 4.010 3.708 3.458 4.022 0.012 15 0 "[ . 1 . 2]" 1
299 1 59 ASN HB2 1 60 SER H . . 4.200 4.070 3.949 4.167 . 0 0 "[ . 1 . 2]" 1
300 1 12 MET H 1 12 MET QB . . 3.310 2.805 2.069 3.214 . 0 0 "[ . 1 . 2]" 1
301 1 59 ASN H 1 65 ALA MB . . 3.040 3.046 2.969 3.066 0.026 3 0 "[ . 1 . 2]" 1
302 1 27 ALA MB 1 45 VAL H . . 5.160 4.722 4.579 4.841 . 0 0 "[ . 1 . 2]" 1
303 1 42 ALA MB 1 45 VAL H . . 5.470 4.596 4.574 4.623 . 0 0 "[ . 1 . 2]" 1
304 1 40 ILE MG 1 60 SER H . . 4.080 3.851 3.482 4.099 0.019 12 0 "[ . 1 . 2]" 1
305 1 40 ILE HG13 1 45 VAL H . . 3.310 3.325 3.312 3.340 0.030 7 0 "[ . 1 . 2]" 1
306 1 40 ILE MD 1 45 VAL H . . 3.770 3.379 3.250 3.411 . 0 0 "[ . 1 . 2]" 1
307 1 54 TRP HZ2 1 60 SER H . . 4.380 4.182 3.741 4.384 0.004 8 0 "[ . 1 . 2]" 1
308 1 54 TRP HZ2 1 59 ASN H . . 3.880 3.526 3.299 3.885 0.005 18 0 "[ . 1 . 2]" 1
309 1 57 MET H 1 59 ASN H . . 4.390 4.104 4.075 4.123 . 0 0 "[ . 1 . 2]" 1
310 1 11 PHE QD 1 12 MET H . . 4.090 3.104 2.029 4.031 . 0 0 "[ . 1 . 2]" 1
311 1 59 ASN H 1 60 SER H . . 4.690 4.633 4.611 4.645 . 0 0 "[ . 1 . 2]" 1
312 1 34 CYS H 1 36 LYS H . . 4.450 4.274 3.910 4.453 0.003 7 0 "[ . 1 . 2]" 1
313 1 33 ASP H 1 34 CYS H . . 2.490 1.917 1.894 1.959 . 0 0 "[ . 1 . 2]" 1
314 1 86 GLN HA 1 87 ASP H . . 2.960 2.451 2.188 3.364 0.404 14 0 "[ . 1 . 2]" 1
315 1 19 GLU HA 1 20 ASP H . . 2.810 2.293 2.142 2.805 . 0 0 "[ . 1 . 2]" 1
316 1 87 ASP HA 1 88 GLU H . . 3.240 2.542 2.269 3.117 . 0 0 "[ . 1 . 2]" 1
317 1 21 SER QB 1 22 TYR H . . 3.830 3.407 2.211 3.845 0.015 13 0 "[ . 1 . 2]" 1
318 1 22 TYR H 1 22 TYR HB3 . . 4.020 3.623 3.094 4.031 0.011 20 0 "[ . 1 . 2]" 1
319 1 31 CYS HB3 1 36 LYS H . . 3.230 2.129 1.947 2.257 . 0 0 "[ . 1 . 2]" 1
320 1 35 PHE QB 1 36 LYS H . . 4.470 3.876 3.836 3.908 . 0 0 "[ . 1 . 2]" 1
321 1 20 ASP H 1 20 ASP QB . . 3.130 2.815 2.381 3.130 . 0 0 "[ . 1 . 2]" 1
322 1 12 MET H 1 12 MET QG . . 3.340 2.542 2.218 3.281 . 0 0 "[ . 1 . 2]" 1
323 1 44 VAL HB 1 45 VAL H . . 3.940 3.942 3.926 3.961 0.021 7 0 "[ . 1 . 2]" 1
324 1 88 GLU H 1 88 GLU HB3 . . 3.820 2.686 2.386 3.610 . 0 0 "[ . 1 . 2]" 1
325 1 88 GLU H 1 88 GLU HB2 . . 3.820 3.156 2.368 3.649 . 0 0 "[ . 1 . 2]" 1
326 1 19 GLU QG 1 20 ASP H . . 4.660 4.380 4.052 4.549 . 0 0 "[ . 1 . 2]" 1
327 1 88 GLU H 1 88 GLU QG . . 3.980 2.721 1.929 3.995 0.015 8 0 "[ . 1 . 2]" 1
328 1 36 LYS H 1 36 LYS QG . . 4.300 4.244 3.377 4.338 0.038 12 0 "[ . 1 . 2]" 1
329 1 34 CYS H 1 55 ILE MG . . 4.390 4.322 4.200 4.395 0.005 4 0 "[ . 1 . 2]" 1
330 1 22 TYR H 1 22 TYR QD . . 3.880 3.365 2.273 3.876 . 0 0 "[ . 1 . 2]" 1
331 1 87 ASP H 1 88 GLU H . . 4.040 3.464 2.592 4.045 0.005 12 0 "[ . 1 . 2]" 1
332 1 6 SER QB 1 7 VAL H . . 3.800 2.956 2.250 3.768 . 0 0 "[ . 1 . 2]" 1
333 1 60 SER HA 1 61 ASP H . . 3.550 3.465 3.447 3.497 . 0 0 "[ . 1 . 2]" 1
334 1 81 GLU H 1 81 GLU HA . . 2.900 2.822 2.798 2.841 . 0 0 "[ . 1 . 2]" 1
335 1 31 CYS HA 1 56 CYS H . . 4.110 4.113 4.042 4.146 0.036 18 0 "[ . 1 . 2]" 1
336 1 61 ASP H 1 61 ASP HB3 . . 3.140 3.025 2.922 3.126 . 0 0 "[ . 1 . 2]" 1
337 1 59 ASN HB3 1 61 ASP H . . 3.400 3.234 3.076 3.402 0.002 15 0 "[ . 1 . 2]" 1
338 1 61 ASP H 1 61 ASP HB2 . . 3.030 2.148 2.100 2.205 . 0 0 "[ . 1 . 2]" 1
339 1 7 VAL H 1 7 VAL HB . . 3.930 3.709 2.896 3.948 0.018 17 0 "[ . 1 . 2]" 1
340 1 81 GLU H 1 81 GLU QB . . 2.440 2.247 2.233 2.257 . 0 0 "[ . 1 . 2]" 1
341 1 55 ILE HB 1 56 CYS H . . 2.980 2.248 2.028 2.383 . 0 0 "[ . 1 . 2]" 1
342 1 55 ILE MG 1 56 CYS H . . 3.320 3.323 3.294 3.341 0.021 16 0 "[ . 1 . 2]" 1
343 1 55 ILE QG 1 56 CYS H . . 4.250 3.747 3.548 3.859 . 0 0 "[ . 1 . 2]" 1
344 1 7 VAL H 1 7 VAL QG . . 3.370 2.355 1.876 2.977 . 0 0 "[ . 1 . 2]" 1
345 1 81 GLU H 1 82 LEU MD1 . . 4.630 4.165 3.896 4.579 . 0 0 "[ . 1 . 2]" 1
346 1 55 ILE HA 1 56 CYS H . . 2.940 2.463 2.407 2.565 . 0 0 "[ . 1 . 2]" 1
347 1 56 CYS H 1 57 MET H . . 3.540 2.805 2.746 2.864 . 0 0 "[ . 1 . 2]" 1
348 1 60 SER H 1 61 ASP H . . 3.070 2.501 2.349 2.622 . 0 0 "[ . 1 . 2]" 1
349 1 59 ASN HD22 1 61 ASP H . . 3.590 3.315 3.035 3.539 . 0 0 "[ . 1 . 2]" 1
350 1 20 ASP H 1 21 SER H . . 4.480 3.879 1.898 4.434 . 0 0 "[ . 1 . 2]" 1
351 1 28 TRP HE3 1 29 VAL H . . 3.610 2.689 2.383 2.912 . 0 0 "[ . 1 . 2]" 1
352 1 29 VAL H 1 37 TRP HE3 . . 4.110 2.906 2.763 3.144 . 0 0 "[ . 1 . 2]" 1
353 1 80 GLU H 1 81 GLU H . . 3.190 2.452 2.437 2.499 . 0 0 "[ . 1 . 2]" 1
354 1 81 GLU H 1 82 LEU H . . 3.010 2.750 2.690 2.819 . 0 0 "[ . 1 . 2]" 1
355 1 54 TRP HZ3 1 56 CYS H . . 4.280 3.959 3.519 4.283 0.003 7 0 "[ . 1 . 2]" 1
356 1 54 TRP HE3 1 56 CYS H . . 4.900 4.707 4.387 4.911 0.011 18 0 "[ . 1 . 2]" 1
357 1 28 TRP HA 1 29 VAL H . . 2.760 2.170 2.151 2.197 . 0 0 "[ . 1 . 2]" 1
358 1 29 VAL H 1 39 ARG HA . . 4.010 3.698 3.587 3.835 . 0 0 "[ . 1 . 2]" 1
359 1 31 CYS HB3 1 56 CYS H . . 4.920 4.542 4.459 4.626 . 0 0 "[ . 1 . 2]" 1
360 1 28 TRP HB3 1 29 VAL H . . 3.550 3.246 3.076 3.382 . 0 0 "[ . 1 . 2]" 1
361 1 33 ASP H 1 33 ASP HB3 . . 3.530 2.942 2.813 3.133 . 0 0 "[ . 1 . 2]" 1
362 1 28 TRP HB2 1 29 VAL H . . 4.400 4.316 4.207 4.399 . 0 0 "[ . 1 . 2]" 1
363 1 56 CYS H 1 57 MET QG . . 4.010 3.922 3.795 3.988 . 0 0 "[ . 1 . 2]" 1
364 1 56 CYS H 1 56 CYS HB2 . . 3.110 2.615 2.540 2.648 . 0 0 "[ . 1 . 2]" 1
365 1 80 GLU HG2 1 81 GLU H . . 4.270 3.368 2.739 3.950 . 0 0 "[ . 1 . 2]" 1
366 1 81 GLU H 1 81 GLU QG . . 4.660 4.008 3.951 4.039 . 0 0 "[ . 1 . 2]" 1
367 1 56 CYS H 1 57 MET ME . . 4.330 2.740 2.660 2.807 . 0 0 "[ . 1 . 2]" 1
368 1 29 VAL H 1 29 VAL HB . . 3.940 3.528 3.084 3.807 . 0 0 "[ . 1 . 2]" 1
369 1 97 ALA H 1 97 ALA MB . . 3.050 2.151 2.028 2.249 . 0 0 "[ . 1 . 2]" 1
370 1 29 VAL H 1 40 ILE MG . . 4.050 3.756 3.647 3.849 . 0 0 "[ . 1 . 2]" 1
371 1 33 ASP H 1 55 ILE MG . . 3.500 3.391 3.155 3.503 0.003 17 0 "[ . 1 . 2]" 1
372 1 29 VAL H 1 29 VAL MG1 . . 3.910 2.794 2.042 3.226 . 0 0 "[ . 1 . 2]" 1
373 1 18 ILE MG 1 20 ASP H . . 5.160 3.871 2.832 4.780 . 0 0 "[ . 1 . 2]" 1
374 1 40 ILE MG 1 61 ASP H . . 5.440 4.946 4.535 5.357 . 0 0 "[ . 1 . 2]" 1
375 1 31 CYS HB2 1 36 LYS H . . 3.270 3.195 2.858 3.273 0.003 19 0 "[ . 1 . 2]" 1
376 1 95 ASP H 1 97 ALA H . . 4.610 4.254 2.863 4.620 0.010 12 0 "[ . 1 . 2]" 1
377 1 29 VAL H 1 38 ARG H . . 3.580 2.751 2.560 2.862 . 0 0 "[ . 1 . 2]" 1
378 1 32 ASP H 1 56 CYS H . . 4.910 4.755 4.595 4.910 . 0 0 "[ . 1 . 2]" 1
379 1 29 VAL H 1 40 ILE H . . 4.440 4.235 4.049 4.410 . 0 0 "[ . 1 . 2]" 1
380 1 28 TRP H 1 29 VAL H . . 4.640 4.478 4.434 4.512 . 0 0 "[ . 1 . 2]" 1
381 1 29 VAL H 1 30 ARG H . . 5.040 4.394 4.346 4.446 . 0 0 "[ . 1 . 2]" 1
382 1 37 TRP H 1 37 TRP HD1 . . 3.860 3.793 3.710 3.861 0.001 8 0 "[ . 1 . 2]" 1
383 1 33 ASP H 1 55 ILE HA . . 4.980 4.634 4.540 4.754 . 0 0 "[ . 1 . 2]" 1
384 1 36 LYS HA 1 37 TRP H . . 2.730 2.218 2.174 2.270 . 0 0 "[ . 1 . 2]" 1
385 1 29 VAL H 1 37 TRP HA . . 4.550 4.438 4.234 4.560 0.010 10 0 "[ . 1 . 2]" 1
386 1 32 ASP HA 1 33 ASP H . . 3.400 2.866 2.822 2.914 . 0 0 "[ . 1 . 2]" 1
387 1 31 CYS HB3 1 33 ASP H . . 3.540 3.233 3.164 3.299 . 0 0 "[ . 1 . 2]" 1
388 1 31 CYS HB2 1 33 ASP H . . 4.620 4.393 4.334 4.445 . 0 0 "[ . 1 . 2]" 1
389 1 86 GLN QG 1 87 ASP H . . 3.760 3.034 2.394 3.853 0.093 14 0 "[ . 1 . 2]" 1
390 1 37 TRP H 1 37 TRP HB2 . . 3.100 2.177 2.150 2.212 . 0 0 "[ . 1 . 2]" 1
391 1 36 LYS QG 1 37 TRP H . . 3.720 2.567 2.253 3.740 0.020 18 0 "[ . 1 . 2]" 1
392 1 36 LYS QB 1 37 TRP H . . 3.670 3.405 2.886 3.669 . 0 0 "[ . 1 . 2]" 1
393 1 77 GLU H 1 77 GLU QB . . 2.760 2.363 2.084 2.627 . 0 0 "[ . 1 . 2]" 1
394 1 36 LYS QE 1 37 TRP H . . 4.380 4.377 4.316 4.442 0.062 7 0 "[ . 1 . 2]" 1
395 1 37 TRP H 1 71 GLN QG . . 4.690 3.621 3.243 4.164 . 0 0 "[ . 1 . 2]" 1
396 1 37 TRP H 1 37 TRP HB3 . . 3.650 3.484 3.460 3.506 . 0 0 "[ . 1 . 2]" 1
397 1 37 TRP H 1 71 GLN HE21 . . 5.500 3.069 2.832 3.403 . 0 0 "[ . 1 . 2]" 1
398 1 76 GLU HG3 1 77 GLU H . . 4.040 2.256 1.941 2.510 . 0 0 "[ . 1 . 2]" 1
399 1 93 ASP HA 1 94 CYS H . . 3.330 2.500 2.140 2.850 . 0 0 "[ . 1 . 2]" 1
400 1 16 VAL H 1 16 VAL HB . . 3.480 3.038 2.637 3.307 . 0 0 "[ . 1 . 2]" 1
401 1 16 VAL H 1 16 VAL QG . . 2.890 2.577 2.158 2.846 . 0 0 "[ . 1 . 2]" 1
402 1 43 SER H 1 44 VAL H . . 3.190 2.464 2.455 2.472 . 0 0 "[ . 1 . 2]" 1
403 1 44 VAL H 1 47 SER H . . 5.500 5.491 5.427 5.514 0.014 13 0 "[ . 1 . 2]" 1
404 1 74 SER HA 1 75 ASN H . . 3.470 2.313 2.248 2.463 . 0 0 "[ . 1 . 2]" 1
405 1 75 ASN H 1 75 ASN QB . . 3.510 2.162 2.036 2.414 . 0 0 "[ . 1 . 2]" 1
406 1 86 GLN H 1 86 GLN QG . . 3.270 3.039 1.957 3.385 0.115 15 0 "[ . 1 . 2]" 1
407 1 41 PRO HG2 1 44 VAL H . . 2.560 2.400 2.377 2.450 . 0 0 "[ . 1 . 2]" 1
408 1 40 ILE HB 1 44 VAL H . . 5.500 4.804 4.788 4.837 . 0 0 "[ . 1 . 2]" 1
409 1 75 ASN H 1 76 GLU H . . 3.830 2.813 2.723 2.857 . 0 0 "[ . 1 . 2]" 1
410 1 74 SER HB2 1 75 ASN H . . 4.030 3.700 2.677 4.037 0.007 5 0 "[ . 1 . 2]" 1
411 1 41 PRO HB2 1 44 VAL H . . 3.580 3.176 3.134 3.243 . 0 0 "[ . 1 . 2]" 1
412 1 86 GLN H 1 86 GLN HB2 . . 3.680 2.199 2.062 3.016 . 0 0 "[ . 1 . 2]" 1
413 1 42 ALA MB 1 44 VAL H . . 4.790 4.769 4.757 4.779 . 0 0 "[ . 1 . 2]" 1
414 1 44 VAL H 1 45 VAL MG1 . . 4.210 4.111 4.089 4.137 . 0 0 "[ . 1 . 2]" 1
415 1 40 ILE HG13 1 44 VAL H . . 4.570 4.608 4.589 4.621 0.051 19 0 "[ . 1 . 2]" 1
416 1 40 ILE MD 1 44 VAL H . . 4.800 4.723 4.693 4.786 . 0 0 "[ . 1 . 2]" 1
417 1 84 ILE HG12 1 86 GLN H . . 5.410 4.154 3.835 4.889 . 0 0 "[ . 1 . 2]" 1
418 1 44 VAL H 1 45 VAL HA . . 5.060 4.853 4.834 4.884 . 0 0 "[ . 1 . 2]" 1
419 1 74 SER HB3 1 75 ASN H . . 4.030 2.836 2.489 3.634 . 0 0 "[ . 1 . 2]" 1
420 1 97 ALA H 1 98 LYS H . . 3.140 2.678 2.483 2.806 . 0 0 "[ . 1 . 2]" 1
421 1 10 GLU H 1 11 PHE H . . 4.440 4.395 4.264 4.439 . 0 0 "[ . 1 . 2]" 1
422 1 55 ILE H 1 58 ASN H . . 3.710 3.588 3.549 3.611 . 0 0 "[ . 1 . 2]" 1
423 1 79 ASN H 1 80 GLU H . . 3.100 2.754 2.693 2.867 . 0 0 "[ . 1 . 2]" 1
424 1 44 VAL H 1 45 VAL H . . 2.840 2.224 2.218 2.232 . 0 0 "[ . 1 . 2]" 1
425 1 11 PHE H 1 11 PHE QD . . 4.430 3.702 2.469 4.429 . 0 0 "[ . 1 . 2]" 1
426 1 54 TRP HA 1 55 ILE H . . 2.680 2.249 2.219 2.295 . 0 0 "[ . 1 . 2]" 1
427 1 54 TRP HB2 1 55 ILE H . . 4.190 4.000 3.908 4.078 . 0 0 "[ . 1 . 2]" 1
428 1 80 GLU H 1 80 GLU HA . . 2.900 2.864 2.851 2.868 . 0 0 "[ . 1 . 2]" 1
429 1 98 LYS H 1 98 LYS HB3 . . 3.980 3.607 2.737 4.077 0.097 8 0 "[ . 1 . 2]" 1
430 1 97 ALA MB 1 98 LYS H . . 3.300 2.783 2.624 2.944 . 0 0 "[ . 1 . 2]" 1
431 1 80 GLU H 1 80 GLU QB . . 2.890 2.376 2.213 2.520 . 0 0 "[ . 1 . 2]" 1
432 1 77 GLU QG 1 80 GLU H . . 5.500 5.539 5.425 5.610 0.110 7 0 "[ . 1 . 2]" 1
433 1 79 ASN QB 1 80 GLU H . . 3.290 2.992 2.879 3.090 . 0 0 "[ . 1 . 2]" 1
434 1 54 TRP HB3 1 55 ILE H . . 4.220 3.937 3.740 4.048 . 0 0 "[ . 1 . 2]" 1
435 1 55 ILE H 1 58 ASN HB2 . . 3.540 1.928 1.906 1.942 . 0 0 "[ . 1 . 2]" 1
436 1 55 ILE H 1 55 ILE QG . . 2.650 2.121 2.020 2.284 . 0 0 "[ . 1 . 2]" 1
437 1 95 ASP HA 1 98 LYS H . . 5.120 3.711 3.429 4.126 . 0 0 "[ . 1 . 2]" 1
438 1 55 ILE H 1 58 ASN HD21 . . 5.500 4.334 4.263 4.424 . 0 0 "[ . 1 . 2]" 1
439 1 54 TRP HE3 1 55 ILE H . . 4.090 3.766 3.440 4.034 . 0 0 "[ . 1 . 2]" 1
440 1 89 ALA HA 1 90 ASP H . . 2.980 2.513 2.146 2.929 . 0 0 "[ . 1 . 2]" 1
441 1 91 ALA MB 1 92 TYR H . . 3.480 3.423 2.831 3.548 0.068 18 0 "[ . 1 . 2]" 1
442 1 55 ILE H 1 55 ILE HB . . 3.820 3.772 3.732 3.837 0.017 11 0 "[ . 1 . 2]" 1
443 1 90 ASP H 1 92 TYR H . . 4.620 4.057 2.883 4.635 0.015 17 0 "[ . 1 . 2]" 1
444 1 79 ASN HA 1 84 ILE H . . 3.160 3.192 3.167 3.224 0.064 17 0 "[ . 1 . 2]" 1
445 1 92 TYR H 1 92 TYR QD . . 3.380 2.930 1.947 3.400 0.020 18 0 "[ . 1 . 2]" 1
446 1 35 PHE H 1 35 PHE HA . . 2.780 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
447 1 92 TYR H 1 92 TYR HB2 . . 3.900 3.009 2.060 3.919 0.019 10 0 "[ . 1 . 2]" 1
448 1 30 ARG HG2 1 35 PHE H . . 4.380 4.338 4.040 4.385 0.005 6 0 "[ . 1 . 2]" 1
449 1 28 TRP H 1 82 LEU MD2 . . 4.510 3.882 3.362 4.233 . 0 0 "[ . 1 . 2]" 1
450 1 28 TRP H 1 45 VAL MG2 . . 4.860 4.410 4.278 4.568 . 0 0 "[ . 1 . 2]" 1
451 1 76 GLU H 1 78 ILE H . . 4.550 4.215 4.036 4.509 . 0 0 "[ . 1 . 2]" 1
452 1 28 TRP H 1 28 TRP HE3 . . 5.280 5.248 5.163 5.348 0.068 10 0 "[ . 1 . 2]" 1
453 1 27 ALA H 1 28 TRP H . . 4.590 4.489 4.449 4.528 . 0 0 "[ . 1 . 2]" 1
454 1 63 ARG H 1 63 ARG QD . . 3.790 2.908 2.343 3.736 . 0 0 "[ . 1 . 2]" 1
455 1 51 SER H 1 52 SER H . . 3.290 2.337 1.880 2.794 . 0 0 "[ . 1 . 2]" 1
456 1 25 GLU HA 1 26 SER H . . 3.880 3.458 2.669 3.571 . 0 0 "[ . 1 . 2]" 1
457 1 82 LEU H 1 83 GLY H . . 2.890 2.368 2.289 2.417 . 0 0 "[ . 1 . 2]" 1
458 1 16 VAL HA 1 17 THR H . . 3.040 2.780 2.475 3.051 0.011 12 0 "[ . 1 . 2]" 1
459 1 82 LEU H 1 82 LEU HB2 . . 3.000 2.536 2.470 2.624 . 0 0 "[ . 1 . 2]" 1
460 1 81 GLU QB 1 82 LEU H . . 3.060 2.334 2.313 2.371 . 0 0 "[ . 1 . 2]" 1
461 1 81 GLU QG 1 82 LEU H . . 3.360 3.295 3.137 3.377 0.017 19 0 "[ . 1 . 2]" 1
462 1 17 THR H 1 17 THR MG . . 3.470 2.761 2.281 3.393 . 0 0 "[ . 1 . 2]" 1
463 1 16 VAL QG 1 17 THR H . . 3.720 3.437 3.196 3.718 . 0 0 "[ . 1 . 2]" 1
464 1 82 LEU H 1 82 LEU MD1 . . 3.450 2.574 2.297 2.910 . 0 0 "[ . 1 . 2]" 1
465 1 82 LEU H 1 82 LEU MD2 . . 4.060 4.002 3.820 4.081 0.021 15 0 "[ . 1 . 2]" 1
466 1 16 VAL H 1 17 THR H . . 3.360 2.539 1.900 3.100 . 0 0 "[ . 1 . 2]" 1
467 1 15 ASP HA 1 17 THR H . . 4.540 4.271 3.649 4.547 0.007 20 0 "[ . 1 . 2]" 1
468 1 16 VAL HB 1 17 THR H . . 4.710 4.406 3.930 4.500 . 0 0 "[ . 1 . 2]" 1
469 1 58 ASN H 1 58 ASN HB2 . . 3.020 2.169 2.150 2.189 . 0 0 "[ . 1 . 2]" 1
470 1 58 ASN H 1 58 ASN HB3 . . 3.550 3.457 3.441 3.472 . 0 0 "[ . 1 . 2]" 1
471 1 55 ILE QG 1 58 ASN H . . 3.120 2.051 1.989 2.105 . 0 0 "[ . 1 . 2]" 1
472 1 74 SER H 1 77 GLU QG . . 3.960 3.144 2.267 3.992 0.032 12 0 "[ . 1 . 2]" 1
473 1 74 SER H 1 77 GLU QB . . 3.240 2.780 2.597 3.212 . 0 0 "[ . 1 . 2]" 1
474 1 73 MET HB3 1 74 SER H . . 3.590 2.436 2.262 2.897 . 0 0 "[ . 1 . 2]" 1
475 1 73 MET HB2 1 74 SER H . . 4.450 3.773 3.628 4.115 . 0 0 "[ . 1 . 2]" 1
476 1 73 MET HA 1 74 SER H . . 2.750 2.413 2.247 2.507 . 0 0 "[ . 1 . 2]" 1
477 1 74 SER H 1 74 SER HB2 . . 3.780 2.592 2.132 3.524 . 0 0 "[ . 1 . 2]" 1
478 1 99 ARG H 1 100 GLY H . . 3.360 2.696 1.976 3.548 0.188 20 0 "[ . 1 . 2]" 1
479 1 99 ARG HB3 1 100 GLY H . . 3.740 3.396 2.634 3.845 0.105 5 0 "[ . 1 . 2]" 1
480 1 20 ASP QB 1 21 SER H . . 3.980 3.212 2.036 4.012 0.032 1 0 "[ . 1 . 2]" 1
481 1 99 ARG HB2 1 100 GLY H . . 3.340 2.521 1.986 3.140 . 0 0 "[ . 1 . 2]" 1
482 1 21 SER H 1 21 SER QB . . 3.470 3.021 2.346 3.456 . 0 0 "[ . 1 . 2]" 1
483 1 20 ASP HA 1 21 SER H . . 3.180 2.432 2.140 3.006 . 0 0 "[ . 1 . 2]" 1
484 1 24 THR H 1 24 THR MG . . 3.960 3.458 2.044 3.954 . 0 0 "[ . 1 . 2]" 1
485 1 5 ALA MB 1 6 SER H . . 4.940 2.543 2.003 3.450 . 0 0 "[ . 1 . 2]" 1
486 1 47 SER H 1 47 SER QB . . 3.000 2.676 2.529 2.983 . 0 0 "[ . 1 . 2]" 1
487 1 46 GLY H 1 47 SER H . . 3.390 2.679 2.647 2.705 . 0 0 "[ . 1 . 2]" 1
488 1 47 SER H 1 48 ILE H . . 3.050 1.887 1.866 1.911 . 0 0 "[ . 1 . 2]" 1
489 1 47 SER H 1 48 ILE HA . . 5.160 4.565 4.547 4.577 . 0 0 "[ . 1 . 2]" 1
490 1 44 VAL HA 1 47 SER H . . 4.350 3.714 3.667 3.860 . 0 0 "[ . 1 . 2]" 1
491 1 50 GLU HB2 1 51 SER H . . 5.060 4.075 3.582 4.445 . 0 0 "[ . 1 . 2]" 1
492 1 50 GLU HB3 1 51 SER H . . 5.060 4.100 3.110 4.478 . 0 0 "[ . 1 . 2]" 1
493 1 49 ASP QB 1 51 SER H . . 4.970 4.509 3.697 4.984 0.014 12 0 "[ . 1 . 2]" 1
494 1 50 GLU QG 1 51 SER H . . 3.830 2.505 1.889 3.208 . 0 0 "[ . 1 . 2]" 1
495 1 47 SER H 1 48 ILE HB . . 5.370 5.375 5.339 5.408 0.038 2 0 "[ . 1 . 2]" 1
496 1 47 SER H 1 48 ILE MG . . 4.110 3.826 3.745 3.981 . 0 0 "[ . 1 . 2]" 1
497 1 45 VAL MG1 1 47 SER H . . 4.790 4.234 4.190 4.246 . 0 0 "[ . 1 . 2]" 1
498 1 47 SER H 1 48 ILE MD . . 5.300 4.466 4.314 4.570 . 0 0 "[ . 1 . 2]" 1
499 1 45 VAL HA 1 47 SER H . . 3.890 3.668 3.544 3.695 . 0 0 "[ . 1 . 2]" 1
500 1 45 VAL H 1 47 SER H . . 4.560 4.322 4.287 4.348 . 0 0 "[ . 1 . 2]" 1
501 1 64 PHE H 1 64 PHE QD . . 3.210 2.956 2.724 3.216 0.006 12 0 "[ . 1 . 2]" 1
502 1 62 LYS H 1 64 PHE H . . 4.400 2.962 2.798 3.579 . 0 0 "[ . 1 . 2]" 1
503 1 64 PHE H 1 66 ASP H . . 5.500 5.522 5.505 5.579 0.079 12 0 "[ . 1 . 2]" 1
504 1 66 ASP H 1 68 SER H . . 5.100 5.000 4.718 5.046 . 0 0 "[ . 1 . 2]" 1
505 1 65 ALA HA 1 66 ASP H . . 3.230 2.450 2.407 2.476 . 0 0 "[ . 1 . 2]" 1
506 1 57 MET HA 1 66 ASP H . . 3.950 3.908 3.663 3.959 0.009 5 0 "[ . 1 . 2]" 1
507 1 62 LYS HA 1 64 PHE H . . 4.330 4.155 3.991 4.352 0.022 12 0 "[ . 1 . 2]" 1
508 1 64 PHE H 1 64 PHE HB3 . . 3.860 3.624 3.548 3.686 . 0 0 "[ . 1 . 2]" 1
509 1 61 ASP HB3 1 64 PHE H . . 4.560 2.454 2.211 2.640 . 0 0 "[ . 1 . 2]" 1
510 1 64 PHE H 1 64 PHE HB2 . . 3.860 2.452 2.408 2.551 . 0 0 "[ . 1 . 2]" 1
511 1 66 ASP H 1 66 ASP HB2 . . 3.420 3.056 3.027 3.078 . 0 0 "[ . 1 . 2]" 1
512 1 56 CYS HB2 1 66 ASP H . . 3.550 3.276 3.130 3.461 . 0 0 "[ . 1 . 2]" 1
513 1 56 CYS HB3 1 66 ASP H . . 3.380 2.127 1.989 2.344 . 0 0 "[ . 1 . 2]" 1
514 1 57 MET ME 1 66 ASP H . . 5.350 4.941 4.809 5.001 . 0 0 "[ . 1 . 2]" 1
515 1 63 ARG HB2 1 64 PHE H . . 3.790 3.345 2.840 3.787 . 0 0 "[ . 1 . 2]" 1
516 1 64 PHE H 1 65 ALA MB . . 3.670 3.552 3.509 3.656 . 0 0 "[ . 1 . 2]" 1
517 1 63 ARG HB3 1 64 PHE H . . 3.790 3.551 3.130 3.823 0.033 12 0 "[ . 1 . 2]" 1
518 1 66 ASP H 1 69 LYS QG . . 3.180 2.907 2.219 3.180 0.000 11 0 "[ . 1 . 2]" 1
519 1 65 ALA MB 1 66 ASP H . . 3.860 3.701 3.688 3.708 . 0 0 "[ . 1 . 2]" 1
520 1 56 CYS HA 1 66 ASP H . . 4.040 3.926 3.872 4.020 . 0 0 "[ . 1 . 2]" 1
521 1 64 PHE HA 1 66 ASP H . . 4.230 4.119 4.074 4.200 . 0 0 "[ . 1 . 2]" 1
522 1 66 ASP H 1 67 CYS H . . 4.300 4.181 4.163 4.250 . 0 0 "[ . 1 . 2]" 1
523 1 63 ARG H 1 64 PHE H . . 3.000 2.356 1.997 2.550 . 0 0 "[ . 1 . 2]" 1
524 1 73 MET H 1 78 ILE MD . . 4.360 3.474 3.040 3.639 . 0 0 "[ . 1 . 2]" 1
525 1 72 GLU QB 1 73 MET H . . 3.610 2.509 2.092 2.655 . 0 0 "[ . 1 . 2]" 1
526 1 73 MET H 1 73 MET HB2 . . 3.470 2.631 2.531 2.718 . 0 0 "[ . 1 . 2]" 1
527 1 57 MET H 1 57 MET QB . . 2.740 2.554 2.538 2.588 . 0 0 "[ . 1 . 2]" 1
528 1 57 MET H 1 57 MET QG . . 3.260 2.125 2.067 2.155 . 0 0 "[ . 1 . 2]" 1
529 1 71 GLN HE22 1 71 GLN QG . . 3.400 3.220 3.219 3.221 . 0 0 "[ . 1 . 2]" 1
530 1 71 GLN QG 1 73 MET H . . 3.520 2.030 1.923 2.470 . 0 0 "[ . 1 . 2]" 1
531 1 68 SER H 1 69 LYS H . . 3.100 2.525 2.429 2.617 . 0 0 "[ . 1 . 2]" 1
532 1 56 CYS HB2 1 57 MET H . . 3.620 2.338 2.301 2.369 . 0 0 "[ . 1 . 2]" 1
533 1 56 CYS HB3 1 57 MET H . . 3.750 3.540 3.462 3.578 . 0 0 "[ . 1 . 2]" 1
534 1 36 LYS QG 1 71 GLN HE21 . . 5.500 3.760 3.373 5.341 . 0 0 "[ . 1 . 2]" 1
535 1 71 GLN HE21 1 78 ILE MD . . 3.710 1.893 1.834 1.940 . 0 0 "[ . 1 . 2]" 1
536 1 68 SER H 1 68 SER HB2 . . 3.500 2.379 2.076 3.444 . 0 0 "[ . 1 . 2]" 1
537 1 71 GLN HE22 1 75 ASN HA . . 4.660 3.737 3.531 4.014 . 0 0 "[ . 1 . 2]" 1
538 1 71 GLN HA 1 73 MET H . . 5.130 4.428 4.327 4.692 . 0 0 "[ . 1 . 2]" 1
539 1 71 GLN HE21 1 73 MET H . . 5.000 3.432 3.010 3.575 . 0 0 "[ . 1 . 2]" 1
540 1 57 MET H 1 66 ASP H . . 4.620 4.395 4.300 4.458 . 0 0 "[ . 1 . 2]" 1
541 1 37 TRP HD1 1 71 GLN HE22 . . 4.090 3.271 2.808 3.530 . 0 0 "[ . 1 . 2]" 1
542 1 37 TRP HD1 1 71 GLN HE21 . . 4.060 3.839 3.553 4.071 0.011 7 0 "[ . 1 . 2]" 1
543 1 57 MET H 1 58 ASN HD21 . . 4.820 4.420 4.338 4.487 . 0 0 "[ . 1 . 2]" 1
544 1 71 GLN HE22 1 74 SER HA . . 5.100 4.625 4.173 5.115 0.015 15 0 "[ . 1 . 2]" 1
545 1 67 CYS HA 1 68 SER H . . 3.550 3.446 3.371 3.462 . 0 0 "[ . 1 . 2]" 1
546 1 68 SER H 1 68 SER HB3 . . 3.500 3.034 2.250 3.460 . 0 0 "[ . 1 . 2]" 1
547 1 66 ASP HB3 1 68 SER H . . 3.800 2.340 2.117 2.375 . 0 0 "[ . 1 . 2]" 1
548 1 67 CYS HB2 1 68 SER H . . 3.810 3.180 3.099 3.406 . 0 0 "[ . 1 . 2]" 1
549 1 71 GLN HE22 1 75 ASN QB . . 5.220 4.885 4.540 5.083 . 0 0 "[ . 1 . 2]" 1
550 1 68 SER H 1 69 LYS QG . . 3.940 3.750 3.601 4.007 0.067 13 0 "[ . 1 . 2]" 1
551 1 57 MET H 1 65 ALA MB . . 5.080 4.898 4.737 4.991 . 0 0 "[ . 1 . 2]" 1
552 1 84 ILE MG 1 85 GLY H . . 3.540 3.551 3.529 3.571 0.031 14 0 "[ . 1 . 2]" 1
553 1 67 CYS HB3 1 68 SER H . . 3.860 3.646 3.560 3.875 0.015 18 0 "[ . 1 . 2]" 1
554 1 84 ILE HA 1 85 GLY H . . 2.730 2.654 2.642 2.673 . 0 0 "[ . 1 . 2]" 1
555 1 57 MET H 1 66 ASP HA . . 4.460 3.073 2.982 3.153 . 0 0 "[ . 1 . 2]" 1
556 1 66 ASP HA 1 68 SER H . . 4.140 3.867 3.810 3.895 . 0 0 "[ . 1 . 2]" 1
557 1 57 MET H 1 65 ALA HA . . 4.890 4.879 4.787 4.909 0.019 13 0 "[ . 1 . 2]" 1
558 1 71 GLN HE21 1 74 SER HA . . 5.040 4.882 4.476 5.047 0.007 13 0 "[ . 1 . 2]" 1
559 1 55 ILE HA 1 57 MET H . . 4.790 4.696 4.608 4.836 0.046 18 0 "[ . 1 . 2]" 1
560 1 84 ILE H 1 85 GLY H . . 4.430 4.436 4.427 4.442 0.012 5 0 "[ . 1 . 2]" 1
561 1 37 TRP HA 1 71 GLN HE21 . . 5.500 4.708 4.594 4.884 . 0 0 "[ . 1 . 2]" 1
562 1 84 ILE HG13 1 85 GLY H . . 3.430 3.042 2.915 3.153 . 0 0 "[ . 1 . 2]" 1
563 1 84 ILE HB 1 85 GLY H . . 3.460 1.939 1.930 1.944 . 0 0 "[ . 1 . 2]" 1
564 1 85 GLY H 1 86 GLN H . . 3.700 3.393 2.557 3.709 0.009 14 0 "[ . 1 . 2]" 1
565 1 67 CYS H 1 68 SER H . . 3.210 2.596 2.554 2.642 . 0 0 "[ . 1 . 2]" 1
566 1 86 GLN HE22 1 86 GLN QG . . 3.560 3.225 3.218 3.288 . 0 0 "[ . 1 . 2]" 1
567 1 84 ILE HG12 1 85 GLY H . . 4.480 4.228 4.141 4.310 . 0 0 "[ . 1 . 2]" 1
568 1 82 LEU MD2 1 86 GLN HE21 . . 5.500 5.413 5.000 5.523 0.023 17 0 "[ . 1 . 2]" 1
569 1 82 LEU MD2 1 86 GLN HE22 . . 5.500 5.513 5.475 5.538 0.038 18 0 "[ . 1 . 2]" 1
570 1 71 GLN HE21 1 72 GLU QB . . 5.500 4.841 4.187 5.146 . 0 0 "[ . 1 . 2]" 1
571 1 7 VAL HB 1 8 GLY H . . 4.130 2.591 1.863 4.034 . 0 0 "[ . 1 . 2]" 1
572 1 7 VAL QG 1 8 GLY H . . 3.920 2.867 2.121 3.406 . 0 0 "[ . 1 . 2]" 1
573 1 7 VAL HA 1 8 GLY H . . 3.100 2.434 2.202 2.779 . 0 0 "[ . 1 . 2]" 1
574 1 38 ARG HE 1 64 PHE QD . . 4.420 3.251 2.754 3.795 . 0 0 "[ . 1 . 2]" 1
575 1 38 ARG HE 1 59 ASN HD21 . . 3.530 3.108 2.202 3.556 0.026 12 0 "[ . 1 . 2]" 1
576 1 54 TRP HZ2 1 59 ASN HD21 . . 4.460 4.112 3.737 4.464 0.004 12 0 "[ . 1 . 2]" 1
577 1 54 TRP HH2 1 59 ASN HD21 . . 4.940 4.566 4.220 4.949 0.009 15 0 "[ . 1 . 2]" 1
578 1 59 ASN HD21 1 64 PHE HB2 . . 3.430 3.390 3.266 3.420 . 0 0 "[ . 1 . 2]" 1
579 1 59 ASN HD22 1 64 PHE HB2 . . 4.000 3.617 3.218 3.781 . 0 0 "[ . 1 . 2]" 1
580 1 59 ASN HD21 1 64 PHE HB3 . . 3.430 3.002 2.739 3.109 . 0 0 "[ . 1 . 2]" 1
581 1 59 ASN HD22 1 64 PHE HB3 . . 4.000 3.539 3.284 3.749 . 0 0 "[ . 1 . 2]" 1
582 1 59 ASN HB3 1 59 ASN HD22 . . 3.670 3.541 3.506 3.567 . 0 0 "[ . 1 . 2]" 1
583 1 59 ASN HB2 1 59 ASN HD22 . . 4.010 3.698 3.663 3.748 . 0 0 "[ . 1 . 2]" 1
584 1 38 ARG HE 1 38 ARG QG . . 3.490 2.407 2.172 3.061 . 0 0 "[ . 1 . 2]" 1
585 1 38 ARG QB 1 38 ARG HE . . 4.080 3.980 3.223 4.114 0.034 16 0 "[ . 1 . 2]" 1
586 1 75 ASN QB 1 75 ASN HD22 . . 3.520 3.424 3.368 3.447 . 0 0 "[ . 1 . 2]" 1
587 1 42 ALA H 1 43 SER H . . 3.880 2.599 2.583 2.611 . 0 0 "[ . 1 . 2]" 1
588 1 43 SER H 1 45 VAL H . . 4.670 3.690 3.657 3.739 . 0 0 "[ . 1 . 2]" 1
589 1 26 SER HA 1 43 SER H . . 5.500 5.210 4.903 5.439 . 0 0 "[ . 1 . 2]" 1
590 1 43 SER H 1 43 SER HB2 . . 3.760 2.314 2.099 2.995 . 0 0 "[ . 1 . 2]" 1
591 1 41 PRO HG2 1 43 SER H . . 3.620 3.434 3.388 3.462 . 0 0 "[ . 1 . 2]" 1
592 1 41 PRO HB3 1 43 SER H . . 4.680 3.855 3.847 3.859 . 0 0 "[ . 1 . 2]" 1
593 1 42 ALA MB 1 43 SER H . . 3.610 3.129 3.096 3.163 . 0 0 "[ . 1 . 2]" 1
594 1 76 GLU HA 1 79 ASN HD21 . . 4.480 2.242 1.949 2.865 . 0 0 "[ . 1 . 2]" 1
595 1 76 GLU HA 1 79 ASN HD22 . . 4.480 3.697 3.394 4.289 . 0 0 "[ . 1 . 2]" 1
596 1 79 ASN HD22 1 80 GLU H . . 4.670 3.381 3.235 3.576 . 0 0 "[ . 1 . 2]" 1
597 1 79 ASN HD21 1 80 GLU H . . 4.670 2.507 2.337 2.947 . 0 0 "[ . 1 . 2]" 1
598 1 79 ASN QB 1 79 ASN HD22 . . 3.380 3.279 3.246 3.298 . 0 0 "[ . 1 . 2]" 1
599 1 45 VAL H 1 46 GLY H . . 3.530 2.714 2.673 2.730 . 0 0 "[ . 1 . 2]" 1
600 1 30 ARG HE 1 35 PHE QD . . 4.320 3.623 2.985 4.189 . 0 0 "[ . 1 . 2]" 1
601 1 30 ARG HE 1 31 CYS HA . . 4.090 3.904 3.586 4.043 . 0 0 "[ . 1 . 2]" 1
602 1 45 VAL HA 1 46 GLY H . . 3.570 3.466 3.462 3.470 . 0 0 "[ . 1 . 2]" 1
603 1 30 ARG HE 1 31 CYS HB3 . . 5.100 4.488 4.424 4.680 . 0 0 "[ . 1 . 2]" 1
604 1 30 ARG HE 1 35 PHE QB . . 5.290 4.772 4.282 5.181 . 0 0 "[ . 1 . 2]" 1
605 1 30 ARG HB3 1 30 ARG HE . . 4.100 2.618 2.452 2.690 . 0 0 "[ . 1 . 2]" 1
606 1 30 ARG HB2 1 30 ARG HE . . 4.100 3.984 3.852 4.033 . 0 0 "[ . 1 . 2]" 1
607 1 30 ARG HE 1 30 ARG HG3 . . 3.790 3.600 3.586 3.616 . 0 0 "[ . 1 . 2]" 1
608 1 30 ARG HE 1 30 ARG HG2 . . 3.800 2.427 2.400 2.490 . 0 0 "[ . 1 . 2]" 1
609 1 45 VAL MG1 1 46 GLY H . . 3.400 2.229 2.199 2.293 . 0 0 "[ . 1 . 2]" 1
610 1 30 ARG HA 1 30 ARG HE . . 4.140 4.102 3.932 4.154 0.014 18 0 "[ . 1 . 2]" 1
611 1 45 VAL HB 1 46 GLY H . . 4.090 3.849 3.825 3.862 . 0 0 "[ . 1 . 2]" 1
612 1 82 LEU HA 1 83 GLY H . . 3.540 3.485 3.482 3.487 . 0 0 "[ . 1 . 2]" 1
613 1 82 LEU HB3 1 83 GLY H . . 4.440 3.944 3.891 4.011 . 0 0 "[ . 1 . 2]" 1
614 1 82 LEU HG 1 83 GLY H . . 4.880 4.530 4.342 4.624 . 0 0 "[ . 1 . 2]" 1
615 1 82 LEU HB2 1 83 GLY H . . 3.360 2.868 2.857 2.883 . 0 0 "[ . 1 . 2]" 1
616 1 42 ALA MB 1 46 GLY H . . 5.160 5.013 4.826 5.103 . 0 0 "[ . 1 . 2]" 1
617 1 81 GLU QB 1 83 GLY H . . 4.390 4.349 4.325 4.374 . 0 0 "[ . 1 . 2]" 1
618 1 82 LEU MD2 1 83 GLY H . . 5.180 5.045 4.990 5.071 . 0 0 "[ . 1 . 2]" 1
619 1 82 LEU MD1 1 83 GLY H . . 4.840 3.900 3.576 4.144 . 0 0 "[ . 1 . 2]" 1
620 1 83 GLY H 1 84 ILE MG . . 3.990 3.935 3.691 3.996 0.006 15 0 "[ . 1 . 2]" 1
621 1 39 ARG HE 1 39 ARG HG2 . . 3.790 2.936 2.769 3.348 . 0 0 "[ . 1 . 2]" 1
622 1 39 ARG HE 1 39 ARG HG3 . . 3.790 2.359 2.165 3.143 . 0 0 "[ . 1 . 2]" 1
623 1 58 ASN HA 1 58 ASN HD22 . . 3.740 3.427 3.405 3.452 . 0 0 "[ . 1 . 2]" 1
624 1 58 ASN HA 1 58 ASN HD21 . . 3.910 2.374 2.336 2.414 . 0 0 "[ . 1 . 2]" 1
625 1 55 ILE QG 1 58 ASN HD21 . . 4.340 2.150 2.122 2.184 . 0 0 "[ . 1 . 2]" 1
626 1 55 ILE MD 1 58 ASN HD21 . . 4.740 2.192 2.163 2.235 . 0 0 "[ . 1 . 2]" 1
627 1 55 ILE MD 1 58 ASN HD22 . . 4.430 2.358 2.332 2.379 . 0 0 "[ . 1 . 2]" 1
628 1 32 ASP H 1 54 TRP HB3 . . 4.990 4.916 4.349 4.999 0.009 12 0 "[ . 1 . 2]" 1
629 1 28 TRP HE1 1 81 GLU QG . . 3.630 1.891 1.853 1.978 . 0 0 "[ . 1 . 2]" 1
630 1 37 TRP HE1 1 75 ASN HA . . 5.500 5.556 5.529 5.603 0.103 15 0 "[ . 1 . 2]" 1
631 1 37 TRP HE1 1 78 ILE MD . . 4.100 3.996 3.840 4.120 0.020 10 0 "[ . 1 . 2]" 1
632 1 37 TRP HE1 1 82 LEU MD1 . . 5.500 4.000 3.563 4.311 . 0 0 "[ . 1 . 2]" 1
633 1 37 TRP HE1 1 82 LEU MD2 . . 5.500 5.564 5.533 5.601 0.101 12 0 "[ . 1 . 2]" 1
634 1 21 SER HA 1 28 TRP H . . 5.500 5.166 3.671 5.529 0.029 13 0 "[ . 1 . 2]" 1
635 1 78 ILE MD 1 79 ASN H . . 4.510 4.298 4.043 4.428 . 0 0 "[ . 1 . 2]" 1
636 1 28 TRP HE1 1 82 LEU HA . . 5.500 5.002 4.837 5.268 . 0 0 "[ . 1 . 2]" 1
637 1 64 PHE H 1 65 ALA HA . . 4.690 4.616 4.545 4.683 . 0 0 "[ . 1 . 2]" 1
638 1 59 ASN HB3 1 64 PHE H . . 5.500 5.263 4.969 5.372 . 0 0 "[ . 1 . 2]" 1
639 1 62 LYS QE 1 64 PHE H . . 5.500 5.372 4.873 5.505 0.005 6 0 "[ . 1 . 2]" 1
640 1 59 ASN HD21 1 64 PHE H . . 4.570 4.276 3.841 4.571 0.001 14 0 "[ . 1 . 2]" 1
641 1 54 TRP HE1 1 60 SER H . . 4.330 4.033 3.676 4.339 0.009 7 0 "[ . 1 . 2]" 1
642 1 37 TRP HA 1 37 TRP HE1 . . 5.500 5.414 5.391 5.440 . 0 0 "[ . 1 . 2]" 1
643 1 55 ILE H 1 58 ASN HB3 . . 3.530 2.985 2.923 3.026 . 0 0 "[ . 1 . 2]" 1
644 1 55 ILE H 1 57 MET QG . . 4.700 4.572 4.503 4.692 . 0 0 "[ . 1 . 2]" 1
645 1 87 ASP H 1 87 ASP HB2 . . 3.620 2.617 2.202 3.618 . 0 0 "[ . 1 . 2]" 1
646 1 50 GLU H 1 52 SER H . . 4.950 4.089 3.114 5.014 0.064 7 0 "[ . 1 . 2]" 1
647 1 22 TYR H 1 22 TYR HB2 . . 4.020 2.600 2.110 3.523 . 0 0 "[ . 1 . 2]" 1
648 1 33 ASP HB3 1 34 CYS H . . 3.970 2.564 2.497 2.621 . 0 0 "[ . 1 . 2]" 1
649 1 36 LYS QD 1 37 TRP H . . 3.810 3.503 2.263 3.810 . 0 0 "[ . 1 . 2]" 1
650 1 33 ASP H 1 33 ASP HB2 . . 3.530 3.133 2.908 3.267 . 0 0 "[ . 1 . 2]" 1
651 1 55 ILE QG 1 57 MET H . . 3.380 3.344 3.248 3.382 0.002 5 0 "[ . 1 . 2]" 1
652 1 57 MET H 1 58 ASN H . . 3.310 2.667 2.664 2.671 . 0 0 "[ . 1 . 2]" 1
653 1 58 ASN H 1 58 ASN HD21 . . 3.440 2.692 2.634 2.725 . 0 0 "[ . 1 . 2]" 1
654 1 74 SER H 1 74 SER HB3 . . 3.780 3.492 2.570 3.630 . 0 0 "[ . 1 . 2]" 1
655 1 22 TYR HA 1 23 SER H . . 3.710 3.036 2.274 3.570 . 0 0 "[ . 1 . 2]" 1
656 1 58 ASN H 1 59 ASN HB2 . . 4.500 4.369 4.303 4.505 0.005 15 0 "[ . 1 . 2]" 1
657 1 56 CYS HA 1 58 ASN H . . 4.020 3.834 3.815 3.857 . 0 0 "[ . 1 . 2]" 1
658 1 57 MET QB 1 58 ASN H . . 3.700 3.645 3.635 3.660 . 0 0 "[ . 1 . 2]" 1
659 1 57 MET QG 1 58 ASN H . . 2.980 2.342 2.314 2.396 . 0 0 "[ . 1 . 2]" 1
660 1 74 SER H 1 77 GLU H . . 4.340 3.944 3.819 4.219 . 0 0 "[ . 1 . 2]" 1
661 1 74 SER H 1 78 ILE H . . 5.230 4.525 4.375 4.851 . 0 0 "[ . 1 . 2]" 1
662 1 56 CYS H 1 58 ASN H . . 3.970 3.862 3.778 3.909 . 0 0 "[ . 1 . 2]" 1
663 1 74 SER H 1 75 ASN H . . 4.780 4.608 4.579 4.638 . 0 0 "[ . 1 . 2]" 1
664 1 73 MET H 1 74 SER H . . 4.800 4.436 4.403 4.474 . 0 0 "[ . 1 . 2]" 1
665 1 32 ASP H 1 35 PHE H . . 4.700 4.703 4.671 4.728 0.028 18 0 "[ . 1 . 2]" 1
666 1 42 ALA H 1 43 SER HA . . 5.430 5.124 5.098 5.137 . 0 0 "[ . 1 . 2]" 1
667 1 28 TRP H 1 40 ILE MD . . 5.470 5.442 5.327 5.493 0.023 10 0 "[ . 1 . 2]" 1
668 1 30 ARG QD 1 35 PHE H . . 4.700 4.613 4.314 4.704 0.004 10 0 "[ . 1 . 2]" 1
669 1 42 ALA H 1 45 VAL MG1 . . 4.340 4.323 4.308 4.342 0.002 7 0 "[ . 1 . 2]" 1
670 1 30 ARG H 1 30 ARG HB2 . . 3.350 2.852 2.826 2.892 . 0 0 "[ . 1 . 2]" 1
671 1 39 ARG H 1 39 ARG QD . . 4.560 4.484 4.277 4.555 . 0 0 "[ . 1 . 2]" 1
672 1 47 SER H 1 49 ASP H . . 4.100 2.980 2.775 3.093 . 0 0 "[ . 1 . 2]" 1
673 1 27 ALA H 1 45 VAL HB . . 3.970 3.810 3.632 3.968 . 0 0 "[ . 1 . 2]" 1
674 1 62 LYS H 1 62 LYS HB3 . . 3.930 3.524 3.133 3.870 . 0 0 "[ . 1 . 2]" 1
675 1 95 ASP H 1 96 ALA H . . 3.840 2.338 1.901 2.780 . 0 0 "[ . 1 . 2]" 1
676 1 95 ASP H 1 95 ASP HB3 . . 4.040 3.524 2.523 4.028 . 0 0 "[ . 1 . 2]" 1
677 1 29 VAL H 1 38 ARG QB . . 3.770 3.635 3.431 3.786 0.016 16 0 "[ . 1 . 2]" 1
678 1 29 VAL H 1 40 ILE MD . . 4.560 4.390 4.157 4.541 . 0 0 "[ . 1 . 2]" 1
679 1 29 VAL H 1 37 TRP HZ3 . . 4.200 3.300 3.115 3.666 . 0 0 "[ . 1 . 2]" 1
680 1 77 GLU H 1 78 ILE HB . . 5.210 5.019 4.928 5.056 . 0 0 "[ . 1 . 2]" 1
681 1 44 VAL HA 1 46 GLY H . . 3.840 3.681 3.640 3.757 . 0 0 "[ . 1 . 2]" 1
682 1 46 GLY H 1 48 ILE H . . 4.240 4.245 4.204 4.257 0.017 15 0 "[ . 1 . 2]" 1
683 1 43 SER H 1 43 SER HB3 . . 3.760 3.080 2.219 3.602 . 0 0 "[ . 1 . 2]" 1
684 1 41 PRO HA 1 43 SER H . . 3.870 3.814 3.803 3.826 . 0 0 "[ . 1 . 2]" 1
685 1 75 ASN HD21 1 78 ILE H . . 5.500 5.407 5.125 5.512 0.012 17 0 "[ . 1 . 2]" 1
686 1 41 PRO HB2 1 43 SER H . . 5.500 2.178 2.161 2.186 . 0 0 "[ . 1 . 2]" 1
687 1 57 MET ME 1 68 SER H . . 4.510 4.527 4.509 4.602 0.092 18 0 "[ . 1 . 2]" 1
688 1 51 SER H 1 53 ARG H . . 4.560 3.481 2.982 4.377 . 0 0 "[ . 1 . 2]" 1
689 1 78 ILE MG 1 82 LEU H . . 3.840 3.818 3.719 3.878 0.038 15 0 "[ . 1 . 2]" 1
690 1 79 ASN QB 1 82 LEU H . . 5.500 5.427 5.346 5.497 . 0 0 "[ . 1 . 2]" 1
691 1 82 LEU H 1 84 ILE HG12 . . 4.230 4.196 4.145 4.256 0.026 15 0 "[ . 1 . 2]" 1
692 1 26 SER H 1 42 ALA MB . . 3.930 3.754 2.849 3.964 0.034 13 0 "[ . 1 . 2]" 1
693 1 26 SER H 1 26 SER QB . . 3.440 2.692 2.317 3.293 . 0 0 "[ . 1 . 2]" 1
694 1 26 SER H 1 27 ALA H . . 4.770 4.549 4.218 4.638 . 0 0 "[ . 1 . 2]" 1
695 1 98 LYS H 1 98 LYS QD . . 3.870 3.296 2.078 3.884 0.014 18 0 "[ . 1 . 2]" 1
696 1 71 GLN HE21 1 75 ASN H . . 5.440 5.337 5.053 5.457 0.017 10 0 "[ . 1 . 2]" 1
697 1 16 VAL H 1 17 THR MG . . 4.540 3.679 2.791 4.564 0.024 6 0 "[ . 1 . 2]" 1
698 1 32 ASP H 1 55 ILE HB . . 4.780 4.500 4.173 4.620 . 0 0 "[ . 1 . 2]" 1
699 1 3 ARG QG 1 4 ARG H . . 4.420 3.718 2.146 4.396 . 0 0 "[ . 1 . 2]" 1
700 1 30 ARG HB2 1 38 ARG H . . 5.140 5.116 5.047 5.159 0.019 18 0 "[ . 1 . 2]" 1
701 1 38 ARG H 1 40 ILE MG . . 4.880 4.842 4.760 4.896 0.016 10 0 "[ . 1 . 2]" 1
702 1 36 LYS H 1 36 LYS QB . . 3.050 2.614 2.342 2.692 . 0 0 "[ . 1 . 2]" 1
703 1 58 ASN H 1 65 ALA MB . . 4.660 4.521 4.412 4.622 . 0 0 "[ . 1 . 2]" 1
704 1 28 TRP HE3 1 40 ILE H . . 5.360 5.006 4.857 5.214 . 0 0 "[ . 1 . 2]" 1
705 1 28 TRP HE1 1 82 LEU H . . 4.450 4.481 4.467 4.544 0.094 10 0 "[ . 1 . 2]" 1
706 1 55 ILE H 1 57 MET ME . . 5.500 5.232 5.158 5.437 . 0 0 "[ . 1 . 2]" 1
707 1 54 TRP H 1 55 ILE H . . 4.390 4.281 4.217 4.408 0.018 11 0 "[ . 1 . 2]" 1
708 1 32 ASP H 1 55 ILE H . . 5.190 4.799 4.659 4.915 . 0 0 "[ . 1 . 2]" 1
709 1 81 GLU QG 1 83 GLY H . . 5.390 5.139 5.002 5.245 . 0 0 "[ . 1 . 2]" 1
710 1 39 ARG HE 1 73 MET ME . . 5.050 4.880 4.123 5.056 0.006 10 0 "[ . 1 . 2]" 1
711 1 59 ASN HD21 1 65 ALA HA . . 5.500 2.869 2.691 2.957 . 0 0 "[ . 1 . 2]" 1
712 1 59 ASN HD22 1 65 ALA HA . . 5.500 4.557 4.374 4.660 . 0 0 "[ . 1 . 2]" 1
713 1 71 GLN HE22 1 75 ASN H . . 5.190 4.416 4.172 4.729 . 0 0 "[ . 1 . 2]" 1
714 1 28 TRP HE1 1 82 LEU HG . . 4.240 3.033 2.733 3.305 . 0 0 "[ . 1 . 2]" 1
715 1 54 TRP HE1 1 58 ASN HB3 . . 3.790 3.571 3.286 3.797 0.007 18 0 "[ . 1 . 2]" 1
716 1 32 ASP H 1 53 ARG QG . . 5.500 5.460 4.875 5.519 0.019 7 0 "[ . 1 . 2]" 1
717 1 31 CYS H 1 54 TRP HE3 . . 4.290 3.853 3.653 4.176 . 0 0 "[ . 1 . 2]" 1
718 1 29 VAL HB 1 38 ARG H . . 5.500 5.158 4.867 5.454 . 0 0 "[ . 1 . 2]" 1
719 1 59 ASN HA 1 60 SER H . . 2.880 2.281 2.203 2.376 . 0 0 "[ . 1 . 2]" 1
720 1 49 ASP HA 1 50 GLU H . . 3.050 2.532 2.224 3.051 0.001 2 0 "[ . 1 . 2]" 1
721 1 28 TRP HZ3 1 38 ARG H . . 4.450 3.286 2.893 3.642 . 0 0 "[ . 1 . 2]" 1
722 1 41 PRO HB2 1 45 VAL H . . 5.040 4.709 4.679 4.782 . 0 0 "[ . 1 . 2]" 1
723 1 38 ARG HA 1 38 ARG HE . . 4.940 4.386 3.936 4.734 . 0 0 "[ . 1 . 2]" 1
724 1 38 ARG HE 1 59 ASN HB2 . . 5.310 4.452 3.631 5.134 . 0 0 "[ . 1 . 2]" 1
725 1 38 ARG QG 1 59 ASN HD21 . . 4.590 3.632 3.050 4.587 . 0 0 "[ . 1 . 2]" 1
726 1 59 ASN HD22 1 61 ASP HB2 . . 3.510 2.538 1.962 2.817 . 0 0 "[ . 1 . 2]" 1
727 1 59 ASN HD21 1 61 ASP HB2 . . 4.510 3.162 2.821 3.450 . 0 0 "[ . 1 . 2]" 1
728 1 38 ARG HE 1 54 TRP HH2 . . 4.620 3.987 3.534 4.636 0.016 7 0 "[ . 1 . 2]" 1
729 1 38 ARG HE 1 54 TRP HZ2 . . 5.500 5.036 4.251 5.504 0.004 11 0 "[ . 1 . 2]" 1
730 1 38 ARG QD 1 59 ASN HD22 . . 5.150 4.154 2.630 5.156 0.006 17 0 "[ . 1 . 2]" 1
731 1 59 ASN HD22 1 61 ASP HB3 . . 5.500 3.394 2.650 3.751 . 0 0 "[ . 1 . 2]" 1
732 1 73 MET H 1 73 MET ME . . 5.340 4.479 4.130 4.643 . 0 0 "[ . 1 . 2]" 1
733 1 96 ALA HA 1 98 LYS H . . 4.090 3.907 3.674 4.090 . 0 0 "[ . 1 . 2]" 1
734 1 10 GLU HA 1 11 PHE H . . 3.020 2.432 2.138 2.691 . 0 0 "[ . 1 . 2]" 1
735 1 91 ALA HA 1 92 TYR H . . 3.210 2.968 2.185 3.504 0.294 20 0 "[ . 1 . 2]" 1
736 1 15 ASP HA 1 16 VAL H . . 2.820 2.302 2.139 2.716 . 0 0 "[ . 1 . 2]" 1
737 1 25 GLU HG2 1 26 SER H . . 5.500 3.923 2.495 4.957 . 0 0 "[ . 1 . 2]" 1
738 1 25 GLU HG3 1 26 SER H . . 5.500 4.241 3.715 4.724 . 0 0 "[ . 1 . 2]" 1
739 1 78 ILE HA 1 82 LEU H . . 4.410 3.906 3.848 3.978 . 0 0 "[ . 1 . 2]" 1
740 1 98 LYS H 1 98 LYS QE . . 4.330 4.019 2.880 4.338 0.008 8 0 "[ . 1 . 2]" 1
741 1 88 GLU QG 1 90 ASP H . . 5.500 4.782 2.934 5.546 0.046 4 0 "[ . 1 . 2]" 1
742 1 33 ASP H 1 35 PHE QD . . 5.120 4.455 3.264 4.781 . 0 0 "[ . 1 . 2]" 1
743 1 29 VAL H 1 40 ILE HG12 . . 4.540 4.351 4.138 4.515 . 0 0 "[ . 1 . 2]" 1
744 1 47 SER HA 1 49 ASP H . . 4.290 3.946 3.792 4.246 . 0 0 "[ . 1 . 2]" 1
745 1 9 SER H 1 10 GLU HA . . 4.780 4.660 3.918 4.776 . 0 0 "[ . 1 . 2]" 1
746 1 84 ILE HB 1 86 GLN H . . 5.000 4.086 3.294 4.642 . 0 0 "[ . 1 . 2]" 1
747 1 98 LYS H 1 98 LYS HB2 . . 3.980 2.995 2.065 3.907 . 0 0 "[ . 1 . 2]" 1
748 1 6 SER HA 1 7 VAL H . . 3.160 2.373 2.140 2.960 . 0 0 "[ . 1 . 2]" 1
749 1 96 ALA HA 1 97 ALA H . . 3.500 3.474 3.446 3.502 0.002 4 0 "[ . 1 . 2]" 1
750 1 11 PHE HA 1 12 MET H . . 2.970 2.320 2.140 2.718 . 0 0 "[ . 1 . 2]" 1
751 1 21 SER HA 1 22 TYR H . . 3.110 2.511 2.157 3.045 . 0 0 "[ . 1 . 2]" 1
752 1 59 ASN H 1 65 ALA HA . . 3.750 3.542 3.456 3.581 . 0 0 "[ . 1 . 2]" 1
753 1 58 ASN HA 1 59 ASN H . . 3.330 3.342 3.334 3.353 0.023 15 0 "[ . 1 . 2]" 1
754 1 98 LYS HA 1 99 ARG H . . 2.710 2.445 2.143 2.711 0.001 2 0 "[ . 1 . 2]" 1
755 1 10 GLU H 1 10 GLU HG3 . . 4.860 4.165 3.174 4.622 . 0 0 "[ . 1 . 2]" 1
756 1 55 ILE H 1 56 CYS H . . 4.500 4.434 4.398 4.459 . 0 0 "[ . 1 . 2]" 1
757 1 60 SER H 1 61 ASP HB2 . . 4.570 4.355 4.191 4.488 . 0 0 "[ . 1 . 2]" 1
758 1 79 ASN H 1 82 LEU MD1 . . 5.500 4.275 4.099 4.398 . 0 0 "[ . 1 . 2]" 1
759 1 67 CYS H 1 69 LYS H . . 4.450 4.229 4.156 4.488 0.038 13 0 "[ . 1 . 2]" 1
760 1 71 GLN H 1 72 GLU H . . 4.770 4.617 4.576 4.646 . 0 0 "[ . 1 . 2]" 1
761 1 74 SER HA 1 76 GLU H . . 5.340 4.289 4.074 4.513 . 0 0 "[ . 1 . 2]" 1
762 1 87 ASP H 1 87 ASP HA . . 2.940 2.770 2.274 2.915 . 0 0 "[ . 1 . 2]" 1
763 1 95 ASP HA 1 97 ALA H . . 4.890 3.428 3.169 3.862 . 0 0 "[ . 1 . 2]" 1
764 1 92 TYR QD 1 93 ASP H . . 3.650 3.074 2.448 3.651 0.001 14 0 "[ . 1 . 2]" 1
765 1 30 ARG HE 1 32 ASP H . . 4.660 4.110 3.810 4.298 . 0 0 "[ . 1 . 2]" 1
766 1 32 ASP H 1 54 TRP HZ3 . . 5.500 5.074 4.793 5.510 0.010 16 0 "[ . 1 . 2]" 1
767 1 50 GLU H 1 50 GLU HB2 . . 3.820 3.648 3.325 3.718 . 0 0 "[ . 1 . 2]" 1
768 1 38 ARG HE 1 59 ASN HD22 . . 4.840 3.539 2.601 4.283 . 0 0 "[ . 1 . 2]" 1
769 1 33 ASP H 1 35 PHE QE . . 5.160 4.968 4.401 5.163 0.003 15 0 "[ . 1 . 2]" 1
770 1 40 ILE MD 1 60 SER H . . 5.500 4.986 4.515 5.514 0.014 18 0 "[ . 1 . 2]" 1
771 1 60 SER HB2 1 61 ASP H . . 4.960 3.830 3.201 4.322 . 0 0 "[ . 1 . 2]" 1
772 1 60 SER HB3 1 61 ASP H . . 4.960 3.255 2.882 4.325 . 0 0 "[ . 1 . 2]" 1
773 1 48 ILE H 1 49 ASP QB . . 5.500 4.421 4.125 4.895 . 0 0 "[ . 1 . 2]" 1
774 1 31 CYS H 1 37 TRP HE3 . . 5.500 5.408 5.301 5.511 0.011 18 0 "[ . 1 . 2]" 1
775 1 56 CYS H 1 66 ASP H . . 5.500 5.456 5.374 5.529 0.029 12 0 "[ . 1 . 2]" 1
776 1 22 TYR HB2 1 23 SER H . . 3.750 3.199 2.147 3.751 0.001 19 0 "[ . 1 . 2]" 1
777 1 22 TYR HB3 1 23 SER H . . 3.750 2.535 1.949 3.602 . 0 0 "[ . 1 . 2]" 1
778 1 26 SER QB 1 39 ARG HE . . 3.350 2.957 2.430 3.353 0.003 15 0 "[ . 1 . 2]" 1
779 1 59 ASN HD21 1 61 ASP HB3 . . 3.450 3.121 2.675 3.403 . 0 0 "[ . 1 . 2]" 1
780 1 51 SER HB2 1 52 SER H . . 4.550 3.511 1.968 4.271 . 0 0 "[ . 1 . 2]" 1
781 1 58 ASN HB2 1 59 ASN H . . 3.500 3.499 3.476 3.516 0.016 7 0 "[ . 1 . 2]" 1
782 1 80 GLU H 1 80 GLU HG3 . . 3.580 3.006 2.683 3.323 . 0 0 "[ . 1 . 2]" 1
783 1 40 ILE HA 1 41 PRO HD3 . . 3.510 2.294 2.291 2.296 . 0 0 "[ . 1 . 2]" 1
784 1 40 ILE HA 1 41 PRO HD2 . . 3.430 2.377 2.370 2.382 . 0 0 "[ . 1 . 2]" 1
785 1 40 ILE HG13 1 41 PRO HD2 . . 4.600 3.569 3.549 3.589 . 0 0 "[ . 1 . 2]" 1
786 1 66 ASP HB2 1 69 LYS QG . . 3.360 2.276 1.969 3.366 0.006 18 0 "[ . 1 . 2]" 1
787 1 62 LYS QD 1 63 ARG QD . . 5.500 3.801 2.033 4.591 . 0 0 "[ . 1 . 2]" 1
788 1 3 ARG HB3 1 3 ARG QD . . 3.420 2.579 1.986 3.346 . 0 0 "[ . 1 . 2]" 1
789 1 53 ARG QB 1 53 ARG HD2 . . 3.520 2.185 1.973 2.687 . 0 0 "[ . 1 . 2]" 1
790 1 62 LYS QE 1 62 LYS QG . . 2.750 2.171 1.953 2.292 . 0 0 "[ . 1 . 2]" 1
791 1 39 ARG HB3 1 39 ARG QD . . 3.200 2.194 2.045 3.044 . 0 0 "[ . 1 . 2]" 1
792 1 39 ARG HB2 1 39 ARG QD . . 3.200 2.734 2.051 2.825 . 0 0 "[ . 1 . 2]" 1
793 1 30 ARG HB2 1 30 ARG QD . . 3.410 2.921 2.863 3.045 . 0 0 "[ . 1 . 2]" 1
794 1 30 ARG HB3 1 30 ARG QD . . 3.410 2.408 2.387 2.434 . 0 0 "[ . 1 . 2]" 1
795 1 82 LEU HB2 1 82 LEU MD2 . . 3.290 2.909 2.789 3.071 . 0 0 "[ . 1 . 2]" 1
796 1 82 LEU HB3 1 82 LEU MD1 . . 3.100 2.914 2.743 3.028 . 0 0 "[ . 1 . 2]" 1
797 1 82 LEU HB2 1 82 LEU MD1 . . 3.180 1.955 1.893 2.135 . 0 0 "[ . 1 . 2]" 1
798 1 82 LEU H 1 82 LEU HB3 . . 3.720 3.618 3.605 3.640 . 0 0 "[ . 1 . 2]" 1
799 1 30 ARG QD 1 35 PHE QE . . 4.200 4.058 3.356 4.201 0.001 18 0 "[ . 1 . 2]" 1
800 1 32 ASP HB3 1 55 ILE MG . . 3.220 2.963 2.708 3.111 . 0 0 "[ . 1 . 2]" 1
801 1 33 ASP HB2 1 55 ILE MG . . 3.560 2.451 2.044 2.706 . 0 0 "[ . 1 . 2]" 1
802 1 40 ILE HB 1 41 PRO HD3 . . 3.440 3.367 3.359 3.378 . 0 0 "[ . 1 . 2]" 1
803 1 40 ILE HB 1 41 PRO HD2 . . 3.110 1.927 1.917 1.939 . 0 0 "[ . 1 . 2]" 1
804 1 40 ILE HB 1 40 ILE MD . . 3.120 2.449 2.404 2.485 . 0 0 "[ . 1 . 2]" 1
805 1 48 ILE HA 1 48 ILE HB . . 2.820 2.474 2.458 2.513 . 0 0 "[ . 1 . 2]" 1
806 1 59 ASN HB3 1 65 ALA MB . . 3.210 2.070 1.984 2.142 . 0 0 "[ . 1 . 2]" 1
807 1 48 ILE HB 1 48 ILE MD . . 3.170 2.144 2.017 2.237 . 0 0 "[ . 1 . 2]" 1
808 1 18 ILE HB 1 19 GLU QG . . 5.150 4.794 3.352 5.161 0.011 1 0 "[ . 1 . 2]" 1
809 1 58 ASN HA 1 58 ASN HB3 . . 2.960 2.704 2.692 2.716 . 0 0 "[ . 1 . 2]" 1
810 1 59 ASN HB3 1 65 ALA HA . . 3.320 2.146 1.989 2.244 . 0 0 "[ . 1 . 2]" 1
811 1 19 GLU HB2 1 19 GLU QG . . 2.650 2.376 2.138 2.528 . 0 0 "[ . 1 . 2]" 1
812 1 19 GLU HB3 1 19 GLU QG . . 2.650 2.311 2.153 2.527 . 0 0 "[ . 1 . 2]" 1
813 1 29 VAL HB 1 40 ILE MD . . 4.250 3.150 2.308 3.811 . 0 0 "[ . 1 . 2]" 1
814 1 29 VAL HB 1 40 ILE MG . . 4.590 3.876 3.351 4.216 . 0 0 "[ . 1 . 2]" 1
815 1 29 VAL HB 1 48 ILE MD . . 4.890 3.621 3.340 4.020 . 0 0 "[ . 1 . 2]" 1
816 1 55 ILE QG 1 57 MET QG . . 3.350 2.029 1.999 2.075 . 0 0 "[ . 1 . 2]" 1
817 1 55 ILE MD 1 57 MET QG . . 3.520 1.927 1.906 1.936 . 0 0 "[ . 1 . 2]" 1
818 1 73 MET HA 1 73 MET HG3 . . 3.900 3.128 2.352 3.380 . 0 0 "[ . 1 . 2]" 1
819 1 12 MET HA 1 12 MET QG . . 3.300 3.152 2.072 3.331 0.031 12 0 "[ . 1 . 2]" 1
820 1 73 MET HA 1 73 MET HG2 . . 3.900 2.348 2.142 2.822 . 0 0 "[ . 1 . 2]" 1
821 1 82 LEU HB3 1 82 LEU MD2 . . 3.170 1.964 1.946 2.003 . 0 0 "[ . 1 . 2]" 1
822 1 98 LYS QD 1 98 LYS HG2 . . 2.620 2.346 2.149 2.538 . 0 0 "[ . 1 . 2]" 1
823 1 82 LEU MD2 1 84 ILE HG12 . . 5.380 4.694 4.547 4.908 . 0 0 "[ . 1 . 2]" 1
824 1 27 ALA MB 1 45 VAL MG2 . . 3.130 1.807 1.765 1.926 . 0 0 "[ . 1 . 2]" 1
825 1 78 ILE MG 1 82 LEU MD1 . . 4.230 1.751 1.739 1.770 . 0 0 "[ . 1 . 2]" 1
826 1 29 VAL MG2 1 40 ILE MD . . 3.790 2.587 2.023 3.282 . 0 0 "[ . 1 . 2]" 1
827 1 29 VAL MG2 1 48 ILE MD . . 4.430 3.130 2.260 3.913 . 0 0 "[ . 1 . 2]" 1
828 1 29 VAL MG2 1 45 VAL MG2 . . 4.400 4.354 4.153 4.439 0.039 19 0 "[ . 1 . 2]" 1
829 1 29 VAL MG1 1 45 VAL MG2 . . 4.400 3.468 2.685 4.415 0.015 3 0 "[ . 1 . 2]" 1
830 1 29 VAL MG1 1 30 ARG H . . 4.180 3.692 3.621 3.778 . 0 0 "[ . 1 . 2]" 1
831 1 29 VAL MG2 1 54 TRP HD1 . . 5.480 4.066 3.322 4.830 . 0 0 "[ . 1 . 2]" 1
832 1 29 VAL MG2 1 54 TRP HE3 . . 5.500 3.287 2.300 4.016 . 0 0 "[ . 1 . 2]" 1
833 1 29 VAL MG1 1 54 TRP HD1 . . 5.480 4.086 3.648 4.886 . 0 0 "[ . 1 . 2]" 1
834 1 29 VAL MG1 1 54 TRP HE3 . . 5.500 4.250 3.060 5.014 . 0 0 "[ . 1 . 2]" 1
835 1 40 ILE MG 1 54 TRP HZ2 . . 3.810 3.174 2.645 3.444 . 0 0 "[ . 1 . 2]" 1
836 1 40 ILE HA 1 40 ILE MG . . 3.480 2.438 2.387 2.448 . 0 0 "[ . 1 . 2]" 1
837 1 40 ILE MG 1 41 PRO HD3 . . 4.190 4.080 4.058 4.131 . 0 0 "[ . 1 . 2]" 1
838 1 40 ILE MG 1 41 PRO HD2 . . 4.120 3.361 3.339 3.391 . 0 0 "[ . 1 . 2]" 1
839 1 38 ARG QG 1 40 ILE MG . . 4.200 3.448 2.100 4.247 0.047 10 0 "[ . 1 . 2]" 1
840 1 40 ILE MG 1 44 VAL HB . . 5.450 5.459 5.415 5.477 0.027 20 0 "[ . 1 . 2]" 1
841 1 40 ILE HG12 1 40 ILE MG . . 3.750 2.428 2.369 2.445 . 0 0 "[ . 1 . 2]" 1
842 1 40 ILE MD 1 40 ILE MG . . 2.920 1.980 1.927 2.050 . 0 0 "[ . 1 . 2]" 1
843 1 29 VAL MG2 1 40 ILE MG . . 4.000 2.642 1.774 4.004 0.004 10 0 "[ . 1 . 2]" 1
844 1 29 VAL MG1 1 40 ILE MG . . 4.000 2.590 1.842 3.171 . 0 0 "[ . 1 . 2]" 1
845 1 78 ILE MG 1 82 LEU MD2 . . 3.890 3.554 3.442 3.652 . 0 0 "[ . 1 . 2]" 1
846 1 29 VAL MG1 1 40 ILE MD . . 3.790 2.025 1.818 2.426 . 0 0 "[ . 1 . 2]" 1
847 1 40 ILE MD 1 45 VAL MG2 . . 3.530 2.015 1.965 2.086 . 0 0 "[ . 1 . 2]" 1
848 1 78 ILE MD 1 78 ILE MG . . 3.600 2.195 1.982 2.497 . 0 0 "[ . 1 . 2]" 1
849 1 45 VAL MG2 1 48 ILE MD . . 3.310 3.221 2.888 3.321 0.011 10 0 "[ . 1 . 2]" 1
850 1 48 ILE MD 1 48 ILE MG . . 3.610 3.022 2.841 3.139 . 0 0 "[ . 1 . 2]" 1
851 1 37 TRP HB2 1 78 ILE MD . . 3.930 2.003 1.872 2.174 . 0 0 "[ . 1 . 2]" 1
852 1 71 GLN QG 1 78 ILE MD . . 3.530 3.235 3.151 3.297 . 0 0 "[ . 1 . 2]" 1
853 1 37 TRP HB3 1 78 ILE MD . . 4.010 2.227 2.062 2.651 . 0 0 "[ . 1 . 2]" 1
854 1 75 ASN HA 1 78 ILE MD . . 3.810 2.568 2.384 2.735 . 0 0 "[ . 1 . 2]" 1
855 1 55 ILE MD 1 57 MET QB . . 3.730 3.686 3.679 3.693 . 0 0 "[ . 1 . 2]" 1
856 1 55 ILE HB 1 55 ILE MD . . 3.180 2.403 2.394 2.410 . 0 0 "[ . 1 . 2]" 1
857 1 40 ILE MD 1 44 VAL HB . . 4.840 4.718 4.647 4.794 . 0 0 "[ . 1 . 2]" 1
858 1 40 ILE MD 1 45 VAL HA . . 3.810 2.023 1.948 2.203 . 0 0 "[ . 1 . 2]" 1
859 1 37 TRP HD1 1 78 ILE MD . . 3.250 2.003 1.963 2.233 . 0 0 "[ . 1 . 2]" 1
860 1 55 ILE H 1 55 ILE MD . . 4.020 3.850 3.763 3.991 . 0 0 "[ . 1 . 2]" 1
861 1 55 ILE MD 1 57 MET H . . 3.940 3.790 3.694 3.842 . 0 0 "[ . 1 . 2]" 1
862 1 82 LEU MD2 1 84 ILE MD . . 4.320 3.841 3.588 4.160 . 0 0 "[ . 1 . 2]" 1
863 1 82 LEU MD1 1 84 ILE MD . . 4.250 2.488 2.141 2.788 . 0 0 "[ . 1 . 2]" 1
864 1 84 ILE HB 1 84 ILE MD . . 3.010 2.424 2.352 2.454 . 0 0 "[ . 1 . 2]" 1
865 1 18 ILE HB 1 18 ILE MD . . 3.380 3.038 2.174 3.230 . 0 0 "[ . 1 . 2]" 1
866 1 26 SER QB 1 27 ALA HA . . 4.420 4.222 4.087 4.419 . 0 0 "[ . 1 . 2]" 1
867 1 26 SER QB 1 41 PRO HA . . 4.160 3.289 2.730 3.797 . 0 0 "[ . 1 . 2]" 1
868 1 26 SER QB 1 39 ARG HA . . 4.710 4.494 4.304 4.722 0.012 19 0 "[ . 1 . 2]" 1
869 1 40 ILE HG13 1 45 VAL HA . . 4.920 3.469 3.360 3.699 . 0 0 "[ . 1 . 2]" 1
870 1 45 VAL HA 1 45 VAL MG2 . . 3.290 2.130 2.067 2.172 . 0 0 "[ . 1 . 2]" 1
871 1 26 SER QB 1 39 ARG HG2 . . 3.790 2.599 2.373 3.215 . 0 0 "[ . 1 . 2]" 1
872 1 26 SER QB 1 40 ILE HG12 . . 5.500 5.180 5.043 5.320 . 0 0 "[ . 1 . 2]" 1
873 1 26 SER QB 1 27 ALA MB . . 4.850 4.524 4.397 4.675 . 0 0 "[ . 1 . 2]" 1
874 1 78 ILE HA 1 81 GLU QB . . 4.180 2.278 2.102 2.372 . 0 0 "[ . 1 . 2]" 1
875 1 6 SER QB 1 7 VAL QG . . 4.120 3.811 2.462 4.093 . 0 0 "[ . 1 . 2]" 1
876 1 78 ILE HA 1 78 ILE MG . . 3.560 2.307 2.269 2.384 . 0 0 "[ . 1 . 2]" 1
877 1 81 GLU HA 1 81 GLU QG . . 3.280 2.896 2.380 3.154 . 0 0 "[ . 1 . 2]" 1
878 1 62 LYS HA 1 62 LYS QG . . 3.360 3.042 2.530 3.406 0.046 12 0 "[ . 1 . 2]" 1
879 1 72 GLU HA 1 72 GLU HG2 . . 3.690 2.635 2.271 3.682 . 0 0 "[ . 1 . 2]" 1
880 1 82 LEU HA 1 82 LEU HG . . 4.200 2.645 2.555 2.819 . 0 0 "[ . 1 . 2]" 1
881 1 82 LEU HA 1 82 LEU MD1 . . 3.900 3.794 3.716 3.936 0.036 17 0 "[ . 1 . 2]" 1
882 1 28 TRP HA 1 39 ARG HA . . 3.980 2.780 2.585 2.851 . 0 0 "[ . 1 . 2]" 1
883 1 42 ALA HA 1 45 VAL MG1 . . 3.550 1.921 1.906 1.949 . 0 0 "[ . 1 . 2]" 1
884 1 39 ARG QD 1 40 ILE MG . . 5.500 5.490 5.394 5.600 0.100 10 0 "[ . 1 . 2]" 1
885 1 28 TRP HB3 1 28 TRP HE3 . . 3.740 2.855 2.781 2.953 . 0 0 "[ . 1 . 2]" 1
886 1 28 TRP HB3 1 37 TRP HE3 . . 4.140 2.968 2.699 3.180 . 0 0 "[ . 1 . 2]" 1
887 1 37 TRP HB2 1 37 TRP HD1 . . 3.370 2.570 2.566 2.573 . 0 0 "[ . 1 . 2]" 1
888 1 71 GLN QG 1 73 MET HA . . 4.970 4.135 3.673 4.292 . 0 0 "[ . 1 . 2]" 1
889 1 18 ILE MG 1 19 GLU QG . . 4.110 3.567 2.023 4.051 . 0 0 "[ . 1 . 2]" 1
890 1 76 GLU HA 1 79 ASN QB . . 3.000 2.678 2.466 2.843 . 0 0 "[ . 1 . 2]" 1
891 1 77 GLU HA 1 77 GLU QG . . 2.840 2.423 2.223 2.781 . 0 0 "[ . 1 . 2]" 1
892 1 76 GLU H 1 76 GLU HG2 . . 3.630 2.052 1.915 3.087 . 0 0 "[ . 1 . 2]" 1
893 1 76 GLU HG2 1 77 GLU H . . 4.040 2.282 1.935 3.544 . 0 0 "[ . 1 . 2]" 1
894 1 77 GLU H 1 77 GLU QG . . 4.120 2.833 2.108 4.061 . 0 0 "[ . 1 . 2]" 1
895 1 77 GLU QG 1 78 ILE H . . 4.140 4.006 3.728 4.192 0.052 10 0 "[ . 1 . 2]" 1
896 1 62 LYS QE 1 63 ARG QD . . 3.350 2.973 1.911 3.353 0.003 12 0 "[ . 1 . 2]" 1
897 1 30 ARG QD 1 35 PHE HA . . 3.780 2.601 2.243 2.794 . 0 0 "[ . 1 . 2]" 1
898 1 30 ARG QD 1 35 PHE QB . . 3.970 2.865 2.121 3.528 . 0 0 "[ . 1 . 2]" 1
899 1 26 SER QB 1 39 ARG QD . . 3.980 2.875 2.474 3.708 . 0 0 "[ . 1 . 2]" 1
900 1 66 ASP HB3 1 69 LYS QG . . 4.560 2.687 2.317 3.945 . 0 0 "[ . 1 . 2]" 1
901 1 66 ASP H 1 66 ASP HB3 . . 3.870 3.822 3.819 3.825 . 0 0 "[ . 1 . 2]" 1
902 1 66 ASP HB2 1 68 SER H . . 4.020 3.991 3.669 4.030 0.010 7 0 "[ . 1 . 2]" 1
903 1 82 LEU HB2 1 84 ILE HB . . 5.250 4.999 4.951 5.045 . 0 0 "[ . 1 . 2]" 1
904 1 78 ILE HB 1 78 ILE MD . . 3.270 2.251 2.136 2.360 . 0 0 "[ . 1 . 2]" 1
905 1 75 ASN HA 1 78 ILE HB . . 3.290 2.854 2.675 2.964 . 0 0 "[ . 1 . 2]" 1
906 1 48 ILE H 1 48 ILE HB . . 3.620 3.617 3.604 3.627 0.007 13 0 "[ . 1 . 2]" 1
907 1 77 GLU QG 1 78 ILE MD . . 5.500 5.428 4.922 5.530 0.030 10 0 "[ . 1 . 2]" 1
908 1 67 CYS H 1 67 CYS HB2 . . 3.020 2.170 2.128 2.206 . 0 0 "[ . 1 . 2]" 1
909 1 64 PHE QD 1 72 GLU QB . . 4.960 4.095 3.622 4.517 . 0 0 "[ . 1 . 2]" 1
910 1 64 PHE QE 1 72 GLU QB . . 5.340 3.983 3.464 4.544 . 0 0 "[ . 1 . 2]" 1
911 1 78 ILE HA 1 82 LEU HG . . 4.620 4.566 4.092 4.700 0.080 13 0 "[ . 1 . 2]" 1
912 1 30 ARG HG2 1 35 PHE HA . . 3.520 2.550 2.205 2.655 . 0 0 "[ . 1 . 2]" 1
913 1 30 ARG HA 1 30 ARG HG3 . . 3.890 3.065 3.005 3.198 . 0 0 "[ . 1 . 2]" 1
914 1 30 ARG HG2 1 31 CYS HB3 . . 4.580 3.844 3.744 3.933 . 0 0 "[ . 1 . 2]" 1
915 1 30 ARG HG2 1 35 PHE QB . . 4.860 4.045 3.670 4.347 . 0 0 "[ . 1 . 2]" 1
916 1 28 TRP HB3 1 82 LEU MD2 . . 4.870 3.169 2.991 3.447 . 0 0 "[ . 1 . 2]" 1
917 1 82 LEU HA 1 82 LEU MD2 . . 3.420 3.128 2.766 3.357 . 0 0 "[ . 1 . 2]" 1
918 1 79 ASN HA 1 82 LEU MD1 . . 4.110 3.242 3.032 3.404 . 0 0 "[ . 1 . 2]" 1
919 1 82 LEU MD1 1 84 ILE MG . . 3.220 3.201 3.060 3.238 0.018 15 0 "[ . 1 . 2]" 1
920 1 82 LEU MD2 1 84 ILE MG . . 3.760 3.453 3.291 3.774 0.014 4 0 "[ . 1 . 2]" 1
921 1 24 THR HA 1 24 THR MG . . 2.760 2.191 2.000 2.419 . 0 0 "[ . 1 . 2]" 1
922 1 7 VAL HA 1 7 VAL QG . . 2.640 2.210 2.057 2.373 . 0 0 "[ . 1 . 2]" 1
923 1 13 VAL HA 1 13 VAL QG . . 2.850 2.220 2.096 2.329 . 0 0 "[ . 1 . 2]" 1
924 1 27 ALA MB 1 29 VAL MG2 . . 5.500 4.766 4.299 5.295 . 0 0 "[ . 1 . 2]" 1
925 1 27 ALA MB 1 29 VAL MG1 . . 5.500 3.824 3.093 4.806 . 0 0 "[ . 1 . 2]" 1
926 1 29 VAL MG1 1 40 ILE HG12 . . 5.300 2.923 2.721 3.286 . 0 0 "[ . 1 . 2]" 1
927 1 29 VAL MG2 1 40 ILE HG12 . . 5.300 3.690 2.700 5.091 . 0 0 "[ . 1 . 2]" 1
928 1 40 ILE MD 1 48 ILE MD . . 3.640 2.554 1.934 3.101 . 0 0 "[ . 1 . 2]" 1
929 1 29 VAL MG1 1 48 ILE MD . . 4.430 2.683 1.932 4.021 . 0 0 "[ . 1 . 2]" 1
930 1 82 LEU HB2 1 84 ILE MD . . 4.820 3.266 3.024 3.540 . 0 0 "[ . 1 . 2]" 1
931 1 45 VAL HA 1 48 ILE MD . . 3.720 3.115 2.522 3.345 . 0 0 "[ . 1 . 2]" 1
932 1 18 ILE HA 1 18 ILE MD . . 3.480 2.416 2.025 3.745 0.265 16 0 "[ . 1 . 2]" 1
933 1 79 ASN HA 1 84 ILE MD . . 3.270 3.109 2.902 3.280 0.010 17 0 "[ . 1 . 2]" 1
934 1 48 ILE HA 1 48 ILE MD . . 3.910 3.755 3.615 3.948 0.038 7 0 "[ . 1 . 2]" 1
935 1 48 ILE MD 1 49 ASP HA . . 4.040 3.055 2.689 4.021 . 0 0 "[ . 1 . 2]" 1
936 1 40 ILE HA 1 40 ILE MD . . 4.340 4.177 4.164 4.181 . 0 0 "[ . 1 . 2]" 1
937 1 84 ILE H 1 84 ILE MD . . 3.900 3.727 3.689 3.766 . 0 0 "[ . 1 . 2]" 1
938 1 48 ILE MD 1 54 TRP HD1 . . 4.030 2.026 1.924 2.412 . 0 0 "[ . 1 . 2]" 1
939 1 78 ILE MG 1 82 LEU HG . . 4.370 3.519 2.966 3.713 . 0 0 "[ . 1 . 2]" 1
940 1 18 ILE HG13 1 18 ILE MG . . 3.610 2.379 2.235 3.180 . 0 0 "[ . 1 . 2]" 1
941 1 18 ILE HG12 1 18 ILE MG . . 3.610 2.993 2.054 3.203 . 0 0 "[ . 1 . 2]" 1
942 1 84 ILE HG13 1 84 ILE MG . . 3.610 3.188 3.182 3.202 . 0 0 "[ . 1 . 2]" 1
943 1 48 ILE HG12 1 48 ILE MG . . 3.280 1.994 1.937 2.107 . 0 0 "[ . 1 . 2]" 1
944 1 18 ILE HA 1 18 ILE MG . . 3.170 2.185 2.141 2.283 . 0 0 "[ . 1 . 2]" 1
945 1 48 ILE HA 1 48 ILE MG . . 3.550 2.346 2.216 2.389 . 0 0 "[ . 1 . 2]" 1
946 1 84 ILE HA 1 84 ILE MG . . 3.490 2.302 2.231 2.372 . 0 0 "[ . 1 . 2]" 1
947 1 82 LEU HB2 1 84 ILE MG . . 3.220 2.516 2.264 2.627 . 0 0 "[ . 1 . 2]" 1
948 1 55 ILE MG 1 57 MET ME . . 3.960 3.060 2.978 3.301 . 0 0 "[ . 1 . 2]" 1
949 1 55 ILE MD 1 57 MET ME . . 4.170 2.710 2.631 2.792 . 0 0 "[ . 1 . 2]" 1
950 1 42 ALA MB 1 45 VAL HB . . 5.000 4.204 4.133 4.335 . 0 0 "[ . 1 . 2]" 1
951 1 25 GLU HB3 1 42 ALA MB . . 4.100 3.223 2.291 4.153 0.053 3 0 "[ . 1 . 2]" 1
952 1 32 ASP HB2 1 55 ILE MG . . 3.700 3.494 3.099 3.694 . 0 0 "[ . 1 . 2]" 1
953 1 55 ILE HA 1 55 ILE MG . . 3.350 2.167 2.067 2.212 . 0 0 "[ . 1 . 2]" 1
954 1 95 ASP HA 1 97 ALA MB . . 4.280 3.939 3.532 4.266 . 0 0 "[ . 1 . 2]" 1
955 1 95 ASP HA 1 96 ALA MB . . 5.500 4.634 4.354 5.020 . 0 0 "[ . 1 . 2]" 1
956 1 26 SER HA 1 42 ALA MB . . 4.200 3.487 3.311 3.690 . 0 0 "[ . 1 . 2]" 1
957 1 55 ILE H 1 55 ILE MG . . 4.050 3.303 3.207 3.409 . 0 0 "[ . 1 . 2]" 1
958 1 62 LYS HA 1 65 ALA MB . . 3.150 2.585 2.386 2.806 . 0 0 "[ . 1 . 2]" 1
959 1 57 MET HA 1 65 ALA MB . . 3.080 2.964 2.695 3.067 . 0 0 "[ . 1 . 2]" 1
960 1 29 VAL H 1 29 VAL MG2 . . 3.910 2.878 2.091 3.923 0.013 10 0 "[ . 1 . 2]" 1
961 1 42 ALA HA 1 45 VAL MG2 . . 4.730 3.763 3.686 3.902 . 0 0 "[ . 1 . 2]" 1
962 1 21 SER HA 1 27 ALA MB . . 5.500 4.311 2.154 5.500 0.000 14 0 "[ . 1 . 2]" 1
963 1 45 VAL H 1 45 VAL MG2 . . 3.730 3.652 3.640 3.660 . 0 0 "[ . 1 . 2]" 1
964 1 28 TRP HD1 1 82 LEU MD1 . . 3.720 3.205 3.002 3.527 . 0 0 "[ . 1 . 2]" 1
965 1 28 TRP HD1 1 82 LEU MD2 . . 4.330 1.966 1.900 2.103 . 0 0 "[ . 1 . 2]" 1
966 1 27 ALA MB 1 40 ILE HG13 . . 3.860 3.411 3.244 3.540 . 0 0 "[ . 1 . 2]" 1
967 1 48 ILE HG13 1 48 ILE MG . . 3.280 2.826 2.711 2.969 . 0 0 "[ . 1 . 2]" 1
968 1 79 ASN HA 1 84 ILE HG12 . . 3.320 2.373 2.251 2.524 . 0 0 "[ . 1 . 2]" 1
969 1 18 ILE H 1 18 ILE HG13 . . 4.080 3.607 2.318 4.090 0.010 11 0 "[ . 1 . 2]" 1
970 1 62 LYS HA 1 62 LYS QD . . 3.880 3.737 3.600 3.881 0.001 18 0 "[ . 1 . 2]" 1
971 1 98 LYS QD 1 98 LYS HG3 . . 2.620 2.318 2.146 2.535 . 0 0 "[ . 1 . 2]" 1
972 1 25 GLU H 1 25 GLU HB3 . . 4.020 3.378 2.319 3.901 . 0 0 "[ . 1 . 2]" 1
973 1 98 LYS HA 1 98 LYS QD . . 3.750 2.818 1.980 3.747 . 0 0 "[ . 1 . 2]" 1
974 1 56 CYS HB2 1 66 ASP HA . . 4.200 2.852 2.732 3.020 . 0 0 "[ . 1 . 2]" 1
975 1 56 CYS HB2 1 65 ALA HA . . 5.020 4.695 4.540 4.840 . 0 0 "[ . 1 . 2]" 1
976 1 25 GLU HB2 1 42 ALA MB . . 4.100 3.847 1.930 4.219 0.119 19 0 "[ . 1 . 2]" 1
977 1 44 VAL H 1 44 VAL HB . . 2.890 2.669 2.647 2.708 . 0 0 "[ . 1 . 2]" 1
978 1 55 ILE QG 1 57 MET QB . . 4.790 4.099 4.066 4.144 . 0 0 "[ . 1 . 2]" 1
979 1 30 ARG HA 1 38 ARG QB . . 4.310 4.097 3.891 4.311 0.001 7 0 "[ . 1 . 2]" 1
980 1 78 ILE MD 1 86 GLN QG . . 5.190 5.183 5.105 5.227 0.037 14 0 "[ . 1 . 2]" 1
981 1 86 GLN HA 1 86 GLN QG . . 3.030 2.243 2.184 2.652 . 0 0 "[ . 1 . 2]" 1
982 1 29 VAL HB 1 30 ARG H . . 4.010 3.416 2.827 4.048 0.038 13 0 "[ . 1 . 2]" 1
983 1 82 LEU HB3 1 84 ILE H . . 5.500 4.296 4.019 4.617 . 0 0 "[ . 1 . 2]" 1
984 1 53 ARG QB 1 53 ARG HD3 . . 3.520 2.978 2.175 3.303 . 0 0 "[ . 1 . 2]" 1
985 1 54 TRP HH2 1 56 CYS HA . . 3.590 2.503 2.239 2.802 . 0 0 "[ . 1 . 2]" 1
986 1 19 GLU HA 1 19 GLU QG . . 3.780 3.089 2.171 3.330 . 0 0 "[ . 1 . 2]" 1
987 1 45 VAL HA 1 48 ILE HB . . 5.340 5.297 5.089 5.362 0.022 18 0 "[ . 1 . 2]" 1
988 1 28 TRP HH2 1 78 ILE MD . . 3.560 3.540 3.283 3.580 0.020 12 0 "[ . 1 . 2]" 1
989 1 40 ILE MD 1 54 TRP HD1 . . 4.730 4.125 3.609 4.712 . 0 0 "[ . 1 . 2]" 1
990 1 76 GLU H 1 76 GLU HB3 . . 3.620 2.644 2.625 2.663 . 0 0 "[ . 1 . 2]" 1
991 1 26 SER QB 1 39 ARG HG3 . . 3.790 3.627 2.672 3.792 0.002 4 0 "[ . 1 . 2]" 1
992 1 39 ARG HA 1 39 ARG HG3 . . 4.230 2.888 2.380 2.975 . 0 0 "[ . 1 . 2]" 1
993 1 39 ARG HA 1 39 ARG HG2 . . 4.230 2.444 2.278 3.642 . 0 0 "[ . 1 . 2]" 1
994 1 54 TRP HA 1 55 ILE MG . . 4.260 3.943 3.901 4.053 . 0 0 "[ . 1 . 2]" 1
995 1 32 ASP HA 1 55 ILE MG . . 4.380 4.304 4.007 4.384 0.004 2 0 "[ . 1 . 2]" 1
996 1 40 ILE MG 1 59 ASN HA . . 4.030 3.770 3.501 4.037 0.007 18 0 "[ . 1 . 2]" 1
997 1 77 GLU HA 1 80 GLU QB . . 4.170 3.811 3.541 3.949 . 0 0 "[ . 1 . 2]" 1
998 1 79 ASN HA 1 84 ILE HG13 . . 3.190 2.758 2.638 2.911 . 0 0 "[ . 1 . 2]" 1
999 1 27 ALA MB 1 42 ALA HA . . 3.600 3.554 3.398 3.637 0.037 9 0 "[ . 1 . 2]" 1
1000 1 27 ALA MB 1 45 VAL HB . . 3.110 2.771 2.594 2.909 . 0 0 "[ . 1 . 2]" 1
1001 1 64 PHE HA 1 69 LYS QG . . 3.370 2.313 1.992 2.668 . 0 0 "[ . 1 . 2]" 1
1002 1 13 VAL HB 1 14 VAL H . . 2.760 2.201 1.953 2.734 . 0 0 "[ . 1 . 2]" 1
1003 1 71 GLN H 1 71 GLN HB3 . . 3.250 2.620 2.349 2.728 . 0 0 "[ . 1 . 2]" 1
1004 1 3 ARG HB2 1 3 ARG QD . . 3.420 2.531 2.020 3.311 . 0 0 "[ . 1 . 2]" 1
1005 1 30 ARG HA 1 31 CYS HB3 . . 5.230 4.714 4.633 4.785 . 0 0 "[ . 1 . 2]" 1
1006 1 31 CYS HB3 1 36 LYS HA . . 5.500 4.872 4.660 5.000 . 0 0 "[ . 1 . 2]" 1
1007 1 56 CYS HB3 1 66 ASP HA . . 5.150 3.355 3.195 3.616 . 0 0 "[ . 1 . 2]" 1
1008 1 56 CYS H 1 56 CYS HB3 . . 3.760 3.587 3.584 3.592 . 0 0 "[ . 1 . 2]" 1
1009 1 86 GLN H 1 86 GLN HB3 . . 3.680 3.466 3.341 3.977 0.297 15 0 "[ . 1 . 2]" 1
1010 1 50 GLU H 1 50 GLU HB3 . . 3.820 2.754 2.272 3.023 . 0 0 "[ . 1 . 2]" 1
1011 1 54 TRP HZ3 1 56 CYS HA . . 3.940 3.541 3.012 3.942 0.002 5 0 "[ . 1 . 2]" 1
1012 1 64 PHE QD 1 72 GLU HA . . 4.350 3.654 3.342 4.028 . 0 0 "[ . 1 . 2]" 1
1013 1 66 ASP HB2 1 67 CYS H . . 4.260 4.261 4.166 4.283 0.023 12 0 "[ . 1 . 2]" 1
1014 1 59 ASN HB2 1 65 ALA HA . . 4.680 2.832 2.688 3.036 . 0 0 "[ . 1 . 2]" 1
1015 1 54 TRP HZ2 1 59 ASN HB2 . . 3.930 2.169 1.999 2.623 . 0 0 "[ . 1 . 2]" 1
1016 1 28 TRP HH2 1 73 MET ME . . 3.650 2.372 1.978 3.113 . 0 0 "[ . 1 . 2]" 1
1017 1 28 TRP HZ2 1 73 MET ME . . 3.510 1.936 1.887 2.069 . 0 0 "[ . 1 . 2]" 1
1018 1 73 MET ME 1 78 ILE H . . 5.470 3.220 2.935 3.487 . 0 0 "[ . 1 . 2]" 1
1019 1 73 MET ME 1 80 GLU H . . 5.500 5.519 5.502 5.538 0.038 15 0 "[ . 1 . 2]" 1
1020 1 73 MET ME 1 78 ILE HA . . 3.710 2.794 2.613 2.868 . 0 0 "[ . 1 . 2]" 1
1021 1 71 GLN QG 1 73 MET ME . . 5.500 5.517 5.455 5.574 0.074 15 0 "[ . 1 . 2]" 1
1022 1 73 MET ME 1 78 ILE MD . . 4.120 3.651 3.542 3.865 . 0 0 "[ . 1 . 2]" 1
1023 1 73 MET ME 1 78 ILE HG13 . . 3.170 2.688 2.311 2.907 . 0 0 "[ . 1 . 2]" 1
1024 1 73 MET HA 1 73 MET ME . . 4.520 4.178 4.101 4.266 . 0 0 "[ . 1 . 2]" 1
1025 1 71 GLN HE21 1 73 MET ME . . 5.500 5.514 5.446 5.548 0.048 15 0 "[ . 1 . 2]" 1
1026 1 73 MET ME 1 78 ILE HG12 . . 3.170 2.667 2.312 2.965 . 0 0 "[ . 1 . 2]" 1
1027 1 57 MET ME 1 58 ASN HD21 . . 4.570 4.536 4.521 4.589 0.019 18 0 "[ . 1 . 2]" 1
1028 1 57 MET ME 1 58 ASN HD22 . . 5.500 5.532 5.512 5.579 0.079 18 0 "[ . 1 . 2]" 1
1029 1 57 MET ME 1 66 ASP HB3 . . 4.820 4.797 4.606 4.830 0.010 3 0 "[ . 1 . 2]" 1
1030 1 39 ARG QD 1 73 MET ME . . 4.750 4.619 3.384 4.759 0.009 1 0 "[ . 1 . 2]" 1
1031 1 73 MET HB3 1 73 MET ME . . 3.090 2.217 2.103 2.446 . 0 0 "[ . 1 . 2]" 1
1032 1 27 ALA MB 1 40 ILE MD . . 3.580 3.309 3.241 3.455 . 0 0 "[ . 1 . 2]" 1
1033 1 15 ASP H 1 15 ASP HB2 . . 3.950 3.070 2.123 3.940 . 0 0 "[ . 1 . 2]" 1
1034 1 32 ASP HA 1 32 ASP HB2 . . 2.990 2.656 2.554 2.741 . 0 0 "[ . 1 . 2]" 1
1035 1 33 ASP HB3 1 55 ILE MG . . 3.560 3.222 3.009 3.425 . 0 0 "[ . 1 . 2]" 1
1036 1 87 ASP H 1 87 ASP HB3 . . 3.620 3.225 2.657 3.620 . 0 0 "[ . 1 . 2]" 1
1037 1 12 MET QG 1 13 VAL QG . . 3.840 3.402 2.333 3.841 0.001 15 0 "[ . 1 . 2]" 1
1038 1 80 GLU H 1 80 GLU HG2 . . 3.580 2.930 2.218 3.653 0.073 18 0 "[ . 1 . 2]" 1
1039 1 19 GLU H 1 19 GLU QG . . 3.140 2.616 2.003 2.890 . 0 0 "[ . 1 . 2]" 1
1040 1 25 GLU H 1 25 GLU HG3 . . 4.510 3.883 2.442 4.545 0.035 2 0 "[ . 1 . 2]" 1
1041 1 80 GLU HG3 1 81 GLU H . . 4.270 2.361 2.182 2.563 . 0 0 "[ . 1 . 2]" 1
1042 1 73 MET HB2 1 73 MET ME . . 2.910 2.167 1.988 2.285 . 0 0 "[ . 1 . 2]" 1
1043 1 12 MET ME 1 12 MET QG . . 3.420 2.167 1.973 2.420 . 0 0 "[ . 1 . 2]" 1
1044 1 72 GLU HA 1 72 GLU HG3 . . 3.690 3.552 2.438 3.695 0.005 5 0 "[ . 1 . 2]" 1
1045 1 77 GLU HA 1 80 GLU HG2 . . 4.530 2.388 1.971 2.945 . 0 0 "[ . 1 . 2]" 1
1046 1 77 GLU HA 1 80 GLU HG3 . . 4.530 3.032 2.610 3.272 . 0 0 "[ . 1 . 2]" 1
1047 1 64 PHE QD 1 72 GLU HG3 . . 3.640 3.466 2.264 3.643 0.003 6 0 "[ . 1 . 2]" 1
1048 1 64 PHE QD 1 72 GLU HG2 . . 3.640 2.286 1.994 3.654 0.014 12 0 "[ . 1 . 2]" 1
1049 1 78 ILE HA 1 78 ILE MD . . 3.950 3.893 3.853 3.906 . 0 0 "[ . 1 . 2]" 1
1050 1 71 GLN HE22 1 78 ILE MD . . 3.710 2.326 2.260 2.395 . 0 0 "[ . 1 . 2]" 1
1051 1 78 ILE H 1 78 ILE MD . . 3.540 3.281 2.851 3.447 . 0 0 "[ . 1 . 2]" 1
1052 1 37 TRP H 1 78 ILE MD . . 3.960 3.703 3.537 3.933 . 0 0 "[ . 1 . 2]" 1
1053 1 40 ILE H 1 40 ILE MD . . 3.860 3.853 3.790 3.895 0.035 10 0 "[ . 1 . 2]" 1
1054 1 48 ILE MD 1 54 TRP HE1 . . 3.810 3.421 2.428 3.817 0.007 4 0 "[ . 1 . 2]" 1
1055 1 28 TRP HB2 1 82 LEU MD1 . . 4.530 3.660 3.265 4.216 . 0 0 "[ . 1 . 2]" 1
1056 1 84 ILE H 1 84 ILE MG . . 3.150 2.716 2.605 2.782 . 0 0 "[ . 1 . 2]" 1
1057 1 82 LEU HB2 1 84 ILE HG12 . . 3.960 2.653 2.454 2.890 . 0 0 "[ . 1 . 2]" 1
1058 1 40 ILE MD 1 41 PRO HD2 . . 4.020 3.944 3.931 3.970 . 0 0 "[ . 1 . 2]" 1
1059 1 40 ILE MD 1 54 TRP HZ2 . . 4.810 4.655 4.240 4.823 0.013 18 0 "[ . 1 . 2]" 1
1060 1 40 ILE MD 1 42 ALA HA . . 5.060 5.026 4.981 5.055 . 0 0 "[ . 1 . 2]" 1
1061 1 40 ILE MD 1 41 PRO HD3 . . 5.500 5.251 5.240 5.266 . 0 0 "[ . 1 . 2]" 1
1062 1 27 ALA MB 1 40 ILE MG . . 4.970 4.742 4.684 4.842 . 0 0 "[ . 1 . 2]" 1
1063 1 40 ILE MD 1 44 VAL MG2 . . 3.690 3.284 3.099 3.409 . 0 0 "[ . 1 . 2]" 1
1064 1 40 ILE MD 1 44 VAL MG1 . . 3.690 1.988 1.929 2.140 . 0 0 "[ . 1 . 2]" 1
1065 1 48 ILE MG 1 54 TRP HD1 . . 3.440 3.007 2.574 3.475 0.035 7 0 "[ . 1 . 2]" 1
1066 1 50 GLU QG 1 51 SER HA . . 4.440 4.045 3.514 4.501 0.061 11 0 "[ . 1 . 2]" 1
1067 1 27 ALA MB 1 28 TRP HB2 . . 5.500 4.496 4.422 4.582 . 0 0 "[ . 1 . 2]" 1
1068 1 27 ALA MB 1 45 VAL MG1 . . 3.400 2.753 2.544 2.908 . 0 0 "[ . 1 . 2]" 1
1069 1 42 ALA MB 1 45 VAL MG1 . . 3.830 2.790 2.755 2.869 . 0 0 "[ . 1 . 2]" 1
1070 1 43 SER HA 1 45 VAL MG1 . . 4.560 4.384 4.326 4.519 . 0 0 "[ . 1 . 2]" 1
1071 1 3 ARG QB 1 3 ARG QG . . 2.310 2.058 2.023 2.091 . 0 0 "[ . 1 . 2]" 1
1072 1 3 ARG QB 1 3 ARG QD . . 2.850 2.112 1.952 2.251 . 0 0 "[ . 1 . 2]" 1
1073 1 3 ARG QB 1 4 ARG H . . 4.060 3.050 2.119 3.958 . 0 0 "[ . 1 . 2]" 1
1074 1 4 ARG QB 1 4 ARG QD . . 3.190 2.080 1.960 2.549 . 0 0 "[ . 1 . 2]" 1
1075 1 4 ARG H 1 4 ARG QG . . 4.850 3.336 2.286 4.278 . 0 0 "[ . 1 . 2]" 1
1076 1 4 ARG QG 1 5 ALA H . . 4.530 3.456 2.075 4.406 . 0 0 "[ . 1 . 2]" 1
1077 1 7 VAL QG 1 8 GLY QA . . 3.750 3.455 2.938 3.746 . 0 0 "[ . 1 . 2]" 1
1078 1 9 SER H 1 9 SER QB . . 3.250 2.900 2.623 3.198 . 0 0 "[ . 1 . 2]" 1
1079 1 9 SER QB 1 10 GLU H . . 3.800 2.811 1.985 3.333 . 0 0 "[ . 1 . 2]" 1
1080 1 10 GLU H 1 10 GLU QB . . 3.330 2.551 2.215 3.116 . 0 0 "[ . 1 . 2]" 1
1081 1 10 GLU H 1 10 GLU QG . . 4.260 3.739 2.167 4.201 . 0 0 "[ . 1 . 2]" 1
1082 1 10 GLU HA 1 10 GLU QG . . 3.410 2.302 2.000 3.346 . 0 0 "[ . 1 . 2]" 1
1083 1 10 GLU QB 1 10 GLU QG . . 2.160 2.056 1.996 2.091 . 0 0 "[ . 1 . 2]" 1
1084 1 10 GLU QB 1 11 PHE H . . 3.620 2.748 1.945 3.615 . 0 0 "[ . 1 . 2]" 1
1085 1 10 GLU QG 1 11 PHE H . . 3.490 2.794 1.977 3.447 . 0 0 "[ . 1 . 2]" 1
1086 1 11 PHE H 1 11 PHE QB . . 3.140 2.876 2.083 3.156 0.016 13 0 "[ . 1 . 2]" 1
1087 1 14 VAL H 1 14 VAL QG . . 3.260 2.193 1.877 3.250 . 0 0 "[ . 1 . 2]" 1
1088 1 14 VAL QG 1 15 ASP H . . 4.140 3.302 2.233 3.745 . 0 0 "[ . 1 . 2]" 1
1089 1 15 ASP H 1 15 ASP QB . . 3.190 2.684 2.085 3.169 . 0 0 "[ . 1 . 2]" 1
1090 1 15 ASP QB 1 16 VAL H . . 3.330 2.926 1.954 3.331 0.001 9 0 "[ . 1 . 2]" 1
1091 1 15 ASP QB 1 17 THR H . . 4.250 3.295 2.241 3.889 . 0 0 "[ . 1 . 2]" 1
1092 1 15 ASP QB 1 17 THR MG . . 5.340 4.318 2.872 5.096 . 0 0 "[ . 1 . 2]" 1
1093 1 18 ILE H 1 18 ILE QG . . 3.460 2.350 1.928 3.011 . 0 0 "[ . 1 . 2]" 1
1094 1 18 ILE QG 1 18 ILE MG . . 2.990 2.197 1.997 2.433 . 0 0 "[ . 1 . 2]" 1
1095 1 18 ILE QG 1 19 GLU H . . 4.950 4.406 4.113 4.473 . 0 0 "[ . 1 . 2]" 1
1096 1 18 ILE HA 1 18 ILE QG . . 3.630 2.967 2.471 3.132 . 0 0 "[ . 1 . 2]" 1
1097 1 18 ILE HB 1 19 GLU QB . . 5.050 4.746 3.560 5.075 0.025 1 0 "[ . 1 . 2]" 1
1098 1 19 GLU H 1 19 GLU QB . . 3.500 3.321 2.540 3.421 . 0 0 "[ . 1 . 2]" 1
1099 1 19 GLU HA 1 19 GLU QB . . 2.590 2.227 2.172 2.451 . 0 0 "[ . 1 . 2]" 1
1100 1 19 GLU QB 1 20 ASP H . . 3.850 3.568 2.741 3.864 0.014 11 0 "[ . 1 . 2]" 1
1101 1 19 GLU QB 1 19 GLU QG . . 2.440 2.068 2.030 2.091 . 0 0 "[ . 1 . 2]" 1
1102 1 22 TYR H 1 22 TYR QB . . 3.300 2.537 2.090 3.313 0.013 20 0 "[ . 1 . 2]" 1
1103 1 22 TYR QB 1 23 SER H . . 2.980 2.357 1.930 2.975 . 0 0 "[ . 1 . 2]" 1
1104 1 23 SER H 1 23 SER QB . . 3.520 2.656 2.043 3.257 . 0 0 "[ . 1 . 2]" 1
1105 1 23 SER QB 1 24 THR H . . 3.450 2.641 1.941 3.590 0.140 10 0 "[ . 1 . 2]" 1
1106 1 24 THR H 1 25 GLU QB . . 5.100 4.778 4.034 5.272 0.172 13 0 "[ . 1 . 2]" 1
1107 1 25 GLU H 1 25 GLU QB . . 2.930 2.537 2.060 3.020 0.090 7 0 "[ . 1 . 2]" 1
1108 1 25 GLU H 1 25 GLU QG . . 3.900 3.366 2.399 3.961 0.061 3 0 "[ . 1 . 2]" 1
1109 1 25 GLU QB 1 26 SER H . . 3.340 2.212 1.932 3.473 0.133 6 0 "[ . 1 . 2]" 1
1110 1 25 GLU QB 1 42 ALA MB . . 3.560 2.954 1.920 3.676 0.116 20 0 "[ . 1 . 2]" 1
1111 1 25 GLU QG 1 26 SER H . . 3.890 3.543 2.459 3.928 0.038 19 0 "[ . 1 . 2]" 1
1112 1 25 GLU QB 1 25 GLU QG . . 2.290 2.053 2.002 2.091 . 0 0 "[ . 1 . 2]" 1
1113 1 26 SER QB 1 39 ARG QB . . 5.210 4.345 4.178 4.674 . 0 0 "[ . 1 . 2]" 1
1114 1 27 ALA MB 1 29 VAL QG . . 4.450 3.647 3.033 4.436 . 0 0 "[ . 1 . 2]" 1
1115 1 27 ALA MB 1 28 TRP QB . . 5.340 4.274 4.214 4.346 . 0 0 "[ . 1 . 2]" 1
1116 1 28 TRP H 1 28 TRP QB . . 3.570 2.287 2.228 2.324 . 0 0 "[ . 1 . 2]" 1
1117 1 28 TRP H 1 29 VAL QG . . 5.440 4.530 4.036 5.249 . 0 0 "[ . 1 . 2]" 1
1118 1 28 TRP QB 1 28 TRP HE1 . . 4.520 4.408 4.398 4.417 . 0 0 "[ . 1 . 2]" 1
1119 1 28 TRP QB 1 29 VAL H . . 3.810 3.157 3.004 3.278 . 0 0 "[ . 1 . 2]" 1
1120 1 28 TRP QB 1 37 TRP HZ3 . . 5.070 2.575 2.483 2.641 . 0 0 "[ . 1 . 2]" 1
1121 1 28 TRP QB 1 38 ARG H . . 4.960 4.281 4.147 4.426 . 0 0 "[ . 1 . 2]" 1
1122 1 28 TRP QB 1 82 LEU MD1 . . 5.340 3.231 2.900 3.732 . 0 0 "[ . 1 . 2]" 1
1123 1 28 TRP QB 1 82 LEU MD2 . . 4.800 2.308 2.038 2.652 . 0 0 "[ . 1 . 2]" 1
1124 1 28 TRP HE1 1 39 ARG QG . . 4.520 3.990 3.556 4.632 0.112 10 0 "[ . 1 . 2]" 1
1125 1 29 VAL H 1 29 VAL QG . . 3.100 2.175 2.035 2.278 . 0 0 "[ . 1 . 2]" 1
1126 1 29 VAL QG 1 30 ARG H . . 3.430 2.881 1.937 3.447 0.017 7 0 "[ . 1 . 2]" 1
1127 1 29 VAL QG 1 38 ARG H . . 3.780 3.059 2.836 3.206 . 0 0 "[ . 1 . 2]" 1
1128 1 29 VAL QG 1 40 ILE MG . . 3.170 1.829 1.764 1.921 . 0 0 "[ . 1 . 2]" 1
1129 1 29 VAL QG 1 40 ILE HG12 . . 4.370 2.743 2.423 3.244 . 0 0 "[ . 1 . 2]" 1
1130 1 29 VAL QG 1 40 ILE MD . . 3.280 1.946 1.694 2.353 . 0 0 "[ . 1 . 2]" 1
1131 1 29 VAL QG 1 48 ILE MD . . 3.360 2.288 1.912 2.770 . 0 0 "[ . 1 . 2]" 1
1132 1 29 VAL QG 1 54 TRP QB . . 4.510 2.773 1.920 3.504 . 0 0 "[ . 1 . 2]" 1
1133 1 29 VAL QG 1 54 TRP HD1 . . 4.450 3.572 3.158 3.970 . 0 0 "[ . 1 . 2]" 1
1134 1 29 VAL QG 1 54 TRP HE3 . . 4.640 3.176 2.263 3.812 . 0 0 "[ . 1 . 2]" 1
1135 1 29 VAL QG 1 54 TRP HE1 . . 4.050 3.441 3.143 3.748 . 0 0 "[ . 1 . 2]" 1
1136 1 29 VAL QG 1 45 VAL MG2 . . 3.980 3.257 2.654 3.943 . 0 0 "[ . 1 . 2]" 1
1137 1 29 VAL QG 1 48 ILE MG . . 5.240 4.319 4.058 4.802 . 0 0 "[ . 1 . 2]" 1
1138 1 29 VAL QG 1 48 ILE QG . . 5.280 3.582 3.206 4.184 . 0 0 "[ . 1 . 2]" 1
1139 1 29 VAL QG 1 54 TRP HB2 . . 5.440 3.327 2.517 4.054 . 0 0 "[ . 1 . 2]" 1
1140 1 29 VAL QG 1 59 ASN HB2 . . 5.440 4.954 4.736 5.403 . 0 0 "[ . 1 . 2]" 1
1141 1 30 ARG QB 1 30 ARG QD . . 2.910 2.301 2.281 2.320 . 0 0 "[ . 1 . 2]" 1
1142 1 30 ARG QB 1 30 ARG HE . . 3.390 2.584 2.426 2.652 . 0 0 "[ . 1 . 2]" 1
1143 1 30 ARG QB 1 31 CYS H . . 3.720 3.577 3.549 3.622 . 0 0 "[ . 1 . 2]" 1
1144 1 30 ARG HA 1 31 CYS QB . . 4.690 4.074 4.065 4.086 . 0 0 "[ . 1 . 2]" 1
1145 1 30 ARG HG2 1 31 CYS QB . . 5.340 3.653 3.590 3.727 . 0 0 "[ . 1 . 2]" 1
1146 1 31 CYS H 1 31 CYS QB . . 3.340 2.269 2.253 2.275 . 0 0 "[ . 1 . 2]" 1
1147 1 31 CYS QB 1 32 ASP H . . 3.790 3.621 3.579 3.667 . 0 0 "[ . 1 . 2]" 1
1148 1 31 CYS QB 1 33 ASP H . . 4.380 3.154 3.091 3.210 . 0 0 "[ . 1 . 2]" 1
1149 1 31 CYS QB 1 34 CYS H . . 4.030 2.798 2.731 2.857 . 0 0 "[ . 1 . 2]" 1
1150 1 31 CYS QB 1 35 PHE H . . 3.860 2.521 2.383 2.588 . 0 0 "[ . 1 . 2]" 1
1151 1 31 CYS QB 1 56 CYS H . . 4.490 3.307 3.207 3.420 . 0 0 "[ . 1 . 2]" 1
1152 1 32 ASP H 1 32 ASP QB . . 3.260 2.331 2.287 2.374 . 0 0 "[ . 1 . 2]" 1
1153 1 32 ASP QB 1 54 TRP H . . 3.310 2.692 2.465 2.878 . 0 0 "[ . 1 . 2]" 1
1154 1 32 ASP QB 1 55 ILE MG . . 4.050 2.806 2.547 2.941 . 0 0 "[ . 1 . 2]" 1
1155 1 33 ASP H 1 33 ASP QB . . 2.830 2.689 2.641 2.743 . 0 0 "[ . 1 . 2]" 1
1156 1 33 ASP QB 1 34 CYS H . . 3.260 2.520 2.463 2.561 . 0 0 "[ . 1 . 2]" 1
1157 1 33 ASP QB 1 35 PHE H . . 4.520 4.191 4.138 4.220 . 0 0 "[ . 1 . 2]" 1
1158 1 33 ASP QB 1 55 ILE MG . . 3.050 2.371 2.022 2.559 . 0 0 "[ . 1 . 2]" 1
1159 1 34 CYS H 1 34 CYS QB . . 3.230 2.901 2.856 2.970 . 0 0 "[ . 1 . 2]" 1
1160 1 34 CYS QB 1 67 CYS HB3 . . 3.770 3.456 3.293 3.636 . 0 0 "[ . 1 . 2]" 1
1161 1 34 CYS QB 1 67 CYS QB . . 4.010 3.378 3.226 3.542 . 0 0 "[ . 1 . 2]" 1
1162 1 36 LYS QG 1 71 GLN QE . . 4.810 3.344 2.993 4.490 . 0 0 "[ . 1 . 2]" 1
1163 1 37 TRP H 1 71 GLN QE . . 4.670 2.737 2.441 2.975 . 0 0 "[ . 1 . 2]" 1
1164 1 37 TRP HA 1 71 GLN QE . . 5.340 4.403 4.284 4.542 . 0 0 "[ . 1 . 2]" 1
1165 1 37 TRP HB3 1 86 GLN QE . . 5.340 5.069 4.802 5.311 . 0 0 "[ . 1 . 2]" 1
1166 1 37 TRP HD1 1 71 GLN QE . . 3.540 3.096 2.708 3.308 . 0 0 "[ . 1 . 2]" 1
1167 1 37 TRP HE1 1 86 GLN QE . . 3.340 1.905 1.783 2.245 . 0 0 "[ . 1 . 2]" 1
1168 1 37 TRP H 1 37 TRP QB . . 3.360 2.156 2.130 2.190 . 0 0 "[ . 1 . 2]" 1
1169 1 37 TRP QB 1 37 TRP HE1 . . 4.470 4.384 4.381 4.386 . 0 0 "[ . 1 . 2]" 1
1170 1 37 TRP QB 1 38 ARG H . . 4.190 3.014 2.947 3.333 . 0 0 "[ . 1 . 2]" 1
1171 1 38 ARG H 1 71 GLN QE . . 5.340 5.310 5.193 5.388 0.048 12 0 "[ . 1 . 2]" 1
1172 1 38 ARG HE 1 64 PHE QB . . 3.690 2.563 2.045 3.012 . 0 0 "[ . 1 . 2]" 1
1173 1 38 ARG HE 1 72 GLU QG . . 3.500 3.104 2.145 3.543 0.043 18 0 "[ . 1 . 2]" 1
1174 1 38 ARG H 1 72 GLU QG . . 5.340 5.270 5.090 5.385 0.045 18 0 "[ . 1 . 2]" 1
1175 1 38 ARG HA 1 72 GLU QG . . 5.040 2.561 2.369 2.803 . 0 0 "[ . 1 . 2]" 1
1176 1 38 ARG QB 1 72 GLU QG . . 4.080 4.032 3.520 4.102 0.022 16 0 "[ . 1 . 2]" 1
1177 1 38 ARG QG 1 59 ASN QD . . 5.210 3.213 2.588 4.208 . 0 0 "[ . 1 . 2]" 1
1178 1 38 ARG QD 1 59 ASN QD . . 5.340 3.664 2.468 4.534 . 0 0 "[ . 1 . 2]" 1
1179 1 38 ARG HE 1 59 ASN QD . . 4.000 2.891 2.090 3.297 . 0 0 "[ . 1 . 2]" 1
1180 1 39 ARG HA 1 39 ARG QG . . 3.420 2.281 2.200 2.396 . 0 0 "[ . 1 . 2]" 1
1181 1 39 ARG QB 1 39 ARG HE . . 4.150 3.857 3.679 4.239 0.089 10 0 "[ . 1 . 2]" 1
1182 1 39 ARG HE 1 39 ARG QG . . 3.110 2.258 2.123 2.832 . 0 0 "[ . 1 . 2]" 1
1183 1 39 ARG H 1 39 ARG QG . . 4.390 3.959 3.885 4.042 . 0 0 "[ . 1 . 2]" 1
1184 1 39 ARG QB 1 39 ARG QD . . 3.270 2.076 1.998 2.118 . 0 0 "[ . 1 . 2]" 1
1185 1 39 ARG QG 1 81 GLU QG . . 5.340 4.617 4.094 5.289 . 0 0 "[ . 1 . 2]" 1
1186 1 40 ILE HB 1 44 VAL QG . . 3.130 1.966 1.941 1.985 . 0 0 "[ . 1 . 2]" 1
1187 1 40 ILE MD 1 44 VAL QG . . 3.210 1.972 1.911 2.116 . 0 0 "[ . 1 . 2]" 1
1188 1 40 ILE MD 1 48 ILE QG . . 4.570 2.339 2.155 2.537 . 0 0 "[ . 1 . 2]" 1
1189 1 41 PRO HG2 1 44 VAL QG . . 3.640 1.914 1.909 1.918 . 0 0 "[ . 1 . 2]" 1
1190 1 41 PRO HG3 1 44 VAL QG . . 3.850 3.254 3.235 3.296 . 0 0 "[ . 1 . 2]" 1
1191 1 41 PRO HD2 1 44 VAL QG . . 3.630 1.922 1.893 1.977 . 0 0 "[ . 1 . 2]" 1
1192 1 41 PRO HD3 1 44 VAL QG . . 3.700 3.316 3.291 3.365 . 0 0 "[ . 1 . 2]" 1
1193 1 43 SER H 1 43 SER QB . . 3.280 2.180 2.077 2.717 . 0 0 "[ . 1 . 2]" 1
1194 1 43 SER H 1 44 VAL QG . . 5.120 3.782 3.716 3.808 . 0 0 "[ . 1 . 2]" 1
1195 1 43 SER QB 1 44 VAL H . . 3.500 2.738 2.635 2.819 . 0 0 "[ . 1 . 2]" 1
1196 1 44 VAL H 1 44 VAL QG . . 2.950 2.086 2.035 2.117 . 0 0 "[ . 1 . 2]" 1
1197 1 44 VAL QG 1 45 VAL H . . 3.020 2.238 2.173 2.286 . 0 0 "[ . 1 . 2]" 1
1198 1 44 VAL QG 1 45 VAL HA . . 5.300 2.911 2.898 2.929 . 0 0 "[ . 1 . 2]" 1
1199 1 44 VAL QG 1 45 VAL MG2 . . 4.070 3.826 3.735 3.874 . 0 0 "[ . 1 . 2]" 1
1200 1 44 VAL QG 1 54 TRP HE1 . . 4.410 3.786 3.009 4.280 . 0 0 "[ . 1 . 2]" 1
1201 1 45 VAL MG2 1 46 GLY QA . . 5.120 4.139 4.100 4.212 . 0 0 "[ . 1 . 2]" 1
1202 1 45 VAL H 1 48 ILE QG . . 4.640 4.236 3.888 4.372 . 0 0 "[ . 1 . 2]" 1
1203 1 46 GLY H 1 48 ILE QG . . 5.120 4.414 4.324 4.462 . 0 0 "[ . 1 . 2]" 1
1204 1 46 GLY QA 1 47 SER H . . 3.000 2.856 2.826 2.875 . 0 0 "[ . 1 . 2]" 1
1205 1 47 SER H 1 48 ILE QG . . 4.220 2.945 2.911 2.993 . 0 0 "[ . 1 . 2]" 1
1206 1 48 ILE H 1 48 ILE QG . . 2.910 1.995 1.923 2.066 . 0 0 "[ . 1 . 2]" 1
1207 1 48 ILE HA 1 48 ILE QG . . 3.740 3.351 3.306 3.386 . 0 0 "[ . 1 . 2]" 1
1208 1 48 ILE QG 1 48 ILE MG . . 2.750 1.954 1.910 2.038 . 0 0 "[ . 1 . 2]" 1
1209 1 48 ILE QG 1 49 ASP H . . 3.630 2.301 1.939 2.662 . 0 0 "[ . 1 . 2]" 1
1210 1 48 ILE QG 1 54 TRP HE1 . . 4.390 3.713 3.164 4.112 . 0 0 "[ . 1 . 2]" 1
1211 1 50 GLU H 1 50 GLU QB . . 3.070 2.674 2.236 2.888 . 0 0 "[ . 1 . 2]" 1
1212 1 50 GLU H 1 51 SER QB . . 4.810 4.275 3.856 4.877 0.067 11 0 "[ . 1 . 2]" 1
1213 1 50 GLU QB 1 51 SER H . . 4.300 3.625 3.038 3.961 . 0 0 "[ . 1 . 2]" 1
1214 1 51 SER H 1 51 SER QB . . 3.030 2.587 2.211 3.093 0.063 11 0 "[ . 1 . 2]" 1
1215 1 51 SER QB 1 53 ARG H . . 4.250 3.396 2.876 4.395 0.145 7 0 "[ . 1 . 2]" 1
1216 1 51 SER QB 1 52 SER H . . 3.460 2.758 1.929 3.591 0.131 11 0 "[ . 1 . 2]" 1
1217 1 53 ARG H 1 54 TRP QB . . 5.340 4.540 4.187 5.143 . 0 0 "[ . 1 . 2]" 1
1218 1 53 ARG QB 1 53 ARG QD . . 2.890 2.093 1.945 2.387 . 0 0 "[ . 1 . 2]" 1
1219 1 54 TRP H 1 54 TRP QB . . 3.050 2.819 2.582 2.882 . 0 0 "[ . 1 . 2]" 1
1220 1 54 TRP QB 1 54 TRP HE3 . . 3.660 2.633 2.584 2.667 . 0 0 "[ . 1 . 2]" 1
1221 1 54 TRP HZ2 1 59 ASN QD . . 4.840 3.745 3.440 4.066 . 0 0 "[ . 1 . 2]" 1
1222 1 56 CYS H 1 56 CYS QB . . 3.340 2.554 2.490 2.583 . 0 0 "[ . 1 . 2]" 1
1223 1 56 CYS QB 1 57 MET H . . 3.600 2.307 2.274 2.335 . 0 0 "[ . 1 . 2]" 1
1224 1 56 CYS QB 1 65 ALA HA . . 5.340 3.449 3.334 3.611 . 0 0 "[ . 1 . 2]" 1
1225 1 56 CYS QB 1 66 ASP H . . 3.380 2.101 1.971 2.299 . 0 0 "[ . 1 . 2]" 1
1226 1 56 CYS QB 1 66 ASP HA . . 4.580 2.702 2.611 2.876 . 0 0 "[ . 1 . 2]" 1
1227 1 57 MET ME 1 66 ASP QB . . 4.630 4.522 4.348 4.554 . 0 0 "[ . 1 . 2]" 1
1228 1 59 ASN HD21 1 64 PHE QB . . 2.880 2.809 2.630 2.886 0.006 7 0 "[ . 1 . 2]" 1
1229 1 59 ASN HD21 1 72 GLU QG . . 5.340 5.293 5.113 5.359 0.019 13 0 "[ . 1 . 2]" 1
1230 1 59 ASN HD22 1 64 PHE QB . . 3.530 3.182 2.934 3.343 . 0 0 "[ . 1 . 2]" 1
1231 1 59 ASN QD 1 61 ASP H . . 3.480 3.061 2.868 3.246 . 0 0 "[ . 1 . 2]" 1
1232 1 59 ASN QD 1 61 ASP QB . . 3.520 2.307 1.866 2.508 . 0 0 "[ . 1 . 2]" 1
1233 1 59 ASN QD 1 64 PHE H . . 5.190 4.057 3.619 4.331 . 0 0 "[ . 1 . 2]" 1
1234 1 59 ASN QD 1 64 PHE QB . . 3.010 2.633 2.485 2.724 . 0 0 "[ . 1 . 2]" 1
1235 1 59 ASN QD 1 72 GLU QG . . 5.180 4.563 4.396 4.696 . 0 0 "[ . 1 . 2]" 1
1236 1 60 SER H 1 60 SER QB . . 3.230 2.216 2.046 2.912 . 0 0 "[ . 1 . 2]" 1
1237 1 60 SER QB 1 61 ASP H . . 3.410 3.027 2.786 3.414 0.004 3 0 "[ . 1 . 2]" 1
1238 1 60 SER H 1 61 ASP QB . . 4.890 4.177 4.027 4.299 . 0 0 "[ . 1 . 2]" 1
1239 1 61 ASP QB 1 62 LYS H . . 3.650 2.461 2.227 2.892 . 0 0 "[ . 1 . 2]" 1
1240 1 61 ASP QB 1 64 PHE H . . 5.180 2.435 2.197 2.616 . 0 0 "[ . 1 . 2]" 1
1241 1 62 LYS H 1 62 LYS QB . . 3.250 2.966 2.754 3.135 . 0 0 "[ . 1 . 2]" 1
1242 1 62 LYS HA 1 62 LYS QB . . 2.650 2.220 2.164 2.293 . 0 0 "[ . 1 . 2]" 1
1243 1 62 LYS QB 1 63 ARG H . . 4.060 2.991 2.237 3.880 . 0 0 "[ . 1 . 2]" 1
1244 1 62 LYS QB 1 63 ARG QD . . 4.370 3.385 2.579 4.366 . 0 0 "[ . 1 . 2]" 1
1245 1 62 LYS QE 1 63 ARG QB . . 5.340 3.754 1.964 4.309 . 0 0 "[ . 1 . 2]" 1
1246 1 63 ARG H 1 63 ARG QB . . 2.720 2.156 2.048 2.465 . 0 0 "[ . 1 . 2]" 1
1247 1 63 ARG HA 1 63 ARG QG . . 3.560 2.250 2.065 2.973 . 0 0 "[ . 1 . 2]" 1
1248 1 63 ARG QB 1 64 PHE QD . . 3.680 2.273 1.992 2.625 . 0 0 "[ . 1 . 2]" 1
1249 1 63 ARG QB 1 64 PHE QE . . 4.070 3.244 2.884 3.822 . 0 0 "[ . 1 . 2]" 1
1250 1 64 PHE HA 1 69 LYS QB . . 3.700 2.778 2.586 2.983 . 0 0 "[ . 1 . 2]" 1
1251 1 64 PHE QD 1 72 GLU QG . . 3.010 2.132 1.985 2.386 . 0 0 "[ . 1 . 2]" 1
1252 1 64 PHE H 1 64 PHE QB . . 3.650 2.415 2.372 2.507 . 0 0 "[ . 1 . 2]" 1
1253 1 64 PHE QB 1 65 ALA H . . 3.800 3.702 3.615 3.792 . 0 0 "[ . 1 . 2]" 1
1254 1 65 ALA H 1 69 LYS QB . . 5.070 4.620 3.932 5.067 . 0 0 "[ . 1 . 2]" 1
1255 1 66 ASP H 1 66 ASP QB . . 3.640 2.940 2.917 2.957 . 0 0 "[ . 1 . 2]" 1
1256 1 66 ASP H 1 69 LYS QB . . 3.760 3.491 3.257 3.786 0.026 13 0 "[ . 1 . 2]" 1
1257 1 66 ASP QB 1 67 CYS H . . 3.350 3.027 2.873 3.063 . 0 0 "[ . 1 . 2]" 1
1258 1 66 ASP QB 1 69 LYS H . . 4.160 2.750 2.546 2.988 . 0 0 "[ . 1 . 2]" 1
1259 1 66 ASP QB 1 69 LYS QG . . 3.820 2.159 1.881 3.179 . 0 0 "[ . 1 . 2]" 1
1260 1 67 CYS H 1 67 CYS QB . . 3.250 2.150 2.109 2.184 . 0 0 "[ . 1 . 2]" 1
1261 1 68 SER H 1 68 SER QB . . 3.070 2.208 2.055 2.899 . 0 0 "[ . 1 . 2]" 1
1262 1 68 SER QB 1 69 LYS H . . 3.590 2.941 2.636 3.376 . 0 0 "[ . 1 . 2]" 1
1263 1 69 LYS H 1 69 LYS QB . . 3.020 2.523 2.292 2.607 . 0 0 "[ . 1 . 2]" 1
1264 1 70 SER QB 1 71 GLN H . . 3.010 2.222 1.935 2.980 . 0 0 "[ . 1 . 2]" 1
1265 1 71 GLN H 1 71 GLN QB . . 2.750 2.245 2.211 2.269 . 0 0 "[ . 1 . 2]" 1
1266 1 71 GLN QE 1 71 GLN QG . . 2.970 2.210 2.116 2.227 . 0 0 "[ . 1 . 2]" 1
1267 1 71 GLN QE 1 72 GLU QB . . 5.340 4.701 4.087 4.986 . 0 0 "[ . 1 . 2]" 1
1268 1 71 GLN QE 1 73 MET H . . 4.190 3.366 2.977 3.505 . 0 0 "[ . 1 . 2]" 1
1269 1 71 GLN QE 1 73 MET HB3 . . 5.340 5.097 4.911 5.344 0.004 18 0 "[ . 1 . 2]" 1
1270 1 71 GLN QE 1 73 MET ME . . 5.340 5.209 5.153 5.273 . 0 0 "[ . 1 . 2]" 1
1271 1 71 GLN QE 1 74 SER HA . . 4.520 4.217 3.836 4.458 . 0 0 "[ . 1 . 2]" 1
1272 1 71 GLN QE 1 75 ASN H . . 4.350 4.211 4.019 4.354 0.004 13 0 "[ . 1 . 2]" 1
1273 1 71 GLN QE 1 75 ASN HA . . 3.930 3.591 3.433 3.820 . 0 0 "[ . 1 . 2]" 1
1274 1 71 GLN QE 1 75 ASN QB . . 4.840 4.690 4.389 4.851 0.011 9 0 "[ . 1 . 2]" 1
1275 1 71 GLN QE 1 78 ILE QG . . 4.860 3.554 3.428 3.623 . 0 0 "[ . 1 . 2]" 1
1276 1 71 GLN QE 1 78 ILE MD . . 3.170 1.813 1.773 1.845 . 0 0 "[ . 1 . 2]" 1
1277 1 71 GLN QE 1 86 GLN QE . . 5.170 4.934 4.801 5.002 . 0 0 "[ . 1 . 2]" 1
1278 1 71 GLN QB 1 71 GLN HE22 . . 4.400 4.129 4.047 4.141 . 0 0 "[ . 1 . 2]" 1
1279 1 71 GLN QB 1 72 GLU H . . 4.060 3.295 3.174 3.663 . 0 0 "[ . 1 . 2]" 1
1280 1 71 GLN QB 1 72 GLU HA . . 5.340 4.687 4.543 5.038 . 0 0 "[ . 1 . 2]" 1
1281 1 71 GLN HE21 1 78 ILE QG . . 4.460 3.763 3.582 3.855 . 0 0 "[ . 1 . 2]" 1
1282 1 71 GLN HE22 1 86 GLN QE . . 5.340 5.338 5.120 5.364 0.024 8 0 "[ . 1 . 2]" 1
1283 1 72 GLU H 1 72 GLU QG . . 3.830 2.613 2.191 3.535 . 0 0 "[ . 1 . 2]" 1
1284 1 72 GLU HA 1 72 GLU QG . . 2.930 2.479 2.246 2.595 . 0 0 "[ . 1 . 2]" 1
1285 1 73 MET HA 1 73 MET QG . . 3.110 2.238 2.112 2.383 . 0 0 "[ . 1 . 2]" 1
1286 1 73 MET HB3 1 78 ILE QG . . 3.750 2.824 2.633 3.172 . 0 0 "[ . 1 . 2]" 1
1287 1 73 MET ME 1 73 MET QG . . 2.640 2.551 2.511 2.611 . 0 0 "[ . 1 . 2]" 1
1288 1 73 MET QG 1 74 SER H . . 4.650 3.652 3.197 3.924 . 0 0 "[ . 1 . 2]" 1
1289 1 73 MET H 1 73 MET QB . . 3.670 2.582 2.490 2.662 . 0 0 "[ . 1 . 2]" 1
1290 1 73 MET H 1 73 MET QG . . 3.810 3.368 3.060 3.702 . 0 0 "[ . 1 . 2]" 1
1291 1 73 MET QB 1 73 MET ME . . 3.110 1.943 1.896 1.987 . 0 0 "[ . 1 . 2]" 1
1292 1 73 MET QB 1 74 SER H . . 3.840 2.407 2.243 2.842 . 0 0 "[ . 1 . 2]" 1
1293 1 73 MET QB 1 78 ILE H . . 3.800 3.626 3.483 3.709 . 0 0 "[ . 1 . 2]" 1
1294 1 73 MET QB 1 78 ILE QG . . 4.260 2.416 2.256 2.521 . 0 0 "[ . 1 . 2]" 1
1295 1 73 MET ME 1 78 ILE QG . . 3.170 2.357 2.144 2.604 . 0 0 "[ . 1 . 2]" 1
1296 1 74 SER H 1 74 SER QB . . 3.210 2.478 2.110 2.910 . 0 0 "[ . 1 . 2]" 1
1297 1 74 SER H 1 76 GLU QG . . 5.180 4.275 4.117 4.415 . 0 0 "[ . 1 . 2]" 1
1298 1 74 SER QB 1 75 ASN H . . 3.280 2.683 2.462 3.287 0.007 16 0 "[ . 1 . 2]" 1
1299 1 74 SER QB 1 77 GLU H . . 3.120 2.651 2.449 3.123 0.003 19 0 "[ . 1 . 2]" 1
1300 1 74 SER QB 1 76 GLU H . . 5.340 2.743 2.528 3.103 . 0 0 "[ . 1 . 2]" 1
1301 1 76 GLU H 1 76 GLU QB . . 2.990 2.580 2.565 2.596 . 0 0 "[ . 1 . 2]" 1
1302 1 76 GLU HA 1 76 GLU QG . . 3.550 3.340 3.331 3.383 . 0 0 "[ . 1 . 2]" 1
1303 1 76 GLU HA 1 79 ASN QD . . 3.720 2.223 1.938 2.824 . 0 0 "[ . 1 . 2]" 1
1304 1 76 GLU QB 1 77 GLU H . . 3.630 3.238 3.204 3.267 . 0 0 "[ . 1 . 2]" 1
1305 1 76 GLU QG 1 77 GLU H . . 3.500 1.906 1.867 1.960 . 0 0 "[ . 1 . 2]" 1
1306 1 76 GLU QG 1 78 ILE H . . 4.810 4.247 4.115 4.412 . 0 0 "[ . 1 . 2]" 1
1307 1 76 GLU H 1 76 GLU QG . . 3.610 1.928 1.902 1.959 . 0 0 "[ . 1 . 2]" 1
1308 1 76 GLU QG 1 77 GLU HA . . 4.510 3.571 3.377 4.217 . 0 0 "[ . 1 . 2]" 1
1309 1 78 ILE H 1 78 ILE QG . . 2.920 2.010 1.926 2.246 . 0 0 "[ . 1 . 2]" 1
1310 1 78 ILE HA 1 78 ILE QG . . 3.650 2.476 2.427 2.502 . 0 0 "[ . 1 . 2]" 1
1311 1 78 ILE QG 1 86 GLN QE . . 4.760 4.142 4.007 4.277 . 0 0 "[ . 1 . 2]" 1
1312 1 78 ILE MD 1 86 GLN QE . . 4.970 3.104 2.885 3.282 . 0 0 "[ . 1 . 2]" 1
1313 1 78 ILE H 1 86 GLN QE . . 5.340 4.778 4.590 5.126 . 0 0 "[ . 1 . 2]" 1
1314 1 78 ILE QG 1 79 ASN H . . 4.220 3.947 3.870 4.075 . 0 0 "[ . 1 . 2]" 1
1315 1 78 ILE QG 1 82 LEU MD1 . . 5.000 3.927 3.744 4.084 . 0 0 "[ . 1 . 2]" 1
1316 1 79 ASN H 1 80 GLU QG . . 4.880 4.395 4.037 4.773 . 0 0 "[ . 1 . 2]" 1
1317 1 79 ASN QD 1 80 GLU H . . 3.970 2.439 2.308 2.814 . 0 0 "[ . 1 . 2]" 1
1318 1 79 ASN H 1 79 ASN QD . . 3.480 3.349 3.195 3.517 0.037 5 0 "[ . 1 . 2]" 1
1319 1 79 ASN HA 1 84 ILE QG . . 3.390 2.241 2.138 2.374 . 0 0 "[ . 1 . 2]" 1
1320 1 80 GLU H 1 80 GLU QG . . 2.980 2.448 2.175 2.785 . 0 0 "[ . 1 . 2]" 1
1321 1 80 GLU HA 1 80 GLU QG . . 3.600 3.386 3.332 3.443 . 0 0 "[ . 1 . 2]" 1
1322 1 80 GLU QG 1 81 GLU H . . 3.350 2.272 2.171 2.354 . 0 0 "[ . 1 . 2]" 1
1323 1 80 GLU QG 1 81 GLU HA . . 4.340 3.218 3.062 3.403 . 0 0 "[ . 1 . 2]" 1
1324 1 82 LEU MD1 1 83 GLY QA . . 5.340 5.245 5.012 5.441 0.101 18 0 "[ . 1 . 2]" 1
1325 1 82 LEU H 1 82 LEU QB . . 3.310 2.489 2.429 2.567 . 0 0 "[ . 1 . 2]" 1
1326 1 82 LEU H 1 83 GLY QA . . 4.810 4.297 4.232 4.332 . 0 0 "[ . 1 . 2]" 1
1327 1 82 LEU H 1 84 ILE QG . . 4.560 4.101 4.051 4.153 . 0 0 "[ . 1 . 2]" 1
1328 1 82 LEU QB 1 83 GLY H . . 3.730 2.803 2.793 2.815 . 0 0 "[ . 1 . 2]" 1
1329 1 82 LEU QB 1 84 ILE H . . 3.930 2.989 2.783 3.140 . 0 0 "[ . 1 . 2]" 1
1330 1 82 LEU QB 1 84 ILE HB . . 5.030 4.708 4.658 4.778 . 0 0 "[ . 1 . 2]" 1
1331 1 82 LEU QB 1 84 ILE MG . . 3.700 2.338 2.195 2.424 . 0 0 "[ . 1 . 2]" 1
1332 1 82 LEU QB 1 84 ILE QG . . 4.410 2.600 2.410 2.828 . 0 0 "[ . 1 . 2]" 1
1333 1 82 LEU QB 1 84 ILE MD . . 5.340 3.148 2.919 3.421 . 0 0 "[ . 1 . 2]" 1
1334 1 82 LEU MD1 1 84 ILE QG . . 5.340 2.851 2.725 2.951 . 0 0 "[ . 1 . 2]" 1
1335 1 82 LEU MD1 1 86 GLN QE . . 3.920 3.007 2.754 3.262 . 0 0 "[ . 1 . 2]" 1
1336 1 83 GLY H 1 83 GLY QA . . 2.560 2.255 2.238 2.266 . 0 0 "[ . 1 . 2]" 1
1337 1 83 GLY QA 1 84 ILE H . . 2.950 2.779 2.736 2.851 . 0 0 "[ . 1 . 2]" 1
1338 1 83 GLY H 1 84 ILE QG . . 4.950 3.536 3.499 3.576 . 0 0 "[ . 1 . 2]" 1
1339 1 84 ILE HB 1 86 GLN QE . . 5.340 5.135 4.899 5.343 0.003 16 0 "[ . 1 . 2]" 1
1340 1 84 ILE HG12 1 86 GLN QE . . 5.130 3.695 2.970 4.128 . 0 0 "[ . 1 . 2]" 1
1341 1 84 ILE H 1 84 ILE QG . . 3.300 2.013 1.975 2.049 . 0 0 "[ . 1 . 2]" 1
1342 1 84 ILE QG 1 85 GLY H . . 3.270 2.977 2.860 3.079 . 0 0 "[ . 1 . 2]" 1
1343 1 84 ILE QG 1 86 GLN H . . 5.340 2.478 2.172 3.212 . 0 0 "[ . 1 . 2]" 1
1344 1 84 ILE QG 1 86 GLN QE . . 5.180 3.260 2.635 3.637 . 0 0 "[ . 1 . 2]" 1
1345 1 85 GLY QA 1 86 GLN H . . 2.690 2.455 2.267 2.586 . 0 0 "[ . 1 . 2]" 1
1346 1 86 GLN H 1 86 GLN QB . . 2.940 2.173 2.044 2.930 . 0 0 "[ . 1 . 2]" 1
1347 1 86 GLN QB 1 86 GLN QG . . 2.350 2.080 2.072 2.088 . 0 0 "[ . 1 . 2]" 1
1348 1 86 GLN QB 1 87 ASP H . . 3.140 2.642 2.100 3.225 0.085 14 0 "[ . 1 . 2]" 1
1349 1 86 GLN QE 1 86 GLN QG . . 3.080 2.137 2.068 2.227 . 0 0 "[ . 1 . 2]" 1
1350 1 86 GLN QB 1 86 GLN QE . . 3.850 3.415 2.761 3.573 . 0 0 "[ . 1 . 2]" 1
1351 1 87 ASP H 1 87 ASP QB . . 3.010 2.441 2.180 2.949 . 0 0 "[ . 1 . 2]" 1
1352 1 88 GLU H 1 88 GLU QB . . 3.010 2.457 2.222 2.630 . 0 0 "[ . 1 . 2]" 1
1353 1 88 GLU HA 1 88 GLU QB . . 2.500 2.249 2.175 2.395 . 0 0 "[ . 1 . 2]" 1
1354 1 90 ASP H 1 90 ASP QB . . 2.990 2.461 2.048 2.950 . 0 0 "[ . 1 . 2]" 1
1355 1 90 ASP QB 1 91 ALA H . . 3.410 2.457 1.991 3.134 . 0 0 "[ . 1 . 2]" 1
1356 1 90 ASP QB 1 92 TYR H . . 5.340 3.514 2.105 5.335 . 0 0 "[ . 1 . 2]" 1
1357 1 91 ALA H 1 92 TYR QB . . 4.870 4.270 3.286 4.912 0.042 18 0 "[ . 1 . 2]" 1
1358 1 92 TYR H 1 92 TYR QB . . 3.100 2.549 2.037 3.106 0.006 10 0 "[ . 1 . 2]" 1
1359 1 92 TYR H 1 93 ASP QB . . 5.340 4.966 4.313 5.334 . 0 0 "[ . 1 . 2]" 1
1360 1 92 TYR QB 1 93 ASP H . . 3.500 2.657 1.928 3.607 0.107 5 0 "[ . 1 . 2]" 1
1361 1 93 ASP H 1 93 ASP QB . . 3.190 2.884 2.582 3.149 . 0 0 "[ . 1 . 2]" 1
1362 1 93 ASP QB 1 94 CYS H . . 4.160 3.272 2.314 4.056 . 0 0 "[ . 1 . 2]" 1
1363 1 94 CYS QB 1 95 ASP H . . 3.990 3.040 2.013 3.989 . 0 0 "[ . 1 . 2]" 1
1364 1 94 CYS QB 1 96 ALA H . . 5.220 3.857 2.547 4.947 . 0 0 "[ . 1 . 2]" 1
1365 1 95 ASP H 1 95 ASP QB . . 3.420 3.044 2.158 3.422 0.002 7 0 "[ . 1 . 2]" 1
1366 1 95 ASP QB 1 96 ALA H . . 4.390 3.720 2.539 4.052 . 0 0 "[ . 1 . 2]" 1
1367 1 95 ASP QB 1 98 LYS H . . 4.780 4.115 3.237 4.707 . 0 0 "[ . 1 . 2]" 1
1368 1 98 LYS H 1 98 LYS QB . . 3.120 2.762 2.042 3.146 0.026 8 0 "[ . 1 . 2]" 1
1369 1 98 LYS HA 1 98 LYS QG . . 3.600 2.585 2.086 3.439 . 0 0 "[ . 1 . 2]" 1
1370 1 98 LYS QG 1 99 ARG H . . 5.340 3.351 1.928 4.866 . 0 0 "[ . 1 . 2]" 1
1371 1 98 LYS H 1 98 LYS QG . . 4.240 3.421 2.070 4.242 0.002 9 0 "[ . 1 . 2]" 1
1372 1 99 ARG QB 1 100 GLY H . . 2.890 2.427 1.950 3.007 0.117 5 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 6
_Distance_constraint_stats_list.Viol_count 66
_Distance_constraint_stats_list.Viol_total 2.513
_Distance_constraint_stats_list.Viol_max 0.008
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0019
_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 31 CYS 0.076 0.007 12 0 "[ . 1 . 2]"
1 34 CYS 0.064 0.007 12 0 "[ . 1 . 2]"
1 56 CYS 0.064 0.008 13 0 "[ . 1 . 2]"
1 67 CYS 0.047 0.008 13 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 31 CYS SG 1 34 CYS SG . 3.650 3.850 3.653 3.643 3.697 0.007 12 0 "[ . 1 . 2]" 2
2 1 31 CYS SG 1 56 CYS SG . 3.650 3.850 3.649 3.644 3.655 0.006 13 0 "[ . 1 . 2]" 2
3 1 31 CYS SG 1 67 CYS SG . 3.650 3.850 3.704 3.647 3.851 0.003 19 0 "[ . 1 . 2]" 2
4 1 34 CYS SG 1 56 CYS SG . 3.650 3.850 3.785 3.648 3.855 0.005 10 0 "[ . 1 . 2]" 2
5 1 34 CYS SG 1 67 CYS SG . 3.650 3.850 3.811 3.646 3.852 0.004 13 0 "[ . 1 . 2]" 2
6 1 56 CYS SG 1 67 CYS SG . 3.650 3.850 3.851 3.849 3.858 0.008 13 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 309
_Distance_constraint_stats_list.Viol_total 1028.097
_Distance_constraint_stats_list.Viol_max 0.303
_Distance_constraint_stats_list.Viol_rms 0.0948
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1606
_Distance_constraint_stats_list.Viol_average_violations_only 0.1664
_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 27 ALA 10.782 0.295 19 0 "[ . 1 . 2]"
1 29 VAL 13.504 0.254 18 0 "[ . 1 . 2]"
1 38 ARG 13.504 0.254 18 0 "[ . 1 . 2]"
1 40 ILE 10.782 0.295 19 0 "[ . 1 . 2]"
1 75 ASN 1.776 0.174 8 0 "[ . 1 . 2]"
1 76 GLU 9.251 0.270 9 0 "[ . 1 . 2]"
1 77 GLU 5.951 0.225 6 0 "[ . 1 . 2]"
1 78 ILE 10.142 0.303 15 0 "[ . 1 . 2]"
1 79 ASN 1.776 0.174 8 0 "[ . 1 . 2]"
1 80 GLU 9.251 0.270 9 0 "[ . 1 . 2]"
1 81 GLU 5.951 0.225 6 0 "[ . 1 . 2]"
1 82 LEU 10.142 0.303 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 27 ALA H 1 40 ILE O . . 1.800 1.822 1.798 1.900 0.100 11 0 "[ . 1 . 2]" 3
2 1 27 ALA N 1 40 ILE O . . 2.700 2.735 2.714 2.750 0.050 2 0 "[ . 1 . 2]" 3
3 1 29 VAL H 1 38 ARG O . . 1.800 1.993 1.899 2.006 0.206 9 0 "[ . 1 . 2]" 3
4 1 29 VAL N 1 38 ARG O . . 2.700 2.926 2.858 2.954 0.254 18 0 "[ . 1 . 2]" 3
5 1 27 ALA O 1 40 ILE H . . 1.800 2.005 1.981 2.021 0.221 18 0 "[ . 1 . 2]" 3
6 1 27 ALA O 1 40 ILE N . . 2.700 2.976 2.942 2.995 0.295 19 0 "[ . 1 . 2]" 3
7 1 29 VAL O 1 38 ARG H . . 1.800 2.006 1.988 2.016 0.216 18 0 "[ . 1 . 2]" 3
8 1 29 VAL O 1 38 ARG N . . 2.700 2.751 2.730 2.866 0.166 7 0 "[ . 1 . 2]" 3
9 1 75 ASN O 1 79 ASN H . . 1.800 1.823 1.797 1.943 0.143 8 0 "[ . 1 . 2]" 3
10 1 75 ASN O 1 79 ASN N . . 2.700 2.765 2.737 2.874 0.174 8 0 "[ . 1 . 2]" 3
11 1 76 GLU O 1 80 GLU H . . 1.800 2.010 2.003 2.018 0.218 7 0 "[ . 1 . 2]" 3
12 1 76 GLU O 1 80 GLU N . . 2.700 2.953 2.943 2.970 0.270 9 0 "[ . 1 . 2]" 3
13 1 77 GLU O 1 81 GLU H . . 1.800 2.012 2.002 2.025 0.225 6 0 "[ . 1 . 2]" 3
14 1 77 GLU O 1 81 GLU N . . 2.700 2.785 2.741 2.851 0.151 18 0 "[ . 1 . 2]" 3
15 1 78 ILE O 1 82 LEU H . . 1.800 2.017 2.001 2.034 0.234 12 0 "[ . 1 . 2]" 3
16 1 78 ILE O 1 82 LEU N . . 2.700 2.990 2.975 3.003 0.303 15 0 "[ . 1 . 2]" 3
stop_
save_
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