NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512806 |
2l9w   |
17490 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l9w
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 1281
_Distance_constraint_stats_list.Viol_count 2432
_Distance_constraint_stats_list.Viol_total 2255.167
_Distance_constraint_stats_list.Viol_max 0.374
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0464
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PHE 0.277 0.073 13 0 "[ . 1 . 2]"
1 3 LEU 0.571 0.073 13 0 "[ . 1 . 2]"
1 4 GLU 1.393 0.082 19 0 "[ . 1 . 2]"
1 5 ARG 0.102 0.032 13 0 "[ . 1 . 2]"
1 6 ASN 0.126 0.028 19 0 "[ . 1 . 2]"
1 7 GLU 0.826 0.064 14 0 "[ . 1 . 2]"
1 8 VAL 4.444 0.200 2 0 "[ . 1 . 2]"
1 9 LYS 0.092 0.024 13 0 "[ . 1 . 2]"
1 10 ARG 0.073 0.019 1 0 "[ . 1 . 2]"
1 11 LEU 1.895 0.064 14 0 "[ . 1 . 2]"
1 12 LEU 1.281 0.104 8 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 1.656 0.146 14 0 "[ . 1 . 2]"
1 15 ARG 1.692 0.123 7 0 "[ . 1 . 2]"
1 16 ASN 0.815 0.039 9 0 "[ . 1 . 2]"
1 17 SER 0.484 0.053 12 0 "[ . 1 . 2]"
1 18 LYS 0.572 0.057 10 0 "[ . 1 . 2]"
1 19 GLU 0.283 0.057 10 0 "[ . 1 . 2]"
1 20 LEU 9.646 0.184 2 0 "[ . 1 . 2]"
1 21 GLU 1.894 0.084 19 0 "[ . 1 . 2]"
1 22 THR 5.472 0.186 4 0 "[ . 1 . 2]"
1 23 LEU 6.465 0.184 2 0 "[ . 1 . 2]"
1 24 ILE 5.021 0.142 5 0 "[ . 1 . 2]"
1 25 CYS 1.950 0.212 20 0 "[ . 1 . 2]"
1 26 LEU 1.238 0.154 16 0 "[ . 1 . 2]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 3.615 0.231 17 0 "[ . 1 . 2]"
1 29 LEU 3.298 0.156 10 0 "[ . 1 . 2]"
1 30 SER 1.565 0.130 19 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 1.054 0.074 16 0 "[ . 1 . 2]"
1 33 VAL 5.550 0.205 6 0 "[ . 1 . 2]"
1 34 SER 0.451 0.065 1 0 "[ . 1 . 2]"
1 35 PRO 0.434 0.063 15 0 "[ . 1 . 2]"
1 36 SER 0.155 0.028 10 0 "[ . 1 . 2]"
1 37 LEU 0.320 0.032 1 0 "[ . 1 . 2]"
1 38 ILE 4.707 0.137 4 0 "[ . 1 . 2]"
1 39 CYS 2.724 0.137 4 0 "[ . 1 . 2]"
1 40 GLN 0.247 0.036 3 0 "[ . 1 . 2]"
1 41 PHE 5.291 0.238 19 0 "[ . 1 . 2]"
1 42 LEU 2.349 0.191 3 0 "[ . 1 . 2]"
1 43 GLN 0.189 0.035 15 0 "[ . 1 . 2]"
1 44 GLU 4.385 0.238 19 0 "[ . 1 . 2]"
1 45 GLU 1.564 0.061 17 0 "[ . 1 . 2]"
1 46 ILE 3.251 0.133 1 0 "[ . 1 . 2]"
1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 4.244 0.152 14 0 "[ . 1 . 2]"
1 49 ASN 1.569 0.130 18 0 "[ . 1 . 2]"
1 50 GLU 0.053 0.018 17 0 "[ . 1 . 2]"
1 51 LYS 1.245 0.080 20 0 "[ . 1 . 2]"
1 52 ASP 1.988 0.080 20 0 "[ . 1 . 2]"
1 53 ILE 3.493 0.136 15 0 "[ . 1 . 2]"
1 54 ARG 3.010 0.135 5 0 "[ . 1 . 2]"
1 55 LYS 1.945 0.113 13 0 "[ . 1 . 2]"
1 56 ILE 2.371 0.113 13 0 "[ . 1 . 2]"
1 57 LEU 0.668 0.053 11 0 "[ . 1 . 2]"
1 58 LEU 0.383 0.047 13 0 "[ . 1 . 2]"
1 59 VAL 2.055 0.112 19 0 "[ . 1 . 2]"
1 60 SER 0.529 0.131 8 0 "[ . 1 . 2]"
1 61 ASP 0.474 0.099 9 0 "[ . 1 . 2]"
1 62 PHE 6.353 0.200 2 0 "[ . 1 . 2]"
1 63 ASN 6.145 0.231 17 0 "[ . 1 . 2]"
1 64 GLY 1.267 0.086 8 0 "[ . 1 . 2]"
1 65 ALA 0.753 0.053 18 0 "[ . 1 . 2]"
1 66 ILE 0.555 0.055 15 0 "[ . 1 . 2]"
1 67 ILE 3.822 0.136 15 0 "[ . 1 . 2]"
1 68 ILE 5.237 0.146 5 0 "[ . 1 . 2]"
1 69 PHE 5.203 0.152 14 0 "[ . 1 . 2]"
1 70 ARG 2.952 0.143 12 0 "[ . 1 . 2]"
1 71 ASP 3.064 0.186 4 0 "[ . 1 . 2]"
1 72 SER 1.115 0.124 4 0 "[ . 1 . 2]"
1 73 LYS 0.253 0.069 9 0 "[ . 1 . 2]"
1 74 PHE 0.223 0.069 9 0 "[ . 1 . 2]"
1 75 ALA 0.226 0.076 9 0 "[ . 1 . 2]"
1 76 ALA 0.459 0.040 1 0 "[ . 1 . 2]"
1 77 LYS 0.533 0.151 6 0 "[ . 1 . 2]"
1 78 MET 1.283 0.151 6 0 "[ . 1 . 2]"
1 79 LEU 1.658 0.080 6 0 "[ . 1 . 2]"
1 80 MET 0.042 0.013 10 0 "[ . 1 . 2]"
1 81 ILE 0.773 0.062 5 0 "[ . 1 . 2]"
1 82 LEU 0.474 0.070 20 0 "[ . 1 . 2]"
1 83 ASN 3.564 0.374 12 0 "[ . 1 . 2]"
1 84 GLY 2.806 0.137 14 0 "[ . 1 . 2]"
1 85 SER 1.451 0.137 14 0 "[ . 1 . 2]"
1 86 GLN 0.592 0.076 12 0 "[ . 1 . 2]"
1 87 PHE 0.224 0.032 10 0 "[ . 1 . 2]"
1 88 GLN 0.056 0.015 1 0 "[ . 1 . 2]"
1 89 GLY 0.014 0.008 4 0 "[ . 1 . 2]"
1 90 LYS 0.082 0.019 9 0 "[ . 1 . 2]"
1 91 VAL 2.649 0.132 9 0 "[ . 1 . 2]"
1 92 ILE 0.641 0.050 1 0 "[ . 1 . 2]"
1 93 ARG 0.572 0.073 11 0 "[ . 1 . 2]"
1 94 SER 7.706 0.374 12 0 "[ . 1 . 2]"
1 95 GLY 2.262 0.226 9 0 "[ . 1 . 2]"
1 96 THR 9.175 0.142 5 0 "[ . 1 . 2]"
1 97 ILE 3.902 0.201 20 0 "[ . 1 . 2]"
1 98 ASN 3.431 0.201 20 0 "[ . 1 . 2]"
1 99 ASP 0.714 0.080 12 0 "[ . 1 . 2]"
1 100 MET 0.211 0.065 20 0 "[ . 1 . 2]"
1 101 LYS 1.761 0.071 14 0 "[ . 1 . 2]"
1 102 ARG 4.926 0.148 8 0 "[ . 1 . 2]"
1 103 TYR 2.981 0.148 8 0 "[ . 1 . 2]"
1 104 TYR 3.446 0.107 18 0 "[ . 1 . 2]"
1 105 ASN 0.601 0.089 10 0 "[ . 1 . 2]"
1 106 ASN 0.281 0.072 10 0 "[ . 1 . 2]"
1 107 GLN 1.916 0.107 18 0 "[ . 1 . 2]"
1 108 GLN 0.205 0.071 9 0 "[ . 1 . 2]"
1 109 ASN 0.060 0.026 9 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 1 101 LYS QG 1 102 ARG H 4.380 . 5.380 4.268 4.149 4.531 . 0 0 "[ . 1 . 2]" 1
2 1 101 LYS HB3 1 102 ARG H 2.870 . 3.870 3.498 3.118 3.720 . 0 0 "[ . 1 . 2]" 1
3 1 101 LYS H 1 101 LYS HB3 2.760 . 3.760 3.517 3.381 3.589 . 0 0 "[ . 1 . 2]" 1
4 1 101 LYS H 1 101 LYS HB2 3.640 . 4.640 2.268 2.074 2.441 . 0 0 "[ . 1 . 2]" 1
5 1 101 LYS H 1 101 LYS QD 3.050 . 4.050 3.674 2.600 4.065 0.015 2 0 "[ . 1 . 2]" 1
6 1 101 LYS HA 1 101 LYS QG 3.340 . 4.340 2.761 2.300 3.039 . 0 0 "[ . 1 . 2]" 1
7 1 101 LYS HA 1 104 TYR QD 4.160 . 5.160 3.439 3.158 3.700 . 0 0 "[ . 1 . 2]" 1
8 1 101 LYS HA 1 101 LYS QD 3.820 . 4.820 2.295 1.861 4.125 . 0 0 "[ . 1 . 2]" 1
9 1 101 LYS QG 1 102 ARG QD 3.620 . 4.620 4.655 4.622 4.688 0.068 10 0 "[ . 1 . 2]" 1
10 1 102 ARG QB 1 103 TYR H 2.770 . 3.770 2.369 2.146 2.468 . 0 0 "[ . 1 . 2]" 1
11 1 102 ARG H 1 102 ARG QB 2.370 . 3.370 2.145 2.078 2.561 . 0 0 "[ . 1 . 2]" 1
12 1 102 ARG QB 1 105 ASN H 4.530 . 5.530 4.673 4.520 4.770 . 0 0 "[ . 1 . 2]" 1
13 1 102 ARG HA 1 105 ASN H 3.820 . 4.820 3.257 3.048 3.380 . 0 0 "[ . 1 . 2]" 1
14 1 102 ARG HG2 1 105 ASN HD21 4.360 . 5.360 5.383 5.359 5.449 0.089 10 0 "[ . 1 . 2]" 1
15 1 102 ARG HA 1 105 ASN HD21 4.520 . 5.520 3.362 2.380 4.150 . 0 0 "[ . 1 . 2]" 1
16 1 102 ARG HA 1 105 ASN QB 3.120 . 4.120 2.827 2.515 4.135 0.015 3 0 "[ . 1 . 2]" 1
17 1 102 ARG HA 1 102 ARG QD 4.090 . 5.090 2.658 2.258 3.442 . 0 0 "[ . 1 . 2]" 1
18 1 102 ARG QB 1 103 TYR HB3 4.080 . 5.080 5.194 5.172 5.228 0.148 8 0 "[ . 1 . 2]" 1
19 1 102 ARG HA 1 102 ARG HG3 3.700 . 4.700 2.426 2.029 3.747 . 0 0 "[ . 1 . 2]" 1
20 1 103 TYR H 1 104 TYR H 3.310 . 4.310 2.640 2.562 2.746 . 0 0 "[ . 1 . 2]" 1
21 1 103 TYR H 1 103 TYR QD 3.600 . 4.600 2.981 2.440 3.485 . 0 0 "[ . 1 . 2]" 1
22 1 103 TYR H 1 103 TYR QE 4.280 . 5.280 4.580 4.231 5.249 . 0 0 "[ . 1 . 2]" 1
23 1 103 TYR H 1 103 TYR HB3 2.780 . 3.780 3.508 3.309 3.576 . 0 0 "[ . 1 . 2]" 1
24 1 103 TYR H 1 103 TYR HB2 3.140 . 4.140 2.362 1.996 2.577 . 0 0 "[ . 1 . 2]" 1
25 1 103 TYR H 1 104 TYR HB2 4.380 . 5.380 5.049 4.806 5.237 . 0 0 "[ . 1 . 2]" 1
26 1 103 TYR HB2 1 104 TYR H 3.300 . 4.300 2.618 2.312 2.927 . 0 0 "[ . 1 . 2]" 1
27 1 103 TYR HA 1 106 ASN H 3.580 . 4.580 3.609 3.434 3.853 . 0 0 "[ . 1 . 2]" 1
28 1 103 TYR HA 1 106 ASN HD21 3.990 . 4.990 3.874 2.303 5.032 0.042 14 0 "[ . 1 . 2]" 1
29 1 103 TYR HA 1 103 TYR QD 3.550 . 4.550 1.928 1.798 2.088 0.002 13 0 "[ . 1 . 2]" 1
30 1 103 TYR HA 1 103 TYR QE 4.860 . 5.860 4.226 4.095 4.337 . 0 0 "[ . 1 . 2]" 1
31 1 103 TYR HA 1 106 ASN QB 3.800 . 4.800 2.716 2.218 4.117 . 0 0 "[ . 1 . 2]" 1
32 1 103 TYR QD 1 107 GLN HG2 5.000 . 6.000 5.312 4.058 5.599 . 0 0 "[ . 1 . 2]" 1
33 1 103 TYR HA 1 107 GLN HG2 3.290 . 4.290 4.306 4.219 4.387 0.097 18 0 "[ . 1 . 2]" 1
34 1 104 TYR H 1 104 TYR QD 3.660 . 4.660 4.141 4.077 4.171 . 0 0 "[ . 1 . 2]" 1
35 1 104 TYR H 1 104 TYR HB3 2.980 . 3.980 2.522 2.414 2.583 . 0 0 "[ . 1 . 2]" 1
36 1 104 TYR H 1 104 TYR HB2 3.120 . 4.120 2.569 2.440 2.675 . 0 0 "[ . 1 . 2]" 1
37 1 104 TYR H 1 105 ASN H 3.140 . 4.140 2.767 2.648 2.927 . 0 0 "[ . 1 . 2]" 1
38 1 104 TYR QD 1 105 ASN H 3.800 . 4.800 3.910 3.722 4.048 . 0 0 "[ . 1 . 2]" 1
39 1 104 TYR HB2 1 105 ASN H 3.270 . 4.270 3.862 3.745 3.997 . 0 0 "[ . 1 . 2]" 1
40 1 104 TYR HB3 1 105 ASN H 3.400 . 4.400 2.507 2.376 2.691 . 0 0 "[ . 1 . 2]" 1
41 1 104 TYR HA 1 104 TYR QD 3.360 . 4.360 2.000 1.856 2.165 . 0 0 "[ . 1 . 2]" 1
42 1 104 TYR HA 1 107 GLN HG2 3.800 . 4.800 2.730 2.297 3.422 . 0 0 "[ . 1 . 2]" 1
43 1 104 TYR HA 1 107 GLN HB2 3.660 . 4.660 2.174 1.940 2.481 . 0 0 "[ . 1 . 2]" 1
44 1 104 TYR QD 1 105 ASN HA 3.890 . 4.890 4.324 4.034 4.483 . 0 0 "[ . 1 . 2]" 1
45 1 104 TYR QE 1 105 ASN HA 5.000 . 6.000 5.135 4.767 5.429 . 0 0 "[ . 1 . 2]" 1
46 1 104 TYR HA 1 107 GLN HG3 4.370 . 5.370 2.630 1.791 2.991 0.009 18 0 "[ . 1 . 2]" 1
47 1 105 ASN H 1 106 ASN H 2.980 . 3.980 2.865 2.777 2.980 . 0 0 "[ . 1 . 2]" 1
48 1 105 ASN H 1 105 ASN QB 2.600 . 3.600 2.229 2.069 3.004 . 0 0 "[ . 1 . 2]" 1
49 1 105 ASN HD22 1 106 ASN QB 3.310 . 4.310 3.837 3.219 4.382 0.072 10 0 "[ . 1 . 2]" 1
50 1 105 ASN H 1 105 ASN HD21 4.420 . 5.420 3.819 3.225 4.357 . 0 0 "[ . 1 . 2]" 1
51 1 105 ASN QB 1 105 ASN HD21 2.900 . 3.900 2.134 2.077 2.293 . 0 0 "[ . 1 . 2]" 1
52 1 105 ASN QB 1 105 ASN HD22 3.420 . 4.420 3.254 3.212 3.322 . 0 0 "[ . 1 . 2]" 1
53 1 106 ASN QB 1 107 GLN H 3.270 . 4.270 3.003 2.725 3.366 . 0 0 "[ . 1 . 2]" 1
54 1 106 ASN H 1 107 GLN H 2.920 . 3.920 2.773 2.664 2.861 . 0 0 "[ . 1 . 2]" 1
55 1 106 ASN H 1 106 ASN QB 2.470 . 3.470 2.192 2.005 3.008 . 0 0 "[ . 1 . 2]" 1
56 1 106 ASN QB 1 106 ASN HD21 3.060 . 4.060 2.145 2.080 2.220 . 0 0 "[ . 1 . 2]" 1
57 1 106 ASN QB 1 106 ASN HD22 3.400 . 4.400 3.262 3.214 3.296 . 0 0 "[ . 1 . 2]" 1
58 1 106 ASN QB 1 107 GLN HG3 4.940 . 5.940 5.393 4.185 5.939 . 0 0 "[ . 1 . 2]" 1
59 1 106 ASN HD22 1 107 GLN HG2 4.420 . 5.420 4.758 2.942 5.437 0.017 14 0 "[ . 1 . 2]" 1
60 1 107 GLN H 1 107 GLN HB2 2.870 . 3.870 2.395 2.240 2.711 . 0 0 "[ . 1 . 2]" 1
61 1 107 GLN H 1 107 GLN HG2 3.070 . 4.070 2.557 2.280 2.928 . 0 0 "[ . 1 . 2]" 1
62 1 107 GLN HB2 1 108 GLN H 2.720 . 3.720 2.396 2.213 2.545 . 0 0 "[ . 1 . 2]" 1
63 1 107 GLN HB2 1 108 GLN HA 3.630 . 4.630 4.374 4.152 4.594 . 0 0 "[ . 1 . 2]" 1
64 1 108 GLN H 1 108 GLN HG3 3.000 . 4.000 3.746 2.419 4.071 0.071 9 0 "[ . 1 . 2]" 1
65 1 108 GLN H 1 108 GLN QB 2.860 . 3.860 2.273 2.080 2.628 . 0 0 "[ . 1 . 2]" 1
66 1 108 GLN HA 1 108 GLN QG 3.150 . 4.150 2.785 2.238 3.352 . 0 0 "[ . 1 . 2]" 1
67 1 108 GLN HA 1 109 ASN HD21 4.690 . 5.690 5.325 4.695 5.716 0.026 9 0 "[ . 1 . 2]" 1
68 1 108 GLN HA 1 109 ASN HA 4.850 . 5.850 4.470 4.368 4.652 . 0 0 "[ . 1 . 2]" 1
69 1 109 ASN H 1 109 ASN QB 2.960 . 3.960 2.533 2.303 3.024 . 0 0 "[ . 1 . 2]" 1
70 1 109 ASN QB 1 109 ASN HD21 2.790 . 3.790 2.355 2.145 2.772 . 0 0 "[ . 1 . 2]" 1
71 1 109 ASN QB 1 109 ASN HD22 3.210 . 4.210 3.337 3.264 3.472 . 0 0 "[ . 1 . 2]" 1
72 1 109 ASN HA 1 109 ASN QB 2.440 . 3.440 2.416 2.176 2.531 . 0 0 "[ . 1 . 2]" 1
73 1 88 GLN HB3 1 89 GLY H 4.080 . 5.080 4.444 4.386 4.658 . 0 0 "[ . 1 . 2]" 1
74 1 88 GLN H 1 89 GLY H 3.260 . 4.260 2.639 2.522 3.052 . 0 0 "[ . 1 . 2]" 1
75 1 62 PHE H 1 64 GLY H 3.590 . 4.590 4.114 3.110 4.675 0.085 16 0 "[ . 1 . 2]" 1
76 1 63 ASN HB3 1 64 GLY H 4.110 . 5.110 4.050 3.556 4.291 . 0 0 "[ . 1 . 2]" 1
77 1 59 VAL HB 1 64 GLY H 3.500 . 4.500 2.765 1.829 4.557 0.057 8 0 "[ . 1 . 2]" 1
78 1 59 VAL MG1 1 64 GLY H 4.400 . 5.400 3.305 1.764 4.432 0.036 8 0 "[ . 1 . 2]" 1
79 1 29 LEU MD1 1 64 GLY H 4.400 . 5.400 3.071 1.781 5.350 0.019 14 0 "[ . 1 . 2]" 1
80 1 24 ILE H 1 67 ILE H 3.980 . 4.980 2.870 2.727 3.133 . 0 0 "[ . 1 . 2]" 1
81 1 25 CYS HA 1 67 ILE H 3.640 . 4.640 3.445 3.125 3.741 . 0 0 "[ . 1 . 2]" 1
82 1 66 ILE HA 1 67 ILE H 2.910 . 3.910 2.150 2.100 2.226 . 0 0 "[ . 1 . 2]" 1
83 1 67 ILE H 1 67 ILE HB 3.360 . 4.360 2.687 2.486 3.434 . 0 0 "[ . 1 . 2]" 1
84 1 66 ILE QG 1 67 ILE H 3.260 . 4.260 2.949 2.470 3.838 . 0 0 "[ . 1 . 2]" 1
85 1 67 ILE H 1 67 ILE QG 4.690 . 5.690 3.406 3.024 3.611 . 0 0 "[ . 1 . 2]" 1
86 1 56 ILE HA 1 57 LEU H 2.680 . 3.680 2.200 2.149 2.262 . 0 0 "[ . 1 . 2]" 1
87 1 57 LEU H 1 67 ILE HA 3.910 . 4.910 3.900 3.635 4.273 . 0 0 "[ . 1 . 2]" 1
88 1 56 ILE QG 1 57 LEU H 3.210 . 4.210 2.753 2.285 4.220 0.010 20 0 "[ . 1 . 2]" 1
89 1 57 LEU H 1 57 LEU HB2 3.590 . 4.590 2.862 2.544 3.076 . 0 0 "[ . 1 . 2]" 1
90 1 57 LEU H 1 57 LEU HG 2.930 . 3.930 3.279 1.982 3.877 . 0 0 "[ . 1 . 2]" 1
91 1 87 PHE QD 1 88 GLN H 4.160 . 5.160 3.187 2.196 3.839 . 0 0 "[ . 1 . 2]" 1
92 1 87 PHE HA 1 88 GLN H 2.540 . 3.540 2.188 2.108 2.243 . 0 0 "[ . 1 . 2]" 1
93 1 88 GLN H 1 88 GLN HG3 3.690 . 4.690 3.417 2.809 4.582 . 0 0 "[ . 1 . 2]" 1
94 1 88 GLN H 1 88 GLN HG2 3.980 . 4.980 3.347 2.764 3.936 . 0 0 "[ . 1 . 2]" 1
95 1 69 PHE H 1 69 PHE QD 3.620 . 4.620 1.850 1.750 2.074 0.050 10 0 "[ . 1 . 2]" 1
96 1 23 LEU HA 1 69 PHE H 3.490 . 4.490 3.357 3.058 3.643 . 0 0 "[ . 1 . 2]" 1
97 1 68 ILE HA 1 69 PHE H 2.660 . 3.660 2.444 2.348 2.520 . 0 0 "[ . 1 . 2]" 1
98 1 69 PHE H 1 69 PHE HB2 3.270 . 4.270 2.698 2.423 2.959 . 0 0 "[ . 1 . 2]" 1
99 1 68 ILE QG 1 69 PHE H 3.590 . 4.590 4.555 4.372 4.630 0.040 8 0 "[ . 1 . 2]" 1
100 1 72 SER H 1 73 LYS H 3.540 . 4.540 2.933 2.829 3.038 . 0 0 "[ . 1 . 2]" 1
101 1 72 SER HB3 1 73 LYS H 3.850 . 4.850 3.628 2.365 4.159 . 0 0 "[ . 1 . 2]" 1
102 1 73 LYS H 1 73 LYS QE 5.000 . 6.000 3.275 1.925 4.263 . 0 0 "[ . 1 . 2]" 1
103 1 71 ASP QB 1 73 LYS H 3.820 . 4.820 3.512 2.848 3.991 . 0 0 "[ . 1 . 2]" 1
104 1 73 LYS H 1 73 LYS HB3 2.660 . 3.660 3.375 2.890 3.507 . 0 0 "[ . 1 . 2]" 1
105 1 73 LYS H 1 73 LYS HB2 2.960 . 3.960 2.193 1.936 2.562 . 0 0 "[ . 1 . 2]" 1
106 1 54 ARG H 1 69 PHE HA 3.330 . 4.330 3.226 2.827 3.916 . 0 0 "[ . 1 . 2]" 1
107 1 53 ILE HA 1 54 ARG H 2.770 . 3.770 2.179 2.107 2.236 . 0 0 "[ . 1 . 2]" 1
108 1 54 ARG H 1 54 ARG HB3 3.240 . 4.240 3.441 3.261 3.617 . 0 0 "[ . 1 . 2]" 1
109 1 54 ARG H 1 54 ARG HB2 3.190 . 4.190 2.194 2.112 2.558 . 0 0 "[ . 1 . 2]" 1
110 1 53 ILE QG 1 54 ARG H 3.790 . 4.790 3.282 2.607 4.546 . 0 0 "[ . 1 . 2]" 1
111 1 50 GLU H 1 51 LYS H 3.370 . 4.370 2.618 2.355 2.994 . 0 0 "[ . 1 . 2]" 1
112 1 50 GLU H 1 50 GLU HB3 3.310 . 4.310 2.677 2.388 2.819 . 0 0 "[ . 1 . 2]" 1
113 1 49 ASN HA 1 50 GLU H 2.630 . 3.630 2.736 2.578 2.850 . 0 0 "[ . 1 . 2]" 1
114 1 49 ASN QB 1 50 GLU H 3.180 . 4.180 1.929 1.785 2.430 0.015 7 0 "[ . 1 . 2]" 1
115 1 50 GLU H 1 50 GLU QG 3.340 . 4.340 2.238 1.800 3.946 . 0 0 "[ . 1 . 2]" 1
116 1 50 GLU H 1 50 GLU HB2 3.300 . 4.300 3.545 2.601 3.646 . 0 0 "[ . 1 . 2]" 1
117 1 15 ARG H 1 16 ASN HA 3.940 . 4.940 4.736 4.607 4.830 . 0 0 "[ . 1 . 2]" 1
118 1 14 SER HA 1 15 ARG H 2.930 . 3.930 2.180 2.108 2.234 . 0 0 "[ . 1 . 2]" 1
119 1 15 ARG H 1 15 ARG HB2 3.420 . 4.420 2.651 2.285 3.680 . 0 0 "[ . 1 . 2]" 1
120 1 3 LEU H 1 3 LEU MD1 4.190 . 5.190 3.830 2.034 4.602 . 0 0 "[ . 1 . 2]" 1
121 1 2 PHE HA 1 3 LEU H 2.660 . 3.660 2.947 2.114 3.542 . 0 0 "[ . 1 . 2]" 1
122 1 2 PHE QB 1 3 LEU H 3.780 . 4.780 2.901 1.763 4.013 0.037 1 0 "[ . 1 . 2]" 1
123 1 3 LEU H 1 3 LEU HB3 2.670 . 3.670 2.987 2.393 3.667 . 0 0 "[ . 1 . 2]" 1
124 1 91 VAL H 1 92 ILE H 4.290 . 5.290 4.389 4.297 4.499 . 0 0 "[ . 1 . 2]" 1
125 1 85 SER H 1 92 ILE H 4.390 . 5.390 3.402 2.763 3.632 . 0 0 "[ . 1 . 2]" 1
126 1 86 GLN HA 1 92 ILE H 3.570 . 4.570 3.120 2.557 3.721 . 0 0 "[ . 1 . 2]" 1
127 1 91 VAL HA 1 92 ILE H 2.350 . 3.350 2.144 2.103 2.199 . 0 0 "[ . 1 . 2]" 1
128 1 91 VAL HB 1 92 ILE H 3.740 . 4.740 4.238 4.101 4.323 . 0 0 "[ . 1 . 2]" 1
129 1 92 ILE H 1 92 ILE HG13 3.330 . 4.330 3.699 2.042 4.109 . 0 0 "[ . 1 . 2]" 1
130 1 92 ILE H 1 92 ILE HG12 2.820 . 3.820 2.477 1.811 3.390 . 0 0 "[ . 1 . 2]" 1
131 1 92 ILE H 1 92 ILE QG 3.020 . 4.020 2.371 1.804 3.215 . 0 0 "[ . 1 . 2]" 1
132 1 67 ILE QG 1 68 ILE H 3.520 . 4.520 3.971 3.795 4.260 . 0 0 "[ . 1 . 2]" 1
133 1 67 ILE HA 1 68 ILE H 2.540 . 3.540 1.983 1.913 2.051 . 0 0 "[ . 1 . 2]" 1
134 1 68 ILE H 1 68 ILE HB 2.790 . 3.790 2.507 2.428 2.641 . 0 0 "[ . 1 . 2]" 1
135 1 68 ILE H 1 68 ILE MD 3.550 . 4.550 3.476 3.010 3.754 . 0 0 "[ . 1 . 2]" 1
136 1 49 ASN H 1 52 ASP HB2 4.490 . 5.490 2.243 1.856 2.895 . 0 0 "[ . 1 . 2]" 1
137 1 86 GLN HA 1 87 PHE H 2.530 . 3.530 2.151 2.111 2.227 . 0 0 "[ . 1 . 2]" 1
138 1 87 PHE H 1 91 VAL HA 3.560 . 4.560 3.398 3.150 3.665 . 0 0 "[ . 1 . 2]" 1
139 1 87 PHE H 1 87 PHE HB3 3.280 . 4.280 3.180 2.775 3.640 . 0 0 "[ . 1 . 2]" 1
140 1 87 PHE H 1 87 PHE HB2 3.670 . 4.670 3.005 2.630 3.458 . 0 0 "[ . 1 . 2]" 1
141 1 86 GLN HB2 1 87 PHE H 3.630 . 4.630 4.439 4.270 4.560 . 0 0 "[ . 1 . 2]" 1
142 1 87 PHE H 1 91 VAL MG1 4.380 . 5.380 5.179 4.891 5.389 0.009 8 0 "[ . 1 . 2]" 1
143 1 87 PHE H 1 92 ILE QG 3.990 . 4.990 4.639 3.768 5.000 0.010 4 0 "[ . 1 . 2]" 1
144 1 59 VAL MG1 1 60 SER H 4.030 . 5.030 3.688 3.376 3.951 . 0 0 "[ . 1 . 2]" 1
145 1 60 SER H 1 61 ASP H 3.820 . 4.820 2.834 2.305 3.197 . 0 0 "[ . 1 . 2]" 1
146 1 59 VAL HA 1 60 SER H 2.540 . 3.540 2.407 2.238 2.586 . 0 0 "[ . 1 . 2]" 1
147 1 60 SER H 1 61 ASP QB 4.090 . 5.090 4.245 4.013 4.571 . 0 0 "[ . 1 . 2]" 1
148 1 48 ILE HA 1 49 ASN H 2.600 . 3.600 2.071 1.978 2.186 . 0 0 "[ . 1 . 2]" 1
149 1 49 ASN H 1 49 ASN QB 2.650 . 3.650 3.014 2.527 3.273 . 0 0 "[ . 1 . 2]" 1
150 1 48 ILE HG13 1 49 ASN H 4.450 . 5.450 4.293 3.336 5.467 0.017 16 0 "[ . 1 . 2]" 1
151 1 48 ILE QG 1 49 ASN H 3.300 . 4.300 3.652 3.273 4.260 . 0 0 "[ . 1 . 2]" 1
152 1 48 ILE HB 1 49 ASN H 3.150 . 4.150 4.132 3.591 4.280 0.130 18 0 "[ . 1 . 2]" 1
153 1 6 ASN QB 1 7 GLU H 3.250 . 4.250 2.561 2.350 2.909 . 0 0 "[ . 1 . 2]" 1
154 1 7 GLU H 1 7 GLU QG 3.390 . 4.390 3.667 2.569 4.012 . 0 0 "[ . 1 . 2]" 1
155 1 36 SER H 1 37 LEU H 3.740 . 4.740 2.653 2.467 2.739 . 0 0 "[ . 1 . 2]" 1
156 1 34 SER H 1 37 LEU H 3.810 . 4.810 4.329 4.013 4.596 . 0 0 "[ . 1 . 2]" 1
157 1 34 SER HB2 1 37 LEU H 3.140 . 4.140 2.859 2.503 4.040 . 0 0 "[ . 1 . 2]" 1
158 1 37 LEU H 1 37 LEU HB3 2.560 . 3.560 3.526 3.362 3.570 0.010 8 0 "[ . 1 . 2]" 1
159 1 37 LEU H 1 37 LEU HG 2.680 . 3.680 2.759 2.339 3.704 0.024 4 0 "[ . 1 . 2]" 1
160 1 37 LEU H 1 37 LEU MD1 3.490 . 4.490 3.845 3.480 4.045 . 0 0 "[ . 1 . 2]" 1
161 1 59 VAL H 1 66 ILE H 3.640 . 4.640 3.821 3.550 4.210 . 0 0 "[ . 1 . 2]" 1
162 1 59 VAL H 1 65 ALA HA 2.860 . 3.860 2.601 2.088 3.442 . 0 0 "[ . 1 . 2]" 1
163 1 58 LEU HA 1 59 VAL H 2.320 . 3.320 2.148 2.055 2.380 . 0 0 "[ . 1 . 2]" 1
164 1 59 VAL H 1 59 VAL HB 3.240 . 4.240 2.767 2.217 3.287 . 0 0 "[ . 1 . 2]" 1
165 1 58 LEU HB3 1 59 VAL H 3.480 . 4.480 3.439 2.907 4.302 . 0 0 "[ . 1 . 2]" 1
166 1 58 LEU HB2 1 59 VAL H 3.280 . 4.280 4.215 3.917 4.327 0.047 13 0 "[ . 1 . 2]" 1
167 1 59 VAL H 1 59 VAL MG1 3.350 . 4.350 3.589 2.196 3.849 . 0 0 "[ . 1 . 2]" 1
168 1 58 LEU MD1 1 59 VAL H 3.620 . 4.620 3.083 2.149 4.627 0.007 17 0 "[ . 1 . 2]" 1
169 1 57 LEU HA 1 58 LEU H 2.660 . 3.660 2.316 2.202 2.384 . 0 0 "[ . 1 . 2]" 1
170 1 58 LEU H 1 58 LEU HB3 2.650 . 3.650 3.224 2.261 3.683 0.033 8 0 "[ . 1 . 2]" 1
171 1 58 LEU H 1 58 LEU HB2 3.320 . 4.320 2.416 2.183 2.962 . 0 0 "[ . 1 . 2]" 1
172 1 57 LEU HB2 1 58 LEU H 3.490 . 4.490 3.749 3.387 4.076 . 0 0 "[ . 1 . 2]" 1
173 1 57 LEU QD 1 58 LEU H 3.880 . 4.880 4.091 3.841 4.331 . 0 0 "[ . 1 . 2]" 1
174 1 58 LEU H 1 58 LEU MD1 3.830 . 4.830 3.927 2.935 4.447 . 0 0 "[ . 1 . 2]" 1
175 1 4 GLU H 1 5 ARG H 3.470 . 4.470 3.013 2.520 3.315 . 0 0 "[ . 1 . 2]" 1
176 1 3 LEU HA 1 4 GLU H 2.630 . 3.630 2.491 2.125 3.560 . 0 0 "[ . 1 . 2]" 1
177 1 4 GLU H 1 4 GLU QG 3.630 . 4.630 2.568 1.862 3.438 . 0 0 "[ . 1 . 2]" 1
178 1 4 GLU H 1 4 GLU QB 2.720 . 3.720 2.418 2.086 2.726 . 0 0 "[ . 1 . 2]" 1
179 1 3 LEU HB2 1 4 GLU H 3.790 . 4.790 4.142 2.232 4.513 . 0 0 "[ . 1 . 2]" 1
180 1 74 PHE H 1 74 PHE QD 4.210 . 5.210 3.893 2.948 4.229 . 0 0 "[ . 1 . 2]" 1
181 1 74 PHE H 1 74 PHE HB3 2.920 . 3.920 2.756 2.308 3.622 . 0 0 "[ . 1 . 2]" 1
182 1 74 PHE H 1 74 PHE HB2 2.880 . 3.880 2.676 2.529 2.843 . 0 0 "[ . 1 . 2]" 1
183 1 73 LYS HB3 1 74 PHE H 3.290 . 4.290 3.298 2.519 3.786 . 0 0 "[ . 1 . 2]" 1
184 1 73 LYS HB2 1 74 PHE H 3.410 . 4.410 2.821 2.542 3.411 . 0 0 "[ . 1 . 2]" 1
185 1 97 ILE HA 1 100 MET H 3.680 . 4.680 3.524 3.181 4.058 . 0 0 "[ . 1 . 2]" 1
186 1 99 ASP HB3 1 100 MET H 3.330 . 4.330 3.321 3.024 3.949 . 0 0 "[ . 1 . 2]" 1
187 1 99 ASP HB2 1 100 MET H 3.640 . 4.640 3.515 2.618 3.921 . 0 0 "[ . 1 . 2]" 1
188 1 100 MET H 1 100 MET QB 2.930 . 3.930 2.417 2.171 2.544 . 0 0 "[ . 1 . 2]" 1
189 1 97 ILE QG 1 100 MET H 4.540 . 5.540 5.259 4.761 5.569 0.029 2 0 "[ . 1 . 2]" 1
190 1 3 LEU MD1 1 4 GLU H 4.400 . 5.400 3.103 2.166 4.527 . 0 0 "[ . 1 . 2]" 1
191 1 56 ILE H 1 57 LEU H 3.930 . 4.930 4.207 3.982 4.344 . 0 0 "[ . 1 . 2]" 1
192 1 55 LYS HA 1 56 ILE H 2.270 . 3.270 2.221 2.121 2.347 . 0 0 "[ . 1 . 2]" 1
193 1 55 LYS HG3 1 56 ILE H 4.410 . 5.410 3.672 2.173 4.753 . 0 0 "[ . 1 . 2]" 1
194 1 56 ILE H 1 56 ILE HB 2.590 . 3.590 3.422 2.663 3.571 . 0 0 "[ . 1 . 2]" 1
195 1 66 ILE H 1 67 ILE MD 3.660 . 4.660 4.050 3.317 4.589 . 0 0 "[ . 1 . 2]" 1
196 1 96 THR HB 1 97 ILE H 2.910 . 3.910 1.767 1.700 1.790 0.100 12 0 "[ . 1 . 2]" 1
197 1 97 ILE H 1 98 ASN HB3 4.500 . 5.500 4.525 4.404 4.750 . 0 0 "[ . 1 . 2]" 1
198 1 97 ILE H 1 97 ILE HB 2.780 . 3.780 3.369 3.023 3.640 . 0 0 "[ . 1 . 2]" 1
199 1 97 ILE H 1 97 ILE QG 3.330 . 4.330 1.854 1.746 2.182 0.054 2 0 "[ . 1 . 2]" 1
200 1 31 ASP H 1 32 LYS H 2.970 . 3.970 2.493 2.382 2.773 . 0 0 "[ . 1 . 2]" 1
201 1 30 SER HA 1 31 ASP H 2.180 . 3.180 2.634 2.535 2.720 . 0 0 "[ . 1 . 2]" 1
202 1 30 SER HB3 1 31 ASP H 2.810 . 3.810 2.177 1.997 2.395 . 0 0 "[ . 1 . 2]" 1
203 1 30 SER HB2 1 31 ASP H 3.330 . 4.330 3.288 2.872 3.751 . 0 0 "[ . 1 . 2]" 1
204 1 31 ASP H 1 31 ASP HB3 3.180 . 4.180 2.719 2.381 3.500 . 0 0 "[ . 1 . 2]" 1
205 1 31 ASP H 1 31 ASP HB2 3.020 . 4.020 2.708 2.198 3.673 . 0 0 "[ . 1 . 2]" 1
206 1 90 LYS H 1 91 VAL H 4.050 . 5.050 4.427 4.306 4.507 . 0 0 "[ . 1 . 2]" 1
207 1 90 LYS HA 1 91 VAL H 2.500 . 3.500 2.447 2.303 2.565 . 0 0 "[ . 1 . 2]" 1
208 1 91 VAL H 1 91 VAL HB 2.220 . 3.220 2.489 2.426 2.626 . 0 0 "[ . 1 . 2]" 1
209 1 90 LYS HB2 1 91 VAL H 3.180 . 4.180 3.815 2.898 4.197 0.017 10 0 "[ . 1 . 2]" 1
210 1 90 LYS QG 1 91 VAL H 3.990 . 4.990 3.242 2.006 4.381 . 0 0 "[ . 1 . 2]" 1
211 1 91 VAL H 1 91 VAL MG1 2.730 . 3.730 3.774 3.751 3.808 0.078 10 0 "[ . 1 . 2]" 1
212 1 96 THR H 1 99 ASP H 3.220 . 4.220 3.121 2.941 3.303 . 0 0 "[ . 1 . 2]" 1
213 1 99 ASP H 1 99 ASP HB3 3.210 . 4.210 3.120 2.819 3.551 . 0 0 "[ . 1 . 2]" 1
214 1 99 ASP H 1 99 ASP HB2 3.390 . 4.390 2.221 2.031 2.531 . 0 0 "[ . 1 . 2]" 1
215 1 98 ASN HB3 1 99 ASP H 2.960 . 3.960 2.760 2.631 2.915 . 0 0 "[ . 1 . 2]" 1
216 1 40 GLN QE 1 41 PHE H 4.380 . 5.380 4.814 4.689 4.985 . 0 0 "[ . 1 . 2]" 1
217 1 41 PHE H 1 41 PHE HB3 2.630 . 3.630 2.278 2.147 2.608 . 0 0 "[ . 1 . 2]" 1
218 1 41 PHE H 1 41 PHE HB2 2.700 . 3.700 2.713 2.376 2.869 . 0 0 "[ . 1 . 2]" 1
219 1 40 GLN QB 1 41 PHE H 2.850 . 3.850 2.115 2.023 2.298 . 0 0 "[ . 1 . 2]" 1
220 1 65 ALA HA 1 66 ILE H 2.720 . 3.720 2.162 2.092 2.369 . 0 0 "[ . 1 . 2]" 1
221 1 66 ILE H 1 66 ILE HB 2.880 . 3.880 2.678 2.202 3.184 . 0 0 "[ . 1 . 2]" 1
222 1 65 ALA MB 1 66 ILE H 3.460 . 4.460 3.263 2.632 3.477 . 0 0 "[ . 1 . 2]" 1
223 1 66 ILE H 1 66 ILE QG 3.440 . 4.440 3.809 2.836 4.100 . 0 0 "[ . 1 . 2]" 1
224 1 96 THR HG1 1 97 ILE H 3.870 . 4.870 2.445 2.020 2.961 . 0 0 "[ . 1 . 2]" 1
225 1 76 ALA HA 1 79 LEU H 3.460 . 4.460 3.300 3.153 3.440 . 0 0 "[ . 1 . 2]" 1
226 1 79 LEU H 1 79 LEU HB2 2.340 . 3.340 2.368 2.220 2.672 . 0 0 "[ . 1 . 2]" 1
227 1 76 ALA MB 1 79 LEU H 4.310 . 5.310 4.494 4.303 4.671 . 0 0 "[ . 1 . 2]" 1
228 1 11 LEU H 1 13 ALA H 4.350 . 5.350 3.969 3.583 4.642 . 0 0 "[ . 1 . 2]" 1
229 1 8 VAL HA 1 11 LEU H 3.580 . 4.580 3.481 3.292 3.938 . 0 0 "[ . 1 . 2]" 1
230 1 10 ARG HB3 1 11 LEU H 3.090 . 4.090 3.056 2.052 3.972 . 0 0 "[ . 1 . 2]" 1
231 1 11 LEU H 1 11 LEU HB3 2.570 . 3.570 3.450 3.322 3.527 . 0 0 "[ . 1 . 2]" 1
232 1 11 LEU H 1 11 LEU HG 2.890 . 3.890 3.209 2.991 3.891 0.001 5 0 "[ . 1 . 2]" 1
233 1 11 LEU H 1 11 LEU HB2 3.110 . 4.110 2.163 2.069 2.246 . 0 0 "[ . 1 . 2]" 1
234 1 17 SER QB 1 18 LYS H 4.020 . 5.020 3.434 3.312 3.716 . 0 0 "[ . 1 . 2]" 1
235 1 18 LYS H 1 18 LYS HB2 3.110 . 4.110 2.599 2.407 2.780 . 0 0 "[ . 1 . 2]" 1
236 1 18 LYS H 1 19 GLU H 3.720 . 4.720 2.292 2.164 2.518 . 0 0 "[ . 1 . 2]" 1
237 1 16 ASN HA 1 18 LYS H 3.580 . 4.580 3.301 3.030 3.454 . 0 0 "[ . 1 . 2]" 1
238 1 18 LYS H 1 18 LYS HG3 4.190 . 5.190 4.496 4.382 4.570 . 0 0 "[ . 1 . 2]" 1
239 1 14 SER HA 1 16 ASN H 3.890 . 4.890 3.681 3.528 3.907 . 0 0 "[ . 1 . 2]" 1
240 1 16 ASN H 1 16 ASN HB3 3.100 . 4.100 2.803 2.542 3.598 . 0 0 "[ . 1 . 2]" 1
241 1 16 ASN H 1 16 ASN HB2 3.150 . 4.150 2.462 2.157 2.769 . 0 0 "[ . 1 . 2]" 1
242 1 15 ARG HB2 1 16 ASN H 4.090 . 5.090 4.034 3.609 4.514 . 0 0 "[ . 1 . 2]" 1
243 1 11 LEU H 1 11 LEU MD1 3.180 . 4.180 3.682 2.063 3.910 . 0 0 "[ . 1 . 2]" 1
244 1 51 LYS HA 1 53 ILE H 3.800 . 4.800 4.249 3.728 4.829 0.029 13 0 "[ . 1 . 2]" 1
245 1 53 ILE H 1 53 ILE HB 2.800 . 3.800 2.467 2.198 2.718 . 0 0 "[ . 1 . 2]" 1
246 1 53 ILE H 1 53 ILE MD 3.980 . 4.980 4.108 3.016 4.643 . 0 0 "[ . 1 . 2]" 1
247 1 53 ILE H 1 53 ILE QG 3.710 . 4.710 3.723 2.787 4.212 . 0 0 "[ . 1 . 2]" 1
248 1 65 ALA H 1 66 ILE H 4.040 . 5.040 4.052 3.851 4.334 . 0 0 "[ . 1 . 2]" 1
249 1 64 GLY H 1 65 ALA H 3.930 . 4.930 4.320 4.144 4.488 . 0 0 "[ . 1 . 2]" 1
250 1 64 GLY HA2 1 65 ALA H 2.720 . 3.720 2.557 2.167 2.838 . 0 0 "[ . 1 . 2]" 1
251 1 64 GLY HA3 1 65 ALA H 2.790 . 3.790 2.520 2.261 3.132 . 0 0 "[ . 1 . 2]" 1
252 1 65 ALA H 1 65 ALA MB 3.230 . 4.230 2.616 2.329 2.703 . 0 0 "[ . 1 . 2]" 1
253 1 26 LEU H 1 26 LEU MD1 3.650 . 4.650 3.427 2.691 4.371 . 0 0 "[ . 1 . 2]" 1
254 1 36 SER HA 1 39 CYS H 3.610 . 4.610 3.428 3.291 3.622 . 0 0 "[ . 1 . 2]" 1
255 1 39 CYS H 1 39 CYS HB3 2.790 . 3.790 2.654 2.518 2.808 . 0 0 "[ . 1 . 2]" 1
256 1 39 CYS H 1 39 CYS HB2 2.780 . 3.780 2.209 2.013 2.400 . 0 0 "[ . 1 . 2]" 1
257 1 38 ILE HB 1 39 CYS H 3.090 . 4.090 2.995 2.345 3.631 . 0 0 "[ . 1 . 2]" 1
258 1 39 CYS H 1 56 ILE MD 3.540 . 4.540 4.516 4.318 4.591 0.051 10 0 "[ . 1 . 2]" 1
259 1 15 ARG H 1 16 ASN H 3.770 . 4.770 2.153 2.012 2.370 . 0 0 "[ . 1 . 2]" 1
260 1 29 LEU H 1 29 LEU HB2 3.020 . 4.020 3.596 2.905 3.931 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU H 1 29 LEU MD1 3.770 . 4.770 2.891 1.771 3.965 0.029 3 0 "[ . 1 . 2]" 1
262 1 5 ARG H 1 5 ARG QD 4.380 . 5.380 3.602 2.655 4.453 . 0 0 "[ . 1 . 2]" 1
263 1 4 GLU QB 1 5 ARG H 3.360 . 4.360 2.737 2.162 3.357 . 0 0 "[ . 1 . 2]" 1
264 1 5 ARG H 1 5 ARG QB 2.710 . 3.710 2.392 2.135 2.630 . 0 0 "[ . 1 . 2]" 1
265 1 5 ARG H 1 5 ARG QG 3.770 . 4.770 2.333 1.896 3.099 . 0 0 "[ . 1 . 2]" 1
266 1 23 LEU H 1 24 ILE H 4.310 . 5.310 4.321 4.189 4.395 . 0 0 "[ . 1 . 2]" 1
267 1 22 THR HA 1 23 LEU H 2.900 . 3.900 3.343 2.850 3.698 . 0 0 "[ . 1 . 2]" 1
268 1 23 LEU H 1 23 LEU HG 2.640 . 3.640 2.621 1.802 3.574 . 0 0 "[ . 1 . 2]" 1
269 1 23 LEU H 1 23 LEU MD1 3.080 . 4.080 3.727 3.197 4.086 0.006 19 0 "[ . 1 . 2]" 1
270 1 52 ASP HB3 1 53 ILE H 3.970 . 4.970 3.453 2.721 4.095 . 0 0 "[ . 1 . 2]" 1
271 1 25 CYS HA 1 26 LEU H 2.630 . 3.630 2.125 2.093 2.250 . 0 0 "[ . 1 . 2]" 1
272 1 26 LEU H 1 66 ILE HA 3.970 . 4.970 3.654 3.263 3.992 . 0 0 "[ . 1 . 2]" 1
273 1 25 CYS HB3 1 26 LEU H 3.710 . 4.710 3.804 3.504 4.419 . 0 0 "[ . 1 . 2]" 1
274 1 26 LEU H 1 26 LEU HB3 3.410 . 4.410 3.338 2.828 3.602 . 0 0 "[ . 1 . 2]" 1
275 1 92 ILE HA 1 93 ARG H 2.610 . 3.610 2.211 2.117 2.311 . 0 0 "[ . 1 . 2]" 1
276 1 92 ILE HB 1 93 ARG H 3.040 . 4.040 3.065 2.680 3.407 . 0 0 "[ . 1 . 2]" 1
277 1 93 ARG H 1 93 ARG QG 3.150 . 4.150 3.151 2.550 4.018 . 0 0 "[ . 1 . 2]" 1
278 1 92 ILE QG 1 93 ARG H 4.130 . 5.130 3.956 3.687 4.315 . 0 0 "[ . 1 . 2]" 1
279 1 93 ARG H 1 93 ARG HB2 3.320 . 4.320 3.561 2.552 4.041 . 0 0 "[ . 1 . 2]" 1
280 1 87 PHE H 1 90 LYS H 3.020 . 4.020 2.966 2.642 3.361 . 0 0 "[ . 1 . 2]" 1
281 1 89 GLY H 1 90 LYS H 2.880 . 3.880 2.478 2.256 2.627 . 0 0 "[ . 1 . 2]" 1
282 1 86 GLN HA 1 90 LYS H 4.110 . 5.110 4.282 3.606 4.675 . 0 0 "[ . 1 . 2]" 1
283 1 90 LYS H 1 90 LYS HB3 3.390 . 4.390 3.543 3.149 3.825 . 0 0 "[ . 1 . 2]" 1
284 1 90 LYS H 1 90 LYS HB2 2.720 . 3.720 2.766 2.505 3.169 . 0 0 "[ . 1 . 2]" 1
285 1 74 PHE H 1 75 ALA H 2.950 . 3.950 2.327 2.261 2.414 . 0 0 "[ . 1 . 2]" 1
286 1 75 ALA H 1 76 ALA H 3.170 . 4.170 2.694 2.559 2.789 . 0 0 "[ . 1 . 2]" 1
287 1 74 PHE HB2 1 75 ALA H 3.130 . 4.130 3.647 2.520 4.082 . 0 0 "[ . 1 . 2]" 1
288 1 75 ALA H 1 75 ALA MB 2.640 . 3.640 2.208 2.169 2.271 . 0 0 "[ . 1 . 2]" 1
289 1 38 ILE H 1 39 CYS H 2.890 . 3.890 2.680 2.463 2.814 . 0 0 "[ . 1 . 2]" 1
290 1 35 PRO HA 1 38 ILE H 3.940 . 4.940 3.821 3.589 3.983 . 0 0 "[ . 1 . 2]" 1
291 1 38 ILE H 1 38 ILE HB 2.670 . 3.670 2.222 2.072 3.040 . 0 0 "[ . 1 . 2]" 1
292 1 38 ILE H 1 38 ILE HG13 2.920 . 3.920 3.694 3.185 3.986 0.066 8 0 "[ . 1 . 2]" 1
293 1 33 VAL H 1 34 SER H 4.240 . 5.240 4.365 3.966 4.501 . 0 0 "[ . 1 . 2]" 1
294 1 31 ASP H 1 33 VAL H 3.900 . 4.900 4.560 3.945 4.798 . 0 0 "[ . 1 . 2]" 1
295 1 32 LYS H 1 33 VAL H 2.390 . 3.390 2.587 2.118 2.797 . 0 0 "[ . 1 . 2]" 1
296 1 33 VAL H 1 33 VAL HB 2.290 . 3.290 3.382 3.097 3.495 0.205 6 0 "[ . 1 . 2]" 1
297 1 32 LYS HB2 1 33 VAL H 3.640 . 4.640 4.044 3.285 4.317 . 0 0 "[ . 1 . 2]" 1
298 1 33 VAL H 1 33 VAL MG1 2.910 . 3.910 3.349 2.853 3.867 . 0 0 "[ . 1 . 2]" 1
299 1 61 ASP H 1 63 ASN H 4.240 . 5.240 3.466 2.510 4.654 . 0 0 "[ . 1 . 2]" 1
300 1 61 ASP H 1 61 ASP QB 2.960 . 3.960 2.447 2.205 2.628 . 0 0 "[ . 1 . 2]" 1
301 1 59 VAL MG1 1 61 ASP H 3.780 . 4.780 3.132 2.169 4.009 . 0 0 "[ . 1 . 2]" 1
302 1 41 PHE H 1 42 LEU H 3.490 . 4.490 2.780 2.613 2.907 . 0 0 "[ . 1 . 2]" 1
303 1 41 PHE QD 1 42 LEU H 3.450 . 4.450 3.626 3.316 4.049 . 0 0 "[ . 1 . 2]" 1
304 1 41 PHE HB2 1 42 LEU H 3.390 . 4.390 4.280 4.093 4.375 . 0 0 "[ . 1 . 2]" 1
305 1 42 LEU H 1 42 LEU HG 2.770 . 3.770 2.986 2.580 3.961 0.191 3 0 "[ . 1 . 2]" 1
306 1 42 LEU H 1 42 LEU HB2 3.570 . 4.570 2.300 1.969 2.448 . 0 0 "[ . 1 . 2]" 1
307 1 42 LEU H 1 42 LEU MD1 3.780 . 4.780 3.837 2.541 4.099 . 0 0 "[ . 1 . 2]" 1
308 1 10 ARG H 1 11 LEU H 2.850 . 3.850 2.805 2.693 3.173 . 0 0 "[ . 1 . 2]" 1
309 1 7 GLU HA 1 10 ARG H 3.100 . 4.100 3.279 3.046 3.585 . 0 0 "[ . 1 . 2]" 1
310 1 10 ARG H 1 10 ARG HB3 2.600 . 3.600 2.831 2.242 3.600 . 15 0 "[ . 1 . 2]" 1
311 1 9 LYS QB 1 10 ARG H 2.230 . 3.230 2.215 2.084 2.357 . 0 0 "[ . 1 . 2]" 1
312 1 9 LYS QD 1 10 ARG H 3.360 . 4.360 3.482 2.530 3.973 . 0 0 "[ . 1 . 2]" 1
313 1 30 SER H 1 34 SER H 5.000 . 6.000 5.877 5.425 6.065 0.065 1 0 "[ . 1 . 2]" 1
314 1 33 VAL HB 1 34 SER H 3.600 . 4.600 2.274 1.769 3.991 0.031 14 0 "[ . 1 . 2]" 1
315 1 34 SER H 1 37 LEU HG 3.310 . 4.310 4.199 3.767 4.327 0.017 5 0 "[ . 1 . 2]" 1
316 1 71 ASP QB 1 72 SER H 3.570 . 4.570 3.193 2.619 3.393 . 0 0 "[ . 1 . 2]" 1
317 1 22 THR HG1 1 72 SER H 4.420 . 5.420 3.521 2.885 4.560 . 0 0 "[ . 1 . 2]" 1
318 1 6 ASN H 1 6 ASN QB 3.460 . 4.460 2.268 2.102 2.523 . 0 0 "[ . 1 . 2]" 1
319 1 8 VAL H 1 9 LYS H 2.830 . 3.830 2.600 2.467 3.028 . 0 0 "[ . 1 . 2]" 1
320 1 5 ARG HA 1 8 VAL H 3.550 . 4.550 3.374 3.160 3.648 . 0 0 "[ . 1 . 2]" 1
321 1 8 VAL H 1 8 VAL HB 2.390 . 3.390 2.654 2.465 3.019 . 0 0 "[ . 1 . 2]" 1
322 1 8 VAL H 1 8 VAL MG1 2.840 . 3.840 3.802 3.733 3.847 0.007 12 0 "[ . 1 . 2]" 1
323 1 8 VAL H 1 11 LEU MD1 4.070 . 5.070 4.211 3.778 4.753 . 0 0 "[ . 1 . 2]" 1
324 1 98 ASN HA 1 101 LYS H 3.460 . 4.460 3.326 3.126 3.500 . 0 0 "[ . 1 . 2]" 1
325 1 97 ILE HA 1 101 LYS H 4.040 . 5.040 4.243 3.978 4.590 . 0 0 "[ . 1 . 2]" 1
326 1 43 GLN HB3 1 48 ILE H 3.760 . 4.760 4.174 3.843 4.632 . 0 0 "[ . 1 . 2]" 1
327 1 100 MET QB 1 101 LYS H 3.100 . 4.100 3.361 2.406 3.583 . 0 0 "[ . 1 . 2]" 1
328 1 34 SER H 1 34 SER HB3 3.310 . 4.310 3.767 2.683 3.915 . 0 0 "[ . 1 . 2]" 1
329 1 33 VAL HA 1 34 SER H 2.230 . 3.230 2.471 2.000 2.713 . 0 0 "[ . 1 . 2]" 1
330 1 34 SER H 1 37 LEU HB3 3.100 . 4.100 3.856 3.115 4.116 0.016 2 0 "[ . 1 . 2]" 1
331 1 33 VAL MG1 1 34 SER H 2.980 . 3.980 2.684 1.798 3.292 0.002 20 0 "[ . 1 . 2]" 1
332 1 39 CYS H 1 40 GLN H 3.140 . 4.140 2.702 2.610 2.800 . 0 0 "[ . 1 . 2]" 1
333 1 37 LEU HA 1 40 GLN H 3.440 . 4.440 3.588 3.496 3.667 . 0 0 "[ . 1 . 2]" 1
334 1 39 CYS HB3 1 40 GLN H 2.820 . 3.820 2.504 2.346 2.592 . 0 0 "[ . 1 . 2]" 1
335 1 39 CYS HB2 1 40 GLN H 3.440 . 4.440 3.655 3.426 3.791 . 0 0 "[ . 1 . 2]" 1
336 1 40 GLN H 1 40 GLN QB 2.380 . 3.380 2.592 2.315 2.701 . 0 0 "[ . 1 . 2]" 1
337 1 16 ASN HB3 1 20 LEU H 4.120 . 5.120 4.812 4.397 5.064 . 0 0 "[ . 1 . 2]" 1
338 1 16 ASN HA 1 19 GLU H 3.920 . 4.920 4.465 4.235 4.593 . 0 0 "[ . 1 . 2]" 1
339 1 19 GLU H 1 19 GLU QB 2.580 . 3.580 2.187 2.020 2.794 . 0 0 "[ . 1 . 2]" 1
340 1 18 LYS HB2 1 19 GLU H 3.020 . 4.020 3.999 3.795 4.077 0.057 10 0 "[ . 1 . 2]" 1
341 1 16 ASN HB3 1 19 GLU H 4.170 . 5.170 3.373 2.780 3.775 . 0 0 "[ . 1 . 2]" 1
342 1 76 ALA MB 1 77 LYS H 2.860 . 3.860 2.642 2.541 2.734 . 0 0 "[ . 1 . 2]" 1
343 1 77 LYS H 1 77 LYS HB3 2.490 . 3.490 2.636 2.285 3.510 0.020 8 0 "[ . 1 . 2]" 1
344 1 25 CYS H 1 95 GLY H 3.440 . 4.440 3.313 3.117 3.642 . 0 0 "[ . 1 . 2]" 1
345 1 24 ILE HA 1 25 CYS H 2.940 . 3.940 2.608 2.414 2.763 . 0 0 "[ . 1 . 2]" 1
346 1 25 CYS H 1 94 SER HB3 4.240 . 5.240 5.235 4.227 5.452 0.212 20 0 "[ . 1 . 2]" 1
347 1 25 CYS H 1 25 CYS HB2 3.640 . 4.640 2.823 2.532 3.794 . 0 0 "[ . 1 . 2]" 1
348 1 24 ILE HB 1 25 CYS H 3.080 . 4.080 2.175 2.035 2.391 . 0 0 "[ . 1 . 2]" 1
349 1 24 ILE QG 1 25 CYS H 3.650 . 4.650 2.935 2.514 3.622 . 0 0 "[ . 1 . 2]" 1
350 1 86 GLN H 1 87 PHE H 3.800 . 4.800 4.126 3.929 4.311 . 0 0 "[ . 1 . 2]" 1
351 1 85 SER H 1 86 GLN H 3.940 . 4.940 4.268 4.000 4.579 . 0 0 "[ . 1 . 2]" 1
352 1 85 SER HA 1 86 GLN H 2.350 . 3.350 2.796 2.398 3.139 . 0 0 "[ . 1 . 2]" 1
353 1 85 SER HB3 1 86 GLN H 2.530 . 3.530 2.382 1.860 3.151 . 0 0 "[ . 1 . 2]" 1
354 1 86 GLN H 1 86 GLN HG3 3.680 . 4.680 3.772 3.297 4.203 . 0 0 "[ . 1 . 2]" 1
355 1 86 GLN H 1 86 GLN HB3 2.600 . 3.600 3.623 3.544 3.676 0.076 12 0 "[ . 1 . 2]" 1
356 1 86 GLN H 1 91 VAL MG1 4.160 . 5.160 4.879 4.702 5.051 . 0 0 "[ . 1 . 2]" 1
357 1 31 ASP HA 1 32 LYS H 2.970 . 3.970 3.271 3.156 3.527 . 0 0 "[ . 1 . 2]" 1
358 1 30 SER HB3 1 32 LYS H 3.670 . 4.670 2.618 2.028 3.038 . 0 0 "[ . 1 . 2]" 1
359 1 30 SER HB2 1 32 LYS H 3.650 . 4.650 2.677 2.071 4.037 . 0 0 "[ . 1 . 2]" 1
360 1 32 LYS H 1 32 LYS HB3 3.170 . 4.170 3.611 3.544 3.718 . 0 0 "[ . 1 . 2]" 1
361 1 32 LYS H 1 32 LYS HB2 2.670 . 3.670 2.446 2.358 2.553 . 0 0 "[ . 1 . 2]" 1
362 1 43 GLN HA 1 48 ILE H 2.910 . 3.910 1.983 1.792 2.422 0.008 4 0 "[ . 1 . 2]" 1
363 1 48 ILE H 1 48 ILE HG13 3.540 . 4.540 3.367 2.838 4.327 . 0 0 "[ . 1 . 2]" 1
364 1 48 ILE H 1 48 ILE QG 3.220 . 4.220 3.067 2.789 3.685 . 0 0 "[ . 1 . 2]" 1
365 1 46 ILE HB 1 48 ILE H 4.540 . 5.540 2.765 2.614 2.948 . 0 0 "[ . 1 . 2]" 1
366 1 48 ILE H 1 48 ILE HB 3.280 . 4.280 2.410 2.085 3.723 . 0 0 "[ . 1 . 2]" 1
367 1 6 ASN HA 1 9 LYS H 3.690 . 4.690 3.627 3.324 3.955 . 0 0 "[ . 1 . 2]" 1
368 1 8 VAL HB 1 9 LYS H 2.810 . 3.810 2.670 2.087 2.880 . 0 0 "[ . 1 . 2]" 1
369 1 9 LYS H 1 9 LYS QB 2.290 . 3.290 2.226 2.079 2.315 . 0 0 "[ . 1 . 2]" 1
370 1 19 GLU H 1 20 LEU H 3.060 . 4.060 2.414 2.117 2.567 . 0 0 "[ . 1 . 2]" 1
371 1 19 GLU QB 1 20 LEU H 3.300 . 4.300 2.499 1.997 3.577 . 0 0 "[ . 1 . 2]" 1
372 1 20 LEU H 1 20 LEU HB3 2.330 . 3.330 3.446 3.401 3.484 0.154 18 0 "[ . 1 . 2]" 1
373 1 20 LEU H 1 20 LEU HB2 3.460 . 4.460 2.546 2.200 2.839 . 0 0 "[ . 1 . 2]" 1
374 1 20 LEU H 1 23 LEU MD1 3.400 . 4.400 4.465 4.417 4.499 0.099 2 0 "[ . 1 . 2]" 1
375 1 76 ALA H 1 79 LEU HB2 4.290 . 5.290 4.903 4.541 5.149 . 0 0 "[ . 1 . 2]" 1
376 1 80 MET QB 1 81 ILE H 3.080 . 4.080 2.779 2.608 3.584 . 0 0 "[ . 1 . 2]" 1
377 1 81 ILE H 1 81 ILE HB 2.810 . 3.810 2.582 2.336 2.784 . 0 0 "[ . 1 . 2]" 1
378 1 81 ILE H 1 81 ILE HG13 3.030 . 4.030 3.429 1.986 4.017 . 0 0 "[ . 1 . 2]" 1
379 1 81 ILE H 1 81 ILE HG12 3.340 . 4.340 2.612 2.182 3.375 . 0 0 "[ . 1 . 2]" 1
380 1 81 ILE H 1 81 ILE QG 3.540 . 4.540 2.328 1.964 2.615 . 0 0 "[ . 1 . 2]" 1
381 1 80 MET H 1 81 ILE H 2.860 . 3.860 2.669 2.524 2.786 . 0 0 "[ . 1 . 2]" 1
382 1 12 LEU H 1 13 ALA H 2.740 . 3.740 2.508 2.258 2.780 . 0 0 "[ . 1 . 2]" 1
383 1 12 LEU HB3 1 13 ALA H 3.100 . 4.100 3.037 2.584 3.472 . 0 0 "[ . 1 . 2]" 1
384 1 13 ALA H 1 13 ALA MB 2.430 . 3.430 2.250 2.068 2.288 . 0 0 "[ . 1 . 2]" 1
385 1 12 LEU MD1 1 13 ALA H 4.290 . 5.290 4.633 4.278 4.892 . 0 0 "[ . 1 . 2]" 1
386 1 97 ILE H 1 98 ASN H 2.930 . 3.930 2.617 2.537 2.764 . 0 0 "[ . 1 . 2]" 1
387 1 98 ASN H 1 99 ASP H 2.990 . 3.990 2.411 2.161 2.582 . 0 0 "[ . 1 . 2]" 1
388 1 96 THR HB 1 98 ASN H 3.080 . 4.080 4.030 3.918 4.096 0.016 9 0 "[ . 1 . 2]" 1
389 1 98 ASN H 1 98 ASN HB3 2.460 . 3.460 2.149 2.045 2.322 . 0 0 "[ . 1 . 2]" 1
390 1 96 THR HG1 1 98 ASN H 4.000 . 5.000 3.241 2.607 3.896 . 0 0 "[ . 1 . 2]" 1
391 1 49 ASN H 1 52 ASP H 4.020 . 5.020 3.052 2.766 3.480 . 0 0 "[ . 1 . 2]" 1
392 1 50 GLU H 1 52 ASP H 4.000 . 5.000 4.185 3.823 4.587 . 0 0 "[ . 1 . 2]" 1
393 1 51 LYS H 1 52 ASP H 2.920 . 3.920 2.302 2.128 2.778 . 0 0 "[ . 1 . 2]" 1
394 1 52 ASP H 1 53 ILE H 2.720 . 3.720 2.267 1.895 2.648 . 0 0 "[ . 1 . 2]" 1
395 1 52 ASP H 1 52 ASP HB3 2.640 . 3.640 3.378 3.047 3.698 0.058 6 0 "[ . 1 . 2]" 1
396 1 52 ASP H 1 52 ASP HB2 3.060 . 4.060 2.357 2.105 2.689 . 0 0 "[ . 1 . 2]" 1
397 1 51 LYS QB 1 52 ASP H 3.600 . 4.600 3.645 2.999 3.937 . 0 0 "[ . 1 . 2]" 1
398 1 48 ILE QG 1 52 ASP H 4.400 . 5.400 5.361 5.222 5.449 0.049 6 0 "[ . 1 . 2]" 1
399 1 78 MET H 1 79 LEU H 3.170 . 4.170 2.194 2.063 2.273 . 0 0 "[ . 1 . 2]" 1
400 1 77 LYS H 1 78 MET H 2.920 . 3.920 2.663 2.465 2.721 . 0 0 "[ . 1 . 2]" 1
401 1 77 LYS HB3 1 78 MET H 2.490 . 3.490 2.896 2.694 3.541 0.051 6 0 "[ . 1 . 2]" 1
402 1 77 LYS HD2 1 78 MET H 2.750 . 3.750 3.732 3.462 3.901 0.151 6 0 "[ . 1 . 2]" 1
403 1 76 ALA H 1 77 LYS H 2.950 . 3.950 2.317 2.261 2.393 . 0 0 "[ . 1 . 2]" 1
404 1 76 ALA H 1 76 ALA MB 2.380 . 3.380 2.315 2.171 2.361 . 0 0 "[ . 1 . 2]" 1
405 1 43 GLN H 1 44 GLU H 3.040 . 4.040 2.241 2.127 2.303 . 0 0 "[ . 1 . 2]" 1
406 1 44 GLU H 1 44 GLU HG3 3.120 . 4.120 4.046 3.799 4.165 0.045 15 0 "[ . 1 . 2]" 1
407 1 29 LEU HA 1 30 SER H 2.610 . 3.610 1.946 1.817 2.076 . 0 0 "[ . 1 . 2]" 1
408 1 30 SER H 1 30 SER HB3 2.840 . 3.840 3.493 3.269 3.619 . 0 0 "[ . 1 . 2]" 1
409 1 30 SER H 1 30 SER HB2 2.710 . 3.710 2.480 2.145 2.789 . 0 0 "[ . 1 . 2]" 1
410 1 29 LEU HB3 1 30 SER H 2.860 . 3.860 3.645 2.897 3.941 0.081 5 0 "[ . 1 . 2]" 1
411 1 30 SER H 1 33 VAL MG1 3.690 . 4.690 2.536 1.781 3.704 0.019 10 0 "[ . 1 . 2]" 1
412 1 29 LEU MD1 1 30 SER H 3.500 . 4.500 4.415 3.909 4.630 0.130 19 0 "[ . 1 . 2]" 1
413 1 30 SER H 1 33 VAL HB 4.030 . 5.030 3.815 2.009 4.392 . 0 0 "[ . 1 . 2]" 1
414 1 82 LEU H 1 82 LEU HB3 2.650 . 3.650 2.736 2.423 3.601 . 0 0 "[ . 1 . 2]" 1
415 1 97 ILE QG 1 98 ASN H 3.520 . 4.520 2.443 1.797 3.068 0.003 17 0 "[ . 1 . 2]" 1
416 1 83 ASN H 1 84 GLY H 4.050 . 5.050 4.338 4.086 4.616 . 0 0 "[ . 1 . 2]" 1
417 1 83 ASN H 1 94 SER HB2 4.080 . 5.080 5.053 4.725 5.170 0.090 9 0 "[ . 1 . 2]" 1
418 1 83 ASN H 1 83 ASN HB3 2.740 . 3.740 3.465 3.212 3.602 . 0 0 "[ . 1 . 2]" 1
419 1 83 ASN H 1 83 ASN HB2 3.180 . 4.180 2.300 2.185 2.416 . 0 0 "[ . 1 . 2]" 1
420 1 82 LEU HB3 1 83 ASN H 3.370 . 4.370 2.572 2.044 3.730 . 0 0 "[ . 1 . 2]" 1
421 1 82 LEU MD1 1 83 ASN H 3.970 . 4.970 3.520 2.708 4.501 . 0 0 "[ . 1 . 2]" 1
422 1 84 GLY H 1 93 ARG HA 3.390 . 4.390 2.685 1.789 3.644 0.011 12 0 "[ . 1 . 2]" 1
423 1 83 ASN HA 1 84 GLY H 2.750 . 3.750 2.189 1.892 2.994 . 0 0 "[ . 1 . 2]" 1
424 1 83 ASN HB2 1 84 GLY H 4.350 . 5.350 4.094 3.221 4.535 . 0 0 "[ . 1 . 2]" 1
425 1 84 GLY H 1 92 ILE HG13 4.600 . 5.600 4.116 3.094 4.904 . 0 0 "[ . 1 . 2]" 1
426 1 84 GLY H 1 91 VAL MG1 3.970 . 4.970 4.292 3.688 4.690 . 0 0 "[ . 1 . 2]" 1
427 1 81 ILE H 1 82 LEU H 2.960 . 3.960 2.518 2.425 2.618 . 0 0 "[ . 1 . 2]" 1
428 1 82 LEU H 1 83 ASN H 3.020 . 4.020 2.528 2.338 2.721 . 0 0 "[ . 1 . 2]" 1
429 1 82 LEU H 1 82 LEU HB2 3.190 . 4.190 2.566 2.121 3.625 . 0 0 "[ . 1 . 2]" 1
430 1 81 ILE QG 1 82 LEU H 3.580 . 4.580 4.106 3.869 4.332 . 0 0 "[ . 1 . 2]" 1
431 1 84 GLY H 1 85 SER H 2.730 . 3.730 1.950 1.663 2.590 0.137 14 0 "[ . 1 . 2]" 1
432 1 85 SER H 1 85 SER HB3 2.690 . 3.690 3.462 2.653 3.705 0.015 18 0 "[ . 1 . 2]" 1
433 1 85 SER H 1 92 ILE HG13 3.950 . 4.950 3.573 2.802 4.560 . 0 0 "[ . 1 . 2]" 1
434 1 85 SER H 1 91 VAL MG1 3.710 . 4.710 3.598 2.928 3.914 . 0 0 "[ . 1 . 2]" 1
435 1 12 LEU H 1 14 SER H 3.830 . 4.830 3.813 3.671 3.950 . 0 0 "[ . 1 . 2]" 1
436 1 8 VAL HA 1 12 LEU H 3.960 . 4.960 4.120 3.916 4.305 . 0 0 "[ . 1 . 2]" 1
437 1 12 LEU H 1 12 LEU HB3 2.350 . 3.350 3.331 3.036 3.454 0.104 8 0 "[ . 1 . 2]" 1
438 1 12 LEU H 1 12 LEU HB2 3.240 . 4.240 2.094 1.996 2.189 . 0 0 "[ . 1 . 2]" 1
439 1 11 LEU HB2 1 12 LEU H 3.420 . 4.420 2.992 2.724 3.330 . 0 0 "[ . 1 . 2]" 1
440 1 12 LEU H 1 12 LEU MD1 3.490 . 4.270 3.830 2.502 4.273 0.003 5 0 "[ . 1 . 2]" 1
441 1 11 LEU H 1 12 LEU H 3.370 . 4.370 2.273 2.117 3.064 . 0 0 "[ . 1 . 2]" 1
442 1 43 GLN H 1 43 GLN HG3 3.180 . 4.180 2.273 1.938 2.794 . 0 0 "[ . 1 . 2]" 1
443 1 43 GLN H 1 43 GLN HG2 3.430 . 4.430 3.394 3.019 3.713 . 0 0 "[ . 1 . 2]" 1
444 1 43 GLN H 1 43 GLN HB2 2.740 . 3.740 2.532 2.359 2.670 . 0 0 "[ . 1 . 2]" 1
445 1 42 LEU HB2 1 43 GLN H 3.990 . 4.990 2.624 2.460 3.059 . 0 0 "[ . 1 . 2]" 1
446 1 43 GLN H 1 56 ILE MD 4.280 . 5.280 5.175 4.823 5.315 0.035 15 0 "[ . 1 . 2]" 1
447 1 21 GLU H 1 22 THR HG1 4.330 . 5.330 4.793 3.777 5.366 0.036 17 0 "[ . 1 . 2]" 1
448 1 21 GLU H 1 23 LEU MD1 4.210 . 5.210 5.018 4.713 5.232 0.022 2 0 "[ . 1 . 2]" 1
449 1 54 ARG H 1 55 LYS H 2.850 . 3.850 2.254 2.065 2.664 . 0 0 "[ . 1 . 2]" 1
450 1 55 LYS H 1 68 ILE H 3.380 . 4.380 3.193 3.004 3.362 . 0 0 "[ . 1 . 2]" 1
451 1 53 ILE HA 1 55 LYS H 3.800 . 4.800 3.806 3.556 4.526 . 0 0 "[ . 1 . 2]" 1
452 1 54 ARG HB2 1 55 LYS H 3.160 . 4.160 2.836 1.823 3.173 . 0 0 "[ . 1 . 2]" 1
453 1 55 LYS H 1 68 ILE QG 4.300 . 5.300 4.779 4.290 5.212 . 0 0 "[ . 1 . 2]" 1
454 1 53 ILE QG 1 55 LYS H 3.700 . 4.700 3.472 2.600 4.712 0.012 14 0 "[ . 1 . 2]" 1
455 1 55 LYS H 1 56 ILE H 4.080 . 5.080 4.193 4.062 4.298 . 0 0 "[ . 1 . 2]" 1
456 1 55 LYS H 1 67 ILE QG 4.720 . 5.720 5.483 5.156 5.747 0.027 1 0 "[ . 1 . 2]" 1
457 1 51 LYS H 1 53 ILE H 4.070 . 5.070 3.788 3.307 4.335 . 0 0 "[ . 1 . 2]" 1
458 1 49 ASN QB 1 51 LYS H 3.150 . 4.150 2.773 2.052 3.224 . 0 0 "[ . 1 . 2]" 1
459 1 50 GLU QG 1 51 LYS H 3.650 . 4.650 2.716 2.123 3.178 . 0 0 "[ . 1 . 2]" 1
460 1 50 GLU HB2 1 51 LYS H 3.840 . 4.840 4.016 3.452 4.319 . 0 0 "[ . 1 . 2]" 1
461 1 51 LYS H 1 51 LYS QB 2.440 . 3.440 2.809 2.471 3.044 . 0 0 "[ . 1 . 2]" 1
462 1 51 LYS H 1 51 LYS HG2 3.010 . 4.010 3.146 2.412 3.782 . 0 0 "[ . 1 . 2]" 1
463 1 70 ARG H 1 71 ASP H 3.310 . 4.310 2.265 1.742 3.459 0.058 20 0 "[ . 1 . 2]" 1
464 1 69 PHE QD 1 70 ARG H 4.060 . 5.060 4.076 3.638 4.680 . 0 0 "[ . 1 . 2]" 1
465 1 69 PHE HA 1 70 ARG H 2.820 . 3.820 3.230 2.552 3.567 . 0 0 "[ . 1 . 2]" 1
466 1 69 PHE HB3 1 70 ARG H 3.040 . 4.040 2.582 2.003 4.183 0.143 12 0 "[ . 1 . 2]" 1
467 1 69 PHE HB2 1 70 ARG H 3.510 . 4.510 2.390 1.874 4.124 . 0 0 "[ . 1 . 2]" 1
468 1 70 ARG H 1 70 ARG QB 2.830 . 3.830 2.699 2.397 3.439 . 0 0 "[ . 1 . 2]" 1
469 1 70 ARG H 1 70 ARG HG3 3.850 . 4.850 3.209 2.104 4.147 . 0 0 "[ . 1 . 2]" 1
470 1 70 ARG H 1 70 ARG HG2 3.540 . 4.540 3.872 3.043 4.494 . 0 0 "[ . 1 . 2]" 1
471 1 26 LEU H 1 27 PHE H 3.890 . 4.890 4.547 4.481 4.593 . 0 0 "[ . 1 . 2]" 1
472 1 26 LEU HA 1 27 PHE H 2.430 . 3.430 2.207 2.168 2.310 . 0 0 "[ . 1 . 2]" 1
473 1 26 LEU HB2 1 27 PHE H 3.550 . 4.550 4.272 2.886 4.466 . 0 0 "[ . 1 . 2]" 1
474 1 26 LEU MD1 1 27 PHE H 3.720 . 4.720 3.574 2.623 4.515 . 0 0 "[ . 1 . 2]" 1
475 1 21 GLU H 1 22 THR H 3.040 . 4.040 2.581 2.332 2.771 . 0 0 "[ . 1 . 2]" 1
476 1 20 LEU HA 1 21 GLU H 3.070 . 4.070 3.310 3.176 3.409 . 0 0 "[ . 1 . 2]" 1
477 1 21 GLU H 1 21 GLU HG3 2.980 . 3.980 3.700 3.005 4.006 0.026 17 0 "[ . 1 . 2]" 1
478 1 21 GLU H 1 21 GLU HB3 2.520 . 3.520 2.875 2.186 3.592 0.072 9 0 "[ . 1 . 2]" 1
479 1 20 LEU HB3 1 21 GLU H 3.240 . 4.240 4.165 3.847 4.324 0.084 19 0 "[ . 1 . 2]" 1
480 1 20 LEU HB2 1 21 GLU H 3.850 . 4.850 3.402 3.166 3.565 . 0 0 "[ . 1 . 2]" 1
481 1 44 GLU H 1 46 ILE H 4.160 . 5.160 4.008 3.922 4.123 . 0 0 "[ . 1 . 2]" 1
482 1 42 LEU HA 1 46 ILE H 3.710 . 4.710 3.080 2.774 3.309 . 0 0 "[ . 1 . 2]" 1
483 1 46 ILE H 1 46 ILE HB 3.180 . 4.180 2.832 2.434 3.139 . 0 0 "[ . 1 . 2]" 1
484 1 45 GLU QB 1 46 ILE H 3.070 . 4.070 2.577 2.400 3.477 . 0 0 "[ . 1 . 2]" 1
485 1 46 ILE H 1 46 ILE HG13 3.040 . 4.040 3.121 2.335 3.358 . 0 0 "[ . 1 . 2]" 1
486 1 46 ILE H 1 46 ILE MD 4.010 . 5.010 3.132 2.560 3.563 . 0 0 "[ . 1 . 2]" 1
487 1 45 GLU H 1 46 ILE H 2.860 . 3.860 2.263 2.143 2.459 . 0 0 "[ . 1 . 2]" 1
488 1 45 GLU H 1 45 GLU QB 2.840 . 3.840 2.405 2.232 2.724 . 0 0 "[ . 1 . 2]" 1
489 1 45 GLU H 1 46 ILE HG13 3.930 . 4.930 4.851 4.092 4.991 0.061 17 0 "[ . 1 . 2]" 1
490 1 59 VAL MG1 1 63 ASN H 4.530 . 5.530 4.214 2.577 5.511 . 0 0 "[ . 1 . 2]" 1
491 1 44 GLU H 1 45 GLU H 2.970 . 3.970 2.579 2.490 2.621 . 0 0 "[ . 1 . 2]" 1
492 1 61 ASP QB 1 63 ASN H 4.410 . 5.410 4.744 3.605 5.226 . 0 0 "[ . 1 . 2]" 1
493 1 13 ALA H 1 14 SER H 2.860 . 3.860 2.391 2.316 2.493 . 0 0 "[ . 1 . 2]" 1
494 1 13 ALA HA 1 14 SER H 3.050 . 4.050 3.505 3.421 3.537 . 0 0 "[ . 1 . 2]" 1
495 1 14 SER H 1 14 SER HB3 2.370 . 3.370 3.149 2.761 3.516 0.146 14 0 "[ . 1 . 2]" 1
496 1 14 SER H 1 14 SER HB2 2.230 . 3.230 2.306 2.133 2.502 . 0 0 "[ . 1 . 2]" 1
497 1 13 ALA MB 1 14 SER H 3.220 . 4.220 2.797 2.536 3.085 . 0 0 "[ . 1 . 2]" 1
498 1 14 SER H 1 20 LEU MD1 3.910 . 4.910 4.884 4.606 4.968 0.058 9 0 "[ . 1 . 2]" 1
499 1 16 ASN HA 1 16 ASN HD21 3.380 . 4.380 4.346 4.018 4.419 0.039 9 0 "[ . 1 . 2]" 1
500 1 16 ASN HB2 1 16 ASN HD21 2.970 . 3.970 2.785 2.190 3.052 . 0 0 "[ . 1 . 2]" 1
501 1 16 ASN HA 1 16 ASN HD22 3.600 . 4.600 4.572 4.302 4.639 0.039 13 0 "[ . 1 . 2]" 1
502 1 24 ILE H 1 69 PHE QD 4.370 . 5.370 4.713 4.231 5.143 . 0 0 "[ . 1 . 2]" 1
503 1 24 ILE H 1 69 PHE QE 4.350 . 5.350 4.618 3.603 5.058 . 0 0 "[ . 1 . 2]" 1
504 1 23 LEU HA 1 24 ILE H 2.570 . 3.570 2.378 2.155 2.600 . 0 0 "[ . 1 . 2]" 1
505 1 24 ILE H 1 68 ILE HA 3.810 . 4.810 3.776 3.499 4.029 . 0 0 "[ . 1 . 2]" 1
506 1 23 LEU HB3 1 24 ILE H 3.120 . 4.120 3.655 3.347 4.071 . 0 0 "[ . 1 . 2]" 1
507 1 23 LEU HB2 1 24 ILE H 3.850 . 4.850 2.248 1.832 2.850 . 0 0 "[ . 1 . 2]" 1
508 1 24 ILE H 1 24 ILE QG 3.290 . 4.290 3.084 2.505 3.470 . 0 0 "[ . 1 . 2]" 1
509 1 23 LEU MD1 1 24 ILE H 3.140 . 4.140 2.387 2.140 2.674 . 0 0 "[ . 1 . 2]" 1
510 1 71 ASP H 1 72 SER H 4.190 . 5.190 4.329 4.213 4.408 . 0 0 "[ . 1 . 2]" 1
511 1 69 PHE HA 1 71 ASP H 4.180 . 5.180 4.916 4.313 5.313 0.133 14 0 "[ . 1 . 2]" 1
512 1 69 PHE HB3 1 71 ASP H 3.200 . 4.200 4.098 3.778 4.274 0.074 16 0 "[ . 1 . 2]" 1
513 1 71 ASP H 1 71 ASP QB 2.890 . 3.890 2.912 2.695 3.258 . 0 0 "[ . 1 . 2]" 1
514 1 70 ARG QB 1 71 ASP H 3.090 . 4.090 3.150 2.656 3.723 . 0 0 "[ . 1 . 2]" 1
515 1 70 ARG HG3 1 71 ASP H 3.930 . 4.930 4.787 4.263 4.981 0.051 19 0 "[ . 1 . 2]" 1
516 1 79 LEU H 1 80 MET H 2.970 . 3.970 2.758 2.548 3.004 . 0 0 "[ . 1 . 2]" 1
517 1 80 MET H 1 80 MET HG3 3.480 . 4.480 3.509 2.289 4.269 . 0 0 "[ . 1 . 2]" 1
518 1 80 MET H 1 80 MET HG2 3.710 . 4.710 2.736 2.229 3.808 . 0 0 "[ . 1 . 2]" 1
519 1 80 MET H 1 80 MET QB 2.470 . 3.470 2.337 2.074 2.454 . 0 0 "[ . 1 . 2]" 1
520 1 79 LEU HB2 1 80 MET H 2.740 . 3.740 3.631 3.425 3.753 0.013 10 0 "[ . 1 . 2]" 1
521 1 79 LEU MD1 1 80 MET H 3.980 . 4.980 4.369 3.323 4.714 . 0 0 "[ . 1 . 2]" 1
522 1 98 ASN HB3 1 98 ASN HD22 3.440 . 4.440 3.652 3.449 4.080 . 0 0 "[ . 1 . 2]" 1
523 1 6 ASN QB 1 6 ASN HD21 2.910 . 3.910 2.219 2.110 2.760 . 0 0 "[ . 1 . 2]" 1
524 1 6 ASN QB 1 6 ASN HD22 3.130 . 4.130 3.253 3.207 3.468 . 0 0 "[ . 1 . 2]" 1
525 1 3 LEU HB3 1 6 ASN HD22 4.290 . 5.290 4.831 3.535 5.318 0.028 19 0 "[ . 1 . 2]" 1
526 1 95 GLY HA2 1 96 THR H 2.970 . 3.970 2.892 2.786 3.060 . 0 0 "[ . 1 . 2]" 1
527 1 96 THR H 1 99 ASP HB3 3.180 . 4.180 2.704 2.458 3.194 . 0 0 "[ . 1 . 2]" 1
528 1 79 LEU MD1 1 96 THR H 4.320 . 5.320 4.122 3.730 4.767 . 0 0 "[ . 1 . 2]" 1
529 1 96 THR H 1 99 ASP HB2 3.640 . 4.640 2.179 1.756 3.031 0.044 19 0 "[ . 1 . 2]" 1
530 1 88 GLN HB3 1 88 GLN HE21 4.130 . 5.130 3.572 2.249 4.514 . 0 0 "[ . 1 . 2]" 1
531 1 88 GLN HE21 1 88 GLN HG3 3.020 . 4.020 2.534 2.202 3.456 . 0 0 "[ . 1 . 2]" 1
532 1 33 VAL MG1 1 88 GLN HE21 3.410 . 4.410 3.618 1.918 4.416 0.006 17 0 "[ . 1 . 2]" 1
533 1 40 GLN HA 1 40 GLN QE 4.210 . 5.210 2.834 2.592 3.150 . 0 0 "[ . 1 . 2]" 1
534 1 40 GLN QB 1 40 GLN QE 3.680 . 4.680 3.429 3.336 3.492 . 0 0 "[ . 1 . 2]" 1
535 1 40 GLN QE 1 56 ILE MD 4.680 . 5.680 5.635 5.349 5.716 0.036 3 0 "[ . 1 . 2]" 1
536 1 47 HIS H 1 48 ILE H 3.100 . 4.100 2.727 2.562 3.005 . 0 0 "[ . 1 . 2]" 1
537 1 47 HIS H 1 47 HIS HA 2.430 . 3.430 2.270 2.248 2.279 . 0 0 "[ . 1 . 2]" 1
538 1 46 ILE HB 1 47 HIS H 3.760 . 4.760 3.387 3.261 3.553 . 0 0 "[ . 1 . 2]" 1
539 1 45 GLU QB 1 47 HIS H 4.250 . 5.250 4.271 4.117 4.637 . 0 0 "[ . 1 . 2]" 1
540 1 33 VAL HA 1 88 GLN HE22 4.360 . 5.360 4.469 3.462 5.375 0.015 1 0 "[ . 1 . 2]" 1
541 1 33 VAL MG1 1 88 GLN HE22 3.570 . 4.570 2.874 1.804 4.524 . 0 0 "[ . 1 . 2]" 1
542 1 63 ASN HA 1 63 ASN HD21 4.060 . 5.060 4.151 3.741 4.464 . 0 0 "[ . 1 . 2]" 1
543 1 43 GLN HE21 1 43 GLN HG3 3.480 . 4.480 2.797 2.203 3.515 . 0 0 "[ . 1 . 2]" 1
544 1 93 ARG HA 1 94 SER H 2.640 . 3.640 2.627 2.489 2.691 . 0 0 "[ . 1 . 2]" 1
545 1 93 ARG HB3 1 94 SER H 2.930 . 3.930 3.224 2.191 3.904 . 0 0 "[ . 1 . 2]" 1
546 1 93 ARG HB2 1 94 SER H 3.390 . 4.390 2.635 2.164 3.877 . 0 0 "[ . 1 . 2]" 1
547 1 94 SER H 1 94 SER HB2 3.640 . 4.640 3.411 2.995 3.900 . 0 0 "[ . 1 . 2]" 1
548 1 83 ASN HB2 1 94 SER H 3.780 . 4.780 3.810 3.190 4.803 0.023 20 0 "[ . 1 . 2]" 1
549 1 60 SER H 1 62 PHE H 4.430 . 5.430 4.751 4.357 5.527 0.097 8 0 "[ . 1 . 2]" 1
550 1 61 ASP H 1 62 PHE H 3.190 . 4.190 2.391 1.791 3.077 0.009 5 0 "[ . 1 . 2]" 1
551 1 62 PHE H 1 63 ASN HA 4.120 . 5.120 3.551 3.265 4.855 . 0 0 "[ . 1 . 2]" 1
552 1 61 ASP QB 1 62 PHE H 3.330 . 4.330 3.392 1.785 3.770 0.015 15 0 "[ . 1 . 2]" 1
553 1 59 VAL MG1 1 62 PHE H 3.200 . 4.200 3.924 3.354 4.312 0.112 19 0 "[ . 1 . 2]" 1
554 1 62 PHE H 1 63 ASN H 2.610 . 3.610 1.830 1.684 2.647 0.116 19 0 "[ . 1 . 2]" 1
555 1 62 PHE H 1 62 PHE HB3 3.630 . 4.630 3.936 3.281 4.133 . 0 0 "[ . 1 . 2]" 1
556 1 25 CYS HB2 1 95 GLY H 4.180 . 5.180 4.117 3.693 5.203 0.023 6 0 "[ . 1 . 2]" 1
557 1 95 GLY H 1 103 TYR QE 3.610 . 4.610 3.932 3.263 4.622 0.012 5 0 "[ . 1 . 2]" 1
558 1 94 SER HA 1 95 GLY H 2.700 . 3.700 2.495 2.245 2.583 . 0 0 "[ . 1 . 2]" 1
559 1 94 SER HB3 1 95 GLY H 3.240 . 4.240 2.945 1.865 3.442 . 0 0 "[ . 1 . 2]" 1
560 1 94 SER HB2 1 95 GLY H 3.780 . 4.780 2.927 1.852 3.765 . 0 0 "[ . 1 . 2]" 1
561 1 79 LEU MD1 1 95 GLY H 3.730 . 4.730 2.701 2.304 2.914 . 0 0 "[ . 1 . 2]" 1
562 1 24 ILE HB 1 95 GLY H 4.120 . 5.120 3.831 3.528 4.155 . 0 0 "[ . 1 . 2]" 1
563 1 22 THR H 1 22 THR HG1 2.930 . 3.930 2.415 1.787 3.194 0.013 19 0 "[ . 1 . 2]" 1
564 1 96 THR HB 1 98 ASN HB3 4.520 . 5.520 5.568 5.536 5.613 0.093 7 0 "[ . 1 . 2]" 1
565 1 22 THR HB 1 75 ALA MB 4.300 . 5.300 4.902 4.303 5.157 . 0 0 "[ . 1 . 2]" 1
566 1 22 THR HB 1 72 SER HB2 4.740 . 5.740 5.685 5.258 5.809 0.069 6 0 "[ . 1 . 2]" 1
567 1 22 THR HB 1 68 ILE QG 4.150 . 5.150 3.136 2.774 5.096 . 0 0 "[ . 1 . 2]" 1
568 1 26 LEU HA 1 94 SER HB3 4.460 . 5.460 2.847 1.771 3.651 0.029 13 0 "[ . 1 . 2]" 1
569 1 94 SER HB3 1 95 GLY HA3 4.380 . 5.380 5.152 4.588 5.606 0.226 9 0 "[ . 1 . 2]" 1
570 1 26 LEU HB2 1 94 SER HB2 4.180 . 5.180 5.132 4.687 5.334 0.154 16 0 "[ . 1 . 2]" 1
571 1 83 ASN HB3 1 94 SER HB2 4.640 . 5.640 3.258 2.422 4.612 . 0 0 "[ . 1 . 2]" 1
572 1 8 VAL HA 1 11 LEU HB3 3.390 . 4.390 3.778 3.456 4.316 . 0 0 "[ . 1 . 2]" 1
573 1 8 VAL HA 1 11 LEU HG 4.490 . 5.490 4.349 3.979 5.223 . 0 0 "[ . 1 . 2]" 1
574 1 8 VAL HA 1 11 LEU QD 3.210 . 4.210 2.719 2.511 2.990 . 0 0 "[ . 1 . 2]" 1
575 1 35 PRO HA 1 38 ILE HB 3.430 . 4.430 3.216 2.741 4.364 . 0 0 "[ . 1 . 2]" 1
576 1 35 PRO HA 1 58 LEU MD1 3.200 . 4.200 2.662 1.989 3.808 . 0 0 "[ . 1 . 2]" 1
577 1 35 PRO HA 1 38 ILE MD 3.840 . 4.840 3.157 1.832 4.053 . 0 0 "[ . 1 . 2]" 1
578 1 35 PRO HA 1 38 ILE HG12 4.800 . 5.800 5.085 2.781 5.863 0.063 15 0 "[ . 1 . 2]" 1
579 1 97 ILE HA 1 100 MET QB 3.130 . 4.130 3.223 2.313 3.861 . 0 0 "[ . 1 . 2]" 1
580 1 97 ILE HA 1 97 ILE HG13 3.130 . 4.130 3.837 3.483 4.152 0.022 5 0 "[ . 1 . 2]" 1
581 1 97 ILE HA 1 97 ILE QG 2.890 . 3.890 3.289 2.990 3.387 . 0 0 "[ . 1 . 2]" 1
582 1 38 ILE HA 1 41 PHE HB2 3.570 . 4.570 4.241 3.661 4.585 0.015 2 0 "[ . 1 . 2]" 1
583 1 38 ILE HA 1 38 ILE HG13 3.740 . 4.740 2.218 1.958 3.916 . 0 0 "[ . 1 . 2]" 1
584 1 38 ILE HA 1 38 ILE QG 3.230 . 4.230 2.108 1.943 3.294 . 0 0 "[ . 1 . 2]" 1
585 1 38 ILE HA 1 38 ILE HG12 3.450 . 4.450 2.922 2.394 3.543 . 0 0 "[ . 1 . 2]" 1
586 1 38 ILE HA 1 38 ILE MD 4.150 . 5.150 3.342 2.281 3.678 . 0 0 "[ . 1 . 2]" 1
587 1 34 SER HB3 1 37 LEU MD1 4.320 . 5.320 3.718 2.265 5.063 . 0 0 "[ . 1 . 2]" 1
588 1 34 SER HB3 1 37 LEU HG 4.300 . 5.300 3.460 2.670 5.310 0.010 1 0 "[ . 1 . 2]" 1
589 1 30 SER HA 1 30 SER HB3 2.410 . 3.410 2.542 2.320 2.852 . 0 0 "[ . 1 . 2]" 1
590 1 30 SER HB3 1 33 VAL MG1 4.290 . 5.290 4.388 3.598 5.342 0.052 4 0 "[ . 1 . 2]" 1
591 1 14 SER HB3 1 20 LEU HG 4.730 . 5.730 4.776 3.952 5.731 0.001 20 0 "[ . 1 . 2]" 1
592 1 14 SER HB3 1 20 LEU MD1 3.960 . 4.960 3.262 2.439 4.172 . 0 0 "[ . 1 . 2]" 1
593 1 11 LEU QD 1 14 SER HB3 4.370 . 5.370 3.699 3.173 4.430 . 0 0 "[ . 1 . 2]" 1
594 1 30 SER HB2 1 90 LYS QE 4.710 . 5.710 4.690 3.636 5.719 0.009 5 0 "[ . 1 . 2]" 1
595 1 30 SER HB2 1 33 VAL HB 4.010 . 5.010 4.930 4.272 5.062 0.052 13 0 "[ . 1 . 2]" 1
596 1 30 SER HB2 1 33 VAL MG1 3.640 . 4.640 3.089 2.074 4.647 0.007 3 0 "[ . 1 . 2]" 1
597 1 39 CYS HA 1 42 LEU HB3 3.580 . 4.580 3.737 3.293 4.011 . 0 0 "[ . 1 . 2]" 1
598 1 39 CYS HA 1 42 LEU HB2 4.190 . 5.190 2.197 1.958 2.437 . 0 0 "[ . 1 . 2]" 1
599 1 39 CYS HA 1 56 ILE MD 3.060 . 4.060 2.944 2.674 3.132 . 0 0 "[ . 1 . 2]" 1
600 1 91 VAL HA 1 92 ILE HA 4.610 . 5.610 4.361 4.335 4.405 . 0 0 "[ . 1 . 2]" 1
601 1 86 GLN HG3 1 91 VAL HA 3.960 . 4.960 3.485 2.273 4.411 . 0 0 "[ . 1 . 2]" 1
602 1 72 SER HB3 1 75 ALA MB 4.400 . 5.400 4.720 4.258 5.407 0.007 4 0 "[ . 1 . 2]" 1
603 1 32 LYS HB3 1 33 VAL HA 4.080 . 5.080 4.476 4.327 4.742 . 0 0 "[ . 1 . 2]" 1
604 1 33 VAL HA 1 33 VAL MG1 2.730 . 3.730 2.155 2.094 2.237 . 0 0 "[ . 1 . 2]" 1
605 1 81 ILE HA 1 81 ILE HG13 3.230 . 4.230 3.569 3.089 3.794 . 0 0 "[ . 1 . 2]" 1
606 1 81 ILE HA 1 81 ILE HG12 3.160 . 4.160 3.084 2.381 3.473 . 0 0 "[ . 1 . 2]" 1
607 1 81 ILE HA 1 81 ILE QG 3.060 . 4.060 2.897 2.343 3.183 . 0 0 "[ . 1 . 2]" 1
608 1 22 THR HG1 1 72 SER HB2 3.810 . 4.810 4.273 3.389 4.846 0.036 1 0 "[ . 1 . 2]" 1
609 1 72 SER HB2 1 75 ALA MB 4.360 . 5.360 4.433 3.827 5.171 . 0 0 "[ . 1 . 2]" 1
610 1 38 ILE QG 1 39 CYS HA 4.200 . 5.200 4.968 4.525 5.282 0.082 14 0 "[ . 1 . 2]" 1
611 1 60 SER HA 1 60 SER QB 2.120 . 3.120 2.193 2.083 2.334 . 0 0 "[ . 1 . 2]" 1
612 1 28 PRO HA 1 29 LEU MD1 4.820 . 5.820 5.069 3.692 5.951 0.131 9 0 "[ . 1 . 2]" 1
613 1 36 SER HA 1 39 CYS HB3 3.160 . 4.160 3.482 2.949 4.039 . 0 0 "[ . 1 . 2]" 1
614 1 22 THR HA 1 72 SER HA 2.650 . 3.650 2.012 1.789 2.620 0.011 1 0 "[ . 1 . 2]" 1
615 1 22 THR HA 1 72 SER HB2 3.640 . 4.640 3.473 2.641 4.202 . 0 0 "[ . 1 . 2]" 1
616 1 22 THR HA 1 75 ALA MB 3.040 . 4.040 3.133 2.490 3.715 . 0 0 "[ . 1 . 2]" 1
617 1 22 THR HA 1 22 THR HG1 2.870 . 3.870 2.948 2.463 3.636 . 0 0 "[ . 1 . 2]" 1
618 1 62 PHE QD 1 104 TYR HA 4.470 . 5.470 5.384 4.177 5.565 0.095 11 0 "[ . 1 . 2]" 1
619 1 17 SER HA 1 20 LEU HB3 3.180 . 4.180 4.203 4.163 4.233 0.053 12 0 "[ . 1 . 2]" 1
620 1 17 SER HA 1 20 LEU HB2 4.010 . 5.010 2.633 2.492 2.872 . 0 0 "[ . 1 . 2]" 1
621 1 36 SER QB 1 39 CYS HB3 3.990 . 4.990 4.496 4.125 5.008 0.018 1 0 "[ . 1 . 2]" 1
622 1 56 ILE HA 1 67 ILE HA 3.470 . 4.470 2.709 2.354 3.486 . 0 0 "[ . 1 . 2]" 1
623 1 96 THR HA 1 97 ILE HG12 4.380 . 5.380 4.964 4.402 5.394 0.014 14 0 "[ . 1 . 2]" 1
624 1 96 THR HA 1 96 THR HB 2.500 . 3.500 2.488 2.445 2.675 . 0 0 "[ . 1 . 2]" 1
625 1 96 THR HA 1 96 THR HG1 2.870 . 3.870 3.912 3.769 3.959 0.089 16 0 "[ . 1 . 2]" 1
626 1 48 ILE HA 1 49 ASN QB 4.780 . 5.780 4.375 3.914 4.634 . 0 0 "[ . 1 . 2]" 1
627 1 68 ILE HA 1 68 ILE QG 3.350 . 4.350 2.475 2.348 2.602 . 0 0 "[ . 1 . 2]" 1
628 1 23 LEU MD1 1 68 ILE HA 3.310 . 4.310 4.420 4.362 4.452 0.142 18 0 "[ . 1 . 2]" 1
629 1 68 ILE HA 1 68 ILE MD 3.980 . 4.980 3.905 3.831 3.972 . 0 0 "[ . 1 . 2]" 1
630 1 74 PHE HA 1 74 PHE QD 3.710 . 4.710 2.479 2.093 2.896 . 0 0 "[ . 1 . 2]" 1
631 1 74 PHE HA 1 77 LYS HB2 3.320 . 4.320 3.313 2.250 3.958 . 0 0 "[ . 1 . 2]" 1
632 1 74 PHE HA 1 77 LYS HG2 4.460 . 5.460 4.960 3.778 5.466 0.006 17 0 "[ . 1 . 2]" 1
633 1 53 ILE HA 1 69 PHE QD 4.500 . 5.500 4.729 4.384 5.167 . 0 0 "[ . 1 . 2]" 1
634 1 53 ILE HA 1 70 ARG HG3 3.580 . 4.580 4.043 3.446 4.578 . 0 0 "[ . 1 . 2]" 1
635 1 53 ILE HA 1 53 ILE MD 4.080 . 5.080 2.956 1.774 3.738 0.026 20 0 "[ . 1 . 2]" 1
636 1 53 ILE HA 1 53 ILE QG 3.540 . 4.330 2.341 2.019 2.993 . 0 0 "[ . 1 . 2]" 1
637 1 53 ILE HA 1 67 ILE QG 4.630 . 5.630 5.718 5.686 5.766 0.136 15 0 "[ . 1 . 2]" 1
638 1 66 ILE HA 1 67 ILE MD 3.270 . 4.270 3.715 3.127 4.208 . 0 0 "[ . 1 . 2]" 1
639 1 66 ILE HA 1 66 ILE QG 3.230 . 4.230 2.280 2.204 2.415 . 0 0 "[ . 1 . 2]" 1
640 1 41 PHE HA 1 45 GLU QB 4.090 . 5.090 4.688 4.447 4.899 . 0 0 "[ . 1 . 2]" 1
641 1 41 PHE HA 1 41 PHE QD 3.210 . 4.210 2.917 2.683 3.090 . 0 0 "[ . 1 . 2]" 1
642 1 48 ILE HA 1 48 ILE HG13 3.730 . 4.730 2.728 2.278 4.251 . 0 0 "[ . 1 . 2]" 1
643 1 48 ILE HA 1 48 ILE QG 2.920 . 3.920 2.500 2.190 3.490 . 0 0 "[ . 1 . 2]" 1
644 1 21 GLU QB 1 72 SER HA 3.900 . 4.900 3.975 2.991 4.928 0.028 17 0 "[ . 1 . 2]" 1
645 1 72 SER HA 1 75 ALA MB 3.070 . 4.070 2.553 2.206 3.028 . 0 0 "[ . 1 . 2]" 1
646 1 22 THR HG1 1 72 SER HA 3.560 . 4.560 4.284 3.025 4.684 0.124 4 0 "[ . 1 . 2]" 1
647 1 100 MET QG 1 101 LYS HA 5.000 . 6.000 3.283 2.830 5.731 . 0 0 "[ . 1 . 2]" 1
648 1 67 ILE HA 1 67 ILE MD 3.760 . 4.760 3.685 3.557 3.785 . 0 0 "[ . 1 . 2]" 1
649 1 58 LEU HB3 1 59 VAL HA 4.580 . 5.580 4.607 4.180 5.125 . 0 0 "[ . 1 . 2]" 1
650 1 59 VAL HA 1 59 VAL MG1 2.870 . 3.870 2.286 1.887 3.206 . 0 0 "[ . 1 . 2]" 1
651 1 59 VAL HA 1 62 PHE QD 4.810 . 5.810 4.391 3.715 5.727 . 0 0 "[ . 1 . 2]" 1
652 1 9 LYS QD 1 10 ARG HA 3.050 . 4.050 3.662 2.780 4.062 0.012 13 0 "[ . 1 . 2]" 1
653 1 10 ARG HA 1 13 ALA MB 3.240 . 4.240 3.212 2.749 3.519 . 0 0 "[ . 1 . 2]" 1
654 1 9 LYS HA 1 9 LYS QE 4.470 . 5.470 4.410 3.703 4.871 . 0 0 "[ . 1 . 2]" 1
655 1 9 LYS HA 1 9 LYS HG2 3.130 . 4.130 2.458 2.168 2.848 . 0 0 "[ . 1 . 2]" 1
656 1 49 ASN HA 1 50 GLU HA 4.640 . 5.640 4.310 4.237 4.351 . 0 0 "[ . 1 . 2]" 1
657 1 76 ALA HA 1 79 LEU HA 4.160 . 5.160 5.046 4.847 5.161 0.001 15 0 "[ . 1 . 2]" 1
658 1 79 LEU HA 1 79 LEU HG 3.190 . 4.190 2.670 2.349 3.615 . 0 0 "[ . 1 . 2]" 1
659 1 9 LYS HA 1 12 LEU MD1 2.850 . 3.850 3.451 2.467 3.872 0.022 3 0 "[ . 1 . 2]" 1
660 1 100 MET QB 1 101 LYS HA 4.200 . 5.200 4.655 3.807 4.805 . 0 0 "[ . 1 . 2]" 1
661 1 24 ILE HA 1 24 ILE QG 3.320 . 4.320 3.400 3.330 3.468 . 0 0 "[ . 1 . 2]" 1
662 1 43 GLN HA 1 43 GLN HG3 3.400 . 4.400 3.187 2.954 3.458 . 0 0 "[ . 1 . 2]" 1
663 1 43 GLN HA 1 43 GLN HG2 3.180 . 4.180 2.619 2.271 2.874 . 0 0 "[ . 1 . 2]" 1
664 1 43 GLN HA 1 48 ILE HG12 4.640 . 5.640 5.254 4.106 5.648 0.008 12 0 "[ . 1 . 2]" 1
665 1 92 ILE HA 1 92 ILE HG13 3.660 . 4.660 4.078 3.619 4.257 . 0 0 "[ . 1 . 2]" 1
666 1 92 ILE HA 1 92 ILE QG 2.930 . 3.930 3.368 3.306 3.470 . 0 0 "[ . 1 . 2]" 1
667 1 92 ILE HA 1 92 ILE MD 4.010 . 5.010 3.913 3.616 4.109 . 0 0 "[ . 1 . 2]" 1
668 1 85 SER HA 1 86 GLN HG3 5.000 . 6.000 4.219 3.821 4.980 . 0 0 "[ . 1 . 2]" 1
669 1 14 SER HA 1 15 ARG HA 4.140 . 5.140 4.348 4.283 4.394 . 0 0 "[ . 1 . 2]" 1
670 1 14 SER HA 1 20 LEU MD1 4.760 . 5.760 5.215 4.741 5.533 . 0 0 "[ . 1 . 2]" 1
671 1 73 LYS HA 1 73 LYS HB2 2.410 . 3.410 2.934 2.667 3.011 . 0 0 "[ . 1 . 2]" 1
672 1 18 LYS HA 1 18 LYS HG2 2.590 . 3.590 3.262 2.797 3.642 0.052 19 0 "[ . 1 . 2]" 1
673 1 44 GLU HA 1 44 GLU HG3 2.730 . 3.730 3.423 2.286 3.667 . 0 0 "[ . 1 . 2]" 1
674 1 40 GLN HA 1 40 GLN QB 2.320 . 3.320 2.357 2.313 2.471 . 0 0 "[ . 1 . 2]" 1
675 1 77 LYS HA 1 77 LYS HG3 3.100 . 4.100 3.319 2.555 3.593 . 0 0 "[ . 1 . 2]" 1
676 1 77 LYS HA 1 77 LYS QE 4.100 . 5.100 4.376 2.234 4.957 . 0 0 "[ . 1 . 2]" 1
677 1 76 ALA MB 1 77 LYS HA 3.510 . 4.510 3.866 3.808 3.905 . 0 0 "[ . 1 . 2]" 1
678 1 77 LYS HA 1 77 LYS HG2 3.560 . 4.560 2.575 2.235 3.627 . 0 0 "[ . 1 . 2]" 1
679 1 69 PHE HA 1 69 PHE QD 3.290 . 4.290 3.267 3.136 3.406 . 0 0 "[ . 1 . 2]" 1
680 1 53 ILE HA 1 69 PHE HA 3.030 . 4.030 2.378 2.062 2.952 . 0 0 "[ . 1 . 2]" 1
681 1 53 ILE QG 1 69 PHE HA 4.950 . 5.950 3.113 2.393 3.939 . 0 0 "[ . 1 . 2]" 1
682 1 67 ILE QG 1 69 PHE HA 5.000 . 6.000 5.576 5.208 6.003 0.003 3 0 "[ . 1 . 2]" 1
683 1 2 PHE HA 1 2 PHE QD 3.370 . 4.370 2.767 2.105 3.723 . 0 0 "[ . 1 . 2]" 1
684 1 21 GLU HA 1 72 SER HB2 4.250 . 5.250 3.968 3.367 4.976 . 0 0 "[ . 1 . 2]" 1
685 1 21 GLU HA 1 21 GLU HG3 3.160 . 4.160 3.649 3.203 3.848 . 0 0 "[ . 1 . 2]" 1
686 1 21 GLU HA 1 21 GLU HG2 3.260 . 4.260 3.662 3.000 4.001 . 0 0 "[ . 1 . 2]" 1
687 1 21 GLU HA 1 21 GLU QB 2.320 . 3.320 2.227 2.149 2.425 . 0 0 "[ . 1 . 2]" 1
688 1 5 ARG HA 1 5 ARG QD 3.520 . 4.520 3.553 1.869 4.260 . 0 0 "[ . 1 . 2]" 1
689 1 5 ARG HA 1 8 VAL MG1 4.090 . 5.090 3.969 3.619 4.509 . 0 0 "[ . 1 . 2]" 1
690 1 44 GLU HA 1 44 GLU QB 2.400 . 3.400 2.459 2.378 2.502 . 0 0 "[ . 1 . 2]" 1
691 1 18 LYS HA 1 18 LYS QE 4.080 . 5.080 4.378 2.712 5.009 . 0 0 "[ . 1 . 2]" 1
692 1 18 LYS HA 1 18 LYS QB 2.140 . 3.140 2.381 2.310 2.464 . 0 0 "[ . 1 . 2]" 1
693 1 54 ARG QD 1 70 ARG HA 3.430 . 4.430 2.264 1.843 3.048 . 0 0 "[ . 1 . 2]" 1
694 1 4 GLU HA 1 4 GLU QB 2.330 . 3.330 2.347 2.156 2.505 . 0 0 "[ . 1 . 2]" 1
695 1 70 ARG HA 1 70 ARG QB 2.380 . 3.380 2.402 2.303 2.477 . 0 0 "[ . 1 . 2]" 1
696 1 70 ARG HA 1 70 ARG HG3 3.170 . 4.170 3.088 2.910 3.258 . 0 0 "[ . 1 . 2]" 1
697 1 70 ARG HA 1 70 ARG HG2 2.940 . 3.940 2.280 2.149 2.512 . 0 0 "[ . 1 . 2]" 1
698 1 4 GLU HA 1 57 LEU QD 3.800 . 4.800 1.973 1.836 2.256 . 0 0 "[ . 1 . 2]" 1
699 1 11 LEU HA 1 14 SER HB3 3.060 . 4.060 3.379 2.755 3.897 . 0 0 "[ . 1 . 2]" 1
700 1 11 LEU HA 1 11 LEU HG 3.450 . 4.450 2.715 2.555 2.794 . 0 0 "[ . 1 . 2]" 1
701 1 46 ILE HA 1 46 ILE MD 3.050 . 4.050 2.728 2.253 3.854 . 0 0 "[ . 1 . 2]" 1
702 1 30 SER HA 1 30 SER HB2 2.510 . 3.510 2.980 2.849 3.026 . 0 0 "[ . 1 . 2]" 1
703 1 29 LEU QB 1 30 SER HA 4.130 . 5.130 4.602 4.147 4.986 . 0 0 "[ . 1 . 2]" 1
704 1 37 LEU HA 1 38 ILE HA 5.000 . 6.000 4.812 4.697 4.906 . 0 0 "[ . 1 . 2]" 1
705 1 37 LEU HA 1 37 LEU MD1 2.960 . 3.960 3.687 2.314 3.853 . 0 0 "[ . 1 . 2]" 1
706 1 54 ARG HA 1 54 ARG QG 2.910 . 3.910 2.254 2.029 3.027 . 0 0 "[ . 1 . 2]" 1
707 1 53 ILE QG 1 54 ARG HA 5.000 . 6.000 5.397 4.811 6.044 0.044 14 0 "[ . 1 . 2]" 1
708 1 54 ARG HA 1 54 ARG QD 3.130 . 4.130 3.608 2.541 4.102 . 0 0 "[ . 1 . 2]" 1
709 1 80 MET HA 1 80 MET HG3 3.500 . 4.500 3.531 2.844 3.837 . 0 0 "[ . 1 . 2]" 1
710 1 80 MET HA 1 80 MET HG2 3.350 . 4.350 2.894 2.449 3.690 . 0 0 "[ . 1 . 2]" 1
711 1 80 MET HA 1 80 MET QB 2.310 . 3.310 2.399 2.178 2.527 . 0 0 "[ . 1 . 2]" 1
712 1 99 ASP HA 1 102 ARG QB 2.830 . 3.830 2.635 2.361 3.196 . 0 0 "[ . 1 . 2]" 1
713 1 19 GLU HA 1 22 THR HB 5.000 . 6.000 3.477 2.634 4.842 . 0 0 "[ . 1 . 2]" 1
714 1 19 GLU HA 1 19 GLU QB 2.330 . 3.330 2.487 2.179 2.546 . 0 0 "[ . 1 . 2]" 1
715 1 19 GLU HA 1 22 THR HG1 3.840 . 4.840 4.184 2.680 4.788 . 0 0 "[ . 1 . 2]" 1
716 1 51 LYS HA 1 51 LYS QB 2.210 . 3.210 2.165 2.152 2.181 . 0 0 "[ . 1 . 2]" 1
717 1 51 LYS HA 1 51 LYS QG 2.990 . 3.990 3.381 3.291 3.443 . 0 0 "[ . 1 . 2]" 1
718 1 46 ILE HA 1 46 ILE QG 3.060 . 4.060 3.005 2.417 3.272 . 0 0 "[ . 1 . 2]" 1
719 1 12 LEU HA 1 12 LEU MD1 2.380 . 3.380 3.194 1.935 3.437 0.057 19 0 "[ . 1 . 2]" 1
720 1 41 PHE QD 1 42 LEU HA 4.430 . 5.430 3.560 3.314 3.737 . 0 0 "[ . 1 . 2]" 1
721 1 42 LEU HA 1 46 ILE HB 3.150 . 4.150 3.749 3.152 4.183 0.033 16 0 "[ . 1 . 2]" 1
722 1 42 LEU HA 1 48 ILE MD 4.320 . 5.320 3.941 3.297 5.081 . 0 0 "[ . 1 . 2]" 1
723 1 42 LEU HA 1 42 LEU MD1 3.000 . 4.000 3.556 2.337 3.840 . 0 0 "[ . 1 . 2]" 1
724 1 42 LEU HA 1 46 ILE MD 4.650 . 5.650 3.477 1.879 4.191 . 0 0 "[ . 1 . 2]" 1
725 1 25 CYS HA 1 66 ILE QG 4.860 . 5.380 3.709 3.216 4.236 . 0 0 "[ . 1 . 2]" 1
726 1 25 CYS HA 1 66 ILE HA 3.150 . 4.150 2.339 2.111 2.559 . 0 0 "[ . 1 . 2]" 1
727 1 25 CYS HA 1 66 ILE HB 4.130 . 5.130 4.247 3.667 5.145 0.015 19 0 "[ . 1 . 2]" 1
728 1 25 CYS HA 1 66 ILE MD 4.200 . 5.200 4.564 2.756 5.194 . 0 0 "[ . 1 . 2]" 1
729 1 25 CYS HA 1 67 ILE MD 4.400 . 5.400 3.979 3.473 4.421 . 0 0 "[ . 1 . 2]" 1
730 1 25 CYS HA 1 26 LEU HA 4.740 . 5.740 4.391 4.346 4.433 . 0 0 "[ . 1 . 2]" 1
731 1 45 GLU HA 1 45 GLU HG2 3.080 . 4.080 2.784 2.348 4.117 0.037 16 0 "[ . 1 . 2]" 1
732 1 45 GLU HA 1 45 GLU QB 2.400 . 3.400 2.375 2.154 2.449 . 0 0 "[ . 1 . 2]" 1
733 1 99 ASP HA 1 102 ARG QD 3.250 . 4.250 3.186 1.819 4.241 . 0 0 "[ . 1 . 2]" 1
734 1 20 LEU HA 1 23 LEU HG 3.110 . 4.110 2.270 1.718 3.464 0.082 15 0 "[ . 1 . 2]" 1
735 1 87 PHE HA 1 87 PHE QE 4.210 . 5.210 4.383 4.213 4.513 . 0 0 "[ . 1 . 2]" 1
736 1 87 PHE HA 1 87 PHE QD 3.300 . 4.300 2.562 2.139 3.003 . 0 0 "[ . 1 . 2]" 1
737 1 52 ASP HA 1 70 ARG QD 3.520 . 4.520 2.558 1.969 3.467 . 0 0 "[ . 1 . 2]" 1
738 1 98 ASN HA 1 98 ASN HB2 2.410 . 3.410 2.313 2.272 2.387 . 0 0 "[ . 1 . 2]" 1
739 1 98 ASN HA 1 101 LYS HB3 3.020 . 4.020 4.069 4.040 4.091 0.071 14 0 "[ . 1 . 2]" 1
740 1 98 ASN HA 1 101 LYS HB2 3.150 . 4.150 2.534 2.489 2.614 . 0 0 "[ . 1 . 2]" 1
741 1 97 ILE QG 1 98 ASN HA 3.680 . 4.680 4.376 3.254 4.881 0.201 20 0 "[ . 1 . 2]" 1
742 1 98 ASN HA 1 101 LYS QG 4.520 . 5.520 3.049 2.538 4.007 . 0 0 "[ . 1 . 2]" 1
743 1 46 ILE MD 1 82 LEU HA 5.000 . 6.000 5.267 4.203 6.009 0.009 16 0 "[ . 1 . 2]" 1
744 1 62 PHE HA 1 104 TYR QD 3.690 . 4.690 2.494 2.095 2.988 . 0 0 "[ . 1 . 2]" 1
745 1 62 PHE HA 1 62 PHE QD 3.370 . 4.370 3.564 3.445 3.723 . 0 0 "[ . 1 . 2]" 1
746 1 62 PHE HA 1 104 TYR HA 3.780 . 4.780 3.751 2.918 4.465 . 0 0 "[ . 1 . 2]" 1
747 1 62 PHE HA 1 104 TYR HB3 4.490 . 5.490 4.697 3.841 5.471 . 0 0 "[ . 1 . 2]" 1
748 1 59 VAL MG1 1 61 ASP HA 4.510 . 5.510 5.378 4.263 5.609 0.099 9 0 "[ . 1 . 2]" 1
749 1 88 GLN HA 1 88 GLN HG3 2.820 . 3.820 3.331 2.907 3.823 0.003 1 0 "[ . 1 . 2]" 1
750 1 14 SER HB3 1 15 ARG HA 4.010 . 5.010 4.782 4.443 5.014 0.004 10 0 "[ . 1 . 2]" 1
751 1 31 ASP HA 1 31 ASP HB3 2.370 . 3.370 2.884 2.413 3.035 . 0 0 "[ . 1 . 2]" 1
752 1 52 ASP HA 1 70 ARG HG2 4.070 . 5.070 3.790 3.261 4.502 . 0 0 "[ . 1 . 2]" 1
753 1 55 LYS HA 1 55 LYS HG3 3.060 . 4.060 3.013 2.369 3.605 . 0 0 "[ . 1 . 2]" 1
754 1 55 LYS HA 1 56 ILE QG 4.510 . 5.510 5.510 3.855 5.623 0.113 13 0 "[ . 1 . 2]" 1
755 1 83 ASN HA 1 93 ARG HA 3.500 . 4.500 3.346 2.705 4.453 . 0 0 "[ . 1 . 2]" 1
756 1 83 ASN HA 1 94 SER HB2 4.360 . 5.360 5.093 4.352 5.734 0.374 12 0 "[ . 1 . 2]" 1
757 1 58 LEU HA 1 58 LEU MD1 3.820 . 4.020 2.239 1.940 3.740 . 0 0 "[ . 1 . 2]" 1
758 1 32 LYS HA 1 32 LYS HB3 2.500 . 3.500 2.606 2.487 2.685 . 0 0 "[ . 1 . 2]" 1
759 1 32 LYS HA 1 32 LYS QG 2.690 . 3.690 2.377 2.207 2.912 . 0 0 "[ . 1 . 2]" 1
760 1 3 LEU HA 1 6 ASN QB 3.980 . 4.980 4.302 3.010 4.987 0.007 4 0 "[ . 1 . 2]" 1
761 1 3 LEU HA 1 3 LEU MD1 2.850 . 3.850 3.079 2.079 3.903 0.053 17 0 "[ . 1 . 2]" 1
762 1 3 LEU HA 1 3 LEU HB2 2.440 . 3.440 2.610 2.362 3.006 . 0 0 "[ . 1 . 2]" 1
763 1 78 MET HA 1 81 ILE HB 2.620 . 3.620 2.547 2.021 2.990 . 0 0 "[ . 1 . 2]" 1
764 1 78 MET HA 1 81 ILE HG12 3.650 . 4.650 3.774 3.293 4.688 0.038 16 0 "[ . 1 . 2]" 1
765 1 78 MET HA 1 81 ILE MD 3.700 . 4.700 4.367 2.893 4.762 0.062 5 0 "[ . 1 . 2]" 1
766 1 82 LEU HA 1 82 LEU MD1 3.480 . 3.820 3.328 2.837 3.857 0.037 13 0 "[ . 1 . 2]" 1
767 1 69 PHE QD 1 75 ALA HA 3.620 . 4.620 2.900 2.270 3.716 . 0 0 "[ . 1 . 2]" 1
768 1 69 PHE QE 1 75 ALA HA 4.240 . 5.240 3.503 2.356 4.982 . 0 0 "[ . 1 . 2]" 1
769 1 69 PHE HB2 1 75 ALA HA 4.630 . 5.630 3.611 2.895 4.176 . 0 0 "[ . 1 . 2]" 1
770 1 75 ALA HA 1 78 MET HB3 3.510 . 4.510 3.559 3.151 3.972 . 0 0 "[ . 1 . 2]" 1
771 1 34 SER HA 1 34 SER HB2 2.450 . 3.450 2.993 2.527 3.030 . 0 0 "[ . 1 . 2]" 1
772 1 86 GLN HA 1 91 VAL HA 2.550 . 3.550 2.273 2.048 2.559 . 0 0 "[ . 1 . 2]" 1
773 1 86 GLN HA 1 91 VAL MG1 3.640 . 4.640 3.849 3.622 4.024 . 0 0 "[ . 1 . 2]" 1
774 1 15 ARG HA 1 20 LEU MD1 3.500 . 4.500 4.388 3.760 4.540 0.040 17 0 "[ . 1 . 2]" 1
775 1 6 ASN HA 1 6 ASN QB 2.370 . 3.370 2.404 2.201 2.536 . 0 0 "[ . 1 . 2]" 1
776 1 6 ASN HA 1 9 LYS QB 2.920 . 3.920 2.889 2.416 3.161 . 0 0 "[ . 1 . 2]" 1
777 1 15 ARG HA 1 15 ARG HG2 2.460 . 3.460 3.061 2.269 3.583 0.123 7 0 "[ . 1 . 2]" 1
778 1 58 LEU HA 1 65 ALA MB 3.500 . 4.500 3.341 2.867 4.113 . 0 0 "[ . 1 . 2]" 1
779 1 76 ALA HA 1 79 LEU HB2 2.870 . 3.870 2.761 2.638 2.833 . 0 0 "[ . 1 . 2]" 1
780 1 76 ALA HA 1 79 LEU MD1 3.220 . 4.220 3.385 2.908 4.052 . 0 0 "[ . 1 . 2]" 1
781 1 75 ALA HA 1 76 ALA HA 4.140 . 5.140 4.602 4.535 4.681 . 0 0 "[ . 1 . 2]" 1
782 1 76 ALA HA 1 79 LEU HG 4.170 . 5.170 4.831 3.812 5.131 . 0 0 "[ . 1 . 2]" 1
783 1 94 SER HA 1 103 TYR QE 5.000 . 6.000 3.002 2.363 4.179 . 0 0 "[ . 1 . 2]" 1
784 1 26 LEU HA 1 94 SER HA 2.960 . 3.960 3.127 1.784 3.364 0.016 20 0 "[ . 1 . 2]" 1
785 1 93 ARG HA 1 94 SER HA 4.630 . 5.630 4.486 4.431 4.571 . 0 0 "[ . 1 . 2]" 1
786 1 94 SER HA 1 95 GLY HA3 4.660 . 5.660 4.239 4.077 4.366 . 0 0 "[ . 1 . 2]" 1
787 1 26 LEU MD1 1 94 SER HA 3.380 . 4.380 4.247 3.772 4.420 0.040 20 0 "[ . 1 . 2]" 1
788 1 60 SER QB 1 63 ASN HA 3.510 . 4.510 4.437 4.184 4.641 0.131 8 0 "[ . 1 . 2]" 1
789 1 60 SER HA 1 63 ASN HA 4.880 . 5.880 2.764 2.462 3.322 . 0 0 "[ . 1 . 2]" 1
790 1 22 THR HB 1 71 ASP HA 3.820 . 4.820 4.602 2.388 4.887 0.067 7 0 "[ . 1 . 2]" 1
791 1 22 THR HA 1 71 ASP HA 4.370 . 5.370 3.532 2.775 4.150 . 0 0 "[ . 1 . 2]" 1
792 1 71 ASP HA 1 71 ASP HB3 2.390 . 3.390 2.984 2.737 3.062 . 0 0 "[ . 1 . 2]" 1
793 1 22 THR HG1 1 71 ASP HA 2.970 . 3.970 4.030 3.935 4.156 0.186 4 0 "[ . 1 . 2]" 1
794 1 90 LYS HA 1 90 LYS QD 2.710 . 3.710 2.528 1.908 3.729 0.019 9 0 "[ . 1 . 2]" 1
795 1 23 LEU HA 1 69 PHE QD 4.590 . 5.590 3.799 3.304 4.181 . 0 0 "[ . 1 . 2]" 1
796 1 23 LEU HA 1 24 ILE HA 4.630 . 5.630 4.482 4.373 4.554 . 0 0 "[ . 1 . 2]" 1
797 1 23 LEU HA 1 68 ILE HA 3.050 . 4.050 2.183 2.024 2.350 . 0 0 "[ . 1 . 2]" 1
798 1 23 LEU HA 1 23 LEU MD1 3.270 . 4.270 3.479 3.195 3.667 . 0 0 "[ . 1 . 2]" 1
799 1 23 LEU HA 1 68 ILE MD 4.650 . 5.650 5.061 4.865 5.189 . 0 0 "[ . 1 . 2]" 1
800 1 26 LEU HA 1 94 SER HB2 4.770 . 5.770 2.649 2.069 4.064 . 0 0 "[ . 1 . 2]" 1
801 1 57 LEU HA 1 57 LEU HG 3.180 . 4.180 2.785 2.480 3.409 . 0 0 "[ . 1 . 2]" 1
802 1 29 LEU HA 1 30 SER HB2 4.290 . 5.290 4.272 3.777 4.672 . 0 0 "[ . 1 . 2]" 1
803 1 49 ASN HA 1 49 ASN QB 2.520 . 3.520 2.268 2.168 2.515 . 0 0 "[ . 1 . 2]" 1
804 1 29 LEU HA 1 30 SER HB3 4.780 . 5.780 5.369 5.016 5.558 . 0 0 "[ . 1 . 2]" 1
805 1 29 LEU HA 1 33 VAL HB 4.070 . 5.070 3.784 2.174 4.761 . 0 0 "[ . 1 . 2]" 1
806 1 29 LEU HA 1 33 VAL MG1 4.520 . 5.520 2.574 1.794 3.553 0.006 10 0 "[ . 1 . 2]" 1
807 1 93 ARG HA 1 93 ARG QG 2.990 . 3.990 3.169 2.433 3.528 . 0 0 "[ . 1 . 2]" 1
808 1 91 VAL MG1 1 93 ARG HA 5.000 . 6.000 4.215 3.498 4.672 . 0 0 "[ . 1 . 2]" 1
809 1 16 ASN HA 1 19 GLU QB 4.500 . 5.500 4.810 4.436 5.527 0.027 17 0 "[ . 1 . 2]" 1
810 1 16 ASN HA 1 17 SER HA 4.300 . 5.300 4.405 4.371 4.484 . 0 0 "[ . 1 . 2]" 1
811 1 58 LEU HA 1 65 ALA HA 2.960 . 3.960 2.723 2.229 3.222 . 0 0 "[ . 1 . 2]" 1
812 1 59 VAL HB 1 65 ALA HA 4.520 . 5.520 3.759 2.361 5.390 . 0 0 "[ . 1 . 2]" 1
813 1 58 LEU MD1 1 65 ALA HA 3.590 . 4.590 3.480 2.456 4.585 . 0 0 "[ . 1 . 2]" 1
814 1 59 VAL MG1 1 65 ALA HA 3.570 . 4.570 4.435 3.824 4.622 0.052 4 0 "[ . 1 . 2]" 1
815 1 12 LEU HA 1 13 ALA HA 4.570 . 5.570 4.703 4.603 4.760 . 0 0 "[ . 1 . 2]" 1
816 1 12 LEU HB3 1 13 ALA HA 4.550 . 5.550 3.983 3.766 4.250 . 0 0 "[ . 1 . 2]" 1
817 1 28 PRO HD3 1 83 ASN HD22 5.000 . 6.000 3.984 2.571 4.625 . 0 0 "[ . 1 . 2]" 1
818 1 28 PRO HD2 1 29 LEU QB 4.750 . 5.750 3.835 3.230 4.234 . 0 0 "[ . 1 . 2]" 1
819 1 28 PRO HD2 1 83 ASN HD22 5.000 . 6.000 5.271 3.817 6.043 0.043 13 0 "[ . 1 . 2]" 1
820 1 20 LEU HA 1 23 LEU HB3 4.790 . 5.790 4.813 4.127 5.820 0.030 16 0 "[ . 1 . 2]" 1
821 1 23 LEU HB3 1 23 LEU MD1 3.320 . 4.320 3.116 3.046 3.176 . 0 0 "[ . 1 . 2]" 1
822 1 23 LEU HB3 1 68 ILE MD 4.570 . 5.570 3.269 3.106 3.768 . 0 0 "[ . 1 . 2]" 1
823 1 20 LEU HA 1 23 LEU HB2 4.920 . 5.920 4.892 4.527 5.502 . 0 0 "[ . 1 . 2]" 1
824 1 23 LEU HB2 1 68 ILE HA 4.210 . 5.210 2.727 2.561 2.865 . 0 0 "[ . 1 . 2]" 1
825 1 23 LEU HB2 1 68 ILE MD 4.550 . 5.550 4.005 3.433 4.550 . 0 0 "[ . 1 . 2]" 1
826 1 95 GLY HA2 1 103 TYR QE 4.930 . 5.930 4.598 3.636 5.046 . 0 0 "[ . 1 . 2]" 1
827 1 95 GLY HA2 1 99 ASP HB3 3.870 . 4.870 3.595 3.383 3.883 . 0 0 "[ . 1 . 2]" 1
828 1 95 GLY HA2 1 99 ASP HB2 4.050 . 5.050 3.884 3.342 4.393 . 0 0 "[ . 1 . 2]" 1
829 1 79 LEU MD1 1 95 GLY HA2 3.720 . 4.720 2.084 1.948 2.244 . 0 0 "[ . 1 . 2]" 1
830 1 95 GLY HA2 1 96 THR HG1 5.000 . 6.000 5.959 5.537 6.071 0.071 17 0 "[ . 1 . 2]" 1
831 1 95 GLY HA3 1 103 TYR QE 4.520 . 5.520 3.466 2.288 4.227 . 0 0 "[ . 1 . 2]" 1
832 1 79 LEU HG 1 95 GLY HA3 4.930 . 5.930 5.407 4.931 5.693 . 0 0 "[ . 1 . 2]" 1
833 1 95 GLY HA3 1 99 ASP HB2 4.240 . 5.240 2.736 1.956 3.126 . 0 0 "[ . 1 . 2]" 1
834 1 79 LEU MD1 1 95 GLY HA3 3.430 . 4.430 3.456 3.315 3.618 . 0 0 "[ . 1 . 2]" 1
835 1 95 GLY HA3 1 99 ASP HB3 4.080 . 5.080 1.987 1.808 2.261 . 0 0 "[ . 1 . 2]" 1
836 1 95 GLY HA3 1 96 THR HG1 5.000 . 6.000 5.951 5.512 6.055 0.055 10 0 "[ . 1 . 2]" 1
837 1 29 LEU MD1 1 64 GLY HA2 3.970 . 4.970 3.019 1.962 3.915 . 0 0 "[ . 1 . 2]" 1
838 1 64 GLY HA2 1 65 ALA MB 4.670 . 5.670 3.836 3.741 3.993 . 0 0 "[ . 1 . 2]" 1
839 1 83 ASN HB2 1 84 GLY HA2 4.930 . 5.930 5.619 5.143 5.943 0.013 9 0 "[ . 1 . 2]" 1
840 1 29 LEU HG 1 64 GLY HA3 4.460 . 5.460 5.307 4.071 5.512 0.052 5 0 "[ . 1 . 2]" 1
841 1 64 GLY HA3 1 65 ALA MB 4.870 . 5.870 4.399 4.210 4.796 . 0 0 "[ . 1 . 2]" 1
842 1 63 ASN HB3 1 64 GLY HA3 4.170 . 5.170 5.133 4.871 5.256 0.086 8 0 "[ . 1 . 2]" 1
843 1 29 LEU MD1 1 64 GLY HA3 4.210 . 5.210 4.110 3.252 5.290 0.080 1 0 "[ . 1 . 2]" 1
844 1 89 GLY HA2 1 90 LYS HA 4.630 . 5.630 4.449 4.348 4.526 . 0 0 "[ . 1 . 2]" 1
845 1 89 GLY HA2 1 90 LYS QD 4.390 . 5.390 4.941 4.246 5.398 0.008 4 0 "[ . 1 . 2]" 1
846 1 89 GLY HA3 1 90 LYS HA 4.810 . 5.810 4.579 4.518 4.669 . 0 0 "[ . 1 . 2]" 1
847 1 29 LEU QB 1 33 VAL MG1 3.940 . 4.940 2.794 1.957 4.285 . 0 0 "[ . 1 . 2]" 1
848 1 70 ARG HA 1 71 ASP HB3 4.690 . 5.690 5.309 4.449 5.675 . 0 0 "[ . 1 . 2]" 1
849 1 70 ARG QB 1 71 ASP HB3 4.830 . 5.830 3.906 3.152 4.443 . 0 0 "[ . 1 . 2]" 1
850 1 15 ARG HB3 1 15 ARG QD 3.080 . 4.080 2.847 2.175 3.475 . 0 0 "[ . 1 . 2]" 1
851 1 15 ARG HA 1 15 ARG QD 3.250 . 4.250 3.145 1.846 4.072 . 0 0 "[ . 1 . 2]" 1
852 1 98 ASN HB2 1 102 ARG QD 3.670 . 4.670 4.659 4.470 4.704 0.034 2 0 "[ . 1 . 2]" 1
853 1 54 ARG QD 1 70 ARG QB 3.770 . 4.770 3.938 3.108 4.631 . 0 0 "[ . 1 . 2]" 1
854 1 54 ARG HB3 1 54 ARG QD 2.730 . 3.730 2.861 2.378 3.257 . 0 0 "[ . 1 . 2]" 1
855 1 54 ARG QD 1 68 ILE QG 3.310 . 4.310 4.327 4.240 4.445 0.135 5 0 "[ . 1 . 2]" 1
856 1 93 ARG HD3 1 103 TYR QE 4.860 . 5.860 4.086 2.876 5.262 . 0 0 "[ . 1 . 2]" 1
857 1 93 ARG HA 1 93 ARG HD3 3.770 . 4.770 4.309 2.798 4.843 0.073 11 0 "[ . 1 . 2]" 1
858 1 83 ASN HD22 1 93 ARG HD2 4.740 . 5.740 5.675 5.089 5.778 0.038 10 0 "[ . 1 . 2]" 1
859 1 91 VAL MG1 1 93 ARG HD2 5.000 . 6.000 4.066 2.440 5.427 . 0 0 "[ . 1 . 2]" 1
860 1 93 ARG HD2 1 103 TYR QD 4.890 . 5.890 5.304 3.914 5.922 0.032 12 0 "[ . 1 . 2]" 1
861 1 93 ARG HD2 1 103 TYR QE 4.620 . 5.620 4.614 3.572 5.622 0.002 9 0 "[ . 1 . 2]" 1
862 1 93 ARG HB3 1 93 ARG HD2 3.650 . 4.650 2.934 2.222 3.931 . 0 0 "[ . 1 . 2]" 1
863 1 7 GLU HA 1 10 ARG QD 5.000 . 6.000 3.910 2.639 5.539 . 0 0 "[ . 1 . 2]" 1
864 1 10 ARG HA 1 10 ARG QD 4.200 . 5.200 3.559 2.071 4.206 . 0 0 "[ . 1 . 2]" 1
865 1 10 ARG HB2 1 10 ARG QD 3.430 . 4.430 3.045 2.331 3.514 . 0 0 "[ . 1 . 2]" 1
866 1 93 ARG HB3 1 93 ARG HD3 3.660 . 4.660 3.609 3.270 3.772 . 0 0 "[ . 1 . 2]" 1
867 1 93 ARG HA 1 93 ARG HD2 3.760 . 4.760 3.484 1.939 4.195 . 0 0 "[ . 1 . 2]" 1
868 1 24 ILE HB 1 79 LEU HA 4.800 . 5.800 5.770 5.252 5.880 0.080 6 0 "[ . 1 . 2]" 1
869 1 34 SER HB2 1 37 LEU HB3 4.230 . 5.230 3.881 3.443 5.262 0.032 1 0 "[ . 1 . 2]" 1
870 1 37 LEU HB2 1 37 LEU MD1 2.900 . 3.900 2.416 2.263 3.153 . 0 0 "[ . 1 . 2]" 1
871 1 3 LEU HB3 1 3 LEU MD1 3.090 . 4.090 2.735 2.184 3.197 . 0 0 "[ . 1 . 2]" 1
872 1 3 LEU HB2 1 6 ASN QB 4.690 . 5.690 3.555 2.173 5.394 . 0 0 "[ . 1 . 2]" 1
873 1 79 LEU HA 1 82 LEU HB2 4.890 . 5.890 4.723 3.136 5.754 . 0 0 "[ . 1 . 2]" 1
874 1 82 LEU HB2 1 82 LEU MD1 3.460 . 4.460 2.890 2.043 3.192 . 0 0 "[ . 1 . 2]" 1
875 1 69 PHE HB3 1 74 PHE QD 4.520 . 5.520 3.041 2.184 4.348 . 0 0 "[ . 1 . 2]" 1
876 1 69 PHE HB2 1 74 PHE QD 4.890 . 5.890 2.889 2.229 4.113 . 0 0 "[ . 1 . 2]" 1
877 1 73 LYS HB3 1 73 LYS QE 2.950 . 3.950 3.463 2.641 4.011 0.061 11 0 "[ . 1 . 2]" 1
878 1 18 LYS QD 1 18 LYS QE 2.050 . 3.050 2.071 2.007 2.095 . 0 0 "[ . 1 . 2]" 1
879 1 18 LYS QE 1 22 THR HG1 4.020 . 5.020 4.504 3.798 5.031 0.011 4 0 "[ . 1 . 2]" 1
880 1 10 ARG QD 1 11 LEU QD 4.360 . 5.360 4.095 2.177 5.379 0.019 1 0 "[ . 1 . 2]" 1
881 1 51 LYS QE 1 70 ARG QD 3.070 . 4.070 3.539 2.491 4.093 0.023 10 0 "[ . 1 . 2]" 1
882 1 51 LYS QE 1 52 ASP HB3 2.620 . 3.620 3.667 3.610 3.700 0.080 20 0 "[ . 1 . 2]" 1
883 1 51 LYS QD 1 51 LYS QE 2.070 . 3.070 2.073 2.009 2.096 . 0 0 "[ . 1 . 2]" 1
884 1 55 LYS HA 1 55 LYS QE 4.790 . 5.790 4.095 2.801 4.924 . 0 0 "[ . 1 . 2]" 1
885 1 77 LYS QE 1 77 LYS HG2 3.350 . 4.350 3.233 2.459 3.532 . 0 0 "[ . 1 . 2]" 1
886 1 52 ASP HB3 1 70 ARG QD 4.860 . 5.860 4.954 4.451 5.863 0.003 18 0 "[ . 1 . 2]" 1
887 1 48 ILE QG 1 52 ASP HB2 4.170 . 5.170 4.194 3.486 4.955 . 0 0 "[ . 1 . 2]" 1
888 1 11 LEU HB3 1 11 LEU QD 2.940 . 3.940 2.118 2.050 2.307 . 0 0 "[ . 1 . 2]" 1
889 1 2 PHE QB 1 3 LEU HB3 4.470 . 5.470 5.058 4.308 5.543 0.073 13 0 "[ . 1 . 2]" 1
890 1 28 PRO HD3 1 92 ILE HB 5.000 . 6.000 4.943 4.567 5.173 . 0 0 "[ . 1 . 2]" 1
891 1 65 ALA HA 1 66 ILE HB 4.730 . 5.730 4.523 4.256 4.700 . 0 0 "[ . 1 . 2]" 1
892 1 8 VAL HA 1 11 LEU HB2 4.320 . 5.320 2.412 2.090 2.814 . 0 0 "[ . 1 . 2]" 1
893 1 55 LYS QE 1 55 LYS HG2 3.330 . 4.330 2.546 2.216 3.430 . 0 0 "[ . 1 . 2]" 1
894 1 55 LYS QE 1 57 LEU QD 4.160 . 5.160 3.011 1.755 4.253 0.045 2 0 "[ . 1 . 2]" 1
895 1 55 LYS HE2 1 57 LEU QD 4.190 . 5.190 3.560 1.851 4.845 . 0 0 "[ . 1 . 2]" 1
896 1 87 PHE HB3 1 88 GLN HG2 4.150 . 5.150 4.461 2.531 5.160 0.010 13 0 "[ . 1 . 2]" 1
897 1 87 PHE HB2 1 88 GLN HG3 5.000 . 6.000 5.015 4.244 6.007 0.007 10 0 "[ . 1 . 2]" 1
898 1 58 LEU HB2 1 58 LEU MD1 3.220 . 4.050 2.895 2.133 3.202 . 0 0 "[ . 1 . 2]" 1
899 1 49 ASN QB 1 50 GLU QG 4.370 . 5.370 3.193 2.588 4.973 . 0 0 "[ . 1 . 2]" 1
900 1 49 ASN QB 1 51 LYS QB 4.000 . 5.000 4.530 3.780 5.042 0.042 9 0 "[ . 1 . 2]" 1
901 1 49 ASN QB 1 51 LYS QD 4.760 . 5.760 4.575 1.823 5.802 0.042 11 0 "[ . 1 . 2]" 1
902 1 49 ASN QB 1 51 LYS QG 3.560 . 4.560 3.099 1.839 3.913 . 0 0 "[ . 1 . 2]" 1
903 1 48 ILE QG 1 49 ASN QB 4.840 . 5.840 5.712 5.447 5.888 0.048 7 0 "[ . 1 . 2]" 1
904 1 55 LYS HA 1 56 ILE HB 5.000 . 6.000 4.600 4.467 4.733 . 0 0 "[ . 1 . 2]" 1
905 1 56 ILE HB 1 67 ILE QG 5.000 . 6.000 2.827 2.311 4.399 . 0 0 "[ . 1 . 2]" 1
906 1 41 PHE HB2 1 45 GLU QB 4.660 . 5.660 5.688 5.632 5.715 0.055 2 0 "[ . 1 . 2]" 1
907 1 73 LYS HB2 1 74 PHE HB3 4.400 . 5.400 5.128 4.667 5.469 0.069 9 0 "[ . 1 . 2]" 1
908 1 61 ASP QB 1 62 PHE QD 5.000 . 6.000 3.369 3.046 3.589 . 0 0 "[ . 1 . 2]" 1
909 1 59 VAL MG1 1 61 ASP QB 4.720 . 5.720 3.691 2.250 4.596 . 0 0 "[ . 1 . 2]" 1
910 1 41 PHE HB3 1 45 GLU QB 5.000 . 6.000 5.778 5.142 6.017 0.017 12 0 "[ . 1 . 2]" 1
911 1 62 PHE QD 1 104 TYR HB3 4.930 . 5.930 4.124 3.260 5.067 . 0 0 "[ . 1 . 2]" 1
912 1 48 ILE HB 1 53 ILE MD 4.930 . 5.930 3.950 3.380 5.665 . 0 0 "[ . 1 . 2]" 1
913 1 67 ILE HB 1 69 PHE QE 4.560 . 5.560 3.441 2.601 4.681 . 0 0 "[ . 1 . 2]" 1
914 1 79 LEU MD1 1 83 ASN HB3 5.000 . 6.000 5.003 3.937 6.005 0.005 18 0 "[ . 1 . 2]" 1
915 1 83 ASN HB3 1 94 SER HB3 4.870 . 5.870 3.131 1.796 5.887 0.017 13 0 "[ . 1 . 2]" 1
916 1 16 ASN HB3 1 20 LEU MD1 5.000 . 6.000 5.040 4.027 6.001 0.001 15 0 "[ . 1 . 2]" 1
917 1 16 ASN HB3 1 19 GLU QB 3.430 . 4.430 2.734 2.121 3.717 . 0 0 "[ . 1 . 2]" 1
918 1 5 ARG QB 1 6 ASN QB 3.940 . 4.940 4.328 3.850 4.752 . 0 0 "[ . 1 . 2]" 1
919 1 16 ASN HB2 1 19 GLU QB 3.460 . 4.460 4.024 3.061 4.481 0.021 1 0 "[ . 1 . 2]" 1
920 1 43 GLN HA 1 48 ILE HB 4.750 . 5.750 3.199 2.556 5.754 0.004 17 0 "[ . 1 . 2]" 1
921 1 78 MET HB2 1 81 ILE HB 4.380 . 5.380 5.003 4.434 5.406 0.026 6 0 "[ . 1 . 2]" 1
922 1 29 LEU MD1 1 63 ASN HB3 4.950 . 5.950 2.304 1.766 4.481 0.034 16 0 "[ . 1 . 2]" 1
923 1 3 LEU HB3 1 6 ASN QB 3.860 . 4.860 3.023 2.056 4.631 . 0 0 "[ . 1 . 2]" 1
924 1 3 LEU MD1 1 6 ASN QB 5.000 . 6.000 4.152 2.600 5.998 . 0 0 "[ . 1 . 2]" 1
925 1 97 ILE QG 1 98 ASN HB3 5.000 . 6.000 3.945 3.075 4.774 . 0 0 "[ . 1 . 2]" 1
926 1 97 ILE QG 1 98 ASN HB2 4.770 . 5.770 4.282 3.222 5.144 . 0 0 "[ . 1 . 2]" 1
927 1 38 ILE HB 1 42 LEU MD1 4.440 . 5.440 4.741 2.324 5.422 . 0 0 "[ . 1 . 2]" 1
928 1 4 GLU HA 1 4 GLU QG 2.810 . 3.810 2.724 2.201 3.476 . 0 0 "[ . 1 . 2]" 1
929 1 4 GLU QB 1 4 GLU QG 2.080 . 3.080 2.059 1.976 2.088 . 0 0 "[ . 1 . 2]" 1
930 1 4 GLU QG 1 5 ARG QG 4.400 . 5.400 4.128 2.137 5.432 0.032 13 0 "[ . 1 . 2]" 1
931 1 4 GLU QG 1 57 LEU QD 3.750 . 4.750 2.880 1.843 4.244 . 0 0 "[ . 1 . 2]" 1
932 1 4 GLU QG 1 8 VAL MG1 4.830 . 5.830 5.827 5.628 5.912 0.082 19 0 "[ . 1 . 2]" 1
933 1 18 LYS HA 1 21 GLU HG3 3.590 . 4.590 3.373 2.263 4.542 . 0 0 "[ . 1 . 2]" 1
934 1 21 GLU HG3 1 72 SER HB2 4.150 . 5.150 2.718 1.794 4.146 0.006 17 0 "[ . 1 . 2]" 1
935 1 21 GLU HG3 1 22 THR HG1 4.330 . 5.330 3.834 2.252 5.343 0.013 10 0 "[ . 1 . 2]" 1
936 1 18 LYS HA 1 21 GLU HG2 3.670 . 4.670 2.224 1.856 3.182 . 0 0 "[ . 1 . 2]" 1
937 1 21 GLU HG2 1 72 SER HB3 4.200 . 5.200 4.329 2.570 5.218 0.018 4 0 "[ . 1 . 2]" 1
938 1 21 GLU HG2 1 72 SER HB2 4.480 . 5.480 4.105 3.364 4.803 . 0 0 "[ . 1 . 2]" 1
939 1 21 GLU HG2 1 22 THR HG1 4.260 . 5.260 4.080 2.655 5.326 0.066 9 0 "[ . 1 . 2]" 1
940 1 41 PHE QD 1 45 GLU HG3 3.590 . 4.590 3.045 2.353 4.352 . 0 0 "[ . 1 . 2]" 1
941 1 41 PHE HA 1 45 GLU HG3 3.980 . 4.980 4.573 4.214 4.975 . 0 0 "[ . 1 . 2]" 1
942 1 45 GLU HA 1 45 GLU HG3 3.460 . 4.460 3.728 3.588 3.821 . 0 0 "[ . 1 . 2]" 1
943 1 41 PHE HB3 1 45 GLU HG3 4.730 . 5.730 5.748 5.709 5.774 0.044 19 0 "[ . 1 . 2]" 1
944 1 44 GLU QB 1 45 GLU HG3 3.660 . 4.660 3.805 3.267 4.265 . 0 0 "[ . 1 . 2]" 1
945 1 45 GLU HG3 1 46 ILE MD 4.980 . 5.980 4.798 3.356 5.594 . 0 0 "[ . 1 . 2]" 1
946 1 41 PHE QD 1 45 GLU HG2 3.570 . 4.570 3.392 2.835 3.936 . 0 0 "[ . 1 . 2]" 1
947 1 45 GLU HG2 1 46 ILE MD 5.000 . 6.000 5.373 4.105 6.007 0.007 14 0 "[ . 1 . 2]" 1
948 1 19 GLU HA 1 19 GLU HG3 3.150 . 4.150 2.547 2.051 3.813 . 0 0 "[ . 1 . 2]" 1
949 1 19 GLU HA 1 19 GLU HG2 3.240 . 4.240 3.320 2.402 3.769 . 0 0 "[ . 1 . 2]" 1
950 1 16 ASN HB3 1 19 GLU HG2 4.250 . 5.250 4.056 2.349 4.964 . 0 0 "[ . 1 . 2]" 1
951 1 11 LEU QD 1 19 GLU HG2 4.130 . 5.130 3.154 2.236 5.041 . 0 0 "[ . 1 . 2]" 1
952 1 55 LYS HB3 1 55 LYS QE 4.210 . 5.210 3.887 3.100 4.090 . 0 0 "[ . 1 . 2]" 1
953 1 55 LYS HB3 1 57 LEU QD 3.950 . 4.950 3.117 2.369 4.610 . 0 0 "[ . 1 . 2]" 1
954 1 55 LYS HB3 1 68 ILE MD 3.670 . 4.670 3.001 1.917 4.676 0.006 5 0 "[ . 1 . 2]" 1
955 1 55 LYS HB2 1 55 LYS QE 4.390 . 5.390 3.747 1.868 4.538 . 0 0 "[ . 1 . 2]" 1
956 1 55 LYS HB2 1 68 ILE MD 3.860 . 4.860 3.288 1.905 4.355 . 0 0 "[ . 1 . 2]" 1
957 1 55 LYS HB2 1 57 LEU QD 4.600 . 5.600 4.174 3.406 4.635 . 0 0 "[ . 1 . 2]" 1
958 1 50 GLU HA 1 50 GLU QG 2.930 . 3.930 3.339 2.781 3.482 . 0 0 "[ . 1 . 2]" 1
959 1 50 GLU QG 1 51 LYS QB 3.200 . 4.200 3.281 2.902 3.626 . 0 0 "[ . 1 . 2]" 1
960 1 7 GLU QG 1 11 LEU HG 3.280 . 4.280 3.420 2.441 4.303 0.023 5 0 "[ . 1 . 2]" 1
961 1 50 GLU QG 1 51 LYS QG 3.480 . 4.480 3.608 2.779 4.498 0.018 17 0 "[ . 1 . 2]" 1
962 1 7 GLU QG 1 11 LEU QD 3.280 . 4.280 2.944 1.861 3.863 . 0 0 "[ . 1 . 2]" 1
963 1 7 GLU HA 1 7 GLU QG 3.300 . 4.300 2.294 2.057 2.582 . 0 0 "[ . 1 . 2]" 1
964 1 90 LYS HB3 1 90 LYS QD 3.100 . 4.100 3.066 2.216 3.483 . 0 0 "[ . 1 . 2]" 1
965 1 90 LYS HB3 1 90 LYS QE 4.670 . 5.670 3.566 2.046 4.480 . 0 0 "[ . 1 . 2]" 1
966 1 90 LYS HB2 1 90 LYS QE 4.550 . 5.550 3.178 2.029 4.308 . 0 0 "[ . 1 . 2]" 1
967 1 46 ILE HB 1 48 ILE MD 4.510 . 5.510 2.055 1.764 2.628 0.036 1 0 "[ . 1 . 2]" 1
968 1 40 GLN HA 1 43 GLN HG2 5.000 . 6.000 5.397 4.701 5.859 . 0 0 "[ . 1 . 2]" 1
969 1 28 PRO HB3 1 83 ASN HD22 4.370 . 5.370 2.800 1.798 4.149 0.002 14 0 "[ . 1 . 2]" 1
970 1 28 PRO HB2 1 83 ASN HD22 4.690 . 5.690 4.442 3.463 5.701 0.011 13 0 "[ . 1 . 2]" 1
971 1 86 GLN HA 1 86 GLN HG3 3.300 . 4.300 2.758 2.073 3.172 . 0 0 "[ . 1 . 2]" 1
972 1 86 GLN HB3 1 86 GLN HG3 2.450 . 3.450 2.974 2.759 3.011 . 0 0 "[ . 1 . 2]" 1
973 1 86 GLN HG3 1 91 VAL MG1 3.590 . 4.590 3.733 3.120 4.269 . 0 0 "[ . 1 . 2]" 1
974 1 86 GLN HG2 1 91 VAL HA 3.560 . 4.560 3.240 2.203 4.569 0.009 12 0 "[ . 1 . 2]" 1
975 1 86 GLN HB2 1 86 GLN HG2 2.290 . 3.290 2.976 2.754 3.013 . 0 0 "[ . 1 . 2]" 1
976 1 86 GLN HA 1 86 GLN HG2 3.160 . 4.160 2.470 2.099 3.338 . 0 0 "[ . 1 . 2]" 1
977 1 37 LEU MD1 1 40 GLN HG3 5.000 . 6.000 5.889 5.580 6.012 0.012 6 0 "[ . 1 . 2]" 1
978 1 37 LEU HA 1 40 GLN HG3 4.540 . 5.540 3.348 2.831 5.147 . 0 0 "[ . 1 . 2]" 1
979 1 40 GLN HA 1 40 GLN HG3 3.320 . 4.320 3.664 2.295 3.827 . 0 0 "[ . 1 . 2]" 1
980 1 40 GLN QB 1 40 GLN HG3 2.480 . 3.480 2.169 2.140 2.419 . 0 0 "[ . 1 . 2]" 1
981 1 40 GLN HA 1 40 GLN HG2 3.390 . 4.390 3.340 3.188 3.580 . 0 0 "[ . 1 . 2]" 1
982 1 40 GLN QB 1 40 GLN HG2 2.410 . 3.410 2.273 2.148 2.332 . 0 0 "[ . 1 . 2]" 1
983 1 37 LEU HA 1 40 GLN HG2 4.650 . 5.650 2.745 2.321 4.167 . 0 0 "[ . 1 . 2]" 1
984 1 37 LEU MD1 1 40 GLN HG2 5.000 . 6.000 5.821 4.393 6.021 0.021 1 0 "[ . 1 . 2]" 1
985 1 87 PHE HA 1 88 GLN HG3 5.000 . 6.000 4.648 4.067 5.815 . 0 0 "[ . 1 . 2]" 1
986 1 88 GLN HA 1 88 GLN HG2 3.370 . 4.370 2.725 2.370 3.869 . 0 0 "[ . 1 . 2]" 1
987 1 79 LEU MD1 1 80 MET HG2 4.770 . 5.770 4.760 3.618 5.700 . 0 0 "[ . 1 . 2]" 1
988 1 8 VAL HB 1 9 LYS QB 3.600 . 4.600 4.069 3.876 4.241 . 0 0 "[ . 1 . 2]" 1
989 1 29 LEU QB 1 33 VAL HB 3.820 . 4.820 2.849 2.290 3.631 . 0 0 "[ . 1 . 2]" 1
990 1 29 LEU MD1 1 33 VAL HB 3.810 . 4.810 4.472 3.497 4.966 0.156 10 0 "[ . 1 . 2]" 1
991 1 33 VAL HB 1 38 ILE MD 4.940 . 5.940 3.761 2.065 4.925 . 0 0 "[ . 1 . 2]" 1
992 1 35 PRO HB2 1 58 LEU MD1 4.290 . 5.290 4.163 3.296 5.201 . 0 0 "[ . 1 . 2]" 1
993 1 6 ASN QB 1 9 LYS QB 3.800 . 4.800 4.503 4.121 4.824 0.024 13 0 "[ . 1 . 2]" 1
994 1 77 LYS HB3 1 77 LYS QE 4.640 . 5.640 2.693 2.046 4.038 . 0 0 "[ . 1 . 2]" 1
995 1 75 ALA HA 1 78 MET HB2 4.690 . 5.690 4.203 3.102 4.913 . 0 0 "[ . 1 . 2]" 1
996 1 93 ARG HB3 1 103 TYR QE 4.990 . 5.990 4.516 2.053 5.939 . 0 0 "[ . 1 . 2]" 1
997 1 25 CYS HB3 1 96 THR HA 4.590 . 5.590 4.207 2.843 4.957 . 0 0 "[ . 1 . 2]" 1
998 1 25 CYS HB3 1 100 MET QB 4.290 . 5.290 3.279 2.838 4.448 . 0 0 "[ . 1 . 2]" 1
999 1 25 CYS HB3 1 66 ILE MD 5.000 . 6.000 4.484 2.348 5.570 . 0 0 "[ . 1 . 2]" 1
1000 1 25 CYS HB3 1 66 ILE QG 4.810 . 5.810 4.444 2.658 5.432 . 0 0 "[ . 1 . 2]" 1
1001 1 25 CYS HB2 1 66 ILE QG 4.820 . 5.820 5.001 2.697 5.830 0.010 13 0 "[ . 1 . 2]" 1
1002 1 25 CYS HB2 1 66 ILE HA 4.660 . 5.660 4.686 3.410 5.198 . 0 0 "[ . 1 . 2]" 1
1003 1 5 ARG HA 1 8 VAL HB 3.440 . 4.440 2.589 2.285 3.294 . 0 0 "[ . 1 . 2]" 1
1004 1 93 ARG HB2 1 103 TYR QE 4.910 . 5.910 3.947 2.564 5.175 . 0 0 "[ . 1 . 2]" 1
1005 1 73 LYS HB2 1 73 LYS QE 4.610 . 5.610 2.634 2.047 4.062 . 0 0 "[ . 1 . 2]" 1
1006 1 54 ARG HB3 1 68 ILE QG 3.750 . 4.750 4.639 4.099 4.840 0.090 5 0 "[ . 1 . 2]" 1
1007 1 54 ARG HB2 1 68 ILE QG 3.810 . 4.810 4.186 3.886 4.546 . 0 0 "[ . 1 . 2]" 1
1008 1 14 SER HA 1 15 ARG HB3 3.700 . 4.700 4.709 4.230 4.799 0.099 20 0 "[ . 1 . 2]" 1
1009 1 11 LEU QD 1 19 GLU QB 3.790 . 4.790 3.342 2.727 4.304 . 0 0 "[ . 1 . 2]" 1
1010 1 10 ARG HB3 1 11 LEU QD 4.680 . 5.680 4.259 2.794 4.701 . 0 0 "[ . 1 . 2]" 1
1011 1 5 ARG QB 1 5 ARG QD 2.640 . 3.640 2.215 1.935 2.477 . 0 0 "[ . 1 . 2]" 1
1012 1 15 ARG HB2 1 15 ARG QD 3.510 . 4.510 2.813 2.118 3.469 . 0 0 "[ . 1 . 2]" 1
1013 1 21 GLU QB 1 72 SER HB3 3.960 . 4.960 3.293 1.949 4.760 . 0 0 "[ . 1 . 2]" 1
1014 1 7 GLU QB 1 11 LEU QD 4.360 . 5.360 2.984 2.229 3.839 . 0 0 "[ . 1 . 2]" 1
1015 1 45 GLU QB 1 46 ILE HG13 4.360 . 5.360 4.215 2.903 5.372 0.012 16 0 "[ . 1 . 2]" 1
1016 1 41 PHE QD 1 45 GLU QB 3.670 . 4.670 3.991 3.709 4.119 . 0 0 "[ . 1 . 2]" 1
1017 1 9 LYS HA 1 9 LYS QD 3.900 . 4.900 3.554 2.343 4.245 . 0 0 "[ . 1 . 2]" 1
1018 1 77 LYS HA 1 77 LYS HD3 4.310 . 5.310 4.350 3.650 4.917 . 0 0 "[ . 1 . 2]" 1
1019 1 21 GLU QB 1 72 SER HB2 3.460 . 4.460 2.566 1.780 3.902 0.020 6 0 "[ . 1 . 2]" 1
1020 1 35 PRO QG 1 58 LEU HB3 4.440 . 5.440 4.474 3.265 5.454 0.014 3 0 "[ . 1 . 2]" 1
1021 1 4 GLU QB 1 5 ARG QG 2.980 . 3.980 3.576 2.989 3.986 0.006 7 0 "[ . 1 . 2]" 1
1022 1 29 LEU HA 1 38 ILE HG13 3.870 . 4.870 4.569 4.133 4.894 0.024 9 0 "[ . 1 . 2]" 1
1023 1 29 LEU QB 1 38 ILE HG13 2.490 . 3.490 3.277 2.521 3.567 0.077 17 0 "[ . 1 . 2]" 1
1024 1 18 LYS QD 1 22 THR HG1 4.690 . 5.690 5.372 4.040 5.716 0.026 12 0 "[ . 1 . 2]" 1
1025 1 38 ILE HG13 1 65 ALA MB 4.270 . 5.270 4.661 4.357 5.203 . 0 0 "[ . 1 . 2]" 1
1026 1 55 LYS HA 1 55 LYS QD 3.450 . 4.450 3.309 1.984 4.149 . 0 0 "[ . 1 . 2]" 1
1027 1 51 LYS QD 1 51 LYS QG 2.330 . 3.330 2.031 2.003 2.065 . 0 0 "[ . 1 . 2]" 1
1028 1 55 LYS QD 1 57 LEU QD 3.290 . 4.290 2.267 1.885 3.046 . 0 0 "[ . 1 . 2]" 1
1029 1 55 LYS QD 1 57 LEU HG 3.100 . 4.100 3.346 2.211 4.105 0.005 7 0 "[ . 1 . 2]" 1
1030 1 78 MET HA 1 81 ILE HG13 4.050 . 5.050 3.906 3.051 4.620 . 0 0 "[ . 1 . 2]" 1
1031 1 77 LYS HA 1 77 LYS HD2 4.300 . 5.300 3.840 2.195 4.591 . 0 0 "[ . 1 . 2]" 1
1032 1 32 LYS HB2 1 32 LYS QD 2.320 . 3.320 2.533 2.202 3.312 . 0 0 "[ . 1 . 2]" 1
1033 1 80 MET QB 1 81 ILE HG12 4.760 . 5.760 3.531 3.149 4.497 . 0 0 "[ . 1 . 2]" 1
1034 1 33 VAL MG1 1 38 ILE HG12 4.430 . 5.430 5.318 4.706 5.484 0.054 15 0 "[ . 1 . 2]" 1
1035 1 37 LEU MD1 1 40 GLN QB 4.620 . 5.620 5.254 3.441 5.602 . 0 0 "[ . 1 . 2]" 1
1036 1 35 PRO QG 1 58 LEU MD1 5.000 . 6.000 4.215 3.215 5.346 . 0 0 "[ . 1 . 2]" 1
1037 1 18 LYS QB 1 18 LYS QD 2.550 . 3.550 2.145 2.053 2.370 . 0 0 "[ . 1 . 2]" 1
1038 1 56 ILE QG 1 67 ILE QG 5.000 . 5.650 2.411 1.993 2.823 . 0 0 "[ . 1 . 2]" 1
1039 1 20 LEU HA 1 23 LEU MD1 3.310 . 4.310 2.411 2.042 2.704 . 0 0 "[ . 1 . 2]" 1
1040 1 11 LEU HA 1 23 LEU MD1 4.460 . 5.460 5.446 5.223 5.520 0.060 8 0 "[ . 1 . 2]" 1
1041 1 23 LEU HB2 1 23 LEU MD1 3.090 . 4.090 2.147 1.979 2.324 . 0 0 "[ . 1 . 2]" 1
1042 1 11 LEU QD 1 23 LEU MD1 2.500 . 3.500 3.037 2.785 3.457 . 0 0 "[ . 1 . 2]" 1
1043 1 37 LEU HA 1 37 LEU HG 3.600 . 4.600 3.007 2.533 3.663 . 0 0 "[ . 1 . 2]" 1
1044 1 69 PHE HB2 1 70 ARG HG3 3.860 . 4.860 4.865 4.696 4.915 0.055 12 0 "[ . 1 . 2]" 1
1045 1 54 ARG HA 1 70 ARG HG2 3.520 . 4.520 4.602 4.557 4.649 0.129 5 0 "[ . 1 . 2]" 1
1046 1 54 ARG QD 1 70 ARG HG2 3.130 . 4.130 3.393 2.349 4.159 0.029 19 0 "[ . 1 . 2]" 1
1047 1 56 ILE QG 1 57 LEU QD 4.030 . 5.030 4.194 3.955 4.647 . 0 0 "[ . 1 . 2]" 1
1048 1 46 ILE HB 1 48 ILE HG13 4.930 . 5.930 3.170 2.302 4.136 . 0 0 "[ . 1 . 2]" 1
1049 1 23 LEU MD1 1 68 ILE QG 3.130 . 4.130 3.466 3.176 3.656 . 0 0 "[ . 1 . 2]" 1
1050 1 46 ILE HB 1 48 ILE HG12 4.850 . 5.850 4.006 2.686 4.540 . 0 0 "[ . 1 . 2]" 1
1051 1 41 PHE QD 1 46 ILE HG13 4.880 . 5.880 5.377 4.839 5.846 . 0 0 "[ . 1 . 2]" 1
1052 1 29 LEU HA 1 29 LEU MD1 4.010 . 5.010 3.616 2.406 4.064 . 0 0 "[ . 1 . 2]" 1
1053 1 52 ASP HB2 1 53 ILE QG 4.150 . 5.150 4.993 2.463 5.222 0.072 1 0 "[ . 1 . 2]" 1
1054 1 29 LEU QB 1 29 LEU MD1 2.890 . 3.690 2.145 1.901 2.470 . 0 0 "[ . 1 . 2]" 1
1055 1 29 LEU MD1 1 65 ALA MB 3.190 . 4.190 4.040 2.874 4.243 0.053 18 0 "[ . 1 . 2]" 1
1056 1 41 PHE QD 1 42 LEU HG 4.940 . 5.940 3.308 2.489 4.524 . 0 0 "[ . 1 . 2]" 1
1057 1 8 VAL HA 1 12 LEU HG 5.000 . 6.000 5.046 4.059 6.067 0.067 3 0 "[ . 1 . 2]" 1
1058 1 15 ARG HA 1 15 ARG HG3 3.370 . 4.370 3.038 2.291 4.172 . 0 0 "[ . 1 . 2]" 1
1059 1 29 LEU HG 1 65 ALA MB 4.530 . 5.530 4.541 3.416 5.554 0.024 9 0 "[ . 1 . 2]" 1
1060 1 24 ILE QG 1 69 PHE QE 4.240 . 5.150 3.181 2.002 3.708 . 0 0 "[ . 1 . 2]" 1
1061 1 93 ARG QG 1 94 SER HA 5.000 . 6.000 4.557 3.236 5.948 . 0 0 "[ . 1 . 2]" 1
1062 1 24 ILE QG 1 67 ILE QG 5.000 . 6.000 5.493 5.296 5.767 . 0 0 "[ . 1 . 2]" 1
1063 1 83 ASN HD22 1 92 ILE HG13 5.000 . 6.000 3.897 2.457 5.987 . 0 0 "[ . 1 . 2]" 1
1064 1 39 CYS HA 1 42 LEU MD1 4.250 . 5.250 2.604 2.177 3.035 . 0 0 "[ . 1 . 2]" 1
1065 1 42 LEU MD1 1 67 ILE QG 4.260 . 5.260 3.138 2.458 5.042 . 0 0 "[ . 1 . 2]" 1
1066 1 55 LYS HA 1 57 LEU HG 5.000 . 6.000 5.509 4.856 6.010 0.010 10 0 "[ . 1 . 2]" 1
1067 1 39 CYS HB3 1 56 ILE MD 3.600 . 4.600 4.237 4.080 4.422 . 0 0 "[ . 1 . 2]" 1
1068 1 36 SER HA 1 39 CYS HB2 3.360 . 4.360 3.523 3.208 3.719 . 0 0 "[ . 1 . 2]" 1
1069 1 36 SER QB 1 39 CYS HB2 4.150 . 5.150 5.076 4.761 5.178 0.028 10 0 "[ . 1 . 2]" 1
1070 1 39 CYS HB2 1 56 ILE MD 3.400 . 4.400 3.241 2.932 3.615 . 0 0 "[ . 1 . 2]" 1
1071 1 38 ILE QG 1 39 CYS HB2 4.500 . 5.500 5.569 5.076 5.637 0.137 4 0 "[ . 1 . 2]" 1
1072 1 24 ILE QG 1 67 ILE MD 2.840 . 3.840 3.909 3.811 3.957 0.117 8 0 "[ . 1 . 2]" 1
1073 1 12 LEU MD1 1 62 PHE QD 4.890 . 5.350 3.952 3.352 4.650 . 0 0 "[ . 1 . 2]" 1
1074 1 12 LEU HB2 1 12 LEU MD1 2.940 . 3.940 2.563 2.109 2.891 . 0 0 "[ . 1 . 2]" 1
1075 1 8 VAL HA 1 12 LEU MD1 5.000 . 5.900 4.920 3.087 5.807 . 0 0 "[ . 1 . 2]" 1
1076 1 46 ILE MD 1 82 LEU MD1 4.440 . 5.440 2.259 1.802 3.085 . 0 0 "[ . 1 . 2]" 1
1077 1 82 LEU MD1 1 83 ASN HD22 4.630 . 5.630 4.158 2.472 5.638 0.008 12 0 "[ . 1 . 2]" 1
1078 1 82 LEU MD1 1 94 SER HB2 4.790 . 5.790 5.513 3.970 5.860 0.070 20 0 "[ . 1 . 2]" 1
1079 1 82 LEU HB3 1 82 LEU MD1 2.870 . 3.870 2.283 2.059 3.093 . 0 0 "[ . 1 . 2]" 1
1080 1 9 LYS HA 1 9 LYS HG3 3.710 . 4.710 3.261 2.863 3.631 . 0 0 "[ . 1 . 2]" 1
1081 1 18 LYS QD 1 18 LYS HG3 2.290 . 3.290 2.369 2.285 2.474 . 0 0 "[ . 1 . 2]" 1
1082 1 73 LYS HA 1 73 LYS HG3 3.320 . 4.320 2.660 2.127 3.172 . 0 0 "[ . 1 . 2]" 1
1083 1 73 LYS HA 1 73 LYS HG2 3.270 . 4.270 3.125 2.357 3.663 . 0 0 "[ . 1 . 2]" 1
1084 1 4 GLU QB 1 8 VAL MG1 3.940 . 4.940 4.970 4.744 5.018 0.078 7 0 "[ . 1 . 2]" 1
1085 1 8 VAL HA 1 8 VAL MG1 2.910 . 3.910 2.367 2.178 2.477 . 0 0 "[ . 1 . 2]" 1
1086 1 8 VAL MG1 1 57 LEU HB3 3.620 . 4.620 4.322 3.544 4.635 0.015 2 0 "[ . 1 . 2]" 1
1087 1 8 VAL MG1 1 11 LEU QD 2.970 . 3.970 3.987 3.831 4.025 0.055 2 0 "[ . 1 . 2]" 1
1088 1 34 SER HB2 1 37 LEU MD1 3.130 . 4.130 2.397 2.053 3.860 . 0 0 "[ . 1 . 2]" 1
1089 1 38 ILE MD 1 58 LEU MD1 . . 4.000 2.684 1.912 3.560 . 0 0 "[ . 1 . 2]" 1
1090 1 26 LEU HA 1 26 LEU MD1 . . 4.030 2.278 2.011 4.063 0.033 20 0 "[ . 1 . 2]" 1
1091 1 26 LEU MD1 1 82 LEU HB3 . . 4.660 4.071 3.075 4.706 0.046 19 0 "[ . 1 . 2]" 1
1092 1 26 LEU MD1 1 82 LEU HG 4.730 . 5.730 5.102 3.082 5.742 0.012 15 0 "[ . 1 . 2]" 1
1093 1 26 LEU HB2 1 26 LEU MD1 3.090 . 4.090 2.717 2.082 3.215 . 0 0 "[ . 1 . 2]" 1
1094 1 26 LEU MD1 1 65 ALA MB 3.900 . 4.900 4.279 2.770 4.912 0.012 5 0 "[ . 1 . 2]" 1
1095 1 18 LYS HG3 1 22 THR HG1 3.420 . 4.420 4.239 3.521 4.437 0.017 10 0 "[ . 1 . 2]" 1
1096 1 18 LYS QE 1 18 LYS HG2 3.690 . 4.690 2.553 2.322 3.259 . 0 0 "[ . 1 . 2]" 1
1097 1 90 LYS HA 1 90 LYS QG 3.340 . 4.340 2.563 2.058 3.180 . 0 0 "[ . 1 . 2]" 1
1098 1 8 VAL MG1 1 59 VAL HA 4.030 . 4.720 2.764 1.851 3.755 . 0 0 "[ . 1 . 2]" 1
1099 1 79 LEU HA 1 79 LEU MD1 2.880 . 3.880 3.410 2.676 3.811 . 0 0 "[ . 1 . 2]" 1
1100 1 79 LEU HB3 1 79 LEU MD1 2.420 . 3.420 2.606 2.174 3.038 . 0 0 "[ . 1 . 2]" 1
1101 1 8 VAL MG1 1 57 LEU QD 2.750 . 3.750 3.733 3.492 3.803 0.053 11 0 "[ . 1 . 2]" 1
1102 1 24 ILE HB 1 79 LEU MD1 3.050 . 4.050 2.355 1.922 3.522 . 0 0 "[ . 1 . 2]" 1
1103 1 57 LEU HB2 1 57 LEU QD 2.690 . 3.690 2.106 2.058 2.216 . 0 0 "[ . 1 . 2]" 1
1104 1 57 LEU QD 1 67 ILE QG 3.980 . 4.980 4.714 3.875 5.031 0.051 15 0 "[ . 1 . 2]" 1
1105 1 23 LEU MD1 1 24 ILE HA 3.930 . 4.930 2.650 2.476 2.886 . 0 0 "[ . 1 . 2]" 1
1106 1 17 SER HA 1 20 LEU MD1 3.530 . 4.530 2.905 2.035 3.639 . 0 0 "[ . 1 . 2]" 1
1107 1 20 LEU HB2 1 20 LEU MD1 2.770 . 3.770 2.495 2.205 3.065 . 0 0 "[ . 1 . 2]" 1
1108 1 11 LEU HB2 1 23 LEU MD1 4.660 . 5.660 5.312 4.974 5.657 . 0 0 "[ . 1 . 2]" 1
1109 1 23 LEU MD1 1 67 ILE QG 5.000 . 6.000 5.962 5.802 6.035 0.035 10 0 "[ . 1 . 2]" 1
1110 1 28 PRO HG2 1 83 ASN HD22 5.000 . 6.000 4.771 3.609 5.870 . 0 0 "[ . 1 . 2]" 1
1111 1 59 VAL MG1 1 62 PHE QD 3.380 . 4.380 2.039 1.797 2.583 0.003 8 0 "[ . 1 . 2]" 1
1112 1 59 VAL MG1 1 62 PHE HB3 4.340 . 5.340 4.913 3.690 5.401 0.061 2 0 "[ . 1 . 2]" 1
1113 1 59 VAL MG1 1 62 PHE HB2 3.890 . 4.890 4.024 3.238 4.917 0.027 18 0 "[ . 1 . 2]" 1
1114 1 12 LEU MD1 1 59 VAL MG1 3.090 . 4.090 3.218 1.842 4.108 0.018 10 0 "[ . 1 . 2]" 1
1115 1 57 LEU HA 1 57 LEU QD 2.820 . 3.820 2.990 2.378 3.225 . 0 0 "[ . 1 . 2]" 1
1116 1 4 GLU QB 1 57 LEU QD 3.230 . 4.230 2.757 2.160 3.398 . 0 0 "[ . 1 . 2]" 1
1117 1 3 LEU HB2 1 3 LEU MD1 2.680 . 3.680 2.567 2.154 3.193 . 0 0 "[ . 1 . 2]" 1
1118 1 3 LEU MD1 1 4 GLU QG 4.780 . 5.780 4.278 2.179 5.843 0.063 19 0 "[ . 1 . 2]" 1
1119 1 3 LEU MD1 1 4 GLU QB 4.190 . 5.190 4.142 3.121 5.209 0.019 17 0 "[ . 1 . 2]" 1
1120 1 100 MET QG 1 101 LYS QG 4.550 . 5.550 2.803 2.248 5.099 . 0 0 "[ . 1 . 2]" 1
1121 1 41 PHE QD 1 42 LEU MD1 3.580 . 4.580 4.170 2.328 4.605 0.025 16 0 "[ . 1 . 2]" 1
1122 1 42 LEU MD1 1 46 ILE HB 3.770 . 4.770 4.805 4.729 4.868 0.098 19 0 "[ . 1 . 2]" 1
1123 1 42 LEU MD1 1 48 ILE MD 3.500 . 4.500 3.222 2.254 4.601 0.101 1 0 "[ . 1 . 2]" 1
1124 1 26 LEU MD1 1 94 SER HB3 3.620 . 4.620 2.975 2.210 3.911 . 0 0 "[ . 1 . 2]" 1
1125 1 42 LEU HB2 1 42 LEU MD1 2.820 . 3.820 2.406 2.158 2.563 . 0 0 "[ . 1 . 2]" 1
1126 1 42 LEU MD1 1 46 ILE MD 4.000 . 5.000 4.313 2.862 5.006 0.006 12 0 "[ . 1 . 2]" 1
1127 1 12 LEU MD1 1 62 PHE QE 4.170 . 5.170 2.785 2.063 4.975 . 0 0 "[ . 1 . 2]" 1
1128 1 21 GLU QB 1 22 THR HG1 4.090 . 5.090 4.371 2.751 5.128 0.038 3 0 "[ . 1 . 2]" 1
1129 1 32 LYS HB3 1 33 VAL MG1 3.720 . 4.720 4.756 4.722 4.794 0.074 16 0 "[ . 1 . 2]" 1
1130 1 32 LYS HB2 1 33 VAL MG1 3.520 . 4.520 4.498 4.322 4.573 0.053 3 0 "[ . 1 . 2]" 1
1131 1 26 LEU HB2 1 65 ALA MB 2.550 . 3.550 2.509 1.923 3.579 0.029 20 0 "[ . 1 . 2]" 1
1132 1 58 LEU MD1 1 65 ALA MB 2.570 . 3.570 2.862 1.883 3.595 0.025 17 0 "[ . 1 . 2]" 1
1133 1 33 VAL MG1 1 34 SER HA 4.970 . 5.970 4.967 4.384 5.291 . 0 0 "[ . 1 . 2]" 1
1134 1 8 VAL MG1 1 12 LEU HG 3.740 . 4.740 3.217 2.369 4.463 . 0 0 "[ . 1 . 2]" 1
1135 1 8 VAL MG1 1 12 LEU MD1 2.530 . 3.530 2.901 2.036 3.556 0.026 17 0 "[ . 1 . 2]" 1
1136 1 20 LEU HA 1 20 LEU MD1 2.590 . 3.590 3.170 2.288 3.648 0.058 9 0 "[ . 1 . 2]" 1
1137 1 20 LEU MD1 1 23 LEU HG 3.540 . 4.540 4.496 3.775 4.724 0.184 2 0 "[ . 1 . 2]" 1
1138 1 35 PRO HB3 1 58 LEU MD1 3.250 . 4.250 3.206 2.071 4.087 . 0 0 "[ . 1 . 2]" 1
1139 1 58 LEU HB3 1 58 LEU MD1 3.290 . 4.290 2.593 2.285 3.173 . 0 0 "[ . 1 . 2]" 1
1140 1 8 VAL MG1 1 62 PHE QE 3.920 . 4.920 3.225 2.893 4.491 . 0 0 "[ . 1 . 2]" 1
1141 1 8 VAL MG1 1 62 PHE QD 3.610 . 4.610 4.713 4.652 4.810 0.200 2 0 "[ . 1 . 2]" 1
1142 1 33 VAL MG1 1 38 ILE HG13 3.300 . 4.300 4.125 3.788 4.337 0.037 18 0 "[ . 1 . 2]" 1
1143 1 33 VAL MG1 1 38 ILE MD 3.320 . 4.320 3.782 2.297 4.356 0.036 8 0 "[ . 1 . 2]" 1
1144 1 91 VAL HA 1 91 VAL MG1 2.750 . 3.750 2.443 2.336 2.513 . 0 0 "[ . 1 . 2]" 1
1145 1 86 GLN HG2 1 91 VAL MG1 3.460 . 4.460 4.239 3.743 4.491 0.031 10 0 "[ . 1 . 2]" 1
1146 1 96 THR HG1 1 98 ASN HB3 4.560 . 5.560 4.087 3.649 4.586 . 0 0 "[ . 1 . 2]" 1
1147 1 24 ILE HB 1 96 THR HG1 4.950 . 5.950 6.059 6.025 6.092 0.142 5 0 "[ . 1 . 2]" 1
1148 1 96 THR HG1 1 97 ILE HB 4.160 . 5.160 5.222 5.183 5.265 0.105 6 0 "[ . 1 . 2]" 1
1149 1 20 LEU HB2 1 96 THR HG1 3.700 . 4.700 4.783 4.736 4.810 0.110 19 0 "[ . 1 . 2]" 1
1150 1 20 LEU MD1 1 96 THR HG1 4.290 . 5.290 4.515 3.404 5.308 0.018 8 0 "[ . 1 . 2]" 1
1151 1 96 THR HG1 1 97 ILE HG12 4.190 . 5.190 3.307 2.811 3.903 . 0 0 "[ . 1 . 2]" 1
1152 1 96 THR HG1 1 99 ASP HB3 4.800 . 5.800 5.829 5.752 5.880 0.080 12 0 "[ . 1 . 2]" 1
1153 1 59 VAL MG1 1 66 ILE HA 4.590 . 5.590 5.450 5.179 5.645 0.055 15 0 "[ . 1 . 2]" 1
1154 1 59 VAL MG1 1 66 ILE HB 3.110 . 4.110 4.055 3.785 4.160 0.050 10 0 "[ . 1 . 2]" 1
1155 1 84 GLY HA3 1 91 VAL MG1 2.950 . 3.950 4.017 3.965 4.082 0.132 9 0 "[ . 1 . 2]" 1
1156 1 91 VAL MG1 1 93 ARG HD3 5.000 . 6.000 4.699 3.739 5.866 . 0 0 "[ . 1 . 2]" 1
1157 1 91 VAL MG1 1 92 ILE MD 3.490 . 4.490 4.284 3.698 4.534 0.044 6 0 "[ . 1 . 2]" 1
1158 1 12 LEU HB3 1 13 ALA MB 3.770 . 4.770 3.814 3.381 4.311 . 0 0 "[ . 1 . 2]" 1
1159 1 9 LYS QD 1 13 ALA MB 3.680 . 4.680 3.881 3.164 4.666 . 0 0 "[ . 1 . 2]" 1
1160 1 67 ILE QG 1 69 PHE QE 4.290 . 5.290 4.746 4.268 5.347 0.057 5 0 "[ . 1 . 2]" 1
1161 1 56 ILE HA 1 67 ILE QG 4.590 . 5.590 2.751 2.318 3.182 . 0 0 "[ . 1 . 2]" 1
1162 1 67 ILE HA 1 67 ILE QG 3.480 . 4.480 2.377 2.213 2.986 . 0 0 "[ . 1 . 2]" 1
1163 1 53 ILE MD 1 67 ILE QG 3.140 . 4.140 2.618 1.935 3.642 . 0 0 "[ . 1 . 2]" 1
1164 1 69 PHE QE 1 75 ALA MB 4.140 . 5.140 3.757 2.768 5.112 . 0 0 "[ . 1 . 2]" 1
1165 1 24 ILE MD 1 75 ALA MB 2.910 . 3.910 2.362 1.903 3.986 0.076 9 0 "[ . 1 . 2]" 1
1166 1 23 LEU HA 1 75 ALA MB 5.000 . 6.000 2.961 2.695 3.268 . 0 0 "[ . 1 . 2]" 1
1167 1 48 ILE QG 1 52 ASP HB3 3.960 . 4.960 3.443 2.864 4.629 . 0 0 "[ . 1 . 2]" 1
1168 1 46 ILE HB 1 48 ILE QG 4.760 . 5.760 2.879 2.287 3.803 . 0 0 "[ . 1 . 2]" 1
1169 1 43 GLN HG2 1 48 ILE QG 5.000 . 6.000 4.579 2.956 5.126 . 0 0 "[ . 1 . 2]" 1
1170 1 23 LEU HA 1 24 ILE QG 5.000 . 6.000 4.611 3.625 5.021 . 0 0 "[ . 1 . 2]" 1
1171 1 24 ILE QG 1 79 LEU HA 3.850 . 4.850 3.956 3.749 4.603 . 0 0 "[ . 1 . 2]" 1
1172 1 24 ILE QG 1 75 ALA HA 4.200 . 5.200 4.688 3.433 5.212 0.012 6 0 "[ . 1 . 2]" 1
1173 1 24 ILE QG 1 79 LEU HB3 3.470 . 4.470 4.445 4.045 4.517 0.047 15 0 "[ . 1 . 2]" 1
1174 1 24 ILE QG 1 79 LEU HG 4.040 . 5.040 3.364 1.947 4.696 . 0 0 "[ . 1 . 2]" 1
1175 1 24 ILE QG 1 75 ALA MB 3.650 . 4.650 3.859 2.468 4.422 . 0 0 "[ . 1 . 2]" 1
1176 1 46 ILE QG 1 48 ILE HB 4.730 . 5.730 4.571 3.470 5.843 0.113 17 0 "[ . 1 . 2]" 1
1177 1 46 ILE QG 1 48 ILE HG13 3.890 . 4.890 4.477 3.878 5.023 0.133 1 0 "[ . 1 . 2]" 1
1178 1 42 LEU HA 1 46 ILE QG 4.190 . 5.190 2.274 1.899 3.320 . 0 0 "[ . 1 . 2]" 1
1179 1 46 ILE QG 1 48 ILE MD 3.390 . 4.390 2.812 2.286 3.873 . 0 0 "[ . 1 . 2]" 1
1180 1 65 ALA MB 1 66 ILE QG 4.850 . 5.850 5.514 4.978 5.713 . 0 0 "[ . 1 . 2]" 1
1181 1 66 ILE QG 1 67 ILE QG 5.000 . 6.000 5.004 4.579 5.693 . 0 0 "[ . 1 . 2]" 1
1182 1 87 PHE QD 1 92 ILE QG 4.420 . 5.420 4.833 2.597 5.450 0.030 12 0 "[ . 1 . 2]" 1
1183 1 87 PHE HB2 1 92 ILE QG 3.700 . 4.700 3.901 2.292 4.414 . 0 0 "[ . 1 . 2]" 1
1184 1 28 PRO HD3 1 92 ILE QG 5.000 . 6.000 5.943 5.711 6.050 0.050 1 0 "[ . 1 . 2]" 1
1185 1 87 PHE HB3 1 92 ILE QG 3.740 . 4.740 4.525 3.524 4.772 0.032 10 0 "[ . 1 . 2]" 1
1186 1 69 PHE QD 1 75 ALA MB 3.740 . 4.740 2.776 1.948 3.739 . 0 0 "[ . 1 . 2]" 1
1187 1 69 PHE HB3 1 75 ALA MB 4.020 . 5.020 4.866 4.217 5.052 0.032 14 0 "[ . 1 . 2]" 1
1188 1 69 PHE HB2 1 75 ALA MB 3.770 . 4.770 3.368 2.663 3.619 . 0 0 "[ . 1 . 2]" 1
1189 1 76 ALA MB 1 79 LEU HB2 3.330 . 4.330 4.349 4.270 4.370 0.040 1 0 "[ . 1 . 2]" 1
1190 1 76 ALA MB 1 79 LEU MD1 4.070 . 5.070 4.160 3.703 4.704 . 0 0 "[ . 1 . 2]" 1
1191 1 23 LEU HG 1 68 ILE QG 5.000 . 6.000 3.468 2.971 3.781 . 0 0 "[ . 1 . 2]" 1
1192 1 22 THR HG1 1 68 ILE QG 4.300 . 5.300 5.392 5.338 5.446 0.146 5 0 "[ . 1 . 2]" 1
1193 1 67 ILE QG 1 68 ILE QG 5.000 . 6.000 5.886 5.282 6.114 0.114 5 0 "[ . 1 . 2]" 1
1194 1 97 ILE QG 1 100 MET QG 4.130 . 5.130 4.982 4.672 5.195 0.065 20 0 "[ . 1 . 2]" 1
1195 1 97 ILE QG 1 101 LYS QG 4.530 . 5.530 5.293 4.998 5.546 0.016 5 0 "[ . 1 . 2]" 1
1196 1 53 ILE QG 1 55 LYS HA 4.230 . 5.230 4.908 4.182 5.296 0.066 6 0 "[ . 1 . 2]" 1
1197 1 53 ILE QG 1 54 ARG QD 5.000 . 6.000 5.986 5.576 6.056 0.056 15 0 "[ . 1 . 2]" 1
1198 1 53 ILE QG 1 56 ILE HB 3.480 . 4.480 3.301 2.643 4.492 0.012 20 0 "[ . 1 . 2]" 1
1199 1 53 ILE QG 1 56 ILE QG 4.050 . 5.050 4.685 2.180 5.079 0.029 19 0 "[ . 1 . 2]" 1
1200 1 53 ILE QG 1 67 ILE QG 3.680 . 4.680 3.370 2.948 3.750 . 0 0 "[ . 1 . 2]" 1
1201 1 53 ILE QG 1 69 PHE QE 5.000 . 6.000 4.777 4.273 5.348 . 0 0 "[ . 1 . 2]" 1
1202 1 23 LEU HA 1 68 ILE QG 4.270 . 5.270 3.434 3.231 3.577 . 0 0 "[ . 1 . 2]" 1
1203 1 80 MET QB 1 81 ILE QG 4.870 . 5.870 3.306 2.894 4.363 . 0 0 "[ . 1 . 2]" 1
1204 1 56 ILE HA 1 56 ILE QG 3.500 . 4.500 2.535 2.356 2.703 . 0 0 "[ . 1 . 2]" 1
1205 1 38 ILE QG 1 42 LEU MD1 2.650 . 3.650 3.660 3.387 3.779 0.129 19 0 "[ . 1 . 2]" 1
1206 1 48 ILE HA 1 48 ILE MD 4.040 . 5.040 3.373 1.933 3.759 . 0 0 "[ . 1 . 2]" 1
1207 1 48 ILE MD 1 52 ASP HB3 5.000 . 6.000 4.428 2.193 5.408 . 0 0 "[ . 1 . 2]" 1
1208 1 48 ILE MD 1 53 ILE MD 3.110 . 4.110 2.410 1.832 3.560 . 0 0 "[ . 1 . 2]" 1
1209 1 53 ILE MD 1 69 PHE QE 4.890 . 5.890 4.377 3.073 5.357 . 0 0 "[ . 1 . 2]" 1
1210 1 43 GLN HG3 1 56 ILE MD 4.800 . 5.800 4.367 3.897 4.771 . 0 0 "[ . 1 . 2]" 1
1211 1 53 ILE HB 1 53 ILE MD 3.150 . 4.150 2.676 2.414 3.221 . 0 0 "[ . 1 . 2]" 1
1212 1 48 ILE QG 1 53 ILE MD 3.720 . 4.720 2.183 1.780 3.915 0.020 14 0 "[ . 1 . 2]" 1
1213 1 52 ASP HB3 1 53 ILE MD 5.000 . 6.000 4.434 2.575 6.007 0.007 4 0 "[ . 1 . 2]" 1
1214 1 43 GLN HG2 1 56 ILE MD 4.820 . 5.820 4.796 4.430 5.272 . 0 0 "[ . 1 . 2]" 1
1215 1 67 ILE MD 1 69 PHE QE 4.910 . 5.910 3.901 3.227 4.581 . 0 0 "[ . 1 . 2]" 1
1216 1 87 PHE QE 1 92 ILE MD 4.050 . 5.050 4.753 3.164 5.063 0.013 16 0 "[ . 1 . 2]" 1
1217 1 87 PHE QD 1 92 ILE MD 4.660 . 5.660 3.181 1.814 3.600 . 0 0 "[ . 1 . 2]" 1
1218 1 87 PHE HB3 1 92 ILE MD 3.930 . 4.930 2.836 2.243 4.952 0.022 1 0 "[ . 1 . 2]" 1
1219 1 87 PHE HB2 1 92 ILE MD 3.870 . 4.870 2.124 1.825 3.947 . 0 0 "[ . 1 . 2]" 1
1220 1 92 ILE HB 1 92 ILE MD 3.260 . 4.260 2.980 2.271 3.228 . 0 0 "[ . 1 . 2]" 1
1221 1 24 ILE MD 1 69 PHE QE 3.680 . 4.680 1.942 1.773 3.006 0.027 1 0 "[ . 1 . 2]" 1
1222 1 24 ILE HA 1 24 ILE MD 4.040 . 5.040 3.713 3.595 3.966 . 0 0 "[ . 1 . 2]" 1
1223 1 24 ILE MD 1 79 LEU HA 3.540 . 4.540 4.096 2.507 4.525 . 0 0 "[ . 1 . 2]" 1
1224 1 24 ILE MD 1 75 ALA HA 4.550 . 5.550 2.984 2.486 4.491 . 0 0 "[ . 1 . 2]" 1
1225 1 24 ILE HB 1 24 ILE MD 3.450 . 4.450 3.111 2.243 3.239 . 0 0 "[ . 1 . 2]" 1
1226 1 24 ILE MD 1 78 MET HB3 3.550 . 4.550 4.214 3.837 4.556 0.006 2 0 "[ . 1 . 2]" 1
1227 1 24 ILE MD 1 67 ILE QG 4.860 . 5.860 4.954 4.382 5.871 0.011 9 0 "[ . 1 . 2]" 1
1228 1 56 ILE HA 1 56 ILE MD 4.260 . 5.260 3.857 3.735 3.968 . 0 0 "[ . 1 . 2]" 1
1229 1 56 ILE HB 1 56 ILE MD 3.180 . 4.180 2.435 2.306 2.527 . 0 0 "[ . 1 . 2]" 1
1230 1 56 ILE MD 1 67 ILE HG12 4.340 . 5.340 3.016 2.394 3.774 . 0 0 "[ . 1 . 2]" 1
1231 1 97 ILE HA 1 97 ILE MD 3.240 . 4.240 3.447 2.535 4.177 . 0 0 "[ . 1 . 2]" 1
1232 1 38 ILE MD 1 42 LEU MD1 4.030 . 5.030 4.308 3.167 4.990 . 0 0 "[ . 1 . 2]" 1
1233 1 80 MET QB 1 81 ILE MD 4.770 . 5.770 3.324 2.488 4.568 . 0 0 "[ . 1 . 2]" 1
1234 1 81 ILE HB 1 81 ILE MD 3.170 . 4.170 3.032 2.299 3.235 . 0 0 "[ . 1 . 2]" 1
1235 1 67 ILE HA 1 68 ILE MD 4.820 . 5.820 4.695 3.999 5.033 . 0 0 "[ . 1 . 2]" 1
1236 1 54 ARG QD 1 68 ILE MD 5.000 . 6.000 3.881 3.185 4.412 . 0 0 "[ . 1 . 2]" 1
1237 1 68 ILE HB 1 68 ILE MD 2.780 . 3.780 2.235 2.161 2.279 . 0 0 "[ . 1 . 2]" 1
1238 1 45 GLU QB 1 46 ILE MD 4.210 . 5.210 3.110 2.304 4.687 . 0 0 "[ . 1 . 2]" 1
1239 1 46 ILE MD 1 48 ILE MD 5.000 . 6.000 3.593 2.471 3.986 . 0 0 "[ . 1 . 2]" 1
1240 1 62 PHE QE 1 63 ASN HA 3.500 . 6.000 6.079 6.018 6.116 0.116 13 0 "[ . 1 . 2]" 1
1241 1 67 ILE QG 1 69 PHE QE 3.500 . 6.000 3.085 2.697 4.821 . 0 0 "[ . 1 . 2]" 1
1242 1 103 TYR QD 1 104 TYR HA 3.500 . 6.000 5.838 5.561 5.937 . 0 0 "[ . 1 . 2]" 1
1243 1 104 TYR QD 1 107 GLN HA 3.500 . 6.000 5.141 4.994 5.295 . 0 0 "[ . 1 . 2]" 1
1244 1 104 TYR QE 1 107 GLN HA 3.500 . 6.000 6.070 6.054 6.107 0.107 18 0 "[ . 1 . 2]" 1
1245 1 46 ILE HA 1 69 PHE QD 3.500 . 6.000 6.062 6.023 6.088 0.088 6 0 "[ . 1 . 2]" 1
1246 1 74 PHE HA 1 74 PHE QE 3.500 . 6.000 4.551 4.304 4.727 . 0 0 "[ . 1 . 2]" 1
1247 1 101 LYS HA 1 104 TYR QE 3.500 . 6.000 5.651 5.391 5.895 . 0 0 "[ . 1 . 2]" 1
1248 1 59 VAL QG 1 62 PHE QD 3.500 . 6.000 2.029 1.781 2.518 0.019 8 0 "[ . 1 . 2]" 1
1249 1 102 ARG HA 1 104 TYR QD 3.500 . 6.000 6.063 6.043 6.105 0.105 18 0 "[ . 1 . 2]" 1
1250 1 62 PHE QD 1 63 ASN QB 3.500 . 6.000 5.190 4.636 5.487 . 0 0 "[ . 1 . 2]" 1
1251 1 104 TYR HA 1 104 TYR QE 3.500 . 6.000 4.278 4.189 4.433 . 0 0 "[ . 1 . 2]" 1
1252 1 103 TYR QE 1 106 ASN QB 3.500 . 6.000 5.599 5.064 5.915 . 0 0 "[ . 1 . 2]" 1
1253 1 87 PHE HA 1 89 GLY H 3.500 . 6.000 3.417 3.245 4.088 . 0 0 "[ . 1 . 2]" 1
1254 1 24 ILE QG 1 67 ILE H 3.500 . 6.000 3.911 3.683 4.253 . 0 0 "[ . 1 . 2]" 1
1255 1 48 ILE QG 1 69 PHE H 3.500 . 6.000 6.086 6.030 6.152 0.152 14 0 "[ . 1 . 2]" 1
1256 1 41 PHE H 1 44 GLU HA 3.500 . 6.000 6.210 6.183 6.238 0.238 19 0 "[ . 1 . 2]" 1
1257 1 48 ILE MD 1 53 ILE H 3.500 . 6.000 5.548 4.264 6.014 0.014 16 0 "[ . 1 . 2]" 1
1258 1 7 GLU H 1 11 LEU QB 3.500 . 6.000 6.039 6.008 6.064 0.064 14 0 "[ . 1 . 2]" 1
1259 1 8 VAL QG 1 9 LYS H 3.500 . 6.000 3.250 2.879 3.375 . 0 0 "[ . 1 . 2]" 1
1260 1 8 VAL QG 1 10 ARG H 3.500 . 6.000 4.899 4.640 5.017 . 0 0 "[ . 1 . 2]" 1
1261 1 21 GLU QG 1 22 THR H 3.500 . 6.000 2.391 1.769 3.795 0.031 16 0 "[ . 1 . 2]" 1
1262 1 22 THR H 1 23 LEU QD 3.500 . 6.000 4.784 4.466 5.059 . 0 0 "[ . 1 . 2]" 1
1263 1 22 THR HG1 1 23 LEU H 3.500 . 6.000 3.667 3.322 4.110 . 0 0 "[ . 1 . 2]" 1
1264 1 23 LEU HG 1 24 ILE H 3.500 . 6.000 4.135 3.894 4.368 . 0 0 "[ . 1 . 2]" 1
1265 1 25 CYS QB 1 26 LEU H 3.500 . 6.000 3.476 3.126 3.791 . 0 0 "[ . 1 . 2]" 1
1266 1 32 LYS QD 1 33 VAL H 3.500 . 6.000 5.618 4.535 6.029 0.029 19 0 "[ . 1 . 2]" 1
1267 1 29 LEU QD 1 33 VAL H 3.500 . 6.000 5.212 4.131 6.019 0.019 17 0 "[ . 1 . 2]" 1
1268 1 59 VAL HA 1 61 ASP H 3.500 . 6.000 3.702 3.326 4.332 . 0 0 "[ . 1 . 2]" 1
1269 1 13 ALA H 1 14 SER QB 3.500 . 6.000 4.139 4.024 4.352 . 0 0 "[ . 1 . 2]" 1
1270 1 104 TYR QE 1 105 ASN H 3.500 . 6.000 5.632 5.452 5.808 . 0 0 "[ . 1 . 2]" 1
1271 1 82 LEU HA 1 83 ASN H 3.500 . 6.000 3.609 3.535 3.687 . 0 0 "[ . 1 . 2]" 1
1272 1 82 LEU QB 1 83 ASN H 3.500 . 6.000 2.464 2.028 3.449 . 0 0 "[ . 1 . 2]" 1
1273 1 79 LEU HA 1 83 ASN H 3.500 . 6.000 3.158 2.718 3.653 . 0 0 "[ . 1 . 2]" 1
1274 1 69 PHE QB 1 74 PHE QD 3.500 . 6.000 2.616 2.084 3.758 . 0 0 "[ . 1 . 2]" 1
1275 1 69 PHE HA 1 74 PHE QD 3.500 . 6.000 5.216 4.484 6.020 0.020 11 0 "[ . 1 . 2]" 1
1276 1 28 PRO HA 1 63 ASN QB 3.500 . 6.000 6.132 6.079 6.231 0.231 17 0 "[ . 1 . 2]" 1
1277 1 34 SER HA 1 35 PRO QD 3.500 . 6.000 1.928 1.836 2.175 . 0 0 "[ . 1 . 2]" 1
1278 1 34 SER QB 1 35 PRO QD 3.500 . 6.000 2.595 1.788 3.206 0.012 1 0 "[ . 1 . 2]" 1
1279 1 35 PRO QD 1 37 LEU QB 3.500 . 6.000 4.868 4.511 5.106 . 0 0 "[ . 1 . 2]" 1
1280 1 35 PRO QD 1 58 LEU MD1 3.500 . 6.000 4.845 3.390 6.016 0.016 8 0 "[ . 1 . 2]" 1
1281 1 35 PRO QD 1 58 LEU MD2 3.500 . 6.000 5.292 3.318 6.001 0.001 18 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 53
_Distance_constraint_stats_list.Viol_count 548
_Distance_constraint_stats_list.Viol_total 390.843
_Distance_constraint_stats_list.Viol_max 0.154
_Distance_constraint_stats_list.Viol_rms 0.0275
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0184
_Distance_constraint_stats_list.Viol_average_violations_only 0.0357
_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 5 ARG 0.965 0.073 19 0 "[ . 1 . 2]"
1 6 ASN 0.027 0.015 6 0 "[ . 1 . 2]"
1 7 GLU 0.007 0.007 11 0 "[ . 1 . 2]"
1 8 VAL 0.145 0.021 7 0 "[ . 1 . 2]"
1 9 LYS 1.397 0.073 19 0 "[ . 1 . 2]"
1 10 ARG 0.304 0.039 15 0 "[ . 1 . 2]"
1 11 LEU 0.007 0.007 11 0 "[ . 1 . 2]"
1 12 LEU 0.145 0.021 7 0 "[ . 1 . 2]"
1 13 ALA 0.432 0.056 2 0 "[ . 1 . 2]"
1 14 SER 0.277 0.039 15 0 "[ . 1 . 2]"
1 18 LYS 1.242 0.127 1 0 "[ . 1 . 2]"
1 22 THR 1.242 0.127 1 0 "[ . 1 . 2]"
1 24 ILE 1.064 0.077 16 0 "[ . 1 . 2]"
1 25 CYS 2.455 0.096 9 0 "[ . 1 . 2]"
1 26 LEU 0.225 0.039 20 0 "[ . 1 . 2]"
1 27 PHE 1.879 0.130 13 0 "[ . 1 . 2]"
1 36 SER 0.323 0.057 1 0 "[ . 1 . 2]"
1 37 LEU 0.308 0.073 19 0 "[ . 1 . 2]"
1 38 ILE 0.330 0.050 4 0 "[ . 1 . 2]"
1 39 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLN 0.337 0.057 1 0 "[ . 1 . 2]"
1 41 PHE 0.340 0.073 19 0 "[ . 1 . 2]"
1 42 LEU 0.377 0.050 4 0 "[ . 1 . 2]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.014 0.009 16 0 "[ . 1 . 2]"
1 45 GLU 0.032 0.021 16 0 "[ . 1 . 2]"
1 46 ILE 0.047 0.018 20 0 "[ . 1 . 2]"
1 57 LEU 1.028 0.103 20 0 "[ . 1 . 2]"
1 65 ALA 0.225 0.039 20 0 "[ . 1 . 2]"
1 66 ILE 1.028 0.103 20 0 "[ . 1 . 2]"
1 67 ILE 1.064 0.077 16 0 "[ . 1 . 2]"
1 73 LYS 0.601 0.049 3 0 "[ . 1 . 2]"
1 74 PHE 0.006 0.006 4 0 "[ . 1 . 2]"
1 75 ALA 0.465 0.040 20 0 "[ . 1 . 2]"
1 76 ALA 0.135 0.022 6 0 "[ . 1 . 2]"
1 77 LYS 1.562 0.113 12 0 "[ . 1 . 2]"
1 78 MET 0.511 0.072 6 0 "[ . 1 . 2]"
1 79 LEU 1.415 0.068 4 0 "[ . 1 . 2]"
1 80 MET 0.135 0.022 6 0 "[ . 1 . 2]"
1 81 ILE 0.961 0.113 12 0 "[ . 1 . 2]"
1 82 LEU 0.504 0.072 6 0 "[ . 1 . 2]"
1 83 ASN 0.950 0.068 4 0 "[ . 1 . 2]"
1 85 SER 2.491 0.154 14 0 "[ . 1 . 2]"
1 92 ILE 2.491 0.154 14 0 "[ . 1 . 2]"
1 93 ARG 1.879 0.130 13 0 "[ . 1 . 2]"
1 95 GLY 2.455 0.096 9 0 "[ . 1 . 2]"
1 98 ASN 0.342 0.058 6 0 "[ . 1 . 2]"
1 99 ASP 0.188 0.054 2 0 "[ . 1 . 2]"
1 100 MET 0.013 0.010 16 0 "[ . 1 . 2]"
1 101 LYS 0.503 0.047 13 0 "[ . 1 . 2]"
1 102 ARG 1.263 0.092 19 0 "[ . 1 . 2]"
1 103 TYR 0.482 0.055 2 0 "[ . 1 . 2]"
1 104 TYR 0.141 0.034 2 0 "[ . 1 . 2]"
1 105 ASN 0.744 0.047 13 0 "[ . 1 . 2]"
1 106 ASN 0.921 0.092 19 0 "[ . 1 . 2]"
1 107 GLN 0.294 0.055 2 0 "[ . 1 . 2]"
1 108 GLN 0.127 0.034 2 0 "[ . 1 . 2]"
1 109 ASN 0.242 0.032 10 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 24 ILE O 1 67 ILE H 1.900 . 2.100 2.061 1.856 2.150 0.050 16 0 "[ . 1 . 2]" 2
2 1 24 ILE O 1 67 ILE N 2.900 2.700 3.300 3.026 2.821 3.114 . 0 0 "[ . 1 . 2]" 2
3 1 24 ILE H 1 67 ILE O 1.900 . 2.100 2.142 2.108 2.177 0.077 16 0 "[ . 1 . 2]" 2
4 1 24 ILE N 1 67 ILE O 2.900 2.700 3.300 3.040 3.001 3.112 . 0 0 "[ . 1 . 2]" 2
5 1 26 LEU O 1 65 ALA H 1.900 . 2.100 2.024 1.795 2.119 0.019 15 0 "[ . 1 . 2]" 2
6 1 26 LEU O 1 65 ALA N 2.900 2.700 3.300 2.758 2.664 2.871 0.036 20 0 "[ . 1 . 2]" 2
7 1 26 LEU H 1 65 ALA O 1.900 . 2.100 1.901 1.781 2.139 0.039 20 0 "[ . 1 . 2]" 2
8 1 26 LEU N 1 65 ALA O 2.900 2.700 3.300 2.804 2.687 2.983 0.013 16 0 "[ . 1 . 2]" 2
9 1 25 CYS O 1 95 GLY H 1.900 . 2.100 2.149 2.008 2.194 0.094 1 0 "[ . 1 . 2]" 2
10 1 25 CYS O 1 95 GLY N 2.900 2.700 3.300 3.097 2.978 3.146 . 0 0 "[ . 1 . 2]" 2
11 1 25 CYS H 1 95 GLY O 1.900 . 2.100 1.752 1.704 1.834 0.096 9 0 "[ . 1 . 2]" 2
12 1 25 CYS N 1 95 GLY O 2.900 2.700 3.300 2.680 2.659 2.698 0.041 20 0 "[ . 1 . 2]" 2
13 1 27 PHE O 1 93 ARG H 1.900 . 2.100 2.183 2.062 2.230 0.130 13 0 "[ . 1 . 2]" 2
14 1 27 PHE O 1 93 ARG N 2.900 2.700 3.300 3.150 2.989 3.206 . 0 0 "[ . 1 . 2]" 2
15 1 27 PHE H 1 93 ARG O 1.900 . 2.100 2.027 1.811 2.146 0.046 13 0 "[ . 1 . 2]" 2
16 1 27 PHE N 1 93 ARG O 2.900 2.700 3.300 2.790 2.672 2.881 0.028 20 0 "[ . 1 . 2]" 2
17 1 57 LEU O 1 66 ILE H 1.900 . 2.100 2.142 2.031 2.203 0.103 20 0 "[ . 1 . 2]" 2
18 1 57 LEU O 1 66 ILE N 2.900 2.700 3.300 2.941 2.763 3.126 . 0 0 "[ . 1 . 2]" 2
19 1 57 LEU H 1 66 ILE O 1.900 . 2.100 2.020 1.798 2.163 0.063 5 0 "[ . 1 . 2]" 2
20 1 57 LEU N 1 66 ILE O 2.900 2.700 3.300 2.957 2.765 3.119 . 0 0 "[ . 1 . 2]" 2
21 1 85 SER O 1 92 ILE H 1.900 . 2.100 2.067 1.799 2.140 0.040 10 0 "[ . 1 . 2]" 2
22 1 85 SER O 1 92 ILE N 2.900 2.700 3.300 2.909 2.705 2.990 . 0 0 "[ . 1 . 2]" 2
23 1 85 SER H 1 92 ILE O 1.900 . 2.100 2.213 2.141 2.254 0.154 14 0 "[ . 1 . 2]" 2
24 1 85 SER N 1 92 ILE O 2.900 2.700 3.300 2.876 2.702 3.179 . 0 0 "[ . 1 . 2]" 2
25 1 5 ARG O 1 9 LYS H 1.900 . 2.100 2.148 2.121 2.173 0.073 19 0 "[ . 1 . 2]" 2
26 1 6 ASN O 1 10 ARG H 1.900 . 2.100 1.936 1.788 2.115 0.015 6 0 "[ . 1 . 2]" 2
27 1 7 GLU O 1 11 LEU H 1.900 . 2.100 1.955 1.800 2.107 0.007 11 0 "[ . 1 . 2]" 2
28 1 8 VAL O 1 12 LEU H 1.900 . 2.100 2.079 1.968 2.121 0.021 7 0 "[ . 1 . 2]" 2
29 1 9 LYS O 1 13 ALA H 1.900 . 2.100 2.119 2.065 2.156 0.056 2 0 "[ . 1 . 2]" 2
30 1 10 ARG O 1 14 SER H 1.900 . 2.100 2.082 1.876 2.139 0.039 15 0 "[ . 1 . 2]" 2
31 1 18 LYS O 1 22 THR H 1.900 . 2.100 2.162 2.112 2.227 0.127 1 0 "[ . 1 . 2]" 2
32 1 36 SER O 1 40 GLN H 1.900 . 2.100 2.115 2.085 2.157 0.057 1 0 "[ . 1 . 2]" 2
33 1 37 LEU O 1 41 PHE H 1.900 . 2.100 2.090 1.935 2.173 0.073 19 0 "[ . 1 . 2]" 2
34 1 38 ILE O 1 42 LEU H 1.900 . 2.100 2.097 1.866 2.150 0.050 4 0 "[ . 1 . 2]" 2
35 1 39 CYS O 1 43 GLN H 1.900 . 2.100 1.891 1.811 2.001 . 0 0 "[ . 1 . 2]" 2
36 1 40 GLN O 1 44 GLU H 1.900 . 2.100 1.901 1.810 2.109 0.009 16 0 "[ . 1 . 2]" 2
37 1 41 PHE O 1 45 GLU H 1.900 . 2.100 1.873 1.779 2.017 0.021 16 0 "[ . 1 . 2]" 2
38 1 42 LEU O 1 46 ILE H 1.900 . 2.100 2.023 1.829 2.118 0.018 20 0 "[ . 1 . 2]" 2
39 1 73 LYS O 1 77 LYS H 1.900 . 2.100 2.130 2.101 2.149 0.049 3 0 "[ . 1 . 2]" 2
40 1 74 PHE O 1 78 MET H 1.900 . 2.100 1.924 1.801 2.106 0.006 4 0 "[ . 1 . 2]" 2
41 1 75 ALA O 1 79 LEU H 1.900 . 2.100 2.120 2.036 2.140 0.040 20 0 "[ . 1 . 2]" 2
42 1 76 ALA O 1 80 MET H 1.900 . 2.100 2.089 2.002 2.122 0.022 6 0 "[ . 1 . 2]" 2
43 1 77 LYS O 1 81 ILE H 1.900 . 2.100 2.148 2.117 2.213 0.113 12 0 "[ . 1 . 2]" 2
44 1 78 MET O 1 82 LEU H 1.900 . 2.100 1.777 1.728 1.827 0.072 6 0 "[ . 1 . 2]" 2
45 1 79 LEU O 1 83 ASN H 1.900 . 2.100 2.148 2.128 2.168 0.068 4 0 "[ . 1 . 2]" 2
46 1 98 ASN O 1 102 ARG H 1.900 . 2.100 2.103 1.990 2.158 0.058 6 0 "[ . 1 . 2]" 2
47 1 99 ASP O 1 103 TYR H 1.900 . 2.100 2.065 1.899 2.154 0.054 2 0 "[ . 1 . 2]" 2
48 1 100 MET O 1 104 TYR H 1.900 . 2.100 1.864 1.790 2.102 0.010 16 0 "[ . 1 . 2]" 2
49 1 101 LYS O 1 105 ASN H 1.900 . 2.100 2.125 2.110 2.147 0.047 13 0 "[ . 1 . 2]" 2
50 1 102 ARG O 1 106 ASN H 1.900 . 2.100 2.145 2.088 2.192 0.092 19 0 "[ . 1 . 2]" 2
51 1 103 TYR O 1 107 GLN H 1.900 . 2.100 2.110 2.027 2.155 0.055 2 0 "[ . 1 . 2]" 2
52 1 104 TYR O 1 108 GLN H 1.900 . 2.100 1.831 1.766 1.918 0.034 2 0 "[ . 1 . 2]" 2
53 1 105 ASN O 1 109 ASN H 1.900 . 2.100 2.074 1.825 2.132 0.032 10 0 "[ . 1 . 2]" 2
stop_
save_
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