Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
602482 | 2n55 RC | 25694 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n55
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 637
_Distance_constraint_stats_list.Viol_count 889
_Distance_constraint_stats_list.Viol_total 1376.259
_Distance_constraint_stats_list.Viol_max 0.687
_Distance_constraint_stats_list.Viol_rms 0.0312
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0774
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.071 0.071 6 0 "[ . 1 . 2]"
1 4 PRO 0.338 0.172 4 0 "[ . 1 . 2]"
1 5 VAL 0.267 0.172 4 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.658 0.232 5 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.526 0.092 4 0 "[ . 1 . 2]"
1 12 PRO 0.097 0.032 15 0 "[ . 1 . 2]"
1 13 CYS 0.328 0.068 3 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 2.156 0.238 7 0 "[ . 1 . 2]"
1 18 SER 1.149 0.096 13 0 "[ . 1 . 2]"
1 19 HIS 0.984 0.096 13 0 "[ . 1 . 2]"
1 20 VAL 0.059 0.056 12 0 "[ . 1 . 2]"
1 21 ALA 0.056 0.022 15 0 "[ . 1 . 2]"
1 22 ARG 2.557 0.250 9 0 "[ . 1 . 2]"
1 23 ALA 0.065 0.040 12 0 "[ . 1 . 2]"
1 24 ASN 2.097 0.122 4 0 "[ . 1 . 2]"
1 25 VAL 5.199 0.687 13 1 "[ . 1 + . 2]"
1 26 LYS 2.396 0.192 8 0 "[ . 1 . 2]"
1 27 HIS 2.889 0.152 2 0 "[ . 1 . 2]"
1 28 LEU 2.620 0.175 3 0 "[ . 1 . 2]"
1 29 LYS 1.240 0.099 4 0 "[ . 1 . 2]"
1 30 ILE 0.728 0.092 10 0 "[ . 1 . 2]"
1 31 LEU 2.518 0.446 4 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 THR 0.135 0.058 4 0 "[ . 1 . 2]"
1 34 PRO 0.606 0.122 3 0 "[ . 1 . 2]"
1 35 ASN 0.577 0.122 3 0 "[ . 1 . 2]"
1 36 CYS 0.163 0.046 14 0 "[ . 1 . 2]"
1 37 ALA 0.113 0.058 4 0 "[ . 1 . 2]"
1 38 LEU 0.049 0.017 13 0 "[ . 1 . 2]"
1 39 GLN 2.065 0.446 4 0 "[ . 1 . 2]"
1 40 ILE 4.779 0.508 11 1 "[ . 1+ . 2]"
1 41 VAL 4.161 0.303 7 0 "[ . 1 . 2]"
1 42 ALA 0.038 0.028 16 0 "[ . 1 . 2]"
1 43 ARG 5.289 0.259 2 0 "[ . 1 . 2]"
1 44 LEU 3.198 0.203 19 0 "[ . 1 . 2]"
1 45 LYS 17.524 0.687 13 1 "[ . 1 + . 2]"
1 46 ASN 0.230 0.181 17 0 "[ . 1 . 2]"
1 47 ASN 0.439 0.181 17 0 "[ . 1 . 2]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 1.663 0.109 2 0 "[ . 1 . 2]"
1 50 GLN 2.685 0.292 5 0 "[ . 1 . 2]"
1 51 VAL 0.750 0.112 8 0 "[ . 1 . 2]"
1 52 CYS 1.146 0.238 7 0 "[ . 1 . 2]"
1 53 ILE 1.733 0.147 1 0 "[ . 1 . 2]"
1 54 ASP 1.568 0.139 11 0 "[ . 1 . 2]"
1 55 PRO 0.637 0.508 11 1 "[ . 1+ . 2]"
1 56 LYS 2.531 0.187 9 0 "[ . 1 . 2]"
1 57 CYS 4.097 0.187 9 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TRP 4.654 0.350 6 0 "[ . 1 . 2]"
1 60 CYS 0.781 0.042 12 0 "[ . 1 . 2]"
1 61 GLN 0.229 0.076 17 0 "[ . 1 . 2]"
1 62 GLU 0.824 0.075 13 0 "[ . 1 . 2]"
1 63 TYR 3.078 0.350 6 0 "[ . 1 . 2]"
1 64 LEU 0.523 0.075 13 0 "[ . 1 . 2]"
1 65 GLU 2.573 0.173 11 0 "[ . 1 . 2]"
1 66 LYS 0.084 0.038 18 0 "[ . 1 . 2]"
1 67 ALA 0.558 0.147 20 0 "[ . 1 . 2]"
1 68 LEU 0.164 0.053 11 0 "[ . 1 . 2]"
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 3.002 0.245 14 0 "[ . 1 . 2]"
2 4 GLU 0.036 0.016 8 0 "[ . 1 . 2]"
2 5 GLY 0.036 0.016 8 0 "[ . 1 . 2]"
2 6 ILE 0.866 0.232 19 0 "[ . 1 . 2]"
2 7 SER 0.804 0.232 19 0 "[ . 1 . 2]"
2 8 ILE 3.413 0.275 20 0 "[ . 1 . 2]"
2 9 TYR 3.147 0.245 14 0 "[ . 1 . 2]"
2 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 THR 0.473 0.211 7 0 "[ . 1 . 2]"
2 16 GLU 0.312 0.071 5 0 "[ . 1 . 2]"
2 17 GLU 0.644 0.211 7 0 "[ . 1 . 2]"
2 18 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 TYR 0.170 0.061 15 0 "[ . 1 . 2]"
2 24 ASP 0.355 0.077 20 0 "[ . 1 . 2]"
2 25 SER 0.019 0.019 1 0 "[ . 1 . 2]"
2 26 MET 1.039 0.123 12 0 "[ . 1 . 2]"
2 27 LYS 0.668 0.123 12 0 "[ . 1 . 2]"
2 28 GLU 0.736 0.139 11 0 "[ . 1 . 2]"
2 29 PRO 1.696 0.350 7 0 "[ . 1 . 2]"
2 30 ALA 1.494 0.350 7 0 "[ . 1 . 2]"
2 31 PHE 0.359 0.092 14 0 "[ . 1 . 2]"
2 32 ARG 0.054 0.054 14 0 "[ . 1 . 2]"
2 33 GLU 0.212 0.092 14 0 "[ . 1 . 2]"
2 34 GLU 0.156 0.064 13 0 "[ . 1 . 2]"
2 35 ASN 0.156 0.064 13 0 "[ . 1 . 2]"
2 37 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 LEU HA 1 7 LEU HG 0.000 . 4.140 3.170 2.541 3.876 . 0 0 "[ . 1 . 2]" 1
2 1 22 ARG HA 1 22 ARG HD2 0.000 . 5.230 4.248 2.473 4.923 . 0 0 "[ . 1 . 2]" 1
3 1 30 ILE HA 1 30 ILE MD 0.000 . 4.520 3.212 1.973 3.954 . 0 0 "[ . 1 . 2]" 1
4 1 31 LEU HB3 1 31 LEU HG 0.000 . 2.540 2.405 2.249 2.550 0.010 20 0 "[ . 1 . 2]" 1
5 1 38 LEU HB2 1 38 LEU HG 0.000 . 2.730 2.474 2.352 2.537 . 0 0 "[ . 1 . 2]" 1
6 1 40 ILE HA 1 40 ILE MD 0.000 . 4.770 2.400 2.122 3.865 . 0 0 "[ . 1 . 2]" 1
7 1 43 ARG HB3 1 43 ARG HG3 0.000 . 2.690 2.462 2.359 2.949 0.259 2 0 "[ . 1 . 2]" 1
8 1 45 LYS HE2 1 45 LYS HG2 0.000 . 4.090 2.628 2.358 3.664 . 0 0 "[ . 1 . 2]" 1
9 1 45 LYS HA 1 45 LYS HE3 0.000 . 5.500 5.335 4.607 5.791 0.291 13 0 "[ . 1 . 2]" 1
10 1 45 LYS HB2 1 45 LYS HE3 0.000 . 5.380 4.046 1.875 4.354 . 0 0 "[ . 1 . 2]" 1
11 1 45 LYS HB3 1 45 LYS HE3 0.000 . 4.080 4.335 2.868 4.572 0.492 19 0 "[ . 1 . 2]" 1
12 1 45 LYS HB2 1 45 LYS HE2 0.000 . 5.070 4.317 2.299 4.602 . 0 0 "[ . 1 . 2]" 1
13 1 45 LYS HE2 1 45 LYS HG3 0.000 . 4.090 3.055 2.451 3.187 . 0 0 "[ . 1 . 2]" 1
14 1 53 ILE HA 1 53 ILE MD 0.000 . 4.340 3.859 3.783 3.926 . 0 0 "[ . 1 . 2]" 1
15 1 53 ILE HB 1 53 ILE MD 0.000 . 3.750 2.423 2.369 2.447 . 0 0 "[ . 1 . 2]" 1
16 1 64 LEU HB2 1 64 LEU HG 0.000 . 2.840 2.466 2.411 2.520 . 0 0 "[ . 1 . 2]" 1
17 1 68 LEU HA 1 68 LEU HG 0.000 . 4.150 3.149 3.039 3.223 . 0 0 "[ . 1 . 2]" 1
18 1 68 LEU HB2 1 68 LEU HG 0.000 . 2.830 2.443 2.369 2.500 . 0 0 "[ . 1 . 2]" 1
19 1 22 ARG HA 1 22 ARG HD3 0.000 . 5.230 4.480 3.017 4.749 . 0 0 "[ . 1 . 2]" 1
20 1 40 ILE MD 1 55 PRO HB2 0.000 . 4.890 3.436 3.156 3.780 . 0 0 "[ . 1 . 2]" 1
21 1 68 LEU H 1 68 LEU HB2 0.000 . 3.260 2.539 2.487 2.634 . 0 0 "[ . 1 . 2]" 1
22 1 60 CYS HA 1 63 TYR HB2 0.000 . 4.800 3.693 3.040 4.840 0.040 4 0 "[ . 1 . 2]" 1
23 1 63 TYR HB2 2 8 ILE MD 0.000 . 5.500 4.703 4.166 5.134 . 0 0 "[ . 1 . 2]" 1
24 1 59 TRP HE3 1 63 TYR HB2 0.000 . 5.470 3.335 2.851 4.414 . 0 0 "[ . 1 . 2]" 1
25 1 50 GLN HB2 1 51 VAL H 0.000 . 5.500 4.264 4.004 4.488 . 0 0 "[ . 1 . 2]" 1
26 1 17 GLU HB2 1 18 SER H 0.000 . 4.870 4.237 4.017 4.540 . 0 0 "[ . 1 . 2]" 1
27 1 49 ARG HB3 1 50 GLN H 0.000 . 4.020 3.252 2.501 4.068 0.048 9 0 "[ . 1 . 2]" 1
28 1 49 ARG HB2 1 50 GLN H 0.000 . 5.340 3.490 2.552 4.087 . 0 0 "[ . 1 . 2]" 1
29 1 24 ASN HA 1 45 LYS HG3 0.000 . 5.500 3.260 2.997 3.561 . 0 0 "[ . 1 . 2]" 1
30 1 24 ASN HA 1 45 LYS HG2 0.000 . 5.500 4.755 2.707 5.125 . 0 0 "[ . 1 . 2]" 1
31 1 45 LYS H 1 45 LYS HG2 0.000 . 4.380 3.310 1.863 3.595 . 0 0 "[ . 1 . 2]" 1
32 1 53 ILE H 1 53 ILE HG12 0.000 . 4.820 3.476 3.327 3.723 . 0 0 "[ . 1 . 2]" 1
33 1 15 PHE HB3 1 16 PHE H 0.000 . 4.560 2.544 2.228 3.864 . 0 0 "[ . 1 . 2]" 1
34 1 15 PHE HB2 1 16 PHE H 0.000 . 4.560 3.676 2.625 3.983 . 0 0 "[ . 1 . 2]" 1
35 1 17 GLU HB3 1 18 SER H 0.000 . 4.820 3.502 2.861 4.002 . 0 0 "[ . 1 . 2]" 1
36 1 25 VAL H 1 25 VAL HB 0.000 . 3.780 3.793 3.740 3.820 0.040 9 0 "[ . 1 . 2]" 1
37 1 21 ALA HA 1 22 ARG H 0.000 . 3.530 2.162 2.057 2.281 . 0 0 "[ . 1 . 2]" 1
38 1 22 ARG HA 1 59 TRP HZ2 0.000 . 4.980 3.834 3.493 4.295 . 0 0 "[ . 1 . 2]" 1
39 1 22 ARG HA 1 25 VAL H 0.000 . 5.500 3.879 3.339 4.314 . 0 0 "[ . 1 . 2]" 1
40 1 26 LYS HG2 1 45 LYS HA 0.000 . 5.500 3.754 2.328 4.945 . 0 0 "[ . 1 . 2]" 1
41 1 28 LEU H 1 28 LEU HG 0.000 . 5.500 4.295 3.785 4.747 . 0 0 "[ . 1 . 2]" 1
42 1 28 LEU HG 2 8 ILE MD 0.000 . 4.220 4.306 4.083 4.395 0.175 3 0 "[ . 1 . 2]" 1
43 1 29 LYS H 1 29 LYS HG2 0.000 . 5.500 4.585 4.460 4.773 . 0 0 "[ . 1 . 2]" 1
44 1 29 LYS H 1 29 LYS HG3 0.000 . 5.460 4.094 3.869 4.325 . 0 0 "[ . 1 . 2]" 1
45 1 31 LEU HB3 1 39 GLN HB3 0.000 . 5.250 3.800 2.680 4.596 . 0 0 "[ . 1 . 2]" 1
46 1 31 LEU H 1 31 LEU HG 0.000 . 4.890 4.400 4.144 4.806 . 0 0 "[ . 1 . 2]" 1
47 1 32 ASN HA 1 33 THR H 0.000 . 3.490 2.175 2.006 2.500 . 0 0 "[ . 1 . 2]" 1
48 1 32 ASN QB 1 33 THR H 0.000 . 4.890 3.846 3.625 4.041 . 0 0 "[ . 1 . 2]" 1
49 1 33 THR HB 1 34 PRO HD2 0.000 . 4.580 3.312 2.684 3.744 . 0 0 "[ . 1 . 2]" 1
50 1 33 THR HA 1 34 PRO HD2 0.000 . 4.030 2.476 2.021 2.945 . 0 0 "[ . 1 . 2]" 1
51 1 33 THR HA 1 34 PRO HD3 0.000 . 4.030 2.058 1.926 2.411 . 0 0 "[ . 1 . 2]" 1
52 1 33 THR HB 1 36 CYS HB2 0.000 . 5.500 3.736 2.918 4.884 . 0 0 "[ . 1 . 2]" 1
53 1 37 ALA HA 1 38 LEU H 0.000 . 3.380 2.629 2.384 2.894 . 0 0 "[ . 1 . 2]" 1
54 1 32 ASN HA 1 38 LEU HA 0.000 . 5.500 2.447 2.098 3.120 . 0 0 "[ . 1 . 2]" 1
55 1 38 LEU HG 1 39 GLN H 0.000 . 5.130 4.227 3.367 5.147 0.017 13 0 "[ . 1 . 2]" 1
56 1 38 LEU HB2 1 39 GLN H 0.000 . 5.320 4.418 4.323 4.567 . 0 0 "[ . 1 . 2]" 1
57 1 38 LEU HB3 1 39 GLN H 0.000 . 5.320 4.191 4.115 4.282 . 0 0 "[ . 1 . 2]" 1
58 1 40 ILE H 1 40 ILE HG12 0.000 . 4.410 2.581 2.185 3.681 . 0 0 "[ . 1 . 2]" 1
59 1 40 ILE H 1 40 ILE MD 0.000 . 5.250 3.379 3.171 4.055 . 0 0 "[ . 1 . 2]" 1
60 1 40 ILE MD 1 55 PRO HA 0.000 . 4.010 2.787 1.845 3.387 . 0 0 "[ . 1 . 2]" 1
61 1 40 ILE MD 1 60 CYS QB 0.000 . 4.740 2.947 2.052 3.476 . 0 0 "[ . 1 . 2]" 1
62 1 40 ILE MD 1 53 ILE HG13 0.000 . 5.500 5.431 4.496 5.553 0.053 6 0 "[ . 1 . 2]" 1
63 1 40 ILE MD 1 60 CYS HA 0.000 . 5.320 4.710 3.911 5.274 . 0 0 "[ . 1 . 2]" 1
64 1 28 LEU HA 1 42 ALA HA 0.000 . 4.610 2.077 1.954 2.261 . 0 0 "[ . 1 . 2]" 1
65 1 43 ARG H 1 43 ARG HB2 0.000 . 4.100 2.410 2.259 2.660 . 0 0 "[ . 1 . 2]" 1
66 1 43 ARG H 1 43 ARG HG2 0.000 . 4.060 2.874 2.654 3.652 . 0 0 "[ . 1 . 2]" 1
67 1 43 ARG H 1 43 ARG HG3 0.000 . 4.000 3.907 3.053 4.061 0.061 17 0 "[ . 1 . 2]" 1
68 1 44 LEU HB3 1 45 LYS H 0.000 . 5.420 2.832 2.299 3.858 . 0 0 "[ . 1 . 2]" 1
69 1 25 VAL HA 1 45 LYS HA 0.000 . 5.500 4.462 4.127 4.784 . 0 0 "[ . 1 . 2]" 1
70 1 45 LYS H 1 45 LYS HB2 0.000 . 3.920 2.696 2.511 3.585 . 0 0 "[ . 1 . 2]" 1
71 1 24 ASN HA 1 45 LYS HE3 0.000 . 5.500 3.650 2.751 4.754 . 0 0 "[ . 1 . 2]" 1
72 1 25 VAL HA 1 45 LYS HE3 0.000 . 5.380 4.322 3.683 5.086 . 0 0 "[ . 1 . 2]" 1
73 1 49 ARG H 1 49 ARG HD3 0.000 . 5.500 4.750 3.929 5.226 . 0 0 "[ . 1 . 2]" 1
74 1 49 ARG H 1 49 ARG HD2 0.000 . 5.500 4.751 4.189 5.446 . 0 0 "[ . 1 . 2]" 1
75 1 50 GLN H 1 50 GLN HG2 0.000 . 4.420 4.295 3.951 4.377 . 0 0 "[ . 1 . 2]" 1
76 1 50 GLN H 1 50 GLN HG3 0.000 . 4.420 4.306 2.909 4.482 0.062 19 0 "[ . 1 . 2]" 1
77 1 51 VAL HB 1 52 CYS H 0.000 . 4.230 3.947 3.825 4.106 . 0 0 "[ . 1 . 2]" 1
78 1 52 CYS HA 1 53 ILE HG13 0.000 . 5.500 3.306 3.035 3.591 . 0 0 "[ . 1 . 2]" 1
79 1 52 CYS HB3 1 53 ILE H 0.000 . 4.750 3.114 2.881 3.906 . 0 0 "[ . 1 . 2]" 1
80 1 53 ILE HB 1 54 ASP H 0.000 . 4.880 3.853 3.722 4.051 . 0 0 "[ . 1 . 2]" 1
81 1 40 ILE HB 1 53 ILE HB 0.000 . 4.400 2.091 1.799 2.548 . 0 0 "[ . 1 . 2]" 1
82 1 41 VAL HA 1 53 ILE MD 0.000 . 5.500 4.904 4.462 5.248 . 0 0 "[ . 1 . 2]" 1
83 1 53 ILE MD 1 59 TRP HH2 0.000 . 4.390 2.038 1.863 2.165 . 0 0 "[ . 1 . 2]" 1
84 1 53 ILE MD 1 59 TRP HZ2 0.000 . 4.390 1.855 1.785 2.028 . 0 0 "[ . 1 . 2]" 1
85 1 40 ILE HB 1 53 ILE MD 0.000 . 5.040 3.718 3.517 4.287 . 0 0 "[ . 1 . 2]" 1
86 1 20 VAL HB 1 53 ILE MD 0.000 . 4.460 2.832 2.048 3.212 . 0 0 "[ . 1 . 2]" 1
87 1 40 ILE HB 1 53 ILE HG12 0.000 . 5.500 4.647 4.477 5.066 . 0 0 "[ . 1 . 2]" 1
88 1 18 SER HA 1 54 ASP HB3 0.000 . 5.320 3.752 2.072 5.349 0.029 6 0 "[ . 1 . 2]" 1
89 1 18 SER HA 1 54 ASP HB2 0.000 . 5.320 3.710 2.145 4.626 . 0 0 "[ . 1 . 2]" 1
90 1 55 PRO HD2 1 56 LYS H 0.000 . 4.580 3.260 2.812 3.650 . 0 0 "[ . 1 . 2]" 1
91 1 54 ASP HA 1 55 PRO HG3 0.000 . 5.500 4.376 4.309 4.467 . 0 0 "[ . 1 . 2]" 1
92 1 54 ASP HA 1 55 PRO HG2 0.000 . 5.500 4.343 4.274 4.479 . 0 0 "[ . 1 . 2]" 1
93 1 62 GLU H 1 62 GLU HB2 0.000 . 3.670 2.461 2.353 2.537 . 0 0 "[ . 1 . 2]" 1
94 1 65 GLU HA 1 68 LEU H 0.000 . 4.800 4.027 3.397 4.384 . 0 0 "[ . 1 . 2]" 1
95 1 62 GLU HA 1 65 GLU HG3 0.000 . 5.090 4.029 2.959 4.987 . 0 0 "[ . 1 . 2]" 1
96 1 65 GLU HG3 1 66 LYS H 0.000 . 5.320 4.626 2.308 5.058 . 0 0 "[ . 1 . 2]" 1
97 1 65 GLU HA 1 68 LEU HB2 0.000 . 5.360 4.003 3.569 4.358 . 0 0 "[ . 1 . 2]" 1
98 1 65 GLU HA 1 68 LEU HB3 0.000 . 5.500 5.273 4.725 5.553 0.053 11 0 "[ . 1 . 2]" 1
99 1 64 LEU HG 1 65 GLU H 0.000 . 5.320 4.457 4.335 4.529 . 0 0 "[ . 1 . 2]" 1
100 1 68 LEU H 1 68 LEU HG 0.000 . 3.400 2.300 2.195 2.517 . 0 0 "[ . 1 . 2]" 1
101 1 55 PRO HA 1 60 CYS QB 0.000 . 4.960 3.107 2.518 3.702 . 0 0 "[ . 1 . 2]" 1
102 1 40 ILE HG13 1 60 CYS QB 0.000 . 5.390 3.321 2.742 4.538 . 0 0 "[ . 1 . 2]" 1
103 1 52 CYS HA 1 53 ILE HB 0.000 . 5.500 4.618 4.359 4.809 . 0 0 "[ . 1 . 2]" 1
104 1 3 LYS HA 1 4 PRO HD3 0.000 . 3.820 2.201 1.876 3.891 0.071 6 0 "[ . 1 . 2]" 1
105 1 3 LYS HB3 1 4 PRO HD2 0.000 . 5.500 3.533 2.323 4.523 . 0 0 "[ . 1 . 2]" 1
106 1 33 THR HB 1 34 PRO HD3 0.000 . 4.580 4.030 3.398 4.353 . 0 0 "[ . 1 . 2]" 1
107 1 3 LYS HB2 1 4 PRO HD2 0.000 . 5.500 4.169 2.095 5.314 . 0 0 "[ . 1 . 2]" 1
108 1 31 LEU H 1 31 LEU HB3 0.000 . 3.800 3.126 2.427 3.667 . 0 0 "[ . 1 . 2]" 1
109 1 43 ARG HA 1 51 VAL H 0.000 . 5.070 3.556 3.242 4.056 . 0 0 "[ . 1 . 2]" 1
110 1 42 ALA H 1 53 ILE HG12 0.000 . 5.500 4.793 4.468 5.068 . 0 0 "[ . 1 . 2]" 1
111 1 67 ALA HA 1 69 ASN H 0.000 . 4.170 3.547 3.210 3.883 . 0 0 "[ . 1 . 2]" 1
112 1 30 ILE MD 1 31 LEU H 0.000 . 5.180 4.408 3.563 5.249 0.069 19 0 "[ . 1 . 2]" 1
113 1 3 LYS HA 1 4 PRO HD2 0.000 . 3.820 2.636 2.115 3.815 . 0 0 "[ . 1 . 2]" 1
114 1 40 ILE MD 1 55 PRO HB3 0.000 . 4.920 2.278 2.006 2.880 . 0 0 "[ . 1 . 2]" 1
115 1 25 VAL HA 1 45 LYS HG2 0.000 . 5.500 3.790 3.377 4.115 . 0 0 "[ . 1 . 2]" 1
116 1 25 VAL HA 1 45 LYS HG3 0.000 . 5.500 2.905 2.482 5.028 . 0 0 "[ . 1 . 2]" 1
117 1 22 ARG HA 1 59 TRP HH2 0.000 . 5.500 4.023 3.249 4.787 . 0 0 "[ . 1 . 2]" 1
118 1 24 ASN HB2 1 44 LEU HB3 0.000 . 5.500 4.566 3.638 5.612 0.112 7 0 "[ . 1 . 2]" 1
119 1 27 HIS HB3 1 28 LEU H 0.000 . 5.500 4.080 3.877 4.200 . 0 0 "[ . 1 . 2]" 1
120 1 40 ILE HB 1 53 ILE HG13 0.000 . 5.410 3.415 3.191 3.835 . 0 0 "[ . 1 . 2]" 1
121 1 30 ILE MD 1 64 LEU HA 0.000 . 4.740 2.774 1.982 4.350 . 0 0 "[ . 1 . 2]" 1
122 1 30 ILE MD 1 68 LEU HA 0.000 . 5.500 3.925 2.414 5.342 . 0 0 "[ . 1 . 2]" 1
123 1 30 ILE MD 1 67 ALA HA 0.000 . 5.500 4.358 3.136 4.907 . 0 0 "[ . 1 . 2]" 1
124 1 31 LEU HB2 1 31 LEU HG 0.000 . 2.870 2.563 2.329 2.976 0.106 13 0 "[ . 1 . 2]" 1
125 1 31 LEU HB2 1 39 GLN HB3 0.000 . 5.150 3.689 2.800 4.960 . 0 0 "[ . 1 . 2]" 1
126 1 31 LEU HB2 1 39 GLN H 0.000 . 5.500 3.478 2.404 4.836 . 0 0 "[ . 1 . 2]" 1
127 1 31 LEU HG 1 39 GLN HB3 0.000 . 5.120 4.369 3.711 5.268 0.148 2 0 "[ . 1 . 2]" 1
128 1 33 THR HB 1 36 CYS HB3 0.000 . 5.500 3.680 2.418 5.293 . 0 0 "[ . 1 . 2]" 1
129 1 36 CYS HB3 1 39 GLN HE22 0.000 . 5.500 3.534 2.146 5.086 . 0 0 "[ . 1 . 2]" 1
130 1 36 CYS HB2 1 37 ALA H 0.000 . 4.650 3.188 1.772 3.773 . 0 0 "[ . 1 . 2]" 1
131 1 36 CYS HB2 1 39 GLN HE22 0.000 . 5.500 4.054 2.150 5.505 0.005 14 0 "[ . 1 . 2]" 1
132 1 36 CYS HB3 1 39 GLN HE21 0.000 . 5.500 3.818 2.685 4.910 . 0 0 "[ . 1 . 2]" 1
133 1 39 GLN H 1 39 GLN HG2 0.000 . 4.700 3.957 2.600 4.482 . 0 0 "[ . 1 . 2]" 1
134 1 39 GLN H 1 39 GLN HG3 0.000 . 4.700 3.111 2.412 4.256 . 0 0 "[ . 1 . 2]" 1
135 1 64 LEU H 1 64 LEU HB2 0.000 . 3.540 2.392 2.338 2.509 . 0 0 "[ . 1 . 2]" 1
136 1 38 LEU H 1 38 LEU HG 0.000 . 4.800 4.611 4.480 4.719 . 0 0 "[ . 1 . 2]" 1
137 1 45 LYS HB3 1 45 LYS HE2 0.000 . 5.500 4.012 2.279 4.127 . 0 0 "[ . 1 . 2]" 1
138 1 41 VAL HA 1 53 ILE HG13 0.000 . 5.500 4.111 3.643 4.528 . 0 0 "[ . 1 . 2]" 1
139 1 53 ILE HG13 1 59 TRP HH2 0.000 . 4.820 4.566 4.402 4.773 . 0 0 "[ . 1 . 2]" 1
140 1 40 ILE HG13 1 41 VAL H 0.000 . 5.500 5.666 5.315 5.803 0.303 7 0 "[ . 1 . 2]" 1
141 1 44 LEU HB3 1 49 ARG H 0.000 . 5.500 3.434 2.047 4.102 . 0 0 "[ . 1 . 2]" 1
142 1 44 LEU HG 1 45 LYS H 0.000 . 5.500 4.408 3.263 5.073 . 0 0 "[ . 1 . 2]" 1
143 1 25 VAL HA 1 45 LYS HB3 0.000 . 5.500 5.332 3.513 5.564 0.064 2 0 "[ . 1 . 2]" 1
144 1 24 ASN HA 1 45 LYS HB3 0.000 . 5.330 5.117 4.871 5.374 0.044 4 0 "[ . 1 . 2]" 1
145 1 25 VAL HA 1 45 LYS HB2 0.000 . 5.500 4.783 4.589 5.094 . 0 0 "[ . 1 . 2]" 1
146 1 24 ASN HA 1 45 LYS HB2 0.000 . 5.310 3.736 3.330 5.378 0.068 13 0 "[ . 1 . 2]" 1
147 1 25 VAL H 1 45 LYS HE3 0.000 . 5.500 3.234 2.555 4.746 . 0 0 "[ . 1 . 2]" 1
148 1 26 LYS H 1 45 LYS HE3 0.000 . 5.500 4.559 3.845 5.583 0.083 4 0 "[ . 1 . 2]" 1
149 1 24 ASN HA 1 45 LYS HE2 0.000 . 5.500 4.843 2.069 5.381 . 0 0 "[ . 1 . 2]" 1
150 1 26 LYS H 1 45 LYS HE2 0.000 . 5.500 4.521 3.778 5.060 . 0 0 "[ . 1 . 2]" 1
151 1 26 LYS H 1 45 LYS HG2 0.000 . 5.500 3.063 2.479 4.405 . 0 0 "[ . 1 . 2]" 1
152 1 26 LYS H 1 45 LYS HG3 0.000 . 5.500 3.256 2.893 5.511 0.011 13 0 "[ . 1 . 2]" 1
153 1 47 ASN HD22 1 49 ARG HD3 0.000 . 5.500 3.714 1.966 5.499 . 0 0 "[ . 1 . 2]" 1
154 1 47 ASN HD22 1 49 ARG HD2 0.000 . 5.500 3.225 1.890 5.435 . 0 0 "[ . 1 . 2]" 1
155 1 50 GLN HB3 1 50 GLN HE22 0.000 . 4.820 3.930 3.535 4.368 . 0 0 "[ . 1 . 2]" 1
156 1 16 PHE HA 1 52 CYS HB2 0.000 . 5.230 2.517 1.924 4.085 . 0 0 "[ . 1 . 2]" 1
157 1 16 PHE HA 1 52 CYS HB3 0.000 . 5.110 3.125 2.349 3.721 . 0 0 "[ . 1 . 2]" 1
158 1 54 ASP HB2 1 55 PRO HD3 0.000 . 5.500 4.705 4.020 5.136 . 0 0 "[ . 1 . 2]" 1
159 1 54 ASP HB3 1 55 PRO HD3 0.000 . 5.500 4.966 4.468 5.119 . 0 0 "[ . 1 . 2]" 1
160 1 61 GLN HA 1 64 LEU HB3 0.000 . 4.940 4.315 4.131 4.618 . 0 0 "[ . 1 . 2]" 1
161 1 63 TYR HB3 2 8 ILE MD 0.000 . 5.500 5.551 5.247 5.775 0.275 20 0 "[ . 1 . 2]" 1
162 1 60 CYS HA 1 63 TYR HB3 0.000 . 5.500 2.160 1.802 3.236 . 0 0 "[ . 1 . 2]" 1
163 1 59 TRP HE3 1 63 TYR HB3 0.000 . 5.500 2.785 2.188 3.555 . 0 0 "[ . 1 . 2]" 1
164 1 59 TRP HE3 1 63 TYR HA 0.000 . 5.500 5.012 4.605 5.393 . 0 0 "[ . 1 . 2]" 1
165 1 63 TYR HA 1 65 GLU H 0.000 . 5.500 4.579 4.245 4.815 . 0 0 "[ . 1 . 2]" 1
166 1 63 TYR HB3 1 64 LEU H 0.000 . 4.420 3.227 2.739 3.654 . 0 0 "[ . 1 . 2]" 1
167 1 64 LEU HA 1 67 ALA H 0.000 . 4.540 3.737 3.394 4.268 . 0 0 "[ . 1 . 2]" 1
168 1 64 LEU HA 1 66 LYS H 0.000 . 5.500 4.522 4.324 4.770 . 0 0 "[ . 1 . 2]" 1
169 1 61 GLN HA 1 64 LEU HB2 0.000 . 4.390 2.808 2.545 3.184 . 0 0 "[ . 1 . 2]" 1
170 1 59 TRP HA 1 62 GLU HB3 0.000 . 5.500 5.229 4.118 5.547 0.047 15 0 "[ . 1 . 2]" 1
171 1 59 TRP HA 1 62 GLU HB2 0.000 . 5.500 3.621 2.594 3.949 . 0 0 "[ . 1 . 2]" 1
172 1 65 GLU HB3 1 66 LYS H 0.000 . 4.910 3.674 3.445 4.112 . 0 0 "[ . 1 . 2]" 1
173 1 66 LYS H 1 66 LYS HG2 0.000 . 4.460 3.635 2.185 4.207 . 0 0 "[ . 1 . 2]" 1
174 1 20 VAL H 1 20 VAL HB 0.000 . 4.040 2.574 2.410 2.725 . 0 0 "[ . 1 . 2]" 1
175 1 20 VAL HB 1 59 TRP HH2 0.000 . 5.500 5.025 4.661 5.556 0.056 12 0 "[ . 1 . 2]" 1
176 1 60 CYS HA 1 62 GLU H 0.000 . 5.500 4.119 3.852 4.414 . 0 0 "[ . 1 . 2]" 1
177 1 60 CYS HA 1 64 LEU H 0.000 . 5.500 3.867 3.602 4.244 . 0 0 "[ . 1 . 2]" 1
178 1 60 CYS HA 1 63 TYR H 0.000 . 4.840 3.046 2.847 3.320 . 0 0 "[ . 1 . 2]" 1
179 1 44 LEU HB2 1 49 ARG H 0.000 . 4.210 2.397 1.948 3.610 . 0 0 "[ . 1 . 2]" 1
180 1 44 LEU HB2 1 47 ASN H 0.000 . 5.500 3.814 3.169 5.456 . 0 0 "[ . 1 . 2]" 1
181 1 27 HIS H 1 43 ARG HB3 0.000 . 5.150 4.250 3.636 4.684 . 0 0 "[ . 1 . 2]" 1
182 1 27 HIS H 1 43 ARG HB2 0.000 . 5.500 2.845 2.534 3.174 . 0 0 "[ . 1 . 2]" 1
183 1 43 ARG HB3 1 44 LEU H 0.000 . 5.500 3.407 2.832 3.519 . 0 0 "[ . 1 . 2]" 1
184 1 40 ILE MD 1 41 VAL H 0.000 . 5.500 4.214 3.904 5.345 . 0 0 "[ . 1 . 2]" 1
185 1 34 PRO HD2 1 35 ASN H 0.000 . 5.500 2.552 2.284 2.983 . 0 0 "[ . 1 . 2]" 1
186 1 34 PRO HD3 1 35 ASN H 0.000 . 5.500 3.776 3.539 4.131 . 0 0 "[ . 1 . 2]" 1
187 1 40 ILE HG12 1 55 PRO HA 0.000 . 5.290 3.238 2.588 4.056 . 0 0 "[ . 1 . 2]" 1
188 1 21 ALA H 1 24 ASN HB2 0.000 . 5.280 4.852 3.656 5.302 0.022 15 0 "[ . 1 . 2]" 1
189 1 69 ASN HB3 1 70 LYS H 0.000 . 5.080 3.943 2.499 4.597 . 0 0 "[ . 1 . 2]" 1
190 1 9 TYR HB2 1 10 ARG H 0.000 . 5.500 3.221 1.999 4.499 . 0 0 "[ . 1 . 2]" 1
191 1 69 ASN HB2 1 70 LYS H 0.000 . 5.080 4.171 2.969 4.700 . 0 0 "[ . 1 . 2]" 1
192 1 29 LYS HB2 1 30 ILE H 0.000 . 5.120 3.821 3.625 4.065 . 0 0 "[ . 1 . 2]" 1
193 1 29 LYS HB3 1 30 ILE H 0.000 . 5.120 2.727 2.493 2.951 . 0 0 "[ . 1 . 2]" 1
194 1 30 ILE H 1 30 ILE MD 0.000 . 4.970 4.056 3.386 4.633 . 0 0 "[ . 1 . 2]" 1
195 1 30 ILE MD 1 67 ALA H 0.000 . 5.210 4.166 3.504 4.566 . 0 0 "[ . 1 . 2]" 1
196 1 40 ILE HB 1 53 ILE H 0.000 . 4.810 2.205 1.971 2.397 . 0 0 "[ . 1 . 2]" 1
197 1 53 ILE H 1 53 ILE HB 0.000 . 4.210 2.601 2.460 2.696 . 0 0 "[ . 1 . 2]" 1
198 1 40 ILE H 1 53 ILE HB 0.000 . 5.500 4.668 4.289 5.101 . 0 0 "[ . 1 . 2]" 1
199 1 43 ARG HA 1 44 LEU H 0.000 . 3.570 2.113 2.014 2.162 . 0 0 "[ . 1 . 2]" 1
200 1 42 ALA H 1 53 ILE MD 0.000 . 4.320 4.095 3.841 4.348 0.028 16 0 "[ . 1 . 2]" 1
201 1 53 ILE H 1 53 ILE MD 0.000 . 4.950 3.704 3.560 3.887 . 0 0 "[ . 1 . 2]" 1
202 1 53 ILE MD 1 54 ASP H 0.000 . 5.260 4.961 4.796 5.062 . 0 0 "[ . 1 . 2]" 1
203 1 53 ILE MD 1 59 TRP HE1 0.000 . 5.500 4.213 4.035 4.565 . 0 0 "[ . 1 . 2]" 1
204 1 61 GLN HA 1 64 LEU H 0.000 . 4.220 3.486 3.216 3.760 . 0 0 "[ . 1 . 2]" 1
205 1 62 GLU HB3 1 64 LEU H 0.000 . 5.500 5.521 5.452 5.575 0.075 13 0 "[ . 1 . 2]" 1
206 1 62 GLU HB2 1 64 LEU H 0.000 . 5.500 4.976 4.800 5.187 . 0 0 "[ . 1 . 2]" 1
207 1 62 GLU HA 1 64 LEU H 0.000 . 5.340 4.281 3.976 4.461 . 0 0 "[ . 1 . 2]" 1
208 1 44 LEU H 1 44 LEU HB2 0.000 . 4.180 2.482 1.870 2.786 . 0 0 "[ . 1 . 2]" 1
209 1 54 ASP HB3 1 55 PRO HD2 0.000 . 5.500 4.224 3.399 4.496 . 0 0 "[ . 1 . 2]" 1
210 1 27 HIS HB2 1 28 LEU H 0.000 . 4.520 4.203 4.095 4.327 . 0 0 "[ . 1 . 2]" 1
211 1 27 HIS HB2 1 43 ARG H 0.000 . 5.500 5.268 4.469 5.511 0.011 13 0 "[ . 1 . 2]" 1
212 1 61 GLN HA 1 63 TYR H 0.000 . 5.500 4.406 4.121 4.604 . 0 0 "[ . 1 . 2]" 1
213 1 29 LYS HG2 1 30 ILE H 0.000 . 4.920 4.901 4.682 5.012 0.092 10 0 "[ . 1 . 2]" 1
214 1 29 LYS HG3 1 30 ILE H 0.000 . 5.500 4.268 3.960 4.534 . 0 0 "[ . 1 . 2]" 1
215 1 22 ARG H 1 22 ARG HG3 0.000 . 5.500 4.442 4.310 4.688 . 0 0 "[ . 1 . 2]" 1
216 1 20 VAL HB 1 21 ALA H 0.000 . 4.950 3.946 3.803 4.093 . 0 0 "[ . 1 . 2]" 1
217 1 3 LYS HB3 1 4 PRO HD3 0.000 . 5.500 4.022 2.983 4.793 . 0 0 "[ . 1 . 2]" 1
218 1 3 LYS HB2 1 4 PRO HD3 0.000 . 5.500 4.388 2.064 5.066 . 0 0 "[ . 1 . 2]" 1
219 1 38 LEU H 1 38 LEU HB3 0.000 . 4.190 2.573 2.473 2.700 . 0 0 "[ . 1 . 2]" 1
220 1 56 LYS HB2 1 57 CYS H 0.000 . 3.970 3.368 2.926 4.117 0.147 13 0 "[ . 1 . 2]" 1
221 1 10 ARG HB3 1 11 CYS H 0.000 . 5.150 2.645 1.896 3.694 . 0 0 "[ . 1 . 2]" 1
222 1 10 ARG HB2 1 11 CYS H 0.000 . 5.150 2.893 1.960 4.136 . 0 0 "[ . 1 . 2]" 1
223 1 11 CYS HB3 1 12 PRO HA 0.000 . 5.500 5.331 5.086 5.532 0.032 15 0 "[ . 1 . 2]" 1
224 1 11 CYS HB2 1 12 PRO HA 0.000 . 5.500 5.248 4.899 5.527 0.027 14 0 "[ . 1 . 2]" 1
225 1 11 CYS HB3 1 39 GLN HE22 0.000 . 5.500 2.586 1.616 4.125 . 0 0 "[ . 1 . 2]" 1
226 1 11 CYS HB2 1 39 GLN HE22 0.000 . 5.500 4.016 2.563 5.530 0.030 7 0 "[ . 1 . 2]" 1
227 1 11 CYS HB3 1 39 GLN HE21 0.000 . 5.500 3.328 1.967 4.286 . 0 0 "[ . 1 . 2]" 1
228 1 11 CYS HB2 1 39 GLN HE21 0.000 . 5.500 4.806 3.709 5.592 0.092 4 0 "[ . 1 . 2]" 1
229 1 39 GLN HB2 1 40 ILE H 0.000 . 4.740 3.803 3.613 3.977 . 0 0 "[ . 1 . 2]" 1
230 1 25 VAL HA 1 44 LEU HA 0.000 . 5.500 2.128 1.885 2.361 . 0 0 "[ . 1 . 2]" 1
231 1 26 LYS HG3 1 45 LYS HA 0.000 . 5.500 2.911 1.822 4.139 . 0 0 "[ . 1 . 2]" 1
232 1 26 LYS HA 1 45 LYS HB3 0.000 . 5.240 5.271 3.890 5.432 0.192 8 0 "[ . 1 . 2]" 1
233 1 31 LEU HB2 1 39 GLN HG2 0.000 . 5.500 5.051 4.158 5.623 0.123 13 0 "[ . 1 . 2]" 1
234 1 31 LEU HB3 1 39 GLN HG2 0.000 . 5.500 4.540 3.918 5.290 . 0 0 "[ . 1 . 2]" 1
235 1 31 LEU HB3 1 39 GLN HG3 0.000 . 5.500 3.937 3.029 5.508 0.008 4 0 "[ . 1 . 2]" 1
236 1 31 LEU HB2 1 39 GLN HG3 0.000 . 5.500 4.687 3.511 5.661 0.161 19 0 "[ . 1 . 2]" 1
237 1 32 ASN QB 1 38 LEU HG 0.000 . 5.500 3.349 1.926 5.336 . 0 0 "[ . 1 . 2]" 1
238 1 36 CYS HB2 1 39 GLN HE21 0.000 . 5.500 4.548 3.137 5.546 0.046 14 0 "[ . 1 . 2]" 1
239 1 47 ASN HD21 1 49 ARG HD3 0.000 . 5.500 4.363 2.784 5.550 0.050 15 0 "[ . 1 . 2]" 1
240 1 47 ASN HD21 1 49 ARG HD2 0.000 . 5.500 3.944 2.528 5.521 0.021 9 0 "[ . 1 . 2]" 1
241 1 43 ARG HG2 1 44 LEU H 0.000 . 5.410 4.960 4.135 5.170 . 0 0 "[ . 1 . 2]" 1
242 1 43 ARG HG3 1 44 LEU H 0.000 . 5.390 5.444 5.030 5.538 0.148 12 0 "[ . 1 . 2]" 1
243 1 40 ILE HB 1 41 VAL H 0.000 . 5.500 4.181 4.036 4.309 . 0 0 "[ . 1 . 2]" 1
244 1 29 LYS HG2 1 41 VAL HB 0.000 . 4.950 4.414 3.911 4.756 . 0 0 "[ . 1 . 2]" 1
245 1 41 VAL HA 1 52 CYS HA 0.000 . 4.500 2.401 2.142 2.750 . 0 0 "[ . 1 . 2]" 1
246 1 27 HIS H 1 43 ARG HG2 0.000 . 5.500 4.906 4.662 5.510 0.010 2 0 "[ . 1 . 2]" 1
247 1 27 HIS H 1 43 ARG HG3 0.000 . 5.500 4.882 4.462 5.300 . 0 0 "[ . 1 . 2]" 1
248 1 44 LEU HG 1 49 ARG H 0.000 . 5.500 3.906 2.839 5.471 . 0 0 "[ . 1 . 2]" 1
249 1 25 VAL HA 1 45 LYS HE2 0.000 . 4.890 4.961 4.197 5.367 0.477 3 0 "[ . 1 . 2]" 1
250 1 49 ARG HA 1 49 ARG HD3 0.000 . 5.500 4.273 2.067 4.901 . 0 0 "[ . 1 . 2]" 1
251 1 49 ARG HA 1 49 ARG HD2 0.000 . 5.500 4.683 3.014 5.526 0.026 10 0 "[ . 1 . 2]" 1
252 1 42 ALA H 1 53 ILE HG13 0.000 . 5.500 3.523 3.249 3.781 . 0 0 "[ . 1 . 2]" 1
253 1 52 CYS HA 1 53 ILE HG12 0.000 . 5.500 4.499 4.244 4.797 . 0 0 "[ . 1 . 2]" 1
254 1 52 CYS HA 1 53 ILE MD 0.000 . 5.500 4.718 4.472 4.987 . 0 0 "[ . 1 . 2]" 1
255 1 54 ASP HB3 2 28 GLU HA 0.000 . 5.500 4.455 2.817 5.550 0.050 20 0 "[ . 1 . 2]" 1
256 1 40 ILE HG12 1 55 PRO HB2 0.000 . 4.690 4.170 3.853 5.198 0.508 11 1 "[ . 1+ . 2]" 1
257 1 40 ILE HG12 1 55 PRO HB3 0.000 . 4.500 2.474 2.123 3.659 . 0 0 "[ . 1 . 2]" 1
258 1 56 LYS HG2 1 57 CYS H 0.000 . 5.430 5.136 4.546 5.520 0.090 15 0 "[ . 1 . 2]" 1
259 1 58 LYS HA 1 61 GLN H 0.000 . 5.500 3.954 3.632 4.471 . 0 0 "[ . 1 . 2]" 1
260 1 60 CYS QB 1 61 GLN H 0.000 . 4.870 3.590 3.446 3.710 . 0 0 "[ . 1 . 2]" 1
261 1 62 GLU HA 1 65 GLU HG2 0.000 . 5.090 3.660 2.721 4.480 . 0 0 "[ . 1 . 2]" 1
262 1 66 LYS HA 1 68 LEU H 0.000 . 5.370 4.057 3.820 4.205 . 0 0 "[ . 1 . 2]" 1
263 1 64 LEU HA 1 68 LEU HG 0.000 . 5.500 4.180 3.524 4.768 . 0 0 "[ . 1 . 2]" 1
264 1 65 GLU HA 1 68 LEU HG 0.000 . 5.500 3.082 2.200 3.766 . 0 0 "[ . 1 . 2]" 1
265 1 59 TRP HA 1 61 GLN H 0.000 . 5.250 3.992 3.750 4.254 . 0 0 "[ . 1 . 2]" 1
266 1 62 GLU HA 1 66 LYS H 0.000 . 5.500 4.605 4.097 4.901 . 0 0 "[ . 1 . 2]" 1
267 1 43 ARG HG2 1 50 GLN HE21 0.000 . 5.500 5.085 3.363 5.661 0.161 19 0 "[ . 1 . 2]" 1
268 1 6 SER HB2 1 7 LEU H 0.000 . 5.500 3.971 2.761 4.615 . 0 0 "[ . 1 . 2]" 1
269 1 54 ASP HB2 1 55 PRO HD2 0.000 . 5.500 3.973 2.879 4.589 . 0 0 "[ . 1 . 2]" 1
270 1 57 CYS H 1 60 CYS QB 0.000 . 5.350 4.360 4.079 4.689 . 0 0 "[ . 1 . 2]" 1
271 1 54 ASP HB2 2 28 GLU HA 0.000 . 5.500 5.035 3.019 5.639 0.139 11 0 "[ . 1 . 2]" 1
272 1 34 PRO HA 1 36 CYS H 0.000 . 4.670 4.076 3.738 4.689 0.019 13 0 "[ . 1 . 2]" 1
273 1 56 LYS HA 1 61 GLN HE22 0.000 . 5.430 3.662 2.455 5.258 . 0 0 "[ . 1 . 2]" 1
274 1 28 LEU HG 1 42 ALA HA 0.000 . 4.200 2.627 1.976 3.453 . 0 0 "[ . 1 . 2]" 1
275 1 63 TYR HA 2 6 ILE MD 0.000 . 5.500 3.854 1.858 5.562 0.062 17 0 "[ . 1 . 2]" 1
276 1 53 ILE HA 1 54 ASP HB2 0.000 . 5.500 4.633 4.420 5.602 0.102 8 0 "[ . 1 . 2]" 1
277 1 53 ILE HA 1 54 ASP HB3 0.000 . 5.500 4.830 4.323 5.620 0.120 6 0 "[ . 1 . 2]" 1
278 1 20 VAL HB 1 59 TRP HE1 0.000 . 5.060 3.631 3.228 3.911 . 0 0 "[ . 1 . 2]" 1
279 1 27 HIS HB3 1 43 ARG HB3 0.000 . 5.230 3.678 3.288 4.016 . 0 0 "[ . 1 . 2]" 1
280 1 27 HIS HB3 1 43 ARG HB2 0.000 . 5.260 2.301 2.016 2.596 . 0 0 "[ . 1 . 2]" 1
281 1 27 HIS HB2 1 43 ARG HG2 0.000 . 5.240 5.316 5.130 5.392 0.152 2 0 "[ . 1 . 2]" 1
282 1 27 HIS HB2 1 43 ARG HB2 0.000 . 5.250 3.835 3.116 4.080 . 0 0 "[ . 1 . 2]" 1
283 1 29 LYS HB3 1 41 VAL HB 0.000 . 4.820 3.933 3.567 4.307 . 0 0 "[ . 1 . 2]" 1
284 1 29 LYS HB2 1 41 VAL HB 0.000 . 4.820 2.365 1.972 2.645 . 0 0 "[ . 1 . 2]" 1
285 1 38 LEU H 1 38 LEU HB2 0.000 . 3.600 2.581 2.420 2.780 . 0 0 "[ . 1 . 2]" 1
286 1 59 TRP H 1 60 CYS H 0.000 . 4.280 2.513 2.384 2.597 . 0 0 "[ . 1 . 2]" 1
287 1 47 ASN HB3 1 47 ASN HD22 0.000 . 4.080 3.559 3.482 3.806 . 0 0 "[ . 1 . 2]" 1
288 1 17 GLU H 1 52 CYS HB2 0.000 . 4.910 3.898 3.193 5.148 0.238 7 0 "[ . 1 . 2]" 1
289 1 17 GLU H 1 17 GLU HG3 0.000 . 4.350 4.375 4.153 4.444 0.094 2 0 "[ . 1 . 2]" 1
290 1 17 GLU H 1 17 GLU HG2 0.000 . 4.350 4.029 3.151 4.360 0.010 15 0 "[ . 1 . 2]" 1
291 1 17 GLU H 1 17 GLU HB3 0.000 . 4.080 2.876 2.579 3.577 . 0 0 "[ . 1 . 2]" 1
292 1 17 GLU H 1 17 GLU HB2 0.000 . 3.820 2.239 2.144 2.347 . 0 0 "[ . 1 . 2]" 1
293 1 16 PHE H 1 17 GLU H 0.000 . 5.030 4.418 4.348 4.562 . 0 0 "[ . 1 . 2]" 1
294 1 22 ARG HB3 1 23 ALA H 0.000 . 4.940 2.905 2.641 3.257 . 0 0 "[ . 1 . 2]" 1
295 1 22 ARG HB2 1 23 ALA H 0.000 . 4.170 4.028 3.895 4.210 0.040 12 0 "[ . 1 . 2]" 1
296 1 24 ASN H 1 25 VAL H 0.000 . 3.590 2.382 2.148 2.678 . 0 0 "[ . 1 . 2]" 1
297 1 23 ALA HA 1 25 VAL H 0.000 . 4.870 3.848 3.569 4.121 . 0 0 "[ . 1 . 2]" 1
298 1 24 ASN HB2 1 25 VAL H 0.000 . 5.000 4.379 4.257 4.468 . 0 0 "[ . 1 . 2]" 1
299 1 25 VAL H 1 45 LYS HE2 0.000 . 4.740 4.469 3.170 5.427 0.687 13 1 "[ . 1 + . 2]" 1
300 1 26 LYS H 1 27 HIS H 0.000 . 4.270 2.211 1.988 2.353 . 0 0 "[ . 1 . 2]" 1
301 1 25 VAL H 1 26 LYS H 0.000 . 5.200 4.420 4.308 4.492 . 0 0 "[ . 1 . 2]" 1
302 1 25 VAL HB 1 26 LYS H 0.000 . 4.510 3.122 2.935 3.284 . 0 0 "[ . 1 . 2]" 1
303 1 27 HIS H 1 43 ARG H 0.000 . 4.580 3.178 2.770 3.388 . 0 0 "[ . 1 . 2]" 1
304 1 29 LYS H 1 30 ILE H 0.000 . 4.740 4.318 4.208 4.398 . 0 0 "[ . 1 . 2]" 1
305 1 30 ILE H 1 30 ILE HB 0.000 . 3.620 2.732 2.471 3.011 . 0 0 "[ . 1 . 2]" 1
306 1 31 LEU H 1 39 GLN H 0.000 . 4.820 3.516 3.123 4.000 . 0 0 "[ . 1 . 2]" 1
307 1 31 LEU H 1 39 GLN HB3 0.000 . 5.250 4.979 4.643 5.696 0.446 4 0 "[ . 1 . 2]" 1
308 1 30 ILE HB 1 31 LEU H 0.000 . 4.690 4.250 3.884 4.398 . 0 0 "[ . 1 . 2]" 1
309 1 31 LEU HB3 1 33 THR H 0.000 . 4.940 4.096 3.060 4.962 0.022 9 0 "[ . 1 . 2]" 1
310 1 37 ALA H 1 38 LEU H 0.000 . 5.010 4.358 4.192 4.608 . 0 0 "[ . 1 . 2]" 1
311 1 38 LEU HA 1 39 GLN H 0.000 . 3.560 2.130 2.057 2.237 . 0 0 "[ . 1 . 2]" 1
312 1 31 LEU HB3 1 39 GLN H 0.000 . 4.180 2.879 2.010 3.667 . 0 0 "[ . 1 . 2]" 1
313 1 39 GLN HB3 1 40 ILE H 0.000 . 4.990 2.785 2.497 3.067 . 0 0 "[ . 1 . 2]" 1
314 1 40 ILE H 1 40 ILE HG13 0.000 . 4.610 3.772 2.413 4.078 . 0 0 "[ . 1 . 2]" 1
315 1 28 LEU HG 1 41 VAL H 0.000 . 5.090 4.984 4.617 5.175 0.085 2 0 "[ . 1 . 2]" 1
316 1 44 LEU H 1 44 LEU HG 0.000 . 3.880 3.096 2.287 4.083 0.203 19 0 "[ . 1 . 2]" 1
317 1 42 ALA H 1 52 CYS HA 0.000 . 4.590 3.070 2.788 3.385 . 0 0 "[ . 1 . 2]" 1
318 1 41 VAL HB 1 42 ALA H 0.000 . 4.880 4.288 4.189 4.361 . 0 0 "[ . 1 . 2]" 1
319 1 42 ALA H 1 51 VAL H 0.000 . 4.300 2.980 2.692 3.168 . 0 0 "[ . 1 . 2]" 1
320 1 26 LYS H 1 43 ARG H 0.000 . 4.670 4.233 4.037 4.363 . 0 0 "[ . 1 . 2]" 1
321 1 28 LEU HA 1 43 ARG H 0.000 . 4.870 3.182 3.019 3.562 . 0 0 "[ . 1 . 2]" 1
322 1 44 LEU HB2 1 45 LYS H 0.000 . 4.570 3.831 3.451 4.354 . 0 0 "[ . 1 . 2]" 1
323 1 45 LYS H 1 45 LYS HB3 0.000 . 3.700 3.602 2.717 3.683 . 0 0 "[ . 1 . 2]" 1
324 1 45 LYS H 1 45 LYS HG3 0.000 . 4.380 2.350 2.129 3.403 . 0 0 "[ . 1 . 2]" 1
325 1 44 LEU H 1 49 ARG H 0.000 . 4.740 3.260 2.274 3.632 . 0 0 "[ . 1 . 2]" 1
326 1 56 LYS H 1 57 CYS H 0.000 . 3.450 2.169 1.990 2.446 . 0 0 "[ . 1 . 2]" 1
327 1 55 PRO HA 1 57 CYS H 0.000 . 4.430 3.508 3.157 3.707 . 0 0 "[ . 1 . 2]" 1
328 1 57 CYS H 1 57 CYS HB3 0.000 . 3.850 2.650 2.422 2.842 . 0 0 "[ . 1 . 2]" 1
329 1 57 CYS H 1 57 CYS HB2 0.000 . 3.850 3.654 3.551 3.727 . 0 0 "[ . 1 . 2]" 1
330 1 56 LYS HG3 1 57 CYS H 0.000 . 5.430 4.539 4.081 5.150 . 0 0 "[ . 1 . 2]" 1
331 1 50 GLN H 1 51 VAL H 0.000 . 4.790 4.357 4.250 4.442 . 0 0 "[ . 1 . 2]" 1
332 1 49 ARG H 1 50 GLN H 0.000 . 4.620 4.555 4.255 4.648 0.028 10 0 "[ . 1 . 2]" 1
333 1 49 ARG HA 1 50 GLN H 0.000 . 3.280 2.251 2.123 2.367 . 0 0 "[ . 1 . 2]" 1
334 1 50 GLN H 1 50 GLN HB3 0.000 . 3.920 2.613 2.392 3.689 . 0 0 "[ . 1 . 2]" 1
335 1 50 GLN HB3 1 51 VAL H 0.000 . 4.470 3.933 2.862 4.158 . 0 0 "[ . 1 . 2]" 1
336 1 51 VAL H 1 52 CYS H 0.000 . 5.190 4.346 4.241 4.419 . 0 0 "[ . 1 . 2]" 1
337 1 16 PHE HA 1 52 CYS H 0.000 . 4.540 3.794 3.221 4.080 . 0 0 "[ . 1 . 2]" 1
338 1 51 VAL HA 1 52 CYS H 0.000 . 3.500 2.377 2.196 2.502 . 0 0 "[ . 1 . 2]" 1
339 1 52 CYS H 1 52 CYS HB2 0.000 . 4.070 2.501 2.355 2.754 . 0 0 "[ . 1 . 2]" 1
340 1 53 ILE H 1 53 ILE HG13 0.000 . 4.570 2.281 2.096 2.511 . 0 0 "[ . 1 . 2]" 1
341 1 54 ASP H 1 54 ASP HB3 0.000 . 3.770 2.562 2.343 3.522 . 0 0 "[ . 1 . 2]" 1
342 1 54 ASP H 1 54 ASP HB2 0.000 . 3.770 2.675 2.322 3.588 . 0 0 "[ . 1 . 2]" 1
343 1 17 GLU HB3 1 54 ASP H 0.000 . 5.500 4.601 3.949 5.515 0.015 15 0 "[ . 1 . 2]" 1
344 1 17 GLU HB2 1 54 ASP H 0.000 . 5.490 5.206 4.713 5.568 0.078 13 0 "[ . 1 . 2]" 1
345 1 53 ILE HG13 1 54 ASP H 0.000 . 5.500 5.152 5.047 5.236 . 0 0 "[ . 1 . 2]" 1
346 1 53 ILE HG12 1 54 ASP H 0.000 . 5.290 4.635 4.394 4.805 . 0 0 "[ . 1 . 2]" 1
347 1 56 LYS H 1 57 CYS HA 0.000 . 5.400 4.611 4.415 4.783 . 0 0 "[ . 1 . 2]" 1
348 1 54 ASP HA 1 56 LYS H 0.000 . 4.810 3.871 3.510 4.158 . 0 0 "[ . 1 . 2]" 1
349 1 55 PRO HD3 1 56 LYS H 0.000 . 4.580 4.211 3.984 4.472 . 0 0 "[ . 1 . 2]" 1
350 1 54 ASP HB3 1 56 LYS H 0.000 . 5.340 3.543 2.493 4.396 . 0 0 "[ . 1 . 2]" 1
351 1 54 ASP HB2 1 56 LYS H 0.000 . 5.340 4.456 3.138 5.036 . 0 0 "[ . 1 . 2]" 1
352 1 56 LYS H 1 56 LYS HB3 0.000 . 3.760 3.538 2.187 3.770 0.010 19 0 "[ . 1 . 2]" 1
353 1 56 LYS H 1 56 LYS HB2 0.000 . 3.760 2.435 2.307 2.712 . 0 0 "[ . 1 . 2]" 1
354 1 60 CYS H 1 61 GLN H 0.000 . 4.250 2.683 2.572 2.849 . 0 0 "[ . 1 . 2]" 1
355 1 62 GLU H 1 64 LEU H 0.000 . 5.320 3.980 3.905 4.153 . 0 0 "[ . 1 . 2]" 1
356 1 62 GLU H 1 63 TYR H 0.000 . 3.950 2.506 2.402 2.670 . 0 0 "[ . 1 . 2]" 1
357 1 68 LEU HB2 1 69 ASN H 0.000 . 4.500 3.101 2.519 3.704 . 0 0 "[ . 1 . 2]" 1
358 1 68 LEU HB3 1 69 ASN H 0.000 . 4.940 3.966 3.499 4.287 . 0 0 "[ . 1 . 2]" 1
359 1 63 TYR H 1 63 TYR HB2 0.000 . 4.070 3.162 2.664 3.616 . 0 0 "[ . 1 . 2]" 1
360 1 62 GLU HB3 1 63 TYR H 0.000 . 4.780 3.635 3.445 3.909 . 0 0 "[ . 1 . 2]" 1
361 1 63 TYR H 1 64 LEU H 0.000 . 4.000 2.611 2.384 2.770 . 0 0 "[ . 1 . 2]" 1
362 1 63 TYR HB2 1 64 LEU H 0.000 . 4.360 4.179 4.033 4.308 . 0 0 "[ . 1 . 2]" 1
363 1 62 GLU HA 1 65 GLU H 0.000 . 4.120 3.782 3.290 4.150 0.030 12 0 "[ . 1 . 2]" 1
364 1 65 GLU H 1 65 GLU HG3 0.000 . 4.360 3.454 1.894 3.762 . 0 0 "[ . 1 . 2]" 1
365 1 65 GLU H 1 65 GLU HG2 0.000 . 4.360 2.274 1.922 3.508 . 0 0 "[ . 1 . 2]" 1
366 1 65 GLU H 1 65 GLU HB3 0.000 . 3.470 3.502 2.570 3.643 0.173 11 0 "[ . 1 . 2]" 1
367 1 64 LEU HB2 1 65 GLU H 0.000 . 3.890 2.523 2.427 2.638 . 0 0 "[ . 1 . 2]" 1
368 1 64 LEU HB3 1 65 GLU H 0.000 . 4.270 3.351 3.261 3.501 . 0 0 "[ . 1 . 2]" 1
369 1 65 GLU HB2 1 66 LYS H 0.000 . 4.010 2.692 2.157 4.043 0.033 12 0 "[ . 1 . 2]" 1
370 1 66 LYS H 1 67 ALA H 0.000 . 3.560 2.531 2.424 2.690 . 0 0 "[ . 1 . 2]" 1
371 1 68 LEU H 1 68 LEU HB3 0.000 . 3.800 3.621 3.588 3.660 . 0 0 "[ . 1 . 2]" 1
372 1 39 GLN HB3 1 39 GLN HE22 0.000 . 5.400 4.657 3.988 5.279 . 0 0 "[ . 1 . 2]" 1
373 1 30 ILE H 1 31 LEU H 0.000 . 5.200 4.253 4.155 4.388 . 0 0 "[ . 1 . 2]" 1
374 1 27 HIS H 1 28 LEU H 0.000 . 4.730 4.228 4.163 4.364 . 0 0 "[ . 1 . 2]" 1
375 1 22 ARG H 1 59 TRP HE1 0.000 . 4.480 3.431 3.117 3.696 . 0 0 "[ . 1 . 2]" 1
376 1 41 VAL H 1 42 ALA H 0.000 . 5.170 4.311 4.199 4.418 . 0 0 "[ . 1 . 2]" 1
377 1 44 LEU H 1 50 GLN HA 0.000 . 3.650 3.434 3.129 3.692 0.042 5 0 "[ . 1 . 2]" 1
378 1 65 GLU H 1 67 ALA H 0.000 . 4.490 4.156 3.912 4.301 . 0 0 "[ . 1 . 2]" 1
379 1 17 GLU H 1 53 ILE HA 0.000 . 4.470 2.882 2.628 3.164 . 0 0 "[ . 1 . 2]" 1
380 1 64 LEU H 1 64 LEU HG 0.000 . 3.950 2.415 2.297 2.538 . 0 0 "[ . 1 . 2]" 1
381 1 68 LEU HA 1 70 LYS H 0.000 . 5.220 4.157 3.520 4.886 . 0 0 "[ . 1 . 2]" 1
382 1 47 ASN H 1 49 ARG H 0.000 . 4.800 4.381 3.962 4.840 0.040 19 0 "[ . 1 . 2]" 1
383 1 43 ARG HA 1 49 ARG H 0.000 . 5.410 4.878 3.853 5.282 . 0 0 "[ . 1 . 2]" 1
384 1 47 ASN HD21 1 49 ARG H 0.000 . 5.360 4.262 2.806 5.216 . 0 0 "[ . 1 . 2]" 1
385 1 44 LEU H 1 48 ASN H 0.000 . 5.500 4.416 4.040 4.892 . 0 0 "[ . 1 . 2]" 1
386 1 38 LEU H 1 39 GLN H 0.000 . 4.440 4.340 4.232 4.450 0.010 3 0 "[ . 1 . 2]" 1
387 1 8 SER HB2 1 9 TYR H 0.000 . 4.990 4.191 2.472 4.559 . 0 0 "[ . 1 . 2]" 1
388 1 21 ALA H 1 24 ASN HB3 0.000 . 5.500 4.128 2.936 4.869 . 0 0 "[ . 1 . 2]" 1
389 1 20 VAL H 1 21 ALA H 0.000 . 5.370 4.408 4.313 4.489 . 0 0 "[ . 1 . 2]" 1
390 1 21 ALA H 1 24 ASN HD22 0.000 . 5.500 3.487 2.688 5.078 . 0 0 "[ . 1 . 2]" 1
391 1 21 ALA H 1 22 ARG H 0.000 . 5.350 4.412 4.324 4.516 . 0 0 "[ . 1 . 2]" 1
392 1 58 LYS HA 1 60 CYS H 0.000 . 5.060 4.382 3.922 4.682 . 0 0 "[ . 1 . 2]" 1
393 1 59 TRP HD1 1 60 CYS H 0.000 . 5.310 4.241 3.908 4.541 . 0 0 "[ . 1 . 2]" 1
394 1 59 TRP HE3 1 60 CYS H 0.000 . 5.500 3.894 3.684 4.300 . 0 0 "[ . 1 . 2]" 1
395 1 59 TRP H 1 59 TRP HD1 0.000 . 4.320 2.713 2.448 2.906 . 0 0 "[ . 1 . 2]" 1
396 1 59 TRP H 1 61 GLN H 0.000 . 5.500 4.266 3.921 4.597 . 0 0 "[ . 1 . 2]" 1
397 1 65 GLU HG2 1 66 LYS H 0.000 . 5.320 4.189 2.861 4.630 . 0 0 "[ . 1 . 2]" 1
398 1 28 LEU H 1 29 LYS H 0.000 . 5.220 4.349 4.290 4.426 . 0 0 "[ . 1 . 2]" 1
399 1 25 VAL HA 1 45 LYS H 0.000 . 4.230 2.751 2.555 3.014 . 0 0 "[ . 1 . 2]" 1
400 1 26 LYS H 1 45 LYS H 0.000 . 4.670 3.569 3.322 3.872 . 0 0 "[ . 1 . 2]" 1
401 1 32 ASN HA 1 38 LEU H 0.000 . 5.500 5.001 4.494 5.463 . 0 0 "[ . 1 . 2]" 1
402 1 33 THR H 1 36 CYS H 0.000 . 5.360 4.670 4.213 5.048 . 0 0 "[ . 1 . 2]" 1
403 1 25 VAL HA 1 43 ARG H 0.000 . 5.360 4.611 4.418 4.776 . 0 0 "[ . 1 . 2]" 1
404 1 25 VAL HB 1 43 ARG H 0.000 . 5.390 3.237 2.921 3.419 . 0 0 "[ . 1 . 2]" 1
405 1 43 ARG H 1 44 LEU H 0.000 . 5.190 4.248 4.127 4.335 . 0 0 "[ . 1 . 2]" 1
406 1 43 ARG H 1 43 ARG HB3 0.000 . 3.990 3.632 3.511 3.770 . 0 0 "[ . 1 . 2]" 1
407 1 36 CYS H 1 37 ALA H 0.000 . 4.420 3.618 2.929 4.341 . 0 0 "[ . 1 . 2]" 1
408 1 36 CYS HB3 1 37 ALA H 0.000 . 4.650 2.466 1.851 3.302 . 0 0 "[ . 1 . 2]" 1
409 1 7 LEU H 1 7 LEU HG 0.000 . 4.400 3.600 2.102 4.632 0.232 5 0 "[ . 1 . 2]" 1
410 1 9 TYR HB3 1 10 ARG H 0.000 . 5.500 3.924 3.381 4.527 . 0 0 "[ . 1 . 2]" 1
411 1 13 CYS H 1 13 CYS HB3 0.000 . 4.190 3.166 2.341 3.834 . 0 0 "[ . 1 . 2]" 1
412 1 13 CYS H 1 31 LEU HG 0.000 . 5.500 4.942 2.589 5.568 0.068 3 0 "[ . 1 . 2]" 1
413 1 15 PHE H 1 16 PHE H 0.000 . 5.000 4.445 4.373 4.558 . 0 0 "[ . 1 . 2]" 1
414 1 17 GLU H 1 52 CYS HB3 0.000 . 5.110 4.406 3.622 4.945 . 0 0 "[ . 1 . 2]" 1
415 1 20 VAL HA 1 21 ALA H 0.000 . 3.350 2.113 2.022 2.199 . 0 0 "[ . 1 . 2]" 1
416 1 22 ARG H 1 59 TRP HZ2 0.000 . 5.500 4.426 3.972 5.026 . 0 0 "[ . 1 . 2]" 1
417 1 22 ARG H 1 22 ARG HD3 0.000 . 5.500 4.770 4.464 5.609 0.109 1 0 "[ . 1 . 2]" 1
418 1 22 ARG H 1 22 ARG HD2 0.000 . 5.500 4.905 4.382 5.637 0.137 6 0 "[ . 1 . 2]" 1
419 1 23 ALA H 1 24 ASN H 0.000 . 3.940 2.701 2.502 2.871 . 0 0 "[ . 1 . 2]" 1
420 1 22 ARG H 1 23 ALA H 0.000 . 4.090 2.603 2.465 2.719 . 0 0 "[ . 1 . 2]" 1
421 1 21 ALA HA 1 23 ALA H 0.000 . 5.030 3.667 3.334 3.884 . 0 0 "[ . 1 . 2]" 1
422 1 24 ASN HD21 1 44 LEU HB3 0.000 . 5.440 4.315 2.858 5.179 . 0 0 "[ . 1 . 2]" 1
423 1 20 VAL HA 1 24 ASN HD21 0.000 . 5.500 4.784 3.767 5.503 0.003 10 0 "[ . 1 . 2]" 1
424 1 21 ALA H 1 24 ASN HD21 0.000 . 4.860 4.131 3.099 4.506 . 0 0 "[ . 1 . 2]" 1
425 1 21 ALA HA 1 24 ASN H 0.000 . 4.900 4.506 4.323 4.919 0.019 12 0 "[ . 1 . 2]" 1
426 1 24 ASN H 1 24 ASN HB2 0.000 . 3.660 3.576 2.777 3.782 0.122 4 0 "[ . 1 . 2]" 1
427 1 22 ARG HA 1 24 ASN H 0.000 . 4.410 3.907 3.386 4.242 . 0 0 "[ . 1 . 2]" 1
428 1 24 ASN H 1 24 ASN HB3 0.000 . 3.860 2.907 2.337 3.273 . 0 0 "[ . 1 . 2]" 1
429 1 21 ALA H 1 24 ASN H 0.000 . 5.500 3.976 3.629 4.473 . 0 0 "[ . 1 . 2]" 1
430 1 23 ALA H 1 25 VAL H 0.000 . 5.400 4.258 4.088 4.574 . 0 0 "[ . 1 . 2]" 1
431 1 26 LYS H 1 45 LYS HA 0.000 . 5.500 3.651 3.172 4.127 . 0 0 "[ . 1 . 2]" 1
432 1 29 LYS H 1 42 ALA HA 0.000 . 4.760 3.391 2.918 3.890 . 0 0 "[ . 1 . 2]" 1
433 1 28 LEU HA 1 29 LYS H 0.000 . 3.570 2.358 2.218 2.458 . 0 0 "[ . 1 . 2]" 1
434 1 29 LYS H 1 41 VAL HB 0.000 . 4.940 3.328 2.535 3.936 . 0 0 "[ . 1 . 2]" 1
435 1 28 LEU HG 1 29 LYS H 0.000 . 3.760 3.606 3.169 3.838 0.078 2 0 "[ . 1 . 2]" 1
436 1 31 LEU HB2 1 32 ASN H 0.000 . 5.020 4.556 4.443 4.700 . 0 0 "[ . 1 . 2]" 1
437 1 35 ASN H 1 36 CYS H 0.000 . 3.860 2.501 2.401 2.637 . 0 0 "[ . 1 . 2]" 1
438 1 34 PRO HB3 1 35 ASN HD21 0.000 . 5.500 5.201 3.785 5.622 0.122 3 0 "[ . 1 . 2]" 1
439 1 34 PRO HB2 1 35 ASN HD21 0.000 . 5.500 3.713 2.194 4.850 . 0 0 "[ . 1 . 2]" 1
440 1 34 PRO HB3 1 35 ASN HD22 0.000 . 5.500 5.295 4.790 5.544 0.044 1 0 "[ . 1 . 2]" 1
441 1 34 PRO HB2 1 35 ASN HD22 0.000 . 5.500 3.750 3.251 4.690 . 0 0 "[ . 1 . 2]" 1
442 1 35 ASN HA 1 35 ASN HD22 0.000 . 5.500 4.078 3.498 4.531 . 0 0 "[ . 1 . 2]" 1
443 1 47 ASN HA 1 47 ASN HD22 0.000 . 4.790 4.652 3.960 4.815 0.025 2 0 "[ . 1 . 2]" 1
444 1 43 ARG HB2 1 44 LEU H 0.000 . 4.360 4.219 3.851 4.402 0.042 17 0 "[ . 1 . 2]" 1
445 1 41 VAL HA 1 42 ALA H 0.000 . 3.530 2.169 2.121 2.287 . 0 0 "[ . 1 . 2]" 1
446 1 47 ASN H 1 48 ASN H 0.000 . 5.310 2.347 2.150 2.502 . 0 0 "[ . 1 . 2]" 1
447 1 44 LEU HB3 1 47 ASN H 0.000 . 5.500 3.047 2.325 3.897 . 0 0 "[ . 1 . 2]" 1
448 1 61 GLN HA 1 61 GLN HE21 0.000 . 5.500 3.850 2.628 4.429 . 0 0 "[ . 1 . 2]" 1
449 1 56 LYS HA 1 61 GLN HE21 0.000 . 5.430 3.654 2.524 5.282 . 0 0 "[ . 1 . 2]" 1
450 1 61 GLN HA 1 61 GLN HE22 0.000 . 5.500 4.167 3.297 5.576 0.076 17 0 "[ . 1 . 2]" 1
451 1 42 ALA H 1 53 ILE H 0.000 . 5.210 4.140 3.828 4.435 . 0 0 "[ . 1 . 2]" 1
452 1 53 ILE H 1 54 ASP H 0.000 . 5.500 4.519 4.397 4.626 . 0 0 "[ . 1 . 2]" 1
453 1 41 VAL HA 1 53 ILE H 0.000 . 4.800 3.561 3.150 3.881 . 0 0 "[ . 1 . 2]" 1
454 1 52 CYS HB2 1 53 ILE H 0.000 . 5.160 4.059 3.927 4.272 . 0 0 "[ . 1 . 2]" 1
455 1 17 GLU HB2 1 52 CYS H 0.000 . 5.490 3.690 3.403 4.452 . 0 0 "[ . 1 . 2]" 1
456 1 59 TRP H 1 59 TRP HE1 0.000 . 5.370 4.551 4.396 4.717 . 0 0 "[ . 1 . 2]" 1
457 1 21 ALA HA 1 59 TRP HE1 0.000 . 4.200 3.079 2.605 3.577 . 0 0 "[ . 1 . 2]" 1
458 1 20 VAL HA 1 59 TRP HE1 0.000 . 5.500 4.954 4.709 5.333 . 0 0 "[ . 1 . 2]" 1
459 1 22 ARG HA 1 59 TRP HE1 0.000 . 5.340 4.664 4.199 5.106 . 0 0 "[ . 1 . 2]" 1
460 1 22 ARG HB3 1 59 TRP HE1 0.000 . 5.280 5.303 4.701 5.530 0.250 9 0 "[ . 1 . 2]" 1
461 1 59 TRP HA 1 62 GLU H 0.000 . 5.240 3.600 3.210 3.973 . 0 0 "[ . 1 . 2]" 1
462 1 67 ALA H 1 68 LEU H 0.000 . 3.040 2.634 2.415 2.795 . 0 0 "[ . 1 . 2]" 1
463 1 64 LEU HA 1 68 LEU H 0.000 . 5.140 4.453 3.974 4.954 . 0 0 "[ . 1 . 2]" 1
464 1 13 CYS H 1 13 CYS HB2 0.000 . 4.190 3.160 2.433 3.967 . 0 0 "[ . 1 . 2]" 1
465 1 4 PRO HA 1 5 VAL H 0.000 . 3.240 2.446 2.130 3.412 0.172 4 0 "[ . 1 . 2]" 1
466 1 22 ARG H 1 22 ARG HB2 0.000 . 3.840 2.496 2.325 2.855 . 0 0 "[ . 1 . 2]" 1
467 1 22 ARG H 1 22 ARG HG2 0.000 . 5.500 4.409 4.213 4.614 . 0 0 "[ . 1 . 2]" 1
468 1 22 ARG H 1 22 ARG HB3 0.000 . 3.920 2.398 2.199 2.628 . 0 0 "[ . 1 . 2]" 1
469 1 24 ASN HB3 1 25 VAL H 0.000 . 4.930 4.335 3.367 4.682 . 0 0 "[ . 1 . 2]" 1
470 1 41 VAL H 1 41 VAL HB 0.000 . 4.170 2.608 2.485 2.725 . 0 0 "[ . 1 . 2]" 1
471 1 52 CYS H 1 53 ILE HG13 0.000 . 5.500 5.122 4.805 5.351 . 0 0 "[ . 1 . 2]" 1
472 1 51 VAL H 1 51 VAL HB 0.000 . 4.080 3.226 3.125 3.387 . 0 0 "[ . 1 . 2]" 1
473 1 43 ARG HG2 1 51 VAL H 0.000 . 5.160 5.119 4.336 5.272 0.112 8 0 "[ . 1 . 2]" 1
474 1 50 GLN HA 1 51 VAL H 0.000 . 3.300 2.131 1.986 2.262 . 0 0 "[ . 1 . 2]" 1
475 1 21 ALA H 1 59 TRP HE1 0.000 . 5.500 4.608 4.305 5.119 . 0 0 "[ . 1 . 2]" 1
476 1 50 GLN HB2 1 50 GLN HE22 0.000 . 4.720 4.092 3.472 5.012 0.292 5 0 "[ . 1 . 2]" 1
477 1 32 ASN HA 1 39 GLN H 0.000 . 5.260 3.462 3.036 4.148 . 0 0 "[ . 1 . 2]" 1
478 1 11 CYS HA 1 13 CYS H 0.000 . 5.190 3.920 3.355 4.405 . 0 0 "[ . 1 . 2]" 1
479 1 17 GLU H 1 53 ILE HG13 0.000 . 5.500 5.417 5.271 5.542 0.042 3 0 "[ . 1 . 2]" 1
480 1 20 VAL H 1 59 TRP HE1 0.000 . 5.500 4.117 3.564 4.691 . 0 0 "[ . 1 . 2]" 1
481 1 33 THR HB 1 36 CYS H 0.000 . 5.280 2.844 2.234 3.507 . 0 0 "[ . 1 . 2]" 1
482 1 26 LYS H 1 45 LYS HB2 0.000 . 5.080 5.058 4.722 5.129 0.049 6 0 "[ . 1 . 2]" 1
483 1 26 LYS H 1 44 LEU HA 0.000 . 4.770 3.392 3.043 3.800 . 0 0 "[ . 1 . 2]" 1
484 1 27 HIS H 1 27 HIS HD2 0.000 . 5.500 5.356 5.101 5.556 0.056 2 0 "[ . 1 . 2]" 1
485 1 31 LEU H 1 32 ASN H 0.000 . 5.500 3.795 3.524 4.133 . 0 0 "[ . 1 . 2]" 1
486 1 32 ASN H 1 33 THR H 0.000 . 5.500 3.665 2.962 3.956 . 0 0 "[ . 1 . 2]" 1
487 1 33 THR H 1 37 ALA HA 0.000 . 5.450 5.161 4.701 5.508 0.058 4 0 "[ . 1 . 2]" 1
488 1 40 ILE H 1 53 ILE H 0.000 . 5.500 3.645 3.355 4.001 . 0 0 "[ . 1 . 2]" 1
489 1 31 LEU HB2 1 41 VAL H 0.000 . 5.130 4.313 3.951 4.831 . 0 0 "[ . 1 . 2]" 1
490 1 42 ALA H 1 43 ARG H 0.000 . 5.450 4.380 4.339 4.438 . 0 0 "[ . 1 . 2]" 1
491 1 44 LEU H 1 45 LYS H 0.000 . 4.910 4.533 4.389 4.652 . 0 0 "[ . 1 . 2]" 1
492 1 24 ASN HB2 1 45 LYS H 0.000 . 5.500 4.192 3.561 5.530 0.030 20 0 "[ . 1 . 2]" 1
493 1 45 LYS H 1 45 LYS HE2 0.000 . 5.420 5.206 4.094 5.522 0.102 20 0 "[ . 1 . 2]" 1
494 1 45 LYS H 1 45 LYS HE3 0.000 . 5.500 4.692 3.728 5.313 . 0 0 "[ . 1 . 2]" 1
495 1 45 LYS H 1 47 ASN H 0.000 . 5.500 3.904 3.683 4.359 . 0 0 "[ . 1 . 2]" 1
496 1 46 ASN HD22 1 47 ASN H 0.000 . 5.500 4.572 3.827 5.681 0.181 17 0 "[ . 1 . 2]" 1
497 1 46 ASN HD21 1 47 ASN H 0.000 . 5.500 4.470 3.710 5.169 . 0 0 "[ . 1 . 2]" 1
498 1 46 ASN HB2 1 47 ASN H 0.000 . 5.500 3.743 2.313 4.092 . 0 0 "[ . 1 . 2]" 1
499 1 46 ASN HB3 1 47 ASN H 0.000 . 5.500 3.827 2.664 4.187 . 0 0 "[ . 1 . 2]" 1
500 1 50 GLN H 1 50 GLN HB2 0.000 . 3.870 2.586 2.292 2.842 . 0 0 "[ . 1 . 2]" 1
501 1 17 GLU HG2 1 52 CYS H 0.000 . 5.470 5.254 4.473 5.536 0.066 13 0 "[ . 1 . 2]" 1
502 1 17 GLU HG3 1 52 CYS H 0.000 . 5.470 5.273 4.745 5.587 0.117 15 0 "[ . 1 . 2]" 1
503 1 22 ARG HB2 1 59 TRP HE1 0.000 . 5.500 4.297 3.817 4.905 . 0 0 "[ . 1 . 2]" 1
504 1 65 GLU H 1 66 LYS H 0.000 . 3.750 2.692 2.509 2.831 . 0 0 "[ . 1 . 2]" 1
505 1 62 GLU H 1 62 GLU HB3 0.000 . 3.670 3.595 3.549 3.641 . 0 0 "[ . 1 . 2]" 1
506 1 60 CYS H 1 62 GLU H 0.000 . 4.600 4.389 3.878 4.612 0.012 13 0 "[ . 1 . 2]" 1
507 1 61 GLN H 1 62 GLU H 0.000 . 2.740 2.700 2.557 2.771 0.031 2 0 "[ . 1 . 2]" 1
508 1 61 GLN H 1 63 TYR H 0.000 . 4.520 4.032 3.853 4.238 . 0 0 "[ . 1 . 2]" 1
509 1 54 ASP H 1 57 CYS H 0.000 . 5.250 5.285 5.113 5.355 0.105 17 0 "[ . 1 . 2]" 1
510 1 17 GLU H 1 54 ASP H 0.000 . 4.680 3.761 3.340 4.264 . 0 0 "[ . 1 . 2]" 1
511 1 62 GLU HB2 1 63 TYR H 0.000 . 4.780 2.616 2.298 2.969 . 0 0 "[ . 1 . 2]" 1
512 1 63 TYR H 1 63 TYR HB3 0.000 . 4.140 2.072 1.857 2.356 . 0 0 "[ . 1 . 2]" 1
513 1 64 LEU H 1 66 LYS H 0.000 . 5.190 4.262 4.076 4.394 . 0 0 "[ . 1 . 2]" 1
514 1 64 LEU H 1 65 GLU H 0.000 . 3.810 2.808 2.658 2.910 . 0 0 "[ . 1 . 2]" 1
515 1 66 LYS H 1 66 LYS HG3 0.000 . 4.460 3.631 2.145 4.089 . 0 0 "[ . 1 . 2]" 1
516 1 63 TYR HA 1 66 LYS H 0.000 . 4.780 3.709 3.377 4.124 . 0 0 "[ . 1 . 2]" 1
517 1 66 LYS H 1 68 LEU H 0.000 . 4.210 4.123 3.953 4.248 0.038 18 0 "[ . 1 . 2]" 1
518 1 63 TYR HA 1 67 ALA H 0.000 . 4.930 3.935 3.359 4.402 . 0 0 "[ . 1 . 2]" 1
519 1 68 LEU H 1 69 ASN H 0.000 . 3.050 2.721 2.545 2.875 . 0 0 "[ . 1 . 2]" 1
520 1 69 ASN H 1 70 LYS H 0.000 . 4.350 2.753 2.191 3.458 . 0 0 "[ . 1 . 2]" 1
521 1 70 LYS H 2 9 TYR HA 0.000 . 3.630 3.733 3.247 3.875 0.245 14 0 "[ . 1 . 2]" 1
522 1 67 ALA HA 1 70 LYS H 0.000 . 3.780 3.576 3.164 3.927 0.147 20 0 "[ . 1 . 2]" 1
523 1 27 HIS HB3 1 43 ARG H 0.000 . 4.680 3.791 3.036 4.050 . 0 0 "[ . 1 . 2]" 1
524 1 31 LEU H 1 40 ILE HA 0.000 . 3.720 3.343 2.917 3.749 0.029 3 0 "[ . 1 . 2]" 1
525 1 45 LYS H 1 49 ARG H 0.000 . 5.500 5.552 5.234 5.609 0.109 2 0 "[ . 1 . 2]" 1
526 1 56 LYS HB3 1 57 CYS H 0.000 . 3.970 4.052 3.386 4.157 0.187 9 0 "[ . 1 . 2]" 1
527 1 31 LEU H 1 38 LEU HA 0.000 . 5.500 5.058 4.547 5.513 0.013 10 0 "[ . 1 . 2]" 1
528 1 18 SER QB 1 19 HIS HE1 0.000 . 5.210 4.928 3.962 5.305 0.095 17 0 "[ . 1 . 2]" 1
529 1 27 HIS HE1 2 9 TYR HB3 0.000 . 4.850 4.860 4.653 4.959 0.109 18 0 "[ . 1 . 2]" 1
530 1 27 HIS HE1 2 8 ILE HB 0.000 . 4.730 3.811 3.066 4.666 . 0 0 "[ . 1 . 2]" 1
531 1 27 HIS HE1 1 29 LYS HG2 0.000 . 5.230 5.129 4.873 5.329 0.099 4 0 "[ . 1 . 2]" 1
532 1 59 TRP HE3 1 60 CYS HA 0.000 . 4.910 2.775 2.364 3.290 . 0 0 "[ . 1 . 2]" 1
533 1 18 SER QB 1 19 HIS HD2 0.000 . 4.310 3.631 2.117 4.406 0.096 13 0 "[ . 1 . 2]" 1
534 1 20 VAL HB 1 59 TRP HZ2 0.000 . 4.850 2.879 2.594 3.327 . 0 0 "[ . 1 . 2]" 1
535 1 59 TRP HZ3 1 60 CYS HA 0.000 . 5.500 3.430 3.046 3.905 . 0 0 "[ . 1 . 2]" 1
536 1 59 TRP HZ3 1 63 TYR HB2 0.000 . 5.280 3.193 2.735 3.429 . 0 0 "[ . 1 . 2]" 1
537 1 21 ALA HA 1 59 TRP HD1 0.000 . 4.860 4.042 3.616 4.248 . 0 0 "[ . 1 . 2]" 1
538 1 59 TRP HA 1 59 TRP HD1 0.000 . 5.120 4.568 4.494 4.639 . 0 0 "[ . 1 . 2]" 1
539 1 22 ARG H 1 59 TRP HD1 0.000 . 4.820 3.851 3.280 4.171 . 0 0 "[ . 1 . 2]" 1
540 1 19 HIS HA 1 19 HIS HD2 0.000 . 5.220 4.116 2.651 4.750 . 0 0 "[ . 1 . 2]" 1
541 1 22 ARG HB3 1 59 TRP HD1 0.000 . 5.300 4.990 4.164 5.475 0.175 16 0 "[ . 1 . 2]" 1
542 1 59 TRP HE3 1 60 CYS QB 0.000 . 5.500 3.965 3.570 4.530 . 0 0 "[ . 1 . 2]" 1
543 1 53 ILE HA 1 59 TRP HZ2 0.000 . 5.500 5.506 5.259 5.647 0.147 1 0 "[ . 1 . 2]" 1
544 1 53 ILE HG12 1 59 TRP HZ2 0.000 . 5.430 3.893 3.612 4.105 . 0 0 "[ . 1 . 2]" 1
545 1 59 TRP HH2 1 63 TYR HB3 0.000 . 5.500 5.368 4.908 5.850 0.350 6 0 "[ . 1 . 2]" 1
546 1 59 TRP HH2 1 60 CYS QB 0.000 . 5.500 4.081 3.667 5.022 . 0 0 "[ . 1 . 2]" 1
547 1 27 HIS HD2 1 29 LYS HG2 0.000 . 5.500 5.381 4.621 5.557 0.057 5 0 "[ . 1 . 2]" 1
548 1 27 HIS HD2 1 43 ARG HG3 0.000 . 4.390 2.720 2.215 3.742 . 0 0 "[ . 1 . 2]" 1
549 2 6 ILE H 2 6 ILE HG13 0.000 . 5.080 2.895 1.906 4.797 . 0 0 "[ . 1 . 2]" 1
550 2 6 ILE H 2 6 ILE MD 0.000 . 5.500 4.127 3.554 5.029 . 0 0 "[ . 1 . 2]" 1
551 2 8 ILE H 2 8 ILE MD 0.000 . 5.500 3.931 3.694 4.559 . 0 0 "[ . 1 . 2]" 1
552 2 8 ILE MD 2 9 TYR H 0.000 . 5.500 3.442 2.937 4.029 . 0 0 "[ . 1 . 2]" 1
553 2 27 LYS HB3 2 28 GLU H 0.000 . 5.100 4.410 3.788 4.591 . 0 0 "[ . 1 . 2]" 1
554 2 26 MET H 2 26 MET HG3 0.000 . 5.240 3.602 2.691 4.978 . 0 0 "[ . 1 . 2]" 1
555 2 6 ILE HA 2 7 SER HB2 0.000 . 5.500 4.903 4.245 5.732 0.232 19 0 "[ . 1 . 2]" 1
556 2 8 ILE H 2 8 ILE HG12 0.000 . 5.390 2.342 2.060 3.524 . 0 0 "[ . 1 . 2]" 1
557 2 8 ILE H 2 8 ILE HG13 0.000 . 5.340 3.151 2.868 4.351 . 0 0 "[ . 1 . 2]" 1
558 2 15 THR HB 2 16 GLU H 0.000 . 4.240 3.662 2.835 4.311 0.071 5 0 "[ . 1 . 2]" 1
559 2 15 THR HB 2 17 GLU H 0.000 . 5.500 5.438 5.060 5.711 0.211 7 0 "[ . 1 . 2]" 1
560 2 8 ILE HB 2 9 TYR H 0.000 . 5.500 1.947 1.769 2.284 . 0 0 "[ . 1 . 2]" 1
561 1 64 LEU HA 2 8 ILE MD 0.000 . 5.500 4.935 4.409 5.496 . 0 0 "[ . 1 . 2]" 1
562 2 26 MET HB3 2 27 LYS H 0.000 . 5.060 3.605 1.796 4.425 . 0 0 "[ . 1 . 2]" 1
563 2 26 MET HB2 2 27 LYS H 0.000 . 5.060 3.158 1.831 4.503 . 0 0 "[ . 1 . 2]" 1
564 2 28 GLU HB2 2 29 PRO HD3 0.000 . 5.500 4.051 2.656 5.005 . 0 0 "[ . 1 . 2]" 1
565 2 28 GLU HB3 2 29 PRO HD3 0.000 . 5.500 3.950 2.999 4.950 . 0 0 "[ . 1 . 2]" 1
566 2 28 GLU HB3 2 29 PRO HD2 0.000 . 5.500 3.544 2.372 4.682 . 0 0 "[ . 1 . 2]" 1
567 2 18 MET HB3 2 19 GLY H 0.000 . 5.360 4.158 3.011 4.556 . 0 0 "[ . 1 . 2]" 1
568 2 9 TYR HB2 2 10 THR H 0.000 . 5.500 2.658 2.447 2.867 . 0 0 "[ . 1 . 2]" 1
569 2 28 GLU H 2 29 PRO HD2 0.000 . 5.390 5.190 4.768 5.469 0.079 2 0 "[ . 1 . 2]" 1
570 2 28 GLU H 2 29 PRO HD3 0.000 . 5.500 4.655 4.111 5.174 . 0 0 "[ . 1 . 2]" 1
571 2 28 GLU HB2 2 29 PRO HD2 0.000 . 5.500 3.568 2.040 5.022 . 0 0 "[ . 1 . 2]" 1
572 2 22 ASP HB3 2 23 TYR H 0.000 . 5.500 3.750 2.698 4.333 . 0 0 "[ . 1 . 2]" 1
573 2 22 ASP HB2 2 23 TYR H 0.000 . 5.500 3.795 2.351 4.313 . 0 0 "[ . 1 . 2]" 1
574 2 24 ASP HB2 2 25 SER H 0.000 . 5.500 3.786 2.634 4.214 . 0 0 "[ . 1 . 2]" 1
575 2 11 SER HB3 2 12 ASP H 0.000 . 5.500 3.624 2.907 4.390 . 0 0 "[ . 1 . 2]" 1
576 2 6 ILE H 2 6 ILE HG12 0.000 . 5.280 3.819 2.995 4.691 . 0 0 "[ . 1 . 2]" 1
577 2 6 ILE HB 2 7 SER H 0.000 . 5.500 3.530 1.947 4.441 . 0 0 "[ . 1 . 2]" 1
578 2 7 SER HB2 2 8 ILE H 0.000 . 5.190 4.182 2.060 4.591 . 0 0 "[ . 1 . 2]" 1
579 2 14 TYR H 2 15 THR H 0.000 . 4.970 4.286 2.961 4.459 . 0 0 "[ . 1 . 2]" 1
580 2 13 ASN H 2 14 TYR H 0.000 . 4.900 4.187 3.963 4.339 . 0 0 "[ . 1 . 2]" 1
581 2 26 MET HA 2 28 GLU H 0.000 . 5.260 4.940 3.437 5.357 0.097 3 0 "[ . 1 . 2]" 1
582 2 15 THR H 2 16 GLU H 0.000 . 4.950 2.073 1.616 2.698 . 0 0 "[ . 1 . 2]" 1
583 2 5 GLY H 2 6 ILE H 0.000 . 5.500 3.989 2.520 4.593 . 0 0 "[ . 1 . 2]" 1
584 2 21 GLY H 2 22 ASP H 0.000 . 5.490 3.373 1.878 4.560 . 0 0 "[ . 1 . 2]" 1
585 2 24 ASP H 2 25 SER HA 0.000 . 5.500 5.010 4.475 5.386 . 0 0 "[ . 1 . 2]" 1
586 2 23 TYR HB2 2 24 ASP H 0.000 . 4.910 4.140 2.169 4.456 . 0 0 "[ . 1 . 2]" 1
587 2 23 TYR HB3 2 24 ASP H 0.000 . 4.960 3.573 2.184 4.493 . 0 0 "[ . 1 . 2]" 1
588 2 24 ASP HB3 2 25 SER H 0.000 . 5.500 3.455 2.345 4.226 . 0 0 "[ . 1 . 2]" 1
589 2 26 MET H 2 26 MET HG2 0.000 . 5.240 3.084 1.996 4.776 . 0 0 "[ . 1 . 2]" 1
590 2 26 MET H 2 27 LYS H 0.000 . 4.290 3.999 2.700 4.413 0.123 12 0 "[ . 1 . 2]" 1
591 2 26 MET HG3 2 27 LYS H 0.000 . 5.500 3.767 1.777 5.016 . 0 0 "[ . 1 . 2]" 1
592 2 30 ALA H 2 31 PHE H 0.000 . 4.760 3.093 1.630 4.019 . 0 0 "[ . 1 . 2]" 1
593 2 29 PRO HA 2 31 PHE H 0.000 . 5.500 4.791 3.683 5.543 0.043 3 0 "[ . 1 . 2]" 1
594 2 31 PHE HA 2 33 GLU H 0.000 . 5.500 4.734 3.600 5.592 0.092 14 0 "[ . 1 . 2]" 1
595 2 32 ARG HB3 2 33 GLU H 0.000 . 5.360 3.279 1.973 4.415 . 0 0 "[ . 1 . 2]" 1
596 2 32 ARG HB2 2 33 GLU H 0.000 . 5.110 3.761 1.964 4.606 . 0 0 "[ . 1 . 2]" 1
597 2 37 ASN HB3 2 38 PHE H 0.000 . 5.500 4.044 2.042 4.451 . 0 0 "[ . 1 . 2]" 1
598 2 39 ASN HB3 2 40 LYS H 0.000 . 5.500 3.809 2.002 4.522 . 0 0 "[ . 1 . 2]" 1
599 2 39 ASN HB2 2 40 LYS H 0.000 . 5.500 3.710 2.025 4.559 . 0 0 "[ . 1 . 2]" 1
600 2 6 ILE H 2 7 SER H 0.000 . 5.310 3.408 2.012 4.500 . 0 0 "[ . 1 . 2]" 1
601 2 8 ILE H 2 9 TYR H 0.000 . 5.500 4.272 4.113 4.624 . 0 0 "[ . 1 . 2]" 1
602 2 10 THR HB 2 11 SER H 0.000 . 5.500 3.867 2.679 4.251 . 0 0 "[ . 1 . 2]" 1
603 2 12 ASP H 2 13 ASN H 0.000 . 5.020 2.377 2.159 2.541 . 0 0 "[ . 1 . 2]" 1
604 2 20 SER HB2 2 21 GLY H 0.000 . 5.360 3.638 1.946 4.523 . 0 0 "[ . 1 . 2]" 1
605 2 34 GLU H 2 35 ASN H 0.000 . 4.440 3.151 2.105 4.504 0.064 13 0 "[ . 1 . 2]" 1
606 2 33 GLU H 2 34 GLU H 0.000 . 5.500 3.507 1.555 4.546 . 0 0 "[ . 1 . 2]" 1
607 2 32 ARG H 2 33 GLU H 0.000 . 5.390 3.063 1.910 4.306 . 0 0 "[ . 1 . 2]" 1
608 2 29 PRO HD3 2 30 ALA H 0.000 . 5.500 4.847 3.895 5.850 0.350 7 0 "[ . 1 . 2]" 1
609 2 27 LYS H 2 28 GLU H 0.000 . 4.290 3.236 1.865 3.937 . 0 0 "[ . 1 . 2]" 1
610 1 18 SER HA 2 27 LYS H 0.000 . 5.500 3.722 1.832 5.555 0.055 15 0 "[ . 1 . 2]" 1
611 2 24 ASP HA 2 26 MET H 0.000 . 5.500 5.025 3.642 5.577 0.077 20 0 "[ . 1 . 2]" 1
612 2 22 ASP H 2 23 TYR H 0.000 . 2.670 2.413 2.199 2.668 . 0 0 "[ . 1 . 2]" 1
613 2 11 SER HB2 2 12 ASP H 0.000 . 5.500 4.115 3.286 4.434 . 0 0 "[ . 1 . 2]" 1
614 2 16 GLU HA 2 17 GLU H 0.000 . 3.470 3.470 3.370 3.516 0.046 4 0 "[ . 1 . 2]" 1
615 2 10 THR H 2 11 SER H 0.000 . 5.500 4.442 4.308 4.567 . 0 0 "[ . 1 . 2]" 1
616 2 9 TYR HB3 2 10 THR H 0.000 . 5.500 3.941 3.770 4.105 . 0 0 "[ . 1 . 2]" 1
617 2 23 TYR H 2 24 ASP H 0.000 . 4.460 4.271 3.754 4.521 0.061 15 0 "[ . 1 . 2]" 1
618 2 25 SER H 2 26 MET H 0.000 . 4.410 3.965 2.562 4.429 0.019 1 0 "[ . 1 . 2]" 1
619 2 4 GLU H 2 5 GLY H 0.000 . 2.640 2.310 1.634 2.656 0.016 8 0 "[ . 1 . 2]" 1
620 2 26 MET HG2 2 27 LYS H 0.000 . 5.500 4.337 1.611 5.302 . 0 0 "[ . 1 . 2]" 1
621 2 18 MET HB2 2 19 GLY H 0.000 . 5.360 4.090 2.834 4.389 . 0 0 "[ . 1 . 2]" 1
622 2 11 SER H 2 12 ASP H 0.000 . 5.020 4.266 4.076 4.390 . 0 0 "[ . 1 . 2]" 1
623 2 16 GLU H 2 17 GLU H 0.000 . 4.510 2.576 2.445 2.740 . 0 0 "[ . 1 . 2]" 1
624 2 18 MET H 2 19 GLY H 0.000 . 3.200 2.130 1.928 2.443 . 0 0 "[ . 1 . 2]" 1
625 2 24 ASP H 2 25 SER H 0.000 . 3.690 2.486 2.257 2.854 . 0 0 "[ . 1 . 2]" 1
626 2 31 PHE H 2 32 ARG H 0.000 . 2.750 2.215 1.621 2.804 0.054 14 0 "[ . 1 . 2]" 1
627 2 27 LYS HB2 2 28 GLU H 0.000 . 5.100 4.380 3.891 4.549 . 0 0 "[ . 1 . 2]" 1
628 2 37 ASN HB2 2 38 PHE H 0.000 . 5.500 3.951 2.484 4.561 . 0 0 "[ . 1 . 2]" 1
629 1 11 CYS SG 1 36 CYS SG 2.000 . 2.100 2.026 2.012 2.044 . 0 0 "[ . 1 . 2]" 1
630 1 11 CYS SG 1 36 CYS CB 3.000 3.000 3.100 3.021 2.979 3.059 0.021 4 0 "[ . 1 . 2]" 1
631 1 11 CYS CB 1 36 CYS SG 3.000 3.000 3.100 3.065 3.036 3.132 0.032 15 0 "[ . 1 . 2]" 1
632 1 13 CYS SG 1 52 CYS SG 2.000 . 2.100 2.023 2.006 2.035 . 0 0 "[ . 1 . 2]" 1
633 1 13 CYS SG 1 52 CYS CB 3.000 3.000 3.100 3.020 2.967 3.093 0.033 9 0 "[ . 1 . 2]" 1
634 1 13 CYS CB 1 52 CYS SG 3.000 3.000 3.100 3.016 2.962 3.080 0.038 18 0 "[ . 1 . 2]" 1
635 1 57 CYS SG 1 60 CYS SG 2.000 . 2.100 2.029 2.013 2.035 . 0 0 "[ . 1 . 2]" 1
636 1 57 CYS SG 1 60 CYS CB 3.000 3.000 3.100 2.985 2.958 3.004 0.042 12 0 "[ . 1 . 2]" 1
637 1 57 CYS CB 1 60 CYS SG 3.000 3.000 3.100 3.120 3.088 3.140 0.040 4 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 732
_Distance_constraint_stats_list.Viol_count 1183
_Distance_constraint_stats_list.Viol_total 1485.847
_Distance_constraint_stats_list.Viol_max 0.520
_Distance_constraint_stats_list.Viol_rms 0.0228
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0628
_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 3 LYS 0.143 0.142 6 0 "[ . 1 . 2]"
1 4 PRO 0.142 0.142 6 0 "[ . 1 . 2]"
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.054 0.042 18 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 2.759 0.223 8 0 "[ . 1 . 2]"
1 10 ARG 0.066 0.038 13 0 "[ . 1 . 2]"
1 11 CYS 0.280 0.199 16 0 "[ . 1 . 2]"
1 12 PRO 1.713 0.174 7 0 "[ . 1 . 2]"
1 13 CYS 0.177 0.139 17 0 "[ . 1 . 2]"
1 14 ARG 0.759 0.067 6 0 "[ . 1 . 2]"
1 15 PHE 2.222 0.131 9 0 "[ . 1 . 2]"
1 16 PHE 3.425 0.206 20 0 "[ . 1 . 2]"
1 17 GLU 1.493 0.109 10 0 "[ . 1 . 2]"
1 18 SER 0.798 0.235 18 0 "[ . 1 . 2]"
1 19 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 VAL 2.032 0.180 8 0 "[ . 1 . 2]"
1 21 ALA 2.987 0.165 2 0 "[ . 1 . 2]"
1 22 ARG 1.048 0.165 5 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 1.940 0.174 8 0 "[ . 1 . 2]"
1 25 VAL 1.288 0.168 10 0 "[ . 1 . 2]"
1 26 LYS 1.582 0.145 3 0 "[ . 1 . 2]"
1 27 HIS 2.233 0.135 14 0 "[ . 1 . 2]"
1 28 LEU 5.263 0.202 4 0 "[ . 1 . 2]"
1 29 LYS 7.347 0.243 13 0 "[ . 1 . 2]"
1 30 ILE 3.419 0.175 8 0 "[ . 1 . 2]"
1 31 LEU 1.953 0.177 11 0 "[ . 1 . 2]"
1 32 ASN 2.742 0.212 15 0 "[ . 1 . 2]"
1 33 THR 0.417 0.162 15 0 "[ . 1 . 2]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.031 0.031 4 0 "[ . 1 . 2]"
1 38 LEU 1.287 0.115 9 0 "[ . 1 . 2]"
1 39 GLN 1.041 0.177 11 0 "[ . 1 . 2]"
1 40 ILE 0.154 0.042 12 0 "[ . 1 . 2]"
1 41 VAL 0.918 0.172 18 0 "[ . 1 . 2]"
1 42 ALA 1.123 0.165 5 0 "[ . 1 . 2]"
1 43 ARG 1.033 0.171 2 0 "[ . 1 . 2]"
1 44 LEU 2.218 0.174 8 0 "[ . 1 . 2]"
1 45 LYS 1.135 0.145 3 0 "[ . 1 . 2]"
1 47 ASN 0.643 0.095 11 0 "[ . 1 . 2]"
1 48 ASN 1.288 0.226 11 0 "[ . 1 . 2]"
1 49 ARG 3.508 0.237 16 0 "[ . 1 . 2]"
1 50 GLN 1.325 0.147 14 0 "[ . 1 . 2]"
1 51 VAL 2.997 0.220 17 0 "[ . 1 . 2]"
1 52 CYS 1.157 0.109 10 0 "[ . 1 . 2]"
1 53 ILE 2.683 0.168 10 0 "[ . 1 . 2]"
1 54 ASP 0.710 0.230 13 0 "[ . 1 . 2]"
1 55 PRO 2.033 0.520 12 2 "[ . - 1 + . 2]"
1 56 LYS 2.824 0.201 17 0 "[ . 1 . 2]"
1 57 CYS 0.220 0.123 15 0 "[ . 1 . 2]"
1 58 LYS 1.776 0.146 3 0 "[ . 1 . 2]"
1 59 TRP 5.563 0.180 8 0 "[ . 1 . 2]"
1 60 CYS 1.821 0.202 4 0 "[ . 1 . 2]"
1 61 GLN 1.808 0.159 9 0 "[ . 1 . 2]"
1 62 GLU 0.535 0.082 20 0 "[ . 1 . 2]"
1 63 TYR 6.987 0.175 8 0 "[ . 1 . 2]"
1 64 LEU 6.123 0.520 12 2 "[ . - 1 + . 2]"
1 65 GLU 1.021 0.102 6 0 "[ . 1 . 2]"
1 66 LYS 1.136 0.119 1 0 "[ . 1 . 2]"
1 67 ALA 5.837 0.212 15 0 "[ . 1 . 2]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASN 0.042 0.026 2 0 "[ . 1 . 2]"
1 70 LYS 0.827 0.169 11 0 "[ . 1 . 2]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ILE 1.330 0.160 11 0 "[ . 1 . 2]"
2 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 ILE 2.771 0.207 15 0 "[ . 1 . 2]"
2 9 TYR 4.608 0.243 13 0 "[ . 1 . 2]"
2 10 THR 0.946 0.080 19 0 "[ . 1 . 2]"
2 11 SER 0.160 0.073 7 0 "[ . 1 . 2]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ASN 0.032 0.032 5 0 "[ . 1 . 2]"
2 14 TYR 4.797 0.223 8 0 "[ . 1 . 2]"
2 15 THR 0.719 0.108 18 0 "[ . 1 . 2]"
2 16 GLU 0.020 0.012 18 0 "[ . 1 . 2]"
2 17 GLU 0.817 0.131 11 0 "[ . 1 . 2]"
2 18 MET 0.485 0.089 16 0 "[ . 1 . 2]"
2 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLY 0.255 0.066 11 0 "[ . 1 . 2]"
2 22 ASP 0.439 0.113 10 0 "[ . 1 . 2]"
2 23 TYR 3.661 0.220 17 0 "[ . 1 . 2]"
2 24 ASP 0.012 0.012 20 0 "[ . 1 . 2]"
2 25 SER 0.013 0.012 20 0 "[ . 1 . 2]"
2 26 MET 0.947 0.235 18 0 "[ . 1 . 2]"
2 27 LYS 0.351 0.096 20 0 "[ . 1 . 2]"
2 28 GLU 1.146 0.230 13 0 "[ . 1 . 2]"
2 29 PRO 0.218 0.082 13 0 "[ . 1 . 2]"
2 30 ALA 1.046 0.146 3 0 "[ . 1 . 2]"
2 31 PHE 2.516 0.174 15 0 "[ . 1 . 2]"
2 32 ARG 0.984 0.200 5 0 "[ . 1 . 2]"
2 33 GLU 1.029 0.200 5 0 "[ . 1 . 2]"
2 34 GLU 0.474 0.174 15 0 "[ . 1 . 2]"
2 35 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 ALA 0.343 0.099 18 0 "[ . 1 . 2]"
2 37 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 LYS 0.023 0.023 19 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 3 LYS HA 1 4 PRO QD . . 3.290 2.058 1.854 3.432 0.142 6 0 "[ . 1 . 2]" 2
2 1 3 LYS HA 1 4 PRO QG . . 5.500 3.940 3.687 5.274 . 0 0 "[ . 1 . 2]" 2
3 1 3 LYS QB 1 3 LYS QD . . 2.380 2.249 2.051 2.382 0.002 13 0 "[ . 1 . 2]" 2
4 1 3 LYS QB 1 4 PRO QD . . 4.090 2.927 2.006 3.663 . 0 0 "[ . 1 . 2]" 2
5 1 3 LYS QG 1 4 PRO HD3 . . 5.500 4.159 3.381 5.202 . 0 0 "[ . 1 . 2]" 2
6 1 5 VAL H 1 5 VAL QG . . 3.900 2.231 1.893 2.804 . 0 0 "[ . 1 . 2]" 2
7 1 5 VAL QG 1 6 SER H . . 5.420 3.237 2.405 3.801 . 0 0 "[ . 1 . 2]" 2
8 1 5 VAL QG 1 6 SER HA . . 5.430 3.927 3.182 4.351 . 0 0 "[ . 1 . 2]" 2
9 1 5 VAL QG 1 6 SER QB . . 5.500 4.351 2.759 5.019 . 0 0 "[ . 1 . 2]" 2
10 1 6 SER QB 1 7 LEU H . . 5.500 3.268 2.060 4.011 . 0 0 "[ . 1 . 2]" 2
11 1 7 LEU HA 1 7 LEU QD . . 3.790 2.733 2.077 3.436 . 0 0 "[ . 1 . 2]" 2
12 1 7 LEU HA 1 9 TYR QE . . 5.440 4.166 2.613 5.482 0.042 18 0 "[ . 1 . 2]" 2
13 1 7 LEU QB 1 7 LEU HG . . 2.700 2.364 2.279 2.432 . 0 0 "[ . 1 . 2]" 2
14 1 7 LEU QB 1 8 SER H . . 5.500 3.136 1.829 3.994 . 0 0 "[ . 1 . 2]" 2
15 1 8 SER QB 1 9 TYR H . . 4.990 3.616 2.248 4.027 . 0 0 "[ . 1 . 2]" 2
16 1 9 TYR H 1 9 TYR QD . . 4.870 2.394 1.678 3.617 . 0 0 "[ . 1 . 2]" 2
17 1 9 TYR H 1 9 TYR QE . . 5.500 4.181 3.701 4.954 . 0 0 "[ . 1 . 2]" 2
18 1 9 TYR HA 1 9 TYR QD . . 3.880 3.711 2.587 3.817 . 0 0 "[ . 1 . 2]" 2
19 1 9 TYR QD 1 10 ARG H . . 4.870 3.112 2.506 4.287 . 0 0 "[ . 1 . 2]" 2
20 1 9 TYR QD 2 13 ASN QB . . 5.500 3.763 2.321 5.532 0.032 5 0 "[ . 1 . 2]" 2
21 1 9 TYR QD 2 14 TYR H . . 4.670 4.098 2.923 4.768 0.098 1 0 "[ . 1 . 2]" 2
22 1 9 TYR QD 2 14 TYR HA . . 5.500 5.541 5.024 5.723 0.223 8 0 "[ . 1 . 2]" 2
23 1 9 TYR QD 2 18 MET HA . . 4.850 4.022 2.521 4.939 0.089 16 0 "[ . 1 . 2]" 2
24 1 9 TYR QD 2 18 MET QB . . 5.080 4.448 2.742 5.119 0.039 3 0 "[ . 1 . 2]" 2
25 1 9 TYR QE 1 10 ARG H . . 5.500 4.649 3.600 5.528 0.028 2 0 "[ . 1 . 2]" 2
26 1 9 TYR QE 1 11 CYS HA . . 5.360 4.615 3.272 5.559 0.199 16 0 "[ . 1 . 2]" 2
27 1 9 TYR QE 1 12 PRO HA . . 4.940 3.361 2.037 4.895 . 0 0 "[ . 1 . 2]" 2
28 1 9 TYR QE 1 12 PRO QD . . 5.080 2.984 1.969 4.156 . 0 0 "[ . 1 . 2]" 2
29 1 9 TYR QE 1 12 PRO QG . . 5.500 3.013 1.903 4.348 . 0 0 "[ . 1 . 2]" 2
30 1 9 TYR QE 2 13 ASN QB . . 5.500 3.320 1.835 5.247 . 0 0 "[ . 1 . 2]" 2
31 1 9 TYR QE 2 14 TYR H . . 5.500 2.595 1.616 3.419 . 0 0 "[ . 1 . 2]" 2
32 1 9 TYR QE 2 14 TYR HA . . 4.780 4.334 3.672 4.874 0.094 16 0 "[ . 1 . 2]" 2
33 1 9 TYR QE 2 18 MET HA . . 5.220 3.465 2.294 4.541 . 0 0 "[ . 1 . 2]" 2
34 1 9 TYR QE 2 18 MET QB . . 5.340 4.546 3.093 5.406 0.066 19 0 "[ . 1 . 2]" 2
35 1 10 ARG H 1 10 ARG QG . . 4.730 3.104 2.132 4.247 . 0 0 "[ . 1 . 2]" 2
36 1 10 ARG HA 1 10 ARG QD . . 5.010 3.884 2.083 4.359 . 0 0 "[ . 1 . 2]" 2
37 1 10 ARG QD 1 11 CYS H . . 5.500 4.260 3.449 5.538 0.038 13 0 "[ . 1 . 2]" 2
38 1 10 ARG QG 1 11 CYS H . . 5.310 3.625 1.637 4.159 . 0 0 "[ . 1 . 2]" 2
39 1 11 CYS H 1 12 PRO QD . . 5.040 4.193 3.924 4.452 . 0 0 "[ . 1 . 2]" 2
40 1 11 CYS HA 1 12 PRO QD . . 3.780 2.023 1.898 2.176 . 0 0 "[ . 1 . 2]" 2
41 1 11 CYS HA 1 12 PRO QG . . 4.830 3.906 3.791 4.007 . 0 0 "[ . 1 . 2]" 2
42 1 11 CYS HA 1 33 THR MG . . 5.140 4.053 2.376 5.162 0.022 13 0 "[ . 1 . 2]" 2
43 1 11 CYS HB3 1 12 PRO QD . . 4.690 3.224 2.489 3.717 . 0 0 "[ . 1 . 2]" 2
44 1 11 CYS QB 1 12 PRO QD . . 4.090 3.116 2.457 3.536 . 0 0 "[ . 1 . 2]" 2
45 1 11 CYS QB 1 13 CYS H . . 4.750 3.232 2.785 3.623 . 0 0 "[ . 1 . 2]" 2
46 1 11 CYS QB 1 36 CYS QB . . 4.630 3.422 2.652 3.857 . 0 0 "[ . 1 . 2]" 2
47 1 12 PRO QB 1 13 CYS H . . 4.090 2.941 2.406 3.495 . 0 0 "[ . 1 . 2]" 2
48 1 12 PRO QB 2 14 TYR QD . . 4.520 3.778 2.777 4.613 0.093 14 0 "[ . 1 . 2]" 2
49 1 12 PRO QD 1 13 CYS H . . 4.430 2.749 2.408 3.252 . 0 0 "[ . 1 . 2]" 2
50 1 12 PRO QD 2 14 TYR QD . . 4.670 4.441 3.129 4.844 0.174 7 0 "[ . 1 . 2]" 2
51 1 12 PRO QD 2 14 TYR QE . . 4.470 4.363 3.985 4.585 0.115 11 0 "[ . 1 . 2]" 2
52 1 12 PRO QD 1 31 LEU QD . . 4.680 2.690 1.739 3.721 . 0 0 "[ . 1 . 2]" 2
53 1 12 PRO QD 1 39 GLN HE21 . . 5.500 3.921 2.210 5.548 0.048 13 0 "[ . 1 . 2]" 2
54 1 12 PRO QD 1 39 GLN HE22 . . 5.500 3.295 1.772 5.137 . 0 0 "[ . 1 . 2]" 2
55 1 12 PRO QG 1 13 CYS H . . 4.260 2.987 2.053 4.091 . 0 0 "[ . 1 . 2]" 2
56 1 12 PRO QG 2 14 TYR QD . . 4.320 3.206 2.113 4.329 0.009 5 0 "[ . 1 . 2]" 2
57 1 12 PRO QG 1 31 LEU HG . . 5.110 3.058 1.966 4.703 . 0 0 "[ . 1 . 2]" 2
58 1 12 PRO QG 1 31 LEU QD . . 4.400 2.245 1.801 3.598 . 0 0 "[ . 1 . 2]" 2
59 1 12 PRO QG 1 33 THR MG . . 4.910 3.946 2.580 4.987 0.077 9 0 "[ . 1 . 2]" 2
60 1 12 PRO QG 1 39 GLN QE . . 5.340 4.248 3.050 5.392 0.052 15 0 "[ . 1 . 2]" 2
61 1 13 CYS H 1 13 CYS QB . . 3.680 2.695 2.236 3.293 . 0 0 "[ . 1 . 2]" 2
62 1 13 CYS H 1 31 LEU QD . . 5.170 4.243 2.115 5.309 0.139 17 0 "[ . 1 . 2]" 2
63 1 13 CYS H 1 39 GLN QE . . 5.240 3.379 2.054 4.856 . 0 0 "[ . 1 . 2]" 2
64 1 13 CYS QB 1 52 CYS HB3 . . 5.000 3.700 2.366 4.405 . 0 0 "[ . 1 . 2]" 2
65 1 14 ARG HA 1 14 ARG QD . . 4.630 4.064 2.110 4.549 . 0 0 "[ . 1 . 2]" 2
66 1 14 ARG HA 1 15 PHE QB . . 5.340 5.353 5.139 5.407 0.067 6 0 "[ . 1 . 2]" 2
67 1 14 ARG HA 1 16 PHE QE . . 5.500 5.069 3.483 5.529 0.029 12 0 "[ . 1 . 2]" 2
68 1 14 ARG HG3 1 15 PHE QD . . 5.500 3.967 1.968 5.373 . 0 0 "[ . 1 . 2]" 2
69 1 14 ARG HG3 1 15 PHE QE . . 5.500 4.379 2.891 5.551 0.051 9 0 "[ . 1 . 2]" 2
70 1 14 ARG QB 1 15 PHE H . . 4.370 2.942 2.204 3.756 . 0 0 "[ . 1 . 2]" 2
71 1 14 ARG QB 1 15 PHE QB . . 5.340 4.241 3.695 5.039 . 0 0 "[ . 1 . 2]" 2
72 1 14 ARG QB 1 15 PHE QD . . 4.500 3.228 2.359 4.502 0.002 10 0 "[ . 1 . 2]" 2
73 1 14 ARG QB 1 15 PHE QE . . 5.250 3.935 3.021 5.295 0.045 4 0 "[ . 1 . 2]" 2
74 1 14 ARG QD 1 15 PHE H . . 5.240 4.648 3.975 5.296 0.056 15 0 "[ . 1 . 2]" 2
75 1 14 ARG QD 1 15 PHE QD . . 5.090 3.777 2.873 4.481 . 0 0 "[ . 1 . 2]" 2
76 1 14 ARG QD 1 15 PHE QE . . 5.250 3.350 2.474 5.260 0.010 4 0 "[ . 1 . 2]" 2
77 1 15 PHE H 1 15 PHE QD . . 5.100 2.966 2.304 3.731 . 0 0 "[ . 1 . 2]" 2
78 1 15 PHE HA 1 15 PHE QD . . 4.270 2.758 2.128 3.701 . 0 0 "[ . 1 . 2]" 2
79 1 15 PHE HA 1 15 PHE QE . . 5.500 4.520 4.242 5.559 0.059 4 0 "[ . 1 . 2]" 2
80 1 15 PHE HA 1 16 PHE QD . . 4.900 3.808 2.939 4.401 . 0 0 "[ . 1 . 2]" 2
81 1 15 PHE QB 1 16 PHE H . . 3.930 2.447 2.206 2.741 . 0 0 "[ . 1 . 2]" 2
82 1 15 PHE QB 2 23 TYR QD . . 5.340 4.655 1.951 5.412 0.072 1 0 "[ . 1 . 2]" 2
83 1 15 PHE QD 1 16 PHE H . . 5.150 3.385 3.285 3.527 . 0 0 "[ . 1 . 2]" 2
84 1 15 PHE QE 1 16 PHE H . . 5.500 5.569 5.515 5.631 0.131 9 0 "[ . 1 . 2]" 2
85 1 16 PHE H 1 16 PHE QD . . 4.510 3.192 2.537 3.604 . 0 0 "[ . 1 . 2]" 2
86 1 16 PHE H 1 16 PHE QE . . 5.500 4.933 4.257 5.193 . 0 0 "[ . 1 . 2]" 2
87 1 16 PHE HA 1 16 PHE QE . . 5.500 4.672 4.596 4.885 . 0 0 "[ . 1 . 2]" 2
88 1 16 PHE QB 1 17 GLU H . . 4.150 2.613 2.480 2.781 . 0 0 "[ . 1 . 2]" 2
89 1 16 PHE QB 1 52 CYS H . . 5.350 5.310 4.822 5.415 0.065 17 0 "[ . 1 . 2]" 2
90 1 16 PHE QB 1 54 ASP H . . 4.720 3.002 2.691 3.643 . 0 0 "[ . 1 . 2]" 2
91 1 16 PHE QB 1 54 ASP HA . . 4.990 2.540 2.161 3.512 . 0 0 "[ . 1 . 2]" 2
92 1 16 PHE QB 1 54 ASP HB3 . . 5.500 3.765 3.344 4.452 . 0 0 "[ . 1 . 2]" 2
93 1 16 PHE QB 1 54 ASP QB . . 4.700 2.488 2.050 3.897 . 0 0 "[ . 1 . 2]" 2
94 1 16 PHE QD 1 17 GLU H . . 4.760 3.976 3.773 4.290 . 0 0 "[ . 1 . 2]" 2
95 1 16 PHE QD 2 26 MET QB . . 5.340 3.745 2.164 5.546 0.206 20 0 "[ . 1 . 2]" 2
96 1 16 PHE QD 1 52 CYS HB3 . . 4.640 2.309 1.844 3.098 . 0 0 "[ . 1 . 2]" 2
97 1 16 PHE QD 1 53 ILE HA . . 5.500 4.333 3.747 4.953 . 0 0 "[ . 1 . 2]" 2
98 1 16 PHE QD 1 54 ASP H . . 5.130 4.427 3.854 4.808 . 0 0 "[ . 1 . 2]" 2
99 1 16 PHE QD 1 54 ASP HA . . 4.610 3.126 2.735 3.336 . 0 0 "[ . 1 . 2]" 2
100 1 16 PHE QD 1 54 ASP HB3 . . 5.330 5.084 4.370 5.389 0.059 10 0 "[ . 1 . 2]" 2
101 1 16 PHE QD 1 54 ASP QB . . 4.660 3.836 2.837 4.713 0.053 6 0 "[ . 1 . 2]" 2
102 1 16 PHE QD 1 55 PRO HD3 . . 5.500 3.506 3.098 3.959 . 0 0 "[ . 1 . 2]" 2
103 1 16 PHE QD 1 55 PRO QG . . 5.170 4.703 4.374 5.199 0.029 8 0 "[ . 1 . 2]" 2
104 1 16 PHE QE 1 37 ALA MB . . 5.500 4.542 3.679 5.531 0.031 4 0 "[ . 1 . 2]" 2
105 1 16 PHE QE 1 39 GLN QG . . 5.220 2.840 2.203 4.502 . 0 0 "[ . 1 . 2]" 2
106 1 16 PHE QE 1 52 CYS HB3 . . 4.940 3.429 2.886 4.370 . 0 0 "[ . 1 . 2]" 2
107 1 16 PHE QE 1 54 ASP HA . . 5.360 4.209 3.772 4.481 . 0 0 "[ . 1 . 2]" 2
108 1 16 PHE QE 1 55 PRO HD3 . . 5.500 3.356 2.659 3.717 . 0 0 "[ . 1 . 2]" 2
109 1 16 PHE QE 1 55 PRO QG . . 5.350 3.865 3.520 4.286 . 0 0 "[ . 1 . 2]" 2
110 1 16 PHE QE 1 56 LYS QE . . 5.500 5.420 4.533 5.667 0.167 13 0 "[ . 1 . 2]" 2
111 1 17 GLU H 1 17 GLU QG . . 3.790 3.705 3.069 3.871 0.081 15 0 "[ . 1 . 2]" 2
112 1 17 GLU H 1 20 VAL QG . . 4.630 3.728 3.483 3.923 . 0 0 "[ . 1 . 2]" 2
113 1 17 GLU H 1 51 VAL MG2 . . 4.520 3.227 2.883 3.467 . 0 0 "[ . 1 . 2]" 2
114 1 17 GLU HA 1 20 VAL QG . . 5.040 4.266 4.105 4.476 . 0 0 "[ . 1 . 2]" 2
115 1 17 GLU HB2 1 51 VAL MG1 . . 4.070 3.550 2.723 4.130 0.060 14 0 "[ . 1 . 2]" 2
116 1 17 GLU HB2 1 51 VAL MG2 . . 4.600 2.048 1.882 2.612 . 0 0 "[ . 1 . 2]" 2
117 1 17 GLU HG3 1 20 VAL QG . . 4.590 3.098 2.460 4.312 . 0 0 "[ . 1 . 2]" 2
118 1 17 GLU HG3 1 51 VAL MG2 . . 4.700 2.271 1.985 3.389 . 0 0 "[ . 1 . 2]" 2
119 1 17 GLU QG 1 20 VAL QG . . 3.880 2.975 2.430 3.811 . 0 0 "[ . 1 . 2]" 2
120 1 17 GLU QG 1 51 VAL HB . . 4.710 4.232 3.900 4.726 0.016 1 0 "[ . 1 . 2]" 2
121 1 17 GLU QG 1 51 VAL MG1 . . 3.980 3.359 2.479 4.065 0.085 15 0 "[ . 1 . 2]" 2
122 1 17 GLU QG 1 52 CYS H . . 4.730 4.667 4.094 4.839 0.109 10 0 "[ . 1 . 2]" 2
123 1 18 SER QB 1 19 HIS QB . . 5.350 3.978 3.512 4.947 . 0 0 "[ . 1 . 2]" 2
124 1 18 SER QB 2 26 MET QB . . 5.340 4.344 2.955 5.361 0.021 9 0 "[ . 1 . 2]" 2
125 1 18 SER QB 2 26 MET QG . . 5.340 4.707 1.903 5.575 0.235 18 0 "[ . 1 . 2]" 2
126 1 18 SER QB 2 28 GLU QB . . 5.340 4.060 2.433 5.500 0.160 14 0 "[ . 1 . 2]" 2
127 1 19 HIS QB 1 20 VAL H . . 4.970 3.743 3.608 3.914 . 0 0 "[ . 1 . 2]" 2
128 1 20 VAL H 1 20 VAL QG . . 3.820 2.422 2.204 2.691 . 0 0 "[ . 1 . 2]" 2
129 1 20 VAL H 1 53 ILE MG . . 5.230 3.240 2.170 3.868 . 0 0 "[ . 1 . 2]" 2
130 1 20 VAL HA 1 21 ALA MB . . 4.680 3.825 3.727 3.943 . 0 0 "[ . 1 . 2]" 2
131 1 20 VAL HB 1 53 ILE MG . . 5.340 1.946 1.836 2.076 . 0 0 "[ . 1 . 2]" 2
132 1 20 VAL QG 1 21 ALA H . . 3.720 2.347 2.165 2.564 . 0 0 "[ . 1 . 2]" 2
133 1 20 VAL QG 1 21 ALA HA . . 4.870 3.739 3.628 3.849 . 0 0 "[ . 1 . 2]" 2
134 1 20 VAL QG 1 24 ASN H . . 4.780 4.130 3.908 4.440 . 0 0 "[ . 1 . 2]" 2
135 1 20 VAL QG 1 24 ASN HB2 . . 4.780 4.657 3.796 4.834 0.054 5 0 "[ . 1 . 2]" 2
136 1 20 VAL QG 1 24 ASN HD21 . . 4.870 3.386 2.443 4.108 . 0 0 "[ . 1 . 2]" 2
137 1 20 VAL QG 1 24 ASN HD22 . . 5.210 2.522 1.643 4.337 . 0 0 "[ . 1 . 2]" 2
138 1 20 VAL QG 1 25 VAL H . . 4.780 4.538 4.174 4.786 0.006 17 0 "[ . 1 . 2]" 2
139 1 20 VAL QG 1 25 VAL QG . . 2.810 2.251 1.938 2.589 . 0 0 "[ . 1 . 2]" 2
140 1 20 VAL QG 1 53 ILE HA . . 5.500 2.629 2.255 2.919 . 0 0 "[ . 1 . 2]" 2
141 1 20 VAL QG 1 53 ILE HG12 . . 4.480 1.886 1.717 2.069 . 0 0 "[ . 1 . 2]" 2
142 1 20 VAL QG 1 53 ILE MD . . 3.400 2.133 1.902 2.282 . 0 0 "[ . 1 . 2]" 2
143 1 20 VAL QG 1 53 ILE MG . . 3.680 2.333 2.122 2.608 . 0 0 "[ . 1 . 2]" 2
144 1 20 VAL QG 1 54 ASP H . . 5.500 3.706 3.273 4.263 . 0 0 "[ . 1 . 2]" 2
145 1 20 VAL QG 1 59 TRP HD1 . . 5.500 5.591 5.504 5.680 0.180 8 0 "[ . 1 . 2]" 2
146 1 20 VAL QG 1 59 TRP HE1 . . 4.530 3.659 3.512 3.789 . 0 0 "[ . 1 . 2]" 2
147 1 20 VAL QG 1 59 TRP HH2 . . 4.760 3.916 3.426 4.485 . 0 0 "[ . 1 . 2]" 2
148 1 20 VAL QG 1 59 TRP HZ2 . . 4.020 2.579 2.099 3.135 . 0 0 "[ . 1 . 2]" 2
149 1 21 ALA H 1 21 ALA MB . . 3.400 2.269 2.176 2.394 . 0 0 "[ . 1 . 2]" 2
150 1 21 ALA H 1 53 ILE MG . . 5.210 5.267 5.177 5.319 0.109 13 0 "[ . 1 . 2]" 2
151 1 21 ALA MB 1 22 ARG H . . 3.820 2.977 2.910 3.064 . 0 0 "[ . 1 . 2]" 2
152 1 21 ALA MB 1 23 ALA H . . 3.820 2.467 2.128 2.773 . 0 0 "[ . 1 . 2]" 2
153 1 21 ALA MB 1 24 ASN H . . 3.920 2.655 2.205 3.264 . 0 0 "[ . 1 . 2]" 2
154 1 21 ALA MB 1 24 ASN HB2 . . 4.850 3.963 2.066 4.786 . 0 0 "[ . 1 . 2]" 2
155 1 21 ALA MB 1 24 ASN HD21 . . 4.540 4.347 3.491 4.705 0.165 2 0 "[ . 1 . 2]" 2
156 1 21 ALA MB 1 24 ASN HD22 . . 4.690 4.287 3.742 4.812 0.122 6 0 "[ . 1 . 2]" 2
157 1 21 ALA MB 1 25 VAL QG . . 4.710 4.131 3.928 4.565 . 0 0 "[ . 1 . 2]" 2
158 1 21 ALA MB 1 59 TRP HD1 . . 5.400 5.277 4.862 5.487 0.087 7 0 "[ . 1 . 2]" 2
159 1 21 ALA MB 1 59 TRP HE1 . . 4.990 4.598 4.232 5.015 0.025 12 0 "[ . 1 . 2]" 2
160 1 22 ARG H 1 22 ARG QG . . 4.680 3.940 3.835 4.095 . 0 0 "[ . 1 . 2]" 2
161 1 22 ARG H 1 23 ALA MB . . 5.030 4.262 4.092 4.352 . 0 0 "[ . 1 . 2]" 2
162 1 22 ARG H 1 25 VAL MG1 . . 5.500 5.400 4.941 5.584 0.084 15 0 "[ . 1 . 2]" 2
163 1 22 ARG H 1 25 VAL MG2 . . 5.500 4.492 4.046 4.919 . 0 0 "[ . 1 . 2]" 2
164 1 22 ARG H 1 25 VAL QG . . 4.840 4.268 3.950 4.601 . 0 0 "[ . 1 . 2]" 2
165 1 22 ARG HA 1 22 ARG QD . . 4.480 3.840 2.366 4.074 . 0 0 "[ . 1 . 2]" 2
166 1 22 ARG HA 1 25 VAL MG1 . . 5.500 3.898 3.276 4.283 . 0 0 "[ . 1 . 2]" 2
167 1 22 ARG HA 1 25 VAL MG2 . . 5.500 2.340 1.900 2.739 . 0 0 "[ . 1 . 2]" 2
168 1 22 ARG HA 1 25 VAL QG . . 4.190 2.316 1.893 2.698 . 0 0 "[ . 1 . 2]" 2
169 1 22 ARG HA 1 42 ALA MB . . 5.500 5.448 4.999 5.665 0.165 5 0 "[ . 1 . 2]" 2
170 1 22 ARG HB3 1 25 VAL QG . . 5.400 4.566 4.088 4.892 . 0 0 "[ . 1 . 2]" 2
171 1 22 ARG QD 1 59 TRP HE3 . . 5.340 3.192 2.632 4.425 . 0 0 "[ . 1 . 2]" 2
172 1 22 ARG QG 2 6 ILE MD . . 4.700 2.623 1.897 4.713 0.013 20 0 "[ . 1 . 2]" 2
173 1 22 ARG QG 1 23 ALA H . . 5.340 3.849 3.298 4.481 . 0 0 "[ . 1 . 2]" 2
174 1 23 ALA H 1 23 ALA MB . . 3.460 2.246 2.208 2.290 . 0 0 "[ . 1 . 2]" 2
175 1 23 ALA H 1 25 VAL QG . . 5.440 4.140 3.908 4.362 . 0 0 "[ . 1 . 2]" 2
176 1 23 ALA MB 1 24 ASN H . . 3.930 3.142 2.942 3.336 . 0 0 "[ . 1 . 2]" 2
177 1 23 ALA MB 1 24 ASN HA . . 5.500 3.979 3.849 4.090 . 0 0 "[ . 1 . 2]" 2
178 1 23 ALA MB 1 24 ASN HB2 . . 5.500 5.083 4.125 5.473 . 0 0 "[ . 1 . 2]" 2
179 1 23 ALA MB 1 25 VAL H . . 5.020 4.506 4.381 4.576 . 0 0 "[ . 1 . 2]" 2
180 1 24 ASN H 1 25 VAL MG1 . . 5.000 3.576 3.345 3.799 . 0 0 "[ . 1 . 2]" 2
181 1 24 ASN H 1 25 VAL MG2 . . 5.000 3.400 3.146 3.701 . 0 0 "[ . 1 . 2]" 2
182 1 24 ASN H 1 25 VAL QG . . 3.920 3.092 2.964 3.245 . 0 0 "[ . 1 . 2]" 2
183 1 24 ASN H 1 45 LYS QD . . 5.500 4.973 4.072 5.519 0.019 5 0 "[ . 1 . 2]" 2
184 1 24 ASN HA 1 44 LEU QD . . 5.040 4.389 3.661 4.802 . 0 0 "[ . 1 . 2]" 2
185 1 24 ASN HA 1 45 LYS QD . . 4.670 2.980 2.385 4.079 . 0 0 "[ . 1 . 2]" 2
186 1 24 ASN HB2 1 44 LEU MD1 . . 5.500 4.081 2.420 5.674 0.174 8 0 "[ . 1 . 2]" 2
187 1 24 ASN HB2 1 44 LEU MD2 . . 5.500 3.392 2.363 5.027 . 0 0 "[ . 1 . 2]" 2
188 1 24 ASN HB2 1 44 LEU QD . . 4.480 3.196 2.304 4.497 0.017 6 0 "[ . 1 . 2]" 2
189 1 24 ASN HD21 1 44 LEU MD1 . . 4.880 3.218 2.473 4.168 . 0 0 "[ . 1 . 2]" 2
190 1 24 ASN HD21 1 44 LEU MD2 . . 4.880 2.454 1.619 3.181 . 0 0 "[ . 1 . 2]" 2
191 1 24 ASN HD21 1 44 LEU QD . . 4.220 2.325 1.616 2.859 . 0 0 "[ . 1 . 2]" 2
192 1 24 ASN HD22 1 44 LEU MD1 . . 4.820 3.295 2.100 4.247 . 0 0 "[ . 1 . 2]" 2
193 1 24 ASN HD22 1 44 LEU MD2 . . 4.820 2.806 1.886 4.523 . 0 0 "[ . 1 . 2]" 2
194 1 25 VAL H 1 25 VAL QG . . 3.480 2.073 1.942 2.146 . 0 0 "[ . 1 . 2]" 2
195 1 25 VAL H 1 42 ALA MB . . 5.500 5.260 5.104 5.436 . 0 0 "[ . 1 . 2]" 2
196 1 25 VAL H 1 45 LYS QD . . 5.410 4.124 2.865 4.486 . 0 0 "[ . 1 . 2]" 2
197 1 25 VAL HA 1 42 ALA MB . . 5.130 4.123 3.863 4.301 . 0 0 "[ . 1 . 2]" 2
198 1 25 VAL HA 1 45 LYS QD . . 5.500 4.590 2.920 4.892 . 0 0 "[ . 1 . 2]" 2
199 1 25 VAL HB 1 42 ALA MB . . 4.610 2.321 2.064 2.613 . 0 0 "[ . 1 . 2]" 2
200 1 25 VAL MG1 1 26 LYS H . . 4.950 3.902 3.772 3.995 . 0 0 "[ . 1 . 2]" 2
201 1 25 VAL MG1 1 27 HIS H . . 4.840 4.521 4.223 4.856 0.016 19 0 "[ . 1 . 2]" 2
202 1 25 VAL MG1 1 42 ALA HA . . 5.500 4.175 4.009 4.355 . 0 0 "[ . 1 . 2]" 2
203 1 25 VAL MG1 1 42 ALA MB . . 3.060 1.995 1.897 2.146 . 0 0 "[ . 1 . 2]" 2
204 1 25 VAL MG1 1 43 ARG H . . 4.700 3.750 3.410 4.089 . 0 0 "[ . 1 . 2]" 2
205 1 25 VAL MG1 1 44 LEU HA . . 5.500 2.607 2.231 3.021 . 0 0 "[ . 1 . 2]" 2
206 1 25 VAL MG1 1 59 TRP HH2 . . 5.250 4.036 3.422 4.569 . 0 0 "[ . 1 . 2]" 2
207 1 25 VAL MG1 1 59 TRP HZ2 . . 5.500 4.072 3.675 4.513 . 0 0 "[ . 1 . 2]" 2
208 1 25 VAL MG2 1 26 LYS H . . 4.950 3.942 3.725 4.074 . 0 0 "[ . 1 . 2]" 2
209 1 25 VAL MG2 1 27 HIS H . . 4.840 4.032 3.525 4.509 . 0 0 "[ . 1 . 2]" 2
210 1 25 VAL MG2 1 42 ALA HA . . 5.500 4.741 4.354 4.987 . 0 0 "[ . 1 . 2]" 2
211 1 25 VAL MG2 1 42 ALA MB . . 3.060 2.850 2.469 3.071 0.011 8 0 "[ . 1 . 2]" 2
212 1 25 VAL MG2 1 43 ARG H . . 4.700 4.570 4.069 4.733 0.033 2 0 "[ . 1 . 2]" 2
213 1 25 VAL MG2 1 44 LEU HA . . 5.500 4.705 4.505 4.864 . 0 0 "[ . 1 . 2]" 2
214 1 25 VAL MG2 1 59 TRP HH2 . . 5.250 3.137 2.295 4.064 . 0 0 "[ . 1 . 2]" 2
215 1 25 VAL MG2 1 59 TRP HZ2 . . 5.500 3.927 3.243 4.624 . 0 0 "[ . 1 . 2]" 2
216 1 25 VAL QG 1 26 LYS H . . 3.860 3.491 3.397 3.562 . 0 0 "[ . 1 . 2]" 2
217 1 25 VAL QG 1 27 HIS H . . 4.170 3.761 3.415 4.152 . 0 0 "[ . 1 . 2]" 2
218 1 25 VAL QG 1 28 LEU HG . . 4.190 3.208 2.668 3.432 . 0 0 "[ . 1 . 2]" 2
219 1 25 VAL QG 1 28 LEU MD1 . . 4.070 2.036 1.849 2.377 . 0 0 "[ . 1 . 2]" 2
220 1 25 VAL QG 1 42 ALA HA . . 4.590 3.914 3.794 4.061 . 0 0 "[ . 1 . 2]" 2
221 1 25 VAL QG 1 43 ARG H . . 4.020 3.583 3.314 3.858 . 0 0 "[ . 1 . 2]" 2
222 1 25 VAL QG 1 44 LEU HA . . 4.310 2.594 2.226 2.992 . 0 0 "[ . 1 . 2]" 2
223 1 25 VAL QG 1 53 ILE HG12 . . 3.710 3.706 3.323 3.878 0.168 10 0 "[ . 1 . 2]" 2
224 1 25 VAL QG 1 59 TRP HH2 . . 4.330 3.005 2.272 3.801 . 0 0 "[ . 1 . 2]" 2
225 1 25 VAL QG 1 59 TRP HZ2 . . 4.500 3.533 3.117 4.068 . 0 0 "[ . 1 . 2]" 2
226 1 25 VAL QG 1 59 TRP HZ3 . . 5.390 4.089 3.579 4.663 . 0 0 "[ . 1 . 2]" 2
227 1 26 LYS H 1 26 LYS QD . . 5.500 2.130 1.781 2.475 . 0 0 "[ . 1 . 2]" 2
228 1 26 LYS H 1 26 LYS QE . . 5.500 3.837 3.620 4.324 . 0 0 "[ . 1 . 2]" 2
229 1 26 LYS H 1 26 LYS QG . . 4.360 2.893 2.225 3.475 . 0 0 "[ . 1 . 2]" 2
230 1 26 LYS H 1 42 ALA MB . . 4.860 4.771 4.416 4.890 0.030 13 0 "[ . 1 . 2]" 2
231 1 26 LYS HA 1 26 LYS QD . . 3.830 3.688 3.643 3.761 . 0 0 "[ . 1 . 2]" 2
232 1 26 LYS QB 1 26 LYS QD . . 2.940 2.378 2.302 2.468 . 0 0 "[ . 1 . 2]" 2
233 1 26 LYS QB 1 26 LYS QE . . 4.070 3.851 3.647 3.914 . 0 0 "[ . 1 . 2]" 2
234 1 26 LYS QB 1 27 HIS H . . 4.260 3.694 3.466 3.872 . 0 0 "[ . 1 . 2]" 2
235 1 26 LYS QB 1 45 LYS HA . . 5.000 3.166 2.397 3.789 . 0 0 "[ . 1 . 2]" 2
236 1 26 LYS QB 1 45 LYS QD . . 5.020 3.334 2.686 3.737 . 0 0 "[ . 1 . 2]" 2
237 1 26 LYS QB 1 45 LYS QG . . 4.530 1.948 1.788 3.911 . 0 0 "[ . 1 . 2]" 2
238 1 26 LYS QD 1 27 HIS H . . 5.500 2.267 1.896 2.680 . 0 0 "[ . 1 . 2]" 2
239 1 26 LYS QD 1 27 HIS HD2 . . 5.500 5.166 4.495 5.589 0.089 20 0 "[ . 1 . 2]" 2
240 1 26 LYS QD 1 45 LYS H . . 4.690 4.153 3.305 4.835 0.145 3 0 "[ . 1 . 2]" 2
241 1 26 LYS QD 1 45 LYS HA . . 4.290 2.731 1.786 3.893 . 0 0 "[ . 1 . 2]" 2
242 1 26 LYS QE 1 27 HIS HD2 . . 4.990 4.625 4.172 4.998 0.008 18 0 "[ . 1 . 2]" 2
243 1 26 LYS QE 1 43 ARG H . . 5.500 4.776 4.255 5.423 . 0 0 "[ . 1 . 2]" 2
244 1 26 LYS QE 1 45 LYS H . . 5.500 4.994 4.424 5.630 0.130 12 0 "[ . 1 . 2]" 2
245 1 26 LYS QE 1 45 LYS HA . . 4.630 3.495 2.870 3.945 . 0 0 "[ . 1 . 2]" 2
246 1 26 LYS QG 1 27 HIS H . . 5.330 3.311 2.589 4.054 . 0 0 "[ . 1 . 2]" 2
247 1 27 HIS HD2 1 43 ARG QD . . 5.500 4.298 2.946 5.281 . 0 0 "[ . 1 . 2]" 2
248 1 27 HIS HE1 1 29 LYS QB . . 5.340 5.431 5.387 5.475 0.135 14 0 "[ . 1 . 2]" 2
249 1 27 HIS HE1 1 29 LYS QD . . 4.450 3.789 3.183 4.404 . 0 0 "[ . 1 . 2]" 2
250 1 28 LEU H 1 28 LEU MD1 . . 5.290 3.708 2.752 4.527 . 0 0 "[ . 1 . 2]" 2
251 1 28 LEU H 1 28 LEU MD2 . . 5.200 4.411 4.173 4.607 . 0 0 "[ . 1 . 2]" 2
252 1 28 LEU HA 1 28 LEU MD1 . . 4.590 3.581 3.079 3.870 . 0 0 "[ . 1 . 2]" 2
253 1 28 LEU HA 1 42 ALA MB . . 4.510 3.201 2.722 3.732 . 0 0 "[ . 1 . 2]" 2
254 1 28 LEU HG 1 42 ALA MB . . 2.980 2.016 1.894 2.338 . 0 0 "[ . 1 . 2]" 2
255 1 28 LEU HG 1 63 TYR QD . . 5.500 5.461 4.918 5.607 0.107 20 0 "[ . 1 . 2]" 2
256 1 28 LEU QB 2 8 ILE MD . . 4.580 2.216 1.852 2.977 . 0 0 "[ . 1 . 2]" 2
257 1 28 LEU QB 1 29 LYS H . . 5.300 2.848 2.005 3.656 . 0 0 "[ . 1 . 2]" 2
258 1 28 LEU QB 1 63 TYR QD . . 5.040 3.934 2.992 4.542 . 0 0 "[ . 1 . 2]" 2
259 1 28 LEU QB 1 63 TYR QE . . 4.590 3.015 1.793 4.310 . 0 0 "[ . 1 . 2]" 2
260 1 28 LEU MD1 2 8 ILE MD . . 3.360 3.234 2.821 3.434 0.074 1 0 "[ . 1 . 2]" 2
261 1 28 LEU MD1 2 8 ILE MG . . 3.410 3.251 2.946 3.475 0.065 11 0 "[ . 1 . 2]" 2
262 1 28 LEU MD1 1 29 LYS H . . 4.670 4.522 4.329 4.645 . 0 0 "[ . 1 . 2]" 2
263 1 28 LEU MD1 1 42 ALA HA . . 5.060 4.115 3.311 4.821 . 0 0 "[ . 1 . 2]" 2
264 1 28 LEU MD1 1 42 ALA MB . . 3.940 2.930 2.563 3.230 . 0 0 "[ . 1 . 2]" 2
265 1 28 LEU MD1 1 43 ARG H . . 5.500 4.630 3.477 5.512 0.012 20 0 "[ . 1 . 2]" 2
266 1 28 LEU MD1 1 53 ILE HG12 . . 5.500 5.447 5.036 5.588 0.088 8 0 "[ . 1 . 2]" 2
267 1 28 LEU MD1 1 53 ILE MD . . 3.610 2.919 2.476 3.156 . 0 0 "[ . 1 . 2]" 2
268 1 28 LEU MD1 1 59 TRP HE3 . . 5.470 4.491 3.973 5.275 . 0 0 "[ . 1 . 2]" 2
269 1 28 LEU MD1 1 59 TRP HH2 . . 4.530 2.273 1.879 2.873 . 0 0 "[ . 1 . 2]" 2
270 1 28 LEU MD1 1 59 TRP HZ2 . . 5.140 4.316 3.931 4.807 . 0 0 "[ . 1 . 2]" 2
271 1 28 LEU MD1 1 59 TRP HZ3 . . 4.910 2.555 2.044 3.246 . 0 0 "[ . 1 . 2]" 2
272 1 28 LEU MD1 1 60 CYS HA . . 5.500 5.246 4.711 5.702 0.202 4 0 "[ . 1 . 2]" 2
273 1 28 LEU MD1 1 63 TYR QD . . 4.790 3.078 2.449 3.620 . 0 0 "[ . 1 . 2]" 2
274 1 28 LEU MD1 1 63 TYR QE . . 4.910 3.108 1.967 3.914 . 0 0 "[ . 1 . 2]" 2
275 1 28 LEU MD2 2 6 ILE MG . . 4.070 3.913 3.311 4.200 0.130 2 0 "[ . 1 . 2]" 2
276 1 28 LEU MD2 2 8 ILE MD . . 3.540 2.616 1.832 3.380 . 0 0 "[ . 1 . 2]" 2
277 1 28 LEU MD2 1 29 LYS H . . 4.970 2.733 1.767 3.682 . 0 0 "[ . 1 . 2]" 2
278 1 28 LEU MD2 1 40 ILE MG . . 3.830 2.022 1.863 2.316 . 0 0 "[ . 1 . 2]" 2
279 1 28 LEU MD2 1 42 ALA H . . 5.500 4.478 3.764 5.233 . 0 0 "[ . 1 . 2]" 2
280 1 28 LEU MD2 1 42 ALA HA . . 5.500 3.494 2.868 4.050 . 0 0 "[ . 1 . 2]" 2
281 1 28 LEU MD2 1 43 ARG H . . 5.500 4.981 4.397 5.475 . 0 0 "[ . 1 . 2]" 2
282 1 28 LEU MD2 1 53 ILE MD . . 4.210 2.470 1.745 3.601 . 0 0 "[ . 1 . 2]" 2
283 1 28 LEU MD2 1 59 TRP HE3 . . 5.380 5.264 4.576 5.530 0.150 17 0 "[ . 1 . 2]" 2
284 1 28 LEU MD2 1 59 TRP HH2 . . 4.670 2.724 1.842 3.473 . 0 0 "[ . 1 . 2]" 2
285 1 28 LEU MD2 1 59 TRP HZ2 . . 5.500 4.716 3.752 5.536 0.036 11 0 "[ . 1 . 2]" 2
286 1 28 LEU MD2 1 59 TRP HZ3 . . 4.850 3.292 2.669 3.626 . 0 0 "[ . 1 . 2]" 2
287 1 28 LEU MD2 1 60 CYS HA . . 5.500 5.132 4.428 5.582 0.082 12 0 "[ . 1 . 2]" 2
288 1 28 LEU MD2 1 60 CYS QB . . 5.500 4.491 3.930 4.835 . 0 0 "[ . 1 . 2]" 2
289 1 28 LEU MD2 1 63 TYR HB3 . . 5.500 4.956 4.165 5.538 0.038 2 0 "[ . 1 . 2]" 2
290 1 28 LEU MD2 1 63 TYR QD . . 4.690 3.132 2.316 3.655 . 0 0 "[ . 1 . 2]" 2
291 1 28 LEU MD2 1 63 TYR QE . . 4.740 2.126 1.753 2.624 . 0 0 "[ . 1 . 2]" 2
292 1 29 LYS H 1 29 LYS QD . . 5.500 2.708 2.503 2.982 . 0 0 "[ . 1 . 2]" 2
293 1 29 LYS H 1 40 ILE MG . . 4.460 4.296 3.909 4.502 0.042 12 0 "[ . 1 . 2]" 2
294 1 29 LYS H 1 41 VAL QG . . 4.670 3.709 3.189 4.067 . 0 0 "[ . 1 . 2]" 2
295 1 29 LYS H 1 42 ALA MB . . 4.680 4.164 3.588 4.688 0.008 5 0 "[ . 1 . 2]" 2
296 1 29 LYS HA 2 9 TYR QE . . 4.150 4.129 3.902 4.223 0.073 18 0 "[ . 1 . 2]" 2
297 1 29 LYS HA 1 29 LYS QD . . 5.090 3.232 3.021 3.529 . 0 0 "[ . 1 . 2]" 2
298 1 29 LYS HA 1 29 LYS QE . . 4.870 4.513 4.138 4.986 0.116 4 0 "[ . 1 . 2]" 2
299 1 29 LYS HB3 1 29 LYS QD . . 3.470 3.388 3.265 3.495 0.025 12 0 "[ . 1 . 2]" 2
300 1 29 LYS HB3 1 29 LYS QE . . 4.550 4.011 3.393 4.532 . 0 0 "[ . 1 . 2]" 2
301 1 29 LYS HB3 1 41 VAL QG . . 4.870 4.173 3.534 4.508 . 0 0 "[ . 1 . 2]" 2
302 1 29 LYS HG2 2 9 TYR QD . . 4.830 4.612 4.099 4.860 0.030 4 0 "[ . 1 . 2]" 2
303 1 29 LYS HG2 2 9 TYR QE . . 4.710 3.013 2.265 3.397 . 0 0 "[ . 1 . 2]" 2
304 1 29 LYS HG2 2 14 TYR QD . . 4.830 4.472 3.083 4.899 0.069 15 0 "[ . 1 . 2]" 2
305 1 29 LYS HG2 1 41 VAL QG . . 4.130 4.046 3.621 4.302 0.172 18 0 "[ . 1 . 2]" 2
306 1 29 LYS QB 2 9 TYR QD . . 4.490 4.411 4.191 4.611 0.121 11 0 "[ . 1 . 2]" 2
307 1 29 LYS QB 2 9 TYR QE . . 4.490 3.783 3.424 3.977 . 0 0 "[ . 1 . 2]" 2
308 1 29 LYS QB 1 29 LYS QD . . 2.820 2.474 2.202 2.761 . 0 0 "[ . 1 . 2]" 2
309 1 29 LYS QB 1 29 LYS QE . . 3.940 2.895 2.031 3.835 . 0 0 "[ . 1 . 2]" 2
310 1 29 LYS QB 1 41 VAL H . . 4.550 3.764 3.442 4.288 . 0 0 "[ . 1 . 2]" 2
311 1 29 LYS QD 2 9 TYR QD . . 4.740 4.551 4.049 4.871 0.131 19 0 "[ . 1 . 2]" 2
312 1 29 LYS QD 2 9 TYR QE . . 4.370 3.102 2.397 3.851 . 0 0 "[ . 1 . 2]" 2
313 1 29 LYS QD 1 30 ILE H . . 5.500 4.997 4.872 5.224 . 0 0 "[ . 1 . 2]" 2
314 1 29 LYS QD 1 41 VAL QG . . 4.360 3.086 1.979 4.062 . 0 0 "[ . 1 . 2]" 2
315 1 29 LYS QE 2 9 TYR QE . . 4.210 3.714 2.482 4.453 0.243 13 0 "[ . 1 . 2]" 2
316 1 29 LYS QE 1 41 VAL HB . . 4.970 3.731 2.385 4.998 0.028 20 0 "[ . 1 . 2]" 2
317 1 29 LYS QE 1 41 VAL QG . . 4.240 2.736 1.846 3.734 . 0 0 "[ . 1 . 2]" 2
318 1 29 LYS QE 1 43 ARG HB3 . . 5.500 5.308 4.783 5.573 0.073 3 0 "[ . 1 . 2]" 2
319 1 29 LYS QE 1 43 ARG HG2 . . 5.500 2.759 2.163 3.664 . 0 0 "[ . 1 . 2]" 2
320 1 29 LYS QE 1 43 ARG QD . . 4.790 3.450 2.926 4.839 0.049 17 0 "[ . 1 . 2]" 2
321 1 30 ILE H 1 30 ILE QG . . 3.850 3.098 2.127 3.984 0.134 1 0 "[ . 1 . 2]" 2
322 1 30 ILE H 1 30 ILE MG . . 4.170 3.105 1.982 3.851 . 0 0 "[ . 1 . 2]" 2
323 1 30 ILE MD 1 63 TYR QD . . 5.370 3.928 3.137 5.208 . 0 0 "[ . 1 . 2]" 2
324 1 30 ILE MD 1 63 TYR QE . . 3.920 3.002 2.085 3.945 0.025 20 0 "[ . 1 . 2]" 2
325 1 30 ILE MD 1 67 ALA MB . . 4.000 2.043 1.732 2.361 . 0 0 "[ . 1 . 2]" 2
326 1 30 ILE QG 1 63 TYR QD . . 4.800 4.656 3.690 4.975 0.175 9 0 "[ . 1 . 2]" 2
327 1 30 ILE QG 1 63 TYR QE . . 4.170 3.233 1.992 3.952 . 0 0 "[ . 1 . 2]" 2
328 1 30 ILE MG 2 10 THR H . . 5.500 4.853 3.695 5.580 0.080 19 0 "[ . 1 . 2]" 2
329 1 30 ILE MG 2 10 THR MG . . 5.010 3.450 1.869 4.583 . 0 0 "[ . 1 . 2]" 2
330 1 30 ILE MD 1 30 ILE MG . . 2.400 1.831 1.713 1.915 . 0 0 "[ . 1 . 2]" 2
331 1 30 ILE QG 1 30 ILE MG . . 3.280 2.309 2.233 2.453 . 0 0 "[ . 1 . 2]" 2
332 1 30 ILE MG 1 31 LEU H . . 4.190 3.387 2.634 4.187 . 0 0 "[ . 1 . 2]" 2
333 1 30 ILE MG 1 32 ASN HA . . 5.500 4.260 3.130 5.471 . 0 0 "[ . 1 . 2]" 2
334 1 30 ILE MG 1 32 ASN QB . . 5.000 2.847 1.712 4.596 . 0 0 "[ . 1 . 2]" 2
335 1 30 ILE MG 1 32 ASN HD21 . . 5.500 2.819 1.598 4.641 . 0 0 "[ . 1 . 2]" 2
336 1 30 ILE MG 1 63 TYR QD . . 5.500 5.314 4.587 5.675 0.175 8 0 "[ . 1 . 2]" 2
337 1 30 ILE MG 1 63 TYR QE . . 5.500 4.064 3.441 4.544 . 0 0 "[ . 1 . 2]" 2
338 1 30 ILE MG 1 67 ALA MB . . 3.680 2.966 1.947 3.739 0.059 6 0 "[ . 1 . 2]" 2
339 1 31 LEU H 1 31 LEU QD . . 3.790 3.127 2.430 3.813 0.023 9 0 "[ . 1 . 2]" 2
340 1 31 LEU H 1 38 LEU MD1 . . 5.500 4.724 3.556 5.533 0.033 15 0 "[ . 1 . 2]" 2
341 1 31 LEU H 1 38 LEU MD2 . . 5.500 3.874 2.941 5.209 . 0 0 "[ . 1 . 2]" 2
342 1 31 LEU H 1 38 LEU QD . . 4.660 3.461 2.917 3.944 . 0 0 "[ . 1 . 2]" 2
343 1 31 LEU H 1 64 LEU MD2 . . 5.500 5.244 4.363 5.552 0.052 11 0 "[ . 1 . 2]" 2
344 1 31 LEU HA 1 31 LEU QD . . 4.150 1.989 1.862 2.085 . 0 0 "[ . 1 . 2]" 2
345 1 31 LEU HB2 1 33 THR MG . . 4.810 4.270 3.597 4.972 0.162 15 0 "[ . 1 . 2]" 2
346 1 31 LEU HB2 1 41 VAL QG . . 4.090 2.592 1.924 3.279 . 0 0 "[ . 1 . 2]" 2
347 1 31 LEU QD 2 14 TYR QD . . 4.200 2.844 2.154 3.473 . 0 0 "[ . 1 . 2]" 2
348 1 31 LEU QD 2 14 TYR QE . . 4.270 2.131 1.651 2.979 . 0 0 "[ . 1 . 2]" 2
349 1 31 LEU QD 2 17 GLU QB . . 4.990 4.810 3.814 5.121 0.131 11 0 "[ . 1 . 2]" 2
350 1 31 LEU QD 1 33 THR HB . . 5.500 4.466 3.566 5.234 . 0 0 "[ . 1 . 2]" 2
351 1 31 LEU QD 1 33 THR MG . . 5.100 2.168 1.770 2.812 . 0 0 "[ . 1 . 2]" 2
352 1 31 LEU QD 1 39 GLN H . . 5.500 4.013 2.652 4.632 . 0 0 "[ . 1 . 2]" 2
353 1 31 LEU QD 1 39 GLN HE21 . . 5.500 4.248 1.847 5.677 0.177 11 0 "[ . 1 . 2]" 2
354 1 31 LEU QD 1 39 GLN HE22 . . 5.500 4.314 2.637 5.433 . 0 0 "[ . 1 . 2]" 2
355 1 31 LEU QD 1 39 GLN QG . . 5.340 3.725 2.039 4.967 . 0 0 "[ . 1 . 2]" 2
356 1 31 LEU QD 1 41 VAL HB . . 4.840 3.194 1.989 4.907 0.067 8 0 "[ . 1 . 2]" 2
357 1 32 ASN H 1 38 LEU QD . . 4.870 4.147 3.638 4.649 . 0 0 "[ . 1 . 2]" 2
358 1 32 ASN HA 1 33 THR MG . . 5.500 4.017 3.610 4.334 . 0 0 "[ . 1 . 2]" 2
359 1 32 ASN HA 1 38 LEU MD1 . . 5.160 3.779 3.111 4.485 . 0 0 "[ . 1 . 2]" 2
360 1 32 ASN HA 1 38 LEU MD2 . . 5.160 3.066 2.044 4.005 . 0 0 "[ . 1 . 2]" 2
361 1 32 ASN HA 1 38 LEU QD . . 4.380 2.818 2.017 3.559 . 0 0 "[ . 1 . 2]" 2
362 1 32 ASN QB 1 38 LEU MD1 . . 4.990 3.303 2.468 4.172 . 0 0 "[ . 1 . 2]" 2
363 1 32 ASN QB 1 38 LEU MD2 . . 4.990 2.889 1.780 3.809 . 0 0 "[ . 1 . 2]" 2
364 1 32 ASN QB 1 38 LEU QD . . 4.180 2.446 1.777 3.227 . 0 0 "[ . 1 . 2]" 2
365 1 32 ASN HD21 1 38 LEU MD1 . . 5.500 3.989 2.025 5.615 0.115 9 0 "[ . 1 . 2]" 2
366 1 32 ASN HD21 1 38 LEU MD2 . . 5.500 3.984 3.179 5.275 . 0 0 "[ . 1 . 2]" 2
367 1 32 ASN HD21 1 38 LEU QD . . 4.300 3.227 2.014 4.058 . 0 0 "[ . 1 . 2]" 2
368 1 32 ASN HD21 1 67 ALA MB . . 5.500 5.570 5.078 5.712 0.212 15 0 "[ . 1 . 2]" 2
369 1 32 ASN HD22 1 38 LEU QD . . 4.640 4.114 2.514 4.733 0.093 10 0 "[ . 1 . 2]" 2
370 1 33 THR H 1 33 THR MG . . 4.440 2.515 2.160 2.807 . 0 0 "[ . 1 . 2]" 2
371 1 33 THR H 1 34 PRO QD . . 5.350 4.191 3.997 4.374 . 0 0 "[ . 1 . 2]" 2
372 1 33 THR H 1 38 LEU QD . . 4.890 4.267 3.495 4.862 . 0 0 "[ . 1 . 2]" 2
373 1 33 THR HA 1 34 PRO QD . . 3.510 1.936 1.884 2.033 . 0 0 "[ . 1 . 2]" 2
374 1 33 THR HB 1 34 PRO QD . . 4.000 3.158 2.641 3.511 . 0 0 "[ . 1 . 2]" 2
375 1 33 THR HB 1 36 CYS QB . . 4.690 3.079 2.370 3.941 . 0 0 "[ . 1 . 2]" 2
376 1 33 THR MG 1 34 PRO HD3 . . 4.380 3.923 3.503 4.290 . 0 0 "[ . 1 . 2]" 2
377 1 33 THR MG 1 36 CYS H . . 5.210 4.244 3.438 4.770 . 0 0 "[ . 1 . 2]" 2
378 1 33 THR MG 1 36 CYS HB3 . . 5.500 3.840 2.782 5.468 . 0 0 "[ . 1 . 2]" 2
379 1 33 THR MG 1 36 CYS QB . . 4.660 3.319 2.681 3.937 . 0 0 "[ . 1 . 2]" 2
380 1 33 THR MG 1 39 GLN H . . 5.500 4.600 3.855 5.499 . 0 0 "[ . 1 . 2]" 2
381 1 33 THR MG 1 39 GLN QE . . 5.340 3.876 2.273 5.401 0.061 20 0 "[ . 1 . 2]" 2
382 1 35 ASN H 1 36 CYS QB . . 5.210 4.353 3.984 4.823 . 0 0 "[ . 1 . 2]" 2
383 1 35 ASN QB 1 36 CYS H . . 4.560 3.214 2.721 3.481 . 0 0 "[ . 1 . 2]" 2
384 1 35 ASN QD 1 36 CYS H . . 5.340 4.629 3.982 5.292 . 0 0 "[ . 1 . 2]" 2
385 1 36 CYS H 1 36 CYS QB . . 3.650 2.646 2.341 2.795 . 0 0 "[ . 1 . 2]" 2
386 1 37 ALA H 1 37 ALA MB . . 3.620 2.496 2.219 2.742 . 0 0 "[ . 1 . 2]" 2
387 1 37 ALA MB 1 38 LEU H . . 3.360 2.098 1.837 2.535 . 0 0 "[ . 1 . 2]" 2
388 1 37 ALA MB 1 39 GLN HE21 . . 5.500 3.656 2.257 5.304 . 0 0 "[ . 1 . 2]" 2
389 1 37 ALA MB 1 39 GLN HE22 . . 5.500 4.200 2.935 5.316 . 0 0 "[ . 1 . 2]" 2
390 1 37 ALA MB 1 39 GLN QE . . 4.680 3.287 2.240 4.352 . 0 0 "[ . 1 . 2]" 2
391 1 38 LEU H 1 38 LEU MD1 . . 4.540 4.286 4.177 4.434 . 0 0 "[ . 1 . 2]" 2
392 1 38 LEU H 1 38 LEU MD2 . . 4.540 4.157 4.027 4.228 . 0 0 "[ . 1 . 2]" 2
393 1 38 LEU H 1 38 LEU QD . . 3.820 3.757 3.657 3.822 0.002 15 0 "[ . 1 . 2]" 2
394 1 38 LEU HA 1 38 LEU MD1 . . 4.150 3.373 2.462 3.885 . 0 0 "[ . 1 . 2]" 2
395 1 38 LEU HA 1 38 LEU MD2 . . 4.150 2.606 2.031 3.085 . 0 0 "[ . 1 . 2]" 2
396 1 38 LEU HA 1 38 LEU QD . . 3.580 2.517 2.005 2.965 . 0 0 "[ . 1 . 2]" 2
397 1 38 LEU HB2 1 38 LEU MD1 . . 3.560 2.713 2.224 3.240 . 0 0 "[ . 1 . 2]" 2
398 1 38 LEU HB2 1 38 LEU MD2 . . 3.560 2.836 2.300 3.242 . 0 0 "[ . 1 . 2]" 2
399 1 38 LEU HB2 1 38 LEU QD . . 3.110 2.273 2.186 2.359 . 0 0 "[ . 1 . 2]" 2
400 1 38 LEU MD1 1 39 GLN H . . 4.770 3.798 2.374 4.827 0.057 20 0 "[ . 1 . 2]" 2
401 1 38 LEU MD1 1 63 TYR QE . . 5.500 4.583 3.503 5.568 0.068 15 0 "[ . 1 . 2]" 2
402 1 38 LEU MD1 1 64 LEU HA . . 5.200 4.610 3.949 5.007 . 0 0 "[ . 1 . 2]" 2
403 1 38 LEU MD2 1 39 GLN H . . 4.770 2.845 2.450 3.685 . 0 0 "[ . 1 . 2]" 2
404 1 38 LEU MD2 1 63 TYR QE . . 5.500 4.544 3.477 5.505 0.005 17 0 "[ . 1 . 2]" 2
405 1 38 LEU MD2 1 64 LEU HA . . 5.200 4.860 4.107 5.272 0.072 17 0 "[ . 1 . 2]" 2
406 1 38 LEU QD 1 39 GLN H . . 3.880 2.498 2.337 2.635 . 0 0 "[ . 1 . 2]" 2
407 1 38 LEU QD 1 64 LEU HA . . 4.370 4.196 3.584 4.481 0.111 19 0 "[ . 1 . 2]" 2
408 1 39 GLN QG 1 40 ILE H . . 5.340 4.060 3.664 4.654 . 0 0 "[ . 1 . 2]" 2
409 1 40 ILE H 1 40 ILE MG . . 4.500 3.828 3.755 3.892 . 0 0 "[ . 1 . 2]" 2
410 1 40 ILE HA 1 63 TYR QE . . 4.880 4.086 3.522 4.465 . 0 0 "[ . 1 . 2]" 2
411 1 40 ILE HB 1 53 ILE MG . . 5.010 3.679 3.254 3.996 . 0 0 "[ . 1 . 2]" 2
412 1 40 ILE HG13 1 63 TYR QE . . 5.500 3.697 3.018 4.276 . 0 0 "[ . 1 . 2]" 2
413 1 40 ILE MD 1 63 TYR QD . . 5.090 3.528 2.997 4.007 . 0 0 "[ . 1 . 2]" 2
414 1 40 ILE MD 1 63 TYR QE . . 5.500 1.860 1.727 2.130 . 0 0 "[ . 1 . 2]" 2
415 1 40 ILE HG13 1 40 ILE MG . . 3.320 2.404 2.279 3.169 . 0 0 "[ . 1 . 2]" 2
416 1 40 ILE MD 1 40 ILE MG . . 2.400 1.976 1.807 2.083 . 0 0 "[ . 1 . 2]" 2
417 1 40 ILE MG 1 41 VAL H . . 3.890 2.965 2.684 3.120 . 0 0 "[ . 1 . 2]" 2
418 1 40 ILE MG 1 41 VAL HA . . 5.240 3.936 3.793 4.134 . 0 0 "[ . 1 . 2]" 2
419 1 40 ILE MG 1 53 ILE H . . 5.170 3.060 2.734 3.271 . 0 0 "[ . 1 . 2]" 2
420 1 40 ILE MG 1 53 ILE HG12 . . 4.810 3.894 3.760 4.011 . 0 0 "[ . 1 . 2]" 2
421 1 40 ILE MG 1 59 TRP HH2 . . 5.500 3.294 2.305 4.127 . 0 0 "[ . 1 . 2]" 2
422 1 40 ILE MG 1 60 CYS HA . . 5.420 4.647 4.006 5.110 . 0 0 "[ . 1 . 2]" 2
423 1 40 ILE MG 1 60 CYS QB . . 5.140 3.156 2.654 3.672 . 0 0 "[ . 1 . 2]" 2
424 1 40 ILE MG 1 63 TYR QD . . 4.150 3.935 3.604 4.168 0.018 6 0 "[ . 1 . 2]" 2
425 1 40 ILE MG 1 63 TYR QE . . 5.490 2.692 2.251 3.008 . 0 0 "[ . 1 . 2]" 2
426 1 41 VAL H 1 41 VAL QG . . 3.850 2.652 2.456 2.796 . 0 0 "[ . 1 . 2]" 2
427 1 41 VAL QG 2 17 GLU QB . . 4.420 3.676 2.805 4.498 0.078 10 0 "[ . 1 . 2]" 2
428 1 41 VAL QG 1 42 ALA H . . 3.740 2.806 2.527 2.929 . 0 0 "[ . 1 . 2]" 2
429 1 41 VAL QG 1 50 GLN HE21 . . 5.010 3.301 2.484 4.378 . 0 0 "[ . 1 . 2]" 2
430 1 41 VAL QG 1 50 GLN HE22 . . 4.600 3.214 1.640 4.321 . 0 0 "[ . 1 . 2]" 2
431 1 41 VAL QG 1 50 GLN HG3 . . 4.130 3.001 2.310 4.164 0.034 8 0 "[ . 1 . 2]" 2
432 1 41 VAL QG 1 52 CYS HA . . 4.570 3.345 2.910 3.840 . 0 0 "[ . 1 . 2]" 2
433 1 41 VAL QG 1 52 CYS HB3 . . 5.500 3.878 3.262 4.630 . 0 0 "[ . 1 . 2]" 2
434 1 42 ALA H 1 50 GLN QG . . 5.250 3.888 3.324 5.283 0.033 12 0 "[ . 1 . 2]" 2
435 1 42 ALA H 1 51 VAL MG1 . . 5.500 3.514 3.193 3.780 . 0 0 "[ . 1 . 2]" 2
436 1 42 ALA H 1 51 VAL MG2 . . 4.990 4.932 4.730 5.027 0.037 8 0 "[ . 1 . 2]" 2
437 1 42 ALA MB 1 43 ARG H . . 3.720 2.542 2.432 2.694 . 0 0 "[ . 1 . 2]" 2
438 1 42 ALA MB 1 51 VAL H . . 4.680 3.649 3.263 4.001 . 0 0 "[ . 1 . 2]" 2
439 1 42 ALA MB 1 51 VAL HB . . 5.500 5.215 4.605 5.521 0.021 12 0 "[ . 1 . 2]" 2
440 1 42 ALA MB 1 51 VAL MG1 . . 3.840 2.755 2.223 3.068 . 0 0 "[ . 1 . 2]" 2
441 1 42 ALA MB 1 52 CYS HA . . 5.500 4.260 3.826 4.700 . 0 0 "[ . 1 . 2]" 2
442 1 42 ALA MB 1 53 ILE HB . . 4.900 4.268 4.070 4.458 . 0 0 "[ . 1 . 2]" 2
443 1 42 ALA MB 1 59 TRP HH2 . . 5.500 3.723 3.414 4.014 . 0 0 "[ . 1 . 2]" 2
444 1 43 ARG H 1 43 ARG QD . . 5.500 4.009 3.710 4.486 . 0 0 "[ . 1 . 2]" 2
445 1 43 ARG H 1 51 VAL MG1 . . 5.070 4.951 4.480 5.152 0.082 8 0 "[ . 1 . 2]" 2
446 1 43 ARG HA 1 43 ARG QD . . 4.470 2.241 1.910 4.082 . 0 0 "[ . 1 . 2]" 2
447 1 43 ARG HA 1 50 GLN QG . . 5.340 3.544 2.801 4.086 . 0 0 "[ . 1 . 2]" 2
448 1 43 ARG HB3 1 43 ARG QD . . 3.800 2.732 2.257 3.029 . 0 0 "[ . 1 . 2]" 2
449 1 43 ARG HB3 1 50 GLN QG . . 5.320 4.918 4.082 5.350 0.030 11 0 "[ . 1 . 2]" 2
450 1 43 ARG HG2 1 50 GLN QG . . 5.260 3.240 2.261 3.876 . 0 0 "[ . 1 . 2]" 2
451 1 43 ARG QD 1 44 LEU H . . 4.850 3.897 3.279 5.021 0.171 2 0 "[ . 1 . 2]" 2
452 1 43 ARG QD 1 50 GLN H . . 5.300 3.965 3.555 5.309 0.009 2 0 "[ . 1 . 2]" 2
453 1 43 ARG QD 1 50 GLN HA . . 5.500 2.474 1.970 4.577 . 0 0 "[ . 1 . 2]" 2
454 1 43 ARG QD 1 50 GLN HG3 . . 5.500 2.590 1.873 3.950 . 0 0 "[ . 1 . 2]" 2
455 1 44 LEU H 1 44 LEU MD1 . . 4.460 3.645 2.301 4.181 . 0 0 "[ . 1 . 2]" 2
456 1 44 LEU H 1 44 LEU MD2 . . 4.460 3.344 2.630 4.231 . 0 0 "[ . 1 . 2]" 2
457 1 44 LEU H 1 44 LEU QD . . 3.790 2.883 2.286 3.672 . 0 0 "[ . 1 . 2]" 2
458 1 44 LEU H 1 51 VAL MG1 . . 4.660 3.850 3.129 4.181 . 0 0 "[ . 1 . 2]" 2
459 1 44 LEU HA 1 44 LEU QD . . 3.800 2.265 2.015 2.727 . 0 0 "[ . 1 . 2]" 2
460 1 44 LEU MD1 1 45 LYS H . . 4.800 4.206 1.952 4.548 . 0 0 "[ . 1 . 2]" 2
461 1 44 LEU MD1 1 47 ASN HD22 . . 5.500 3.705 2.862 5.551 0.051 15 0 "[ . 1 . 2]" 2
462 1 44 LEU MD1 1 49 ARG H . . 4.470 3.405 2.692 4.325 . 0 0 "[ . 1 . 2]" 2
463 1 44 LEU MD1 1 49 ARG HB3 . . 5.500 4.053 3.300 4.814 . 0 0 "[ . 1 . 2]" 2
464 1 44 LEU MD2 1 45 LYS H . . 4.800 3.462 1.898 4.469 . 0 0 "[ . 1 . 2]" 2
465 1 44 LEU MD2 1 47 ASN HD22 . . 5.500 5.080 3.138 5.595 0.095 11 0 "[ . 1 . 2]" 2
466 1 44 LEU MD2 1 49 ARG H . . 4.470 4.212 3.373 4.575 0.105 2 0 "[ . 1 . 2]" 2
467 1 44 LEU MD2 1 49 ARG HB3 . . 5.500 5.202 3.433 5.661 0.161 6 0 "[ . 1 . 2]" 2
468 1 44 LEU QD 1 45 LYS H . . 3.760 3.181 1.896 3.795 0.035 13 0 "[ . 1 . 2]" 2
469 1 44 LEU QD 1 47 ASN H . . 5.330 3.294 1.733 4.043 . 0 0 "[ . 1 . 2]" 2
470 1 44 LEU QD 1 47 ASN HD21 . . 4.630 2.222 1.585 4.006 . 0 0 "[ . 1 . 2]" 2
471 1 44 LEU QD 1 47 ASN HD22 . . 4.610 3.308 2.853 4.650 0.040 17 0 "[ . 1 . 2]" 2
472 1 44 LEU QD 1 49 ARG H . . 3.890 3.181 2.673 3.605 . 0 0 "[ . 1 . 2]" 2
473 1 44 LEU QD 1 49 ARG HB3 . . 4.480 3.838 3.231 4.381 . 0 0 "[ . 1 . 2]" 2
474 1 44 LEU QD 1 49 ARG QD . . 4.710 3.365 2.290 4.713 0.003 14 0 "[ . 1 . 2]" 2
475 1 44 LEU QD 1 49 ARG QG . . 4.780 3.138 1.883 4.536 . 0 0 "[ . 1 . 2]" 2
476 1 45 LYS H 1 45 LYS QD . . 5.500 3.920 3.119 4.328 . 0 0 "[ . 1 . 2]" 2
477 1 45 LYS H 1 45 LYS QG . . 3.740 2.239 1.855 2.401 . 0 0 "[ . 1 . 2]" 2
478 1 45 LYS HA 1 45 LYS QD . . 4.530 3.987 3.887 4.282 . 0 0 "[ . 1 . 2]" 2
479 1 45 LYS HB2 1 45 LYS QD . . 3.150 2.448 2.297 3.148 . 0 0 "[ . 1 . 2]" 2
480 1 48 ASN QB 1 49 ARG H . . 3.530 3.592 3.492 3.756 0.226 11 0 "[ . 1 . 2]" 2
481 1 49 ARG H 1 49 ARG QG . . 3.580 2.696 2.182 3.817 0.237 16 0 "[ . 1 . 2]" 2
482 1 49 ARG QD 2 23 TYR QE . . 4.020 3.527 2.294 4.180 0.160 15 0 "[ . 1 . 2]" 2
483 1 49 ARG QD 1 50 GLN H . . 5.340 4.383 2.903 5.222 . 0 0 "[ . 1 . 2]" 2
484 1 49 ARG QG 1 50 GLN H . . 4.010 3.681 2.104 4.157 0.147 14 0 "[ . 1 . 2]" 2
485 1 50 GLN H 1 50 GLN QG . . 3.860 3.810 2.844 3.940 0.080 19 0 "[ . 1 . 2]" 2
486 1 50 GLN HA 1 51 VAL MG1 . . 4.690 3.679 3.449 3.964 . 0 0 "[ . 1 . 2]" 2
487 1 50 GLN QG 1 51 VAL H . . 4.090 2.959 2.259 4.024 . 0 0 "[ . 1 . 2]" 2
488 1 51 VAL H 1 51 VAL MG1 . . 3.870 2.381 2.216 2.548 . 0 0 "[ . 1 . 2]" 2
489 1 51 VAL H 1 51 VAL MG2 . . 4.210 3.953 3.864 4.001 . 0 0 "[ . 1 . 2]" 2
490 1 51 VAL HA 2 23 TYR QD . . 4.460 3.736 2.219 4.548 0.088 9 0 "[ . 1 . 2]" 2
491 1 51 VAL MG1 2 23 TYR QD . . 4.440 4.524 4.242 4.660 0.220 17 0 "[ . 1 . 2]" 2
492 1 51 VAL MG1 2 23 TYR QE . . 4.950 4.214 3.897 4.974 0.024 11 0 "[ . 1 . 2]" 2
493 1 51 VAL MG1 1 52 CYS H . . 4.010 3.437 3.144 3.766 . 0 0 "[ . 1 . 2]" 2
494 1 51 VAL MG2 1 52 CYS H . . 4.190 1.989 1.765 2.329 . 0 0 "[ . 1 . 2]" 2
495 1 51 VAL MG2 1 52 CYS HA . . 5.500 3.885 3.759 4.006 . 0 0 "[ . 1 . 2]" 2
496 1 51 VAL MG2 1 53 ILE HA . . 5.500 4.109 3.580 4.669 . 0 0 "[ . 1 . 2]" 2
497 1 53 ILE H 1 53 ILE MG . . 4.210 3.813 3.729 3.851 . 0 0 "[ . 1 . 2]" 2
498 1 53 ILE MD 1 53 ILE MG . . 2.560 1.912 1.794 2.019 . 0 0 "[ . 1 . 2]" 2
499 1 53 ILE MG 1 54 ASP H . . 3.930 2.354 2.217 2.521 . 0 0 "[ . 1 . 2]" 2
500 1 53 ILE MG 1 54 ASP HA . . 5.500 4.133 3.989 4.240 . 0 0 "[ . 1 . 2]" 2
501 1 53 ILE MG 1 54 ASP HB3 . . 5.500 3.887 3.537 4.459 . 0 0 "[ . 1 . 2]" 2
502 1 53 ILE MG 1 55 PRO HA . . 5.500 4.278 3.728 4.696 . 0 0 "[ . 1 . 2]" 2
503 1 53 ILE MG 1 57 CYS HB3 . . 5.080 3.625 3.121 4.112 . 0 0 "[ . 1 . 2]" 2
504 1 53 ILE MG 1 57 CYS QB . . 4.400 3.447 3.019 3.863 . 0 0 "[ . 1 . 2]" 2
505 1 53 ILE MG 1 59 TRP HE1 . . 4.510 3.567 3.342 3.865 . 0 0 "[ . 1 . 2]" 2
506 1 53 ILE MG 1 59 TRP HH2 . . 3.700 3.395 2.783 3.744 0.044 1 0 "[ . 1 . 2]" 2
507 1 53 ILE MG 1 59 TRP HZ2 . . 3.570 2.273 1.919 2.666 . 0 0 "[ . 1 . 2]" 2
508 1 54 ASP H 1 55 PRO QD . . 4.880 4.284 4.208 4.362 . 0 0 "[ . 1 . 2]" 2
509 1 54 ASP HA 1 55 PRO QG . . 4.790 3.883 3.831 3.931 . 0 0 "[ . 1 . 2]" 2
510 1 54 ASP QB 2 28 GLU H . . 4.240 3.554 2.523 4.470 0.230 13 0 "[ . 1 . 2]" 2
511 1 54 ASP QB 1 56 LYS H . . 4.660 3.368 2.443 3.742 . 0 0 "[ . 1 . 2]" 2
512 1 54 ASP QB 1 57 CYS H . . 4.740 3.949 3.251 4.321 . 0 0 "[ . 1 . 2]" 2
513 1 55 PRO HA 1 64 LEU MD1 . . 4.520 3.731 3.205 4.527 0.007 12 0 "[ . 1 . 2]" 2
514 1 55 PRO HB3 1 64 LEU MD1 . . 3.810 3.737 3.256 4.330 0.520 12 2 "[ . - 1 + . 2]" 2
515 1 55 PRO QD 1 56 LYS H . . 3.980 3.153 2.758 3.477 . 0 0 "[ . 1 . 2]" 2
516 1 55 PRO QG 1 56 LYS H . . 4.970 3.416 2.951 3.738 . 0 0 "[ . 1 . 2]" 2
517 1 56 LYS H 1 56 LYS QB . . 3.250 2.378 2.062 2.654 . 0 0 "[ . 1 . 2]" 2
518 1 56 LYS H 1 56 LYS QD . . 5.450 3.799 1.973 4.586 . 0 0 "[ . 1 . 2]" 2
519 1 56 LYS H 1 56 LYS QE . . 5.500 4.102 2.025 4.953 . 0 0 "[ . 1 . 2]" 2
520 1 56 LYS H 1 56 LYS QG . . 3.740 2.721 2.223 3.837 0.097 13 0 "[ . 1 . 2]" 2
521 1 56 LYS H 1 57 CYS QB . . 4.850 4.174 3.850 4.446 . 0 0 "[ . 1 . 2]" 2
522 1 56 LYS HA 1 56 LYS QD . . 4.730 3.868 2.621 4.092 . 0 0 "[ . 1 . 2]" 2
523 1 56 LYS HA 1 61 GLN QE . . 4.650 3.178 2.218 4.682 0.032 18 0 "[ . 1 . 2]" 2
524 1 56 LYS QB 1 56 LYS QE . . 3.340 3.016 2.004 3.541 0.201 17 0 "[ . 1 . 2]" 2
525 1 56 LYS QB 1 57 CYS H . . 3.400 3.186 2.859 3.413 0.013 4 0 "[ . 1 . 2]" 2
526 1 56 LYS QG 1 57 CYS H . . 4.610 4.239 3.919 4.733 0.123 15 0 "[ . 1 . 2]" 2
527 1 57 CYS H 1 57 CYS QB . . 3.310 2.589 2.388 2.750 . 0 0 "[ . 1 . 2]" 2
528 1 58 LYS HA 1 58 LYS QD . . 4.680 3.279 2.036 4.074 . 0 0 "[ . 1 . 2]" 2
529 1 58 LYS HA 1 58 LYS QE . . 5.500 4.514 4.028 5.114 . 0 0 "[ . 1 . 2]" 2
530 1 58 LYS HA 1 61 GLN QB . . 5.060 3.915 2.931 4.770 . 0 0 "[ . 1 . 2]" 2
531 1 58 LYS HA 1 61 GLN QG . . 4.690 3.661 2.652 4.783 0.093 3 0 "[ . 1 . 2]" 2
532 1 58 LYS QB 2 30 ALA H . . 5.220 5.013 3.642 5.366 0.146 3 0 "[ . 1 . 2]" 2
533 1 58 LYS QB 1 59 TRP H . . 4.420 2.582 2.452 2.720 . 0 0 "[ . 1 . 2]" 2
534 1 58 LYS QB 1 59 TRP HD1 . . 4.560 4.058 3.808 4.292 . 0 0 "[ . 1 . 2]" 2
535 1 58 LYS QB 1 60 CYS H . . 5.240 4.632 4.437 4.848 . 0 0 "[ . 1 . 2]" 2
536 1 58 LYS QG 1 59 TRP H . . 5.340 3.354 3.164 3.453 . 0 0 "[ . 1 . 2]" 2
537 1 58 LYS QG 1 59 TRP HD1 . . 5.130 5.119 4.737 5.270 0.140 14 0 "[ . 1 . 2]" 2
538 1 58 LYS QG 1 60 CYS H . . 5.340 5.026 4.719 5.269 . 0 0 "[ . 1 . 2]" 2
539 1 59 TRP HE3 1 63 TYR QD . . 4.550 3.972 3.553 4.575 0.025 1 0 "[ . 1 . 2]" 2
540 1 59 TRP HH2 1 63 TYR QD . . 4.610 4.662 4.521 4.729 0.119 7 0 "[ . 1 . 2]" 2
541 1 59 TRP HZ3 1 63 TYR QD . . 4.840 3.115 2.725 3.395 . 0 0 "[ . 1 . 2]" 2
542 1 59 TRP QB 1 59 TRP HE1 . . 4.640 4.431 4.400 4.449 . 0 0 "[ . 1 . 2]" 2
543 1 60 CYS HA 1 63 TYR QD . . 4.190 2.378 1.748 3.301 . 0 0 "[ . 1 . 2]" 2
544 1 60 CYS QB 1 64 LEU MD1 . . 5.500 3.379 2.950 3.614 . 0 0 "[ . 1 . 2]" 2
545 1 61 GLN H 1 61 GLN QB . . 3.480 2.433 2.118 2.602 . 0 0 "[ . 1 . 2]" 2
546 1 61 GLN H 1 61 GLN QG . . 4.000 2.602 1.888 4.002 0.002 18 0 "[ . 1 . 2]" 2
547 1 61 GLN H 1 64 LEU MD1 . . 5.240 4.091 3.859 4.224 . 0 0 "[ . 1 . 2]" 2
548 1 61 GLN HA 1 61 GLN QE . . 4.760 3.504 2.530 4.267 . 0 0 "[ . 1 . 2]" 2
549 1 61 GLN HA 1 64 LEU MD1 . . 4.220 2.068 1.926 2.235 . 0 0 "[ . 1 . 2]" 2
550 1 61 GLN HA 1 64 LEU MD2 . . 4.900 4.481 4.052 4.686 . 0 0 "[ . 1 . 2]" 2
551 1 61 GLN HE21 1 64 LEU MD1 . . 4.850 3.783 2.571 4.872 0.022 8 0 "[ . 1 . 2]" 2
552 1 61 GLN HE22 1 64 LEU MD1 . . 4.850 3.547 2.481 4.945 0.095 3 0 "[ . 1 . 2]" 2
553 1 61 GLN QB 1 62 GLU H . . 3.960 2.596 2.273 2.952 . 0 0 "[ . 1 . 2]" 2
554 1 61 GLN QB 1 64 LEU HB2 . . 4.880 4.479 4.118 4.963 0.083 18 0 "[ . 1 . 2]" 2
555 1 61 GLN QB 1 64 LEU MD1 . . 5.360 3.781 3.339 4.038 . 0 0 "[ . 1 . 2]" 2
556 1 61 GLN QG 1 62 GLU H . . 4.370 3.976 3.645 4.407 0.037 13 0 "[ . 1 . 2]" 2
557 1 61 GLN QG 1 64 LEU HB2 . . 5.230 5.019 3.645 5.389 0.159 9 0 "[ . 1 . 2]" 2
558 1 61 GLN QG 1 64 LEU MD1 . . 4.930 3.662 2.297 4.056 . 0 0 "[ . 1 . 2]" 2
559 1 62 GLU H 1 62 GLU QB . . 3.070 2.421 2.322 2.488 . 0 0 "[ . 1 . 2]" 2
560 1 62 GLU H 1 62 GLU QG . . 3.230 2.332 2.083 3.257 0.027 12 0 "[ . 1 . 2]" 2
561 1 62 GLU HA 1 62 GLU QG . . 3.720 2.678 2.324 3.023 . 0 0 "[ . 1 . 2]" 2
562 1 62 GLU HA 1 65 GLU QG . . 4.430 3.332 2.664 4.125 . 0 0 "[ . 1 . 2]" 2
563 1 62 GLU HA 1 66 LYS QB . . 5.500 5.466 4.593 5.582 0.082 20 0 "[ . 1 . 2]" 2
564 1 62 GLU QB 1 63 TYR H . . 4.190 2.557 2.266 2.884 . 0 0 "[ . 1 . 2]" 2
565 1 62 GLU QG 1 63 TYR H . . 4.530 4.022 3.707 4.395 . 0 0 "[ . 1 . 2]" 2
566 1 63 TYR H 1 63 TYR QD . . 4.610 3.421 2.854 3.661 . 0 0 "[ . 1 . 2]" 2
567 1 63 TYR H 1 63 TYR QE . . 5.500 5.500 5.009 5.657 0.157 2 0 "[ . 1 . 2]" 2
568 1 63 TYR HA 2 6 ILE MG . . 5.500 4.751 2.495 5.552 0.052 15 0 "[ . 1 . 2]" 2
569 1 63 TYR HA 1 63 TYR QD . . 3.820 3.460 3.207 3.678 . 0 0 "[ . 1 . 2]" 2
570 1 63 TYR HA 1 66 LYS QB . . 4.400 3.024 2.617 3.624 . 0 0 "[ . 1 . 2]" 2
571 1 63 TYR HA 1 66 LYS QD . . 5.500 4.029 2.768 5.473 . 0 0 "[ . 1 . 2]" 2
572 1 63 TYR QD 2 6 ILE HB . . 4.310 2.824 1.869 3.967 . 0 0 "[ . 1 . 2]" 2
573 1 63 TYR QD 2 6 ILE MD . . 4.380 2.585 1.870 3.475 . 0 0 "[ . 1 . 2]" 2
574 1 63 TYR QD 2 6 ILE MG . . 4.890 3.094 1.732 3.863 . 0 0 "[ . 1 . 2]" 2
575 1 63 TYR QD 2 8 ILE MD . . 4.250 2.817 2.227 3.342 . 0 0 "[ . 1 . 2]" 2
576 1 63 TYR QD 2 8 ILE MG . . 4.670 3.736 3.236 4.228 . 0 0 "[ . 1 . 2]" 2
577 1 63 TYR QD 1 64 LEU H . . 4.790 2.598 2.128 2.972 . 0 0 "[ . 1 . 2]" 2
578 1 63 TYR QD 1 64 LEU HA . . 5.500 3.458 2.789 3.984 . 0 0 "[ . 1 . 2]" 2
579 1 63 TYR QD 1 64 LEU HG . . 5.480 2.407 2.042 2.884 . 0 0 "[ . 1 . 2]" 2
580 1 63 TYR QD 1 64 LEU MD1 . . 3.960 3.909 3.735 4.059 0.099 19 0 "[ . 1 . 2]" 2
581 1 63 TYR QD 1 64 LEU MD2 . . 4.690 3.092 2.416 3.731 . 0 0 "[ . 1 . 2]" 2
582 1 63 TYR QD 1 67 ALA MB . . 4.810 3.069 2.156 3.809 . 0 0 "[ . 1 . 2]" 2
583 1 63 TYR QE 2 6 ILE HB . . 5.260 4.660 3.618 5.289 0.029 17 0 "[ . 1 . 2]" 2
584 1 63 TYR QE 2 6 ILE MD . . 4.330 4.031 3.355 4.490 0.160 11 0 "[ . 1 . 2]" 2
585 1 63 TYR QE 2 6 ILE MG . . 4.830 4.087 2.807 4.895 0.065 14 0 "[ . 1 . 2]" 2
586 1 63 TYR QE 2 8 ILE HB . . 5.260 4.939 4.712 5.260 . 0 0 "[ . 1 . 2]" 2
587 1 63 TYR QE 2 8 ILE MD . . 4.770 1.802 1.599 1.995 . 0 0 "[ . 1 . 2]" 2
588 1 63 TYR QE 2 8 ILE MG . . 4.800 3.529 2.810 4.327 . 0 0 "[ . 1 . 2]" 2
589 1 63 TYR QE 1 64 LEU HA . . 5.010 3.737 3.163 4.076 . 0 0 "[ . 1 . 2]" 2
590 1 63 TYR QE 1 64 LEU MD1 . . 4.100 3.925 3.431 4.191 0.091 13 0 "[ . 1 . 2]" 2
591 1 63 TYR QE 1 64 LEU MD2 . . 5.130 2.273 1.899 2.693 . 0 0 "[ . 1 . 2]" 2
592 1 63 TYR QE 1 67 ALA MB . . 4.670 3.224 2.192 3.829 . 0 0 "[ . 1 . 2]" 2
593 1 64 LEU H 1 64 LEU MD1 . . 3.910 3.568 3.466 3.669 . 0 0 "[ . 1 . 2]" 2
594 1 64 LEU H 1 64 LEU MD2 . . 4.320 3.513 3.401 3.579 . 0 0 "[ . 1 . 2]" 2
595 1 64 LEU HA 1 64 LEU MD1 . . 4.470 3.831 3.793 3.898 . 0 0 "[ . 1 . 2]" 2
596 1 64 LEU HA 1 64 LEU MD2 . . 3.550 2.009 1.937 2.081 . 0 0 "[ . 1 . 2]" 2
597 1 64 LEU HA 1 67 ALA MB . . 4.290 2.884 2.475 3.577 . 0 0 "[ . 1 . 2]" 2
598 1 64 LEU HB2 1 64 LEU MD2 . . 3.600 3.177 3.157 3.194 . 0 0 "[ . 1 . 2]" 2
599 1 64 LEU MD1 1 65 GLU H . . 4.330 4.381 4.346 4.432 0.102 6 0 "[ . 1 . 2]" 2
600 1 64 LEU MD2 1 65 GLU H . . 5.090 4.627 4.570 4.710 . 0 0 "[ . 1 . 2]" 2
601 1 65 GLU H 1 65 GLU QG . . 3.800 2.130 1.878 2.299 . 0 0 "[ . 1 . 2]" 2
602 1 65 GLU H 1 67 ALA MB . . 5.500 4.903 4.662 5.143 . 0 0 "[ . 1 . 2]" 2
603 1 65 GLU HA 1 68 LEU QD . . 5.240 2.665 2.278 3.226 . 0 0 "[ . 1 . 2]" 2
604 1 65 GLU QG 1 66 LYS H . . 4.600 3.829 2.216 4.128 . 0 0 "[ . 1 . 2]" 2
605 1 66 LYS H 1 66 LYS QB . . 3.300 2.358 2.226 2.505 . 0 0 "[ . 1 . 2]" 2
606 1 66 LYS H 1 66 LYS QD . . 4.590 2.741 2.068 3.843 . 0 0 "[ . 1 . 2]" 2
607 1 66 LYS H 1 66 LYS QE . . 5.500 4.132 2.447 5.155 . 0 0 "[ . 1 . 2]" 2
608 1 66 LYS H 1 66 LYS QG . . 3.800 3.103 2.125 3.680 . 0 0 "[ . 1 . 2]" 2
609 1 66 LYS H 1 67 ALA MB . . 4.920 4.219 4.129 4.330 . 0 0 "[ . 1 . 2]" 2
610 1 66 LYS HA 1 66 LYS QD . . 4.410 2.878 1.974 4.006 . 0 0 "[ . 1 . 2]" 2
611 1 66 LYS HA 1 69 ASN QB . . 5.340 4.341 3.178 5.366 0.026 2 0 "[ . 1 . 2]" 2
612 1 66 LYS QB 1 67 ALA H . . 3.730 2.725 2.473 3.037 . 0 0 "[ . 1 . 2]" 2
613 1 66 LYS QD 1 67 ALA H . . 4.700 4.402 3.965 4.770 0.070 9 0 "[ . 1 . 2]" 2
614 1 66 LYS QG 1 67 ALA H . . 4.580 4.422 3.976 4.699 0.119 1 0 "[ . 1 . 2]" 2
615 1 67 ALA H 1 67 ALA MB . . 3.260 2.251 2.213 2.313 . 0 0 "[ . 1 . 2]" 2
616 1 67 ALA HA 1 70 LYS QB . . 5.310 5.184 4.614 5.431 0.121 12 0 "[ . 1 . 2]" 2
617 1 67 ALA MB 2 8 ILE MG . . 3.600 3.710 3.661 3.807 0.207 15 0 "[ . 1 . 2]" 2
618 1 67 ALA MB 1 68 LEU H . . 3.770 2.881 2.771 2.961 . 0 0 "[ . 1 . 2]" 2
619 1 67 ALA MB 1 68 LEU HA . . 4.980 3.901 3.816 4.021 . 0 0 "[ . 1 . 2]" 2
620 1 67 ALA MB 1 68 LEU HB2 . . 5.380 4.980 4.787 5.087 . 0 0 "[ . 1 . 2]" 2
621 1 67 ALA MB 1 68 LEU HG . . 4.620 3.923 3.510 4.216 . 0 0 "[ . 1 . 2]" 2
622 1 68 LEU H 1 68 LEU QD . . 3.940 3.041 2.958 3.162 . 0 0 "[ . 1 . 2]" 2
623 1 68 LEU HA 1 68 LEU QD . . 3.310 2.045 1.996 2.092 . 0 0 "[ . 1 . 2]" 2
624 1 68 LEU QD 1 69 ASN H . . 4.970 4.260 4.007 4.378 . 0 0 "[ . 1 . 2]" 2
625 1 69 ASN H 1 69 ASN QB . . 3.700 2.490 2.247 2.710 . 0 0 "[ . 1 . 2]" 2
626 1 69 ASN QB 1 70 LYS H . . 4.440 3.509 2.470 4.096 . 0 0 "[ . 1 . 2]" 2
627 1 70 LYS H 1 70 LYS QB . . 3.530 3.071 2.428 3.392 . 0 0 "[ . 1 . 2]" 2
628 1 70 LYS H 1 70 LYS QG . . 4.560 3.244 2.682 4.226 . 0 0 "[ . 1 . 2]" 2
629 1 70 LYS HB3 1 70 LYS QD . . 3.060 2.545 2.336 3.229 0.169 11 0 "[ . 1 . 2]" 2
630 1 70 LYS QB 1 70 LYS QD . . 2.320 2.187 2.101 2.342 0.022 1 0 "[ . 1 . 2]" 2
631 1 70 LYS QB 1 70 LYS QE . . 4.320 3.114 1.918 3.827 . 0 0 "[ . 1 . 2]" 2
632 2 4 GLU H 2 4 GLU QG . . 4.120 2.599 1.950 3.985 . 0 0 "[ . 1 . 2]" 2
633 2 4 GLU QG 2 5 GLY H . . 5.180 3.509 2.149 4.658 . 0 0 "[ . 1 . 2]" 2
634 2 5 GLY QA 2 6 ILE HA . . 5.500 4.001 3.873 4.509 . 0 0 "[ . 1 . 2]" 2
635 2 5 GLY QA 2 6 ILE MG . . 5.500 4.887 3.556 5.204 . 0 0 "[ . 1 . 2]" 2
636 2 6 ILE HA 2 7 SER QB . . 5.500 4.382 3.920 4.487 . 0 0 "[ . 1 . 2]" 2
637 2 6 ILE MD 2 6 ILE MG . . 2.760 1.930 1.828 1.975 . 0 0 "[ . 1 . 2]" 2
638 2 6 ILE MG 2 7 SER H . . 5.500 3.263 2.590 3.875 . 0 0 "[ . 1 . 2]" 2
639 2 6 ILE MG 2 7 SER HA . . 5.500 4.339 3.811 5.115 . 0 0 "[ . 1 . 2]" 2
640 2 6 ILE MG 2 7 SER QB . . 5.500 4.443 4.035 4.888 . 0 0 "[ . 1 . 2]" 2
641 2 7 SER HA 2 8 ILE MG . . 5.500 3.927 3.695 4.440 . 0 0 "[ . 1 . 2]" 2
642 2 7 SER QB 2 8 ILE H . . 5.190 3.633 2.035 4.048 . 0 0 "[ . 1 . 2]" 2
643 2 8 ILE MD 2 8 ILE MG . . 2.710 1.832 1.696 1.961 . 0 0 "[ . 1 . 2]" 2
644 2 8 ILE MG 2 9 TYR H . . 5.500 3.584 3.467 3.750 . 0 0 "[ . 1 . 2]" 2
645 2 8 ILE MG 2 9 TYR QD . . 5.500 4.424 4.096 5.117 . 0 0 "[ . 1 . 2]" 2
646 2 8 ILE MG 2 9 TYR QE . . 5.500 5.378 4.925 5.554 0.054 17 0 "[ . 1 . 2]" 2
647 2 9 TYR H 2 9 TYR QD . . 5.500 2.228 1.921 3.400 . 0 0 "[ . 1 . 2]" 2
648 2 9 TYR H 2 9 TYR QE . . 5.500 4.168 3.961 4.580 . 0 0 "[ . 1 . 2]" 2
649 2 9 TYR HA 2 9 TYR QD . . 3.910 3.783 3.722 3.819 . 0 0 "[ . 1 . 2]" 2
650 2 9 TYR QD 2 10 THR H . . 4.410 3.540 3.353 3.659 . 0 0 "[ . 1 . 2]" 2
651 2 9 TYR QD 2 11 SER H . . 5.500 4.751 3.426 5.264 . 0 0 "[ . 1 . 2]" 2
652 2 9 TYR QE 2 10 THR H . . 5.500 5.507 5.379 5.559 0.059 18 0 "[ . 1 . 2]" 2
653 2 9 TYR QE 2 11 SER H . . 5.500 5.126 4.244 5.573 0.073 7 0 "[ . 1 . 2]" 2
654 2 10 THR MG 2 11 SER H . . 5.500 3.765 2.387 4.212 . 0 0 "[ . 1 . 2]" 2
655 2 11 SER HB3 2 14 TYR QE . . 5.500 4.075 2.710 5.512 0.012 4 0 "[ . 1 . 2]" 2
656 2 12 ASP QB 2 13 ASN H . . 4.470 2.556 2.117 3.719 . 0 0 "[ . 1 . 2]" 2
657 2 13 ASN QB 2 14 TYR H . . 5.270 2.986 2.039 3.824 . 0 0 "[ . 1 . 2]" 2
658 2 14 TYR H 2 14 TYR QD . . 5.130 2.800 1.985 3.419 . 0 0 "[ . 1 . 2]" 2
659 2 14 TYR H 2 14 TYR QE . . 4.950 4.599 4.208 5.034 0.084 9 0 "[ . 1 . 2]" 2
660 2 14 TYR QB 2 15 THR H . . 4.770 2.345 1.738 3.189 . 0 0 "[ . 1 . 2]" 2
661 2 14 TYR QB 2 15 THR MG . . 5.500 4.797 2.317 5.491 . 0 0 "[ . 1 . 2]" 2
662 2 14 TYR QB 2 16 GLU H . . 5.500 2.909 2.092 4.377 . 0 0 "[ . 1 . 2]" 2
663 2 14 TYR QD 2 15 THR H . . 5.500 3.439 2.609 3.827 . 0 0 "[ . 1 . 2]" 2
664 2 14 TYR QD 2 16 GLU QB . . 4.730 3.284 2.127 4.742 0.012 18 0 "[ . 1 . 2]" 2
665 2 14 TYR QD 2 17 GLU H . . 5.180 3.275 1.856 4.398 . 0 0 "[ . 1 . 2]" 2
666 2 14 TYR QE 2 15 THR H . . 5.500 5.386 3.721 5.608 0.108 18 0 "[ . 1 . 2]" 2
667 2 14 TYR QE 2 17 GLU QB . . 4.150 3.203 1.941 4.212 0.062 14 0 "[ . 1 . 2]" 2
668 2 15 THR H 2 15 THR MG . . 4.760 3.461 2.337 3.991 . 0 0 "[ . 1 . 2]" 2
669 2 15 THR MG 2 16 GLU H . . 5.020 3.944 1.651 4.331 . 0 0 "[ . 1 . 2]" 2
670 2 15 THR MG 2 17 GLU H . . 5.500 4.900 3.947 5.507 0.007 18 0 "[ . 1 . 2]" 2
671 2 16 GLU H 2 16 GLU QG . . 4.500 3.085 2.072 4.008 . 0 0 "[ . 1 . 2]" 2
672 2 16 GLU QB 2 17 GLU H . . 3.800 2.733 2.238 3.651 . 0 0 "[ . 1 . 2]" 2
673 2 16 GLU QG 2 17 GLU H . . 4.130 3.672 2.132 4.138 0.008 6 0 "[ . 1 . 2]" 2
674 2 17 GLU QB 2 18 MET H . . 4.200 3.492 2.630 3.862 . 0 0 "[ . 1 . 2]" 2
675 2 18 MET H 2 18 MET QG . . 5.070 2.472 2.096 4.250 . 0 0 "[ . 1 . 2]" 2
676 2 18 MET QG 2 19 GLY H . . 5.500 3.246 2.436 4.610 . 0 0 "[ . 1 . 2]" 2
677 2 20 SER QB 2 21 GLY H . . 5.360 2.970 1.923 3.879 . 0 0 "[ . 1 . 2]" 2
678 2 21 GLY QA 2 23 TYR QD . . 4.660 3.007 2.192 4.433 . 0 0 "[ . 1 . 2]" 2
679 2 21 GLY QA 2 23 TYR QE . . 4.460 3.956 2.676 4.526 0.066 11 0 "[ . 1 . 2]" 2
680 2 22 ASP H 2 23 TYR QD . . 5.500 3.304 2.559 4.371 . 0 0 "[ . 1 . 2]" 2
681 2 22 ASP H 2 23 TYR QE . . 5.020 3.971 3.383 4.462 . 0 0 "[ . 1 . 2]" 2
682 2 22 ASP HB3 2 23 TYR QD . . 5.500 4.819 3.186 5.577 0.077 12 0 "[ . 1 . 2]" 2
683 2 22 ASP QB 2 23 TYR QD . . 4.720 4.126 3.139 4.833 0.113 10 0 "[ . 1 . 2]" 2
684 2 23 TYR H 2 23 TYR QD . . 4.360 2.405 1.838 3.049 . 0 0 "[ . 1 . 2]" 2
685 2 23 TYR H 2 23 TYR QE . . 5.500 4.142 3.733 4.594 . 0 0 "[ . 1 . 2]" 2
686 2 23 TYR HA 2 23 TYR QD . . 3.580 2.890 2.201 3.672 0.092 11 0 "[ . 1 . 2]" 2
687 2 23 TYR QD 2 24 ASP H . . 5.500 4.302 3.272 4.871 . 0 0 "[ . 1 . 2]" 2
688 2 23 TYR QD 2 25 SER H . . 5.500 4.778 2.331 5.501 0.001 19 0 "[ . 1 . 2]" 2
689 2 24 ASP H 2 25 SER QB . . 5.340 4.609 4.180 5.352 0.012 20 0 "[ . 1 . 2]" 2
690 2 26 MET H 2 26 MET QG . . 4.570 2.836 1.974 4.117 . 0 0 "[ . 1 . 2]" 2
691 2 27 LYS H 2 27 LYS QD . . 5.500 4.564 1.884 5.520 0.020 12 0 "[ . 1 . 2]" 2
692 2 27 LYS H 2 27 LYS QG . . 4.880 3.835 2.086 4.361 . 0 0 "[ . 1 . 2]" 2
693 2 27 LYS QB 2 27 LYS QD . . 3.250 2.297 2.033 2.800 . 0 0 "[ . 1 . 2]" 2
694 2 27 LYS QB 2 28 GLU H . . 4.430 3.906 3.596 4.017 . 0 0 "[ . 1 . 2]" 2
695 2 27 LYS QD 2 28 GLU H . . 5.500 4.693 2.240 5.596 0.096 20 0 "[ . 1 . 2]" 2
696 2 27 LYS QG 2 28 GLU H . . 5.500 3.709 3.052 4.587 . 0 0 "[ . 1 . 2]" 2
697 2 28 GLU H 2 28 GLU QB . . 3.650 2.503 2.159 2.812 . 0 0 "[ . 1 . 2]" 2
698 2 28 GLU HA 2 29 PRO QG . . 5.500 3.828 3.519 4.004 . 0 0 "[ . 1 . 2]" 2
699 2 28 GLU QB 2 29 PRO HD3 . . 4.710 3.452 2.528 4.260 . 0 0 "[ . 1 . 2]" 2
700 2 29 PRO HA 2 30 ALA MB . . 5.500 4.149 3.880 4.574 . 0 0 "[ . 1 . 2]" 2
701 2 29 PRO HB3 2 30 ALA MB . . 5.500 4.969 4.138 5.582 0.082 13 0 "[ . 1 . 2]" 2
702 2 29 PRO QG 2 30 ALA H . . 5.340 3.963 1.968 4.965 . 0 0 "[ . 1 . 2]" 2
703 2 29 PRO QG 2 31 PHE H . . 5.500 4.909 3.534 5.526 0.026 15 0 "[ . 1 . 2]" 2
704 2 30 ALA MB 2 31 PHE H . . 4.730 2.519 1.872 3.571 . 0 0 "[ . 1 . 2]" 2
705 2 30 ALA MB 2 31 PHE QD . . 5.500 3.786 2.127 5.160 . 0 0 "[ . 1 . 2]" 2
706 2 31 PHE H 2 31 PHE QB . . 3.680 2.939 2.191 3.474 . 0 0 "[ . 1 . 2]" 2
707 2 31 PHE H 2 31 PHE QD . . 5.230 3.381 2.322 4.498 . 0 0 "[ . 1 . 2]" 2
708 2 31 PHE HA 2 31 PHE QD . . 4.300 3.311 2.290 3.758 . 0 0 "[ . 1 . 2]" 2
709 2 31 PHE HA 2 31 PHE QE . . 5.500 5.243 4.336 5.654 0.154 20 0 "[ . 1 . 2]" 2
710 2 31 PHE QB 2 33 GLU H . . 5.340 3.619 2.364 5.075 . 0 0 "[ . 1 . 2]" 2
711 2 31 PHE QB 2 36 ALA HA . . 5.340 4.251 2.472 5.439 0.099 18 0 "[ . 1 . 2]" 2
712 2 31 PHE QD 2 32 ARG H . . 5.500 3.135 2.197 4.254 . 0 0 "[ . 1 . 2]" 2
713 2 31 PHE QD 2 32 ARG HA . . 4.980 4.201 3.201 5.042 0.062 13 0 "[ . 1 . 2]" 2
714 2 31 PHE QD 2 33 GLU QB . . 4.970 3.898 1.920 5.081 0.111 14 0 "[ . 1 . 2]" 2
715 2 31 PHE QD 2 33 GLU QG . . 5.100 4.256 2.792 5.138 0.038 18 0 "[ . 1 . 2]" 2
716 2 31 PHE QD 2 34 GLU QB . . 5.500 4.673 2.398 5.674 0.174 15 0 "[ . 1 . 2]" 2
717 2 31 PHE QE 2 32 ARG H . . 5.500 4.626 3.697 5.526 0.026 9 0 "[ . 1 . 2]" 2
718 2 32 ARG H 2 32 ARG QG . . 4.750 3.911 2.794 4.514 . 0 0 "[ . 1 . 2]" 2
719 2 32 ARG HA 2 33 GLU QG . . 5.500 4.896 3.406 5.700 0.200 5 0 "[ . 1 . 2]" 2
720 2 32 ARG QG 2 33 GLU H . . 5.440 4.020 2.851 5.048 . 0 0 "[ . 1 . 2]" 2
721 2 33 GLU H 2 33 GLU QG . . 5.020 3.131 1.906 4.352 . 0 0 "[ . 1 . 2]" 2
722 2 33 GLU QB 2 34 GLU H . . 4.500 2.962 1.758 3.817 . 0 0 "[ . 1 . 2]" 2
723 2 33 GLU QG 2 34 GLU H . . 5.500 3.483 1.632 4.907 . 0 0 "[ . 1 . 2]" 2
724 2 34 GLU H 2 34 GLU QG . . 4.710 3.110 1.837 4.008 . 0 0 "[ . 1 . 2]" 2
725 2 34 GLU QB 2 35 ASN H . . 5.500 2.899 1.944 3.955 . 0 0 "[ . 1 . 2]" 2
726 2 34 GLU QG 2 35 ASN H . . 5.500 3.356 2.272 4.575 . 0 0 "[ . 1 . 2]" 2
727 2 35 ASN HA 2 36 ALA MB . . 5.500 4.109 3.914 4.535 . 0 0 "[ . 1 . 2]" 2
728 2 35 ASN QB 2 36 ALA H . . 5.500 3.366 2.246 4.011 . 0 0 "[ . 1 . 2]" 2
729 2 36 ALA MB 2 37 ASN H . . 5.500 2.924 1.888 3.656 . 0 0 "[ . 1 . 2]" 2
730 2 38 PHE H 2 38 PHE QD . . 5.260 3.674 2.029 4.507 . 0 0 "[ . 1 . 2]" 2
731 2 40 LYS HA 2 40 LYS QE . . 5.500 4.334 1.787 5.408 . 0 0 "[ . 1 . 2]" 2
732 2 40 LYS QB 2 40 LYS QD . . 2.460 2.254 2.097 2.483 0.023 19 0 "[ . 1 . 2]" 2
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