NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600355 |
2n3k   |
25649 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3k
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 1104
_Distance_constraint_stats_list.Viol_count 1889
_Distance_constraint_stats_list.Viol_total 2734.444
_Distance_constraint_stats_list.Viol_max 0.966
_Distance_constraint_stats_list.Viol_rms 0.0334
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0724
_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 7 SER 0.210 0.109 1 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.149 0.109 1 0 "[ . 1 . 2]"
1 10 GLU 0.359 0.090 17 0 "[ . 1 . 2]"
1 11 ASP 0.259 0.090 17 0 "[ . 1 . 2]"
1 12 LYS 0.011 0.010 10 0 "[ . 1 . 2]"
1 13 CYS 0.468 0.048 10 0 "[ . 1 . 2]"
1 14 LYS 1.999 0.127 14 0 "[ . 1 . 2]"
1 15 PRO 2.631 0.127 14 0 "[ . 1 . 2]"
1 16 MET 3.489 0.210 16 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TYR 3.963 0.199 16 0 "[ . 1 . 2]"
1 19 GLU 1.705 0.286 10 0 "[ . 1 . 2]"
1 20 GLU 0.365 0.340 18 0 "[ . 1 . 2]"
1 21 LYS 1.333 0.340 18 0 "[ . 1 . 2]"
1 22 ARG 5.738 0.286 10 0 "[ . 1 . 2]"
1 23 GLN 2.011 0.127 2 0 "[ . 1 . 2]"
1 24 LEU 2.695 0.377 18 0 "[ . 1 . 2]"
1 25 SER 1.145 0.128 8 0 "[ . 1 . 2]"
1 26 LEU 3.708 0.152 2 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 1.382 0.135 15 0 "[ . 1 . 2]"
1 29 ASN 0.448 0.079 20 0 "[ . 1 . 2]"
1 30 LYS 2.215 0.152 2 0 "[ . 1 . 2]"
1 31 LEU 0.331 0.056 19 0 "[ . 1 . 2]"
1 32 PRO 0.134 0.085 14 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.037 0.029 17 0 "[ . 1 . 2]"
1 35 LYS 0.138 0.085 14 0 "[ . 1 . 2]"
1 36 LEU 2.645 0.192 12 0 "[ . 1 . 2]"
1 37 GLY 0.833 0.132 19 0 "[ . 1 . 2]"
1 38 ARG 0.032 0.029 17 0 "[ . 1 . 2]"
1 39 VAL 1.468 0.192 12 0 "[ . 1 . 2]"
1 40 VAL 8.809 0.356 6 0 "[ . 1 . 2]"
1 41 HIS 0.125 0.043 1 0 "[ . 1 . 2]"
1 42 ILE 4.272 0.239 4 0 "[ . 1 . 2]"
1 43 ILE 2.331 0.152 3 0 "[ . 1 . 2]"
1 44 GLN 4.393 0.235 15 0 "[ . 1 . 2]"
1 45 SER 0.170 0.075 19 0 "[ . 1 . 2]"
1 46 ARG 0.062 0.062 2 0 "[ . 1 . 2]"
1 47 GLU 1.848 0.132 7 0 "[ . 1 . 2]"
1 48 PRO 0.399 0.080 11 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 1.319 0.108 8 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASN 1.201 0.288 14 0 "[ . 1 . 2]"
1 53 SER 0.549 0.099 11 0 "[ . 1 . 2]"
1 54 ASN 2.853 0.287 7 0 "[ . 1 . 2]"
1 55 PRO 1.391 0.288 14 0 "[ . 1 . 2]"
1 56 ASP 1.852 0.179 16 0 "[ . 1 . 2]"
1 57 GLU 7.762 0.248 9 0 "[ . 1 . 2]"
1 58 ILE 17.306 0.873 15 5 "[ * 1 -+ **]"
1 59 GLU 1.135 0.137 1 0 "[ . 1 . 2]"
1 60 ILE 5.275 0.631 1 3 "[+* . 1 .- 2]"
1 61 ASP 2.299 0.195 17 0 "[ . 1 . 2]"
1 62 PHE 11.872 0.377 18 0 "[ . 1 . 2]"
1 63 GLU 0.224 0.078 6 0 "[ . 1 . 2]"
1 64 THR 0.174 0.081 6 0 "[ . 1 . 2]"
1 65 LEU 8.804 0.346 17 0 "[ . 1 . 2]"
1 66 LYS 3.034 0.183 13 0 "[ . 1 . 2]"
1 67 PRO 1.691 0.170 18 0 "[ . 1 . 2]"
1 68 SER 0.391 0.070 6 0 "[ . 1 . 2]"
1 69 THR 5.673 0.167 3 0 "[ . 1 . 2]"
1 70 LEU 6.272 0.210 16 0 "[ . 1 . 2]"
1 71 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 2.932 0.239 4 0 "[ . 1 . 2]"
1 74 GLU 2.519 0.167 15 0 "[ . 1 . 2]"
1 75 ARG 0.216 0.115 7 0 "[ . 1 . 2]"
1 76 TYR 0.182 0.033 2 0 "[ . 1 . 2]"
1 77 VAL 6.470 0.167 15 0 "[ . 1 . 2]"
1 78 THR 2.436 0.120 15 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 CYS 0.166 0.050 13 0 "[ . 1 . 2]"
1 81 LEU 1.899 0.123 8 0 "[ . 1 . 2]"
1 82 ARG 0.046 0.027 2 0 "[ . 1 . 2]"
1 83 LYS 0.042 0.027 2 0 "[ . 1 . 2]"
2 1 THR 0.200 0.022 18 0 "[ . 1 . 2]"
2 2 TRP 15.946 0.248 9 0 "[ . 1 . 2]"
2 3 ARG 3.499 0.131 8 0 "[ . 1 . 2]"
2 4 VAL 2.650 0.349 18 0 "[ . 1 . 2]"
2 5 GLN 1.718 0.110 11 0 "[ . 1 . 2]"
2 6 ARG 10.380 0.966 2 6 "[*+ *. 1- .* * 2]"
2 7 SER 2.517 0.281 11 0 "[ . 1 . 2]"
2 8 GLN 1.526 0.399 11 0 "[ . 1 . 2]"
2 9 ASN 5.741 0.281 11 0 "[ . 1 . 2]"
2 10 PRO 4.896 0.219 13 0 "[ . 1 . 2]"
2 11 LEU 10.985 0.301 18 0 "[ . 1 . 2]"
2 12 LYS 5.877 0.173 15 0 "[ . 1 . 2]"
2 13 ILE 10.775 0.966 2 6 "[*+ *. 1* .- * 2]"
2 14 ARG 1.549 0.137 1 0 "[ . 1 . 2]"
2 15 LEU 19.186 0.873 15 5 "[ * 1 -+ **]"
2 16 THR 4.719 0.287 7 0 "[ . 1 . 2]"
2 17 ARG 4.403 0.158 8 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 SER HA 1 9 GLU QB . . 5.340 4.674 4.133 5.449 0.109 1 0 "[ . 1 . 2]" 1
2 1 7 SER HA 1 10 GLU H . . 5.500 4.734 3.809 5.504 0.004 7 0 "[ . 1 . 2]" 1
3 1 7 SER HA 1 10 GLU QB . . 5.340 4.782 3.601 5.370 0.030 1 0 "[ . 1 . 2]" 1
4 1 7 SER HA 1 10 GLU QG . . 5.340 4.724 3.240 5.353 0.013 1 0 "[ . 1 . 2]" 1
5 1 7 SER QB 1 9 GLU H . . 5.340 2.782 2.364 4.010 . 0 0 "[ . 1 . 2]" 1
6 1 7 SER QB 1 9 GLU HA . . 5.340 5.119 4.880 5.361 0.021 17 0 "[ . 1 . 2]" 1
7 1 7 SER QB 1 10 GLU HA . . 5.340 4.513 3.463 5.029 . 0 0 "[ . 1 . 2]" 1
8 1 7 SER QB 1 10 GLU QG . . 5.180 2.886 1.936 3.939 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLU H 1 9 GLU H . . 5.500 2.783 2.553 2.982 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLU H 1 10 GLU QG . . 5.340 4.027 2.660 5.339 . 0 0 "[ . 1 . 2]" 1
11 1 10 GLU HA 1 13 CYS QB . . 5.340 3.116 2.282 4.689 . 0 0 "[ . 1 . 2]" 1
12 1 10 GLU QB 1 11 ASP QB . . 5.180 4.281 3.449 5.263 0.083 12 0 "[ . 1 . 2]" 1
13 1 10 GLU QB 1 13 CYS H . . 5.340 4.737 2.789 5.361 0.021 10 0 "[ . 1 . 2]" 1
14 1 10 GLU QG 1 11 ASP HA . . 5.340 4.312 3.259 5.430 0.090 17 0 "[ . 1 . 2]" 1
15 1 10 GLU QG 1 11 ASP QB . . 5.180 4.160 2.767 5.182 0.002 19 0 "[ . 1 . 2]" 1
16 1 11 ASP H 1 12 LYS H . . 5.500 2.515 2.194 2.775 . 0 0 "[ . 1 . 2]" 1
17 1 11 ASP QB 1 13 CYS H . . 5.340 4.633 4.417 4.993 . 0 0 "[ . 1 . 2]" 1
18 1 12 LYS HA 1 14 LYS QD . . 5.340 4.226 3.218 5.302 . 0 0 "[ . 1 . 2]" 1
19 1 12 LYS HA 1 14 LYS QE . . 5.340 4.095 2.693 5.341 0.001 19 0 "[ . 1 . 2]" 1
20 1 12 LYS HA 1 14 LYS QG . . 5.340 4.668 4.055 5.350 0.010 10 0 "[ . 1 . 2]" 1
21 1 13 CYS H 1 14 LYS H . . 5.500 4.381 4.253 4.604 . 0 0 "[ . 1 . 2]" 1
22 1 13 CYS HA 1 14 LYS QD . . 5.340 4.176 2.966 5.171 . 0 0 "[ . 1 . 2]" 1
23 1 13 CYS HA 1 14 LYS QG . . 5.340 4.209 3.517 5.243 . 0 0 "[ . 1 . 2]" 1
24 1 13 CYS HA 1 67 PRO HG2 . . 5.500 5.511 5.416 5.548 0.048 10 0 "[ . 1 . 2]" 1
25 1 13 CYS QB 1 14 LYS QD . . 5.180 5.037 4.409 5.193 0.013 5 0 "[ . 1 . 2]" 1
26 1 13 CYS QB 1 67 PRO HB2 . . 5.340 3.818 3.304 4.803 . 0 0 "[ . 1 . 2]" 1
27 1 13 CYS QB 1 68 SER HA . . 5.340 3.337 2.473 4.323 . 0 0 "[ . 1 . 2]" 1
28 1 13 CYS QB 1 68 SER QB . . 5.180 3.438 2.700 4.196 . 0 0 "[ . 1 . 2]" 1
29 1 14 LYS HA 1 14 LYS QE . . 5.340 4.292 3.929 4.769 . 0 0 "[ . 1 . 2]" 1
30 1 14 LYS HA 1 15 PRO HB2 . . 5.500 5.595 5.581 5.627 0.127 14 0 "[ . 1 . 2]" 1
31 1 14 LYS HA 1 15 PRO QG . . 5.110 4.012 3.992 4.058 . 0 0 "[ . 1 . 2]" 1
32 1 14 LYS QB 1 15 PRO QD . . 5.180 1.979 1.945 2.250 . 0 0 "[ . 1 . 2]" 1
33 1 14 LYS QG 1 15 PRO QD . . 5.180 3.351 2.422 3.840 . 0 0 "[ . 1 . 2]" 1
34 1 15 PRO HA 1 67 PRO HA . . 5.500 3.993 3.713 4.210 . 0 0 "[ . 1 . 2]" 1
35 1 15 PRO HA 1 67 PRO HB2 . . 5.500 2.813 2.759 2.855 . 0 0 "[ . 1 . 2]" 1
36 1 15 PRO HB2 1 16 MET HB2 . . 5.500 5.448 5.305 5.600 0.100 6 0 "[ . 1 . 2]" 1
37 1 15 PRO HB2 1 16 MET QG . . 5.340 4.867 4.656 5.145 . 0 0 "[ . 1 . 2]" 1
38 1 15 PRO HB2 1 67 PRO HB2 . . 5.500 5.523 5.466 5.563 0.063 10 0 "[ . 1 . 2]" 1
39 1 15 PRO QD 1 67 PRO HB2 . . 5.350 4.816 4.639 4.983 . 0 0 "[ . 1 . 2]" 1
40 1 16 MET H 1 17 SER H . . 5.500 4.212 4.052 4.405 . 0 0 "[ . 1 . 2]" 1
41 1 16 MET H 1 70 LEU MD2 . . 5.500 4.110 3.350 5.309 . 0 0 "[ . 1 . 2]" 1
42 1 16 MET HA 1 16 MET ME . . 5.500 3.749 3.460 4.020 . 0 0 "[ . 1 . 2]" 1
43 1 16 MET HA 1 70 LEU MD2 . . 5.500 4.468 3.940 5.121 . 0 0 "[ . 1 . 2]" 1
44 1 16 MET HB2 1 70 LEU HA . . 5.500 5.621 5.538 5.710 0.210 16 0 "[ . 1 . 2]" 1
45 1 16 MET HB2 1 70 LEU HB2 . . 5.500 3.571 3.215 3.880 . 0 0 "[ . 1 . 2]" 1
46 1 16 MET HB2 1 70 LEU HG . . 5.500 4.327 3.724 4.975 . 0 0 "[ . 1 . 2]" 1
47 1 16 MET ME 1 17 SER H . . 5.500 4.682 4.099 5.089 . 0 0 "[ . 1 . 2]" 1
48 1 16 MET ME 1 74 GLU QB . . 5.340 2.708 2.210 3.285 . 0 0 "[ . 1 . 2]" 1
49 1 16 MET ME 1 70 LEU HA . . 5.500 4.138 3.531 4.818 . 0 0 "[ . 1 . 2]" 1
50 1 16 MET ME 1 70 LEU HB2 . . 5.500 3.863 3.296 4.499 . 0 0 "[ . 1 . 2]" 1
51 1 16 MET ME 1 71 ARG H . . 5.500 3.417 2.665 4.353 . 0 0 "[ . 1 . 2]" 1
52 1 16 MET ME 1 71 ARG HA . . 5.500 2.301 1.964 3.112 . 0 0 "[ . 1 . 2]" 1
53 1 16 MET ME 1 24 LEU MD2 . . 5.500 3.075 2.097 4.574 . 0 0 "[ . 1 . 2]" 1
54 1 16 MET QG 1 17 SER H . . 5.340 4.585 4.303 4.743 . 0 0 "[ . 1 . 2]" 1
55 1 16 MET QG 1 67 PRO HB2 . . 5.340 3.420 3.338 3.548 . 0 0 "[ . 1 . 2]" 1
56 1 16 MET QG 1 67 PRO HG2 . . 5.340 5.382 5.346 5.510 0.170 18 0 "[ . 1 . 2]" 1
57 1 16 MET QG 1 70 LEU MD2 . . 5.340 2.868 2.484 3.403 . 0 0 "[ . 1 . 2]" 1
58 1 16 MET QG 1 71 ARG HA . . 5.340 3.818 3.241 4.928 . 0 0 "[ . 1 . 2]" 1
59 1 17 SER H 1 20 GLU H . . 5.500 4.007 3.436 4.617 . 0 0 "[ . 1 . 2]" 1
60 1 17 SER H 1 21 LYS H . . 5.500 4.778 4.247 5.396 . 0 0 "[ . 1 . 2]" 1
61 1 17 SER HA 1 19 GLU H . . 5.500 4.204 3.998 4.383 . 0 0 "[ . 1 . 2]" 1
62 1 17 SER QB 1 19 GLU HA . . 5.340 4.755 4.658 4.919 . 0 0 "[ . 1 . 2]" 1
63 1 18 TYR HA 1 21 LYS H . . 5.500 3.461 3.137 3.896 . 0 0 "[ . 1 . 2]" 1
64 1 18 TYR HA 1 21 LYS QB . . 5.340 2.443 1.913 4.060 . 0 0 "[ . 1 . 2]" 1
65 1 18 TYR HA 1 21 LYS QG . . 5.340 3.146 1.947 4.264 . 0 0 "[ . 1 . 2]" 1
66 1 18 TYR QB 1 22 ARG HA . . 5.340 5.423 5.080 5.539 0.199 16 0 "[ . 1 . 2]" 1
67 1 19 GLU H 1 20 GLU H . . 5.500 2.935 2.742 3.049 . 0 0 "[ . 1 . 2]" 1
68 1 19 GLU H 1 21 LYS H . . 5.500 4.054 3.680 4.773 . 0 0 "[ . 1 . 2]" 1
69 1 19 GLU H 1 22 ARG QG . . 5.340 5.198 4.648 5.626 0.286 10 0 "[ . 1 . 2]" 1
70 1 19 GLU HA 1 22 ARG H . . 5.500 3.859 3.485 4.137 . 0 0 "[ . 1 . 2]" 1
71 1 19 GLU HA 1 22 ARG QB . . 5.340 3.286 2.218 3.956 . 0 0 "[ . 1 . 2]" 1
72 1 19 GLU HA 1 22 ARG QD . . 5.340 4.708 2.173 5.334 . 0 0 "[ . 1 . 2]" 1
73 1 19 GLU QG 1 22 ARG QB . . 5.180 4.693 3.701 5.261 0.081 11 0 "[ . 1 . 2]" 1
74 1 20 GLU H 1 21 LYS H . . 5.500 2.673 2.407 3.035 . 0 0 "[ . 1 . 2]" 1
75 1 20 GLU H 1 21 LYS QG . . 5.340 4.495 3.661 5.680 0.340 18 0 "[ . 1 . 2]" 1
76 1 20 GLU H 1 23 GLN H . . 5.500 5.077 4.919 5.281 . 0 0 "[ . 1 . 2]" 1
77 1 20 GLU HA 1 21 LYS H . . 4.000 3.508 3.436 3.570 . 0 0 "[ . 1 . 2]" 1
78 1 20 GLU HA 1 23 GLN H . . 5.500 3.657 3.396 4.105 . 0 0 "[ . 1 . 2]" 1
79 1 20 GLU HA 1 23 GLN QB . . 5.340 3.002 2.526 3.985 . 0 0 "[ . 1 . 2]" 1
80 1 20 GLU HA 1 23 GLN QG . . 5.340 4.411 3.843 5.365 0.025 6 0 "[ . 1 . 2]" 1
81 1 21 LYS H 1 22 ARG H . . 5.500 2.729 2.556 2.867 . 0 0 "[ . 1 . 2]" 1
82 1 21 LYS H 1 24 LEU MD2 . . 5.500 4.568 3.431 5.525 0.025 9 0 "[ . 1 . 2]" 1
83 1 21 LYS HA 1 22 ARG H . . 4.000 3.544 3.480 3.572 . 0 0 "[ . 1 . 2]" 1
84 1 21 LYS HA 1 24 LEU H . . 5.500 3.322 3.056 3.662 . 0 0 "[ . 1 . 2]" 1
85 1 21 LYS HA 1 24 LEU QB . . 5.500 2.848 1.931 3.618 . 0 0 "[ . 1 . 2]" 1
86 1 21 LYS HA 1 24 LEU MD2 . . 5.500 2.640 1.882 4.118 . 0 0 "[ . 1 . 2]" 1
87 1 22 ARG H 1 23 GLN H . . 5.500 2.790 2.638 2.988 . 0 0 "[ . 1 . 2]" 1
88 1 22 ARG H 1 24 LEU H . . 5.500 4.245 3.832 4.654 . 0 0 "[ . 1 . 2]" 1
89 1 22 ARG H 1 25 SER H . . 5.500 4.945 4.607 5.296 . 0 0 "[ . 1 . 2]" 1
90 1 22 ARG HA 1 23 GLN H . . 4.000 3.510 3.474 3.571 . 0 0 "[ . 1 . 2]" 1
91 1 22 ARG HA 1 25 SER H . . 5.000 3.609 3.090 3.980 . 0 0 "[ . 1 . 2]" 1
92 1 22 ARG QD 1 26 LEU MD2 . . 5.340 4.419 3.693 5.393 0.053 16 0 "[ . 1 . 2]" 1
93 1 22 ARG QG 1 24 LEU H . . 5.340 4.667 4.336 5.534 0.194 17 0 "[ . 1 . 2]" 1
94 1 22 ARG QG 1 25 SER H . . 5.340 5.297 4.888 5.468 0.128 8 0 "[ . 1 . 2]" 1
95 1 23 GLN H 1 24 LEU H . . 5.500 2.575 2.413 2.712 . 0 0 "[ . 1 . 2]" 1
96 1 23 GLN H 1 24 LEU MD2 . . 5.500 4.668 3.311 5.200 . 0 0 "[ . 1 . 2]" 1
97 1 23 GLN HA 1 23 GLN HE21 . . 5.500 3.849 2.197 4.694 . 0 0 "[ . 1 . 2]" 1
98 1 23 GLN HA 1 23 GLN HE22 . . 5.500 4.182 3.051 5.438 . 0 0 "[ . 1 . 2]" 1
99 1 23 GLN HA 1 24 LEU H . . 4.000 3.515 3.449 3.567 . 0 0 "[ . 1 . 2]" 1
100 1 23 GLN HA 1 26 LEU H . . 5.500 3.654 3.403 3.923 . 0 0 "[ . 1 . 2]" 1
101 1 23 GLN HA 1 26 LEU MD2 . . 5.500 3.633 3.308 4.218 . 0 0 "[ . 1 . 2]" 1
102 1 23 GLN HA 1 26 LEU HG . . 5.500 5.566 5.363 5.627 0.127 2 0 "[ . 1 . 2]" 1
103 1 23 GLN HA 1 26 LEU QB . . 5.340 3.048 2.642 3.543 . 0 0 "[ . 1 . 2]" 1
104 1 23 GLN HA 1 27 ASP H . . 5.500 3.826 3.498 4.135 . 0 0 "[ . 1 . 2]" 1
105 1 23 GLN HE21 1 26 LEU MD2 . . 5.500 3.867 2.488 5.517 0.017 16 0 "[ . 1 . 2]" 1
106 1 23 GLN HE21 1 27 ASP HA . . 5.500 4.523 3.904 5.293 . 0 0 "[ . 1 . 2]" 1
107 1 23 GLN HE22 1 26 LEU MD2 . . 5.500 3.330 2.164 4.511 . 0 0 "[ . 1 . 2]" 1
108 1 23 GLN HE22 1 27 ASP HA . . 5.500 4.529 3.797 5.494 . 0 0 "[ . 1 . 2]" 1
109 1 23 GLN QE 1 26 LEU HG . . 5.340 4.816 3.678 5.345 0.005 11 0 "[ . 1 . 2]" 1
110 1 23 GLN QE 1 27 ASP H . . 5.340 3.647 2.905 4.441 . 0 0 "[ . 1 . 2]" 1
111 1 23 GLN QG 1 24 LEU H . . 5.340 3.767 2.849 4.615 . 0 0 "[ . 1 . 2]" 1
112 1 23 GLN QG 1 24 LEU HA . . 5.340 3.974 3.052 5.385 0.045 20 0 "[ . 1 . 2]" 1
113 1 23 GLN QG 1 24 LEU MD2 . . 5.340 4.965 3.585 5.452 0.112 9 0 "[ . 1 . 2]" 1
114 1 23 GLN QG 1 27 ASP H . . 5.340 4.237 3.526 5.284 . 0 0 "[ . 1 . 2]" 1
115 1 23 GLN QG 1 27 ASP QB . . 5.180 3.473 2.423 5.039 . 0 0 "[ . 1 . 2]" 1
116 1 24 LEU H 1 24 LEU MD2 . . 5.500 3.100 1.885 3.600 . 0 0 "[ . 1 . 2]" 1
117 1 24 LEU HA 1 25 SER H . . 4.000 3.533 3.479 3.566 . 0 0 "[ . 1 . 2]" 1
118 1 24 LEU HA 1 27 ASP H . . 5.340 3.653 3.340 4.136 . 0 0 "[ . 1 . 2]" 1
119 1 24 LEU HA 1 27 ASP QB . . 5.500 2.566 2.120 3.118 . 0 0 "[ . 1 . 2]" 1
120 1 24 LEU HA 1 28 ILE QG . . 5.340 3.381 2.676 4.385 . 0 0 "[ . 1 . 2]" 1
121 1 24 LEU HA 1 74 GLU HA . . 5.500 4.775 3.970 5.338 . 0 0 "[ . 1 . 2]" 1
122 1 24 LEU HA 1 77 VAL MG1 . . 5.500 3.469 2.963 3.942 . 0 0 "[ . 1 . 2]" 1
123 1 24 LEU MD2 1 62 PHE HZ . . 4.800 3.929 1.900 5.177 0.377 18 0 "[ . 1 . 2]" 1
124 1 24 LEU MD2 1 74 GLU H . . 5.500 3.649 2.360 5.295 . 0 0 "[ . 1 . 2]" 1
125 1 24 LEU MD2 1 74 GLU HA . . 5.500 3.696 2.080 5.508 0.008 7 0 "[ . 1 . 2]" 1
126 1 24 LEU MD2 1 74 GLU QB . . 5.340 2.751 1.886 5.151 . 0 0 "[ . 1 . 2]" 1
127 1 24 LEU QB 1 28 ILE HB . . 5.340 4.719 4.036 5.398 0.058 16 0 "[ . 1 . 2]" 1
128 1 24 LEU QB 1 28 ILE MD . . 5.340 2.556 1.882 3.711 . 0 0 "[ . 1 . 2]" 1
129 1 24 LEU QB 1 28 ILE QG . . 5.180 3.633 2.980 4.458 . 0 0 "[ . 1 . 2]" 1
130 1 24 LEU QB 1 74 GLU HA . . 5.340 4.231 3.101 4.944 . 0 0 "[ . 1 . 2]" 1
131 1 24 LEU QB 1 77 VAL HB . . 5.340 5.159 4.641 5.420 0.080 4 0 "[ . 1 . 2]" 1
132 1 24 LEU QB 1 77 VAL MG1 . . 5.340 3.925 3.098 4.629 . 0 0 "[ . 1 . 2]" 1
133 1 25 SER H 1 26 LEU H . . 5.500 2.778 2.530 2.907 . 0 0 "[ . 1 . 2]" 1
134 1 25 SER H 1 27 ASP H . . 5.500 4.348 3.984 4.641 . 0 0 "[ . 1 . 2]" 1
135 1 25 SER H 1 28 ILE H . . 5.500 4.872 4.679 5.013 . 0 0 "[ . 1 . 2]" 1
136 1 25 SER HA 1 26 LEU H . . 4.000 3.548 3.521 3.567 . 0 0 "[ . 1 . 2]" 1
137 1 25 SER HA 1 27 ASP H . . 5.500 4.963 4.719 5.235 . 0 0 "[ . 1 . 2]" 1
138 1 25 SER HA 1 28 ILE H . . 5.500 4.254 3.841 4.520 . 0 0 "[ . 1 . 2]" 1
139 1 25 SER HA 1 28 ILE HB . . 5.500 3.390 2.976 3.780 . 0 0 "[ . 1 . 2]" 1
140 1 25 SER HA 1 28 ILE MD . . 5.500 3.423 2.634 3.860 . 0 0 "[ . 1 . 2]" 1
141 1 25 SER QB 1 28 ILE MD . . 5.340 4.755 4.145 5.166 . 0 0 "[ . 1 . 2]" 1
142 1 26 LEU H 1 26 LEU MD1 . . 5.500 4.279 4.197 4.358 . 0 0 "[ . 1 . 2]" 1
143 1 26 LEU H 1 26 LEU MD2 . . 5.500 4.106 3.969 4.182 . 0 0 "[ . 1 . 2]" 1
144 1 26 LEU H 1 26 LEU HG . . 5.500 4.381 4.276 4.440 . 0 0 "[ . 1 . 2]" 1
145 1 26 LEU H 1 27 ASP H . . 5.500 2.658 2.472 2.936 . 0 0 "[ . 1 . 2]" 1
146 1 26 LEU H 1 28 ILE H . . 5.500 4.390 4.234 4.571 . 0 0 "[ . 1 . 2]" 1
147 1 26 LEU HA 1 27 ASP H . . 4.000 3.560 3.534 3.571 . 0 0 "[ . 1 . 2]" 1
148 1 26 LEU HA 1 29 ASN H . . 5.500 3.522 3.373 3.763 . 0 0 "[ . 1 . 2]" 1
149 1 26 LEU HA 1 29 ASN QB . . 5.340 2.396 2.069 2.750 . 0 0 "[ . 1 . 2]" 1
150 1 26 LEU MD1 1 27 ASP HA . . 5.500 4.912 4.420 5.134 . 0 0 "[ . 1 . 2]" 1
151 1 26 LEU MD1 1 29 ASN QB . . 5.340 3.710 2.866 4.465 . 0 0 "[ . 1 . 2]" 1
152 1 26 LEU QD 1 30 LYS H . . 5.500 4.374 3.824 4.682 . 0 0 "[ . 1 . 2]" 1
153 1 26 LEU QD 1 30 LYS QB . . 5.340 3.632 3.129 3.910 . 0 0 "[ . 1 . 2]" 1
154 1 26 LEU MD2 1 27 ASP H . . 5.500 3.355 2.538 4.065 . 0 0 "[ . 1 . 2]" 1
155 1 26 LEU MD2 1 27 ASP HA . . 5.500 3.715 2.876 4.357 . 0 0 "[ . 1 . 2]" 1
156 1 26 LEU HG 1 27 ASP HA . . 5.500 3.533 3.211 3.700 . 0 0 "[ . 1 . 2]" 1
157 1 26 LEU HG 1 29 ASN QB . . 5.340 4.134 3.823 4.578 . 0 0 "[ . 1 . 2]" 1
158 1 26 LEU HG 1 30 LYS H . . 5.500 4.215 4.024 4.925 . 0 0 "[ . 1 . 2]" 1
159 1 26 LEU HG 1 30 LYS HA . . 5.500 5.606 5.554 5.652 0.152 2 0 "[ . 1 . 2]" 1
160 1 27 ASP H 1 28 ILE H . . 5.500 3.000 2.913 3.058 . 0 0 "[ . 1 . 2]" 1
161 1 27 ASP H 1 29 ASN H . . 5.500 4.072 3.977 4.279 . 0 0 "[ . 1 . 2]" 1
162 1 27 ASP HA 1 28 ILE H . . 4.000 3.569 3.562 3.571 . 0 0 "[ . 1 . 2]" 1
163 1 27 ASP HA 1 30 LYS H . . 5.340 3.521 3.287 3.741 . 0 0 "[ . 1 . 2]" 1
164 1 27 ASP HA 1 30 LYS QB . . 5.500 2.933 2.615 3.365 . 0 0 "[ . 1 . 2]" 1
165 1 27 ASP HA 1 77 VAL MG2 . . 5.500 4.191 3.365 5.056 . 0 0 "[ . 1 . 2]" 1
166 1 27 ASP QB 1 77 VAL MG2 . . 5.340 2.306 1.760 3.401 . 0 0 "[ . 1 . 2]" 1
167 1 28 ILE H 1 28 ILE MD . . 5.500 3.339 2.699 3.688 . 0 0 "[ . 1 . 2]" 1
168 1 28 ILE H 1 29 ASN H . . 5.500 2.738 2.575 2.867 . 0 0 "[ . 1 . 2]" 1
169 1 28 ILE H 1 77 VAL MG2 . . 5.500 3.192 2.668 3.526 . 0 0 "[ . 1 . 2]" 1
170 1 28 ILE HA 1 29 ASN H . . 4.000 3.518 3.475 3.556 . 0 0 "[ . 1 . 2]" 1
171 1 28 ILE HA 1 30 LYS H . . 5.500 4.277 3.659 4.418 . 0 0 "[ . 1 . 2]" 1
172 1 28 ILE HA 1 31 LEU H . . 5.500 3.369 3.220 3.552 . 0 0 "[ . 1 . 2]" 1
173 1 28 ILE HA 1 31 LEU MD1 . . 5.500 3.137 1.962 4.995 . 0 0 "[ . 1 . 2]" 1
174 1 28 ILE HA 1 31 LEU MD2 . . 5.500 2.998 1.929 4.552 . 0 0 "[ . 1 . 2]" 1
175 1 28 ILE HA 1 31 LEU HG . . 5.500 3.933 1.987 4.985 . 0 0 "[ . 1 . 2]" 1
176 1 28 ILE HA 1 31 LEU QB . . 5.340 2.605 2.099 3.965 . 0 0 "[ . 1 . 2]" 1
177 1 28 ILE HA 1 77 VAL MG1 . . 5.500 4.986 4.391 5.471 . 0 0 "[ . 1 . 2]" 1
178 1 28 ILE HA 1 77 VAL MG2 . . 5.500 2.668 2.152 3.033 . 0 0 "[ . 1 . 2]" 1
179 1 28 ILE HB 1 29 ASN H . . 5.500 2.752 2.504 2.967 . 0 0 "[ . 1 . 2]" 1
180 1 28 ILE HB 1 77 VAL HB . . 5.500 5.549 5.505 5.635 0.135 15 0 "[ . 1 . 2]" 1
181 1 28 ILE MD 1 73 LEU HB3 . . 5.500 2.538 1.972 3.360 . 0 0 "[ . 1 . 2]" 1
182 1 28 ILE MD 1 74 GLU HA . . 5.500 4.321 3.713 4.909 . 0 0 "[ . 1 . 2]" 1
183 1 28 ILE MD 1 29 ASN H . . 5.500 4.562 4.260 4.867 . 0 0 "[ . 1 . 2]" 1
184 1 28 ILE MD 1 39 VAL HA . . 5.500 4.920 4.520 5.518 0.018 4 0 "[ . 1 . 2]" 1
185 1 28 ILE MD 1 39 VAL HB . . 5.500 3.712 2.803 4.647 . 0 0 "[ . 1 . 2]" 1
186 1 28 ILE MD 1 39 VAL MG1 . . 5.500 1.974 1.733 2.362 . 0 0 "[ . 1 . 2]" 1
187 1 28 ILE MG 1 73 LEU HB3 . . 5.500 4.773 4.075 5.484 . 0 0 "[ . 1 . 2]" 1
188 1 28 ILE MG 1 29 ASN H . . 5.500 3.455 3.143 3.594 . 0 0 "[ . 1 . 2]" 1
189 1 28 ILE MG 1 31 LEU H . . 5.500 4.369 4.117 4.656 . 0 0 "[ . 1 . 2]" 1
190 1 28 ILE MG 1 31 LEU QB . . 5.340 3.354 3.080 4.811 . 0 0 "[ . 1 . 2]" 1
191 1 28 ILE MG 1 39 VAL MG1 . . 5.500 2.548 1.869 3.206 . 0 0 "[ . 1 . 2]" 1
192 1 28 ILE MG 1 29 ASN HA . . 5.500 3.452 3.160 3.646 . 0 0 "[ . 1 . 2]" 1
193 1 28 ILE QG 1 39 VAL MG1 . . 5.340 2.936 2.176 3.538 . 0 0 "[ . 1 . 2]" 1
194 1 28 ILE QG 1 73 LEU HB3 . . 5.340 4.047 3.303 5.037 . 0 0 "[ . 1 . 2]" 1
195 1 28 ILE QG 1 77 VAL HB . . 5.340 2.680 2.516 2.835 . 0 0 "[ . 1 . 2]" 1
196 1 29 ASN H 1 29 ASN QD . . 5.340 4.305 2.433 4.611 . 0 0 "[ . 1 . 2]" 1
197 1 29 ASN H 1 31 LEU H . . 5.500 3.965 3.860 4.165 . 0 0 "[ . 1 . 2]" 1
198 1 29 ASN QB 1 30 LYS HA . . 5.340 4.287 3.852 4.470 . 0 0 "[ . 1 . 2]" 1
199 1 29 ASN QB 1 31 LEU H . . 5.340 4.677 4.519 5.097 . 0 0 "[ . 1 . 2]" 1
200 1 30 LYS H 1 31 LEU H . . 5.500 2.479 2.106 2.539 . 0 0 "[ . 1 . 2]" 1
201 1 30 LYS H 1 31 LEU MD2 . . 5.500 5.036 3.547 5.531 0.031 18 0 "[ . 1 . 2]" 1
202 1 31 LEU H 1 31 LEU MD2 . . 5.500 3.453 2.184 3.899 . 0 0 "[ . 1 . 2]" 1
203 1 31 LEU H 1 31 LEU HG . . 5.500 3.571 1.844 4.287 . 0 0 "[ . 1 . 2]" 1
204 1 31 LEU HA 1 35 LYS QB . . 5.340 4.085 3.724 4.459 . 0 0 "[ . 1 . 2]" 1
205 1 31 LEU MD1 1 32 PRO QG . . 5.350 4.484 3.261 5.109 . 0 0 "[ . 1 . 2]" 1
206 1 31 LEU MD1 1 35 LYS QB . . 5.340 3.199 1.915 4.198 . 0 0 "[ . 1 . 2]" 1
207 1 31 LEU MD1 1 32 PRO QD . . 5.350 3.074 1.835 3.653 . 0 0 "[ . 1 . 2]" 1
208 1 31 LEU MD1 1 77 VAL HA . . 5.500 4.056 2.196 5.517 0.017 12 0 "[ . 1 . 2]" 1
209 1 31 LEU MD1 1 80 CYS QB . . 5.340 3.862 2.637 5.213 . 0 0 "[ . 1 . 2]" 1
210 1 31 LEU MD2 1 77 VAL HA . . 5.500 3.426 1.962 4.875 . 0 0 "[ . 1 . 2]" 1
211 1 31 LEU HG 1 32 PRO QD . . 5.350 3.003 1.966 4.510 . 0 0 "[ . 1 . 2]" 1
212 1 31 LEU HG 1 81 LEU MD1 . . 5.500 4.467 2.475 5.556 0.056 19 0 "[ . 1 . 2]" 1
213 1 31 LEU HG 1 81 LEU MD2 . . 5.500 3.885 2.799 5.504 0.004 6 0 "[ . 1 . 2]" 1
214 1 32 PRO HA 1 35 LYS QB . . 5.340 4.582 4.232 5.057 . 0 0 "[ . 1 . 2]" 1
215 1 32 PRO HB2 1 34 GLU HA . . 5.500 5.271 5.118 5.464 . 0 0 "[ . 1 . 2]" 1
216 1 32 PRO HB2 1 34 GLU QG . . 5.340 5.041 2.248 5.319 . 0 0 "[ . 1 . 2]" 1
217 1 32 PRO HB2 1 35 LYS QB . . 5.340 4.200 3.664 4.982 . 0 0 "[ . 1 . 2]" 1
218 1 32 PRO HB2 1 35 LYS QG . . 5.340 4.627 3.954 5.425 0.085 14 0 "[ . 1 . 2]" 1
219 1 32 PRO QD 1 35 LYS H . . 5.350 3.838 3.650 3.891 . 0 0 "[ . 1 . 2]" 1
220 1 32 PRO QD 1 35 LYS QB . . 5.180 2.456 2.025 3.151 . 0 0 "[ . 1 . 2]" 1
221 1 32 PRO QD 1 35 LYS QG . . 5.180 2.296 1.928 3.459 . 0 0 "[ . 1 . 2]" 1
222 1 33 GLY QA 1 34 GLU HA . . 5.340 4.042 4.017 4.065 . 0 0 "[ . 1 . 2]" 1
223 1 33 GLY QA 1 34 GLU QB . . 5.180 4.284 4.217 4.458 . 0 0 "[ . 1 . 2]" 1
224 1 33 GLY QA 1 36 LEU QB . . 4.000 2.591 2.307 2.908 . 0 0 "[ . 1 . 2]" 1
225 1 34 GLU QB 1 35 LYS QG . . 5.180 3.986 3.112 5.178 . 0 0 "[ . 1 . 2]" 1
226 1 34 GLU QG 1 35 LYS H . . 5.340 3.554 2.120 3.898 . 0 0 "[ . 1 . 2]" 1
227 1 34 GLU QG 1 35 LYS HA . . 5.340 3.641 3.245 4.046 . 0 0 "[ . 1 . 2]" 1
228 1 34 GLU QG 1 35 LYS QB . . 5.180 4.703 3.036 5.121 . 0 0 "[ . 1 . 2]" 1
229 1 34 GLU QG 1 35 LYS QG . . 5.180 4.101 3.414 4.847 . 0 0 "[ . 1 . 2]" 1
230 1 34 GLU QG 1 38 ARG QB . . 5.180 4.493 4.032 5.209 0.029 17 0 "[ . 1 . 2]" 1
231 1 34 GLU QG 1 38 ARG QD . . 5.180 3.012 2.453 4.618 . 0 0 "[ . 1 . 2]" 1
232 1 35 LYS H 1 38 ARG QD . . 5.340 5.038 4.547 5.344 0.004 17 0 "[ . 1 . 2]" 1
233 1 35 LYS HA 1 38 ARG QB . . 4.000 3.048 2.676 3.469 . 0 0 "[ . 1 . 2]" 1
234 1 35 LYS HA 1 38 ARG QD . . 5.340 3.215 2.628 3.682 . 0 0 "[ . 1 . 2]" 1
235 1 35 LYS QG 1 38 ARG QD . . 5.180 4.651 4.003 5.133 . 0 0 "[ . 1 . 2]" 1
236 1 36 LEU H 1 36 LEU MD2 . . 5.500 4.343 4.184 4.456 . 0 0 "[ . 1 . 2]" 1
237 1 36 LEU H 1 37 GLY H . . 5.500 2.793 2.616 2.979 . 0 0 "[ . 1 . 2]" 1
238 1 36 LEU HA 1 37 GLY QA . . 5.340 4.523 4.512 4.538 . 0 0 "[ . 1 . 2]" 1
239 1 36 LEU HA 1 39 VAL H . . 5.500 3.351 3.234 3.500 . 0 0 "[ . 1 . 2]" 1
240 1 36 LEU HA 1 39 VAL HB . . 5.500 2.776 2.492 2.923 . 0 0 "[ . 1 . 2]" 1
241 1 36 LEU HA 1 39 VAL MG2 . . 5.500 2.815 2.121 3.526 . 0 0 "[ . 1 . 2]" 1
242 1 36 LEU MD1 1 39 VAL HB . . 5.500 4.791 4.254 5.445 . 0 0 "[ . 1 . 2]" 1
243 1 36 LEU MD1 1 39 VAL MG2 . . 5.500 4.719 4.130 5.357 . 0 0 "[ . 1 . 2]" 1
244 1 36 LEU MD1 1 40 VAL H . . 5.500 5.223 4.740 5.617 0.117 13 0 "[ . 1 . 2]" 1
245 1 36 LEU MD1 1 40 VAL MG1 . . 5.500 4.412 3.220 5.332 . 0 0 "[ . 1 . 2]" 1
246 1 36 LEU MD2 1 37 GLY H . . 5.500 3.623 3.226 4.148 . 0 0 "[ . 1 . 2]" 1
247 1 36 LEU MD2 1 40 VAL H . . 5.500 3.951 3.005 4.216 . 0 0 "[ . 1 . 2]" 1
248 1 36 LEU MD2 1 39 VAL H . . 5.500 5.346 4.229 5.692 0.192 12 0 "[ . 1 . 2]" 1
249 1 36 LEU MD2 1 39 VAL HB . . 5.500 4.541 2.771 5.068 . 0 0 "[ . 1 . 2]" 1
250 1 36 LEU MD2 1 39 VAL MG2 . . 5.500 5.112 3.559 5.541 0.041 9 0 "[ . 1 . 2]" 1
251 1 36 LEU MD2 1 40 VAL HA . . 5.500 4.784 4.175 5.253 . 0 0 "[ . 1 . 2]" 1
252 1 36 LEU QB 1 39 VAL H . . 5.340 4.909 4.803 5.015 . 0 0 "[ . 1 . 2]" 1
253 1 36 LEU QB 1 40 VAL HB . . 5.340 5.368 5.050 5.453 0.113 12 0 "[ . 1 . 2]" 1
254 1 37 GLY QA 1 40 VAL H . . 5.340 3.951 3.802 4.229 . 0 0 "[ . 1 . 2]" 1
255 1 37 GLY QA 1 40 VAL HB . . 5.340 4.038 3.005 5.013 . 0 0 "[ . 1 . 2]" 1
256 1 37 GLY QA 1 41 HIS H . . 5.340 4.052 3.832 4.335 . 0 0 "[ . 1 . 2]" 1
257 1 38 ARG H 1 38 ARG QD . . 5.340 3.354 2.669 3.838 . 0 0 "[ . 1 . 2]" 1
258 1 38 ARG H 1 39 VAL H . . 5.500 2.611 2.524 2.726 . 0 0 "[ . 1 . 2]" 1
259 1 38 ARG HA 1 39 VAL H . . 4.000 3.547 3.510 3.567 . 0 0 "[ . 1 . 2]" 1
260 1 38 ARG HA 1 39 VAL MG2 . . 5.500 4.899 4.797 5.054 . 0 0 "[ . 1 . 2]" 1
261 1 38 ARG HA 1 41 HIS H . . 5.500 3.769 3.595 3.947 . 0 0 "[ . 1 . 2]" 1
262 1 38 ARG HA 1 41 HIS QB . . 5.340 2.774 2.469 2.985 . 0 0 "[ . 1 . 2]" 1
263 1 38 ARG HA 1 42 ILE MD . . 5.500 5.084 4.865 5.296 . 0 0 "[ . 1 . 2]" 1
264 1 38 ARG HA 1 42 ILE HG13 . . 5.500 4.761 4.696 4.939 . 0 0 "[ . 1 . 2]" 1
265 1 38 ARG QB 1 39 VAL MG2 . . 5.340 3.109 2.929 3.320 . 0 0 "[ . 1 . 2]" 1
266 1 38 ARG QD 1 39 VAL MG2 . . 5.340 4.741 4.353 5.233 . 0 0 "[ . 1 . 2]" 1
267 1 38 ARG QG 1 39 VAL MG2 . . 5.340 4.894 4.677 5.123 . 0 0 "[ . 1 . 2]" 1
268 1 38 ARG QG 1 42 ILE MD . . 5.340 4.843 4.446 5.334 . 0 0 "[ . 1 . 2]" 1
269 1 39 VAL H 1 41 HIS H . . 5.500 3.940 3.835 4.043 . 0 0 "[ . 1 . 2]" 1
270 1 39 VAL H 1 42 ILE H . . 5.500 4.932 4.867 5.058 . 0 0 "[ . 1 . 2]" 1
271 1 39 VAL H 1 42 ILE MD . . 5.500 4.642 4.395 5.078 . 0 0 "[ . 1 . 2]" 1
272 1 39 VAL H 1 42 ILE HG13 . . 5.500 4.382 4.265 4.757 . 0 0 "[ . 1 . 2]" 1
273 1 39 VAL H 1 76 TYR QB . . 5.340 5.124 4.484 5.373 0.033 2 0 "[ . 1 . 2]" 1
274 1 39 VAL HA 1 40 VAL H . . 4.000 3.570 3.566 3.571 . 0 0 "[ . 1 . 2]" 1
275 1 39 VAL HA 1 42 ILE H . . 5.500 3.408 3.241 3.632 . 0 0 "[ . 1 . 2]" 1
276 1 39 VAL HA 1 42 ILE HB . . 5.500 3.648 3.383 3.927 . 0 0 "[ . 1 . 2]" 1
277 1 39 VAL HA 1 42 ILE MD . . 5.500 2.659 2.370 3.163 . 0 0 "[ . 1 . 2]" 1
278 1 39 VAL HA 1 42 ILE HG13 . . 5.500 2.158 1.970 2.736 . 0 0 "[ . 1 . 2]" 1
279 1 39 VAL HA 1 42 ILE MG . . 5.500 4.545 4.299 4.961 . 0 0 "[ . 1 . 2]" 1
280 1 39 VAL HA 1 73 LEU HB3 . . 5.500 4.444 4.190 4.828 . 0 0 "[ . 1 . 2]" 1
281 1 39 VAL HA 1 73 LEU MD1 . . 5.500 4.267 2.126 5.214 . 0 0 "[ . 1 . 2]" 1
282 1 39 VAL HA 1 76 TYR QB . . 5.340 4.097 3.531 4.524 . 0 0 "[ . 1 . 2]" 1
283 1 39 VAL HB 1 40 VAL H . . 5.500 2.217 2.060 2.332 . 0 0 "[ . 1 . 2]" 1
284 1 39 VAL HB 1 41 HIS H . . 5.500 4.648 4.523 4.741 . 0 0 "[ . 1 . 2]" 1
285 1 39 VAL HB 1 42 ILE HG13 . . 5.500 4.956 4.752 5.473 . 0 0 "[ . 1 . 2]" 1
286 1 39 VAL MG1 1 40 VAL H . . 5.500 3.182 2.978 3.353 . 0 0 "[ . 1 . 2]" 1
287 1 39 VAL MG1 1 40 VAL HA . . 5.500 3.430 3.184 3.631 . 0 0 "[ . 1 . 2]" 1
288 1 39 VAL MG1 1 40 VAL MG1 . . 5.500 4.159 3.249 4.941 . 0 0 "[ . 1 . 2]" 1
289 1 39 VAL MG1 1 42 ILE HG13 . . 5.500 3.619 3.333 4.152 . 0 0 "[ . 1 . 2]" 1
290 1 39 VAL MG1 1 43 ILE MD . . 5.500 2.375 1.934 3.060 . 0 0 "[ . 1 . 2]" 1
291 1 39 VAL MG1 1 73 LEU HA . . 5.500 3.123 2.459 3.574 . 0 0 "[ . 1 . 2]" 1
292 1 39 VAL MG2 1 42 ILE MD . . 5.500 3.567 3.166 4.270 . 0 0 "[ . 1 . 2]" 1
293 1 40 VAL H 1 41 HIS H . . 5.500 2.800 2.775 2.835 . 0 0 "[ . 1 . 2]" 1
294 1 40 VAL H 1 42 ILE H . . 5.500 4.355 4.201 4.571 . 0 0 "[ . 1 . 2]" 1
295 1 40 VAL H 1 43 ILE MD . . 5.500 4.167 3.717 4.913 . 0 0 "[ . 1 . 2]" 1
296 1 40 VAL HA 1 41 HIS H . . 4.000 3.500 3.484 3.511 . 0 0 "[ . 1 . 2]" 1
297 1 40 VAL HA 1 43 ILE H . . 5.500 3.587 3.238 3.827 . 0 0 "[ . 1 . 2]" 1
298 1 40 VAL HA 1 43 ILE HB . . 5.500 3.145 2.754 3.473 . 0 0 "[ . 1 . 2]" 1
299 1 40 VAL HA 1 43 ILE MD . . 5.500 2.489 1.937 3.242 . 0 0 "[ . 1 . 2]" 1
300 1 40 VAL HA 1 43 ILE MG . . 5.500 4.466 4.168 4.831 . 0 0 "[ . 1 . 2]" 1
301 1 40 VAL HA 1 44 GLN H . . 5.500 4.224 3.721 4.760 . 0 0 "[ . 1 . 2]" 1
302 1 40 VAL HA 1 58 ILE MD . . 5.500 3.266 2.788 3.935 . 0 0 "[ . 1 . 2]" 1
303 1 40 VAL HB 1 41 HIS H . . 5.500 3.582 2.758 4.120 . 0 0 "[ . 1 . 2]" 1
304 1 40 VAL HB 1 58 ILE QG . . 5.340 5.010 4.283 5.503 0.163 1 0 "[ . 1 . 2]" 1
305 1 40 VAL MG1 1 58 ILE MD . . 5.500 3.332 1.825 4.326 . 0 0 "[ . 1 . 2]" 1
306 1 40 VAL MG1 1 41 HIS H . . 5.500 3.412 1.941 3.858 . 0 0 "[ . 1 . 2]" 1
307 1 40 VAL MG2 1 41 HIS H . . 5.500 3.004 1.940 3.842 . 0 0 "[ . 1 . 2]" 1
308 1 40 VAL MG2 1 41 HIS HA . . 5.500 4.036 3.067 5.396 . 0 0 "[ . 1 . 2]" 1
309 1 40 VAL MG2 1 44 GLN HE21 . . 5.500 3.170 1.875 4.694 . 0 0 "[ . 1 . 2]" 1
310 1 40 VAL MG2 1 44 GLN HE22 . . 5.500 3.761 2.223 5.514 0.014 14 0 "[ . 1 . 2]" 1
311 1 40 VAL MG2 1 44 GLN QG . . 5.340 4.261 2.371 5.575 0.235 15 0 "[ . 1 . 2]" 1
312 1 40 VAL MG2 1 58 ILE HB . . 5.500 3.985 2.208 5.003 . 0 0 "[ . 1 . 2]" 1
313 1 40 VAL MG2 1 58 ILE QG . . 5.340 4.418 2.765 5.353 0.013 19 0 "[ . 1 . 2]" 1
314 1 40 VAL MG2 1 44 GLN QB . . 5.340 4.754 2.982 5.540 0.200 19 0 "[ . 1 . 2]" 1
315 1 41 HIS H 1 42 ILE H . . 5.500 2.628 2.547 2.811 . 0 0 "[ . 1 . 2]" 1
316 1 41 HIS H 1 42 ILE HG13 . . 5.500 3.882 3.767 4.123 . 0 0 "[ . 1 . 2]" 1
317 1 41 HIS H 1 44 GLN H . . 5.500 4.999 4.575 5.331 . 0 0 "[ . 1 . 2]" 1
318 1 41 HIS H 1 44 GLN QG . . 5.340 4.414 4.071 5.383 0.043 1 0 "[ . 1 . 2]" 1
319 1 41 HIS HA 1 42 ILE H . . 4.000 3.522 3.481 3.554 . 0 0 "[ . 1 . 2]" 1
320 1 41 HIS HA 1 42 ILE HG13 . . 5.500 5.409 5.321 5.531 0.031 4 0 "[ . 1 . 2]" 1
321 1 41 HIS HA 1 44 GLN H . . 5.500 3.744 3.323 4.102 . 0 0 "[ . 1 . 2]" 1
322 1 41 HIS HA 1 44 GLN HE22 . . 5.500 3.340 2.880 3.818 . 0 0 "[ . 1 . 2]" 1
323 1 41 HIS HA 1 44 GLN QB . . 5.340 3.636 1.954 4.223 . 0 0 "[ . 1 . 2]" 1
324 1 41 HIS HA 1 44 GLN QG . . 5.340 2.400 1.860 3.948 . 0 0 "[ . 1 . 2]" 1
325 1 41 HIS QB 1 42 ILE MD . . 5.340 4.618 4.389 4.763 . 0 0 "[ . 1 . 2]" 1
326 1 41 HIS QB 1 42 ILE HG13 . . 5.340 3.699 3.532 3.834 . 0 0 "[ . 1 . 2]" 1
327 1 41 HIS QB 1 45 SER QB . . 5.180 4.635 3.749 5.200 0.020 11 0 "[ . 1 . 2]" 1
328 1 42 ILE H 1 42 ILE HG13 . . 5.500 1.965 1.910 2.151 . 0 0 "[ . 1 . 2]" 1
329 1 42 ILE H 1 43 ILE H . . 5.500 2.752 2.459 3.015 . 0 0 "[ . 1 . 2]" 1
330 1 42 ILE H 1 43 ILE MD . . 5.500 4.217 3.301 5.506 0.006 13 0 "[ . 1 . 2]" 1
331 1 42 ILE HA 1 43 ILE H . . 4.000 3.549 3.498 3.571 . 0 0 "[ . 1 . 2]" 1
332 1 42 ILE HA 1 45 SER QB . . 4.000 2.644 2.172 3.954 . 0 0 "[ . 1 . 2]" 1
333 1 42 ILE HA 1 45 SER H . . 5.000 3.600 3.415 3.878 . 0 0 "[ . 1 . 2]" 1
334 1 42 ILE HB 1 43 ILE H . . 5.500 2.427 2.105 2.831 . 0 0 "[ . 1 . 2]" 1
335 1 42 ILE HB 1 44 GLN H . . 5.500 5.076 4.437 5.521 0.021 16 0 "[ . 1 . 2]" 1
336 1 42 ILE HB 1 45 SER H . . 5.500 5.279 5.004 5.575 0.075 19 0 "[ . 1 . 2]" 1
337 1 42 ILE HB 1 69 THR HA . . 5.500 5.584 5.515 5.658 0.158 12 0 "[ . 1 . 2]" 1
338 1 42 ILE HB 1 69 THR MG . . 5.500 3.586 3.397 3.744 . 0 0 "[ . 1 . 2]" 1
339 1 42 ILE HB 1 73 LEU MD1 . . 5.500 3.549 1.835 4.369 . 0 0 "[ . 1 . 2]" 1
340 1 42 ILE MD 1 72 GLU HA . . 5.500 4.626 4.145 4.945 . 0 0 "[ . 1 . 2]" 1
341 1 42 ILE MD 1 73 LEU HA . . 5.500 2.765 2.359 3.128 . 0 0 "[ . 1 . 2]" 1
342 1 42 ILE MD 1 73 LEU HB3 . . 5.500 4.246 3.843 4.696 . 0 0 "[ . 1 . 2]" 1
343 1 42 ILE MD 1 73 LEU MD1 . . 5.500 3.909 1.862 4.887 . 0 0 "[ . 1 . 2]" 1
344 1 42 ILE MD 1 76 TYR H . . 5.500 4.365 3.972 4.756 . 0 0 "[ . 1 . 2]" 1
345 1 42 ILE MD 1 76 TYR HA . . 5.500 5.009 4.620 5.461 . 0 0 "[ . 1 . 2]" 1
346 1 42 ILE MD 1 76 TYR QB . . 5.340 2.931 2.591 3.329 . 0 0 "[ . 1 . 2]" 1
347 1 42 ILE HG13 1 73 LEU HB3 . . 5.500 5.592 5.546 5.739 0.239 4 0 "[ . 1 . 2]" 1
348 1 42 ILE HG13 1 73 LEU MD1 . . 5.500 4.709 2.230 5.551 0.051 3 0 "[ . 1 . 2]" 1
349 1 42 ILE HG13 1 76 TYR QB . . 5.340 4.889 4.341 5.351 0.011 11 0 "[ . 1 . 2]" 1
350 1 42 ILE MG 1 69 THR HA . . 5.500 3.672 3.458 3.957 . 0 0 "[ . 1 . 2]" 1
351 1 42 ILE MG 1 69 THR HB . . 5.500 5.277 4.891 5.530 0.030 20 0 "[ . 1 . 2]" 1
352 1 42 ILE MG 1 72 GLU H . . 5.500 4.888 4.440 5.467 . 0 0 "[ . 1 . 2]" 1
353 1 42 ILE MG 1 72 GLU HA . . 5.500 4.519 4.151 5.085 . 0 0 "[ . 1 . 2]" 1
354 1 42 ILE MG 1 73 LEU HA . . 5.500 4.081 3.544 4.585 . 0 0 "[ . 1 . 2]" 1
355 1 42 ILE MG 1 73 LEU HB3 . . 5.500 5.261 4.856 5.659 0.159 20 0 "[ . 1 . 2]" 1
356 1 42 ILE MG 1 73 LEU MD1 . . 5.500 3.911 2.136 4.843 . 0 0 "[ . 1 . 2]" 1
357 1 42 ILE MG 1 43 ILE H . . 5.500 3.634 3.441 3.971 . 0 0 "[ . 1 . 2]" 1
358 1 42 ILE MG 1 45 SER H . . 5.500 4.579 4.405 4.844 . 0 0 "[ . 1 . 2]" 1
359 1 42 ILE MG 1 69 THR MG . . 5.500 2.758 2.409 3.025 . 0 0 "[ . 1 . 2]" 1
360 1 43 ILE H 1 43 ILE MD . . 5.500 2.587 1.922 3.706 . 0 0 "[ . 1 . 2]" 1
361 1 43 ILE H 1 44 GLN H . . 5.500 2.817 2.508 3.103 . 0 0 "[ . 1 . 2]" 1
362 1 43 ILE H 1 44 GLN HE21 . . 5.500 5.460 5.156 5.536 0.036 15 0 "[ . 1 . 2]" 1
363 1 43 ILE H 1 44 GLN QG . . 5.340 4.226 3.646 5.358 0.018 19 0 "[ . 1 . 2]" 1
364 1 43 ILE H 1 45 SER H . . 5.500 3.908 3.650 4.412 . 0 0 "[ . 1 . 2]" 1
365 1 43 ILE H 1 73 LEU MD1 . . 5.500 3.909 2.455 4.594 . 0 0 "[ . 1 . 2]" 1
366 1 43 ILE HA 1 44 GLN H . . 4.000 3.544 3.450 3.572 . 0 0 "[ . 1 . 2]" 1
367 1 43 ILE HA 1 46 ARG H . . 5.500 3.396 3.012 3.771 . 0 0 "[ . 1 . 2]" 1
368 1 43 ILE HA 1 46 ARG QB . . 4.000 3.147 2.019 4.062 0.062 2 0 "[ . 1 . 2]" 1
369 1 43 ILE HA 1 47 GLU H . . 5.500 3.960 3.199 4.751 . 0 0 "[ . 1 . 2]" 1
370 1 43 ILE HA 1 47 GLU HB2 . . 5.500 3.886 3.650 4.359 . 0 0 "[ . 1 . 2]" 1
371 1 43 ILE HA 1 65 LEU MD1 . . 5.500 4.330 3.049 5.547 0.047 6 0 "[ . 1 . 2]" 1
372 1 43 ILE HA 1 69 THR MG . . 5.500 2.090 1.874 2.477 . 0 0 "[ . 1 . 2]" 1
373 1 43 ILE HA 1 73 LEU MD1 . . 5.500 4.168 3.352 4.920 . 0 0 "[ . 1 . 2]" 1
374 1 43 ILE HB 1 44 GLN H . . 5.500 2.465 2.075 3.035 . 0 0 "[ . 1 . 2]" 1
375 1 43 ILE HB 1 44 GLN QG . . 5.340 4.115 3.552 4.790 . 0 0 "[ . 1 . 2]" 1
376 1 43 ILE HB 1 60 ILE MD . . 5.500 3.130 2.179 4.072 . 0 0 "[ . 1 . 2]" 1
377 1 43 ILE MD 1 60 ILE QG . . 5.500 2.968 1.906 3.865 . 0 0 "[ . 1 . 2]" 1
378 1 43 ILE MD 1 69 THR HB . . 5.500 5.550 5.176 5.652 0.152 3 0 "[ . 1 . 2]" 1
379 1 43 ILE MD 1 69 THR MG . . 5.500 3.429 3.143 3.887 . 0 0 "[ . 1 . 2]" 1
380 1 43 ILE MD 1 70 LEU HA . . 5.500 4.966 4.012 5.496 . 0 0 "[ . 1 . 2]" 1
381 1 43 ILE MG 1 46 ARG H . . 5.500 4.444 4.206 4.828 . 0 0 "[ . 1 . 2]" 1
382 1 43 ILE MG 1 47 GLU H . . 5.500 3.834 3.049 4.312 . 0 0 "[ . 1 . 2]" 1
383 1 43 ILE MG 1 47 GLU HA . . 5.500 4.376 3.770 4.994 . 0 0 "[ . 1 . 2]" 1
384 1 43 ILE MG 1 47 GLU HB2 . . 5.500 2.381 1.971 2.987 . 0 0 "[ . 1 . 2]" 1
385 1 43 ILE MG 1 65 LEU HA . . 5.500 5.332 4.833 5.596 0.096 5 0 "[ . 1 . 2]" 1
386 1 43 ILE MG 1 60 ILE HA . . 5.500 2.917 2.546 3.262 . 0 0 "[ . 1 . 2]" 1
387 1 43 ILE MG 1 60 ILE HB . . 5.500 4.244 3.786 4.700 . 0 0 "[ . 1 . 2]" 1
388 1 43 ILE MG 1 44 GLN HA . . 5.500 3.305 2.853 3.742 . 0 0 "[ . 1 . 2]" 1
389 1 43 ILE MG 1 44 GLN QG . . 5.340 4.444 3.877 5.131 . 0 0 "[ . 1 . 2]" 1
390 1 43 ILE QG 1 69 THR HB . . 5.340 4.362 3.886 4.902 . 0 0 "[ . 1 . 2]" 1
391 1 43 ILE QG 1 69 THR MG . . 5.340 2.315 1.955 2.708 . 0 0 "[ . 1 . 2]" 1
392 1 43 ILE QG 1 70 LEU MD1 . . 5.340 4.871 3.612 5.413 0.073 9 0 "[ . 1 . 2]" 1
393 1 44 GLN H 1 44 GLN HE22 . . 5.500 5.255 4.922 5.498 . 0 0 "[ . 1 . 2]" 1
394 1 44 GLN H 1 45 SER H . . 5.500 2.647 2.481 2.775 . 0 0 "[ . 1 . 2]" 1
395 1 44 GLN H 1 58 ILE MD . . 5.500 2.588 1.877 3.325 . 0 0 "[ . 1 . 2]" 1
396 1 44 GLN HA 1 44 GLN HE21 . . 5.500 4.909 4.376 5.532 0.032 16 0 "[ . 1 . 2]" 1
397 1 44 GLN HA 1 45 SER H . . 4.000 3.442 3.379 3.528 . 0 0 "[ . 1 . 2]" 1
398 1 44 GLN HA 1 47 GLU H . . 5.000 3.566 3.053 4.076 . 0 0 "[ . 1 . 2]" 1
399 1 44 GLN HA 1 50 LEU MD1 . . 5.500 3.185 1.904 4.428 . 0 0 "[ . 1 . 2]" 1
400 1 44 GLN HA 1 50 LEU MD2 . . 5.500 3.687 2.579 5.305 . 0 0 "[ . 1 . 2]" 1
401 1 44 GLN HA 1 50 LEU QB . . 5.340 3.027 2.175 3.665 . 0 0 "[ . 1 . 2]" 1
402 1 44 GLN HA 1 58 ILE MD . . 5.500 2.757 1.945 3.661 . 0 0 "[ . 1 . 2]" 1
403 1 44 GLN HE21 1 45 SER H . . 5.500 5.324 5.026 5.533 0.033 12 0 "[ . 1 . 2]" 1
404 1 44 GLN HE21 1 50 LEU MD1 . . 5.500 4.901 4.036 5.509 0.009 9 0 "[ . 1 . 2]" 1
405 1 44 GLN HE21 1 58 ILE MD . . 5.500 2.822 1.901 4.254 . 0 0 "[ . 1 . 2]" 1
406 1 44 GLN HE22 1 50 LEU MD1 . . 5.500 5.270 4.502 5.537 0.037 8 0 "[ . 1 . 2]" 1
407 1 44 GLN QB 1 45 SER QB . . 5.180 4.618 3.657 5.181 0.001 3 0 "[ . 1 . 2]" 1
408 1 44 GLN QB 1 50 LEU MD1 . . 5.340 2.847 1.926 3.875 . 0 0 "[ . 1 . 2]" 1
409 1 44 GLN QB 1 58 ILE MD . . 5.340 2.251 1.885 3.319 . 0 0 "[ . 1 . 2]" 1
410 1 44 GLN QG 1 45 SER H . . 5.340 2.941 2.359 4.493 . 0 0 "[ . 1 . 2]" 1
411 1 44 GLN QG 1 58 ILE HB . . 5.340 5.033 3.441 5.499 0.159 17 0 "[ . 1 . 2]" 1
412 1 44 GLN QG 1 58 ILE MD . . 5.340 2.720 1.927 4.136 . 0 0 "[ . 1 . 2]" 1
413 1 45 SER H 1 46 ARG H . . 5.500 2.371 2.138 2.693 . 0 0 "[ . 1 . 2]" 1
414 1 45 SER HA 1 46 ARG H . . 4.000 3.501 3.452 3.558 . 0 0 "[ . 1 . 2]" 1
415 1 45 SER QB 1 46 ARG HA . . 5.340 4.417 3.881 4.863 . 0 0 "[ . 1 . 2]" 1
416 1 45 SER QB 1 47 GLU H . . 5.340 4.734 4.540 4.963 . 0 0 "[ . 1 . 2]" 1
417 1 46 ARG H 1 47 GLU H . . 5.500 2.332 2.081 2.583 . 0 0 "[ . 1 . 2]" 1
418 1 46 ARG H 1 69 THR MG . . 5.500 3.669 3.216 4.269 . 0 0 "[ . 1 . 2]" 1
419 1 46 ARG HA 1 47 GLU H . . 4.000 3.329 3.053 3.513 . 0 0 "[ . 1 . 2]" 1
420 1 46 ARG HA 1 69 THR MG . . 5.500 4.748 4.417 5.207 . 0 0 "[ . 1 . 2]" 1
421 1 47 GLU H 1 48 PRO HD2 . . 5.500 4.648 4.455 4.806 . 0 0 "[ . 1 . 2]" 1
422 1 47 GLU HA 1 48 PRO QB . . 5.230 4.595 4.539 4.670 . 0 0 "[ . 1 . 2]" 1
423 1 47 GLU HA 1 48 PRO QG . . 5.110 3.778 3.765 3.799 . 0 0 "[ . 1 . 2]" 1
424 1 47 GLU HA 1 49 SER H . . 5.500 3.781 3.521 4.043 . 0 0 "[ . 1 . 2]" 1
425 1 47 GLU HA 1 65 LEU MD2 . . 5.500 4.917 2.952 5.626 0.126 9 0 "[ . 1 . 2]" 1
426 1 47 GLU HA 1 65 LEU HG . . 5.500 5.302 4.529 5.632 0.132 7 0 "[ . 1 . 2]" 1
427 1 47 GLU HB2 1 48 PRO HD2 . . 5.500 4.135 3.814 4.410 . 0 0 "[ . 1 . 2]" 1
428 1 47 GLU HB2 1 50 LEU QB . . 5.340 3.810 3.328 4.202 . 0 0 "[ . 1 . 2]" 1
429 1 47 GLU HB2 1 65 LEU HA . . 5.500 5.460 5.253 5.587 0.087 10 0 "[ . 1 . 2]" 1
430 1 47 GLU HB2 1 65 LEU MD2 . . 5.500 3.871 2.542 4.902 . 0 0 "[ . 1 . 2]" 1
431 1 47 GLU HB2 1 69 THR MG . . 5.500 4.187 3.486 4.552 . 0 0 "[ . 1 . 2]" 1
432 1 48 PRO HA 1 50 LEU QB . . 5.340 4.597 4.045 5.347 0.007 12 0 "[ . 1 . 2]" 1
433 1 48 PRO HD2 1 49 SER QB . . 5.340 3.990 3.844 4.835 . 0 0 "[ . 1 . 2]" 1
434 1 48 PRO HD2 1 50 LEU H . . 5.500 4.396 4.204 4.549 . 0 0 "[ . 1 . 2]" 1
435 1 48 PRO HD2 1 50 LEU QB . . 5.340 5.249 4.953 5.420 0.080 11 0 "[ . 1 . 2]" 1
436 1 48 PRO QG 1 49 SER H . . 5.030 2.181 2.056 2.455 . 0 0 "[ . 1 . 2]" 1
437 1 48 PRO QG 1 49 SER HA . . 5.350 4.085 4.035 4.157 . 0 0 "[ . 1 . 2]" 1
438 1 48 PRO QG 1 49 SER QB . . 5.180 3.456 3.191 4.232 . 0 0 "[ . 1 . 2]" 1
439 1 49 SER HA 1 50 LEU QB . . 5.340 5.119 5.061 5.166 . 0 0 "[ . 1 . 2]" 1
440 1 49 SER QB 1 50 LEU HA . . 5.340 3.950 3.769 4.454 . 0 0 "[ . 1 . 2]" 1
441 1 49 SER QB 1 50 LEU QB . . 5.180 4.185 3.722 4.449 . 0 0 "[ . 1 . 2]" 1
442 1 50 LEU H 1 51 LYS H . . 5.500 4.085 3.228 4.482 . 0 0 "[ . 1 . 2]" 1
443 1 50 LEU HA 1 52 ASN QD . . 5.340 4.239 3.245 5.358 0.018 13 0 "[ . 1 . 2]" 1
444 1 50 LEU HA 1 58 ILE HA . . 5.500 5.504 5.206 5.608 0.108 8 0 "[ . 1 . 2]" 1
445 1 50 LEU MD2 1 52 ASN QD . . 5.340 3.914 1.922 5.339 . 0 0 "[ . 1 . 2]" 1
446 1 50 LEU MD2 1 58 ILE HA . . 5.500 3.476 1.960 5.143 . 0 0 "[ . 1 . 2]" 1
447 1 50 LEU MD2 1 58 ILE QG . . 5.340 2.755 1.852 3.954 . 0 0 "[ . 1 . 2]" 1
448 1 50 LEU MD2 1 59 GLU H . . 5.500 3.084 1.830 5.563 0.063 3 0 "[ . 1 . 2]" 1
449 1 51 LYS H 1 52 ASN QD . . 5.340 4.308 2.734 5.231 . 0 0 "[ . 1 . 2]" 1
450 1 51 LYS HA 1 52 ASN QB . . 5.340 4.714 4.260 5.208 . 0 0 "[ . 1 . 2]" 1
451 1 52 ASN HA 1 54 ASN H . . 5.500 3.877 3.483 4.385 . 0 0 "[ . 1 . 2]" 1
452 1 52 ASN QB 1 53 SER HA . . 5.340 4.478 4.191 4.692 . 0 0 "[ . 1 . 2]" 1
453 1 52 ASN QB 1 53 SER QB . . 5.180 4.708 4.126 5.129 . 0 0 "[ . 1 . 2]" 1
454 1 52 ASN QB 1 54 ASN H . . 5.340 2.488 2.001 3.033 . 0 0 "[ . 1 . 2]" 1
455 1 52 ASN QB 1 54 ASN HA . . 5.340 4.760 4.628 4.941 . 0 0 "[ . 1 . 2]" 1
456 1 52 ASN QB 1 54 ASN QB . . 5.180 3.940 2.873 4.890 . 0 0 "[ . 1 . 2]" 1
457 1 52 ASN QB 1 55 PRO HA . . 5.340 4.635 3.918 5.389 0.049 19 0 "[ . 1 . 2]" 1
458 1 52 ASN QB 1 55 PRO QD . . 5.180 5.149 4.915 5.468 0.288 14 0 "[ . 1 . 2]" 1
459 1 52 ASN QB 1 57 GLU QB . . 5.180 3.701 2.370 4.966 . 0 0 "[ . 1 . 2]" 1
460 1 52 ASN QB 1 58 ILE HA . . 5.340 4.530 3.257 5.447 0.107 8 0 "[ . 1 . 2]" 1
461 1 53 SER HA 1 55 PRO QD . . 5.350 4.648 3.630 5.449 0.099 11 0 "[ . 1 . 2]" 1
462 1 53 SER QB 1 54 ASN QB . . 5.180 4.200 3.352 4.890 . 0 0 "[ . 1 . 2]" 1
463 1 54 ASN H 1 57 GLU H . . 5.500 5.269 4.753 5.632 0.132 1 0 "[ . 1 . 2]" 1
464 1 54 ASN H 1 57 GLU QB . . 5.340 4.524 3.726 5.468 0.128 20 0 "[ . 1 . 2]" 1
465 1 54 ASN HA 1 55 PRO QB . . 5.230 4.596 4.534 4.703 . 0 0 "[ . 1 . 2]" 1
466 1 54 ASN HA 1 56 ASP H . . 5.500 3.490 3.191 3.769 . 0 0 "[ . 1 . 2]" 1
467 1 54 ASN HA 1 57 GLU H . . 5.500 5.104 4.666 5.494 . 0 0 "[ . 1 . 2]" 1
468 1 54 ASN HA 1 57 GLU QB . . 5.340 5.332 5.086 5.457 0.117 19 0 "[ . 1 . 2]" 1
469 1 54 ASN HD21 1 55 PRO HA . . 5.500 4.897 4.272 5.507 0.007 10 0 "[ . 1 . 2]" 1
470 1 54 ASN HD21 1 55 PRO QD . . 5.350 4.098 3.588 4.724 . 0 0 "[ . 1 . 2]" 1
471 1 54 ASN HD21 1 56 ASP H . . 5.500 2.509 1.856 3.287 . 0 0 "[ . 1 . 2]" 1
472 1 54 ASN HD21 1 56 ASP HA . . 5.500 4.313 3.705 5.064 . 0 0 "[ . 1 . 2]" 1
473 1 54 ASN HD21 1 56 ASP QB . . 5.340 2.737 1.839 4.028 . 0 0 "[ . 1 . 2]" 1
474 1 54 ASN HD21 1 57 GLU H . . 5.500 2.913 2.063 3.958 . 0 0 "[ . 1 . 2]" 1
475 1 54 ASN HD21 1 57 GLU HA . . 5.500 4.534 3.890 5.278 . 0 0 "[ . 1 . 2]" 1
476 1 54 ASN HD21 1 57 GLU QB . . 5.340 2.765 1.889 3.632 . 0 0 "[ . 1 . 2]" 1
477 1 54 ASN HD22 1 56 ASP H . . 5.500 3.066 2.661 3.448 . 0 0 "[ . 1 . 2]" 1
478 1 54 ASN HD22 1 56 ASP HA . . 5.500 4.242 3.855 4.628 . 0 0 "[ . 1 . 2]" 1
479 1 54 ASN HD22 1 56 ASP QB . . 5.340 2.482 1.937 3.232 . 0 0 "[ . 1 . 2]" 1
480 1 54 ASN HD22 1 57 GLU H . . 5.500 2.968 2.548 3.576 . 0 0 "[ . 1 . 2]" 1
481 1 54 ASN HD22 1 57 GLU QB . . 5.340 2.086 1.856 2.506 . 0 0 "[ . 1 . 2]" 1
482 1 54 ASN QB 1 55 PRO QD . . 5.180 3.053 2.424 3.779 . 0 0 "[ . 1 . 2]" 1
483 1 54 ASN QB 1 57 GLU QB . . 5.180 3.744 3.084 4.204 . 0 0 "[ . 1 . 2]" 1
484 1 55 PRO QB 1 56 ASP QB . . 5.180 4.903 4.512 5.167 . 0 0 "[ . 1 . 2]" 1
485 1 55 PRO QD 1 56 ASP H . . 4.960 2.771 2.675 2.836 . 0 0 "[ . 1 . 2]" 1
486 1 55 PRO QD 1 56 ASP QB . . 5.180 4.319 3.773 4.697 . 0 0 "[ . 1 . 2]" 1
487 1 56 ASP H 1 57 GLU H . . 5.500 2.640 2.537 2.784 . 0 0 "[ . 1 . 2]" 1
488 1 56 ASP H 1 57 GLU QB . . 5.340 4.127 3.894 4.387 . 0 0 "[ . 1 . 2]" 1
489 1 56 ASP HA 1 57 GLU H . . 3.190 3.158 3.001 3.334 0.144 20 0 "[ . 1 . 2]" 1
490 1 56 ASP HA 1 57 GLU QB . . 5.340 4.770 4.707 4.910 . 0 0 "[ . 1 . 2]" 1
491 1 57 GLU H 1 58 ILE H . . 5.500 4.270 4.044 4.381 . 0 0 "[ . 1 . 2]" 1
492 1 57 GLU HA 1 58 ILE H . . 3.470 2.182 2.140 2.239 . 0 0 "[ . 1 . 2]" 1
493 1 57 GLU QG 1 58 ILE H . . 5.340 2.502 2.030 2.878 . 0 0 "[ . 1 . 2]" 1
494 1 58 ILE H 1 59 GLU H . . 5.500 4.342 4.273 4.401 . 0 0 "[ . 1 . 2]" 1
495 1 58 ILE HA 1 59 GLU H . . 3.370 2.217 2.172 2.235 . 0 0 "[ . 1 . 2]" 1
496 1 58 ILE MD 1 59 GLU H . . 5.500 3.518 2.051 4.289 . 0 0 "[ . 1 . 2]" 1
497 1 58 ILE MD 1 60 ILE HA . . 5.500 4.257 3.454 5.190 . 0 0 "[ . 1 . 2]" 1
498 1 58 ILE MD 1 60 ILE HB . . 5.500 5.087 4.448 5.674 0.174 16 0 "[ . 1 . 2]" 1
499 1 58 ILE MD 1 60 ILE QG . . 5.340 2.627 2.079 3.937 . 0 0 "[ . 1 . 2]" 1
500 1 58 ILE QG 1 59 GLU H . . 5.340 2.570 2.330 3.162 . 0 0 "[ . 1 . 2]" 1
501 1 58 ILE QG 1 59 GLU HA . . 5.340 4.869 4.599 5.336 . 0 0 "[ . 1 . 2]" 1
502 1 58 ILE QG 1 60 ILE H . . 5.340 5.115 4.697 5.489 0.149 14 0 "[ . 1 . 2]" 1
503 1 58 ILE QG 1 60 ILE QG . . 5.180 3.923 3.380 4.630 . 0 0 "[ . 1 . 2]" 1
504 1 59 GLU H 1 60 ILE H . . 5.500 3.998 3.951 4.041 . 0 0 "[ . 1 . 2]" 1
505 1 59 GLU H 1 60 ILE QG . . 5.340 4.206 3.964 5.184 . 0 0 "[ . 1 . 2]" 1
506 1 60 ILE HA 1 61 ASP H . . 3.470 2.151 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
507 1 60 ILE MG 1 65 LEU HG . . 5.500 4.109 2.902 5.343 . 0 0 "[ . 1 . 2]" 1
508 1 60 ILE MG 1 61 ASP H . . 5.500 3.023 2.845 3.099 . 0 0 "[ . 1 . 2]" 1
509 1 60 ILE MG 1 62 PHE H . . 5.500 3.553 3.165 3.988 . 0 0 "[ . 1 . 2]" 1
510 1 60 ILE MG 1 65 LEU H . . 5.500 5.399 5.060 5.610 0.110 13 0 "[ . 1 . 2]" 1
511 1 60 ILE MG 1 65 LEU MD1 . . 5.500 2.653 1.751 4.359 . 0 0 "[ . 1 . 2]" 1
512 1 60 ILE MG 1 65 LEU MD2 . . 5.500 2.534 1.859 3.623 . 0 0 "[ . 1 . 2]" 1
513 1 60 ILE QG 1 61 ASP H . . 5.340 4.365 3.641 4.839 . 0 0 "[ . 1 . 2]" 1
514 1 61 ASP H 1 65 LEU HA . . 5.500 5.329 5.121 5.540 0.040 18 0 "[ . 1 . 2]" 1
515 1 61 ASP H 1 65 LEU MD2 . . 5.500 3.794 2.725 4.496 . 0 0 "[ . 1 . 2]" 1
516 1 61 ASP HA 1 63 GLU H . . 5.500 3.410 3.300 3.662 . 0 0 "[ . 1 . 2]" 1
517 1 61 ASP HA 1 64 THR H . . 5.500 4.543 4.261 4.714 . 0 0 "[ . 1 . 2]" 1
518 1 61 ASP HA 1 65 LEU H . . 5.500 5.046 4.955 5.640 0.140 18 0 "[ . 1 . 2]" 1
519 1 61 ASP HA 1 65 LEU MD2 . . 5.500 5.286 4.804 5.695 0.195 17 0 "[ . 1 . 2]" 1
520 1 61 ASP QB 1 63 GLU H . . 5.340 3.418 2.978 4.097 . 0 0 "[ . 1 . 2]" 1
521 1 61 ASP QB 1 63 GLU QB . . 5.180 3.372 2.975 4.050 . 0 0 "[ . 1 . 2]" 1
522 1 61 ASP QB 1 64 THR H . . 5.340 2.948 2.577 3.357 . 0 0 "[ . 1 . 2]" 1
523 1 61 ASP QB 1 64 THR MG . . 5.340 2.024 1.850 2.291 . 0 0 "[ . 1 . 2]" 1
524 1 61 ASP QB 1 65 LEU H . . 5.340 3.726 3.484 4.339 . 0 0 "[ . 1 . 2]" 1
525 1 61 ASP QB 1 65 LEU MD2 . . 5.340 5.106 3.512 5.529 0.189 11 0 "[ . 1 . 2]" 1
526 1 62 PHE H 1 63 GLU H . . 5.500 2.689 2.630 2.765 . 0 0 "[ . 1 . 2]" 1
527 1 62 PHE H 1 64 THR H . . 5.500 4.381 4.155 4.499 . 0 0 "[ . 1 . 2]" 1
528 1 62 PHE H 1 65 LEU H . . 5.500 4.511 4.419 4.884 . 0 0 "[ . 1 . 2]" 1
529 1 62 PHE H 1 65 LEU MD2 . . 5.500 4.657 3.972 5.537 0.037 17 0 "[ . 1 . 2]" 1
530 1 62 PHE HA 1 62 PHE QD . . 4.200 1.992 1.887 2.247 . 0 0 "[ . 1 . 2]" 1
531 1 62 PHE HA 1 64 THR H . . 5.500 3.814 3.580 4.096 . 0 0 "[ . 1 . 2]" 1
532 1 62 PHE HA 1 65 LEU H . . 5.500 2.938 2.832 3.134 . 0 0 "[ . 1 . 2]" 1
533 1 62 PHE HA 1 65 LEU MD1 . . 5.500 3.507 1.914 4.296 . 0 0 "[ . 1 . 2]" 1
534 1 62 PHE HA 1 65 LEU MD2 . . 5.500 3.445 2.699 4.304 . 0 0 "[ . 1 . 2]" 1
535 1 62 PHE HA 1 65 LEU HG . . 5.500 4.271 2.907 4.848 . 0 0 "[ . 1 . 2]" 1
536 1 62 PHE HA 1 65 LEU QB . . 5.340 1.891 1.818 1.963 . 0 0 "[ . 1 . 2]" 1
537 1 62 PHE HA 1 70 LEU MD1 . . 5.500 2.709 2.113 3.771 . 0 0 "[ . 1 . 2]" 1
538 1 62 PHE QB 1 65 LEU MD1 . . 5.340 4.930 3.087 5.504 0.164 10 0 "[ . 1 . 2]" 1
539 1 62 PHE QB 1 65 LEU MD2 . . 5.340 4.723 4.071 5.686 0.346 17 0 "[ . 1 . 2]" 1
540 1 62 PHE QE 1 70 LEU MD1 . . 4.800 3.134 1.906 4.526 . 0 0 "[ . 1 . 2]" 1
541 1 63 GLU H 1 64 THR H . . 5.500 2.702 2.509 2.803 . 0 0 "[ . 1 . 2]" 1
542 1 63 GLU H 1 65 LEU H . . 5.500 3.808 3.684 3.926 . 0 0 "[ . 1 . 2]" 1
543 1 63 GLU HA 1 64 THR MG . . 5.500 4.965 4.355 5.213 . 0 0 "[ . 1 . 2]" 1
544 1 63 GLU QB 1 64 THR MG . . 5.340 3.446 2.720 4.167 . 0 0 "[ . 1 . 2]" 1
545 1 63 GLU QB 1 65 LEU H . . 5.340 4.513 4.363 5.058 . 0 0 "[ . 1 . 2]" 1
546 1 63 GLU QG 1 64 THR H . . 5.340 4.064 2.127 4.590 . 0 0 "[ . 1 . 2]" 1
547 1 63 GLU QG 1 64 THR MG . . 5.340 4.655 2.342 5.214 . 0 0 "[ . 1 . 2]" 1
548 1 64 THR H 1 65 LEU H . . 5.500 1.933 1.875 2.292 . 0 0 "[ . 1 . 2]" 1
549 1 64 THR H 1 65 LEU QB . . 5.340 3.619 3.522 3.915 . 0 0 "[ . 1 . 2]" 1
550 1 64 THR MG 1 65 LEU HA . . 5.500 3.474 3.057 5.394 . 0 0 "[ . 1 . 2]" 1
551 1 64 THR MG 1 65 LEU MD2 . . 5.500 4.618 2.745 5.581 0.081 6 0 "[ . 1 . 2]" 1
552 1 64 THR MG 1 65 LEU HG . . 5.500 4.777 2.990 5.351 . 0 0 "[ . 1 . 2]" 1
553 1 64 THR MG 1 65 LEU QB . . 5.340 3.637 3.352 5.372 0.032 18 0 "[ . 1 . 2]" 1
554 1 65 LEU H 1 65 LEU HG . . 5.500 4.081 2.530 4.540 . 0 0 "[ . 1 . 2]" 1
555 1 65 LEU H 1 66 LYS H . . 5.500 4.634 4.566 4.644 . 0 0 "[ . 1 . 2]" 1
556 1 65 LEU H 1 70 LEU MD1 . . 5.500 4.415 3.988 5.120 . 0 0 "[ . 1 . 2]" 1
557 1 65 LEU HA 1 70 LEU MD1 . . 5.500 4.407 4.124 5.127 . 0 0 "[ . 1 . 2]" 1
558 1 65 LEU MD1 1 66 LYS H . . 5.500 3.562 1.839 5.066 . 0 0 "[ . 1 . 2]" 1
559 1 65 LEU MD1 1 69 THR HB . . 5.500 3.972 1.935 4.979 . 0 0 "[ . 1 . 2]" 1
560 1 65 LEU MD1 1 69 THR MG . . 5.500 3.461 2.127 4.774 . 0 0 "[ . 1 . 2]" 1
561 1 65 LEU MD1 1 70 LEU HA . . 5.500 5.288 4.135 5.660 0.160 14 0 "[ . 1 . 2]" 1
562 1 65 LEU MD2 1 70 LEU MD1 . . 5.500 2.610 1.740 4.349 . 0 0 "[ . 1 . 2]" 1
563 1 65 LEU MD2 1 69 THR HB . . 5.500 3.026 2.134 4.568 . 0 0 "[ . 1 . 2]" 1
564 1 65 LEU MD2 1 69 THR MG . . 5.500 2.661 1.989 4.063 . 0 0 "[ . 1 . 2]" 1
565 1 65 LEU HG 1 69 THR HB . . 5.500 3.765 2.635 5.647 0.147 18 0 "[ . 1 . 2]" 1
566 1 65 LEU HG 1 69 THR MG . . 5.500 3.883 3.289 5.259 . 0 0 "[ . 1 . 2]" 1
567 1 65 LEU HG 1 70 LEU MD1 . . 5.500 3.618 2.573 4.698 . 0 0 "[ . 1 . 2]" 1
568 1 65 LEU QB 1 70 LEU MD1 . . 5.340 2.096 1.852 2.763 . 0 0 "[ . 1 . 2]" 1
569 1 66 LYS H 1 69 THR H . . 5.500 4.340 3.958 4.528 . 0 0 "[ . 1 . 2]" 1
570 1 66 LYS H 1 70 LEU H . . 5.500 4.654 4.472 4.882 . 0 0 "[ . 1 . 2]" 1
571 1 66 LYS H 1 70 LEU HB2 . . 5.500 5.522 5.139 5.683 0.183 13 0 "[ . 1 . 2]" 1
572 1 66 LYS HA 1 67 PRO HG2 . . 5.500 4.616 4.551 4.665 . 0 0 "[ . 1 . 2]" 1
573 1 66 LYS HA 1 68 SER QB . . 5.340 5.357 5.311 5.410 0.070 6 0 "[ . 1 . 2]" 1
574 1 66 LYS HA 1 69 THR H . . 5.500 5.072 4.877 5.168 . 0 0 "[ . 1 . 2]" 1
575 1 66 LYS HA 1 69 THR HB . . 5.500 5.584 5.521 5.667 0.167 3 0 "[ . 1 . 2]" 1
576 1 66 LYS HA 1 70 LEU MD1 . . 5.500 4.437 3.717 5.234 . 0 0 "[ . 1 . 2]" 1
577 1 67 PRO HA 1 69 THR H . . 5.500 4.583 4.356 4.866 . 0 0 "[ . 1 . 2]" 1
578 1 67 PRO HA 1 70 LEU H . . 5.500 3.530 3.286 3.999 . 0 0 "[ . 1 . 2]" 1
579 1 67 PRO HA 1 70 LEU HB2 . . 5.500 2.389 2.092 3.225 . 0 0 "[ . 1 . 2]" 1
580 1 67 PRO HA 1 70 LEU MD2 . . 5.500 3.405 2.395 4.638 . 0 0 "[ . 1 . 2]" 1
581 1 67 PRO HB2 1 68 SER QB . . 5.340 4.758 4.628 4.905 . 0 0 "[ . 1 . 2]" 1
582 1 67 PRO HG2 1 68 SER HA . . 5.500 4.155 4.094 4.314 . 0 0 "[ . 1 . 2]" 1
583 1 67 PRO HG2 1 68 SER QB . . 5.340 3.653 3.552 3.732 . 0 0 "[ . 1 . 2]" 1
584 1 68 SER HA 1 71 ARG H . . 5.500 4.047 3.599 4.297 . 0 0 "[ . 1 . 2]" 1
585 1 68 SER HA 1 71 ARG QB . . 4.000 3.491 2.701 3.754 . 0 0 "[ . 1 . 2]" 1
586 1 69 THR H 1 70 LEU H . . 5.500 2.639 2.454 2.869 . 0 0 "[ . 1 . 2]" 1
587 1 69 THR H 1 71 ARG H . . 5.500 4.466 4.194 4.706 . 0 0 "[ . 1 . 2]" 1
588 1 69 THR HA 1 70 LEU HB2 . . 5.500 5.522 5.494 5.552 0.052 6 0 "[ . 1 . 2]" 1
589 1 69 THR HA 1 71 ARG H . . 5.500 4.674 4.418 4.865 . 0 0 "[ . 1 . 2]" 1
590 1 69 THR HA 1 72 GLU H . . 5.500 3.383 3.226 3.553 . 0 0 "[ . 1 . 2]" 1
591 1 69 THR HA 1 72 GLU QB . . 4.000 2.234 2.029 2.966 . 0 0 "[ . 1 . 2]" 1
592 1 69 THR HA 1 73 LEU H . . 5.500 4.440 3.685 4.756 . 0 0 "[ . 1 . 2]" 1
593 1 69 THR HA 1 73 LEU MD1 . . 5.500 4.932 3.120 5.382 . 0 0 "[ . 1 . 2]" 1
594 1 69 THR HB 1 70 LEU H . . 5.500 2.549 2.260 2.785 . 0 0 "[ . 1 . 2]" 1
595 1 69 THR MG 1 70 LEU HA . . 5.500 3.751 3.275 4.031 . 0 0 "[ . 1 . 2]" 1
596 1 69 THR MG 1 72 GLU H . . 5.500 4.442 4.235 4.672 . 0 0 "[ . 1 . 2]" 1
597 1 69 THR MG 1 73 LEU HA . . 5.500 5.392 4.520 5.543 0.043 20 0 "[ . 1 . 2]" 1
598 1 69 THR MG 1 73 LEU MD2 . . 5.500 2.357 1.909 2.926 . 0 0 "[ . 1 . 2]" 1
599 1 70 LEU H 1 70 LEU MD1 . . 5.500 2.792 2.263 3.365 . 0 0 "[ . 1 . 2]" 1
600 1 70 LEU H 1 71 ARG H . . 5.500 2.945 2.700 3.048 . 0 0 "[ . 1 . 2]" 1
601 1 70 LEU HA 1 71 ARG H . . 4.000 3.564 3.546 3.571 . 0 0 "[ . 1 . 2]" 1
602 1 70 LEU HA 1 73 LEU H . . 5.500 3.855 3.183 4.175 . 0 0 "[ . 1 . 2]" 1
603 1 70 LEU HA 1 73 LEU HB3 . . 5.500 5.362 4.386 5.586 0.086 13 0 "[ . 1 . 2]" 1
604 1 70 LEU HA 1 73 LEU MD2 . . 5.500 3.695 1.995 5.321 . 0 0 "[ . 1 . 2]" 1
605 1 70 LEU HB2 1 71 ARG H . . 5.500 2.821 2.674 3.220 . 0 0 "[ . 1 . 2]" 1
606 1 70 LEU MD1 1 71 ARG H . . 5.500 4.416 4.316 4.646 . 0 0 "[ . 1 . 2]" 1
607 1 71 ARG HA 1 72 GLU H . . 4.000 3.510 3.494 3.545 . 0 0 "[ . 1 . 2]" 1
608 1 71 ARG HA 1 74 GLU H . . 5.500 3.323 3.060 4.004 . 0 0 "[ . 1 . 2]" 1
609 1 71 ARG HA 1 74 GLU QB . . 4.000 2.650 2.246 3.216 . 0 0 "[ . 1 . 2]" 1
610 1 72 GLU H 1 73 LEU H . . 5.500 2.828 2.484 2.976 . 0 0 "[ . 1 . 2]" 1
611 1 72 GLU H 1 74 GLU H . . 5.500 4.328 4.054 4.594 . 0 0 "[ . 1 . 2]" 1
612 1 72 GLU HA 1 73 LEU H . . 4.000 3.537 3.503 3.569 . 0 0 "[ . 1 . 2]" 1
613 1 72 GLU HA 1 75 ARG H . . 5.340 3.661 3.380 3.833 . 0 0 "[ . 1 . 2]" 1
614 1 72 GLU HA 1 75 ARG QB . . 3.500 2.801 2.277 3.074 . 0 0 "[ . 1 . 2]" 1
615 1 72 GLU HA 1 75 ARG QG . . 5.340 4.508 3.621 4.927 . 0 0 "[ . 1 . 2]" 1
616 1 73 LEU H 1 73 LEU MD2 . . 5.500 2.424 1.879 3.458 . 0 0 "[ . 1 . 2]" 1
617 1 73 LEU H 1 74 GLU H . . 5.500 2.677 2.499 2.978 . 0 0 "[ . 1 . 2]" 1
618 1 73 LEU HA 1 74 GLU H . . 4.000 3.548 3.513 3.571 . 0 0 "[ . 1 . 2]" 1
619 1 73 LEU HA 1 76 TYR H . . 5.340 3.335 3.192 3.716 . 0 0 "[ . 1 . 2]" 1
620 1 73 LEU HA 1 76 TYR QB . . 4.430 2.770 2.618 3.291 . 0 0 "[ . 1 . 2]" 1
621 1 73 LEU HB3 1 74 GLU H . . 5.500 3.739 3.134 3.970 . 0 0 "[ . 1 . 2]" 1
622 1 73 LEU MD2 1 74 GLU H . . 5.500 4.144 3.214 4.840 . 0 0 "[ . 1 . 2]" 1
623 1 74 GLU H 1 75 ARG H . . 5.500 2.693 2.540 2.799 . 0 0 "[ . 1 . 2]" 1
624 1 74 GLU HA 1 75 ARG H . . 4.000 3.488 3.441 3.523 . 0 0 "[ . 1 . 2]" 1
625 1 74 GLU HA 1 77 VAL H . . 5.500 3.539 3.334 3.674 . 0 0 "[ . 1 . 2]" 1
626 1 74 GLU HA 1 77 VAL HB . . 3.500 3.621 3.563 3.667 0.167 15 0 "[ . 1 . 2]" 1
627 1 74 GLU HA 1 78 THR HB . . 5.500 5.181 4.247 5.516 0.016 9 0 "[ . 1 . 2]" 1
628 1 74 GLU QB 1 77 VAL MG1 . . 5.340 3.603 3.446 3.682 . 0 0 "[ . 1 . 2]" 1
629 1 74 GLU QG 1 78 THR MG . . 5.340 4.466 3.313 5.353 0.013 3 0 "[ . 1 . 2]" 1
630 1 75 ARG H 1 77 VAL H . . 5.500 4.159 3.892 4.682 . 0 0 "[ . 1 . 2]" 1
631 1 75 ARG HA 1 76 TYR H . . 4.000 3.506 3.480 3.518 . 0 0 "[ . 1 . 2]" 1
632 1 75 ARG HA 1 78 THR H . . 5.000 3.791 3.608 3.988 . 0 0 "[ . 1 . 2]" 1
633 1 75 ARG HA 1 78 THR HB . . 3.500 3.114 2.937 3.615 0.115 7 0 "[ . 1 . 2]" 1
634 1 75 ARG QB 1 79 SER H . . 5.340 5.257 5.054 5.333 . 0 0 "[ . 1 . 2]" 1
635 1 75 ARG QG 1 78 THR HB . . 5.340 4.474 4.159 5.189 . 0 0 "[ . 1 . 2]" 1
636 1 75 ARG QG 1 79 SER QB . . 5.180 4.842 4.037 5.170 . 0 0 "[ . 1 . 2]" 1
637 1 76 TYR H 1 77 VAL H . . 5.500 2.498 2.359 2.658 . 0 0 "[ . 1 . 2]" 1
638 1 76 TYR HA 1 77 VAL H . . 4.000 3.545 3.515 3.569 . 0 0 "[ . 1 . 2]" 1
639 1 76 TYR HA 1 77 VAL MG1 . . 5.500 5.076 4.957 5.201 . 0 0 "[ . 1 . 2]" 1
640 1 76 TYR HA 1 79 SER H . . 5.340 3.380 3.179 3.718 . 0 0 "[ . 1 . 2]" 1
641 1 76 TYR HA 1 79 SER QB . . 3.500 2.783 2.269 3.152 . 0 0 "[ . 1 . 2]" 1
642 1 76 TYR HA 1 80 CYS QB . . 5.340 5.052 4.598 5.347 0.007 12 0 "[ . 1 . 2]" 1
643 1 76 TYR QB 1 80 CYS QB . . 5.180 4.660 4.052 5.073 . 0 0 "[ . 1 . 2]" 1
644 1 77 VAL H 1 78 THR H . . 5.500 2.639 2.441 2.769 . 0 0 "[ . 1 . 2]" 1
645 1 77 VAL H 1 79 SER H . . 5.500 4.120 3.948 4.402 . 0 0 "[ . 1 . 2]" 1
646 1 77 VAL H 1 80 CYS H . . 5.500 4.917 4.772 5.061 . 0 0 "[ . 1 . 2]" 1
647 1 77 VAL HA 1 78 THR H . . 4.000 3.500 3.493 3.517 . 0 0 "[ . 1 . 2]" 1
648 1 77 VAL HA 1 80 CYS H . . 5.500 3.594 3.390 3.729 . 0 0 "[ . 1 . 2]" 1
649 1 77 VAL HA 1 80 CYS QB . . 5.340 3.097 2.763 3.384 . 0 0 "[ . 1 . 2]" 1
650 1 77 VAL HB 1 78 THR H . . 5.500 3.872 3.796 3.910 . 0 0 "[ . 1 . 2]" 1
651 1 77 VAL HB 1 78 THR HA . . 5.500 5.587 5.551 5.620 0.120 15 0 "[ . 1 . 2]" 1
652 1 77 VAL HB 1 81 LEU HB2 . . 5.500 5.555 5.501 5.623 0.123 8 0 "[ . 1 . 2]" 1
653 1 77 VAL MG1 1 78 THR MG . . 5.500 4.099 3.541 4.189 . 0 0 "[ . 1 . 2]" 1
654 1 77 VAL MG1 1 81 LEU H . . 5.500 4.675 4.518 4.894 . 0 0 "[ . 1 . 2]" 1
655 1 77 VAL MG1 1 81 LEU HB2 . . 5.500 4.190 3.776 4.636 . 0 0 "[ . 1 . 2]" 1
656 1 77 VAL MG1 1 81 LEU MD2 . . 5.500 4.725 3.518 5.523 0.023 16 0 "[ . 1 . 2]" 1
657 1 77 VAL MG2 1 81 LEU HB2 . . 5.500 2.807 2.665 3.091 . 0 0 "[ . 1 . 2]" 1
658 1 77 VAL MG2 1 81 LEU MD2 . . 5.500 3.402 2.606 4.671 . 0 0 "[ . 1 . 2]" 1
659 1 77 VAL MG2 1 78 THR H . . 5.500 3.910 3.837 4.000 . 0 0 "[ . 1 . 2]" 1
660 1 77 VAL MG2 1 78 THR HA . . 5.500 4.055 3.923 4.171 . 0 0 "[ . 1 . 2]" 1
661 1 77 VAL MG2 1 78 THR MG . . 5.500 5.365 5.116 5.507 0.007 4 0 "[ . 1 . 2]" 1
662 1 78 THR H 1 79 SER H . . 5.500 2.476 2.380 2.592 . 0 0 "[ . 1 . 2]" 1
663 1 78 THR HA 1 79 SER H . . 4.000 3.507 3.478 3.549 . 0 0 "[ . 1 . 2]" 1
664 1 78 THR HA 1 81 LEU H . . 5.500 3.592 3.374 3.778 . 0 0 "[ . 1 . 2]" 1
665 1 78 THR HA 1 81 LEU QB . . 4.000 2.932 2.427 3.553 . 0 0 "[ . 1 . 2]" 1
666 1 78 THR MG 1 79 SER H . . 5.500 3.447 1.981 3.789 . 0 0 "[ . 1 . 2]" 1
667 1 78 THR MG 1 79 SER HA . . 5.500 3.551 3.054 3.868 . 0 0 "[ . 1 . 2]" 1
668 1 78 THR MG 1 81 LEU HB2 . . 5.500 5.460 5.207 5.604 0.104 7 0 "[ . 1 . 2]" 1
669 1 78 THR MG 1 82 ARG H . . 5.500 3.950 3.606 5.170 . 0 0 "[ . 1 . 2]" 1
670 1 78 THR MG 1 82 ARG HA . . 5.500 3.856 3.193 5.291 . 0 0 "[ . 1 . 2]" 1
671 1 78 THR MG 1 82 ARG QG . . 5.340 4.370 2.060 5.344 0.004 7 0 "[ . 1 . 2]" 1
672 1 78 THR MG 1 79 SER QB . . 5.340 4.216 2.888 4.896 . 0 0 "[ . 1 . 2]" 1
673 1 79 SER H 1 80 CYS QB . . 5.340 4.414 4.218 4.680 . 0 0 "[ . 1 . 2]" 1
674 1 79 SER HA 1 80 CYS H . . 4.000 3.507 3.497 3.515 . 0 0 "[ . 1 . 2]" 1
675 1 79 SER HA 1 82 ARG H . . 5.340 3.897 3.760 3.999 . 0 0 "[ . 1 . 2]" 1
676 1 80 CYS H 1 81 LEU H . . 5.500 2.438 2.338 2.551 . 0 0 "[ . 1 . 2]" 1
677 1 80 CYS H 1 82 ARG H . . 5.500 3.609 3.497 3.787 . 0 0 "[ . 1 . 2]" 1
678 1 80 CYS HA 1 81 LEU H . . 4.000 3.551 3.518 3.562 . 0 0 "[ . 1 . 2]" 1
679 1 80 CYS QB 1 81 LEU MD2 . . 5.340 4.600 2.267 5.390 0.050 13 0 "[ . 1 . 2]" 1
680 1 80 CYS QB 1 82 ARG H . . 5.340 4.414 4.280 4.503 . 0 0 "[ . 1 . 2]" 1
681 1 81 LEU H 1 81 LEU MD1 . . 5.500 3.994 2.901 4.343 . 0 0 "[ . 1 . 2]" 1
682 1 81 LEU HB2 1 82 ARG H . . 5.500 3.793 3.167 4.301 . 0 0 "[ . 1 . 2]" 1
683 1 81 LEU MD2 1 82 ARG H . . 5.500 4.649 4.025 5.453 . 0 0 "[ . 1 . 2]" 1
684 1 82 ARG H 1 82 ARG QD . . 5.340 4.585 3.178 5.111 . 0 0 "[ . 1 . 2]" 1
685 1 82 ARG H 1 83 LYS QB . . 5.340 4.819 4.315 5.367 0.027 2 0 "[ . 1 . 2]" 1
686 2 1 THR HA 2 2 TRP H . . 3.000 2.655 2.623 2.692 . 0 0 "[ . 1 . 2]" 1
687 2 1 THR HA 2 2 TRP HD1 . . 4.000 3.752 3.464 4.022 0.022 18 0 "[ . 1 . 2]" 1
688 2 1 THR HB 2 2 TRP H . . 3.000 2.192 2.145 2.225 . 0 0 "[ . 1 . 2]" 1
689 2 1 THR HB 2 2 TRP HD1 . . 5.000 5.005 4.972 5.020 0.020 15 0 "[ . 1 . 2]" 1
690 2 1 THR MG 2 2 TRP H . . 3.000 2.319 2.102 2.435 . 0 0 "[ . 1 . 2]" 1
691 2 1 THR MG 2 2 TRP HD1 . . 4.000 3.771 3.574 3.877 . 0 0 "[ . 1 . 2]" 1
692 2 2 TRP H 2 2 TRP HB2 . . 4.000 2.203 2.153 2.252 . 0 0 "[ . 1 . 2]" 1
693 2 2 TRP H 2 2 TRP HB3 . . 4.000 3.492 3.462 3.522 . 0 0 "[ . 1 . 2]" 1
694 2 2 TRP H 2 2 TRP HD1 . . 3.000 2.949 2.865 3.001 0.001 6 0 "[ . 1 . 2]" 1
695 2 2 TRP H 2 2 TRP HE1 . . 5.500 5.457 5.374 5.517 0.017 4 0 "[ . 1 . 2]" 1
696 2 2 TRP H 2 3 ARG H . . 4.500 4.593 4.531 4.631 0.131 8 0 "[ . 1 . 2]" 1
697 2 2 TRP HA 2 3 ARG H . . 2.500 2.372 2.296 2.533 0.033 12 0 "[ . 1 . 2]" 1
698 2 2 TRP HA 2 16 THR H . . 5.000 4.596 4.218 4.983 . 0 0 "[ . 1 . 2]" 1
699 2 2 TRP HA 2 17 ARG HA . . 4.000 2.618 2.453 2.755 . 0 0 "[ . 1 . 2]" 1
700 2 2 TRP HB2 2 2 TRP HE1 . . 5.000 4.845 4.821 4.876 . 0 0 "[ . 1 . 2]" 1
701 2 2 TRP HB2 2 3 ARG H . . 4.000 3.947 3.663 4.097 0.097 3 0 "[ . 1 . 2]" 1
702 2 2 TRP HB3 2 2 TRP HE1 . . 5.500 5.273 5.265 5.280 . 0 0 "[ . 1 . 2]" 1
703 2 2 TRP HB3 2 3 ARG H . . 4.000 2.602 2.200 2.823 . 0 0 "[ . 1 . 2]" 1
704 2 2 TRP HD1 2 3 ARG H . . 5.500 5.433 5.274 5.571 0.071 16 0 "[ . 1 . 2]" 1
705 2 2 TRP HE1 2 17 ARG QB . . 4.000 4.060 3.976 4.158 0.158 8 0 "[ . 1 . 2]" 1
706 2 2 TRP HE3 2 15 LEU HA . . 4.000 3.542 3.387 3.723 . 0 0 "[ . 1 . 2]" 1
707 2 2 TRP HE3 2 16 THR H . . 3.000 2.496 2.386 2.619 . 0 0 "[ . 1 . 2]" 1
708 2 2 TRP HE3 2 16 THR HA . . 4.000 3.615 3.474 3.752 . 0 0 "[ . 1 . 2]" 1
709 2 2 TRP HE3 2 17 ARG H . . 5.000 4.317 4.218 4.414 . 0 0 "[ . 1 . 2]" 1
710 2 2 TRP HZ3 2 3 ARG H . . 5.300 5.171 4.826 5.354 0.054 4 0 "[ . 1 . 2]" 1
711 2 2 TRP HZ3 2 16 THR H . . 4.000 3.348 3.139 3.527 . 0 0 "[ . 1 . 2]" 1
712 2 2 TRP HZ3 2 16 THR HA . . 3.000 2.696 2.578 2.823 . 0 0 "[ . 1 . 2]" 1
713 2 2 TRP HZ3 2 16 THR HB . . 5.000 5.062 4.949 5.194 0.194 19 0 "[ . 1 . 2]" 1
714 2 2 TRP HZ3 2 16 THR MG . . 5.000 4.042 3.959 4.106 . 0 0 "[ . 1 . 2]" 1
715 2 2 TRP HZ3 2 17 ARG H . . 4.000 3.997 3.863 4.077 0.077 12 0 "[ . 1 . 2]" 1
716 2 2 TRP HZ3 2 17 ARG HA . . 5.000 4.922 4.743 5.059 0.059 9 0 "[ . 1 . 2]" 1
717 2 2 TRP HH2 2 16 THR H . . 5.500 5.477 5.321 5.617 0.117 6 0 "[ . 1 . 2]" 1
718 2 2 TRP HH2 2 16 THR HA . . 4.000 3.670 3.554 3.797 . 0 0 "[ . 1 . 2]" 1
719 2 2 TRP HH2 2 17 ARG H . . 5.000 3.920 3.828 4.013 . 0 0 "[ . 1 . 2]" 1
720 2 3 ARG H 2 3 ARG HG2 . . 3.000 2.208 2.006 2.367 . 0 0 "[ . 1 . 2]" 1
721 2 3 ARG H 2 3 ARG HG3 . . 3.500 3.487 3.356 3.544 0.044 19 0 "[ . 1 . 2]" 1
722 2 3 ARG H 2 3 ARG QD . . 4.000 3.948 3.647 4.047 0.047 19 0 "[ . 1 . 2]" 1
723 2 3 ARG H 2 15 LEU HA . . 5.000 4.392 4.073 4.826 . 0 0 "[ . 1 . 2]" 1
724 2 3 ARG H 2 16 THR H . . 3.000 2.754 2.491 3.111 0.111 1 0 "[ . 1 . 2]" 1
725 2 3 ARG H 2 17 ARG HA . . 5.000 4.048 3.691 4.321 . 0 0 "[ . 1 . 2]" 1
726 2 3 ARG HA 2 4 VAL H . . 2.500 2.471 2.372 2.594 0.094 9 0 "[ . 1 . 2]" 1
727 2 3 ARG HG2 2 4 VAL H . . 4.500 4.351 4.113 4.530 0.030 20 0 "[ . 1 . 2]" 1
728 2 3 ARG HG3 2 4 VAL H . . 4.000 3.480 3.079 3.811 . 0 0 "[ . 1 . 2]" 1
729 2 3 ARG QD 2 5 GLN HE21 . . 5.000 4.543 3.890 5.005 0.005 5 0 "[ . 1 . 2]" 1
730 2 3 ARG QD 2 5 GLN HE22 . . 5.000 3.727 2.392 4.782 . 0 0 "[ . 1 . 2]" 1
731 2 4 VAL H 2 4 VAL HB . . 3.500 3.063 2.896 3.367 . 0 0 "[ . 1 . 2]" 1
732 2 4 VAL H 2 5 GLN H . . 4.500 4.336 4.216 4.443 . 0 0 "[ . 1 . 2]" 1
733 2 4 VAL HA 2 5 GLN H . . 2.500 2.228 2.149 2.361 . 0 0 "[ . 1 . 2]" 1
734 2 4 VAL HA 2 14 ARG H . . 5.000 4.618 4.347 4.846 . 0 0 "[ . 1 . 2]" 1
735 2 4 VAL HA 2 15 LEU HA . . 3.000 2.564 2.366 2.783 . 0 0 "[ . 1 . 2]" 1
736 2 4 VAL HA 2 15 LEU QD . . 4.000 2.356 1.888 2.974 . 0 0 "[ . 1 . 2]" 1
737 2 4 VAL HA 2 16 THR H . . 4.000 3.774 3.461 4.086 0.086 2 0 "[ . 1 . 2]" 1
738 2 4 VAL HB 2 15 LEU HA . . 4.500 4.355 3.566 4.849 0.349 18 0 "[ . 1 . 2]" 1
739 2 4 VAL QG 2 15 LEU HA . . 4.000 2.969 2.028 3.986 . 0 0 "[ . 1 . 2]" 1
740 2 5 GLN H 2 5 GLN QG . . 3.000 2.732 2.108 3.056 0.056 16 0 "[ . 1 . 2]" 1
741 2 5 GLN H 2 5 GLN HE21 . . 5.000 3.359 2.680 4.474 . 0 0 "[ . 1 . 2]" 1
742 2 5 GLN H 2 5 GLN HE22 . . 5.000 4.850 4.361 5.025 0.025 13 0 "[ . 1 . 2]" 1
743 2 5 GLN H 2 6 ARG H . . 4.000 3.940 3.491 4.044 0.044 8 0 "[ . 1 . 2]" 1
744 2 5 GLN H 2 13 ILE HA . . 5.000 4.104 3.597 4.653 . 0 0 "[ . 1 . 2]" 1
745 2 5 GLN H 2 14 ARG H . . 3.000 2.914 2.644 3.078 0.078 2 0 "[ . 1 . 2]" 1
746 2 5 GLN H 2 15 LEU HA . . 4.000 3.955 3.683 4.110 0.110 11 0 "[ . 1 . 2]" 1
747 2 5 GLN H 2 15 LEU QD . . 5.000 3.308 2.723 3.833 . 0 0 "[ . 1 . 2]" 1
748 2 5 GLN HA 2 6 ARG H . . 2.500 2.160 2.139 2.223 . 0 0 "[ . 1 . 2]" 1
749 2 5 GLN QG 2 6 ARG H . . 5.000 4.337 4.190 4.425 . 0 0 "[ . 1 . 2]" 1
750 2 5 GLN HE21 2 16 THR MG . . 3.000 2.827 2.184 3.031 0.031 13 0 "[ . 1 . 2]" 1
751 2 5 GLN HE22 2 16 THR MG . . 3.000 2.815 2.195 3.017 0.017 18 0 "[ . 1 . 2]" 1
752 2 6 ARG H 2 6 ARG HA . . 3.000 2.841 2.762 2.936 . 0 0 "[ . 1 . 2]" 1
753 2 6 ARG H 2 6 ARG QD . . 3.000 2.146 1.917 2.557 . 0 0 "[ . 1 . 2]" 1
754 2 6 ARG H 2 7 SER H . . 4.500 4.602 4.541 4.638 0.138 5 0 "[ . 1 . 2]" 1
755 2 6 ARG HA 2 6 ARG QD . . 4.000 3.792 3.667 3.946 . 0 0 "[ . 1 . 2]" 1
756 2 6 ARG HA 2 7 SER H . . 2.500 2.437 2.277 2.554 0.054 3 0 "[ . 1 . 2]" 1
757 2 6 ARG HA 2 12 LYS H . . 5.000 4.730 4.165 5.048 0.048 13 0 "[ . 1 . 2]" 1
758 2 6 ARG HA 2 13 ILE HA . . 2.500 2.435 2.178 2.564 0.064 14 0 "[ . 1 . 2]" 1
759 2 6 ARG HA 2 13 ILE MG . . 3.000 3.220 2.520 3.966 0.966 2 6 "[*+ *. 1- .* * 2]" 1
760 2 6 ARG HA 2 14 ARG H . . 4.000 3.155 2.784 3.501 . 0 0 "[ . 1 . 2]" 1
761 2 7 SER H 2 7 SER HA . . 3.000 2.934 2.827 2.948 . 0 0 "[ . 1 . 2]" 1
762 2 7 SER H 2 7 SER HB2 . . 4.000 2.948 2.637 3.832 . 0 0 "[ . 1 . 2]" 1
763 2 7 SER H 2 7 SER HB3 . . 4.000 3.136 2.769 3.934 . 0 0 "[ . 1 . 2]" 1
764 2 7 SER H 2 9 ASN H . . 5.000 4.235 3.966 4.439 . 0 0 "[ . 1 . 2]" 1
765 2 7 SER H 2 12 LYS H . . 4.000 3.596 3.272 3.901 . 0 0 "[ . 1 . 2]" 1
766 2 7 SER HB2 2 9 ASN H . . 5.000 3.951 2.395 5.281 0.281 11 0 "[ . 1 . 2]" 1
767 2 7 SER HB3 2 9 ASN H . . 5.000 2.711 2.231 5.066 0.066 11 0 "[ . 1 . 2]" 1
768 2 8 GLN HA 2 8 GLN HB2 . . 2.500 2.433 2.400 2.899 0.399 11 0 "[ . 1 . 2]" 1
769 2 8 GLN HA 2 8 GLN HB3 . . 2.500 2.503 2.481 2.793 0.293 11 0 "[ . 1 . 2]" 1
770 2 8 GLN HA 2 9 ASN H . . 3.500 3.475 3.443 3.550 0.050 11 0 "[ . 1 . 2]" 1
771 2 8 GLN HB2 2 9 ASN H . . 4.000 3.943 2.586 4.077 0.077 6 0 "[ . 1 . 2]" 1
772 2 8 GLN HB3 2 9 ASN H . . 4.000 3.919 2.116 4.080 0.080 6 0 "[ . 1 . 2]" 1
773 2 8 GLN QG 2 9 ASN H . . 4.000 2.323 2.036 3.909 . 0 0 "[ . 1 . 2]" 1
774 2 9 ASN H 2 9 ASN HA . . 3.000 2.735 2.726 2.787 . 0 0 "[ . 1 . 2]" 1
775 2 9 ASN H 2 9 ASN HB2 . . 3.000 2.163 2.084 2.260 . 0 0 "[ . 1 . 2]" 1
776 2 9 ASN H 2 9 ASN HB3 . . 3.500 3.460 3.374 3.540 0.040 5 0 "[ . 1 . 2]" 1
777 2 9 ASN H 2 9 ASN HD21 . . 5.000 3.719 2.434 4.885 . 0 0 "[ . 1 . 2]" 1
778 2 9 ASN H 2 9 ASN HD22 . . 5.000 4.699 4.081 5.126 0.126 2 0 "[ . 1 . 2]" 1
779 2 9 ASN H 2 12 LYS H . . 5.000 4.609 4.485 4.731 . 0 0 "[ . 1 . 2]" 1
780 2 9 ASN HA 2 9 ASN HB2 . . 3.000 2.927 2.892 2.975 . 0 0 "[ . 1 . 2]" 1
781 2 9 ASN HA 2 9 ASN HB3 . . 3.000 2.756 2.678 2.807 . 0 0 "[ . 1 . 2]" 1
782 2 9 ASN HA 2 10 PRO HG2 . . 5.000 4.647 4.625 4.667 . 0 0 "[ . 1 . 2]" 1
783 2 9 ASN HA 2 10 PRO HG3 . . 5.000 4.578 4.559 4.595 . 0 0 "[ . 1 . 2]" 1
784 2 9 ASN HA 2 10 PRO HD2 . . 3.000 2.563 2.536 2.585 . 0 0 "[ . 1 . 2]" 1
785 2 9 ASN HA 2 10 PRO HD3 . . 3.000 2.377 2.362 2.390 . 0 0 "[ . 1 . 2]" 1
786 2 9 ASN HA 2 11 LEU H . . 4.000 4.089 4.034 4.171 0.171 13 0 "[ . 1 . 2]" 1
787 2 9 ASN HA 2 12 LYS H . . 5.000 5.085 5.029 5.149 0.149 12 0 "[ . 1 . 2]" 1
788 2 9 ASN HB2 2 11 LEU H . . 5.000 3.683 3.535 3.890 . 0 0 "[ . 1 . 2]" 1
789 2 9 ASN HB3 2 11 LEU H . . 5.000 2.197 2.114 2.273 . 0 0 "[ . 1 . 2]" 1
790 2 9 ASN HB2 2 12 LYS H . . 4.000 3.209 2.986 3.457 . 0 0 "[ . 1 . 2]" 1
791 2 9 ASN HB3 2 12 LYS H . . 4.000 2.872 2.723 3.047 . 0 0 "[ . 1 . 2]" 1
792 2 9 ASN HD21 2 12 LYS QE . . 3.000 2.685 1.922 3.027 0.027 18 0 "[ . 1 . 2]" 1
793 2 9 ASN HD22 2 12 LYS QE . . 3.000 2.704 2.295 3.034 0.034 13 0 "[ . 1 . 2]" 1
794 2 10 PRO HA 2 11 LEU H . . 4.000 3.456 3.420 3.487 . 0 0 "[ . 1 . 2]" 1
795 2 10 PRO HD2 2 11 LEU H . . 4.000 2.716 2.674 2.776 . 0 0 "[ . 1 . 2]" 1
796 2 10 PRO HD3 2 11 LEU H . . 4.000 3.879 3.856 3.912 . 0 0 "[ . 1 . 2]" 1
797 2 11 LEU H 2 11 LEU HA . . 3.000 2.807 2.792 2.855 . 0 0 "[ . 1 . 2]" 1
798 2 11 LEU H 2 11 LEU QB . . 3.000 2.938 2.838 2.961 . 0 0 "[ . 1 . 2]" 1
799 2 11 LEU H 2 11 LEU MD2 . . 4.000 4.051 3.950 4.168 0.168 17 0 "[ . 1 . 2]" 1
800 2 11 LEU H 2 12 LYS H . . 3.000 2.530 2.480 2.629 . 0 0 "[ . 1 . 2]" 1
801 2 11 LEU HA 2 11 LEU MD1 . . 4.000 2.311 1.967 2.501 . 0 0 "[ . 1 . 2]" 1
802 2 11 LEU HA 2 11 LEU MD2 . . 4.000 2.112 1.930 2.504 . 0 0 "[ . 1 . 2]" 1
803 2 11 LEU HA 2 12 LYS H . . 2.500 2.566 2.535 2.596 0.096 16 0 "[ . 1 . 2]" 1
804 2 11 LEU MD1 2 12 LYS H . . 4.000 3.781 3.613 3.915 . 0 0 "[ . 1 . 2]" 1
805 2 11 LEU MD2 2 12 LYS H . . 5.500 4.384 4.212 4.667 . 0 0 "[ . 1 . 2]" 1
806 2 12 LYS H 2 12 LYS HA . . 3.000 2.943 2.933 2.947 . 0 0 "[ . 1 . 2]" 1
807 2 12 LYS H 2 12 LYS QE . . 5.000 4.931 4.602 5.173 0.173 15 0 "[ . 1 . 2]" 1
808 2 12 LYS H 2 13 ILE H . . 4.500 4.260 3.988 4.482 . 0 0 "[ . 1 . 2]" 1
809 2 12 LYS HA 2 12 LYS HB2 . . 3.000 2.444 2.356 2.505 . 0 0 "[ . 1 . 2]" 1
810 2 12 LYS HA 2 12 LYS HB3 . . 3.000 3.022 3.009 3.025 0.025 3 0 "[ . 1 . 2]" 1
811 2 12 LYS HA 2 12 LYS QG . . 3.000 2.519 2.438 2.578 . 0 0 "[ . 1 . 2]" 1
812 2 12 LYS HA 2 13 ILE H . . 2.500 2.161 2.140 2.237 . 0 0 "[ . 1 . 2]" 1
813 2 13 ILE H 2 13 ILE HA . . 3.000 2.935 2.892 2.949 . 0 0 "[ . 1 . 2]" 1
814 2 13 ILE HA 2 14 ARG H . . 2.500 2.146 2.139 2.157 . 0 0 "[ . 1 . 2]" 1
815 2 14 ARG H 2 14 ARG HA . . 3.000 2.906 2.885 2.947 . 0 0 "[ . 1 . 2]" 1
816 2 14 ARG H 2 15 LEU H . . 5.000 4.243 4.069 4.326 . 0 0 "[ . 1 . 2]" 1
817 2 14 ARG HA 2 14 ARG QD . . 4.000 3.100 2.743 3.520 . 0 0 "[ . 1 . 2]" 1
818 2 14 ARG HA 2 15 LEU H . . 2.500 2.177 2.154 2.212 . 0 0 "[ . 1 . 2]" 1
819 2 14 ARG QD 2 14 ARG HE . . 2.500 2.273 2.187 2.491 . 0 0 "[ . 1 . 2]" 1
820 2 14 ARG HE 2 16 THR MG . . 4.000 3.615 2.535 4.028 0.028 2 0 "[ . 1 . 2]" 1
821 2 15 LEU H 2 15 LEU HA . . 3.000 2.915 2.890 2.935 . 0 0 "[ . 1 . 2]" 1
822 2 15 LEU H 2 15 LEU QD . . 4.000 2.283 1.897 2.575 . 0 0 "[ . 1 . 2]" 1
823 2 15 LEU H 2 16 THR H . . 5.000 4.539 4.506 4.590 . 0 0 "[ . 1 . 2]" 1
824 2 15 LEU HA 2 16 THR H . . 2.500 2.195 2.175 2.233 . 0 0 "[ . 1 . 2]" 1
825 2 15 LEU QD 2 16 THR H . . 4.000 3.471 2.347 3.921 . 0 0 "[ . 1 . 2]" 1
826 2 16 THR H 2 16 THR HA . . 3.000 2.913 2.902 2.925 . 0 0 "[ . 1 . 2]" 1
827 2 16 THR H 2 16 THR HB . . 4.000 3.959 3.917 3.975 . 0 0 "[ . 1 . 2]" 1
828 2 16 THR H 2 16 THR MG . . 4.000 2.940 2.809 3.141 . 0 0 "[ . 1 . 2]" 1
829 2 16 THR H 2 17 ARG H . . 5.000 4.328 4.299 4.363 . 0 0 "[ . 1 . 2]" 1
830 2 16 THR HA 2 16 THR HB . . 2.500 2.392 2.361 2.457 . 0 0 "[ . 1 . 2]" 1
831 2 16 THR HA 2 16 THR MG . . 3.000 2.412 2.265 2.497 . 0 0 "[ . 1 . 2]" 1
832 2 16 THR HB 2 17 ARG H . . 3.000 2.896 2.806 2.961 . 0 0 "[ . 1 . 2]" 1
833 2 16 THR MG 2 17 ARG H . . 4.000 3.984 3.866 4.039 0.039 6 0 "[ . 1 . 2]" 1
834 2 17 ARG H 2 17 ARG HA . . 3.000 2.744 2.724 2.758 . 0 0 "[ . 1 . 2]" 1
835 1 18 TYR HA 2 11 LEU MD2 . . 5.500 3.881 3.030 4.234 . 0 0 "[ . 1 . 2]" 1
836 1 18 TYR QB 2 10 PRO HA . . 5.500 5.474 5.018 5.644 0.144 13 0 "[ . 1 . 2]" 1
837 1 18 TYR QB 2 11 LEU HB2 . . 5.500 3.764 3.048 4.168 . 0 0 "[ . 1 . 2]" 1
838 1 18 TYR QB 2 10 PRO HG3 . . 5.500 5.566 5.402 5.675 0.175 18 0 "[ . 1 . 2]" 1
839 1 18 TYR QB 2 11 LEU MD2 . . 5.340 3.257 1.960 3.744 . 0 0 "[ . 1 . 2]" 1
840 1 21 LYS H 2 11 LEU MD1 . . 5.500 5.453 4.428 5.640 0.140 20 0 "[ . 1 . 2]" 1
841 1 21 LYS H 2 11 LEU MD2 . . 5.500 5.086 4.506 5.430 . 0 0 "[ . 1 . 2]" 1
842 1 21 LYS HA 2 11 LEU MD2 . . 5.500 5.134 4.482 5.500 . 20 0 "[ . 1 . 2]" 1
843 1 21 LYS HA 2 11 LEU MD1 . . 5.500 4.242 3.778 4.696 . 0 0 "[ . 1 . 2]" 1
844 1 21 LYS QB 2 11 LEU MD1 . . 5.340 2.872 1.969 3.562 . 0 0 "[ . 1 . 2]" 1
845 1 21 LYS QB 2 11 LEU MD2 . . 5.340 3.339 2.370 4.098 . 0 0 "[ . 1 . 2]" 1
846 1 21 LYS QG 2 11 LEU MD1 . . 5.500 4.094 3.388 4.897 . 0 0 "[ . 1 . 2]" 1
847 1 21 LYS QG 2 11 LEU MD2 . . 5.500 4.517 2.537 5.512 0.012 20 0 "[ . 1 . 2]" 1
848 1 22 ARG H 2 11 LEU HB2 . . 5.500 5.278 4.817 5.651 0.151 16 0 "[ . 1 . 2]" 1
849 1 22 ARG H 2 11 LEU HG . . 5.500 3.361 2.813 4.068 . 0 0 "[ . 1 . 2]" 1
850 1 22 ARG H 2 11 LEU MD1 . . 5.500 4.037 3.374 4.499 . 0 0 "[ . 1 . 2]" 1
851 1 22 ARG H 2 11 LEU MD2 . . 5.500 3.106 2.561 3.472 . 0 0 "[ . 1 . 2]" 1
852 1 22 ARG HA 2 11 LEU HA . . 5.500 5.049 4.681 5.274 . 0 0 "[ . 1 . 2]" 1
853 1 22 ARG HA 2 11 LEU HB2 . . 5.500 5.035 4.703 5.579 0.079 18 0 "[ . 1 . 2]" 1
854 1 22 ARG HA 2 11 LEU MD1 . . 5.500 2.668 2.054 3.221 . 0 0 "[ . 1 . 2]" 1
855 1 22 ARG HA 2 11 LEU MD2 . . 5.500 1.943 1.877 2.138 . 0 0 "[ . 1 . 2]" 1
856 1 22 ARG QB 2 11 LEU HG . . 5.500 3.921 3.166 5.097 . 0 0 "[ . 1 . 2]" 1
857 1 22 ARG QB 2 11 LEU MD1 . . 5.340 4.027 3.426 4.889 . 0 0 "[ . 1 . 2]" 1
858 1 22 ARG QB 2 11 LEU MD2 . . 5.340 2.354 1.869 3.267 . 0 0 "[ . 1 . 2]" 1
859 1 22 ARG QG 2 11 LEU MD1 . . 5.340 4.921 3.604 5.428 0.088 3 0 "[ . 1 . 2]" 1
860 1 22 ARG QG 2 11 LEU MD2 . . 5.500 3.582 1.794 4.093 . 0 0 "[ . 1 . 2]" 1
861 1 22 ARG QD 2 11 LEU MD1 . . 5.500 5.101 3.895 5.574 0.074 13 0 "[ . 1 . 2]" 1
862 1 22 ARG QD 2 11 LEU MD2 . . 5.500 3.801 2.676 4.511 . 0 0 "[ . 1 . 2]" 1
863 1 23 GLN H 2 11 LEU MD2 . . 5.500 4.741 4.497 4.874 . 0 0 "[ . 1 . 2]" 1
864 1 24 LEU H 2 11 LEU MD1 . . 5.500 4.784 4.306 5.561 0.061 18 0 "[ . 1 . 2]" 1
865 1 25 SER H 2 11 LEU MD1 . . 5.500 3.271 2.791 3.912 . 0 0 "[ . 1 . 2]" 1
866 1 25 SER H 2 11 LEU MD2 . . 5.500 4.583 3.961 5.381 . 0 0 "[ . 1 . 2]" 1
867 1 25 SER H 2 13 ILE QG . . 5.500 4.940 4.141 5.198 . 0 0 "[ . 1 . 2]" 1
868 1 25 SER H 2 13 ILE MD . . 5.500 4.456 3.694 5.162 . 0 0 "[ . 1 . 2]" 1
869 1 25 SER HA 2 11 LEU MD1 . . 5.500 3.971 3.442 4.883 . 0 0 "[ . 1 . 2]" 1
870 1 25 SER HA 2 13 ILE MG . . 5.500 3.503 2.798 4.109 . 0 0 "[ . 1 . 2]" 1
871 1 25 SER HA 2 13 ILE MD . . 5.500 3.008 1.922 4.170 . 0 0 "[ . 1 . 2]" 1
872 1 25 SER QB 2 6 ARG HB3 . . 5.500 5.357 4.187 5.608 0.108 18 0 "[ . 1 . 2]" 1
873 1 25 SER QB 2 11 LEU HA . . 5.500 4.703 4.226 5.399 . 0 0 "[ . 1 . 2]" 1
874 1 25 SER QB 2 11 LEU MD1 . . 5.500 2.127 1.844 2.734 . 0 0 "[ . 1 . 2]" 1
875 1 25 SER QB 2 11 LEU MD2 . . 5.500 3.403 2.505 4.307 . 0 0 "[ . 1 . 2]" 1
876 1 25 SER QB 2 13 ILE MG . . 5.500 2.804 1.826 4.110 . 0 0 "[ . 1 . 2]" 1
877 1 25 SER QB 2 13 ILE MD . . 5.500 2.949 2.096 3.863 . 0 0 "[ . 1 . 2]" 1
878 1 28 ILE MG 2 4 VAL HB . . 5.500 5.173 4.553 5.534 0.034 3 0 "[ . 1 . 2]" 1
879 1 28 ILE MG 2 4 VAL MG2 . . 5.500 4.115 3.235 4.927 . 0 0 "[ . 1 . 2]" 1
880 1 28 ILE MG 2 15 LEU QD . . 5.500 3.205 2.566 4.039 . 0 0 "[ . 1 . 2]" 1
881 1 29 ASN HA 2 4 VAL HB . . 5.500 4.148 3.620 5.344 . 0 0 "[ . 1 . 2]" 1
882 1 29 ASN HA 2 4 VAL MG2 . . 5.500 4.020 2.963 4.819 . 0 0 "[ . 1 . 2]" 1
883 1 29 ASN QB 2 4 VAL HB . . 5.500 4.098 3.454 5.250 . 0 0 "[ . 1 . 2]" 1
884 1 29 ASN QB 2 4 VAL MG2 . . 5.500 3.602 2.562 4.806 . 0 0 "[ . 1 . 2]" 1
885 1 29 ASN QB 2 4 VAL MG1 . . 5.500 3.124 2.089 4.816 . 0 0 "[ . 1 . 2]" 1
886 1 29 ASN QB 2 6 ARG HD2 . . 5.500 5.421 4.577 5.579 0.079 20 0 "[ . 1 . 2]" 1
887 1 29 ASN HD21 2 4 VAL MG2 . . 5.500 4.208 3.137 5.297 . 0 0 "[ . 1 . 2]" 1
888 1 29 ASN HD22 2 4 VAL MG2 . . 5.500 4.701 1.899 5.510 0.010 15 0 "[ . 1 . 2]" 1
889 1 33 GLY H 2 1 THR MG . . 5.500 3.008 2.007 3.811 . 0 0 "[ . 1 . 2]" 1
890 1 33 GLY QA 2 1 THR MG . . 5.500 2.026 1.861 2.475 . 0 0 "[ . 1 . 2]" 1
891 1 34 GLU H 2 1 THR MG . . 5.500 3.805 3.131 4.396 . 0 0 "[ . 1 . 2]" 1
892 1 34 GLU HA 2 1 THR MG . . 5.500 4.898 4.167 5.508 0.008 19 0 "[ . 1 . 2]" 1
893 1 34 GLU QB 2 1 THR MG . . 5.500 4.884 4.155 5.416 . 0 0 "[ . 1 . 2]" 1
894 1 36 LEU QB 2 2 TRP HB2 . . 5.500 2.830 2.298 3.385 . 0 0 "[ . 1 . 2]" 1
895 1 36 LEU QB 2 2 TRP HD1 . . 5.500 4.693 4.146 5.180 . 0 0 "[ . 1 . 2]" 1
896 1 36 LEU MD1 2 2 TRP HB2 . . 5.500 3.858 2.547 4.683 . 0 0 "[ . 1 . 2]" 1
897 1 36 LEU MD1 2 2 TRP HB3 . . 5.500 3.491 1.928 4.147 . 0 0 "[ . 1 . 2]" 1
898 1 36 LEU MD1 2 2 TRP HE3 . . 5.500 4.457 2.910 4.909 . 0 0 "[ . 1 . 2]" 1
899 1 36 LEU MD1 2 4 VAL HB . . 5.500 3.307 2.737 4.018 . 0 0 "[ . 1 . 2]" 1
900 1 36 LEU MD1 2 4 VAL MG1 . . 5.500 3.778 3.328 4.320 . 0 0 "[ . 1 . 2]" 1
901 1 36 LEU MD1 2 4 VAL MG2 . . 5.500 3.088 1.708 4.109 . 0 0 "[ . 1 . 2]" 1
902 1 36 LEU MD1 2 13 ILE MG . . 5.500 5.015 4.524 5.192 . 0 0 "[ . 1 . 2]" 1
903 1 36 LEU MD1 2 15 LEU HA . . 5.500 4.864 4.279 5.538 0.038 16 0 "[ . 1 . 2]" 1
904 1 36 LEU MD1 2 15 LEU HB3 . . 5.500 4.587 3.994 5.433 . 0 0 "[ . 1 . 2]" 1
905 1 36 LEU MD1 2 15 LEU HG . . 5.500 3.195 2.548 3.901 . 0 0 "[ . 1 . 2]" 1
906 1 36 LEU MD1 2 15 LEU QD . . 4.500 2.750 1.815 3.772 . 0 0 "[ . 1 . 2]" 1
907 1 36 LEU MD2 2 2 TRP HB2 . . 5.500 2.656 2.232 4.069 . 0 0 "[ . 1 . 2]" 1
908 1 36 LEU MD2 2 2 TRP HE3 . . 5.500 2.403 2.100 2.919 . 0 0 "[ . 1 . 2]" 1
909 1 36 LEU MD2 2 2 TRP HH2 . . 5.500 5.224 4.850 5.553 0.053 10 0 "[ . 1 . 2]" 1
910 1 36 LEU MD2 2 4 VAL HB . . 5.500 4.088 3.255 5.116 . 0 0 "[ . 1 . 2]" 1
911 1 36 LEU MD2 2 4 VAL MG1 . . 5.500 4.588 3.990 5.279 . 0 0 "[ . 1 . 2]" 1
912 1 36 LEU MD2 2 15 LEU HA . . 5.500 3.688 3.252 4.095 . 0 0 "[ . 1 . 2]" 1
913 1 36 LEU MD2 2 15 LEU HB2 . . 5.500 3.769 3.256 4.182 . 0 0 "[ . 1 . 2]" 1
914 1 36 LEU MD2 2 15 LEU HB3 . . 5.500 2.585 2.027 3.068 . 0 0 "[ . 1 . 2]" 1
915 1 36 LEU MD2 2 15 LEU QD . . 4.500 2.067 1.815 2.601 . 0 0 "[ . 1 . 2]" 1
916 1 37 GLY H 2 2 TRP HD1 . . 5.500 4.693 4.174 5.146 . 0 0 "[ . 1 . 2]" 1
917 1 37 GLY QA 2 2 TRP HD1 . . 5.340 4.018 3.394 4.532 . 0 0 "[ . 1 . 2]" 1
918 1 37 GLY QA 2 2 TRP HE3 . . 5.340 5.057 4.420 5.409 0.069 4 0 "[ . 1 . 2]" 1
919 1 37 GLY QA 2 2 TRP HH2 . . 5.340 5.353 5.154 5.472 0.132 19 0 "[ . 1 . 2]" 1
920 1 40 VAL H 2 15 LEU QD . . 4.500 3.997 2.691 4.856 0.356 6 0 "[ . 1 . 2]" 1
921 1 40 VAL HA 2 15 LEU QD . . 4.500 3.259 2.176 4.447 . 0 0 "[ . 1 . 2]" 1
922 1 40 VAL HA 2 2 TRP HZ3 . . 5.500 5.530 5.041 5.726 0.226 7 0 "[ . 1 . 2]" 1
923 1 40 VAL HB 2 2 TRP HH2 . . 5.500 4.116 3.793 4.356 . 0 0 "[ . 1 . 2]" 1
924 1 40 VAL HB 2 2 TRP HZ2 . . 5.500 5.189 4.545 5.622 0.122 10 0 "[ . 1 . 2]" 1
925 1 40 VAL MG1 2 2 TRP HE3 . . 5.500 3.411 2.997 4.063 . 0 0 "[ . 1 . 2]" 1
926 1 40 VAL MG1 2 2 TRP HZ2 . . 5.500 4.361 3.162 5.526 0.026 12 0 "[ . 1 . 2]" 1
927 1 40 VAL MG1 2 2 TRP HZ3 . . 5.500 3.002 2.254 3.646 . 0 0 "[ . 1 . 2]" 1
928 1 40 VAL MG1 2 15 LEU HA . . 5.500 4.711 4.138 5.624 0.124 11 0 "[ . 1 . 2]" 1
929 1 40 VAL MG1 2 15 LEU HB2 . . 5.500 2.978 1.949 4.488 . 0 0 "[ . 1 . 2]" 1
930 1 40 VAL MG1 2 15 LEU QD . . 4.500 2.737 1.779 3.496 . 0 0 "[ . 1 . 2]" 1
931 1 40 VAL MG1 2 4 VAL MG2 . . 5.500 5.139 5.000 5.364 . 0 0 "[ . 1 . 2]" 1
932 1 40 VAL MG2 2 2 TRP HH2 . . 5.500 3.311 2.073 4.427 . 0 0 "[ . 1 . 2]" 1
933 1 40 VAL MG2 2 2 TRP HZ2 . . 5.500 4.019 3.309 5.211 . 0 0 "[ . 1 . 2]" 1
934 1 40 VAL MG2 2 2 TRP HZ3 . . 5.500 3.007 1.991 3.699 . 0 0 "[ . 1 . 2]" 1
935 1 40 VAL MG2 2 15 LEU HB2 . . 5.500 3.393 2.466 4.831 . 0 0 "[ . 1 . 2]" 1
936 1 40 VAL MG2 2 15 LEU QD . . 4.500 3.159 1.782 4.303 . 0 0 "[ . 1 . 2]" 1
937 1 43 ILE MD 2 15 LEU QD . . 4.500 3.380 2.652 4.131 . 0 0 "[ . 1 . 2]" 1
938 1 43 ILE MD 2 13 ILE MD . . 5.500 3.929 3.025 4.586 . 0 0 "[ . 1 . 2]" 1
939 1 44 GLN HE21 2 2 TRP HH2 . . 5.500 3.758 3.479 4.077 . 0 0 "[ . 1 . 2]" 1
940 1 44 GLN HE21 2 2 TRP HZ3 . . 5.500 5.100 4.655 5.499 . 0 0 "[ . 1 . 2]" 1
941 1 44 GLN HE22 2 2 TRP HH2 . . 5.500 3.249 2.615 3.762 . 0 0 "[ . 1 . 2]" 1
942 1 44 GLN HE22 2 2 TRP HZ2 . . 5.500 3.764 3.487 3.947 . 0 0 "[ . 1 . 2]" 1
943 1 44 GLN HE22 2 17 ARG QG . . 5.340 5.392 5.240 5.484 0.144 15 0 "[ . 1 . 2]" 1
944 1 54 ASN HD22 2 16 THR HA . . 5.500 5.592 5.503 5.787 0.287 7 0 "[ . 1 . 2]" 1
945 1 56 ASP H 2 17 ARG HG3 . . 5.500 4.806 4.301 5.143 . 0 0 "[ . 1 . 2]" 1
946 1 56 ASP H 2 17 ARG HD2 . . 5.500 4.996 2.934 5.538 0.038 11 0 "[ . 1 . 2]" 1
947 1 56 ASP H 2 17 ARG HD3 . . 5.500 3.807 3.164 4.022 . 0 0 "[ . 1 . 2]" 1
948 1 56 ASP H 2 17 ARG HE . . 5.500 5.477 4.912 5.572 0.072 7 0 "[ . 1 . 2]" 1
949 1 56 ASP HA 2 17 ARG H . . 5.500 2.763 2.092 3.145 . 0 0 "[ . 1 . 2]" 1
950 1 56 ASP HA 2 2 TRP HH2 . . 5.500 4.054 3.695 4.727 . 0 0 "[ . 1 . 2]" 1
951 1 56 ASP HA 2 2 TRP HZ2 . . 5.500 3.811 3.432 4.594 . 0 0 "[ . 1 . 2]" 1
952 1 56 ASP HA 2 2 TRP HZ3 . . 5.500 5.476 5.182 5.679 0.179 16 0 "[ . 1 . 2]" 1
953 1 56 ASP HA 2 17 ARG HA . . 5.500 4.475 3.940 4.867 . 0 0 "[ . 1 . 2]" 1
954 1 56 ASP HA 2 17 ARG HB2 . . 5.340 2.667 1.969 3.278 . 0 0 "[ . 1 . 2]" 1
955 1 56 ASP HA 2 17 ARG HB3 . . 5.500 4.038 3.494 4.537 . 0 0 "[ . 1 . 2]" 1
956 1 56 ASP HA 2 17 ARG HG2 . . 5.500 3.665 3.478 3.893 . 0 0 "[ . 1 . 2]" 1
957 1 56 ASP HA 2 17 ARG HG3 . . 5.500 2.081 1.949 2.266 . 0 0 "[ . 1 . 2]" 1
958 1 57 GLU H 2 2 TRP HH2 . . 5.500 4.429 4.274 4.570 . 0 0 "[ . 1 . 2]" 1
959 1 57 GLU H 2 2 TRP HZ2 . . 5.500 5.626 5.519 5.711 0.211 17 0 "[ . 1 . 2]" 1
960 1 57 GLU H 2 2 TRP HZ3 . . 5.500 5.622 5.532 5.748 0.248 9 0 "[ . 1 . 2]" 1
961 1 57 GLU H 2 16 THR HA . . 5.500 4.439 4.227 4.617 . 0 0 "[ . 1 . 2]" 1
962 1 57 GLU H 2 16 THR MG . . 5.500 4.604 4.371 4.781 . 0 0 "[ . 1 . 2]" 1
963 1 57 GLU H 2 17 ARG QB . . 5.500 5.225 4.916 5.565 0.065 11 0 "[ . 1 . 2]" 1
964 1 57 GLU H 2 17 ARG HD3 . . 5.500 5.090 4.455 5.563 0.063 7 0 "[ . 1 . 2]" 1
965 1 57 GLU HA 2 2 TRP HH2 . . 5.500 4.691 4.282 5.322 . 0 0 "[ . 1 . 2]" 1
966 1 57 GLU HA 2 2 TRP HZ3 . . 5.500 4.457 4.123 4.975 . 0 0 "[ . 1 . 2]" 1
967 1 57 GLU HA 2 16 THR HA . . 4.500 2.545 2.242 2.865 . 0 0 "[ . 1 . 2]" 1
968 1 57 GLU HA 2 16 THR HB . . 5.500 2.834 2.611 3.229 . 0 0 "[ . 1 . 2]" 1
969 1 57 GLU HA 2 16 THR MG . . 5.500 2.004 1.909 2.249 . 0 0 "[ . 1 . 2]" 1
970 1 57 GLU HA 2 17 ARG QB . . 5.500 5.349 5.095 5.576 0.076 19 0 "[ . 1 . 2]" 1
971 1 57 GLU HA 2 17 ARG QG . . 5.500 5.311 4.946 5.594 0.094 19 0 "[ . 1 . 2]" 1
972 1 57 GLU QB 2 14 ARG HD2 . . 5.500 5.427 4.830 5.533 0.033 1 0 "[ . 1 . 2]" 1
973 1 57 GLU QB 2 16 THR HA . . 5.500 4.490 4.221 4.800 . 0 0 "[ . 1 . 2]" 1
974 1 57 GLU QB 2 16 THR HB . . 5.500 3.789 3.475 4.322 . 0 0 "[ . 1 . 2]" 1
975 1 57 GLU QB 2 16 THR MG . . 5.340 3.235 3.005 3.506 . 0 0 "[ . 1 . 2]" 1
976 1 57 GLU QG 2 14 ARG QB . . 5.500 4.865 4.029 5.593 0.093 16 0 "[ . 1 . 2]" 1
977 1 57 GLU QG 2 14 ARG QG . . 5.500 4.355 3.077 5.505 0.005 11 0 "[ . 1 . 2]" 1
978 1 57 GLU QG 2 14 ARG QD . . 5.500 3.253 2.632 4.093 . 0 0 "[ . 1 . 2]" 1
979 1 57 GLU QG 2 16 THR HB . . 5.500 3.832 2.623 4.758 . 0 0 "[ . 1 . 2]" 1
980 1 57 GLU QG 2 16 THR HA . . 5.340 4.339 3.662 4.924 . 0 0 "[ . 1 . 2]" 1
981 1 57 GLU QG 2 16 THR MG . . 5.340 2.245 1.751 2.924 . 0 0 "[ . 1 . 2]" 1
982 1 58 ILE H 2 2 TRP HH2 . . 5.500 4.799 4.449 5.083 . 0 0 "[ . 1 . 2]" 1
983 1 58 ILE H 2 2 TRP HZ3 . . 5.500 3.982 3.681 4.249 . 0 0 "[ . 1 . 2]" 1
984 1 58 ILE H 2 14 ARG HA . . 5.500 4.847 4.667 5.142 . 0 0 "[ . 1 . 2]" 1
985 1 58 ILE H 2 15 LEU H . . 5.500 4.025 3.846 4.344 . 0 0 "[ . 1 . 2]" 1
986 1 58 ILE H 2 15 LEU HB2 . . 5.500 4.604 4.344 4.937 . 0 0 "[ . 1 . 2]" 1
987 1 58 ILE H 2 15 LEU QD . . 5.500 5.131 4.946 5.398 . 0 0 "[ . 1 . 2]" 1
988 1 58 ILE H 2 16 THR HA . . 5.500 3.266 3.020 3.521 . 0 0 "[ . 1 . 2]" 1
989 1 58 ILE H 2 16 THR HB . . 5.500 4.317 4.019 4.627 . 0 0 "[ . 1 . 2]" 1
990 1 58 ILE H 2 16 THR MG . . 5.500 2.135 1.913 2.340 . 0 0 "[ . 1 . 2]" 1
991 1 58 ILE HA 2 15 LEU HB2 . . 5.500 5.580 5.396 5.665 0.165 15 0 "[ . 1 . 2]" 1
992 1 58 ILE QG 2 2 TRP HZ3 . . 5.500 4.710 4.298 5.096 . 0 0 "[ . 1 . 2]" 1
993 1 58 ILE QG 2 2 TRP HH2 . . 5.500 4.186 3.583 4.568 . 0 0 "[ . 1 . 2]" 1
994 1 58 ILE QG 2 15 LEU HB2 . . 5.500 4.753 4.508 4.850 . 0 0 "[ . 1 . 2]" 1
995 1 58 ILE QG 2 15 LEU QD . . 4.500 4.949 4.685 5.373 0.873 15 5 "[ * 1 -+ **]" 1
996 1 58 ILE MD 2 2 TRP HZ3 . . 5.500 4.294 3.319 5.046 . 0 0 "[ . 1 . 2]" 1
997 1 58 ILE MD 2 2 TRP HH2 . . 5.500 4.333 3.083 5.508 0.008 14 0 "[ . 1 . 2]" 1
998 1 58 ILE MD 2 15 LEU HB2 . . 5.500 3.652 3.447 3.959 . 0 0 "[ . 1 . 2]" 1
999 1 58 ILE MD 2 15 LEU HG . . 5.500 5.509 5.018 5.886 0.386 17 0 "[ . 1 . 2]" 1
1000 1 58 ILE MD 2 15 LEU QD . . 4.500 3.732 3.286 4.488 . 0 0 "[ . 1 . 2]" 1
1001 1 58 ILE MG 2 2 TRP HH2 . . 5.500 4.134 3.712 4.478 . 0 0 "[ . 1 . 2]" 1
1002 1 58 ILE MG 2 15 LEU HA . . 5.500 3.687 3.494 3.825 . 0 0 "[ . 1 . 2]" 1
1003 1 58 ILE MG 2 15 LEU HB2 . . 5.500 1.812 1.740 1.873 . 0 0 "[ . 1 . 2]" 1
1004 1 58 ILE MG 2 2 TRP HZ3 . . 5.500 3.032 2.718 3.521 . 0 0 "[ . 1 . 2]" 1
1005 1 58 ILE MG 2 15 LEU HG . . 5.500 4.016 3.697 4.279 . 0 0 "[ . 1 . 2]" 1
1006 1 58 ILE MG 2 15 LEU QD . . 5.500 2.591 2.302 3.038 . 0 0 "[ . 1 . 2]" 1
1007 1 59 GLU H 2 14 ARG HA . . 5.500 5.063 4.759 5.352 . 0 0 "[ . 1 . 2]" 1
1008 1 59 GLU H 2 14 ARG QG . . 5.340 5.043 4.527 5.388 0.048 6 0 "[ . 1 . 2]" 1
1009 1 59 GLU H 2 14 ARG QD . . 5.500 4.464 3.913 5.207 . 0 0 "[ . 1 . 2]" 1
1010 1 59 GLU HA 2 12 LYS QG . . 5.500 4.339 4.051 4.617 . 0 0 "[ . 1 . 2]" 1
1011 1 59 GLU HA 2 14 ARG H . . 5.500 5.190 4.789 5.637 0.137 1 0 "[ . 1 . 2]" 1
1012 1 59 GLU HA 2 14 ARG HA . . 5.500 2.632 2.363 3.019 . 0 0 "[ . 1 . 2]" 1
1013 1 59 GLU HA 2 14 ARG HD2 . . 5.500 3.060 2.479 3.541 . 0 0 "[ . 1 . 2]" 1
1014 1 59 GLU HA 2 14 ARG HE . . 5.500 5.264 4.651 5.521 0.021 13 0 "[ . 1 . 2]" 1
1015 1 59 GLU HA 2 14 ARG QB . . 5.340 3.826 3.216 4.287 . 0 0 "[ . 1 . 2]" 1
1016 1 59 GLU HA 2 14 ARG QG . . 5.340 2.753 1.981 3.708 . 0 0 "[ . 1 . 2]" 1
1017 1 59 GLU HA 2 15 LEU QD . . 5.500 4.929 4.090 5.456 . 0 0 "[ . 1 . 2]" 1
1018 1 59 GLU QB 2 12 LYS HG3 . . 5.500 5.307 4.955 5.586 0.086 3 0 "[ . 1 . 2]" 1
1019 1 59 GLU QB 2 12 LYS HE2 . . 5.500 5.215 4.275 5.534 0.034 15 0 "[ . 1 . 2]" 1
1020 1 59 GLU QB 2 14 ARG HA . . 5.500 4.674 4.327 4.952 . 0 0 "[ . 1 . 2]" 1
1021 1 59 GLU QB 2 14 ARG QB . . 5.180 4.979 4.246 5.252 0.072 3 0 "[ . 1 . 2]" 1
1022 1 59 GLU QB 2 14 ARG QD . . 5.180 2.968 1.889 3.486 . 0 0 "[ . 1 . 2]" 1
1023 1 59 GLU QB 2 14 ARG QG . . 4.760 3.934 3.039 4.782 0.022 18 0 "[ . 1 . 2]" 1
1024 1 59 GLU QG 2 12 LYS QB . . 5.500 4.891 4.514 5.514 0.014 3 0 "[ . 1 . 2]" 1
1025 1 59 GLU QG 2 12 LYS QG . . 5.500 3.191 2.827 3.697 . 0 0 "[ . 1 . 2]" 1
1026 1 59 GLU QG 2 14 ARG HA . . 5.340 3.954 3.423 4.561 . 0 0 "[ . 1 . 2]" 1
1027 1 59 GLU QG 2 14 ARG HD2 . . 5.000 3.284 2.281 4.075 . 0 0 "[ . 1 . 2]" 1
1028 1 59 GLU QG 2 14 ARG HE . . 5.340 4.728 3.460 5.361 0.021 7 0 "[ . 1 . 2]" 1
1029 1 59 GLU QG 2 14 ARG QG . . 4.760 3.023 1.943 4.764 0.004 1 0 "[ . 1 . 2]" 1
1030 1 60 ILE H 2 12 LYS HA . . 5.500 5.259 5.170 5.438 . 0 0 "[ . 1 . 2]" 1
1031 1 60 ILE H 2 12 LYS HG2 . . 5.500 4.189 3.587 5.431 . 0 0 "[ . 1 . 2]" 1
1032 1 60 ILE H 2 12 LYS HG3 . . 5.500 4.421 3.953 4.880 . 0 0 "[ . 1 . 2]" 1
1033 1 60 ILE H 2 13 ILE H . . 5.500 4.131 3.503 4.699 . 0 0 "[ . 1 . 2]" 1
1034 1 60 ILE H 2 13 ILE QG . . 5.500 5.016 3.980 6.131 0.631 1 3 "[+* . 1 .- 2]" 1
1035 1 60 ILE H 2 14 ARG HA . . 5.500 2.645 2.371 2.838 . 0 0 "[ . 1 . 2]" 1
1036 1 60 ILE H 2 14 ARG QB . . 5.340 4.484 3.995 4.853 . 0 0 "[ . 1 . 2]" 1
1037 1 60 ILE H 2 14 ARG QG . . 5.500 3.853 3.000 4.781 . 0 0 "[ . 1 . 2]" 1
1038 1 60 ILE H 2 14 ARG HD2 . . 5.500 4.880 4.367 5.228 . 0 0 "[ . 1 . 2]" 1
1039 1 60 ILE H 2 15 LEU H . . 5.500 3.431 3.162 3.681 . 0 0 "[ . 1 . 2]" 1
1040 1 60 ILE H 2 15 LEU QD . . 5.500 3.858 2.944 4.393 . 0 0 "[ . 1 . 2]" 1
1041 1 60 ILE HA 2 12 LYS HG3 . . 5.500 4.989 4.685 5.543 0.043 18 0 "[ . 1 . 2]" 1
1042 1 60 ILE HA 2 15 LEU QD . . 5.500 5.121 4.308 5.698 0.198 14 0 "[ . 1 . 2]" 1
1043 1 60 ILE HB 2 12 LYS QG . . 5.500 4.174 3.954 4.583 . 0 0 "[ . 1 . 2]" 1
1044 1 60 ILE HB 2 13 ILE HB . . 5.500 3.453 2.378 4.416 . 0 0 "[ . 1 . 2]" 1
1045 1 60 ILE HB 2 13 ILE MD . . 5.500 2.779 1.851 3.400 . 0 0 "[ . 1 . 2]" 1
1046 1 60 ILE HB 2 13 ILE MG . . 5.500 4.529 3.969 5.150 . 0 0 "[ . 1 . 2]" 1
1047 1 60 ILE HB 2 15 LEU QD . . 5.500 3.356 2.214 4.022 . 0 0 "[ . 1 . 2]" 1
1048 1 60 ILE QG 2 13 ILE MD . . 5.500 3.803 3.110 4.571 . 0 0 "[ . 1 . 2]" 1
1049 1 60 ILE QG 2 15 LEU HB2 . . 5.500 3.507 3.135 5.065 . 0 0 "[ . 1 . 2]" 1
1050 1 60 ILE QG 2 15 LEU QD . . 4.500 2.726 1.710 3.499 . 0 0 "[ . 1 . 2]" 1
1051 1 60 ILE MD 2 13 ILE HB . . 5.500 3.300 1.944 5.177 . 0 0 "[ . 1 . 2]" 1
1052 1 60 ILE MD 2 13 ILE QG . . 5.500 3.612 2.584 5.693 0.193 7 0 "[ . 1 . 2]" 1
1053 1 60 ILE MD 2 13 ILE MD . . 5.500 2.525 1.872 4.086 . 0 0 "[ . 1 . 2]" 1
1054 1 60 ILE MD 2 14 ARG HA . . 5.500 4.341 2.923 5.109 . 0 0 "[ . 1 . 2]" 1
1055 1 60 ILE MD 2 15 LEU HB2 . . 5.500 2.822 2.105 3.669 . 0 0 "[ . 1 . 2]" 1
1056 1 60 ILE MD 2 15 LEU QD . . 4.500 1.782 1.623 2.837 . 0 0 "[ . 1 . 2]" 1
1057 1 60 ILE MG 2 12 LYS HA . . 5.500 4.022 3.085 4.556 . 0 0 "[ . 1 . 2]" 1
1058 1 60 ILE MG 2 13 ILE HB . . 5.500 4.223 3.222 4.983 . 0 0 "[ . 1 . 2]" 1
1059 1 60 ILE MG 2 13 ILE QG . . 5.500 3.382 1.888 4.587 . 0 0 "[ . 1 . 2]" 1
1060 1 60 ILE MG 2 13 ILE MD . . 5.500 2.455 1.875 2.995 . 0 0 "[ . 1 . 2]" 1
1061 1 60 ILE MG 2 15 LEU QD . . 4.500 3.665 3.012 4.024 . 0 0 "[ . 1 . 2]" 1
1062 1 61 ASP H 2 12 LYS HA . . 5.500 4.896 4.653 5.315 . 0 0 "[ . 1 . 2]" 1
1063 1 61 ASP H 2 12 LYS HG3 . . 5.500 4.195 3.775 5.156 . 0 0 "[ . 1 . 2]" 1
1064 1 61 ASP H 2 12 LYS HE2 . . 5.500 5.138 4.434 5.640 0.140 15 0 "[ . 1 . 2]" 1
1065 1 61 ASP HA 2 12 LYS HA . . 5.500 2.539 2.110 3.115 . 0 0 "[ . 1 . 2]" 1
1066 1 61 ASP HA 2 12 LYS HB2 . . 5.500 2.900 2.614 3.738 . 0 0 "[ . 1 . 2]" 1
1067 1 61 ASP HA 2 12 LYS HB3 . . 5.500 4.337 4.043 5.227 . 0 0 "[ . 1 . 2]" 1
1068 1 61 ASP HA 2 12 LYS HG2 . . 5.500 3.787 3.155 4.992 . 0 0 "[ . 1 . 2]" 1
1069 1 61 ASP HA 2 12 LYS HG3 . . 5.500 2.496 1.997 3.477 . 0 0 "[ . 1 . 2]" 1
1070 1 61 ASP HA 2 12 LYS HE2 . . 5.500 3.783 3.107 4.163 . 0 0 "[ . 1 . 2]" 1
1071 1 61 ASP HA 2 13 ILE H . . 5.500 3.974 3.685 4.397 . 0 0 "[ . 1 . 2]" 1
1072 1 61 ASP QB 2 12 LYS HA . . 5.500 4.269 3.512 5.085 . 0 0 "[ . 1 . 2]" 1
1073 1 61 ASP QB 2 12 LYS HG3 . . 5.340 2.787 1.976 4.794 . 0 0 "[ . 1 . 2]" 1
1074 1 61 ASP QB 2 12 LYS QB . . 5.180 3.398 2.363 4.894 . 0 0 "[ . 1 . 2]" 1
1075 1 61 ASP QB 2 12 LYS QE . . 5.180 2.397 1.936 3.589 . 0 0 "[ . 1 . 2]" 1
1076 1 62 PHE H 2 10 PRO HG2 . . 5.500 5.475 4.887 5.603 0.103 10 0 "[ . 1 . 2]" 1
1077 1 62 PHE H 2 11 LEU HA . . 5.500 5.663 5.546 5.748 0.248 10 0 "[ . 1 . 2]" 1
1078 1 62 PHE H 2 11 LEU MD1 . . 5.500 4.398 4.203 4.806 . 0 0 "[ . 1 . 2]" 1
1079 1 62 PHE H 2 11 LEU QB . . 5.340 3.786 3.598 3.949 . 0 0 "[ . 1 . 2]" 1
1080 1 62 PHE H 2 12 LYS HA . . 5.500 3.034 2.734 3.268 . 0 0 "[ . 1 . 2]" 1
1081 1 62 PHE H 2 12 LYS HG3 . . 5.500 4.444 3.951 5.155 . 0 0 "[ . 1 . 2]" 1
1082 1 62 PHE H 2 12 LYS H . . 5.500 5.101 4.872 5.222 . 0 0 "[ . 1 . 2]" 1
1083 1 62 PHE H 2 12 LYS HB2 . . 5.500 4.077 3.596 4.308 . 0 0 "[ . 1 . 2]" 1
1084 1 62 PHE H 2 12 LYS HB3 . . 5.500 5.496 5.065 5.667 0.167 13 0 "[ . 1 . 2]" 1
1085 1 62 PHE QB 2 10 PRO HG2 . . 5.340 4.149 3.491 4.494 . 0 0 "[ . 1 . 2]" 1
1086 1 62 PHE QB 2 11 LEU HA . . 5.340 4.919 4.228 5.352 0.012 9 0 "[ . 1 . 2]" 1
1087 1 62 PHE QB 2 11 LEU MD2 . . 5.340 4.804 4.307 5.122 . 0 0 "[ . 1 . 2]" 1
1088 1 62 PHE QB 2 11 LEU QB . . 5.180 2.357 1.888 2.697 . 0 0 "[ . 1 . 2]" 1
1089 1 62 PHE QB 2 11 LEU MD1 . . 5.500 3.745 3.264 4.195 . 0 0 "[ . 1 . 2]" 1
1090 1 62 PHE QD 2 10 PRO HG2 . . 5.500 5.489 3.633 5.719 0.219 13 0 "[ . 1 . 2]" 1
1091 1 62 PHE QD 2 11 LEU HA . . 5.500 4.558 4.138 4.862 . 0 0 "[ . 1 . 2]" 1
1092 1 62 PHE QD 2 11 LEU MD1 . . 4.500 2.628 1.966 4.178 . 0 0 "[ . 1 . 2]" 1
1093 1 62 PHE QD 2 11 LEU MD2 . . 5.500 3.877 3.582 4.076 . 0 0 "[ . 1 . 2]" 1
1094 1 62 PHE QE 2 11 LEU MD1 . . 4.750 2.297 1.877 5.051 0.301 18 0 "[ . 1 . 2]" 1
1095 1 62 PHE QE 2 11 LEU MD2 . . 4.100 4.139 3.891 4.236 0.136 15 0 "[ . 1 . 2]" 1
1096 1 63 GLU H 2 10 PRO HG2 . . 5.500 4.147 3.756 4.777 . 0 0 "[ . 1 . 2]" 1
1097 1 63 GLU H 2 11 LEU H . . 5.500 4.872 4.542 5.567 0.067 6 0 "[ . 1 . 2]" 1
1098 1 63 GLU H 2 11 LEU QB . . 5.340 4.610 4.290 5.194 . 0 0 "[ . 1 . 2]" 1
1099 1 63 GLU H 2 12 LYS HA . . 5.500 4.875 4.651 5.539 0.039 6 0 "[ . 1 . 2]" 1
1100 1 63 GLU H 2 12 LYS QB . . 5.500 4.419 4.113 5.159 . 0 0 "[ . 1 . 2]" 1
1101 1 63 GLU HA 2 10 PRO HG2 . . 5.500 4.165 3.725 5.578 0.078 6 0 "[ . 1 . 2]" 1
1102 1 63 GLU QB 2 10 PRO HG2 . . 5.500 3.246 2.536 5.084 . 0 0 "[ . 1 . 2]" 1
1103 1 63 GLU QG 2 10 PRO HG2 . . 5.500 3.900 3.296 5.026 . 0 0 "[ . 1 . 2]" 1
1104 1 64 THR MG 2 12 LYS HE2 . . 5.500 4.985 4.332 5.514 0.014 18 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 315
_Distance_constraint_stats_list.Viol_total 370.693
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0315
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.0588
_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 17 SER 0.467 0.199 6 0 "[ . 1 . 2]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 2.413 0.242 18 0 "[ . 1 . 2]"
1 20 GLU 1.170 0.225 13 0 "[ . 1 . 2]"
1 21 LYS 0.515 0.199 6 0 "[ . 1 . 2]"
1 22 ARG 0.886 0.092 14 0 "[ . 1 . 2]"
1 23 GLN 2.413 0.242 18 0 "[ . 1 . 2]"
1 24 LEU 1.170 0.225 13 0 "[ . 1 . 2]"
1 25 SER 0.353 0.098 16 0 "[ . 1 . 2]"
1 26 LEU 0.897 0.092 14 0 "[ . 1 . 2]"
1 27 ASP 0.008 0.008 19 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASN 0.305 0.098 16 0 "[ . 1 . 2]"
1 30 LYS 0.012 0.012 4 0 "[ . 1 . 2]"
1 31 LEU 0.008 0.008 19 0 "[ . 1 . 2]"
1 32 PRO 0.009 0.009 2 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 3.454 0.192 16 0 "[ . 1 . 2]"
1 35 LYS 0.063 0.034 15 0 "[ . 1 . 2]"
1 36 LEU 0.009 0.009 2 0 "[ . 1 . 2]"
1 37 GLY 1.028 0.120 16 0 "[ . 1 . 2]"
1 38 ARG 4.308 0.192 16 0 "[ . 1 . 2]"
1 39 VAL 0.454 0.111 1 0 "[ . 1 . 2]"
1 40 VAL 0.190 0.070 16 0 "[ . 1 . 2]"
1 41 HIS 1.307 0.120 16 0 "[ . 1 . 2]"
1 42 ILE 0.869 0.098 17 0 "[ . 1 . 2]"
1 43 ILE 0.391 0.111 1 0 "[ . 1 . 2]"
1 44 GLN 0.190 0.070 16 0 "[ . 1 . 2]"
1 45 SER 0.278 0.088 18 0 "[ . 1 . 2]"
1 46 ARG 0.016 0.011 9 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 2.198 0.201 16 0 "[ . 1 . 2]"
1 60 ILE 0.874 0.110 15 0 "[ . 1 . 2]"
1 66 LYS 0.019 0.019 18 0 "[ . 1 . 2]"
1 67 PRO 0.075 0.075 6 0 "[ . 1 . 2]"
1 68 SER 0.043 0.010 3 0 "[ . 1 . 2]"
1 69 THR 0.025 0.014 2 0 "[ . 1 . 2]"
1 70 LEU 0.894 0.087 12 0 "[ . 1 . 2]"
1 71 ARG 0.078 0.075 6 0 "[ . 1 . 2]"
1 72 GLU 0.846 0.102 3 0 "[ . 1 . 2]"
1 73 LEU 0.025 0.014 2 0 "[ . 1 . 2]"
1 74 GLU 0.875 0.087 12 0 "[ . 1 . 2]"
1 75 ARG 0.426 0.089 7 0 "[ . 1 . 2]"
1 76 TYR 0.965 0.102 3 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 SER 0.422 0.089 7 0 "[ . 1 . 2]"
1 80 CYS 0.163 0.078 8 0 "[ . 1 . 2]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 ARG 0.108 0.050 4 0 "[ . 1 . 2]"
2 5 GLN 0.137 0.028 2 0 "[ . 1 . 2]"
2 7 SER 1.200 0.301 11 0 "[ . 1 . 2]"
2 12 LYS 1.200 0.301 11 0 "[ . 1 . 2]"
2 13 ILE 0.874 0.110 15 0 "[ . 1 . 2]"
2 14 ARG 0.137 0.028 2 0 "[ . 1 . 2]"
2 15 LEU 2.198 0.201 16 0 "[ . 1 . 2]"
2 16 THR 0.108 0.050 4 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 17 SER O 1 21 LYS H . . 2.500 2.250 1.776 2.699 0.199 6 0 "[ . 1 . 2]" 2
2 1 17 SER O 1 21 LYS N . . 3.500 3.155 2.716 3.593 0.093 6 0 "[ . 1 . 2]" 2
3 1 18 TYR O 1 22 ARG H . . 2.500 1.788 1.736 1.907 . 0 0 "[ . 1 . 2]" 2
4 1 18 TYR O 1 22 ARG N . . 3.500 2.707 2.620 2.737 . 0 0 "[ . 1 . 2]" 2
5 1 19 GLU O 1 23 GLN H . . 2.500 2.595 2.257 2.742 0.242 18 0 "[ . 1 . 2]" 2
6 1 19 GLU O 1 23 GLN N . . 3.500 3.449 3.106 3.575 0.075 18 0 "[ . 1 . 2]" 2
7 1 20 GLU O 1 24 LEU H . . 2.500 2.438 1.993 2.725 0.225 13 0 "[ . 1 . 2]" 2
8 1 20 GLU O 1 24 LEU N . . 3.500 3.297 2.908 3.605 0.105 13 0 "[ . 1 . 2]" 2
9 1 21 LYS O 1 25 SER H . . 2.500 2.127 1.755 2.540 0.040 13 0 "[ . 1 . 2]" 2
10 1 21 LYS O 1 25 SER N . . 3.500 3.052 2.678 3.449 . 0 0 "[ . 1 . 2]" 2
11 1 22 ARG O 1 26 LEU H . . 2.500 2.478 2.147 2.592 0.092 14 0 "[ . 1 . 2]" 2
12 1 22 ARG O 1 26 LEU N . . 3.500 3.415 3.106 3.539 0.039 13 0 "[ . 1 . 2]" 2
13 1 23 GLN O 1 27 ASP H . . 2.500 1.908 1.780 2.373 . 0 0 "[ . 1 . 2]" 2
14 1 23 GLN O 1 27 ASP N . . 3.500 2.841 2.687 3.224 . 0 0 "[ . 1 . 2]" 2
15 1 24 LEU O 1 28 ILE H . . 2.500 1.957 1.793 2.326 . 0 0 "[ . 1 . 2]" 2
16 1 24 LEU O 1 28 ILE N . . 3.500 2.872 2.697 3.254 . 0 0 "[ . 1 . 2]" 2
17 1 25 SER O 1 29 ASN H . . 2.500 2.364 1.855 2.598 0.098 16 0 "[ . 1 . 2]" 2
18 1 25 SER O 1 29 ASN N . . 3.500 3.166 2.716 3.466 . 0 0 "[ . 1 . 2]" 2
19 1 26 LEU O 1 30 LYS H . . 2.500 1.963 1.831 2.512 0.012 4 0 "[ . 1 . 2]" 2
20 1 26 LEU O 1 30 LYS N . . 3.500 2.817 2.721 2.934 . 0 0 "[ . 1 . 2]" 2
21 1 27 ASP O 1 31 LEU H . . 2.500 2.182 1.891 2.508 0.008 19 0 "[ . 1 . 2]" 2
22 1 27 ASP O 1 31 LEU N . . 3.500 3.015 2.761 3.325 . 0 0 "[ . 1 . 2]" 2
23 1 32 PRO O 1 36 LEU H . . 2.500 2.229 1.900 2.509 0.009 2 0 "[ . 1 . 2]" 2
24 1 32 PRO O 1 36 LEU N . . 3.500 3.144 2.856 3.393 . 0 0 "[ . 1 . 2]" 2
25 1 33 GLY O 1 37 GLY H . . 2.500 1.918 1.767 2.292 . 0 0 "[ . 1 . 2]" 2
26 1 33 GLY O 1 37 GLY N . . 3.500 2.865 2.727 3.220 . 0 0 "[ . 1 . 2]" 2
27 1 34 GLU O 1 38 ARG H . . 2.500 2.645 2.568 2.692 0.192 16 0 "[ . 1 . 2]" 2
28 1 34 GLU O 1 38 ARG N . . 3.500 3.525 3.484 3.580 0.080 19 0 "[ . 1 . 2]" 2
29 1 35 LYS O 1 39 VAL H . . 2.500 2.207 1.797 2.534 0.034 15 0 "[ . 1 . 2]" 2
30 1 35 LYS O 1 39 VAL N . . 3.500 3.148 2.768 3.487 . 0 0 "[ . 1 . 2]" 2
31 1 36 LEU O 1 40 VAL H . . 2.500 1.839 1.689 2.028 . 0 0 "[ . 1 . 2]" 2
32 1 36 LEU O 1 40 VAL N . . 3.500 2.750 2.592 2.987 . 0 0 "[ . 1 . 2]" 2
33 1 37 GLY O 1 41 HIS H . . 2.500 2.496 2.221 2.620 0.120 16 0 "[ . 1 . 2]" 2
34 1 37 GLY O 1 41 HIS N . . 3.500 3.276 3.046 3.434 . 0 0 "[ . 1 . 2]" 2
35 1 38 ARG O 1 42 ILE H . . 2.500 2.543 2.497 2.598 0.098 17 0 "[ . 1 . 2]" 2
36 1 38 ARG O 1 42 ILE N . . 3.500 3.367 3.278 3.452 . 0 0 "[ . 1 . 2]" 2
37 1 39 VAL O 1 43 ILE H . . 2.500 2.441 2.252 2.611 0.111 1 0 "[ . 1 . 2]" 2
38 1 39 VAL O 1 43 ILE N . . 3.500 3.352 3.180 3.525 0.025 1 0 "[ . 1 . 2]" 2
39 1 40 VAL O 1 44 GLN H . . 2.500 2.229 1.805 2.570 0.070 16 0 "[ . 1 . 2]" 2
40 1 40 VAL O 1 44 GLN N . . 3.500 3.150 2.742 3.529 0.029 16 0 "[ . 1 . 2]" 2
41 1 41 HIS O 1 45 SER H . . 2.500 2.351 2.027 2.588 0.088 18 0 "[ . 1 . 2]" 2
42 1 41 HIS O 1 45 SER N . . 3.500 3.038 2.809 3.414 . 0 0 "[ . 1 . 2]" 2
43 1 42 ILE O 1 46 ARG H . . 2.500 2.131 1.765 2.511 0.011 9 0 "[ . 1 . 2]" 2
44 1 42 ILE O 1 46 ARG N . . 3.500 2.957 2.683 3.328 . 0 0 "[ . 1 . 2]" 2
45 1 43 ILE O 1 47 GLU H . . 2.500 1.994 1.691 2.336 . 0 0 "[ . 1 . 2]" 2
46 1 43 ILE O 1 47 GLU N . . 3.500 2.670 2.590 2.728 . 0 0 "[ . 1 . 2]" 2
47 1 58 ILE H 2 15 LEU O . . 2.500 1.998 1.914 2.164 . 0 0 "[ . 1 . 2]" 2
48 1 58 ILE N 2 15 LEU O . . 3.500 2.714 2.632 2.813 . 0 0 "[ . 1 . 2]" 2
49 1 58 ILE O 2 15 LEU H . . 2.500 2.610 2.536 2.701 0.201 16 0 "[ . 1 . 2]" 2
50 1 58 ILE O 2 15 LEU N . . 3.500 3.127 3.000 3.272 . 0 0 "[ . 1 . 2]" 2
51 1 60 ILE H 2 13 ILE O . . 2.500 2.432 2.016 2.610 0.110 15 0 "[ . 1 . 2]" 2
52 1 60 ILE N 2 13 ILE O . . 3.500 3.255 2.844 3.442 . 0 0 "[ . 1 . 2]" 2
53 1 60 ILE O 2 13 ILE H . . 2.500 2.275 1.913 2.566 0.066 18 0 "[ . 1 . 2]" 2
54 1 60 ILE O 2 13 ILE N . . 3.500 2.925 2.664 3.210 . 0 0 "[ . 1 . 2]" 2
55 1 66 LYS O 1 70 LEU H . . 2.500 2.300 2.138 2.519 0.019 18 0 "[ . 1 . 2]" 2
56 1 66 LYS O 1 70 LEU N . . 3.500 3.238 3.084 3.440 . 0 0 "[ . 1 . 2]" 2
57 1 67 PRO O 1 71 ARG H . . 2.500 2.105 1.797 2.575 0.075 6 0 "[ . 1 . 2]" 2
58 1 67 PRO O 1 71 ARG N . . 3.500 3.068 2.743 3.497 . 0 0 "[ . 1 . 2]" 2
59 1 68 SER O 1 72 GLU H . . 2.500 2.287 1.797 2.510 0.010 3 0 "[ . 1 . 2]" 2
60 1 68 SER O 1 72 GLU N . . 3.500 3.131 2.756 3.369 . 0 0 "[ . 1 . 2]" 2
61 1 69 THR O 1 73 LEU H . . 2.500 2.331 1.777 2.514 0.014 2 0 "[ . 1 . 2]" 2
62 1 69 THR O 1 73 LEU N . . 3.500 3.203 2.754 3.322 . 0 0 "[ . 1 . 2]" 2
63 1 70 LEU O 1 74 GLU H . . 2.500 2.503 2.027 2.587 0.087 12 0 "[ . 1 . 2]" 2
64 1 70 LEU O 1 74 GLU N . . 3.500 3.442 2.957 3.548 0.048 12 0 "[ . 1 . 2]" 2
65 1 71 ARG O 1 75 ARG H . . 2.500 2.130 1.878 2.503 0.003 6 0 "[ . 1 . 2]" 2
66 1 71 ARG O 1 75 ARG N . . 3.500 2.965 2.749 3.303 . 0 0 "[ . 1 . 2]" 2
67 1 72 GLU O 1 76 TYR H . . 2.500 2.539 2.473 2.602 0.102 3 0 "[ . 1 . 2]" 2
68 1 72 GLU O 1 76 TYR N . . 3.500 3.352 3.285 3.439 . 0 0 "[ . 1 . 2]" 2
69 1 73 LEU O 1 77 VAL H . . 2.500 1.913 1.777 2.324 . 0 0 "[ . 1 . 2]" 2
70 1 73 LEU O 1 77 VAL N . . 3.500 2.872 2.741 3.274 . 0 0 "[ . 1 . 2]" 2
71 1 74 GLU O 1 78 THR H . . 2.500 2.248 1.852 2.489 . 0 0 "[ . 1 . 2]" 2
72 1 74 GLU O 1 78 THR N . . 3.500 3.077 2.739 3.308 . 0 0 "[ . 1 . 2]" 2
73 1 75 ARG O 1 79 SER H . . 2.500 2.507 2.339 2.589 0.089 7 0 "[ . 1 . 2]" 2
74 1 75 ARG O 1 79 SER N . . 3.500 3.311 3.132 3.441 . 0 0 "[ . 1 . 2]" 2
75 1 76 TYR O 1 80 CYS H . . 2.500 2.233 1.817 2.578 0.078 8 0 "[ . 1 . 2]" 2
76 1 76 TYR O 1 80 CYS N . . 3.500 3.120 2.741 3.442 . 0 0 "[ . 1 . 2]" 2
77 1 77 VAL O 1 81 LEU H . . 2.500 1.937 1.799 2.103 . 0 0 "[ . 1 . 2]" 2
78 1 77 VAL O 1 81 LEU N . . 3.500 2.842 2.744 2.980 . 0 0 "[ . 1 . 2]" 2
79 2 3 ARG H 2 16 THR O . . 2.500 1.852 1.738 2.076 . 0 0 "[ . 1 . 2]" 2
80 2 3 ARG N 2 16 THR O . . 3.500 2.762 2.692 2.871 . 0 0 "[ . 1 . 2]" 2
81 2 3 ARG O 2 16 THR H . . 2.500 2.190 1.857 2.550 0.050 4 0 "[ . 1 . 2]" 2
82 2 3 ARG O 2 16 THR N . . 3.500 3.129 2.747 3.490 . 0 0 "[ . 1 . 2]" 2
83 2 5 GLN H 2 14 ARG O . . 2.500 2.313 2.003 2.528 0.028 2 0 "[ . 1 . 2]" 2
84 2 5 GLN N 2 14 ARG O . . 3.500 3.107 2.883 3.249 . 0 0 "[ . 1 . 2]" 2
85 2 5 GLN O 2 14 ARG H . . 2.500 2.197 1.795 2.521 0.021 5 0 "[ . 1 . 2]" 2
86 2 5 GLN O 2 14 ARG N . . 3.500 3.116 2.726 3.476 . 0 0 "[ . 1 . 2]" 2
87 2 7 SER H 2 12 LYS O . . 2.500 2.555 2.509 2.801 0.301 11 0 "[ . 1 . 2]" 2
88 2 7 SER N 2 12 LYS O . . 3.500 3.250 3.088 3.591 0.091 11 0 "[ . 1 . 2]" 2
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