Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
475745 | 2l0s RC | 17062 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l0s
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 1382
_Distance_constraint_stats_list.Viol_count 3130
_Distance_constraint_stats_list.Viol_total 4807.103
_Distance_constraint_stats_list.Viol_max 0.981
_Distance_constraint_stats_list.Viol_rms 0.0436
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0768
_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 1 THR 0.861 0.108 3 0 "[ . 1 . 2]"
1 2 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 4.206 0.159 14 0 "[ . 1 . 2]"
1 4 CYS 1.283 0.187 12 0 "[ . 1 . 2]"
1 5 LEU 9.284 0.279 10 0 "[ . 1 . 2]"
1 6 LYS 1.928 0.184 2 0 "[ . 1 . 2]"
1 7 GLY 0.356 0.038 19 0 "[ . 1 . 2]"
1 8 THR 3.491 0.120 8 0 "[ . 1 . 2]"
1 9 GLY 8.881 0.925 12 6 "[ . - * + *. * *2]"
1 10 GLU 10.611 0.925 12 6 "[ . - * + *. * *2]"
1 11 ASN 7.783 0.464 20 0 "[ . 1 . 2]"
1 12 TYR 8.209 0.465 20 0 "[ . 1 . 2]"
1 13 ARG 14.573 0.954 20 3 "[ . ** 1 . +]"
1 14 GLY 0.052 0.041 2 0 "[ . 1 . 2]"
1 15 ASN 5.384 0.508 20 1 "[ . 1 . +]"
1 16 VAL 3.665 0.235 12 0 "[ . 1 . 2]"
1 17 ALA 2.024 0.185 16 0 "[ . 1 . 2]"
1 18 VAL 2.436 0.100 14 0 "[ . 1 . 2]"
1 19 THR 4.289 0.170 2 0 "[ . 1 . 2]"
1 20 VAL 2.506 0.132 11 0 "[ . 1 . 2]"
1 21 SER 0.650 0.053 20 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 HIS 3.307 0.730 10 1 "[ . + . 2]"
1 24 THR 4.637 0.191 18 0 "[ . 1 . 2]"
1 25 CYS 2.805 0.170 2 0 "[ . 1 . 2]"
1 26 GLN 10.973 0.825 3 4 "[ + .* -1* . 2]"
1 27 HIS 2.061 0.082 6 0 "[ . 1 . 2]"
1 28 TRP 10.644 0.437 8 0 "[ . 1 . 2]"
1 29 SER 1.268 0.095 18 0 "[ . 1 . 2]"
1 30 ALA 4.454 0.825 3 4 "[ + .* -1* . 2]"
1 31 GLN 11.390 0.358 18 0 "[ . 1 . 2]"
1 32 THR 0.571 0.105 3 0 "[ . 1 . 2]"
1 33 PRO 4.141 0.128 8 0 "[ . 1 . 2]"
1 34 HIS 3.280 0.155 16 0 "[ . 1 . 2]"
1 35 THR 0.221 0.114 12 0 "[ . 1 . 2]"
1 36 HIS 9.613 0.741 3 2 "[ + . -1 . 2]"
1 37 ASN 7.331 0.741 3 3 "[ + . -1 . *]"
1 38 ARG 7.988 0.239 7 0 "[ . 1 . 2]"
1 39 THR 12.137 0.358 18 0 "[ . 1 . 2]"
1 40 PRO 4.142 0.143 14 0 "[ . 1 . 2]"
1 41 GLU 1.231 0.143 18 0 "[ . 1 . 2]"
1 42 ASN 5.857 0.632 20 1 "[ . 1 . +]"
1 43 PHE 4.539 0.137 14 0 "[ . 1 . 2]"
1 44 PRO 3.313 0.135 14 0 "[ . 1 . 2]"
1 45 SER 0.490 0.068 2 0 "[ . 1 . 2]"
1 46 LYS 8.956 0.453 6 0 "[ . 1 . 2]"
1 47 ASN 2.657 0.353 9 0 "[ . 1 . 2]"
1 48 LEU 14.707 0.274 8 0 "[ . 1 . 2]"
1 49 ASP 2.362 0.117 4 0 "[ . 1 . 2]"
1 50 GLU 1.609 0.121 11 0 "[ . 1 . 2]"
1 51 ASN 4.789 0.437 8 0 "[ . 1 . 2]"
1 52 TYR 7.980 0.189 19 0 "[ . 1 . 2]"
1 53 CYS 0.399 0.060 8 0 "[ . 1 . 2]"
1 54 ARG 3.920 0.096 13 0 "[ . 1 . 2]"
1 55 ASN 5.970 0.120 8 0 "[ . 1 . 2]"
1 56 PRO 2.852 0.096 20 0 "[ . 1 . 2]"
1 57 ASP 0.970 0.128 3 0 "[ . 1 . 2]"
1 58 GLY 0.150 0.062 15 0 "[ . 1 . 2]"
1 59 LYS 1.495 0.090 6 0 "[ . 1 . 2]"
1 60 ARG 13.401 0.981 18 8 "[ .****1- . +**]"
1 61 ALA 3.384 0.095 6 0 "[ . 1 . 2]"
1 62 PRO 2.409 0.145 3 0 "[ . 1 . 2]"
1 63 TRP 7.413 0.201 16 0 "[ . 1 . 2]"
1 64 CYS 0.870 0.076 11 0 "[ . 1 . 2]"
1 65 HIS 6.362 0.309 6 0 "[ . 1 . 2]"
1 66 THR 2.097 0.121 17 0 "[ . 1 . 2]"
1 67 THR 8.146 0.191 18 0 "[ . 1 . 2]"
1 68 ASN 3.789 0.730 10 1 "[ . + . 2]"
1 69 SER 2.455 0.468 5 0 "[ . 1 . 2]"
1 70 GLN 2.791 0.468 5 0 "[ . 1 . 2]"
1 71 VAL 7.548 0.932 12 5 "[ * * 1 + . *-2]"
1 72 ARG 10.075 0.932 12 5 "[ * * 1 + . **2]"
1 73 TRP 6.433 0.294 12 0 "[ . 1 . 2]"
1 74 GLU 8.814 0.561 14 9 "[-* . * * **+.* * 2]"
1 75 TYR 4.196 0.145 3 0 "[ . 1 . 2]"
1 76 CYS 1.269 0.083 6 0 "[ . 1 . 2]"
1 77 LYS 9.864 0.828 8 2 "[ - . + 1 . 2]"
1 78 ILE 10.547 0.235 12 0 "[ . 1 . 2]"
1 79 PRO 5.862 0.171 12 0 "[ . 1 . 2]"
1 80 SER 6.102 0.279 10 0 "[ . 1 . 2]"
1 81 CYS 0.292 0.122 6 0 "[ . 1 . 2]"
1 82 ASP 0.536 0.122 6 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 1 THR HA 1 1 THR HB 2.338 . 3.021 2.584 2.488 3.006 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HA 1 1 THR MG 1.880 . 2.322 2.265 2.219 2.327 0.005 5 0 "[ . 1 . 2]" 1
3 1 1 THR HB 1 13 ARG HG3 3.804 . 8.000 7.751 7.002 8.058 0.058 19 0 "[ . 1 . 2]" 1
4 1 1 THR HG1 1 1 THR MG 2.232 . 2.854 2.551 2.066 2.962 0.108 3 0 "[ . 1 . 2]" 1
5 1 1 THR HG1 1 78 ILE MD 2.381 . 8.000 6.253 4.263 8.018 0.018 20 0 "[ . 1 . 2]" 1
6 1 1 THR HB 1 1 THR MG 2.221 . 2.837 2.132 2.127 2.139 . 0 0 "[ . 1 . 2]" 1
7 1 1 THR MG 1 3 GLN HE22 2.272 . 2.917 2.670 1.895 2.980 0.063 17 0 "[ . 1 . 2]" 1
8 1 2 TYR H 1 3 GLN HA 3.278 . 8.000 4.815 4.243 5.425 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN HA 1 3 GLN HE22 2.190 . 8.000 5.588 5.207 6.019 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLN QB 1 3 GLN HE22 2.336 . 4.410 3.180 3.046 3.497 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN QB 1 4 CYS H 2.417 . 3.147 2.263 1.920 2.628 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLN QB 1 13 ARG HG3 2.639 . 3.510 3.500 2.966 3.658 0.148 15 0 "[ . 1 . 2]" 1
13 1 3 GLN QB 1 3 GLN HE21 2.408 . 3.133 1.866 1.589 2.830 0.094 10 0 "[ . 1 . 2]" 1
14 1 3 GLN HE21 1 15 ASN HD22 2.818 . 3.811 3.312 2.584 3.820 0.009 19 0 "[ . 1 . 2]" 1
15 1 3 GLN HE22 1 15 ASN HB2 2.432 . 3.171 3.202 2.822 3.330 0.159 14 0 "[ . 1 . 2]" 1
16 1 3 GLN HE22 1 15 ASN HD21 2.470 . 3.233 3.107 2.245 3.366 0.133 7 0 "[ . 1 . 2]" 1
17 1 3 GLN HE22 1 78 ILE MG 2.262 . 8.000 6.124 5.761 6.582 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLN H 1 3 GLN QG 2.174 . 2.765 2.515 2.071 2.790 0.025 10 0 "[ . 1 . 2]" 1
19 1 3 GLN QG 1 15 ASN HD22 2.503 . 8.000 3.565 1.861 5.034 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLN H 1 3 GLN HA 2.497 . 3.276 2.898 2.867 2.950 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLN H 1 3 GLN QB 2.341 . 3.026 2.622 2.501 2.908 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLN H 1 3 GLN HE22 3.051 . 4.215 3.901 3.064 4.356 0.141 14 0 "[ . 1 . 2]" 1
23 1 3 GLN H 1 4 CYS H 2.616 . 8.000 4.498 4.292 4.601 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLN H 1 12 TYR HD2 2.454 . 8.000 7.362 6.933 7.985 . 0 0 "[ . 1 . 2]" 1
25 1 4 CYS HA 1 78 ILE MG 2.356 . 8.000 3.047 2.686 3.357 . 0 0 "[ . 1 . 2]" 1
26 1 4 CYS HA 1 79 PRO HB3 2.972 . 4.076 3.930 3.627 4.109 0.033 6 0 "[ . 1 . 2]" 1
27 1 4 CYS QB 1 12 TYR HD2 3.118 . 8.000 6.001 5.667 6.404 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLN H 1 4 CYS QB 2.523 . 8.000 5.499 4.957 5.811 . 0 0 "[ . 1 . 2]" 1
29 1 4 CYS QB 1 5 LEU HB3 2.497 . 8.000 4.344 4.176 4.621 . 0 0 "[ . 1 . 2]" 1
30 1 4 CYS QB 1 78 ILE MG 3.487 . 5.007 4.228 3.870 4.525 . 0 0 "[ . 1 . 2]" 1
31 1 4 CYS QB 1 79 PRO HB2 2.680 . 3.578 2.833 2.349 3.089 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLN HA 1 4 CYS H 2.077 . 8.000 2.531 2.270 2.806 . 0 0 "[ . 1 . 2]" 1
33 1 4 CYS H 1 4 CYS HA 2.529 . 3.328 2.905 2.852 2.941 . 0 0 "[ . 1 . 2]" 1
34 1 4 CYS H 1 4 CYS QB 2.300 . 8.000 3.184 3.022 3.336 . 0 0 "[ . 1 . 2]" 1
35 1 4 CYS H 1 12 TYR HB2 3.632 . 5.281 5.198 4.570 5.468 0.187 12 0 "[ . 1 . 2]" 1
36 1 4 CYS H 1 13 ARG HD3 2.888 . 8.000 3.330 2.205 4.855 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU HA 1 5 LEU HB2 2.445 . 3.192 2.458 2.410 2.489 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU HA 1 5 LEU QD 2.185 . 2.782 2.065 1.921 2.170 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU HA 1 7 GLY H 1.660 . 8.000 4.500 4.152 4.850 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HA 1 78 ILE MG 2.392 . 3.107 2.656 2.426 2.855 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU HB3 1 5 LEU QD 2.207 . 2.813 2.297 2.252 2.350 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU HB3 1 62 PRO HG3 2.216 . 8.000 6.263 5.940 6.514 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU HB3 1 78 ILE MG 2.357 . 8.000 3.461 3.165 3.658 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU HB2 1 78 ILE HB 1.964 . 2.446 1.818 1.647 2.080 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU HB2 1 78 ILE MD 3.290 . 4.643 4.514 4.366 4.632 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU HB2 1 80 SER H 2.532 . 8.000 5.508 5.328 5.670 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU HB2 1 5 LEU QD 1.822 . 2.686 2.073 2.045 2.098 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU QD 1 5 LEU HG 2.207 . 2.597 1.891 1.885 1.897 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU QD 1 7 GLY HA2 2.389 . 8.000 3.632 3.332 3.948 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU QD 1 9 GLY HA3 2.383 . 3.093 1.632 1.583 1.729 0.090 6 0 "[ . 1 . 2]" 1
51 1 5 LEU QD 1 10 GLU H 2.174 . 8.000 4.416 4.245 4.553 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU QD 1 12 TYR HB2 2.634 . 3.502 3.115 2.468 3.521 0.019 8 0 "[ . 1 . 2]" 1
53 1 5 LEU QD 1 12 TYR HE2 2.899 . 3.949 3.830 3.582 3.933 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU QD 1 12 TYR H 2.679 . 8.000 4.160 3.779 4.395 . 0 0 "[ . 1 . 2]" 1
55 1 5 LEU QD 1 55 ASN HD22 1.805 . 8.000 5.772 5.488 5.992 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU QD 1 62 PRO HB2 2.740 . 8.000 3.734 3.645 3.835 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU QD 1 62 PRO HD3 2.270 . 2.914 1.927 1.746 2.034 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU QD 1 78 ILE HG12 2.578 . 3.409 2.807 2.666 3.029 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU QD 1 79 PRO HD3 2.558 . 8.000 5.216 5.056 5.370 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU MD1 1 5 LEU MD2 1.962 . 2.443 2.078 2.062 2.089 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU H 1 5 LEU QD 2.419 . 8.000 3.703 3.667 3.749 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU QD 1 8 THR H 3.024 . 8.000 4.276 4.040 4.419 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU QD 1 62 PRO HD2 2.639 . 3.415 2.258 2.090 2.424 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU QD 1 78 ILE HB 1.912 . 2.369 1.931 1.735 2.062 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU QD 1 78 ILE MD 2.849 . 8.000 3.571 3.471 3.643 . 0 0 "[ . 1 . 2]" 1
66 1 5 LEU QD 1 78 ILE MG 2.094 . 8.000 2.351 2.085 2.626 . 0 0 "[ . 1 . 2]" 1
67 1 5 LEU QD 1 78 ILE H 2.289 . 2.944 2.987 2.867 3.053 0.109 6 0 "[ . 1 . 2]" 1
68 1 5 LEU HB3 1 5 LEU HG 2.452 . 3.204 2.431 2.395 2.461 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU HB2 1 5 LEU HG 2.383 . 3.093 3.011 3.004 3.015 . 0 0 "[ . 1 . 2]" 1
70 1 5 LEU H 1 5 LEU HG 2.246 . 8.000 4.457 4.400 4.507 . 0 0 "[ . 1 . 2]" 1
71 1 5 LEU HG 1 7 GLY H 3.021 . 4.162 2.320 1.911 2.733 . 0 0 "[ . 1 . 2]" 1
72 1 3 GLN H 1 5 LEU H 3.272 . 8.000 7.494 7.040 7.826 . 0 0 "[ . 1 . 2]" 1
73 1 4 CYS HA 1 5 LEU H 1.763 . 8.000 2.426 2.259 2.651 . 0 0 "[ . 1 . 2]" 1
74 1 4 CYS QB 1 5 LEU H 1.911 . 8.000 2.363 2.049 2.728 . 0 0 "[ . 1 . 2]" 1
75 1 5 LEU H 1 5 LEU HA 2.479 . 3.247 2.883 2.855 2.909 . 0 0 "[ . 1 . 2]" 1
76 1 5 LEU H 1 5 LEU HB3 1.948 . 2.422 2.463 2.374 2.522 0.100 3 0 "[ . 1 . 2]" 1
77 1 5 LEU H 1 5 LEU HB2 2.169 . 2.757 2.573 2.494 2.686 . 0 0 "[ . 1 . 2]" 1
78 1 5 LEU H 1 78 ILE MG 2.114 . 2.673 2.721 2.687 2.764 0.091 16 0 "[ . 1 . 2]" 1
79 1 5 LEU H 1 80 SER HA 1.813 . 2.224 2.255 2.177 2.351 0.127 16 0 "[ . 1 . 2]" 1
80 1 5 LEU HA 1 6 LYS HA 2.679 . 8.000 4.408 4.372 4.486 . 0 0 "[ . 1 . 2]" 1
81 1 6 LYS HA 1 6 LYS HB2 2.139 . 2.711 2.533 2.476 2.626 . 0 0 "[ . 1 . 2]" 1
82 1 6 LYS HA 1 6 LYS HB3 2.135 . 2.705 2.396 2.293 2.464 . 0 0 "[ . 1 . 2]" 1
83 1 6 LYS HA 1 6 LYS QG 2.630 . 8.000 3.320 3.280 3.344 . 0 0 "[ . 1 . 2]" 1
84 1 6 LYS HB2 1 6 LYS QG 2.211 . 8.000 2.399 2.349 2.474 . 0 0 "[ . 1 . 2]" 1
85 1 6 LYS HB2 1 9 GLY H 3.699 . 5.409 4.058 3.784 4.329 . 0 0 "[ . 1 . 2]" 1
86 1 5 LEU HB2 1 6 LYS QD 2.584 . 8.000 7.131 6.368 7.348 . 0 0 "[ . 1 . 2]" 1
87 1 6 LYS HB2 1 6 LYS QD 1.861 . 8.000 2.673 2.350 2.944 . 0 0 "[ . 1 . 2]" 1
88 1 6 LYS QD 1 6 LYS QG 1.935 . 2.403 1.993 1.980 2.012 . 0 0 "[ . 1 . 2]" 1
89 1 6 LYS QD 1 55 ASN HD21 2.863 . 8.000 6.510 5.946 6.932 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS QD 1 6 LYS HE2 2.186 . 8.000 2.358 2.303 2.401 . 0 0 "[ . 1 . 2]" 1
91 1 5 LEU QD 1 6 LYS QG 2.111 . 2.668 2.598 2.424 2.728 0.060 19 0 "[ . 1 . 2]" 1
92 1 6 LYS HB3 1 6 LYS QG 1.929 . 2.394 2.279 2.112 2.338 . 0 0 "[ . 1 . 2]" 1
93 1 6 LYS HE2 1 6 LYS QG 2.537 . 8.000 2.765 2.400 3.059 . 0 0 "[ . 1 . 2]" 1
94 1 6 LYS QG 1 12 TYR H 2.311 . 8.000 3.291 2.907 3.737 . 0 0 "[ . 1 . 2]" 1
95 1 6 LYS QG 1 13 ARG H 2.699 . 8.000 4.870 4.642 5.042 . 0 0 "[ . 1 . 2]" 1
96 1 5 LEU HA 1 6 LYS H 1.793 . 8.000 2.289 2.186 2.467 . 0 0 "[ . 1 . 2]" 1
97 1 5 LEU HB2 1 6 LYS H 2.624 . 8.000 3.883 3.737 3.990 . 0 0 "[ . 1 . 2]" 1
98 1 5 LEU QD 1 6 LYS H 2.078 . 2.618 1.722 1.587 1.891 . 0 0 "[ . 1 . 2]" 1
99 1 6 LYS H 1 6 LYS HB2 2.986 . 4.100 3.662 3.528 3.798 . 0 0 "[ . 1 . 2]" 1
100 1 6 LYS H 1 6 LYS HB3 2.682 . 3.581 3.104 2.860 3.362 . 0 0 "[ . 1 . 2]" 1
101 1 6 LYS H 1 6 LYS QG 2.687 . 3.589 2.017 1.780 2.275 0.005 19 0 "[ . 1 . 2]" 1
102 1 6 LYS H 1 7 GLY HA3 2.265 . 8.000 5.109 4.833 5.295 . 0 0 "[ . 1 . 2]" 1
103 1 6 LYS H 1 9 GLY HA3 3.136 . 4.365 3.314 2.856 3.872 . 0 0 "[ . 1 . 2]" 1
104 1 6 LYS H 1 80 SER HA 2.871 . 8.000 5.651 5.276 5.961 . 0 0 "[ . 1 . 2]" 1
105 1 7 GLY HA3 1 9 GLY H 2.719 . 8.000 3.871 3.603 4.054 . 0 0 "[ . 1 . 2]" 1
106 1 6 LYS HA 1 7 GLY H 2.189 . 2.788 2.644 2.512 2.736 . 0 0 "[ . 1 . 2]" 1
107 1 6 LYS HB2 1 7 GLY H 3.460 . 4.956 4.390 4.293 4.448 . 0 0 "[ . 1 . 2]" 1
108 1 6 LYS HB3 1 7 GLY H 3.328 . 4.712 4.655 4.597 4.678 . 0 0 "[ . 1 . 2]" 1
109 1 6 LYS QG 1 7 GLY H 2.512 . 8.000 4.054 3.915 4.451 . 0 0 "[ . 1 . 2]" 1
110 1 7 GLY H 1 7 GLY HA3 2.229 . 2.850 2.867 2.852 2.888 0.038 19 0 "[ . 1 . 2]" 1
111 1 7 GLY H 1 7 GLY HA2 2.005 . 2.508 2.311 2.305 2.323 . 0 0 "[ . 1 . 2]" 1
112 1 7 GLY H 1 8 THR HA 5.296 . 8.802 5.578 5.460 5.666 . 0 0 "[ . 1 . 2]" 1
113 1 7 GLY H 1 82 ASP H 4.292 . 6.594 5.547 4.598 6.603 0.009 10 0 "[ . 1 . 2]" 1
114 1 8 THR HA 1 8 THR MG 1.961 . 2.442 2.276 2.218 2.306 . 0 0 "[ . 1 . 2]" 1
115 1 8 THR HA 1 9 GLY H 2.812 . 3.800 3.452 3.416 3.496 . 0 0 "[ . 1 . 2]" 1
116 1 8 THR HA 1 55 ASN HB3 3.238 . 8.000 5.451 5.167 5.637 . 0 0 "[ . 1 . 2]" 1
117 1 8 THR HA 1 55 ASN HD21 2.389 . 3.103 3.088 2.874 3.182 0.079 17 0 "[ . 1 . 2]" 1
118 1 8 THR HA 1 61 ALA MB 2.402 . 8.000 3.973 3.716 4.347 . 0 0 "[ . 1 . 2]" 1
119 1 8 THR HB 1 8 THR MG 1.965 . 2.448 2.126 2.123 2.133 . 0 0 "[ . 1 . 2]" 1
120 1 8 THR HB 1 55 ASN HD22 2.055 . 2.583 2.550 2.371 2.627 0.044 17 0 "[ . 1 . 2]" 1
121 1 8 THR HB 1 60 ARG HA 3.171 . 4.428 4.481 4.409 4.542 0.114 2 0 "[ . 1 . 2]" 1
122 1 8 THR MG 1 55 ASN HD21 2.180 . 8.000 3.390 3.243 3.477 . 0 0 "[ . 1 . 2]" 1
123 1 7 GLY HA3 1 8 THR H 2.009 . 2.514 2.246 2.176 2.304 . 0 0 "[ . 1 . 2]" 1
124 1 7 GLY HA2 1 8 THR H 2.166 . 8.000 3.469 3.390 3.508 . 0 0 "[ . 1 . 2]" 1
125 1 8 THR H 1 8 THR MG 2.178 . 2.771 2.648 2.532 2.806 0.035 17 0 "[ . 1 . 2]" 1
126 1 8 THR H 1 9 GLY H 3.738 . 5.485 2.342 2.251 2.405 . 0 0 "[ . 1 . 2]" 1
127 1 8 THR H 1 55 ASN HD21 2.842 . 8.000 5.032 4.930 5.159 . 0 0 "[ . 1 . 2]" 1
128 1 8 THR H 1 61 ALA HA 2.491 . 8.000 5.112 4.922 5.609 . 0 0 "[ . 1 . 2]" 1
129 1 5 LEU QD 1 9 GLY HA2 2.617 . 3.473 2.517 2.190 2.801 . 0 0 "[ . 1 . 2]" 1
130 1 6 LYS QD 1 9 GLY HA2 2.360 . 3.056 2.477 1.624 2.902 0.040 19 0 "[ . 1 . 2]" 1
131 1 9 GLY HA2 1 10 GLU HG2 3.678 . 5.369 5.664 4.083 6.294 0.925 12 6 "[ . - * + *. * *2]" 1
132 1 9 GLY HA2 1 12 TYR HB3 2.511 . 3.299 2.273 1.925 2.722 . 0 0 "[ . 1 . 2]" 1
133 1 9 GLY HA2 1 12 TYR H 2.122 . 8.000 3.041 2.885 3.147 . 0 0 "[ . 1 . 2]" 1
134 1 9 GLY HA2 1 62 PRO HD3 2.332 . 8.000 4.593 4.092 4.910 . 0 0 "[ . 1 . 2]" 1
135 1 8 THR H 1 9 GLY HA3 1.578 . 8.000 4.885 4.751 4.984 . 0 0 "[ . 1 . 2]" 1
136 1 9 GLY HA3 1 55 ASN HB3 2.654 . 8.000 5.015 4.452 5.369 . 0 0 "[ . 1 . 2]" 1
137 1 5 LEU QD 1 9 GLY H 2.508 . 3.294 3.191 2.953 3.268 . 0 0 "[ . 1 . 2]" 1
138 1 6 LYS QG 1 9 GLY H 3.191 . 4.464 2.195 1.748 3.868 0.170 14 0 "[ . 1 . 2]" 1
139 1 7 GLY H 1 9 GLY H 3.599 . 5.218 4.276 4.156 4.412 . 0 0 "[ . 1 . 2]" 1
140 1 8 THR HB 1 9 GLY H 2.416 . 8.000 3.793 3.681 3.897 . 0 0 "[ . 1 . 2]" 1
141 1 9 GLY H 1 9 GLY HA2 2.013 . 2.519 2.287 2.276 2.298 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLY H 1 9 GLY HA3 2.380 . 3.088 2.779 2.694 2.843 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLY H 1 12 TYR H 3.605 . 5.229 5.164 4.983 5.294 0.065 2 0 "[ . 1 . 2]" 1
144 1 10 GLU HA 1 10 GLU HG3 2.655 . 3.536 3.082 2.586 3.674 0.138 9 0 "[ . 1 . 2]" 1
145 1 10 GLU HA 1 10 GLU HG2 2.698 . 3.608 3.001 2.500 3.773 0.165 19 0 "[ . 1 . 2]" 1
146 1 10 GLU H 1 10 GLU HA 2.395 . 3.112 2.827 2.645 2.925 . 0 0 "[ . 1 . 2]" 1
147 1 10 GLU HA 1 55 ASN HB3 2.309 . 2.975 1.856 1.546 2.303 0.097 4 0 "[ . 1 . 2]" 1
148 1 10 GLU HB2 1 10 GLU HG3 2.130 . 2.697 2.600 2.392 2.983 0.286 17 0 "[ . 1 . 2]" 1
149 1 10 GLU H 1 10 GLU HG2 2.589 . 3.427 3.240 1.892 3.687 0.260 7 0 "[ . 1 . 2]" 1
150 1 6 LYS QD 1 10 GLU H 2.817 . 3.809 2.672 2.108 3.365 . 0 0 "[ . 1 . 2]" 1
151 1 9 GLY HA2 1 10 GLU H 2.503 . 3.286 2.601 2.354 2.944 . 0 0 "[ . 1 . 2]" 1
152 1 9 GLY HA3 1 10 GLU H 3.529 . 5.086 3.536 3.458 3.572 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLU H 1 10 GLU HG3 2.806 . 3.791 2.107 1.805 2.702 0.016 11 0 "[ . 1 . 2]" 1
154 1 10 GLU H 1 11 ASN H 2.746 . 3.689 2.758 2.308 3.305 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLU H 1 55 ASN HB2 2.540 . 8.000 4.586 4.233 5.065 . 0 0 "[ . 1 . 2]" 1
156 1 10 GLU H 1 61 ALA HA 2.440 . 8.000 6.615 5.996 7.243 . 0 0 "[ . 1 . 2]" 1
157 1 10 GLU H 1 11 ASN HA 3.685 . 5.383 5.125 4.812 5.421 0.038 9 0 "[ . 1 . 2]" 1
158 1 11 ASN HA 1 11 ASN HB3 2.561 . 3.381 2.469 2.356 2.526 . 0 0 "[ . 1 . 2]" 1
159 1 11 ASN HA 1 11 ASN HB2 2.235 . 2.859 2.443 2.391 2.554 . 0 0 "[ . 1 . 2]" 1
160 1 11 ASN H 1 11 ASN HA 2.755 . 3.704 2.930 2.916 2.944 . 0 0 "[ . 1 . 2]" 1
161 1 11 ASN HA 1 12 TYR H 2.267 . 2.909 2.876 2.692 3.006 0.097 5 0 "[ . 1 . 2]" 1
162 1 11 ASN HB3 1 11 ASN HD21 2.646 . 3.521 2.784 2.231 2.932 . 0 0 "[ . 1 . 2]" 1
163 1 11 ASN HB2 1 11 ASN HD21 2.246 . 2.877 2.343 2.217 2.905 0.028 7 0 "[ . 1 . 2]" 1
164 1 11 ASN HD21 1 47 ASN HD22 3.749 . 5.505 3.957 3.211 4.635 . 0 0 "[ . 1 . 2]" 1
165 1 10 GLU HA 1 11 ASN H 3.068 . 4.244 3.529 3.482 3.568 . 0 0 "[ . 1 . 2]" 1
166 1 10 GLU HB2 1 11 ASN H 2.352 . 3.043 2.128 1.656 2.705 0.005 15 0 "[ . 1 . 2]" 1
167 1 11 ASN H 1 11 ASN HB2 2.611 . 3.463 3.792 3.610 3.927 0.464 20 0 "[ . 1 . 2]" 1
168 1 12 TYR HA 1 12 TYR HB2 2.212 . 2.824 2.468 2.435 2.529 . 0 0 "[ . 1 . 2]" 1
169 1 12 TYR HB2 1 12 TYR QD 2.343 . 3.029 2.283 2.264 2.311 . 0 0 "[ . 1 . 2]" 1
170 1 12 TYR HB2 1 12 TYR HD2 2.110 . 2.666 2.304 2.283 2.334 . 0 0 "[ . 1 . 2]" 1
171 1 5 LEU QD 1 12 TYR HB3 2.503 . 3.286 2.422 1.785 2.872 . 0 0 "[ . 1 . 2]" 1
172 1 6 LYS QG 1 12 TYR HB3 2.293 . 2.950 1.793 1.452 2.288 0.184 2 0 "[ . 1 . 2]" 1
173 1 12 TYR HB3 1 12 TYR QD 2.347 . 3.036 2.726 2.616 2.776 . 0 0 "[ . 1 . 2]" 1
174 1 12 TYR H 1 12 TYR QD 1.878 . 2.319 1.794 1.563 2.160 . 0 0 "[ . 1 . 2]" 1
175 1 12 TYR QD 1 78 ILE MG 2.422 . 3.155 2.266 1.677 2.651 0.012 12 0 "[ . 1 . 2]" 1
176 1 6 LYS H 1 12 TYR HD2 2.979 . 8.000 4.416 3.847 4.790 . 0 0 "[ . 1 . 2]" 1
177 1 12 TYR HD2 1 14 GLY HA2 3.149 . 8.000 6.057 5.713 6.317 . 0 0 "[ . 1 . 2]" 1
178 1 12 TYR HD2 1 78 ILE MG 2.396 . 3.114 2.269 1.677 2.658 0.001 12 0 "[ . 1 . 2]" 1
179 1 12 TYR QE 1 15 ASN HD22 2.462 . 3.220 2.644 2.311 3.364 0.144 12 0 "[ . 1 . 2]" 1
180 1 12 TYR QE 1 15 ASN H 2.565 . 3.388 3.406 3.327 3.465 0.077 13 0 "[ . 1 . 2]" 1
181 1 12 TYR HE2 1 15 ASN HB2 2.906 . 8.000 5.317 5.035 5.762 . 0 0 "[ . 1 . 2]" 1
182 1 12 TYR HE2 1 16 VAL H 2.429 . 8.000 3.559 3.281 3.815 . 0 0 "[ . 1 . 2]" 1
183 1 12 TYR HE2 1 52 TYR HB2 2.501 . 8.000 7.628 7.010 7.844 . 0 0 "[ . 1 . 2]" 1
184 1 6 LYS QD 1 12 TYR H 2.023 . 2.535 2.571 2.482 2.654 0.119 19 0 "[ . 1 . 2]" 1
185 1 10 GLU HA 1 12 TYR H 3.294 . 4.651 4.416 4.107 4.676 0.025 9 0 "[ . 1 . 2]" 1
186 1 11 ASN H 1 12 TYR H 2.564 . 3.386 2.484 2.143 2.814 . 0 0 "[ . 1 . 2]" 1
187 1 12 TYR H 1 12 TYR HA 2.086 . 2.630 2.643 2.510 2.682 0.052 7 0 "[ . 1 . 2]" 1
188 1 12 TYR H 1 12 TYR HB2 2.185 . 8.000 3.629 3.608 3.665 . 0 0 "[ . 1 . 2]" 1
189 1 12 TYR H 1 47 ASN QB 2.319 . 8.000 5.853 5.381 6.235 . 0 0 "[ . 1 . 2]" 1
190 1 13 ARG HA 1 13 ARG HB3 2.548 . 3.359 2.506 2.360 2.565 . 0 0 "[ . 1 . 2]" 1
191 1 13 ARG HA 1 13 ARG HD3 2.414 . 8.000 4.305 4.089 4.690 . 0 0 "[ . 1 . 2]" 1
192 1 13 ARG HA 1 13 ARG HD2 2.615 . 8.000 3.579 3.215 4.769 . 0 0 "[ . 1 . 2]" 1
193 1 13 ARG HA 1 13 ARG HG3 2.167 . 2.754 2.387 2.246 2.723 . 0 0 "[ . 1 . 2]" 1
194 1 13 ARG HB3 1 15 ASN HD22 2.492 . 8.000 3.580 3.267 4.035 . 0 0 "[ . 1 . 2]" 1
195 1 13 ARG HB3 1 15 ASN H 2.532 . 8.000 4.520 4.084 5.011 . 0 0 "[ . 1 . 2]" 1
196 1 3 GLN HE21 1 13 ARG HB2 1.864 . 8.000 3.832 3.008 4.587 . 0 0 "[ . 1 . 2]" 1
197 1 3 GLN HE22 1 13 ARG HB2 2.164 . 8.000 4.686 3.683 5.202 . 0 0 "[ . 1 . 2]" 1
198 1 13 ARG HB2 1 13 ARG HD3 1.757 . 2.143 2.342 2.007 3.097 0.954 20 3 "[ . *- 1 . +]" 1
199 1 5 LEU HB3 1 13 ARG HD3 2.420 . 8.000 7.245 6.576 7.628 . 0 0 "[ . 1 . 2]" 1
200 1 12 TYR HD2 1 13 ARG HD3 2.087 . 2.631 2.659 1.958 3.096 0.465 20 0 "[ . 1 . 2]" 1
201 1 12 TYR QD 1 13 ARG HD2 2.562 . 3.382 2.693 1.977 3.040 . 0 0 "[ . 1 . 2]" 1
202 1 12 TYR HD2 1 13 ARG HD2 2.327 . 3.004 2.707 1.979 3.045 0.041 6 0 "[ . 1 . 2]" 1
203 1 13 ARG HB2 1 13 ARG HD2 2.174 . 8.000 2.780 2.167 3.437 . 0 0 "[ . 1 . 2]" 1
204 1 13 ARG HB2 1 13 ARG HG3 2.646 . 3.521 2.944 2.867 2.977 . 0 0 "[ . 1 . 2]" 1
205 1 12 TYR HA 1 13 ARG H 2.022 . 8.000 3.561 3.532 3.598 . 0 0 "[ . 1 . 2]" 1
206 1 12 TYR HD2 1 13 ARG H 3.053 . 4.218 3.034 2.544 3.409 . 0 0 "[ . 1 . 2]" 1
207 1 13 ARG H 1 13 ARG HA 2.804 . 3.787 2.924 2.910 2.944 . 0 0 "[ . 1 . 2]" 1
208 1 13 ARG H 1 13 ARG HB3 3.056 . 4.223 3.758 3.671 3.928 . 0 0 "[ . 1 . 2]" 1
209 1 13 ARG H 1 13 ARG HB2 2.422 . 3.155 2.640 2.465 2.977 . 0 0 "[ . 1 . 2]" 1
210 1 13 ARG H 1 13 ARG HD2 2.814 . 3.804 2.754 2.213 3.940 0.136 6 0 "[ . 1 . 2]" 1
211 1 13 ARG H 1 13 ARG HG3 2.658 . 3.541 3.732 3.079 3.888 0.347 5 0 "[ . 1 . 2]" 1
212 1 13 ARG H 1 15 ASN HD22 2.887 . 3.929 3.887 3.543 4.071 0.142 14 0 "[ . 1 . 2]" 1
213 1 14 GLY HA3 1 52 TYR QD 2.631 . 3.496 2.808 2.481 3.194 . 0 0 "[ . 1 . 2]" 1
214 1 14 GLY HA2 1 15 ASN HD21 2.490 . 8.000 4.839 4.299 6.088 . 0 0 "[ . 1 . 2]" 1
215 1 3 GLN HE22 1 14 GLY H 2.584 . 8.000 5.932 5.418 6.499 . 0 0 "[ . 1 . 2]" 1
216 1 13 ARG HB2 1 14 GLY H 2.046 . 2.569 2.180 1.616 2.610 0.041 2 0 "[ . 1 . 2]" 1
217 1 13 ARG H 1 14 GLY H 2.437 . 3.179 2.340 1.897 2.836 . 0 0 "[ . 1 . 2]" 1
218 1 14 GLY H 1 14 GLY HA2 2.663 . 3.549 2.469 2.345 2.637 . 0 0 "[ . 1 . 2]" 1
219 1 12 TYR HE2 1 15 ASN HA 3.504 . 8.000 6.107 5.951 6.218 . 0 0 "[ . 1 . 2]" 1
220 1 15 ASN HA 1 15 ASN HB2 2.327 . 3.004 2.608 2.519 2.639 . 0 0 "[ . 1 . 2]" 1
221 1 15 ASN HA 1 15 ASN HB3 2.205 . 2.813 2.316 2.297 2.378 . 0 0 "[ . 1 . 2]" 1
222 1 15 ASN HA 1 15 ASN HD21 3.263 . 4.594 3.897 3.763 4.407 . 0 0 "[ . 1 . 2]" 1
223 1 15 ASN HA 1 16 VAL H 2.514 . 8.000 3.575 3.562 3.612 . 0 0 "[ . 1 . 2]" 1
224 1 15 ASN HA 1 52 TYR HD1 2.514 . 8.000 5.544 5.183 5.719 . 0 0 "[ . 1 . 2]" 1
225 1 15 ASN HA 1 52 TYR QE 2.611 . 8.000 5.081 4.724 5.291 . 0 0 "[ . 1 . 2]" 1
226 1 14 GLY HA3 1 15 ASN HB2 3.743 . 8.000 6.450 6.329 6.524 . 0 0 "[ . 1 . 2]" 1
227 1 3 GLN HE21 1 15 ASN HB3 2.021 . 8.000 3.244 2.688 4.182 . 0 0 "[ . 1 . 2]" 1
228 1 3 GLN HE22 1 15 ASN HB3 2.264 . 2.905 2.545 1.775 2.925 0.020 6 0 "[ . 1 . 2]" 1
229 1 15 ASN HB3 1 52 TYR QE 2.244 . 8.000 6.879 6.485 7.148 . 0 0 "[ . 1 . 2]" 1
230 1 3 GLN QG 1 15 ASN HD21 2.543 . 8.000 3.627 2.570 4.984 . 0 0 "[ . 1 . 2]" 1
231 1 13 ARG HD3 1 15 ASN HD21 2.491 . 3.266 3.345 3.012 3.774 0.508 20 1 "[ . 1 . +]" 1
232 1 13 ARG HD2 1 15 ASN HD21 2.735 . 8.000 4.363 3.377 4.694 . 0 0 "[ . 1 . 2]" 1
233 1 15 ASN HB3 1 15 ASN HD21 2.327 . 3.004 2.199 2.157 2.253 . 0 0 "[ . 1 . 2]" 1
234 1 13 ARG HD3 1 15 ASN HD22 2.692 . 3.598 2.537 1.741 3.111 0.045 14 0 "[ . 1 . 2]" 1
235 1 13 ARG HD2 1 15 ASN HD22 2.262 . 8.000 3.663 2.575 4.105 . 0 0 "[ . 1 . 2]" 1
236 1 14 GLY HA3 1 15 ASN H 2.073 . 8.000 3.545 3.529 3.567 . 0 0 "[ . 1 . 2]" 1
237 1 14 GLY HA2 1 15 ASN H 2.311 . 2.978 2.569 2.407 2.749 . 0 0 "[ . 1 . 2]" 1
238 1 15 ASN H 1 15 ASN HA 2.521 . 3.315 2.939 2.932 2.949 . 0 0 "[ . 1 . 2]" 1
239 1 15 ASN H 1 15 ASN HB2 2.140 . 8.000 3.649 3.586 3.820 . 0 0 "[ . 1 . 2]" 1
240 1 15 ASN H 1 15 ASN HD22 3.057 . 4.225 3.312 3.042 3.956 . 0 0 "[ . 1 . 2]" 1
241 1 16 VAL HA 1 16 VAL HB 2.658 . 3.541 3.016 3.014 3.020 . 0 0 "[ . 1 . 2]" 1
242 1 16 VAL HB 1 16 VAL MG2 1.908 . 2.363 2.126 2.123 2.128 . 0 0 "[ . 1 . 2]" 1
243 1 16 VAL HB 1 16 VAL MG1 1.901 . 2.353 2.127 2.123 2.130 . 0 0 "[ . 1 . 2]" 1
244 1 16 VAL HB 1 78 ILE MD 2.372 . 3.075 2.176 2.057 2.321 . 0 0 "[ . 1 . 2]" 1
245 1 15 ASN H 1 16 VAL MG2 2.493 . 8.000 4.207 4.034 4.340 . 0 0 "[ . 1 . 2]" 1
246 1 16 VAL HA 1 16 VAL MG2 2.032 . 2.548 2.337 2.318 2.360 . 0 0 "[ . 1 . 2]" 1
247 1 16 VAL MG2 1 19 THR HA 2.480 . 8.000 6.615 6.427 6.859 . 0 0 "[ . 1 . 2]" 1
248 1 16 VAL MG2 1 78 ILE MG 2.311 . 8.000 3.315 3.001 3.569 . 0 0 "[ . 1 . 2]" 1
249 1 16 VAL HA 1 16 VAL MG1 2.234 . 2.858 2.438 2.420 2.453 . 0 0 "[ . 1 . 2]" 1
250 1 16 VAL MG1 1 16 VAL MG2 1.948 . 2.422 2.087 2.080 2.096 . 0 0 "[ . 1 . 2]" 1
251 1 16 VAL MG1 1 18 VAL MG1 2.556 . 8.000 4.008 3.862 4.095 . 0 0 "[ . 1 . 2]" 1
252 1 16 VAL MG1 1 78 ILE HG13 2.717 . 8.000 5.055 4.824 5.295 . 0 0 "[ . 1 . 2]" 1
253 1 3 GLN HE22 1 16 VAL H 3.145 . 8.000 5.487 5.105 5.739 . 0 0 "[ . 1 . 2]" 1
254 1 14 GLY HA2 1 16 VAL H 3.563 . 5.150 4.829 4.684 5.005 . 0 0 "[ . 1 . 2]" 1
255 1 15 ASN H 1 16 VAL H 2.345 . 3.032 2.520 2.309 2.636 . 0 0 "[ . 1 . 2]" 1
256 1 16 VAL H 1 16 VAL HA 2.194 . 2.796 2.798 2.780 2.815 0.019 2 0 "[ . 1 . 2]" 1
257 1 16 VAL H 1 16 VAL HB 1.936 . 2.405 2.447 2.436 2.462 0.057 12 0 "[ . 1 . 2]" 1
258 1 16 VAL H 1 16 VAL MG2 1.663 . 2.009 2.068 2.054 2.082 0.073 5 0 "[ . 1 . 2]" 1
259 1 16 VAL H 1 16 VAL MG1 1.920 . 8.000 3.730 3.718 3.739 . 0 0 "[ . 1 . 2]" 1
260 1 16 VAL MG1 1 17 ALA HA 2.809 . 3.795 3.538 3.482 3.605 . 0 0 "[ . 1 . 2]" 1
261 1 17 ALA HA 1 17 ALA MB 2.045 . 2.568 2.128 2.125 2.132 . 0 0 "[ . 1 . 2]" 1
262 1 17 ALA HA 1 52 TYR HD1 2.589 . 3.427 3.511 3.442 3.612 0.185 16 0 "[ . 1 . 2]" 1
263 1 16 VAL HA 1 17 ALA MB 2.504 . 8.000 3.949 3.889 3.986 . 0 0 "[ . 1 . 2]" 1
264 1 17 ALA H 1 17 ALA MB 2.124 . 2.688 2.464 2.440 2.504 . 0 0 "[ . 1 . 2]" 1
265 1 17 ALA MB 1 52 TYR HD1 1.834 . 2.254 2.177 1.928 2.282 0.028 20 0 "[ . 1 . 2]" 1
266 1 17 ALA MB 1 52 TYR QE 1.898 . 8.000 3.332 3.171 3.502 . 0 0 "[ . 1 . 2]" 1
267 1 17 ALA MB 1 53 CYS H 3.065 . 4.239 4.024 3.853 4.150 . 0 0 "[ . 1 . 2]" 1
268 1 16 VAL HA 1 17 ALA H 1.780 . 2.176 2.127 2.102 2.153 . 0 0 "[ . 1 . 2]" 1
269 1 16 VAL HB 1 17 ALA H 3.491 . 5.014 4.215 4.151 4.251 . 0 0 "[ . 1 . 2]" 1
270 1 16 VAL MG2 1 17 ALA H 2.478 . 8.000 3.928 3.878 3.957 . 0 0 "[ . 1 . 2]" 1
271 1 16 VAL MG1 1 17 ALA H 2.132 . 2.700 2.674 2.577 2.735 0.035 12 0 "[ . 1 . 2]" 1
272 1 17 ALA H 1 17 ALA HA 2.771 . 3.731 2.951 2.946 2.956 . 0 0 "[ . 1 . 2]" 1
273 1 17 ALA H 1 18 VAL MG1 2.868 . 8.000 5.195 5.142 5.260 . 0 0 "[ . 1 . 2]" 1
274 1 17 ALA H 1 18 VAL H 1.964 . 2.446 2.369 2.150 2.460 0.014 5 0 "[ . 1 . 2]" 1
275 1 18 VAL HA 1 18 VAL HB 2.376 . 3.081 3.036 3.031 3.042 . 0 0 "[ . 1 . 2]" 1
276 1 18 VAL HA 1 18 VAL MG1 2.641 . 3.513 2.434 2.401 2.473 . 0 0 "[ . 1 . 2]" 1
277 1 18 VAL HA 1 18 VAL MG2 2.492 . 3.268 2.379 2.335 2.426 . 0 0 "[ . 1 . 2]" 1
278 1 18 VAL HA 1 19 THR MG 2.497 . 8.000 3.549 3.453 3.647 . 0 0 "[ . 1 . 2]" 1
279 1 18 VAL HB 1 18 VAL MG1 2.034 . 2.551 2.129 2.124 2.133 . 0 0 "[ . 1 . 2]" 1
280 1 18 VAL HB 1 18 VAL MG2 1.991 . 2.487 2.129 2.126 2.132 . 0 0 "[ . 1 . 2]" 1
281 1 18 VAL H 1 18 VAL HB 2.532 . 3.334 2.783 2.690 2.831 . 0 0 "[ . 1 . 2]" 1
282 1 17 ALA H 1 18 VAL MG2 2.502 . 3.285 3.117 3.010 3.298 0.013 6 0 "[ . 1 . 2]" 1
283 1 16 VAL HA 1 18 VAL H 2.345 . 8.000 3.626 3.472 3.712 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL MG1 1 18 VAL H 1.940 . 2.410 1.827 1.714 2.018 . 0 0 "[ . 1 . 2]" 1
285 1 17 ALA HA 1 18 VAL H 2.653 . 3.533 2.949 2.866 3.059 . 0 0 "[ . 1 . 2]" 1
286 1 18 VAL H 1 18 VAL HA 2.438 . 3.181 2.931 2.924 2.940 . 0 0 "[ . 1 . 2]" 1
287 1 18 VAL H 1 18 VAL MG1 2.228 . 8.000 3.892 3.843 3.919 . 0 0 "[ . 1 . 2]" 1
288 1 18 VAL H 1 18 VAL MG2 2.337 . 3.020 2.990 2.943 3.024 0.004 10 0 "[ . 1 . 2]" 1
289 1 18 VAL H 1 78 ILE HG12 3.482 . 8.000 7.901 7.668 8.051 0.051 17 0 "[ . 1 . 2]" 1
290 1 19 THR HB 1 19 THR MG 1.804 . 2.211 2.135 2.129 2.139 . 0 0 "[ . 1 . 2]" 1
291 1 19 THR HB 1 21 SER H 2.202 . 2.808 2.743 2.436 2.861 0.053 20 0 "[ . 1 . 2]" 1
292 1 19 THR HB 1 74 GLU HB3 2.162 . 2.746 2.113 1.852 2.521 . 0 0 "[ . 1 . 2]" 1
293 1 19 THR HB 1 74 GLU HB2 2.455 . 3.208 3.068 2.645 3.320 0.112 20 0 "[ . 1 . 2]" 1
294 1 19 THR MG 1 23 HIS HB3 2.462 . 3.219 3.095 2.933 3.269 0.050 8 0 "[ . 1 . 2]" 1
295 1 19 THR MG 1 23 HIS HB2 2.329 . 3.007 2.144 1.948 2.481 . 0 0 "[ . 1 . 2]" 1
296 1 19 THR MG 1 64 CYS HB3 2.536 . 8.000 4.142 4.051 4.316 . 0 0 "[ . 1 . 2]" 1
297 1 19 THR MG 1 74 GLU HB2 2.460 . 3.216 2.079 1.796 2.659 . 0 0 "[ . 1 . 2]" 1
298 1 18 VAL HA 1 19 THR H 1.787 . 2.186 2.230 2.199 2.260 0.074 20 0 "[ . 1 . 2]" 1
299 1 18 VAL HB 1 19 THR H 2.320 . 8.000 3.995 3.938 4.055 . 0 0 "[ . 1 . 2]" 1
300 1 18 VAL MG1 1 19 THR H 1.972 . 2.458 2.353 2.281 2.442 . 0 0 "[ . 1 . 2]" 1
301 1 18 VAL MG2 1 19 THR H 1.849 . 8.000 3.909 3.861 3.964 . 0 0 "[ . 1 . 2]" 1
302 1 19 THR H 1 19 THR HA 2.291 . 2.947 2.805 2.784 2.818 . 0 0 "[ . 1 . 2]" 1
303 1 19 THR H 1 19 THR MG 1.915 . 2.374 2.010 1.941 2.115 . 0 0 "[ . 1 . 2]" 1
304 1 20 VAL HA 1 77 LYS H 2.641 . 3.513 2.443 2.161 2.759 . 0 0 "[ . 1 . 2]" 1
305 1 20 VAL HA 1 20 VAL HB 2.147 . 2.723 2.424 2.381 2.445 . 0 0 "[ . 1 . 2]" 1
306 1 20 VAL HB 1 20 VAL MG1 2.105 . 2.659 2.120 2.115 2.127 . 0 0 "[ . 1 . 2]" 1
307 1 20 VAL HB 1 20 VAL MG2 2.067 . 2.601 2.125 2.118 2.130 . 0 0 "[ . 1 . 2]" 1
308 1 20 VAL HA 1 20 VAL MG2 2.165 . 2.751 2.394 2.362 2.443 . 0 0 "[ . 1 . 2]" 1
309 1 20 VAL MG2 1 74 GLU HB3 2.613 . 8.000 5.987 5.618 6.313 . 0 0 "[ . 1 . 2]" 1
310 1 20 VAL MG2 1 77 LYS H 2.381 . 3.089 3.018 2.734 3.165 0.076 8 0 "[ . 1 . 2]" 1
311 1 18 VAL MG1 1 20 VAL H 2.763 . 8.000 5.010 4.953 5.080 . 0 0 "[ . 1 . 2]" 1
312 1 19 THR HA 1 20 VAL H 2.085 . 2.628 2.533 2.477 2.589 . 0 0 "[ . 1 . 2]" 1
313 1 19 THR MG 1 20 VAL H 1.961 . 8.000 3.701 3.638 3.777 . 0 0 "[ . 1 . 2]" 1
314 1 20 VAL H 1 20 VAL HB 2.047 . 2.571 2.599 2.578 2.629 0.058 14 0 "[ . 1 . 2]" 1
315 1 20 VAL H 1 20 VAL MG1 1.921 . 2.382 1.986 1.905 2.044 . 0 0 "[ . 1 . 2]" 1
316 1 20 VAL H 1 20 VAL MG2 2.335 . 8.000 3.774 3.763 3.783 . 0 0 "[ . 1 . 2]" 1
317 1 20 VAL H 1 23 HIS HD1 3.267 . 8.000 5.360 4.670 6.095 . 0 0 "[ . 1 . 2]" 1
318 1 20 VAL H 1 74 GLU HB3 2.428 . 8.000 3.565 3.357 3.836 . 0 0 "[ . 1 . 2]" 1
319 1 21 SER HB2 1 23 HIS H 2.932 . 4.007 2.976 2.770 3.431 . 0 0 "[ . 1 . 2]" 1
320 1 21 SER HB3 1 23 HIS H 2.177 . 8.000 3.937 3.753 4.128 . 0 0 "[ . 1 . 2]" 1
321 1 20 VAL MG1 1 21 SER H 2.323 . 2.997 2.289 2.145 2.584 . 0 0 "[ . 1 . 2]" 1
322 1 20 VAL MG2 1 21 SER H 2.618 . 8.000 3.687 3.579 3.887 . 0 0 "[ . 1 . 2]" 1
323 1 20 VAL H 1 21 SER H 2.451 . 3.202 2.639 2.559 2.741 . 0 0 "[ . 1 . 2]" 1
324 1 21 SER H 1 21 SER HA 2.257 . 2.894 2.919 2.905 2.936 0.042 14 0 "[ . 1 . 2]" 1
325 1 21 SER H 1 21 SER HB2 2.296 . 2.955 2.604 2.528 2.686 . 0 0 "[ . 1 . 2]" 1
326 1 21 SER H 1 21 SER HB3 2.907 . 3.963 3.651 3.615 3.710 . 0 0 "[ . 1 . 2]" 1
327 1 21 SER H 1 22 GLY H 2.554 . 8.000 4.411 4.277 4.487 . 0 0 "[ . 1 . 2]" 1
328 1 21 SER H 1 23 HIS HD1 2.635 . 8.000 3.504 2.981 4.062 . 0 0 "[ . 1 . 2]" 1
329 1 18 VAL MG1 1 22 GLY HA2 2.851 . 3.867 3.034 2.745 3.336 . 0 0 "[ . 1 . 2]" 1
330 1 19 THR H 1 22 GLY HA2 3.399 . 8.000 5.351 5.123 5.580 . 0 0 "[ . 1 . 2]" 1
331 1 21 SER H 1 22 GLY HA2 3.196 . 8.000 5.328 5.177 5.410 . 0 0 "[ . 1 . 2]" 1
332 1 18 VAL MG1 1 22 GLY H 2.839 . 8.000 4.958 4.737 5.244 . 0 0 "[ . 1 . 2]" 1
333 1 21 SER HA 1 22 GLY H 2.181 . 8.000 2.760 2.661 2.891 . 0 0 "[ . 1 . 2]" 1
334 1 22 GLY H 1 22 GLY HA2 2.305 . 2.969 2.901 2.879 2.923 . 0 0 "[ . 1 . 2]" 1
335 1 22 GLY H 1 22 GLY HA3 1.981 . 2.472 2.331 2.313 2.352 . 0 0 "[ . 1 . 2]" 1
336 1 23 HIS HA 1 23 HIS HB3 2.230 . 2.851 2.448 2.383 2.502 . 0 0 "[ . 1 . 2]" 1
337 1 23 HIS HB3 1 23 HIS HD2 2.270 . 2.914 2.848 2.730 2.947 0.033 7 0 "[ . 1 . 2]" 1
338 1 23 HIS HB3 1 66 THR MG 2.557 . 3.375 2.550 2.376 2.772 . 0 0 "[ . 1 . 2]" 1
339 1 23 HIS HB2 1 68 ASN HD21 3.026 . 4.170 4.258 4.190 4.900 0.730 10 1 "[ . + . 2]" 1
340 1 23 HIS HA 1 23 HIS HD1 1.849 . 8.000 4.323 3.880 4.503 . 0 0 "[ . 1 . 2]" 1
341 1 23 HIS HB2 1 23 HIS HD1 2.910 . 3.968 2.531 2.478 2.673 . 0 0 "[ . 1 . 2]" 1
342 1 23 HIS HD2 1 68 ASN QB 2.358 . 3.053 2.579 1.700 2.987 . 0 0 "[ . 1 . 2]" 1
343 1 18 VAL MG2 1 23 HIS H 3.213 . 8.000 5.648 5.426 5.921 . 0 0 "[ . 1 . 2]" 1
344 1 19 THR MG 1 23 HIS H 1.899 . 8.000 3.755 3.649 3.845 . 0 0 "[ . 1 . 2]" 1
345 1 19 THR H 1 23 HIS H 2.339 . 8.000 3.873 3.613 4.110 . 0 0 "[ . 1 . 2]" 1
346 1 22 GLY HA2 1 23 HIS H 3.145 . 4.382 2.952 2.873 3.025 . 0 0 "[ . 1 . 2]" 1
347 1 22 GLY H 1 23 HIS H 1.863 . 8.000 3.069 2.887 3.276 . 0 0 "[ . 1 . 2]" 1
348 1 23 HIS H 1 23 HIS HA 2.556 . 3.372 2.920 2.915 2.933 . 0 0 "[ . 1 . 2]" 1
349 1 23 HIS H 1 23 HIS HB2 2.523 . 3.319 2.563 2.460 2.712 . 0 0 "[ . 1 . 2]" 1
350 1 23 HIS H 1 23 HIS HD1 2.779 . 3.744 2.840 2.479 3.200 . 0 0 "[ . 1 . 2]" 1
351 1 17 ALA MB 1 24 THR HA 2.526 . 8.000 5.557 5.458 5.714 . 0 0 "[ . 1 . 2]" 1
352 1 18 VAL HA 1 24 THR HA 2.424 . 3.158 3.180 3.014 3.258 0.100 14 0 "[ . 1 . 2]" 1
353 1 18 VAL MG1 1 24 THR HA 2.582 . 3.415 2.890 2.650 3.026 . 0 0 "[ . 1 . 2]" 1
354 1 24 THR HB 1 24 THR MG 2.131 . 2.699 2.125 2.117 2.131 . 0 0 "[ . 1 . 2]" 1
355 1 24 THR HB 1 25 CYS H 2.395 . 8.000 4.353 4.320 4.382 . 0 0 "[ . 1 . 2]" 1
356 1 24 THR HB 1 67 THR H 3.364 . 4.779 3.438 3.227 3.669 . 0 0 "[ . 1 . 2]" 1
357 1 23 HIS HA 1 24 THR H 1.593 . 8.000 2.149 2.116 2.188 . 0 0 "[ . 1 . 2]" 1
358 1 23 HIS HB3 1 24 THR H 2.515 . 3.306 3.270 3.167 3.343 0.037 20 0 "[ . 1 . 2]" 1
359 1 23 HIS HB2 1 24 THR H 2.109 . 8.000 4.150 3.987 4.254 . 0 0 "[ . 1 . 2]" 1
360 1 24 THR H 1 24 THR HB 1.926 . 2.390 2.345 2.300 2.408 0.018 12 0 "[ . 1 . 2]" 1
361 1 24 THR H 1 24 THR MG 2.518 . 8.000 3.719 3.703 3.737 . 0 0 "[ . 1 . 2]" 1
362 1 19 THR MG 1 25 CYS HA 2.416 . 3.146 3.238 3.197 3.316 0.170 2 0 "[ . 1 . 2]" 1
363 1 25 CYS HA 1 66 THR HA 3.060 . 4.230 3.058 2.816 3.206 . 0 0 "[ . 1 . 2]" 1
364 1 25 CYS HB3 1 26 GLN H 2.462 . 8.000 3.647 3.542 3.709 . 0 0 "[ . 1 . 2]" 1
365 1 18 VAL HA 1 25 CYS H 2.348 . 3.037 2.316 2.170 2.451 . 0 0 "[ . 1 . 2]" 1
366 1 18 VAL MG2 1 25 CYS H 2.389 . 3.102 3.137 3.110 3.166 0.064 17 0 "[ . 1 . 2]" 1
367 1 19 THR H 1 25 CYS H 3.504 . 5.039 3.559 3.443 3.705 . 0 0 "[ . 1 . 2]" 1
368 1 23 HIS HB3 1 25 CYS H 2.681 . 8.000 5.674 5.571 5.785 . 0 0 "[ . 1 . 2]" 1
369 1 24 THR HA 1 25 CYS H 1.586 . 8.000 2.180 2.157 2.209 . 0 0 "[ . 1 . 2]" 1
370 1 24 THR MG 1 25 CYS H 2.185 . 2.782 2.784 2.695 2.821 0.039 18 0 "[ . 1 . 2]" 1
371 1 25 CYS H 1 25 CYS HB2 2.117 . 2.677 2.347 2.325 2.364 . 0 0 "[ . 1 . 2]" 1
372 1 26 GLN HA 1 26 GLN HG2 2.295 . 2.953 2.810 2.742 2.888 . 0 0 "[ . 1 . 2]" 1
373 1 26 GLN HB3 1 34 HIS H 2.874 . 8.000 4.510 4.426 4.587 . 0 0 "[ . 1 . 2]" 1
374 1 26 GLN HB2 1 33 PRO HD3 2.758 . 3.709 3.742 3.717 3.760 0.051 19 0 "[ . 1 . 2]" 1
375 1 26 GLN HB2 1 65 HIS HB2 2.536 . 8.000 4.125 3.896 4.359 . 0 0 "[ . 1 . 2]" 1
376 1 26 GLN HB2 1 67 THR HA 2.222 . 2.839 2.745 2.561 2.860 0.021 11 0 "[ . 1 . 2]" 1
377 1 26 GLN HE22 1 30 ALA MB 2.910 . 3.968 4.180 4.023 4.793 0.825 3 4 "[ + .* -1* . 2]" 1
378 1 26 GLN HE22 1 36 HIS HD2 2.585 . 3.420 2.029 1.787 2.321 . 0 0 "[ . 1 . 2]" 1
379 1 26 GLN HE21 1 26 GLN HG2 2.434 . 3.174 2.191 2.089 2.237 . 0 0 "[ . 1 . 2]" 1
380 1 26 GLN HE21 1 36 HIS HD2 2.462 . 8.000 3.620 3.079 3.970 . 0 0 "[ . 1 . 2]" 1
381 1 26 GLN HB3 1 26 GLN HG2 2.361 . 3.058 2.743 2.673 2.794 . 0 0 "[ . 1 . 2]" 1
382 1 26 GLN HB2 1 26 GLN HG2 2.564 . 3.386 2.900 2.864 2.942 . 0 0 "[ . 1 . 2]" 1
383 1 26 GLN HG2 1 28 TRP HZ3 2.972 . 8.000 8.059 8.009 8.094 0.094 10 0 "[ . 1 . 2]" 1
384 1 26 GLN HG2 1 34 HIS H 2.530 . 8.000 4.745 4.560 4.880 . 0 0 "[ . 1 . 2]" 1
385 1 26 GLN HG2 1 36 HIS HE1 2.749 . 8.000 6.181 5.960 6.324 . 0 0 "[ . 1 . 2]" 1
386 1 25 CYS HA 1 26 GLN H 1.760 . 2.147 2.121 2.092 2.148 0.001 14 0 "[ . 1 . 2]" 1
387 1 25 CYS H 1 26 GLN H 3.144 . 4.380 4.362 4.333 4.407 0.027 6 0 "[ . 1 . 2]" 1
388 1 26 GLN H 1 26 GLN HA 2.670 . 3.561 2.817 2.805 2.834 . 0 0 "[ . 1 . 2]" 1
389 1 26 GLN H 1 26 GLN HB3 1.983 . 2.475 2.278 2.225 2.311 . 0 0 "[ . 1 . 2]" 1
390 1 26 GLN H 1 26 GLN HB2 2.306 . 2.970 2.662 2.565 2.733 . 0 0 "[ . 1 . 2]" 1
391 1 26 GLN H 1 27 HIS H 3.098 . 8.000 4.605 4.574 4.630 . 0 0 "[ . 1 . 2]" 1
392 1 26 GLN H 1 66 THR HA 2.124 . 8.000 3.017 2.805 3.179 . 0 0 "[ . 1 . 2]" 1
393 1 26 GLN H 1 67 THR H 2.489 . 3.263 3.347 3.313 3.373 0.110 15 0 "[ . 1 . 2]" 1
394 1 27 HIS HA 1 27 HIS HB3 2.721 . 3.646 2.496 2.447 2.540 . 0 0 "[ . 1 . 2]" 1
395 1 27 HIS HA 1 27 HIS HB2 2.453 . 3.205 3.021 3.012 3.027 . 0 0 "[ . 1 . 2]" 1
396 1 27 HIS H 1 27 HIS HA 2.576 . 3.406 2.813 2.773 2.848 . 0 0 "[ . 1 . 2]" 1
397 1 27 HIS HA 1 28 TRP HD1 2.606 . 8.000 4.427 4.312 4.536 . 0 0 "[ . 1 . 2]" 1
398 1 27 HIS HB3 1 28 TRP H 2.225 . 2.844 2.890 2.857 2.926 0.082 6 0 "[ . 1 . 2]" 1
399 1 27 HIS HB2 1 27 HIS HD1 2.126 . 2.691 2.616 2.520 2.727 0.036 17 0 "[ . 1 . 2]" 1
400 1 27 HIS HB2 1 28 TRP H 2.283 . 8.000 3.997 3.908 4.065 . 0 0 "[ . 1 . 2]" 1
401 1 27 HIS HB2 1 29 SER H 2.434 . 8.000 3.765 3.502 3.988 . 0 0 "[ . 1 . 2]" 1
402 1 27 HIS HB2 1 30 ALA MB 2.235 . 2.859 1.950 1.782 2.166 . 0 0 "[ . 1 . 2]" 1
403 1 26 GLN HG2 1 27 HIS HD1 3.018 . 4.157 4.132 3.953 4.223 0.066 17 0 "[ . 1 . 2]" 1
404 1 27 HIS HD2 1 28 TRP H 2.944 . 8.000 4.384 4.293 4.488 . 0 0 "[ . 1 . 2]" 1
405 1 26 GLN HA 1 27 HIS H 1.967 . 2.450 2.229 2.165 2.285 . 0 0 "[ . 1 . 2]" 1
406 1 26 GLN HB2 1 27 HIS H 2.657 . 8.000 3.928 3.890 3.974 . 0 0 "[ . 1 . 2]" 1
407 1 26 GLN HE21 1 27 HIS H 2.316 . 8.000 3.836 3.537 3.991 . 0 0 "[ . 1 . 2]" 1
408 1 26 GLN HG2 1 27 HIS H 2.585 . 3.420 2.208 2.057 2.370 . 0 0 "[ . 1 . 2]" 1
409 1 27 HIS H 1 27 HIS HB3 2.589 . 8.000 3.594 3.581 3.613 . 0 0 "[ . 1 . 2]" 1
410 1 27 HIS H 1 27 HIS HB2 2.180 . 2.774 2.468 2.399 2.539 . 0 0 "[ . 1 . 2]" 1
411 1 27 HIS H 1 27 HIS HE1 3.161 . 4.410 4.439 4.366 4.477 0.067 6 0 "[ . 1 . 2]" 1
412 1 27 HIS H 1 30 ALA HA 2.728 . 8.000 6.017 5.883 6.178 . 0 0 "[ . 1 . 2]" 1
413 1 27 HIS H 1 30 ALA MB 2.524 . 3.321 2.996 2.859 3.118 . 0 0 "[ . 1 . 2]" 1
414 1 27 HIS H 1 51 ASN HB3 2.579 . 8.000 3.363 3.205 3.586 . 0 0 "[ . 1 . 2]" 1
415 1 27 HIS H 1 67 THR MG 2.645 . 8.000 3.942 3.864 4.051 . 0 0 "[ . 1 . 2]" 1
416 1 28 TRP HA 1 28 TRP HB3 2.793 . 3.768 2.453 2.432 2.467 . 0 0 "[ . 1 . 2]" 1
417 1 28 TRP HA 1 28 TRP HB2 2.477 . 3.244 3.023 3.019 3.027 . 0 0 "[ . 1 . 2]" 1
418 1 28 TRP HA 1 28 TRP HD1 2.502 . 8.000 4.491 4.455 4.524 . 0 0 "[ . 1 . 2]" 1
419 1 28 TRP HA 1 28 TRP HE3 2.174 . 2.765 2.561 2.459 2.660 . 0 0 "[ . 1 . 2]" 1
420 1 28 TRP H 1 28 TRP HA 2.711 . 3.629 2.839 2.832 2.846 . 0 0 "[ . 1 . 2]" 1
421 1 28 TRP HA 1 29 SER H 2.501 . 8.000 3.494 3.464 3.537 . 0 0 "[ . 1 . 2]" 1
422 1 28 TRP HA 1 30 ALA H 2.792 . 3.766 3.663 3.541 3.795 0.029 3 0 "[ . 1 . 2]" 1
423 1 28 TRP HA 1 36 HIS HE1 1.904 . 2.357 2.205 1.968 2.370 0.013 17 0 "[ . 1 . 2]" 1
424 1 28 TRP HB3 1 28 TRP HD1 2.513 . 8.000 3.686 3.661 3.707 . 0 0 "[ . 1 . 2]" 1
425 1 28 TRP HB3 1 28 TRP HE3 2.420 . 3.152 2.803 2.770 2.843 . 0 0 "[ . 1 . 2]" 1
426 1 28 TRP H 1 28 TRP HB3 2.373 . 8.000 3.605 3.597 3.614 . 0 0 "[ . 1 . 2]" 1
427 1 28 TRP HB3 1 29 SER HB2 2.770 . 8.000 6.550 6.459 6.619 . 0 0 "[ . 1 . 2]" 1
428 1 28 TRP HB3 1 40 PRO HD3 2.261 . 2.900 2.026 1.902 2.138 . 0 0 "[ . 1 . 2]" 1
429 1 28 TRP HB3 1 48 LEU HB3 2.966 . 4.066 2.310 2.181 2.481 . 0 0 "[ . 1 . 2]" 1
430 1 28 TRP HB3 1 48 LEU QD 2.946 . 4.031 2.927 2.770 3.072 . 0 0 "[ . 1 . 2]" 1
431 1 28 TRP HB2 1 28 TRP HD1 2.393 . 3.109 2.557 2.541 2.570 . 0 0 "[ . 1 . 2]" 1
432 1 28 TRP HB2 1 29 SER H 2.654 . 3.535 2.770 2.571 2.919 . 0 0 "[ . 1 . 2]" 1
433 1 28 TRP HB2 1 48 LEU HB3 2.901 . 3.953 2.389 2.265 2.497 . 0 0 "[ . 1 . 2]" 1
434 1 28 TRP HD1 1 51 ASN HB3 2.938 . 8.000 5.108 4.907 5.398 . 0 0 "[ . 1 . 2]" 1
435 1 28 TRP HE1 1 48 LEU HA 2.722 . 3.648 3.747 3.718 3.801 0.153 11 0 "[ . 1 . 2]" 1
436 1 28 TRP HE1 1 49 ASP H 2.858 . 8.000 4.359 4.044 4.570 . 0 0 "[ . 1 . 2]" 1
437 1 28 TRP HE1 1 51 ASN HA 2.632 . 3.498 3.394 3.223 3.532 0.034 15 0 "[ . 1 . 2]" 1
438 1 28 TRP HE1 1 54 ARG HB2 3.070 . 4.248 3.244 3.120 3.395 . 0 0 "[ . 1 . 2]" 1
439 1 28 TRP HB2 1 28 TRP HE3 2.473 . 8.000 4.196 4.179 4.215 . 0 0 "[ . 1 . 2]" 1
440 1 28 TRP HE3 1 48 LEU HB3 3.221 . 8.000 4.652 4.522 4.776 . 0 0 "[ . 1 . 2]" 1
441 1 28 TRP HE3 1 48 LEU QD 2.884 . 3.924 3.359 3.259 3.459 . 0 0 "[ . 1 . 2]" 1
442 1 28 TRP HE3 1 65 HIS HE1 2.456 . 3.210 3.242 3.212 3.261 0.051 10 0 "[ . 1 . 2]" 1
443 1 28 TRP HH2 1 54 ARG H 2.906 . 3.961 3.931 3.815 3.991 0.030 3 0 "[ . 1 . 2]" 1
444 1 28 TRP HH2 1 55 ASN HA 2.589 . 8.000 4.711 4.547 4.855 . 0 0 "[ . 1 . 2]" 1
445 1 27 HIS HA 1 28 TRP H 1.937 . 2.406 2.185 2.145 2.217 . 0 0 "[ . 1 . 2]" 1
446 1 28 TRP H 1 28 TRP HB2 2.324 . 2.999 2.530 2.496 2.575 . 0 0 "[ . 1 . 2]" 1
447 1 28 TRP H 1 28 TRP HE1 2.781 . 8.000 4.643 4.547 4.709 . 0 0 "[ . 1 . 2]" 1
448 1 28 TRP H 1 29 SER HB2 2.435 . 8.000 6.037 5.939 6.134 . 0 0 "[ . 1 . 2]" 1
449 1 28 TRP H 1 29 SER H 2.235 . 2.860 2.544 2.481 2.607 . 0 0 "[ . 1 . 2]" 1
450 1 28 TRP H 1 30 ALA H 2.644 . 8.000 3.846 3.741 3.956 . 0 0 "[ . 1 . 2]" 1
451 1 28 TRP H 1 51 ASN HB2 3.087 . 4.278 4.484 4.292 4.715 0.437 8 0 "[ . 1 . 2]" 1
452 1 28 TRP HZ2 1 64 CYS HB2 2.688 . 3.591 3.619 3.591 3.667 0.076 11 0 "[ . 1 . 2]" 1
453 1 28 TRP HZ3 1 38 ARG HD3 2.594 . 8.000 4.448 4.200 4.644 . 0 0 "[ . 1 . 2]" 1
454 1 28 TRP HZ3 1 63 TRP HH2 2.550 . 3.363 3.226 2.958 3.397 0.034 13 0 "[ . 1 . 2]" 1
455 1 29 SER HA 1 29 SER HB3 2.448 . 3.197 2.373 2.343 2.409 . 0 0 "[ . 1 . 2]" 1
456 1 29 SER HA 1 39 THR MG 2.724 . 3.651 3.620 3.391 3.702 0.051 3 0 "[ . 1 . 2]" 1
457 1 27 HIS HA 1 29 SER HB2 2.740 . 8.000 6.995 6.765 7.191 . 0 0 "[ . 1 . 2]" 1
458 1 29 SER HB3 1 40 PRO HG2 2.604 . 3.452 3.170 2.801 3.452 0.000 16 0 "[ . 1 . 2]" 1
459 1 27 HIS HB3 1 29 SER H 2.437 . 3.179 2.593 2.354 2.985 . 0 0 "[ . 1 . 2]" 1
460 1 28 TRP HD1 1 29 SER H 2.734 . 8.000 4.551 4.373 4.684 . 0 0 "[ . 1 . 2]" 1
461 1 29 SER H 1 29 SER HA 2.403 . 3.125 2.860 2.840 2.877 . 0 0 "[ . 1 . 2]" 1
462 1 29 SER H 1 29 SER HB3 2.145 . 2.720 2.771 2.726 2.815 0.095 18 0 "[ . 1 . 2]" 1
463 1 29 SER H 1 30 ALA HA 3.033 . 8.000 5.060 5.002 5.141 . 0 0 "[ . 1 . 2]" 1
464 1 29 SER H 1 40 PRO HD2 3.234 . 4.541 4.177 3.970 4.375 . 0 0 "[ . 1 . 2]" 1
465 1 30 ALA HA 1 30 ALA MB 1.963 . 2.445 2.130 2.127 2.133 . 0 0 "[ . 1 . 2]" 1
466 1 26 GLN HE21 1 30 ALA MB 2.332 . 8.000 3.369 3.156 3.835 . 0 0 "[ . 1 . 2]" 1
467 1 26 GLN HG2 1 30 ALA MB 2.332 . 3.012 2.541 2.312 3.038 0.026 6 0 "[ . 1 . 2]" 1
468 1 29 SER H 1 30 ALA MB 2.332 . 8.000 4.089 4.008 4.201 . 0 0 "[ . 1 . 2]" 1
469 1 30 ALA MB 1 65 HIS HB2 3.172 . 8.000 5.887 5.634 6.439 . 0 0 "[ . 1 . 2]" 1
470 1 27 HIS HA 1 30 ALA H 3.495 . 5.022 4.371 4.267 4.524 . 0 0 "[ . 1 . 2]" 1
471 1 27 HIS HB3 1 30 ALA H 2.352 . 8.000 3.035 2.671 3.461 . 0 0 "[ . 1 . 2]" 1
472 1 27 HIS HB2 1 30 ALA H 2.291 . 2.947 2.860 2.677 2.989 0.042 4 0 "[ . 1 . 2]" 1
473 1 29 SER HA 1 30 ALA H 2.351 . 8.000 3.325 3.218 3.389 . 0 0 "[ . 1 . 2]" 1
474 1 29 SER HB2 1 30 ALA H 3.424 . 4.890 4.081 3.952 4.249 . 0 0 "[ . 1 . 2]" 1
475 1 29 SER H 1 30 ALA H 2.121 . 2.683 2.492 2.397 2.621 . 0 0 "[ . 1 . 2]" 1
476 1 30 ALA H 1 30 ALA MB 2.077 . 2.616 2.334 2.277 2.449 . 0 0 "[ . 1 . 2]" 1
477 1 26 GLN HE22 1 31 GLN HA 3.152 . 4.394 4.186 3.898 4.412 0.018 16 0 "[ . 1 . 2]" 1
478 1 26 GLN HE21 1 31 GLN HA 2.397 . 8.000 5.090 4.490 5.403 . 0 0 "[ . 1 . 2]" 1
479 1 31 GLN HA 1 31 GLN HB2 2.622 . 3.481 3.020 3.013 3.026 . 0 0 "[ . 1 . 2]" 1
480 1 31 GLN HA 1 31 GLN HB3 2.266 . 2.908 2.525 2.508 2.578 . 0 0 "[ . 1 . 2]" 1
481 1 31 GLN HA 1 31 GLN HE21 2.811 . 3.799 2.112 2.040 2.308 . 0 0 "[ . 1 . 2]" 1
482 1 31 GLN HA 1 31 GLN HG2 2.320 . 2.993 2.776 2.661 2.849 . 0 0 "[ . 1 . 2]" 1
483 1 31 GLN HA 1 32 THR H 2.368 . 3.069 3.058 2.964 3.174 0.105 3 0 "[ . 1 . 2]" 1
484 1 31 GLN HA 1 36 HIS HD2 2.450 . 3.200 3.029 2.773 3.153 . 0 0 "[ . 1 . 2]" 1
485 1 31 GLN HA 1 36 HIS H 2.607 . 3.457 3.103 3.004 3.307 . 0 0 "[ . 1 . 2]" 1
486 1 31 GLN HB2 1 31 GLN HG2 2.068 . 2.603 2.585 2.551 2.640 0.037 6 0 "[ . 1 . 2]" 1
487 1 31 GLN HB3 1 35 THR HB 2.548 . 8.000 3.948 3.233 4.475 . 0 0 "[ . 1 . 2]" 1
488 1 31 GLN HE21 1 31 GLN HG2 2.122 . 2.685 2.241 2.183 2.270 . 0 0 "[ . 1 . 2]" 1
489 1 31 GLN HE21 1 36 HIS H 2.369 . 3.071 3.150 3.122 3.205 0.134 6 0 "[ . 1 . 2]" 1
490 1 31 GLN HE21 1 39 THR MG 1.999 . 2.499 2.453 2.354 2.523 0.024 6 0 "[ . 1 . 2]" 1
491 1 31 GLN HE22 1 31 GLN HG2 2.903 . 3.956 3.459 3.438 3.474 . 0 0 "[ . 1 . 2]" 1
492 1 31 GLN HE22 1 36 HIS HE1 2.924 . 3.993 4.028 3.997 4.078 0.085 6 0 "[ . 1 . 2]" 1
493 1 31 GLN HE22 1 39 THR MG 2.183 . 2.779 2.431 2.308 2.633 . 0 0 "[ . 1 . 2]" 1
494 1 31 GLN HG2 1 39 THR MG 2.153 . 2.732 3.031 2.963 3.090 0.358 18 0 "[ . 1 . 2]" 1
495 1 29 SER HA 1 31 GLN H 3.156 . 8.000 5.681 5.500 5.951 . 0 0 "[ . 1 . 2]" 1
496 1 30 ALA HA 1 31 GLN H 1.762 . 2.150 2.136 2.109 2.159 0.009 2 0 "[ . 1 . 2]" 1
497 1 30 ALA MB 1 31 GLN H 2.095 . 8.000 3.156 2.962 3.263 . 0 0 "[ . 1 . 2]" 1
498 1 30 ALA H 1 31 GLN H 2.872 . 8.000 4.383 4.311 4.484 . 0 0 "[ . 1 . 2]" 1
499 1 31 GLN H 1 31 GLN HB2 2.727 . 3.657 2.399 2.326 2.448 . 0 0 "[ . 1 . 2]" 1
500 1 31 GLN H 1 31 GLN HB3 2.389 . 8.000 3.623 3.584 3.658 . 0 0 "[ . 1 . 2]" 1
501 1 31 GLN H 1 31 GLN HG2 2.426 . 3.162 2.821 2.695 2.981 . 0 0 "[ . 1 . 2]" 1
502 1 31 GLN H 1 32 THR HA 3.517 . 5.063 5.011 4.797 5.099 0.036 2 0 "[ . 1 . 2]" 1
503 1 31 GLN H 1 32 THR MG 2.271 . 8.000 5.539 5.371 5.636 . 0 0 "[ . 1 . 2]" 1
504 1 31 GLN H 1 32 THR H 2.115 . 2.674 2.465 2.143 2.629 . 0 0 "[ . 1 . 2]" 1
505 1 32 THR HA 1 32 THR HB 2.511 . 3.299 3.036 3.033 3.040 . 0 0 "[ . 1 . 2]" 1
506 1 32 THR HA 1 32 THR MG 2.353 . 3.045 2.386 2.338 2.451 . 0 0 "[ . 1 . 2]" 1
507 1 32 THR HA 1 33 PRO HB2 1.952 . 8.000 4.471 4.412 4.540 . 0 0 "[ . 1 . 2]" 1
508 1 32 THR HB 1 32 THR MG 2.089 . 2.634 2.135 2.132 2.137 . 0 0 "[ . 1 . 2]" 1
509 1 32 THR HB 1 33 PRO HD2 2.079 . 8.000 5.198 5.091 5.301 . 0 0 "[ . 1 . 2]" 1
510 1 30 ALA HA 1 32 THR H 2.336 . 8.000 3.310 3.186 3.456 . 0 0 "[ . 1 . 2]" 1
511 1 30 ALA MB 1 32 THR H 2.193 . 2.794 2.404 2.317 2.501 . 0 0 "[ . 1 . 2]" 1
512 1 32 THR H 1 32 THR HA 2.317 . 2.988 2.929 2.899 2.953 . 0 0 "[ . 1 . 2]" 1
513 1 32 THR H 1 32 THR HB 2.237 . 2.863 2.787 2.683 2.885 0.022 13 0 "[ . 1 . 2]" 1
514 1 32 THR H 1 32 THR MG 2.402 . 8.000 3.915 3.881 3.954 . 0 0 "[ . 1 . 2]" 1
515 1 32 THR HA 1 33 PRO HA 2.855 . 3.874 2.497 2.386 2.634 . 0 0 "[ . 1 . 2]" 1
516 1 32 THR MG 1 33 PRO HA 2.296 . 2.955 1.843 1.759 1.960 . 0 0 "[ . 1 . 2]" 1
517 1 33 PRO HA 1 33 PRO HB2 2.124 . 2.688 2.756 2.740 2.778 0.090 13 0 "[ . 1 . 2]" 1
518 1 33 PRO HA 1 34 HIS H 2.753 . 3.700 3.583 3.567 3.601 . 0 0 "[ . 1 . 2]" 1
519 1 33 PRO HB2 1 33 PRO HG2 2.381 . 3.089 2.316 2.307 2.324 . 0 0 "[ . 1 . 2]" 1
520 1 33 PRO HB2 1 34 HIS H 3.009 . 4.141 3.069 2.846 3.192 . 0 0 "[ . 1 . 2]" 1
521 1 27 HIS H 1 33 PRO HD2 3.042 . 8.000 4.644 4.345 4.899 . 0 0 "[ . 1 . 2]" 1
522 1 33 PRO HD2 1 33 PRO HG3 2.596 . 3.439 2.687 2.672 2.706 . 0 0 "[ . 1 . 2]" 1
523 1 33 PRO HD2 1 33 PRO HG2 2.953 . 4.043 2.291 2.271 2.304 . 0 0 "[ . 1 . 2]" 1
524 1 33 PRO HB2 1 33 PRO HD3 3.282 . 4.628 3.905 3.883 3.936 . 0 0 "[ . 1 . 2]" 1
525 1 33 PRO HD3 1 33 PRO HG3 2.354 . 3.047 2.294 2.279 2.306 . 0 0 "[ . 1 . 2]" 1
526 1 33 PRO HB2 1 33 PRO HG3 2.807 . 3.792 2.688 2.675 2.703 . 0 0 "[ . 1 . 2]" 1
527 1 33 PRO HG3 1 34 HIS H 2.258 . 8.000 3.981 3.889 4.058 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLN HB2 1 33 PRO HG2 2.523 . 3.318 3.248 2.971 3.356 0.038 6 0 "[ . 1 . 2]" 1
529 1 33 PRO HD3 1 33 PRO HG2 2.792 . 3.766 2.973 2.957 2.984 . 0 0 "[ . 1 . 2]" 1
530 1 33 PRO HG2 1 34 HIS H 2.140 . 2.713 2.430 2.316 2.527 . 0 0 "[ . 1 . 2]" 1
531 1 34 HIS HA 1 34 HIS HB3 2.275 . 2.922 2.558 2.526 2.586 . 0 0 "[ . 1 . 2]" 1
532 1 34 HIS HA 1 34 HIS HB2 2.287 . 2.941 3.008 2.996 3.018 0.077 1 0 "[ . 1 . 2]" 1
533 1 30 ALA MB 1 34 HIS HB3 2.165 . 8.000 7.440 7.127 7.993 . 0 0 "[ . 1 . 2]" 1
534 1 26 GLN HB2 1 34 HIS H 2.030 . 8.000 4.438 4.343 4.482 . 0 0 "[ . 1 . 2]" 1
535 1 26 GLN HE21 1 34 HIS H 2.495 . 8.000 4.873 4.516 5.029 . 0 0 "[ . 1 . 2]" 1
536 1 32 THR HA 1 34 HIS H 2.128 . 8.000 3.312 3.146 3.485 . 0 0 "[ . 1 . 2]" 1
537 1 33 PRO HD2 1 34 HIS H 2.494 . 3.271 3.053 2.929 3.240 . 0 0 "[ . 1 . 2]" 1
538 1 33 PRO HD3 1 34 HIS H 2.096 . 8.000 4.119 4.058 4.220 . 0 0 "[ . 1 . 2]" 1
539 1 34 HIS H 1 34 HIS HB3 2.113 . 8.000 3.619 3.594 3.651 . 0 0 "[ . 1 . 2]" 1
540 1 34 HIS H 1 34 HIS HB2 2.447 . 3.195 2.375 2.332 2.434 . 0 0 "[ . 1 . 2]" 1
541 1 34 HIS H 1 35 THR MG 3.022 . 8.000 5.425 5.139 5.836 . 0 0 "[ . 1 . 2]" 1
542 1 35 THR HA 1 35 THR HB 2.514 . 3.304 2.542 2.361 2.683 . 0 0 "[ . 1 . 2]" 1
543 1 35 THR HB 1 35 THR MG 2.130 . 2.697 2.134 2.128 2.137 . 0 0 "[ . 1 . 2]" 1
544 1 34 HIS HA 1 35 THR H 1.847 . 2.273 2.136 2.104 2.165 . 0 0 "[ . 1 . 2]" 1
545 1 34 HIS HB3 1 35 THR H 2.575 . 3.404 3.296 3.198 3.404 . 0 0 "[ . 1 . 2]" 1
546 1 34 HIS HB2 1 35 THR H 2.898 . 8.000 4.308 4.248 4.362 . 0 0 "[ . 1 . 2]" 1
547 1 35 THR H 1 35 THR HA 2.543 . 3.351 2.884 2.873 2.906 . 0 0 "[ . 1 . 2]" 1
548 1 35 THR H 1 35 THR HB 2.139 . 8.000 3.417 2.813 3.620 . 0 0 "[ . 1 . 2]" 1
549 1 35 THR H 1 35 THR MG 2.258 . 2.896 2.508 1.745 2.933 0.037 19 0 "[ . 1 . 2]" 1
550 1 35 THR H 1 36 HIS H 2.727 . 8.000 3.965 3.906 4.056 . 0 0 "[ . 1 . 2]" 1
551 1 36 HIS HA 1 36 HIS HB3 2.284 . 2.936 2.408 2.393 2.426 . 0 0 "[ . 1 . 2]" 1
552 1 36 HIS HA 1 36 HIS HD2 2.182 . 8.000 4.349 4.260 4.390 . 0 0 "[ . 1 . 2]" 1
553 1 36 HIS HA 1 38 ARG HD2 2.745 . 8.000 4.870 4.502 5.144 . 0 0 "[ . 1 . 2]" 1
554 1 36 HIS HB3 1 36 HIS HD2 2.380 . 3.088 2.893 2.868 2.949 . 0 0 "[ . 1 . 2]" 1
555 1 36 HIS HB2 1 65 HIS HD2 3.167 . 4.421 4.395 4.180 4.503 0.082 6 0 "[ . 1 . 2]" 1
556 1 26 GLN HG2 1 36 HIS HD2 2.814 . 8.000 5.148 4.866 5.347 . 0 0 "[ . 1 . 2]" 1
557 1 31 GLN HE21 1 36 HIS HD2 2.591 . 3.430 3.399 3.154 3.469 0.039 5 0 "[ . 1 . 2]" 1
558 1 36 HIS HE1 1 48 LEU QD 2.834 . 8.000 4.359 4.175 4.764 . 0 0 "[ . 1 . 2]" 1
559 1 31 GLN HB3 1 36 HIS H 2.929 . 4.002 4.115 4.051 4.153 0.151 18 0 "[ . 1 . 2]" 1
560 1 31 GLN HE22 1 36 HIS H 2.404 . 3.126 2.515 2.389 2.770 . 0 0 "[ . 1 . 2]" 1
561 1 35 THR HA 1 36 HIS H 1.769 . 8.000 2.260 2.195 2.325 . 0 0 "[ . 1 . 2]" 1
562 1 35 THR HB 1 36 HIS H 2.402 . 8.000 4.164 3.975 4.493 . 0 0 "[ . 1 . 2]" 1
563 1 35 THR MG 1 36 HIS H 2.523 . 8.000 4.168 4.035 4.259 . 0 0 "[ . 1 . 2]" 1
564 1 36 HIS H 1 36 HIS HB3 3.083 . 4.271 2.901 2.864 2.939 . 0 0 "[ . 1 . 2]" 1
565 1 36 HIS H 1 36 HIS HB2 2.463 . 8.000 3.656 3.629 3.674 . 0 0 "[ . 1 . 2]" 1
566 1 36 HIS H 1 36 HIS HD2 2.601 . 3.447 2.154 1.963 2.242 . 0 0 "[ . 1 . 2]" 1
567 1 37 ASN HA 1 37 ASN HB3 1.947 . 2.421 2.440 2.249 2.547 0.126 17 0 "[ . 1 . 2]" 1
568 1 37 ASN H 1 37 ASN HA 2.249 . 2.881 2.917 2.894 2.942 0.061 20 0 "[ . 1 . 2]" 1
569 1 37 ASN HA 1 38 ARG HD3 2.353 . 8.000 6.018 5.716 6.363 . 0 0 "[ . 1 . 2]" 1
570 1 36 HIS HE1 1 37 ASN HB2 2.698 . 8.000 8.083 7.998 8.165 0.165 11 0 "[ . 1 . 2]" 1
571 1 35 THR HA 1 37 ASN HD22 3.078 . 8.000 7.021 6.236 8.114 0.114 12 0 "[ . 1 . 2]" 1
572 1 36 HIS HA 1 37 ASN HD21 2.822 . 3.818 3.773 3.111 4.559 0.741 3 2 "[ + . -1 . 2]" 1
573 1 36 HIS HA 1 37 ASN H 2.111 . 8.000 2.308 2.193 2.501 . 0 0 "[ . 1 . 2]" 1
574 1 36 HIS HB3 1 37 ASN H 2.299 . 8.000 3.901 3.574 4.065 . 0 0 "[ . 1 . 2]" 1
575 1 36 HIS HB2 1 37 ASN H 2.304 . 2.967 2.753 2.226 3.010 0.043 18 0 "[ . 1 . 2]" 1
576 1 37 ASN H 1 38 ARG HD2 2.864 . 3.889 3.070 2.750 3.288 . 0 0 "[ . 1 . 2]" 1
577 1 38 ARG HB3 1 56 PRO HG3 2.040 . 2.560 2.527 2.418 2.585 0.025 12 0 "[ . 1 . 2]" 1
578 1 38 ARG HD2 1 39 THR H 2.350 . 8.000 5.080 4.922 5.245 . 0 0 "[ . 1 . 2]" 1
579 1 38 ARG HD2 1 43 PHE QE 2.453 . 8.000 3.614 3.180 4.159 . 0 0 "[ . 1 . 2]" 1
580 1 36 HIS HB2 1 38 ARG HD3 2.617 . 3.473 3.526 3.381 3.602 0.129 3 0 "[ . 1 . 2]" 1
581 1 38 ARG HD3 1 38 ARG QG 2.179 . 2.772 2.295 2.264 2.342 . 0 0 "[ . 1 . 2]" 1
582 1 38 ARG HD3 1 63 TRP HZ2 2.388 . 3.101 3.234 3.151 3.302 0.201 16 0 "[ . 1 . 2]" 1
583 1 38 ARG HD2 1 38 ARG HE 2.984 . 4.097 2.889 2.755 2.962 . 0 0 "[ . 1 . 2]" 1
584 1 38 ARG HE 1 38 ARG QG 2.844 . 3.664 2.399 2.256 2.697 . 0 0 "[ . 1 . 2]" 1
585 1 38 ARG HD2 1 38 ARG QG 2.359 . 3.055 2.388 2.347 2.416 . 0 0 "[ . 1 . 2]" 1
586 1 38 ARG QG 1 39 THR H 1.952 . 8.000 4.452 4.378 4.529 . 0 0 "[ . 1 . 2]" 1
587 1 38 ARG QG 1 43 PHE QE 2.110 . 2.666 2.473 2.090 2.671 0.005 2 0 "[ . 1 . 2]" 1
588 1 38 ARG QG 1 63 TRP HH2 2.680 . 2.946 2.684 2.496 2.914 . 0 0 "[ . 1 . 2]" 1
589 1 38 ARG H 1 38 ARG HB2 2.129 . 2.696 2.466 2.379 2.653 . 0 0 "[ . 1 . 2]" 1
590 1 38 ARG H 1 38 ARG HB3 2.884 . 3.923 3.667 3.621 3.774 . 0 0 "[ . 1 . 2]" 1
591 1 39 THR HA 1 39 THR MG 1.804 . 8.000 2.318 2.278 2.372 . 0 0 "[ . 1 . 2]" 1
592 1 39 THR HA 1 40 PRO HD3 2.299 . 2.960 2.481 2.391 2.588 . 0 0 "[ . 1 . 2]" 1
593 1 39 THR HA 1 40 PRO HD2 2.143 . 2.717 2.449 2.307 2.558 . 0 0 "[ . 1 . 2]" 1
594 1 39 THR HA 1 41 GLU H 2.445 . 8.000 4.013 3.814 4.364 . 0 0 "[ . 1 . 2]" 1
595 1 39 THR HA 1 42 ASN H 2.554 . 8.000 4.437 4.342 4.533 . 0 0 "[ . 1 . 2]" 1
596 1 39 THR HA 1 43 PHE QB 2.436 . 8.000 5.176 4.933 5.327 . 0 0 "[ . 1 . 2]" 1
597 1 39 THR HA 1 48 LEU QD 2.731 . 3.663 2.591 2.478 2.723 . 0 0 "[ . 1 . 2]" 1
598 1 36 HIS HE1 1 39 THR HB 2.634 . 8.000 4.231 4.154 4.346 . 0 0 "[ . 1 . 2]" 1
599 1 39 THR HB 1 39 THR MG 1.803 . 2.209 2.143 2.137 2.150 . 0 0 "[ . 1 . 2]" 1
600 1 39 THR HB 1 41 GLU H 2.368 . 3.069 2.641 2.463 2.972 . 0 0 "[ . 1 . 2]" 1
601 1 28 TRP HB3 1 39 THR MG 2.332 . 8.000 4.060 3.918 4.129 . 0 0 "[ . 1 . 2]" 1
602 1 28 TRP HE3 1 39 THR MG 2.256 . 8.000 4.343 4.123 4.462 . 0 0 "[ . 1 . 2]" 1
603 1 36 HIS HE1 1 39 THR MG 1.817 . 2.230 2.155 2.002 2.254 0.024 19 0 "[ . 1 . 2]" 1
604 1 38 ARG HA 1 39 THR MG 2.908 . 3.965 4.139 4.092 4.204 0.239 7 0 "[ . 1 . 2]" 1
605 1 39 THR MG 1 41 GLU H 2.323 . 8.000 4.182 3.991 4.522 . 0 0 "[ . 1 . 2]" 1
606 1 36 HIS HE1 1 39 THR H 2.722 . 8.000 4.789 4.646 5.064 . 0 0 "[ . 1 . 2]" 1
607 1 39 THR H 1 39 THR MG 1.884 . 8.000 2.904 2.830 3.098 . 0 0 "[ . 1 . 2]" 1
608 1 39 THR H 1 43 PHE QB 2.392 . 8.000 4.241 4.120 4.469 . 0 0 "[ . 1 . 2]" 1
609 1 40 PRO HA 1 40 PRO HB3 2.157 . 2.738 2.255 2.241 2.270 . 0 0 "[ . 1 . 2]" 1
610 1 40 PRO HA 1 40 PRO HB2 2.564 . 3.386 2.797 2.764 2.860 . 0 0 "[ . 1 . 2]" 1
611 1 40 PRO HA 1 41 GLU H 2.802 . 3.783 3.423 3.286 3.543 . 0 0 "[ . 1 . 2]" 1
612 1 40 PRO HA 1 48 LEU HB3 2.892 . 3.937 3.332 2.914 3.641 . 0 0 "[ . 1 . 2]" 1
613 1 40 PRO HA 1 48 LEU QD 2.414 . 3.143 2.635 2.516 2.744 . 0 0 "[ . 1 . 2]" 1
614 1 40 PRO HB3 1 41 GLU H 2.394 . 8.000 4.360 4.049 4.527 . 0 0 "[ . 1 . 2]" 1
615 1 28 TRP HD1 1 40 PRO HD3 2.984 . 8.000 4.770 4.627 4.915 . 0 0 "[ . 1 . 2]" 1
616 1 39 THR MG 1 40 PRO HD3 2.002 . 8.000 3.933 3.830 4.080 . 0 0 "[ . 1 . 2]" 1
617 1 40 PRO HB3 1 40 PRO HD3 2.430 . 3.168 3.180 3.073 3.235 0.067 7 0 "[ . 1 . 2]" 1
618 1 40 PRO HD3 1 40 PRO HG3 2.546 . 3.356 2.266 2.249 2.283 . 0 0 "[ . 1 . 2]" 1
619 1 39 THR MG 1 40 PRO HD2 2.675 . 3.570 3.107 2.968 3.229 . 0 0 "[ . 1 . 2]" 1
620 1 40 PRO HD2 1 40 PRO HG3 2.089 . 2.634 2.718 2.698 2.731 0.097 20 0 "[ . 1 . 2]" 1
621 1 40 PRO HD2 1 41 GLU H 2.562 . 3.383 3.069 2.911 3.288 . 0 0 "[ . 1 . 2]" 1
622 1 28 TRP HD1 1 40 PRO HG2 2.320 . 8.000 6.878 6.746 7.009 . 0 0 "[ . 1 . 2]" 1
623 1 39 THR H 1 40 PRO HG2 2.145 . 8.000 6.574 6.508 6.643 . 0 0 "[ . 1 . 2]" 1
624 1 40 PRO HB3 1 40 PRO HG3 2.370 . 3.072 2.273 2.253 2.296 . 0 0 "[ . 1 . 2]" 1
625 1 40 PRO HG3 1 48 LEU HB3 2.356 . 3.050 3.150 3.112 3.193 0.143 14 0 "[ . 1 . 2]" 1
626 1 41 GLU HA 1 41 GLU HG2 2.258 . 2.895 2.594 2.450 2.844 . 0 0 "[ . 1 . 2]" 1
627 1 41 GLU HA 1 43 PHE H 2.125 . 8.000 4.530 4.278 4.683 . 0 0 "[ . 1 . 2]" 1
628 1 41 GLU HA 1 41 GLU HB3 2.383 . 3.093 2.467 2.393 2.515 . 0 0 "[ . 1 . 2]" 1
629 1 41 GLU HB3 1 41 GLU HG2 2.796 . 3.773 2.429 2.327 2.489 . 0 0 "[ . 1 . 2]" 1
630 1 41 GLU HA 1 41 GLU HG3 2.421 . 3.154 3.084 2.907 3.182 0.028 15 0 "[ . 1 . 2]" 1
631 1 41 GLU HB2 1 41 GLU HG3 1.932 . 2.399 2.444 2.388 2.542 0.143 18 0 "[ . 1 . 2]" 1
632 1 40 PRO HG3 1 41 GLU H 2.613 . 8.000 4.500 4.270 4.751 . 0 0 "[ . 1 . 2]" 1
633 1 41 GLU H 1 41 GLU HB3 2.178 . 8.000 3.607 3.562 3.674 . 0 0 "[ . 1 . 2]" 1
634 1 41 GLU H 1 41 GLU HB2 2.142 . 2.715 2.467 2.343 2.633 . 0 0 "[ . 1 . 2]" 1
635 1 41 GLU H 1 41 GLU HG3 2.438 . 3.181 2.353 1.872 2.589 . 0 0 "[ . 1 . 2]" 1
636 1 41 GLU H 1 41 GLU HG2 2.703 . 3.616 3.558 3.249 3.660 0.044 1 0 "[ . 1 . 2]" 1
637 1 39 THR H 1 42 ASN HA 1.904 . 8.000 4.864 4.594 5.107 . 0 0 "[ . 1 . 2]" 1
638 1 42 ASN HA 1 42 ASN QB 2.196 . 2.799 2.490 2.454 2.503 . 0 0 "[ . 1 . 2]" 1
639 1 42 ASN HA 1 43 PHE H 2.538 . 3.343 3.456 3.418 3.480 0.137 14 0 "[ . 1 . 2]" 1
640 1 42 ASN HA 1 44 PRO HD3 2.582 . 3.415 3.483 3.441 3.550 0.135 14 0 "[ . 1 . 2]" 1
641 1 39 THR H 1 42 ASN QB 2.263 . 2.903 1.917 1.641 2.233 0.079 20 0 "[ . 1 . 2]" 1
642 1 42 ASN QB 1 43 PHE QD 2.198 . 2.719 2.383 2.302 2.435 . 0 0 "[ . 1 . 2]" 1
643 1 42 ASN QB 1 48 LEU QD 2.749 . 8.000 3.827 3.646 4.017 . 0 0 "[ . 1 . 2]" 1
644 1 37 ASN HB3 1 42 ASN HD22 3.430 . 4.901 3.156 2.380 4.080 . 0 0 "[ . 1 . 2]" 1
645 1 37 ASN HB2 1 42 ASN HD22 3.367 . 4.784 4.521 2.839 4.852 0.068 8 0 "[ . 1 . 2]" 1
646 1 37 ASN HB3 1 42 ASN HD21 2.893 . 3.939 2.866 2.361 4.061 0.122 12 0 "[ . 1 . 2]" 1
647 1 37 ASN HB2 1 42 ASN HD21 2.882 . 3.920 3.880 2.532 4.552 0.632 20 1 "[ . 1 . +]" 1
648 1 39 THR MG 1 42 ASN H 2.418 . 8.000 4.541 4.323 4.703 . 0 0 "[ . 1 . 2]" 1
649 1 40 PRO HG2 1 42 ASN H 2.987 . 8.000 5.379 5.167 5.575 . 0 0 "[ . 1 . 2]" 1
650 1 41 GLU HB3 1 42 ASN H 3.775 . 5.557 4.025 3.874 4.208 . 0 0 "[ . 1 . 2]" 1
651 1 41 GLU H 1 42 ASN H 3.030 . 4.177 2.308 2.034 2.562 . 0 0 "[ . 1 . 2]" 1
652 1 42 ASN H 1 42 ASN HA 2.761 . 3.714 2.927 2.918 2.939 . 0 0 "[ . 1 . 2]" 1
653 1 42 ASN H 1 42 ASN QB 2.010 . 2.515 2.256 2.210 2.343 . 0 0 "[ . 1 . 2]" 1
654 1 42 ASN H 1 43 PHE HA 2.584 . 8.000 4.802 4.696 4.863 . 0 0 "[ . 1 . 2]" 1
655 1 42 ASN H 1 43 PHE QB 2.612 . 8.000 4.394 4.297 4.487 . 0 0 "[ . 1 . 2]" 1
656 1 42 ASN H 1 43 PHE QD 2.403 . 8.000 3.938 3.713 4.182 . 0 0 "[ . 1 . 2]" 1
657 1 42 ASN H 1 43 PHE H 2.018 . 2.527 2.080 1.967 2.144 . 0 0 "[ . 1 . 2]" 1
658 1 42 ASN H 1 43 PHE HZ 3.089 . 8.000 7.642 7.326 7.823 . 0 0 "[ . 1 . 2]" 1
659 1 42 ASN H 1 44 PRO HD2 4.297 . 6.605 5.569 5.409 5.751 . 0 0 "[ . 1 . 2]" 1
660 1 42 ASN H 1 48 LEU QD 2.407 . 8.000 3.895 3.772 4.000 . 0 0 "[ . 1 . 2]" 1
661 1 43 PHE HA 1 44 PRO HD3 2.354 . 3.047 2.549 2.453 2.645 . 0 0 "[ . 1 . 2]" 1
662 1 43 PHE QB 1 43 PHE QD 2.426 . 2.472 2.124 2.120 2.127 . 0 0 "[ . 1 . 2]" 1
663 1 43 PHE QD 1 48 LEU QD 2.533 . 2.797 2.837 2.783 2.901 0.104 9 0 "[ . 1 . 2]" 1
664 1 38 ARG HB3 1 43 PHE QE 2.196 . 8.000 4.162 4.003 4.361 . 0 0 "[ . 1 . 2]" 1
665 1 39 THR MG 1 43 PHE QE 2.682 . 8.000 5.620 5.387 5.960 . 0 0 "[ . 1 . 2]" 1
666 1 41 GLU HB2 1 43 PHE H 2.892 . 8.000 5.102 4.786 5.423 . 0 0 "[ . 1 . 2]" 1
667 1 41 GLU H 1 43 PHE H 2.292 . 8.000 3.800 3.546 4.080 . 0 0 "[ . 1 . 2]" 1
668 1 42 ASN QB 1 43 PHE H 2.511 . 8.000 2.817 2.615 2.980 . 0 0 "[ . 1 . 2]" 1
669 1 43 PHE H 1 43 PHE QB 2.165 . 2.751 2.655 2.619 2.685 . 0 0 "[ . 1 . 2]" 1
670 1 43 PHE H 1 44 PRO HA 3.055 . 4.221 4.293 4.253 4.348 0.127 9 0 "[ . 1 . 2]" 1
671 1 43 PHE H 1 44 PRO HG3 2.305 . 8.000 4.130 4.028 4.286 . 0 0 "[ . 1 . 2]" 1
672 1 44 PRO HD2 1 44 PRO HG2 1.929 . 2.394 2.320 2.311 2.326 . 0 0 "[ . 1 . 2]" 1
673 1 44 PRO HD2 1 44 PRO HG3 2.556 . 3.372 2.995 2.990 2.998 . 0 0 "[ . 1 . 2]" 1
674 1 42 ASN H 1 44 PRO HD3 2.491 . 8.000 3.828 3.663 4.012 . 0 0 "[ . 1 . 2]" 1
675 1 44 PRO HD3 1 44 PRO HG2 2.244 . 2.874 2.682 2.673 2.695 . 0 0 "[ . 1 . 2]" 1
676 1 44 PRO HD3 1 44 PRO HG3 2.836 . 3.842 2.319 2.314 2.325 . 0 0 "[ . 1 . 2]" 1
677 1 44 PRO HG2 1 45 SER H 2.499 . 8.000 3.944 3.726 4.112 . 0 0 "[ . 1 . 2]" 1
678 1 41 GLU HA 1 44 PRO HG3 2.755 . 3.704 3.109 2.731 3.716 0.012 9 0 "[ . 1 . 2]" 1
679 1 45 SER HA 1 45 SER HB3 2.845 . 3.857 2.460 2.329 3.026 . 0 0 "[ . 1 . 2]" 1
680 1 45 SER HA 1 45 SER HB2 2.615 . 3.470 2.760 2.500 3.027 . 0 0 "[ . 1 . 2]" 1
681 1 45 SER H 1 45 SER HA 2.505 . 3.289 2.882 2.867 2.908 . 0 0 "[ . 1 . 2]" 1
682 1 45 SER HA 1 46 LYS H 3.272 . 4.610 3.215 2.988 3.387 . 0 0 "[ . 1 . 2]" 1
683 1 44 PRO HA 1 45 SER H 2.632 . 3.498 3.516 3.457 3.566 0.068 2 0 "[ . 1 . 2]" 1
684 1 44 PRO HG3 1 45 SER H 2.655 . 8.000 4.474 4.371 4.568 . 0 0 "[ . 1 . 2]" 1
685 1 45 SER H 1 45 SER HB3 2.909 . 3.967 3.147 2.599 3.644 . 0 0 "[ . 1 . 2]" 1
686 1 45 SER H 1 45 SER HB2 2.717 . 3.640 3.009 2.489 3.583 . 0 0 "[ . 1 . 2]" 1
687 1 46 LYS HA 1 46 LYS HB2 2.048 . 2.572 2.887 2.518 3.025 0.453 6 0 "[ . 1 . 2]" 1
688 1 46 LYS HB3 1 48 LEU HB3 3.070 . 8.000 6.547 5.598 7.064 . 0 0 "[ . 1 . 2]" 1
689 1 46 LYS HB3 1 48 LEU QD 2.495 . 2.832 2.760 2.358 3.106 0.274 8 0 "[ . 1 . 2]" 1
690 1 46 LYS HB2 1 48 LEU QD 2.992 . 4.111 2.914 2.400 3.787 . 0 0 "[ . 1 . 2]" 1
691 1 46 LYS HB2 1 55 ASN H 2.665 . 8.000 5.830 5.134 6.848 . 0 0 "[ . 1 . 2]" 1
692 1 45 SER H 1 46 LYS H 2.426 . 3.162 2.616 2.462 2.819 . 0 0 "[ . 1 . 2]" 1
693 1 46 LYS H 1 46 LYS HA 2.673 . 3.566 2.936 2.911 2.947 . 0 0 "[ . 1 . 2]" 1
694 1 46 LYS H 1 46 LYS HB3 3.113 . 4.325 3.409 2.599 3.759 . 0 0 "[ . 1 . 2]" 1
695 1 46 LYS H 1 47 ASN HD21 2.804 . 3.787 3.859 3.613 3.935 0.148 4 0 "[ . 1 . 2]" 1
696 1 46 LYS H 1 47 ASN H 2.464 . 3.223 2.026 1.753 2.292 . 0 0 "[ . 1 . 2]" 1
697 1 46 LYS H 1 48 LEU HB2 1.935 . 8.000 5.130 4.897 5.414 . 0 0 "[ . 1 . 2]" 1
698 1 47 ASN HA 1 47 ASN QB 2.518 . 3.311 2.404 2.341 2.483 . 0 0 "[ . 1 . 2]" 1
699 1 11 ASN HB3 1 47 ASN QB 2.413 . 3.141 2.724 1.951 3.494 0.353 9 0 "[ . 1 . 2]" 1
700 1 47 ASN HA 1 47 ASN HD22 2.620 . 3.478 3.470 3.363 3.547 0.069 20 0 "[ . 1 . 2]" 1
701 1 47 ASN HA 1 47 ASN HD21 2.096 . 2.645 2.024 1.779 2.380 . 0 0 "[ . 1 . 2]" 1
702 1 47 ASN QB 1 47 ASN HD21 2.524 . 8.000 2.830 2.751 2.886 . 0 0 "[ . 1 . 2]" 1
703 1 46 LYS HA 1 47 ASN H 2.541 . 3.348 3.243 3.182 3.328 . 0 0 "[ . 1 . 2]" 1
704 1 47 ASN H 1 47 ASN QB 2.224 . 8.000 3.315 3.200 3.398 . 0 0 "[ . 1 . 2]" 1
705 1 47 ASN H 1 47 ASN HD21 3.148 . 4.387 2.210 1.977 2.456 . 0 0 "[ . 1 . 2]" 1
706 1 28 TRP HD1 1 48 LEU HA 2.574 . 3.402 3.278 3.138 3.402 . 0 0 "[ . 1 . 2]" 1
707 1 48 LEU HA 1 48 LEU HB3 2.235 . 2.860 2.725 2.716 2.730 . 0 0 "[ . 1 . 2]" 1
708 1 48 LEU HA 1 48 LEU QD . . 2.142 1.665 1.622 1.729 0.224 8 0 "[ . 1 . 2]" 1
709 1 48 LEU HA 1 48 LEU HG 2.285 . 2.938 2.988 2.947 3.040 0.102 6 0 "[ . 1 . 2]" 1
710 1 48 LEU HB2 1 48 LEU QD 2.242 . 2.711 2.095 2.082 2.104 . 0 0 "[ . 1 . 2]" 1
711 1 28 TRP HD1 1 48 LEU HB3 2.240 . 8.000 3.548 3.429 3.692 . 0 0 "[ . 1 . 2]" 1
712 1 29 SER H 1 48 LEU HB3 2.672 . 8.000 4.907 4.601 5.197 . 0 0 "[ . 1 . 2]" 1
713 1 47 ASN HD21 1 48 LEU HB3 2.841 . 8.000 7.585 7.396 7.818 . 0 0 "[ . 1 . 2]" 1
714 1 48 LEU HB3 1 48 LEU QD 2.207 . 2.999 2.568 2.543 2.594 . 0 0 "[ . 1 . 2]" 1
715 1 28 TRP HD1 1 48 LEU QD 2.783 . 8.000 3.771 3.648 3.829 . 0 0 "[ . 1 . 2]" 1
716 1 28 TRP HE1 1 48 LEU QD 2.966 . 4.065 3.492 3.379 3.555 . 0 0 "[ . 1 . 2]" 1
717 1 28 TRP HZ2 1 48 LEU QD 2.859 . 3.881 3.837 3.811 3.878 . 0 0 "[ . 1 . 2]" 1
718 1 48 LEU QD 1 49 ASP HB2 3.013 . 8.000 5.430 5.332 5.523 . 0 0 "[ . 1 . 2]" 1
719 1 48 LEU QD 1 54 ARG H 3.011 . 4.144 4.044 3.966 4.113 . 0 0 "[ . 1 . 2]" 1
720 1 48 LEU QD 1 55 ASN H 2.598 . 8.000 3.895 3.776 4.057 . 0 0 "[ . 1 . 2]" 1
721 1 39 THR H 1 48 LEU QD 2.358 . 3.053 3.164 3.122 3.215 0.162 9 0 "[ . 1 . 2]" 1
722 1 48 LEU MD1 1 48 LEU MD2 1.735 . 2.111 2.073 2.065 2.080 . 0 0 "[ . 1 . 2]" 1
723 1 48 LEU H 1 48 LEU QD 2.409 . 3.102 2.713 2.690 2.747 . 0 0 "[ . 1 . 2]" 1
724 1 48 LEU QD 1 49 ASP H 2.714 . 8.000 3.608 3.516 3.704 . 0 0 "[ . 1 . 2]" 1
725 1 48 LEU QD 1 56 PRO HG2 2.823 . 3.819 3.147 3.068 3.230 . 0 0 "[ . 1 . 2]" 1
726 1 47 ASN H 1 48 LEU HG 2.332 . 8.000 6.727 6.580 6.802 . 0 0 "[ . 1 . 2]" 1
727 1 48 LEU HB3 1 48 LEU HG 2.524 . 3.321 2.265 2.251 2.280 . 0 0 "[ . 1 . 2]" 1
728 1 48 LEU QD 1 48 LEU HG 2.192 . 2.720 1.893 1.891 1.895 . 0 0 "[ . 1 . 2]" 1
729 1 48 LEU HG 1 56 PRO HG3 2.750 . 3.695 3.239 3.102 3.331 . 0 0 "[ . 1 . 2]" 1
730 1 47 ASN HA 1 48 LEU H 2.138 . 2.709 2.573 2.458 2.710 0.001 2 0 "[ . 1 . 2]" 1
731 1 47 ASN H 1 48 LEU H 2.552 . 3.366 2.850 2.635 3.043 . 0 0 "[ . 1 . 2]" 1
732 1 48 LEU H 1 48 LEU HA 2.478 . 3.245 2.883 2.875 2.891 . 0 0 "[ . 1 . 2]" 1
733 1 48 LEU H 1 48 LEU HB2 2.057 . 2.586 2.130 2.114 2.148 . 0 0 "[ . 1 . 2]" 1
734 1 48 LEU H 1 48 LEU HB3 2.635 . 3.503 3.423 3.412 3.436 . 0 0 "[ . 1 . 2]" 1
735 1 48 LEU H 1 48 LEU HG 2.104 . 8.000 4.462 4.442 4.486 . 0 0 "[ . 1 . 2]" 1
736 1 48 LEU H 1 54 ARG HB3 2.729 . 8.000 5.554 5.374 5.740 . 0 0 "[ . 1 . 2]" 1
737 1 28 TRP HD1 1 49 ASP HA 2.800 . 8.000 4.247 4.076 4.378 . 0 0 "[ . 1 . 2]" 1
738 1 49 ASP HA 1 49 ASP HB3 2.284 . 2.936 2.520 2.476 2.561 . 0 0 "[ . 1 . 2]" 1
739 1 49 ASP HA 1 49 ASP HB2 2.220 . 8.000 3.019 3.014 3.023 . 0 0 "[ . 1 . 2]" 1
740 1 49 ASP HB3 1 52 TYR QE 2.394 . 8.000 2.951 2.653 3.130 . 0 0 "[ . 1 . 2]" 1
741 1 49 ASP HB2 1 54 ARG HE 2.508 . 3.294 2.916 2.579 3.320 0.026 19 0 "[ . 1 . 2]" 1
742 1 28 TRP HD1 1 49 ASP H 3.336 . 4.727 3.616 3.489 3.752 . 0 0 "[ . 1 . 2]" 1
743 1 48 LEU HA 1 49 ASP H 1.880 . 2.322 2.366 2.293 2.420 0.098 19 0 "[ . 1 . 2]" 1
744 1 49 ASP H 1 49 ASP HA 2.793 . 3.768 2.889 2.859 2.909 . 0 0 "[ . 1 . 2]" 1
745 1 49 ASP H 1 49 ASP HB3 2.919 . 3.984 3.585 3.566 3.597 . 0 0 "[ . 1 . 2]" 1
746 1 49 ASP H 1 49 ASP HB2 1.865 . 2.300 2.368 2.318 2.417 0.117 4 0 "[ . 1 . 2]" 1
747 1 49 ASP H 1 52 TYR HB2 2.405 . 8.000 4.061 3.878 4.242 . 0 0 "[ . 1 . 2]" 1
748 1 49 ASP H 1 54 ARG HE 2.662 . 3.548 2.464 2.249 2.874 . 0 0 "[ . 1 . 2]" 1
749 1 28 TRP HD1 1 50 GLU HA 2.696 . 8.000 4.640 4.482 4.876 . 0 0 "[ . 1 . 2]" 1
750 1 50 GLU HA 1 50 GLU HB2 2.598 . 3.442 3.007 2.997 3.017 . 0 0 "[ . 1 . 2]" 1
751 1 50 GLU HA 1 50 GLU QG 2.375 . 3.080 2.592 2.380 2.917 . 0 0 "[ . 1 . 2]" 1
752 1 50 GLU HB2 1 50 GLU QG 2.556 . 3.373 2.266 2.150 2.365 . 0 0 "[ . 1 . 2]" 1
753 1 50 GLU H 1 50 GLU HB2 2.295 . 8.000 3.389 3.322 3.492 . 0 0 "[ . 1 . 2]" 1
754 1 50 GLU HB2 1 52 TYR HA 2.809 . 8.000 5.020 4.820 5.139 . 0 0 "[ . 1 . 2]" 1
755 1 50 GLU HB2 1 52 TYR HB3 2.226 . 8.000 5.443 5.101 5.577 . 0 0 "[ . 1 . 2]" 1
756 1 50 GLU HB2 1 52 TYR QE 2.585 . 3.420 2.928 2.787 3.117 . 0 0 "[ . 1 . 2]" 1
757 1 50 GLU HB2 1 52 TYR H 2.219 . 2.834 2.856 2.531 2.955 0.121 11 0 "[ . 1 . 2]" 1
758 1 50 GLU HB3 1 50 GLU QG 2.595 . 3.437 2.225 2.151 2.374 . 0 0 "[ . 1 . 2]" 1
759 1 50 GLU HB3 1 51 ASN HB3 2.623 . 8.000 3.900 3.759 4.075 . 0 0 "[ . 1 . 2]" 1
760 1 50 GLU QG 1 52 TYR QE 2.307 . 2.973 2.949 2.848 3.002 0.029 3 0 "[ . 1 . 2]" 1
761 1 49 ASP HA 1 50 GLU H 1.845 . 2.271 2.135 2.108 2.152 . 0 0 "[ . 1 . 2]" 1
762 1 49 ASP HB3 1 50 GLU H 2.690 . 3.595 3.318 3.167 3.442 . 0 0 "[ . 1 . 2]" 1
763 1 50 GLU H 1 50 GLU HB3 2.449 . 8.000 4.056 4.026 4.077 . 0 0 "[ . 1 . 2]" 1
764 1 50 GLU H 1 50 GLU QG 2.601 . 8.000 3.316 2.734 3.721 . 0 0 "[ . 1 . 2]" 1
765 1 27 HIS HA 1 51 ASN HA 2.637 . 3.506 2.382 2.185 2.521 . 0 0 "[ . 1 . 2]" 1
766 1 27 HIS H 1 51 ASN HA 2.662 . 8.000 4.922 4.703 5.088 . 0 0 "[ . 1 . 2]" 1
767 1 28 TRP HD1 1 51 ASN HA 2.164 . 8.000 2.982 2.750 3.260 . 0 0 "[ . 1 . 2]" 1
768 1 28 TRP H 1 51 ASN HA 2.233 . 2.856 2.658 2.526 2.798 . 0 0 "[ . 1 . 2]" 1
769 1 50 GLU HB3 1 51 ASN HA 2.667 . 8.000 4.390 4.285 4.497 . 0 0 "[ . 1 . 2]" 1
770 1 51 ASN HA 1 51 ASN HB2 2.315 . 2.985 2.469 2.436 2.493 . 0 0 "[ . 1 . 2]" 1
771 1 51 ASN HA 1 65 HIS H 2.609 . 8.000 5.900 5.744 6.026 . 0 0 "[ . 1 . 2]" 1
772 1 25 CYS H 1 51 ASN HB3 2.807 . 8.000 6.264 6.118 6.454 . 0 0 "[ . 1 . 2]" 1
773 1 17 ALA MB 1 51 ASN HD21 2.511 . 3.299 2.702 2.163 3.325 0.026 16 0 "[ . 1 . 2]" 1
774 1 50 GLU QG 1 51 ASN HD21 2.693 . 8.000 6.269 3.476 7.291 . 0 0 "[ . 1 . 2]" 1
775 1 17 ALA MB 1 51 ASN HD22 2.412 . 3.139 2.038 1.664 2.549 0.021 11 0 "[ . 1 . 2]" 1
776 1 50 GLU QG 1 51 ASN HD22 2.915 . 8.000 5.757 4.144 6.600 . 0 0 "[ . 1 . 2]" 1
777 1 50 GLU HA 1 51 ASN H 2.473 . 8.000 3.379 3.271 3.417 . 0 0 "[ . 1 . 2]" 1
778 1 50 GLU HB2 1 51 ASN H 1.630 . 1.962 1.947 1.829 2.019 0.057 5 0 "[ . 1 . 2]" 1
779 1 50 GLU HB3 1 51 ASN H 1.796 . 2.199 1.928 1.762 2.099 . 0 0 "[ . 1 . 2]" 1
780 1 50 GLU QG 1 51 ASN H 2.791 . 8.000 3.602 3.530 3.658 . 0 0 "[ . 1 . 2]" 1
781 1 51 ASN H 1 51 ASN HA 2.887 . 3.929 2.903 2.886 2.929 . 0 0 "[ . 1 . 2]" 1
782 1 51 ASN H 1 51 ASN HB3 2.776 . 8.000 3.342 3.206 3.419 . 0 0 "[ . 1 . 2]" 1
783 1 51 ASN H 1 51 ASN HB2 2.298 . 8.000 3.890 3.816 3.948 . 0 0 "[ . 1 . 2]" 1
784 1 17 ALA MB 1 52 TYR HA 2.490 . 3.265 2.664 2.454 2.813 . 0 0 "[ . 1 . 2]" 1
785 1 17 ALA H 1 52 TYR HA 3.143 . 8.000 4.509 4.405 4.594 . 0 0 "[ . 1 . 2]" 1
786 1 52 TYR HA 1 52 TYR HB3 2.520 . 3.314 2.406 2.387 2.441 . 0 0 "[ . 1 . 2]" 1
787 1 52 TYR HA 1 52 TYR HB2 2.280 . 2.930 3.013 3.009 3.017 0.087 1 0 "[ . 1 . 2]" 1
788 1 52 TYR HA 1 52 TYR HD1 2.116 . 2.676 2.188 2.073 2.247 . 0 0 "[ . 1 . 2]" 1
789 1 52 TYR HA 1 53 CYS HB2 2.261 . 8.000 4.645 4.552 4.712 . 0 0 "[ . 1 . 2]" 1
790 1 12 TYR HD2 1 52 TYR HB3 2.804 . 8.000 7.830 7.243 7.995 . 0 0 "[ . 1 . 2]" 1
791 1 50 GLU HB3 1 52 TYR HB3 2.581 . 8.000 6.634 6.422 6.871 . 0 0 "[ . 1 . 2]" 1
792 1 52 TYR HB3 1 52 TYR HD1 2.325 . 8.000 3.276 3.196 3.381 . 0 0 "[ . 1 . 2]" 1
793 1 28 TRP HD1 1 52 TYR HB2 2.290 . 8.000 4.602 4.487 4.696 . 0 0 "[ . 1 . 2]" 1
794 1 49 ASP HB3 1 52 TYR QD 2.769 . 3.727 3.522 3.083 3.776 0.049 19 0 "[ . 1 . 2]" 1
795 1 49 ASP HB2 1 52 TYR QD 2.728 . 3.658 2.478 2.299 2.698 . 0 0 "[ . 1 . 2]" 1
796 1 51 ASN H 1 52 TYR QD 2.453 . 3.205 2.920 2.726 3.111 . 0 0 "[ . 1 . 2]" 1
797 1 52 TYR QD 1 54 ARG HE 2.535 . 3.338 3.219 2.648 3.418 0.080 20 0 "[ . 1 . 2]" 1
798 1 16 VAL H 1 52 TYR HD1 2.717 . 8.000 6.338 6.102 6.539 . 0 0 "[ . 1 . 2]" 1
799 1 49 ASP HB3 1 52 TYR HD1 2.245 . 8.000 5.819 5.352 6.311 . 0 0 "[ . 1 . 2]" 1
800 1 49 ASP HB2 1 52 TYR HD1 2.498 . 8.000 5.515 5.148 6.055 . 0 0 "[ . 1 . 2]" 1
801 1 50 GLU HB3 1 52 TYR HD1 2.792 . 8.000 3.948 3.835 4.080 . 0 0 "[ . 1 . 2]" 1
802 1 51 ASN H 1 52 TYR HD1 2.441 . 3.186 2.934 2.734 3.134 . 0 0 "[ . 1 . 2]" 1
803 1 15 ASN HB2 1 52 TYR QE 2.288 . 8.000 7.206 6.907 7.407 . 0 0 "[ . 1 . 2]" 1
804 1 49 ASP HB2 1 52 TYR QE 2.421 . 8.000 3.184 2.966 3.562 . 0 0 "[ . 1 . 2]" 1
805 1 50 GLU HB3 1 52 TYR QE 2.584 . 3.419 3.401 3.308 3.441 0.022 6 0 "[ . 1 . 2]" 1
806 1 28 TRP HE1 1 52 TYR H 3.109 . 4.317 3.327 3.215 3.517 . 0 0 "[ . 1 . 2]" 1
807 1 50 GLU HB3 1 52 TYR H 2.302 . 8.000 3.631 3.427 3.889 . 0 0 "[ . 1 . 2]" 1
808 1 51 ASN HA 1 52 TYR H 2.226 . 8.000 3.051 2.995 3.116 . 0 0 "[ . 1 . 2]" 1
809 1 51 ASN HB2 1 52 TYR H 3.159 . 4.406 4.411 4.376 4.442 0.036 16 0 "[ . 1 . 2]" 1
810 1 51 ASN H 1 52 TYR H 2.630 . 3.495 1.822 1.739 1.914 0.026 17 0 "[ . 1 . 2]" 1
811 1 52 TYR H 1 52 TYR HA 2.877 . 3.912 2.784 2.756 2.808 . 0 0 "[ . 1 . 2]" 1
812 1 52 TYR H 1 52 TYR HB3 2.924 . 3.993 3.590 3.563 3.606 . 0 0 "[ . 1 . 2]" 1
813 1 52 TYR H 1 52 TYR HB2 2.377 . 3.083 2.681 2.577 2.725 . 0 0 "[ . 1 . 2]" 1
814 1 52 TYR H 1 52 TYR QD 2.232 . 2.854 2.482 2.418 2.554 . 0 0 "[ . 1 . 2]" 1
815 1 52 TYR H 1 52 TYR HD1 1.930 . 2.396 2.502 2.431 2.585 0.189 19 0 "[ . 1 . 2]" 1
816 1 52 TYR H 1 53 CYS H 2.682 . 8.000 4.618 4.583 4.640 . 0 0 "[ . 1 . 2]" 1
817 1 28 TRP HZ2 1 53 CYS HA 2.476 . 3.242 2.923 2.741 2.999 . 0 0 "[ . 1 . 2]" 1
818 1 53 CYS HA 1 53 CYS HB3 2.074 . 2.612 2.501 2.481 2.541 . 0 0 "[ . 1 . 2]" 1
819 1 53 CYS HA 1 63 TRP H 2.589 . 8.000 4.052 3.860 4.234 . 0 0 "[ . 1 . 2]" 1
820 1 53 CYS HA 1 64 CYS HB2 2.886 . 3.927 3.895 3.796 3.950 0.023 6 0 "[ . 1 . 2]" 1
821 1 16 VAL MG1 1 53 CYS HB2 2.696 . 3.604 3.418 3.233 3.610 0.006 5 0 "[ . 1 . 2]" 1
822 1 53 CYS H 1 53 CYS HB2 2.082 . 2.624 2.436 2.358 2.479 . 0 0 "[ . 1 . 2]" 1
823 1 53 CYS HB2 1 78 ILE MD 2.479 . 3.247 2.673 2.467 2.981 . 0 0 "[ . 1 . 2]" 1
824 1 53 CYS HB3 1 54 ARG H 2.890 . 8.000 4.018 3.978 4.060 . 0 0 "[ . 1 . 2]" 1
825 1 16 VAL MG1 1 53 CYS H 2.826 . 3.824 3.712 3.595 3.830 0.006 1 0 "[ . 1 . 2]" 1
826 1 17 ALA HA 1 53 CYS H 2.463 . 3.222 2.718 2.562 2.855 . 0 0 "[ . 1 . 2]" 1
827 1 52 TYR HA 1 53 CYS H 1.961 . 2.442 2.225 2.185 2.259 . 0 0 "[ . 1 . 2]" 1
828 1 52 TYR HB3 1 53 CYS H 2.287 . 2.941 2.937 2.833 3.001 0.060 8 0 "[ . 1 . 2]" 1
829 1 52 TYR HB2 1 53 CYS H 2.333 . 8.000 3.858 3.776 3.908 . 0 0 "[ . 1 . 2]" 1
830 1 52 TYR HD1 1 53 CYS H 2.455 . 8.000 4.356 4.237 4.428 . 0 0 "[ . 1 . 2]" 1
831 1 53 CYS H 1 53 CYS HA 2.615 . 3.469 2.817 2.805 2.833 . 0 0 "[ . 1 . 2]" 1
832 1 53 CYS H 1 53 CYS HB3 2.454 . 8.000 3.582 3.565 3.594 . 0 0 "[ . 1 . 2]" 1
833 1 12 TYR H 1 54 ARG HA 2.106 . 8.000 5.155 4.600 5.507 . 0 0 "[ . 1 . 2]" 1
834 1 48 LEU QD 1 54 ARG HA 3.101 . 4.303 4.366 4.300 4.399 0.096 13 0 "[ . 1 . 2]" 1
835 1 52 TYR H 1 54 ARG HA 2.158 . 8.000 7.103 6.968 7.233 . 0 0 "[ . 1 . 2]" 1
836 1 54 ARG HA 1 54 ARG HG3 2.804 . 3.787 3.719 3.686 3.747 . 0 0 "[ . 1 . 2]" 1
837 1 28 TRP HZ2 1 54 ARG HB2 2.508 . 3.294 2.760 2.661 2.863 . 0 0 "[ . 1 . 2]" 1
838 1 48 LEU HG 1 54 ARG HB2 2.400 . 8.000 4.149 4.092 4.244 . 0 0 "[ . 1 . 2]" 1
839 1 48 LEU QD 1 54 ARG HB3 2.499 . 3.280 2.561 2.500 2.614 . 0 0 "[ . 1 . 2]" 1
840 1 54 ARG HB3 1 54 ARG HG3 2.022 . 2.533 2.414 2.387 2.440 . 0 0 "[ . 1 . 2]" 1
841 1 54 ARG HD3 1 54 ARG HE 2.667 . 3.556 2.812 2.701 2.897 . 0 0 "[ . 1 . 2]" 1
842 1 47 ASN QB 1 54 ARG HD2 2.553 . 3.368 3.147 2.916 3.332 . 0 0 "[ . 1 . 2]" 1
843 1 48 LEU QD 1 54 ARG HD2 3.044 . 4.202 3.867 3.759 3.963 . 0 0 "[ . 1 . 2]" 1
844 1 54 ARG HB2 1 54 ARG HD2 2.516 . 8.000 3.667 3.639 3.723 . 0 0 "[ . 1 . 2]" 1
845 1 54 ARG HD2 1 54 ARG HE 2.224 . 2.842 2.770 2.654 2.867 0.025 19 0 "[ . 1 . 2]" 1
846 1 54 ARG HD2 1 54 ARG HG3 2.528 . 3.327 2.536 2.470 2.572 . 0 0 "[ . 1 . 2]" 1
847 1 54 ARG H 1 54 ARG HD2 2.492 . 8.000 4.693 4.588 4.753 . 0 0 "[ . 1 . 2]" 1
848 1 47 ASN QB 1 54 ARG HE 2.642 . 3.515 3.000 2.463 3.477 . 0 0 "[ . 1 . 2]" 1
849 1 48 LEU QD 1 54 ARG HE 3.058 . 4.227 4.067 3.873 4.242 0.015 7 0 "[ . 1 . 2]" 1
850 1 28 TRP HE1 1 54 ARG HG3 2.800 . 3.780 3.456 3.304 3.639 . 0 0 "[ . 1 . 2]" 1
851 1 28 TRP HZ2 1 54 ARG HG3 2.277 . 8.000 4.674 4.473 4.805 . 0 0 "[ . 1 . 2]" 1
852 1 48 LEU QD 1 54 ARG HG3 2.345 . 3.032 2.129 1.993 2.254 . 0 0 "[ . 1 . 2]" 1
853 1 54 ARG HE 1 54 ARG HG3 2.760 . 3.712 2.371 2.240 2.589 . 0 0 "[ . 1 . 2]" 1
854 1 28 TRP HZ2 1 54 ARG H 2.113 . 2.671 1.749 1.649 1.805 . 0 0 "[ . 1 . 2]" 1
855 1 53 CYS HA 1 54 ARG H 1.925 . 2.388 2.260 2.229 2.281 . 0 0 "[ . 1 . 2]" 1
856 1 54 ARG H 1 54 ARG HA 2.562 . 3.383 2.922 2.918 2.925 . 0 0 "[ . 1 . 2]" 1
857 1 54 ARG H 1 54 ARG HB2 2.573 . 3.401 2.425 2.396 2.473 . 0 0 "[ . 1 . 2]" 1
858 1 54 ARG H 1 54 ARG HB3 3.462 . 4.960 3.630 3.619 3.644 . 0 0 "[ . 1 . 2]" 1
859 1 54 ARG H 1 54 ARG HG3 3.069 . 4.246 3.981 3.910 4.036 . 0 0 "[ . 1 . 2]" 1
860 1 54 ARG H 1 56 PRO HD3 3.184 . 4.451 4.062 3.962 4.157 . 0 0 "[ . 1 . 2]" 1
861 1 54 ARG H 1 64 CYS HB2 3.375 . 4.799 4.772 4.703 4.833 0.034 4 0 "[ . 1 . 2]" 1
862 1 55 ASN HA 1 55 ASN HB2 2.649 . 3.526 2.512 2.460 2.533 . 0 0 "[ . 1 . 2]" 1
863 1 55 ASN HA 1 56 PRO HD2 2.374 . 3.078 2.181 2.101 2.252 . 0 0 "[ . 1 . 2]" 1
864 1 55 ASN HA 1 56 PRO HD3 2.152 . 8.000 2.928 2.840 2.997 . 0 0 "[ . 1 . 2]" 1
865 1 55 ASN HA 1 63 TRP HD1 2.286 . 2.939 2.826 2.648 2.951 0.012 15 0 "[ . 1 . 2]" 1
866 1 55 ASN HA 1 63 TRP HE1 2.299 . 2.960 2.755 2.568 2.923 . 0 0 "[ . 1 . 2]" 1
867 1 55 ASN HA 1 63 TRP H 2.794 . 3.770 3.242 3.131 3.397 . 0 0 "[ . 1 . 2]" 1
868 1 55 ASN HA 1 55 ASN HB3 2.737 . 3.673 3.025 3.021 3.030 . 0 0 "[ . 1 . 2]" 1
869 1 55 ASN HB2 1 63 TRP H 2.345 . 8.000 3.749 3.437 3.892 . 0 0 "[ . 1 . 2]" 1
870 1 8 THR MG 1 55 ASN HD22 2.304 . 2.968 3.055 3.020 3.088 0.120 8 0 "[ . 1 . 2]" 1
871 1 55 ASN HD22 1 61 ALA H 2.528 . 3.327 3.384 3.353 3.422 0.095 6 0 "[ . 1 . 2]" 1
872 1 55 ASN HD22 1 62 PRO HD3 2.785 . 8.000 5.378 5.224 5.647 . 0 0 "[ . 1 . 2]" 1
873 1 8 THR HB 1 55 ASN HD21 2.236 . 2.861 2.069 1.835 2.252 . 0 0 "[ . 1 . 2]" 1
874 1 55 ASN HB3 1 55 ASN HD21 2.102 . 2.655 2.642 2.382 2.708 0.053 6 0 "[ . 1 . 2]" 1
875 1 55 ASN HB2 1 55 ASN HD21 2.427 . 3.163 2.412 2.343 2.677 . 0 0 "[ . 1 . 2]" 1
876 1 54 ARG HA 1 55 ASN H 2.030 . 2.545 2.572 2.542 2.600 0.055 20 0 "[ . 1 . 2]" 1
877 1 54 ARG HB3 1 55 ASN H 2.464 . 3.223 2.095 2.028 2.204 . 0 0 "[ . 1 . 2]" 1
878 1 54 ARG HD3 1 55 ASN H 3.400 . 4.845 4.215 4.067 4.321 . 0 0 "[ . 1 . 2]" 1
879 1 54 ARG HD2 1 55 ASN H 3.411 . 4.865 3.513 3.320 3.820 . 0 0 "[ . 1 . 2]" 1
880 1 54 ARG HG3 1 55 ASN H 2.716 . 8.000 4.451 4.376 4.566 . 0 0 "[ . 1 . 2]" 1
881 1 55 ASN H 1 55 ASN HA 2.750 . 3.695 2.935 2.925 2.947 . 0 0 "[ . 1 . 2]" 1
882 1 55 ASN H 1 55 ASN HB3 2.696 . 3.605 2.820 2.791 2.851 . 0 0 "[ . 1 . 2]" 1
883 1 55 ASN H 1 55 ASN HB2 3.490 . 5.013 3.117 3.039 3.224 . 0 0 "[ . 1 . 2]" 1
884 1 55 ASN H 1 56 PRO HA 3.354 . 4.760 4.390 4.304 4.459 . 0 0 "[ . 1 . 2]" 1
885 1 55 ASN H 1 56 PRO HD3 3.231 . 4.536 2.980 2.875 3.071 . 0 0 "[ . 1 . 2]" 1
886 1 55 ASN H 1 61 ALA HA 2.670 . 8.000 7.806 7.518 8.025 0.025 13 0 "[ . 1 . 2]" 1
887 1 48 LEU QD 1 56 PRO HA 2.752 . 3.699 3.324 3.173 3.501 . 0 0 "[ . 1 . 2]" 1
888 1 56 PRO HA 1 56 PRO HG2 2.647 . 8.000 3.888 3.863 3.909 . 0 0 "[ . 1 . 2]" 1
889 1 56 PRO HA 1 57 ASP H 2.888 . 3.931 3.561 3.543 3.577 . 0 0 "[ . 1 . 2]" 1
890 1 28 TRP HZ2 1 56 PRO HD2 2.216 . 8.000 4.351 4.234 4.487 . 0 0 "[ . 1 . 2]" 1
891 1 48 LEU QD 1 56 PRO HD2 2.874 . 3.906 3.534 3.407 3.628 . 0 0 "[ . 1 . 2]" 1
892 1 56 PRO HD2 1 56 PRO HG3 2.505 . 3.289 2.730 2.715 2.748 . 0 0 "[ . 1 . 2]" 1
893 1 56 PRO HD2 1 56 PRO HG2 2.311 . 2.979 2.287 2.280 2.294 . 0 0 "[ . 1 . 2]" 1
894 1 56 PRO HD2 1 57 ASP HB2 2.407 . 8.000 4.691 4.325 4.926 . 0 0 "[ . 1 . 2]" 1
895 1 56 PRO HD2 1 63 TRP HD1 2.506 . 8.000 3.976 3.833 4.078 . 0 0 "[ . 1 . 2]" 1
896 1 56 PRO HD2 1 63 TRP HE3 2.188 . 8.000 5.480 5.329 5.641 . 0 0 "[ . 1 . 2]" 1
897 1 48 LEU QD 1 56 PRO HD3 2.371 . 3.074 2.288 2.123 2.411 . 0 0 "[ . 1 . 2]" 1
898 1 54 ARG HB2 1 56 PRO HD3 1.942 . 2.414 2.363 2.264 2.440 0.026 3 0 "[ . 1 . 2]" 1
899 1 54 ARG HB3 1 56 PRO HD3 2.056 . 2.584 2.648 2.625 2.680 0.096 20 0 "[ . 1 . 2]" 1
900 1 56 PRO HD3 1 56 PRO HG2 2.529 . 3.328 2.970 2.960 2.978 . 0 0 "[ . 1 . 2]" 1
901 1 56 PRO HD3 1 63 TRP HE1 2.219 . 8.000 4.392 4.226 4.496 . 0 0 "[ . 1 . 2]" 1
902 1 28 TRP HB2 1 56 PRO HG2 2.560 . 8.000 8.040 8.001 8.092 0.092 4 0 "[ . 1 . 2]" 1
903 1 55 ASN HA 1 56 PRO HG2 2.992 . 8.000 4.327 4.252 4.404 . 0 0 "[ . 1 . 2]" 1
904 1 55 ASN H 1 56 PRO HG2 2.462 . 8.000 5.650 5.538 5.730 . 0 0 "[ . 1 . 2]" 1
905 1 56 PRO HG2 1 63 TRP HE1 2.762 . 3.716 3.711 3.543 3.771 0.055 4 0 "[ . 1 . 2]" 1
906 1 38 ARG QG 1 57 ASP HA 2.308 . 8.000 3.206 3.049 3.355 . 0 0 "[ . 1 . 2]" 1
907 1 57 ASP HA 1 57 ASP HB3 2.220 . 8.000 3.021 3.011 3.028 . 0 0 "[ . 1 . 2]" 1
908 1 57 ASP HA 1 57 ASP HB2 2.447 . 3.196 2.468 2.382 2.506 . 0 0 "[ . 1 . 2]" 1
909 1 57 ASP HB3 1 73 TRP HH2 2.999 . 8.000 6.980 6.288 7.457 . 0 0 "[ . 1 . 2]" 1
910 1 38 ARG HD2 1 57 ASP HB2 2.722 . 8.000 4.294 4.113 4.584 . 0 0 "[ . 1 . 2]" 1
911 1 38 ARG QG 1 57 ASP HB2 2.301 . 2.963 2.334 2.028 2.635 . 0 0 "[ . 1 . 2]" 1
912 1 57 ASP HB2 1 63 TRP HH2 2.635 . 3.503 3.545 3.405 3.631 0.128 3 0 "[ . 1 . 2]" 1
913 1 57 ASP HB2 1 63 TRP HZ2 1.895 . 2.344 1.786 1.597 1.947 . 0 0 "[ . 1 . 2]" 1
914 1 38 ARG QG 1 57 ASP H 2.791 . 3.660 2.763 2.660 2.862 . 0 0 "[ . 1 . 2]" 1
915 1 55 ASN HA 1 57 ASP H 2.591 . 8.000 3.874 3.681 4.091 . 0 0 "[ . 1 . 2]" 1
916 1 56 PRO HD2 1 57 ASP H 2.478 . 3.245 2.728 2.545 2.871 . 0 0 "[ . 1 . 2]" 1
917 1 56 PRO HG3 1 57 ASP H 2.187 . 8.000 3.676 3.568 3.839 . 0 0 "[ . 1 . 2]" 1
918 1 56 PRO HG2 1 57 ASP H 2.251 . 2.884 2.109 1.967 2.313 . 0 0 "[ . 1 . 2]" 1
919 1 57 ASP H 1 57 ASP HA 2.544 . 3.353 2.802 2.776 2.844 . 0 0 "[ . 1 . 2]" 1
920 1 57 ASP H 1 57 ASP HB3 2.470 . 3.233 2.556 2.379 2.662 . 0 0 "[ . 1 . 2]" 1
921 1 57 ASP H 1 57 ASP HB2 2.571 . 3.397 2.500 2.410 2.646 . 0 0 "[ . 1 . 2]" 1
922 1 57 ASP H 1 58 GLY H 2.301 . 2.963 2.707 2.586 2.816 . 0 0 "[ . 1 . 2]" 1
923 1 57 ASP H 1 59 LYS HG3 2.628 . 8.000 5.839 5.332 6.139 . 0 0 "[ . 1 . 2]" 1
924 1 57 ASP H 1 63 TRP HZ2 2.494 . 3.271 2.259 2.045 2.438 . 0 0 "[ . 1 . 2]" 1
925 1 55 ASN HD21 1 58 GLY HA2 2.415 . 8.000 4.398 4.185 4.598 . 0 0 "[ . 1 . 2]" 1
926 1 57 ASP HA 1 58 GLY H 2.203 . 8.000 3.516 3.402 3.553 . 0 0 "[ . 1 . 2]" 1
927 1 58 GLY H 1 59 LYS HG2 2.649 . 3.526 3.388 3.074 3.588 0.062 15 0 "[ . 1 . 2]" 1
928 1 58 GLY H 1 59 LYS HA 2.839 . 8.000 4.804 4.602 5.066 . 0 0 "[ . 1 . 2]" 1
929 1 59 LYS HA 1 59 LYS HB3 2.285 . 2.938 2.451 2.366 2.566 . 0 0 "[ . 1 . 2]" 1
930 1 59 LYS HA 1 59 LYS HB2 2.443 . 3.189 3.024 3.015 3.031 . 0 0 "[ . 1 . 2]" 1
931 1 59 LYS HA 1 59 LYS HG2 2.007 . 8.000 3.120 2.772 3.476 . 0 0 "[ . 1 . 2]" 1
932 1 59 LYS HA 1 75 TYR HE1 2.812 . 8.000 4.542 4.308 4.814 . 0 0 "[ . 1 . 2]" 1
933 1 59 LYS HB3 1 59 LYS HG2 2.588 . 3.425 3.004 2.985 3.012 . 0 0 "[ . 1 . 2]" 1
934 1 59 LYS HB3 1 75 TYR QE 2.085 . 2.628 2.171 1.813 2.572 . 0 0 "[ . 1 . 2]" 1
935 1 59 LYS HB3 1 75 TYR HE1 2.312 . 2.980 2.173 1.814 2.576 . 0 0 "[ . 1 . 2]" 1
936 1 59 LYS HB2 1 60 ARG HG2 2.525 . 8.000 4.241 3.929 4.564 . 0 0 "[ . 1 . 2]" 1
937 1 59 LYS HB2 1 63 TRP HD1 2.245 . 2.875 2.542 2.164 2.908 0.033 19 0 "[ . 1 . 2]" 1
938 1 59 LYS HB2 1 75 TYR QE 2.371 . 3.074 2.516 2.037 2.943 . 0 0 "[ . 1 . 2]" 1
939 1 59 LYS HB3 1 59 LYS HG3 2.259 . 2.897 2.456 2.367 2.596 . 0 0 "[ . 1 . 2]" 1
940 1 59 LYS HG3 1 63 TRP HD1 2.594 . 3.435 3.167 2.906 3.455 0.020 12 0 "[ . 1 . 2]" 1
941 1 59 LYS HG3 1 73 TRP HH2 2.608 . 3.458 3.330 3.087 3.488 0.030 2 0 "[ . 1 . 2]" 1
942 1 59 LYS HG2 1 63 TRP HD1 2.640 . 3.511 3.168 2.550 3.599 0.088 15 0 "[ . 1 . 2]" 1
943 1 59 LYS HG2 1 63 TRP HE1 2.636 . 3.505 2.691 2.202 3.257 . 0 0 "[ . 1 . 2]" 1
944 1 55 ASN HB3 1 59 LYS H 3.244 . 4.559 4.508 4.450 4.589 0.030 18 0 "[ . 1 . 2]" 1
945 1 55 ASN HD22 1 59 LYS H 2.498 . 3.278 2.249 2.026 2.438 . 0 0 "[ . 1 . 2]" 1
946 1 55 ASN HD21 1 59 LYS H 2.317 . 8.000 3.681 3.510 3.847 . 0 0 "[ . 1 . 2]" 1
947 1 58 GLY HA2 1 59 LYS H 1.633 . 8.000 2.531 2.375 2.685 . 0 0 "[ . 1 . 2]" 1
948 1 58 GLY H 1 59 LYS H 2.052 . 8.000 2.455 2.200 2.652 . 0 0 "[ . 1 . 2]" 1
949 1 59 LYS H 1 59 LYS HA 2.621 . 3.480 2.928 2.908 2.943 . 0 0 "[ . 1 . 2]" 1
950 1 59 LYS H 1 59 LYS HB3 2.519 . 8.000 3.670 3.574 3.716 . 0 0 "[ . 1 . 2]" 1
951 1 59 LYS H 1 59 LYS HB2 2.260 . 2.898 2.553 2.316 2.727 . 0 0 "[ . 1 . 2]" 1
952 1 59 LYS H 1 59 LYS HG3 2.572 . 8.000 3.868 3.709 4.022 . 0 0 "[ . 1 . 2]" 1
953 1 59 LYS H 1 59 LYS HG2 2.210 . 2.820 2.559 2.216 2.910 0.090 6 0 "[ . 1 . 2]" 1
954 1 59 LYS H 1 61 ALA H 2.909 . 8.000 4.308 4.237 4.431 . 0 0 "[ . 1 . 2]" 1
955 1 59 LYS H 1 63 TRP HD1 2.673 . 3.566 3.463 3.311 3.585 0.019 9 0 "[ . 1 . 2]" 1
956 1 59 LYS H 1 63 TRP HE1 2.999 . 4.123 3.225 3.007 3.500 . 0 0 "[ . 1 . 2]" 1
957 1 59 LYS H 1 75 TYR HE1 2.912 . 8.000 5.039 4.701 5.274 . 0 0 "[ . 1 . 2]" 1
958 1 8 THR MG 1 60 ARG HA 2.162 . 2.746 2.271 2.166 2.377 . 0 0 "[ . 1 . 2]" 1
959 1 60 ARG HA 1 60 ARG HG2 2.114 . 8.000 3.699 3.617 3.750 . 0 0 "[ . 1 . 2]" 1
960 1 8 THR MG 1 60 ARG HB2 2.535 . 8.000 4.108 3.944 4.319 . 0 0 "[ . 1 . 2]" 1
961 1 60 ARG HB2 1 60 ARG HD3 2.655 . 3.536 3.281 2.472 3.842 0.306 11 0 "[ . 1 . 2]" 1
962 1 60 ARG HB3 1 60 ARG HD3 2.136 . 2.706 3.029 2.189 3.687 0.981 18 8 "[ .****1- . +**]" 1
963 1 60 ARG HD3 1 60 ARG HG2 2.348 . 3.037 2.569 2.312 3.020 . 0 0 "[ . 1 . 2]" 1
964 1 60 ARG HG2 1 75 TYR QE 2.274 . 2.920 2.908 2.658 2.992 0.072 2 0 "[ . 1 . 2]" 1
965 1 60 ARG HG2 1 75 TYR HE1 2.072 . 8.000 2.942 2.692 3.020 . 0 0 "[ . 1 . 2]" 1
966 1 59 LYS HA 1 60 ARG H 2.176 . 8.000 2.705 2.585 2.839 . 0 0 "[ . 1 . 2]" 1
967 1 59 LYS HB3 1 60 ARG H 1.963 . 2.445 2.016 1.887 2.127 . 0 0 "[ . 1 . 2]" 1
968 1 59 LYS HB2 1 60 ARG H 2.686 . 3.588 3.014 2.651 3.415 . 0 0 "[ . 1 . 2]" 1
969 1 60 ARG H 1 60 ARG HA 2.312 . 2.980 2.872 2.851 2.896 . 0 0 "[ . 1 . 2]" 1
970 1 60 ARG H 1 60 ARG HB3 3.028 . 4.174 2.606 2.535 2.678 . 0 0 "[ . 1 . 2]" 1
971 1 60 ARG H 1 60 ARG HD3 2.143 . 8.000 4.181 3.617 4.611 . 0 0 "[ . 1 . 2]" 1
972 1 60 ARG H 1 60 ARG HG2 1.662 . 2.007 1.993 1.785 2.089 0.082 2 0 "[ . 1 . 2]" 1
973 1 60 ARG H 1 61 ALA HA 2.845 . 8.000 5.141 5.069 5.201 . 0 0 "[ . 1 . 2]" 1
974 1 60 ARG H 1 75 TYR HE1 2.531 . 3.331 3.067 2.607 3.244 . 0 0 "[ . 1 . 2]" 1
975 1 5 LEU QD 1 61 ALA HA 2.524 . 3.402 2.949 2.742 3.151 . 0 0 "[ . 1 . 2]" 1
976 1 61 ALA HA 1 61 ALA MB 2.023 . 2.535 2.135 2.133 2.138 . 0 0 "[ . 1 . 2]" 1
977 1 61 ALA HA 1 62 PRO HD3 2.346 . 3.034 2.125 2.076 2.238 . 0 0 "[ . 1 . 2]" 1
978 1 61 ALA HA 1 62 PRO HG3 2.038 . 8.000 4.274 4.217 4.384 . 0 0 "[ . 1 . 2]" 1
979 1 5 LEU QD 1 61 ALA MB 2.435 . 3.176 2.827 2.500 3.104 . 0 0 "[ . 1 . 2]" 1
980 1 60 ARG HA 1 61 ALA MB 2.617 . 8.000 4.521 4.478 4.565 . 0 0 "[ . 1 . 2]" 1
981 1 60 ARG HB2 1 61 ALA MB 2.702 . 8.000 3.943 3.807 4.066 . 0 0 "[ . 1 . 2]" 1
982 1 60 ARG HG2 1 61 ALA MB 2.605 . 3.453 3.448 3.305 3.486 0.033 18 0 "[ . 1 . 2]" 1
983 1 61 ALA MB 1 75 TYR HD1 2.150 . 8.000 2.580 2.275 2.789 . 0 0 "[ . 1 . 2]" 1
984 1 55 ASN HB3 1 61 ALA H 2.778 . 8.000 6.243 5.874 6.416 . 0 0 "[ . 1 . 2]" 1
985 1 59 LYS HB3 1 61 ALA H 2.235 . 8.000 2.938 2.483 3.273 . 0 0 "[ . 1 . 2]" 1
986 1 59 LYS HB2 1 61 ALA H 2.208 . 2.817 2.594 2.341 2.840 0.023 3 0 "[ . 1 . 2]" 1
987 1 60 ARG HA 1 61 ALA H 2.243 . 8.000 3.395 3.352 3.439 . 0 0 "[ . 1 . 2]" 1
988 1 60 ARG HB3 1 61 ALA H 3.554 . 5.133 4.178 4.112 4.276 . 0 0 "[ . 1 . 2]" 1
989 1 60 ARG HG2 1 61 ALA H 2.194 . 2.796 2.854 2.820 2.881 0.085 14 0 "[ . 1 . 2]" 1
990 1 60 ARG H 1 61 ALA H 2.673 . 3.566 2.468 2.383 2.534 . 0 0 "[ . 1 . 2]" 1
991 1 61 ALA H 1 61 ALA MB 1.971 . 8.000 2.711 2.670 2.745 . 0 0 "[ . 1 . 2]" 1
992 1 61 ALA H 1 75 TYR QE 2.018 . 8.000 2.578 2.241 2.993 . 0 0 "[ . 1 . 2]" 1
993 1 61 ALA H 1 75 TYR HE1 1.887 . 8.000 2.580 2.242 2.996 . 0 0 "[ . 1 . 2]" 1
994 1 54 ARG H 1 62 PRO HA 2.206 . 8.000 5.016 4.857 5.113 . 0 0 "[ . 1 . 2]" 1
995 1 55 ASN HB3 1 62 PRO HA 2.295 . 8.000 4.070 3.591 4.266 . 0 0 "[ . 1 . 2]" 1
996 1 55 ASN HB2 1 62 PRO HA 2.315 . 2.985 2.345 1.900 2.525 . 0 0 "[ . 1 . 2]" 1
997 1 62 PRO HA 1 63 TRP HD1 2.438 . 8.000 3.528 3.366 3.670 . 0 0 "[ . 1 . 2]" 1
998 1 62 PRO HA 1 78 ILE HG13 2.716 . 8.000 5.661 5.483 5.839 . 0 0 "[ . 1 . 2]" 1
999 1 62 PRO HB2 1 78 ILE MD 2.789 . 3.761 3.324 3.091 3.543 . 0 0 "[ . 1 . 2]" 1
1000 1 54 ARG H 1 62 PRO HB3 2.510 . 8.000 4.536 4.396 4.657 . 0 0 "[ . 1 . 2]" 1
1001 1 62 PRO HB3 1 63 TRP H 3.049 . 4.211 3.349 3.247 3.433 . 0 0 "[ . 1 . 2]" 1
1002 1 62 PRO HB3 1 75 TYR HE1 2.752 . 8.000 7.705 7.389 8.145 0.145 3 0 "[ . 1 . 2]" 1
1003 1 61 ALA MB 1 62 PRO HD3 2.225 . 2.844 2.848 2.777 2.877 0.033 16 0 "[ . 1 . 2]" 1
1004 1 62 PRO HD3 1 62 PRO HG3 2.081 . 2.622 2.312 2.299 2.321 . 0 0 "[ . 1 . 2]" 1
1005 1 62 PRO HD3 1 78 ILE HB 2.728 . 8.000 4.763 4.088 5.052 . 0 0 "[ . 1 . 2]" 1
1006 1 62 PRO HD3 1 78 ILE MD 2.662 . 8.000 5.578 5.451 5.805 . 0 0 "[ . 1 . 2]" 1
1007 1 9 GLY HA3 1 62 PRO HD2 2.147 . 8.000 4.373 3.899 4.643 . 0 0 "[ . 1 . 2]" 1
1008 1 55 ASN HD21 1 62 PRO HD2 2.378 . 8.000 5.484 5.295 5.836 . 0 0 "[ . 1 . 2]" 1
1009 1 61 ALA MB 1 62 PRO HD2 2.164 . 2.749 1.991 1.860 2.066 . 0 0 "[ . 1 . 2]" 1
1010 1 62 PRO HD2 1 78 ILE HB 2.144 . 8.000 4.064 3.587 4.433 . 0 0 "[ . 1 . 2]" 1
1011 1 5 LEU QD 1 62 PRO HG3 2.302 . 2.964 2.156 1.890 2.349 . 0 0 "[ . 1 . 2]" 1
1012 1 62 PRO HB3 1 62 PRO HG3 1.839 . 2.262 2.317 2.304 2.331 0.069 16 0 "[ . 1 . 2]" 1
1013 1 12 TYR H 1 62 PRO HG2 2.087 . 8.000 6.275 5.878 6.577 . 0 0 "[ . 1 . 2]" 1
1014 1 62 PRO HB3 1 62 PRO HG2 2.503 . 3.286 2.639 2.625 2.653 . 0 0 "[ . 1 . 2]" 1
1015 1 55 ASN HB3 1 63 TRP HA 3.227 . 8.000 8.008 7.687 8.083 0.083 13 0 "[ . 1 . 2]" 1
1016 1 63 TRP HA 1 63 TRP HB3 2.488 . 3.262 2.479 2.465 2.496 . 0 0 "[ . 1 . 2]" 1
1017 1 63 TRP HA 1 63 TRP HB2 1.996 . 2.494 2.421 2.403 2.438 . 0 0 "[ . 1 . 2]" 1
1018 1 63 TRP HA 1 63 TRP HH2 2.807 . 8.000 7.988 7.957 8.013 0.013 9 0 "[ . 1 . 2]" 1
1019 1 63 TRP HA 1 73 TRP HE3 3.807 . 5.619 4.123 3.959 4.374 . 0 0 "[ . 1 . 2]" 1
1020 1 59 LYS HG2 1 63 TRP HB3 2.939 . 8.000 4.777 4.182 5.156 . 0 0 "[ . 1 . 2]" 1
1021 1 63 TRP HB3 1 63 TRP HD1 2.315 . 2.985 2.714 2.690 2.750 . 0 0 "[ . 1 . 2]" 1
1022 1 63 TRP HB3 1 73 TRP HE3 2.205 . 8.000 3.164 3.022 3.362 . 0 0 "[ . 1 . 2]" 1
1023 1 63 TRP HB2 1 65 HIS HD2 2.795 . 8.000 7.461 7.316 7.598 . 0 0 "[ . 1 . 2]" 1
1024 1 63 TRP HB2 1 73 TRP HE3 2.402 . 3.123 1.852 1.738 2.048 . 0 0 "[ . 1 . 2]" 1
1025 1 63 TRP HB2 1 74 GLU H 2.557 . 8.000 3.599 3.473 3.754 . 0 0 "[ . 1 . 2]" 1
1026 1 63 TRP HB2 1 75 TYR H 2.607 . 8.000 4.542 4.407 4.732 . 0 0 "[ . 1 . 2]" 1
1027 1 55 ASN HB2 1 63 TRP HD1 2.803 . 3.785 3.673 3.336 3.812 0.027 3 0 "[ . 1 . 2]" 1
1028 1 60 ARG HG2 1 63 TRP HD1 3.052 . 8.000 6.391 6.124 6.594 . 0 0 "[ . 1 . 2]" 1
1029 1 56 PRO HD2 1 63 TRP HE1 2.177 . 2.769 2.716 2.548 2.813 0.044 15 0 "[ . 1 . 2]" 1
1030 1 57 ASP H 1 63 TRP HE1 2.641 . 3.513 2.504 2.224 2.754 . 0 0 "[ . 1 . 2]" 1
1031 1 59 LYS HG3 1 63 TRP HE1 2.491 . 8.000 3.645 3.425 3.820 . 0 0 "[ . 1 . 2]" 1
1032 1 63 TRP HA 1 63 TRP HE3 3.022 . 4.164 4.218 4.181 4.264 0.100 9 0 "[ . 1 . 2]" 1
1033 1 63 TRP HB2 1 63 TRP HE3 2.424 . 3.159 2.491 2.433 2.537 . 0 0 "[ . 1 . 2]" 1
1034 1 63 TRP HE3 1 65 HIS HA 3.102 . 4.305 4.215 4.070 4.336 0.031 9 0 "[ . 1 . 2]" 1
1035 1 63 TRP HE3 1 65 HIS HD2 2.558 . 8.000 5.124 5.016 5.262 . 0 0 "[ . 1 . 2]" 1
1036 1 63 TRP HE3 1 73 TRP HE3 2.370 . 3.072 2.504 2.244 2.736 . 0 0 "[ . 1 . 2]" 1
1037 1 63 TRP HH2 1 73 TRP HB3 3.353 . 4.758 4.682 4.413 4.840 0.082 3 0 "[ . 1 . 2]" 1
1038 1 62 PRO HA 1 63 TRP H 1.857 . 2.288 2.175 2.150 2.197 . 0 0 "[ . 1 . 2]" 1
1039 1 62 PRO HB2 1 63 TRP H 2.371 . 8.000 3.779 3.662 3.891 . 0 0 "[ . 1 . 2]" 1
1040 1 63 TRP H 1 63 TRP HA 2.726 . 3.655 2.902 2.894 2.910 . 0 0 "[ . 1 . 2]" 1
1041 1 63 TRP H 1 63 TRP HB2 3.019 . 4.158 3.918 3.890 3.937 . 0 0 "[ . 1 . 2]" 1
1042 1 63 TRP H 1 63 TRP HD1 2.523 . 3.319 3.017 2.875 3.146 . 0 0 "[ . 1 . 2]" 1
1043 1 38 ARG HE 1 63 TRP HZ2 2.699 . 3.610 3.213 2.748 3.495 . 0 0 "[ . 1 . 2]" 1
1044 1 56 PRO HG2 1 63 TRP HZ2 2.392 . 3.107 2.442 2.238 2.607 . 0 0 "[ . 1 . 2]" 1
1045 1 63 TRP HZ2 1 73 TRP HH2 2.551 . 8.000 7.900 7.576 8.032 0.032 10 0 "[ . 1 . 2]" 1
1046 1 28 TRP HZ3 1 63 TRP HZ3 2.879 . 3.915 3.513 3.245 3.777 . 0 0 "[ . 1 . 2]" 1
1047 1 63 TRP HH2 1 63 TRP HZ3 2.075 . 2.613 2.440 2.436 2.444 . 0 0 "[ . 1 . 2]" 1
1048 1 63 TRP HZ3 1 65 HIS HD2 2.628 . 3.491 3.332 3.200 3.504 0.013 4 0 "[ . 1 . 2]" 1
1049 1 63 TRP HZ3 1 65 HIS HE1 2.412 . 8.000 3.000 2.788 3.145 . 0 0 "[ . 1 . 2]" 1
1050 1 28 TRP HZ2 1 64 CYS HA 2.502 . 3.284 3.109 2.995 3.199 . 0 0 "[ . 1 . 2]" 1
1051 1 54 ARG H 1 64 CYS HA 2.324 . 8.000 4.541 4.410 4.655 . 0 0 "[ . 1 . 2]" 1
1052 1 63 TRP HE3 1 64 CYS HA 2.487 . 3.260 3.064 2.841 3.285 0.025 9 0 "[ . 1 . 2]" 1
1053 1 64 CYS HA 1 64 CYS HB3 2.398 . 3.117 2.556 2.541 2.573 . 0 0 "[ . 1 . 2]" 1
1054 1 64 CYS HA 1 64 CYS HB2 2.506 . 3.291 2.376 2.361 2.392 . 0 0 "[ . 1 . 2]" 1
1055 1 64 CYS H 1 64 CYS HB2 3.001 . 4.127 3.976 3.940 3.996 . 0 0 "[ . 1 . 2]" 1
1056 1 64 CYS HB2 1 65 HIS H 2.273 . 2.919 2.257 2.173 2.390 . 0 0 "[ . 1 . 2]" 1
1057 1 53 CYS HA 1 64 CYS H 3.543 . 5.112 4.923 4.813 5.050 . 0 0 "[ . 1 . 2]" 1
1058 1 63 TRP HA 1 64 CYS H 1.846 . 8.000 2.404 2.308 2.460 . 0 0 "[ . 1 . 2]" 1
1059 1 63 TRP HB3 1 64 CYS H 2.165 . 8.000 3.854 3.777 3.956 . 0 0 "[ . 1 . 2]" 1
1060 1 63 TRP HB2 1 64 CYS H 2.118 . 2.679 2.505 2.384 2.678 . 0 0 "[ . 1 . 2]" 1
1061 1 63 TRP HE3 1 64 CYS H 2.383 . 3.093 2.746 2.553 3.064 . 0 0 "[ . 1 . 2]" 1
1062 1 63 TRP HH2 1 64 CYS H 2.473 . 8.000 6.815 6.669 7.085 . 0 0 "[ . 1 . 2]" 1
1063 1 64 CYS H 1 73 TRP HA 2.802 . 8.000 4.572 4.439 4.693 . 0 0 "[ . 1 . 2]" 1
1064 1 65 HIS HA 1 65 HIS HB3 2.172 . 2.762 2.491 2.461 2.509 . 0 0 "[ . 1 . 2]" 1
1065 1 65 HIS HA 1 65 HIS HD2 2.668 . 3.558 3.207 3.091 3.350 . 0 0 "[ . 1 . 2]" 1
1066 1 65 HIS H 1 65 HIS HA 2.399 . 3.119 2.937 2.923 2.946 . 0 0 "[ . 1 . 2]" 1
1067 1 65 HIS HA 1 73 TRP HB3 2.847 . 3.860 3.348 3.083 3.524 . 0 0 "[ . 1 . 2]" 1
1068 1 65 HIS HA 1 74 GLU H 2.412 . 8.000 3.533 3.384 3.680 . 0 0 "[ . 1 . 2]" 1
1069 1 34 HIS HB2 1 65 HIS HB3 2.013 . 2.520 2.617 2.568 2.675 0.155 16 0 "[ . 1 . 2]" 1
1070 1 34 HIS H 1 65 HIS HB3 2.332 . 8.000 4.362 4.247 4.459 . 0 0 "[ . 1 . 2]" 1
1071 1 36 HIS HE1 1 65 HIS HB3 2.432 . 8.000 7.084 6.881 7.376 . 0 0 "[ . 1 . 2]" 1
1072 1 65 HIS HB3 1 65 HIS HD2 2.364 . 3.063 2.831 2.787 2.859 . 0 0 "[ . 1 . 2]" 1
1073 1 26 GLN HB3 1 65 HIS HB2 2.236 . 2.861 2.439 2.265 2.643 . 0 0 "[ . 1 . 2]" 1
1074 1 26 GLN HE22 1 65 HIS HB2 2.433 . 3.173 2.883 2.763 3.002 . 0 0 "[ . 1 . 2]" 1
1075 1 26 GLN HE21 1 65 HIS HB2 2.258 . 2.895 3.026 2.960 3.204 0.309 6 0 "[ . 1 . 2]" 1
1076 1 26 GLN H 1 65 HIS HB2 2.560 . 8.000 3.858 3.731 3.955 . 0 0 "[ . 1 . 2]" 1
1077 1 27 HIS H 1 65 HIS HB2 2.372 . 8.000 5.825 5.656 5.956 . 0 0 "[ . 1 . 2]" 1
1078 1 28 TRP HE3 1 65 HIS HB2 2.631 . 8.000 5.515 5.337 5.760 . 0 0 "[ . 1 . 2]" 1
1079 1 28 TRP HZ3 1 65 HIS HB2 2.872 . 8.000 5.198 4.992 5.456 . 0 0 "[ . 1 . 2]" 1
1080 1 65 HIS HB2 1 65 HIS HD2 2.906 . 3.961 3.915 3.885 3.930 . 0 0 "[ . 1 . 2]" 1
1081 1 28 TRP HZ3 1 65 HIS HE1 2.310 . 2.977 1.975 1.780 2.082 . 0 0 "[ . 1 . 2]" 1
1082 1 36 HIS HE1 1 65 HIS HE1 2.130 . 8.000 4.566 4.298 4.860 . 0 0 "[ . 1 . 2]" 1
1083 1 38 ARG HB2 1 65 HIS HE1 2.996 . 4.118 2.177 2.000 2.426 . 0 0 "[ . 1 . 2]" 1
1084 1 38 ARG HD3 1 65 HIS HE1 2.531 . 3.331 3.328 3.106 3.387 0.056 1 0 "[ . 1 . 2]" 1
1085 1 64 CYS HA 1 65 HIS H 2.069 . 2.604 2.577 2.493 2.627 0.023 12 0 "[ . 1 . 2]" 1
1086 1 64 CYS HB3 1 65 HIS H 2.657 . 8.000 3.721 3.660 3.815 . 0 0 "[ . 1 . 2]" 1
1087 1 65 HIS H 1 65 HIS HB2 2.409 . 3.134 2.517 2.477 2.584 . 0 0 "[ . 1 . 2]" 1
1088 1 66 THR HA 1 66 THR MG 2.272 . 2.917 2.519 2.450 2.578 . 0 0 "[ . 1 . 2]" 1
1089 1 66 THR H 1 66 THR HA 2.382 . 3.091 2.878 2.862 2.899 . 0 0 "[ . 1 . 2]" 1
1090 1 66 THR HA 1 67 THR MG 2.412 . 8.000 3.919 3.823 4.001 . 0 0 "[ . 1 . 2]" 1
1091 1 66 THR HA 1 68 ASN H 2.694 . 3.601 3.669 3.564 3.722 0.121 17 0 "[ . 1 . 2]" 1
1092 1 23 HIS HB3 1 66 THR HB 2.281 . 2.932 1.913 1.755 2.075 . 0 0 "[ . 1 . 2]" 1
1093 1 23 HIS HB2 1 66 THR HB 2.546 . 3.356 3.315 3.080 3.404 0.048 7 0 "[ . 1 . 2]" 1
1094 1 26 GLN H 1 66 THR HB 2.905 . 8.000 5.306 5.077 5.498 . 0 0 "[ . 1 . 2]" 1
1095 1 65 HIS HB3 1 66 THR HB 2.144 . 8.000 6.462 6.385 6.550 . 0 0 "[ . 1 . 2]" 1
1096 1 66 THR HA 1 66 THR HB 2.387 . 3.099 2.370 2.332 2.413 . 0 0 "[ . 1 . 2]" 1
1097 1 66 THR HB 1 66 THR MG 2.280 . 2.930 2.136 2.133 2.139 . 0 0 "[ . 1 . 2]" 1
1098 1 65 HIS HB3 1 66 THR HG1 2.329 . 8.000 5.146 4.887 5.361 . 0 0 "[ . 1 . 2]" 1
1099 1 66 THR HG1 1 66 THR MG 2.036 . 2.554 2.158 2.101 2.225 . 0 0 "[ . 1 . 2]" 1
1100 1 66 THR HG1 1 71 VAL QG 2.754 . 3.702 2.131 1.972 2.273 . 0 0 "[ . 1 . 2]" 1
1101 1 23 HIS HB2 1 66 THR MG 2.321 . 2.994 2.582 2.344 2.798 . 0 0 "[ . 1 . 2]" 1
1102 1 65 HIS HA 1 66 THR MG 2.648 . 3.525 3.355 3.271 3.448 . 0 0 "[ . 1 . 2]" 1
1103 1 65 HIS HB3 1 66 THR MG 2.739 . 8.000 4.820 4.670 4.934 . 0 0 "[ . 1 . 2]" 1
1104 1 66 THR MG 1 67 THR H 2.287 . 8.000 4.090 4.004 4.165 . 0 0 "[ . 1 . 2]" 1
1105 1 66 THR MG 1 68 ASN QB 2.528 . 8.000 3.863 3.629 4.236 . 0 0 "[ . 1 . 2]" 1
1106 1 66 THR MG 1 71 VAL QG 2.558 . 2.756 1.830 1.701 1.989 0.039 4 0 "[ . 1 . 2]" 1
1107 1 66 THR MG 1 74 GLU HB2 2.408 . 3.133 2.226 1.913 2.506 . 0 0 "[ . 1 . 2]" 1
1108 1 34 HIS H 1 66 THR H 3.140 . 8.000 6.514 6.338 6.775 . 0 0 "[ . 1 . 2]" 1
1109 1 65 HIS HA 1 66 THR H 2.263 . 2.903 2.196 2.155 2.243 . 0 0 "[ . 1 . 2]" 1
1110 1 65 HIS HB3 1 66 THR H 2.553 . 3.368 3.243 3.113 3.381 0.013 17 0 "[ . 1 . 2]" 1
1111 1 66 THR H 1 66 THR MG 2.221 . 2.838 1.951 1.831 2.051 . 0 0 "[ . 1 . 2]" 1
1112 1 66 THR H 1 73 TRP HA 2.771 . 3.731 2.701 2.412 2.881 . 0 0 "[ . 1 . 2]" 1
1113 1 33 PRO HD3 1 67 THR HA 3.095 . 4.292 3.403 3.272 3.623 . 0 0 "[ . 1 . 2]" 1
1114 1 33 PRO HG2 1 67 THR HA 2.401 . 3.122 2.462 2.341 2.551 . 0 0 "[ . 1 . 2]" 1
1115 1 34 HIS H 1 67 THR HA 2.441 . 8.000 4.793 4.548 4.912 . 0 0 "[ . 1 . 2]" 1
1116 1 65 HIS HB2 1 67 THR HA 2.701 . 8.000 6.013 5.837 6.113 . 0 0 "[ . 1 . 2]" 1
1117 1 67 THR HA 1 67 THR MG 1.866 . 2.301 2.208 2.151 2.303 0.002 5 0 "[ . 1 . 2]" 1
1118 1 67 THR HA 1 67 THR HB 2.432 . 3.172 2.538 2.513 2.568 . 0 0 "[ . 1 . 2]" 1
1119 1 67 THR HB 1 67 THR MG 1.949 . 2.424 2.128 2.119 2.135 . 0 0 "[ . 1 . 2]" 1
1120 1 67 THR H 1 67 THR HB 2.552 . 8.000 3.578 3.539 3.599 . 0 0 "[ . 1 . 2]" 1
1121 1 24 THR HB 1 67 THR MG 2.643 . 3.516 2.987 2.791 3.158 . 0 0 "[ . 1 . 2]" 1
1122 1 24 THR MG 1 67 THR MG 1.610 . 1.934 2.096 2.060 2.125 0.191 18 0 "[ . 1 . 2]" 1
1123 1 26 GLN H 1 67 THR MG 2.376 . 3.082 2.851 2.667 3.033 . 0 0 "[ . 1 . 2]" 1
1124 1 33 PRO HG2 1 67 THR MG 2.640 . 3.511 3.608 3.586 3.639 0.128 8 0 "[ . 1 . 2]" 1
1125 1 24 THR H 1 67 THR H 2.806 . 3.790 3.790 3.710 3.837 0.047 9 0 "[ . 1 . 2]" 1
1126 1 66 THR HA 1 67 THR H 1.999 . 2.499 2.212 2.187 2.244 . 0 0 "[ . 1 . 2]" 1
1127 1 66 THR HB 1 67 THR H 1.823 . 8.000 3.022 2.930 3.156 . 0 0 "[ . 1 . 2]" 1
1128 1 67 THR H 1 67 THR HA 2.199 . 2.803 2.851 2.831 2.861 0.058 6 0 "[ . 1 . 2]" 1
1129 1 67 THR H 1 67 THR MG 2.066 . 2.600 2.489 2.377 2.579 . 0 0 "[ . 1 . 2]" 1
1130 1 68 ASN HA 1 68 ASN QB 2.463 . 3.146 2.388 2.353 2.471 . 0 0 "[ . 1 . 2]" 1
1131 1 68 ASN QB 1 68 ASN HD21 3.093 . 4.289 2.259 2.214 2.756 . 0 0 "[ . 1 . 2]" 1
1132 1 23 HIS HE1 1 68 ASN HD22 3.638 . 8.000 6.806 6.308 7.476 . 0 0 "[ . 1 . 2]" 1
1133 1 66 THR HB 1 68 ASN H 2.289 . 2.944 2.737 2.419 2.956 0.012 11 0 "[ . 1 . 2]" 1
1134 1 66 THR HG1 1 68 ASN H 1.935 . 8.000 3.298 3.043 3.928 . 0 0 "[ . 1 . 2]" 1
1135 1 67 THR HA 1 68 ASN H 2.232 . 8.000 3.075 2.957 3.295 . 0 0 "[ . 1 . 2]" 1
1136 1 67 THR H 1 68 ASN H 1.871 . 8.000 2.867 2.605 3.020 . 0 0 "[ . 1 . 2]" 1
1137 1 68 ASN H 1 68 ASN QB 2.361 . 2.785 2.510 2.283 2.635 . 0 0 "[ . 1 . 2]" 1
1138 1 68 ASN H 1 69 SER HA 2.669 . 8.000 4.953 4.729 5.243 . 0 0 "[ . 1 . 2]" 1
1139 1 68 ASN H 1 71 VAL QG 2.584 . 8.000 3.944 3.726 4.212 . 0 0 "[ . 1 . 2]" 1
1140 1 69 SER HA 1 69 SER HB3 2.251 . 2.884 2.595 2.295 3.034 0.150 18 0 "[ . 1 . 2]" 1
1141 1 69 SER H 1 69 SER HA 2.662 . 3.548 2.899 2.843 2.936 . 0 0 "[ . 1 . 2]" 1
1142 1 69 SER H 1 70 GLN HA 1.852 . 8.000 4.850 4.649 5.185 . 0 0 "[ . 1 . 2]" 1
1143 1 69 SER H 1 70 GLN HB2 2.958 . 8.000 4.918 4.632 5.510 . 0 0 "[ . 1 . 2]" 1
1144 1 69 SER H 1 70 GLN QG 2.882 . 3.920 3.196 2.926 3.811 . 0 0 "[ . 1 . 2]" 1
1145 1 70 GLN HA 1 70 GLN QG 2.009 . 8.000 2.666 2.525 3.209 . 0 0 "[ . 1 . 2]" 1
1146 1 70 GLN HA 1 71 VAL H 2.173 . 8.000 3.482 3.409 3.538 . 0 0 "[ . 1 . 2]" 1
1147 1 70 GLN HB2 1 70 GLN QG 1.950 . 2.425 2.302 2.152 2.389 . 0 0 "[ . 1 . 2]" 1
1148 1 70 GLN HB2 1 71 VAL QG 2.614 . 3.468 2.711 2.368 2.919 . 0 0 "[ . 1 . 2]" 1
1149 1 70 GLN HB2 1 71 VAL H 2.735 . 3.670 2.572 1.888 2.948 . 0 0 "[ . 1 . 2]" 1
1150 1 68 ASN QB 1 70 GLN HE22 3.445 . 4.929 4.170 3.571 4.890 . 0 0 "[ . 1 . 2]" 1
1151 1 70 GLN HE22 1 70 GLN QG 3.446 . 4.931 3.280 3.196 3.486 . 0 0 "[ . 1 . 2]" 1
1152 1 68 ASN QB 1 70 GLN HE21 3.059 . 4.229 2.842 2.032 4.158 . 0 0 "[ . 1 . 2]" 1
1153 1 70 GLN HE21 1 70 GLN QG 3.262 . 4.592 2.246 2.129 2.802 . 0 0 "[ . 1 . 2]" 1
1154 1 68 ASN QB 1 70 GLN QG 1.829 . 2.247 2.226 1.895 2.331 0.084 3 0 "[ . 1 . 2]" 1
1155 1 70 GLN H 1 70 GLN QG 2.557 . 3.309 1.984 1.805 2.158 . 0 0 "[ . 1 . 2]" 1
1156 1 23 HIS HD2 1 70 GLN QG 2.282 . 8.000 4.920 4.107 5.512 . 0 0 "[ . 1 . 2]" 1
1157 1 69 SER HA 1 70 GLN H 2.714 . 3.634 3.209 2.913 3.278 . 0 0 "[ . 1 . 2]" 1
1158 1 69 SER HB2 1 70 GLN H 2.966 . 4.066 3.899 3.458 4.534 0.468 5 0 "[ . 1 . 2]" 1
1159 1 70 GLN H 1 70 GLN HA 2.262 . 2.901 2.868 2.822 2.907 0.006 3 0 "[ . 1 . 2]" 1
1160 1 70 GLN H 1 70 GLN HB2 2.095 . 2.644 2.637 2.575 2.717 0.073 19 0 "[ . 1 . 2]" 1
1161 1 70 GLN H 1 71 VAL QG 2.750 . 3.695 3.664 3.337 3.753 0.058 3 0 "[ . 1 . 2]" 1
1162 1 71 VAL HA 1 71 VAL HB 2.230 . 2.851 2.427 2.415 2.443 . 0 0 "[ . 1 . 2]" 1
1163 1 71 VAL HA 1 71 VAL QG 2.160 . 2.654 2.355 2.325 2.373 . 0 0 "[ . 1 . 2]" 1
1164 1 68 ASN QB 1 71 VAL HB 2.887 . 8.000 4.848 4.341 5.601 . 0 0 "[ . 1 . 2]" 1
1165 1 68 ASN H 1 71 VAL HB 2.489 . 8.000 6.988 6.738 7.271 . 0 0 "[ . 1 . 2]" 1
1166 1 71 VAL HB 1 71 VAL QG 1.684 . 2.038 1.888 1.885 1.891 . 0 0 "[ . 1 . 2]" 1
1167 1 71 VAL HB 1 74 GLU HG3 2.113 . 8.000 4.930 4.638 5.227 . 0 0 "[ . 1 . 2]" 1
1168 1 23 HIS HD2 1 71 VAL QG 2.237 . 2.863 2.904 2.718 2.987 0.124 19 0 "[ . 1 . 2]" 1
1169 1 23 HIS HE1 1 71 VAL QG 2.511 . 8.000 3.262 2.887 3.815 . 0 0 "[ . 1 . 2]" 1
1170 1 71 VAL QG 1 73 TRP H 2.272 . 8.000 3.502 3.343 3.755 . 0 0 "[ . 1 . 2]" 1
1171 1 70 GLN H 1 71 VAL H 1.837 . 8.000 2.414 2.094 2.663 . 0 0 "[ . 1 . 2]" 1
1172 1 71 VAL H 1 71 VAL HA 2.658 . 3.541 2.920 2.894 2.936 . 0 0 "[ . 1 . 2]" 1
1173 1 71 VAL H 1 71 VAL HB 2.409 . 3.134 3.204 2.856 3.325 0.191 18 0 "[ . 1 . 2]" 1
1174 1 71 VAL H 1 71 VAL QG 2.322 . 2.996 2.114 1.782 2.315 . 0 0 "[ . 1 . 2]" 1
1175 1 65 HIS HD2 1 72 ARG HA 2.775 . 8.000 4.870 4.652 5.199 . 0 0 "[ . 1 . 2]" 1
1176 1 72 ARG HA 1 72 ARG HB3 2.206 . 8.000 2.886 2.391 3.027 . 0 0 "[ . 1 . 2]" 1
1177 1 72 ARG HA 1 73 TRP HD1 2.962 . 8.000 5.021 4.807 5.132 . 0 0 "[ . 1 . 2]" 1
1178 1 71 VAL QG 1 72 ARG HB3 2.741 . 3.680 3.854 3.515 4.612 0.932 12 5 "[ * * 1 + . *-2]" 1
1179 1 72 ARG HB3 1 73 TRP HD1 2.090 . 2.636 2.674 2.502 2.930 0.294 12 0 "[ . 1 . 2]" 1
1180 1 72 ARG HE 1 73 TRP HD1 1.548 . 1.848 1.890 1.738 2.086 0.238 5 0 "[ . 1 . 2]" 1
1181 1 34 HIS HD2 1 72 ARG QG 2.844 . 3.855 3.518 2.833 3.811 . 0 0 "[ . 1 . 2]" 1
1182 1 72 ARG HA 1 72 ARG QG 1.889 . 8.000 2.468 2.379 2.657 . 0 0 "[ . 1 . 2]" 1
1183 1 72 ARG HE 1 72 ARG QG 2.848 . 3.862 2.766 2.516 3.331 . 0 0 "[ . 1 . 2]" 1
1184 1 71 VAL HA 1 72 ARG H 1.771 . 8.000 2.334 2.266 2.401 . 0 0 "[ . 1 . 2]" 1
1185 1 71 VAL HB 1 72 ARG H 2.368 . 8.000 3.960 3.922 4.012 . 0 0 "[ . 1 . 2]" 1
1186 1 71 VAL QG 1 72 ARG H 2.758 . 3.332 2.161 2.053 2.235 . 0 0 "[ . 1 . 2]" 1
1187 1 72 ARG H 1 72 ARG HA 2.235 . 2.859 2.882 2.857 2.907 0.048 10 0 "[ . 1 . 2]" 1
1188 1 72 ARG H 1 72 ARG HB3 2.395 . 3.112 2.769 2.407 3.637 0.525 5 3 "[ + * 1 - . 2]" 1
1189 1 72 ARG H 1 73 TRP HD1 2.818 . 8.000 4.919 4.677 5.064 . 0 0 "[ . 1 . 2]" 1
1190 1 72 ARG H 1 73 TRP H 2.552 . 3.366 3.336 3.220 3.453 0.087 7 0 "[ . 1 . 2]" 1
1191 1 65 HIS HA 1 73 TRP HA 2.451 . 3.202 2.029 1.790 2.268 . 0 0 "[ . 1 . 2]" 1
1192 1 65 HIS HD2 1 73 TRP HA 2.857 . 3.877 3.781 3.581 3.916 0.039 6 0 "[ . 1 . 2]" 1
1193 1 66 THR MG 1 73 TRP HA 2.231 . 2.853 2.843 2.665 2.903 0.050 8 0 "[ . 1 . 2]" 1
1194 1 71 VAL H 1 73 TRP HA 2.861 . 8.000 7.457 7.293 7.723 . 0 0 "[ . 1 . 2]" 1
1195 1 73 TRP HA 1 73 TRP HB2 2.552 . 3.366 2.425 2.411 2.436 . 0 0 "[ . 1 . 2]" 1
1196 1 73 TRP HA 1 73 TRP HB3 2.536 . 3.340 2.470 2.438 2.482 . 0 0 "[ . 1 . 2]" 1
1197 1 73 TRP HA 1 73 TRP HD1 2.852 . 8.000 4.310 4.238 4.367 . 0 0 "[ . 1 . 2]" 1
1198 1 63 TRP HH2 1 73 TRP HB2 3.291 . 8.000 4.984 4.742 5.111 . 0 0 "[ . 1 . 2]" 1
1199 1 66 THR MG 1 73 TRP HB2 2.761 . 8.000 4.754 4.550 4.850 . 0 0 "[ . 1 . 2]" 1
1200 1 73 TRP HB2 1 73 TRP HD1 2.821 . 3.816 3.870 3.854 3.888 0.072 5 0 "[ . 1 . 2]" 1
1201 1 73 TRP HB2 1 73 TRP HE3 2.287 . 2.941 2.414 2.367 2.436 . 0 0 "[ . 1 . 2]" 1
1202 1 63 TRP HE3 1 73 TRP HB3 2.736 . 3.672 3.337 3.077 3.555 . 0 0 "[ . 1 . 2]" 1
1203 1 65 HIS HD2 1 73 TRP HB3 2.263 . 2.903 2.796 2.432 2.921 0.018 13 0 "[ . 1 . 2]" 1
1204 1 73 TRP HB3 1 73 TRP HD1 2.242 . 2.870 2.804 2.768 2.860 . 0 0 "[ . 1 . 2]" 1
1205 1 65 HIS HD2 1 73 TRP HD1 2.599 . 8.000 4.627 4.157 4.952 . 0 0 "[ . 1 . 2]" 1
1206 1 73 TRP HD1 1 75 TYR H 2.435 . 8.000 8.002 7.817 8.058 0.058 3 0 "[ . 1 . 2]" 1
1207 1 72 ARG HE 1 73 TRP HE1 2.459 . 3.215 3.151 2.572 3.306 0.091 1 0 "[ . 1 . 2]" 1
1208 1 63 TRP HZ3 1 73 TRP HE3 2.897 . 8.000 4.433 4.215 4.649 . 0 0 "[ . 1 . 2]" 1
1209 1 73 TRP HH2 1 75 TYR HE1 2.672 . 3.564 3.610 3.580 3.659 0.095 4 0 "[ . 1 . 2]" 1
1210 1 72 ARG HB3 1 73 TRP H 2.543 . 3.351 1.892 1.731 2.447 0.004 9 0 "[ . 1 . 2]" 1
1211 1 73 TRP H 1 73 TRP HA 2.848 . 3.862 2.916 2.893 2.926 . 0 0 "[ . 1 . 2]" 1
1212 1 73 TRP H 1 73 TRP HD1 2.350 . 3.040 2.092 1.941 2.188 . 0 0 "[ . 1 . 2]" 1
1213 1 73 TRP H 1 73 TRP HE1 2.898 . 8.000 4.237 4.204 4.301 . 0 0 "[ . 1 . 2]" 1
1214 1 73 TRP HZ3 1 75 TYR QE 2.867 . 3.894 2.886 2.791 2.947 . 0 0 "[ . 1 . 2]" 1
1215 1 73 TRP HZ3 1 75 TYR HE1 2.304 . 2.967 2.945 2.831 3.015 0.048 17 0 "[ . 1 . 2]" 1
1216 1 73 TRP HE3 1 74 GLU HA 2.606 . 8.000 3.785 3.571 4.129 . 0 0 "[ . 1 . 2]" 1
1217 1 74 GLU HA 1 74 GLU HB3 2.208 . 2.818 2.737 2.599 2.946 0.128 5 0 "[ . 1 . 2]" 1
1218 1 74 GLU HA 1 74 GLU HB2 2.326 . 3.003 2.918 2.700 3.005 0.002 8 0 "[ . 1 . 2]" 1
1219 1 74 GLU HA 1 74 GLU HG3 2.404 . 3.126 3.270 2.323 3.687 0.561 14 9 "[-* . * * **+.* * 2]" 1
1220 1 19 THR MG 1 74 GLU HB3 2.182 . 2.777 2.530 2.195 2.866 0.089 8 0 "[ . 1 . 2]" 1
1221 1 20 VAL MG1 1 74 GLU HB3 2.996 . 4.118 3.307 2.886 3.708 . 0 0 "[ . 1 . 2]" 1
1222 1 66 THR MG 1 74 GLU HB3 3.645 . 5.306 3.443 3.016 3.786 . 0 0 "[ . 1 . 2]" 1
1223 1 71 VAL QG 1 74 GLU HB3 2.352 . 8.000 4.310 4.092 4.529 . 0 0 "[ . 1 . 2]" 1
1224 1 74 GLU HB2 1 75 TYR H 2.333 . 8.000 4.131 3.997 4.310 . 0 0 "[ . 1 . 2]" 1
1225 1 66 THR MG 1 74 GLU HG3 2.730 . 3.662 2.606 1.999 3.737 0.075 5 0 "[ . 1 . 2]" 1
1226 1 71 VAL QG 1 74 GLU HG3 2.774 . 3.538 2.563 2.289 2.836 . 0 0 "[ . 1 . 2]" 1
1227 1 74 GLU HB2 1 74 GLU HG3 1.991 . 2.486 2.327 2.229 2.507 0.021 20 0 "[ . 1 . 2]" 1
1228 1 74 GLU HG3 1 75 TYR H 2.701 . 8.000 4.555 3.351 5.110 . 0 0 "[ . 1 . 2]" 1
1229 1 19 THR MG 1 74 GLU H 2.655 . 3.536 3.550 3.466 3.640 0.104 13 0 "[ . 1 . 2]" 1
1230 1 66 THR MG 1 74 GLU H 2.386 . 8.000 3.311 3.087 3.470 . 0 0 "[ . 1 . 2]" 1
1231 1 73 TRP HA 1 74 GLU H 1.721 . 8.000 2.409 2.379 2.443 . 0 0 "[ . 1 . 2]" 1
1232 1 73 TRP HB2 1 74 GLU H 2.400 . 3.120 2.489 2.427 2.594 . 0 0 "[ . 1 . 2]" 1
1233 1 73 TRP HB3 1 74 GLU H 2.762 . 8.000 3.839 3.775 3.914 . 0 0 "[ . 1 . 2]" 1
1234 1 73 TRP HE3 1 74 GLU H 2.560 . 3.379 3.082 3.003 3.172 . 0 0 "[ . 1 . 2]" 1
1235 1 74 GLU H 1 74 GLU HA 2.534 . 3.337 2.912 2.898 2.926 . 0 0 "[ . 1 . 2]" 1
1236 1 74 GLU H 1 74 GLU HB3 2.972 . 4.076 3.598 3.172 3.806 . 0 0 "[ . 1 . 2]" 1
1237 1 74 GLU H 1 74 GLU HB2 3.007 . 4.137 2.777 2.647 2.980 . 0 0 "[ . 1 . 2]" 1
1238 1 63 TRP HA 1 75 TYR HA 2.295 . 2.953 2.267 2.161 2.423 . 0 0 "[ . 1 . 2]" 1
1239 1 64 CYS H 1 75 TYR HA 3.114 . 4.326 3.783 3.699 3.923 . 0 0 "[ . 1 . 2]" 1
1240 1 74 GLU H 1 75 TYR HA 3.338 . 4.731 4.760 4.741 4.789 0.058 9 0 "[ . 1 . 2]" 1
1241 1 75 TYR HA 1 75 TYR HB3 2.286 . 2.939 2.576 2.550 2.611 . 0 0 "[ . 1 . 2]" 1
1242 1 75 TYR HA 1 75 TYR HD1 2.032 . 2.548 2.441 2.274 2.561 0.013 3 0 "[ . 1 . 2]" 1
1243 1 75 TYR QB 1 75 TYR QD 2.009 . 2.514 2.140 2.128 2.154 . 0 0 "[ . 1 . 2]" 1
1244 1 20 VAL MG1 1 75 TYR HB2 2.737 . 3.673 2.907 2.772 3.038 . 0 0 "[ . 1 . 2]" 1
1245 1 60 ARG HE 1 75 TYR QD 2.047 . 8.000 5.601 3.926 6.830 . 0 0 "[ . 1 . 2]" 1
1246 1 63 TRP HB3 1 75 TYR QD 2.658 . 3.541 2.478 2.265 2.697 . 0 0 "[ . 1 . 2]" 1
1247 1 73 TRP HH2 1 75 TYR QD 2.623 . 8.000 4.348 4.065 4.550 . 0 0 "[ . 1 . 2]" 1
1248 1 60 ARG HE 1 75 TYR HD1 1.677 . 8.000 6.314 4.802 7.450 . 0 0 "[ . 1 . 2]" 1
1249 1 63 TRP HA 1 75 TYR HD1 3.069 . 4.246 3.706 3.456 3.923 . 0 0 "[ . 1 . 2]" 1
1250 1 63 TRP HB3 1 75 TYR HD1 2.142 . 2.716 2.481 2.267 2.702 . 0 0 "[ . 1 . 2]" 1
1251 1 63 TRP HB2 1 75 TYR HD1 2.133 . 8.000 3.903 3.670 4.122 . 0 0 "[ . 1 . 2]" 1
1252 1 73 TRP HE3 1 75 TYR HD1 2.329 . 8.000 4.882 4.695 5.038 . 0 0 "[ . 1 . 2]" 1
1253 1 75 TYR H 1 75 TYR HD1 2.393 . 8.000 4.543 4.432 4.663 . 0 0 "[ . 1 . 2]" 1
1254 1 73 TRP HE3 1 75 TYR QE 2.185 . 8.000 4.952 4.811 5.073 . 0 0 "[ . 1 . 2]" 1
1255 1 59 LYS HG2 1 75 TYR HE1 3.097 . 4.296 4.316 4.022 4.376 0.080 10 0 "[ . 1 . 2]" 1
1256 1 61 ALA MB 1 75 TYR HE1 2.050 . 8.000 3.265 2.932 3.760 . 0 0 "[ . 1 . 2]" 1
1257 1 63 TRP HD1 1 75 TYR HE1 2.276 . 8.000 3.930 3.668 4.284 . 0 0 "[ . 1 . 2]" 1
1258 1 73 TRP HE3 1 75 TYR HE1 2.794 . 8.000 5.237 5.082 5.337 . 0 0 "[ . 1 . 2]" 1
1259 1 75 TYR H 1 75 TYR HE1 3.104 . 8.000 6.083 5.958 6.224 . 0 0 "[ . 1 . 2]" 1
1260 1 20 VAL MG1 1 75 TYR H 2.372 . 8.000 3.279 3.156 3.392 . 0 0 "[ . 1 . 2]" 1
1261 1 20 VAL H 1 75 TYR H 3.911 . 5.823 4.502 4.395 4.653 . 0 0 "[ . 1 . 2]" 1
1262 1 74 GLU HA 1 75 TYR H 1.897 . 2.347 2.259 2.231 2.310 . 0 0 "[ . 1 . 2]" 1
1263 1 74 GLU HB3 1 75 TYR H 1.999 . 8.000 2.994 2.707 3.334 . 0 0 "[ . 1 . 2]" 1
1264 1 75 TYR H 1 75 TYR HA 2.596 . 3.438 2.870 2.852 2.894 . 0 0 "[ . 1 . 2]" 1
1265 1 75 TYR H 1 75 TYR HB3 2.416 . 8.000 3.567 3.534 3.583 . 0 0 "[ . 1 . 2]" 1
1266 1 75 TYR H 1 75 TYR HB2 2.018 . 2.527 2.314 2.249 2.348 . 0 0 "[ . 1 . 2]" 1
1267 1 20 VAL H 1 76 CYS HA 2.224 . 2.842 2.246 1.983 2.438 . 0 0 "[ . 1 . 2]" 1
1268 1 76 CYS HA 1 76 CYS HB2 2.714 . 3.635 3.019 3.014 3.023 . 0 0 "[ . 1 . 2]" 1
1269 1 16 VAL MG1 1 76 CYS HB2 1.928 . 8.000 3.857 3.597 4.029 . 0 0 "[ . 1 . 2]" 1
1270 1 20 VAL H 1 76 CYS HB2 2.490 . 8.000 5.028 4.869 5.241 . 0 0 "[ . 1 . 2]" 1
1271 1 53 CYS HB2 1 76 CYS HB2 2.465 . 8.000 3.352 3.216 3.524 . 0 0 "[ . 1 . 2]" 1
1272 1 53 CYS HB3 1 76 CYS HB2 2.775 . 3.737 2.571 2.528 2.638 . 0 0 "[ . 1 . 2]" 1
1273 1 76 CYS HB2 1 78 ILE MD 2.108 . 8.000 2.756 2.576 2.937 . 0 0 "[ . 1 . 2]" 1
1274 1 61 ALA MB 1 76 CYS H 2.726 . 3.655 3.675 3.573 3.707 0.052 14 0 "[ . 1 . 2]" 1
1275 1 63 TRP HA 1 76 CYS H 2.554 . 3.369 3.186 3.042 3.373 0.004 11 0 "[ . 1 . 2]" 1
1276 1 75 TYR HA 1 76 CYS H 2.116 . 2.675 2.419 2.367 2.493 . 0 0 "[ . 1 . 2]" 1
1277 1 75 TYR HB3 1 76 CYS H 2.057 . 2.586 2.327 2.270 2.379 . 0 0 "[ . 1 . 2]" 1
1278 1 75 TYR HB2 1 76 CYS H 2.716 . 3.638 3.674 3.595 3.721 0.083 6 0 "[ . 1 . 2]" 1
1279 1 75 TYR QD 1 76 CYS H 2.184 . 8.000 3.192 3.019 3.344 . 0 0 "[ . 1 . 2]" 1
1280 1 75 TYR HD1 1 76 CYS H 2.980 . 4.090 3.211 3.032 3.370 . 0 0 "[ . 1 . 2]" 1
1281 1 76 CYS H 1 76 CYS HB2 2.462 . 3.220 2.779 2.674 2.866 . 0 0 "[ . 1 . 2]" 1
1282 1 20 VAL MG1 1 77 LYS HA 2.926 . 8.000 5.243 5.063 5.420 . 0 0 "[ . 1 . 2]" 1
1283 1 77 LYS HA 1 77 LYS QB 2.456 . 3.210 2.353 2.318 2.422 . 0 0 "[ . 1 . 2]" 1
1284 1 77 LYS HA 1 77 LYS HD2 1.803 . 8.000 4.446 4.141 4.853 . 0 0 "[ . 1 . 2]" 1
1285 1 77 LYS HA 1 77 LYS HG3 2.461 . 3.218 2.564 2.425 2.909 . 0 0 "[ . 1 . 2]" 1
1286 1 20 VAL MG2 1 77 LYS QB 2.477 . 2.905 1.910 1.582 2.113 0.128 8 0 "[ . 1 . 2]" 1
1287 1 77 LYS QB 1 77 LYS HG3 2.182 . 2.777 2.359 2.182 2.407 . 0 0 "[ . 1 . 2]" 1
1288 1 77 LYS QB 1 77 LYS HD2 1.974 . 2.461 2.450 2.226 3.289 0.828 8 2 "[ - . + 1 . 2]" 1
1289 1 77 LYS HD2 1 77 LYS HG3 2.704 . 3.618 2.660 2.316 3.016 . 0 0 "[ . 1 . 2]" 1
1290 1 77 LYS HD2 1 77 LYS HG2 2.064 . 2.596 2.759 2.415 3.016 0.420 11 0 "[ . 1 . 2]" 1
1291 1 77 LYS HD2 1 77 LYS HE2 2.398 . 3.117 2.605 2.380 3.015 . 0 0 "[ . 1 . 2]" 1
1292 1 77 LYS HG3 1 78 ILE MD 2.319 . 8.000 5.812 5.591 6.415 . 0 0 "[ . 1 . 2]" 1
1293 1 77 LYS HG2 1 79 PRO HG2 2.607 . 8.000 6.932 6.558 7.280 . 0 0 "[ . 1 . 2]" 1
1294 1 20 VAL MG1 1 77 LYS H 2.944 . 4.027 4.087 4.032 4.159 0.132 11 0 "[ . 1 . 2]" 1
1295 1 20 VAL H 1 77 LYS H 2.478 . 8.000 3.754 3.463 4.000 . 0 0 "[ . 1 . 2]" 1
1296 1 76 CYS HA 1 77 LYS H 2.114 . 2.673 2.205 2.165 2.242 . 0 0 "[ . 1 . 2]" 1
1297 1 76 CYS HB2 1 77 LYS H 2.081 . 8.000 3.954 3.864 4.026 . 0 0 "[ . 1 . 2]" 1
1298 1 76 CYS H 1 77 LYS H 2.850 . 8.000 4.369 4.316 4.422 . 0 0 "[ . 1 . 2]" 1
1299 1 77 LYS H 1 77 LYS HA 2.283 . 2.934 2.906 2.882 2.921 . 0 0 "[ . 1 . 2]" 1
1300 1 77 LYS H 1 77 LYS QB 1.967 . 2.941 2.333 2.255 2.398 . 0 0 "[ . 1 . 2]" 1
1301 1 62 PRO HG3 1 78 ILE HA 2.533 . 8.000 7.034 6.635 7.303 . 0 0 "[ . 1 . 2]" 1
1302 1 77 LYS HG3 1 78 ILE HA 2.650 . 8.000 5.394 5.048 6.152 . 0 0 "[ . 1 . 2]" 1
1303 1 78 ILE HA 1 78 ILE MD 2.234 . 2.858 2.180 2.108 2.254 . 0 0 "[ . 1 . 2]" 1
1304 1 78 ILE HA 1 78 ILE HG12 2.514 . 3.304 3.356 3.297 3.386 0.082 16 0 "[ . 1 . 2]" 1
1305 1 78 ILE HA 1 78 ILE MG 2.153 . 2.733 2.325 2.281 2.369 . 0 0 "[ . 1 . 2]" 1
1306 1 78 ILE HA 1 79 PRO HD2 2.316 . 2.987 2.929 2.868 2.972 . 0 0 "[ . 1 . 2]" 1
1307 1 12 TYR HE2 1 78 ILE HB 2.997 . 8.000 4.517 4.331 4.707 . 0 0 "[ . 1 . 2]" 1
1308 1 78 ILE HB 1 78 ILE MD 2.250 . 8.000 3.237 3.223 3.258 . 0 0 "[ . 1 . 2]" 1
1309 1 78 ILE HB 1 78 ILE HG12 2.082 . 2.624 2.381 2.340 2.420 . 0 0 "[ . 1 . 2]" 1
1310 1 78 ILE HB 1 79 PRO HD2 2.700 . 8.000 4.022 3.930 4.170 . 0 0 "[ . 1 . 2]" 1
1311 1 3 GLN HE22 1 78 ILE MD 2.533 . 8.000 6.844 6.406 7.294 . 0 0 "[ . 1 . 2]" 1
1312 1 12 TYR QD 1 78 ILE MD 2.533 . 8.000 4.207 3.547 4.457 . 0 0 "[ . 1 . 2]" 1
1313 1 12 TYR HD2 1 78 ILE MD 3.212 . 4.501 4.310 3.575 4.603 0.102 8 0 "[ . 1 . 2]" 1
1314 1 16 VAL MG2 1 78 ILE MD 2.373 . 3.077 2.130 2.041 2.202 . 0 0 "[ . 1 . 2]" 1
1315 1 16 VAL MG1 1 78 ILE MD 2.359 . 3.054 2.617 2.436 2.838 . 0 0 "[ . 1 . 2]" 1
1316 1 16 VAL H 1 78 ILE MD 2.552 . 3.366 3.427 3.257 3.601 0.235 12 0 "[ . 1 . 2]" 1
1317 1 53 CYS HB3 1 78 ILE MD 2.742 . 3.682 3.411 3.087 3.694 0.012 14 0 "[ . 1 . 2]" 1
1318 1 62 PRO HB3 1 78 ILE MD 2.865 . 3.891 3.914 3.802 4.016 0.125 6 0 "[ . 1 . 2]" 1
1319 1 77 LYS QB 1 78 ILE MD 2.920 . 8.000 4.561 4.453 4.680 . 0 0 "[ . 1 . 2]" 1
1320 1 77 LYS H 1 78 ILE MD 2.794 . 3.770 3.875 3.842 3.919 0.149 17 0 "[ . 1 . 2]" 1
1321 1 78 ILE H 1 78 ILE MD 2.503 . 3.286 2.919 2.763 3.132 . 0 0 "[ . 1 . 2]" 1
1322 1 5 LEU QD 1 78 ILE HG13 2.257 . 2.894 2.395 2.217 2.532 . 0 0 "[ . 1 . 2]" 1
1323 1 12 TYR HE2 1 78 ILE HG13 2.154 . 2.734 2.830 2.773 2.881 0.147 8 0 "[ . 1 . 2]" 1
1324 1 78 ILE HB 1 78 ILE HG13 2.101 . 2.653 2.523 2.480 2.571 . 0 0 "[ . 1 . 2]" 1
1325 1 78 ILE MD 1 78 ILE HG13 2.153 . 2.732 2.115 2.111 2.121 . 0 0 "[ . 1 . 2]" 1
1326 1 78 ILE HG13 1 78 ILE MG 2.296 . 2.955 2.214 2.166 2.260 . 0 0 "[ . 1 . 2]" 1
1327 1 78 ILE MD 1 78 ILE HG12 2.083 . 2.625 2.113 2.111 2.115 . 0 0 "[ . 1 . 2]" 1
1328 1 5 LEU HB2 1 78 ILE MG 2.265 . 2.906 2.124 1.795 2.340 . 0 0 "[ . 1 . 2]" 1
1329 1 10 GLU H 1 78 ILE MG 2.870 . 8.000 7.650 7.331 8.050 0.050 18 0 "[ . 1 . 2]" 1
1330 1 12 TYR HE2 1 78 ILE MG 2.393 . 3.109 2.254 2.001 2.650 . 0 0 "[ . 1 . 2]" 1
1331 1 78 ILE HB 1 78 ILE MG 1.895 . 2.344 2.118 2.109 2.124 . 0 0 "[ . 1 . 2]" 1
1332 1 78 ILE MD 1 78 ILE MG 1.855 . 2.285 2.158 2.083 2.261 . 0 0 "[ . 1 . 2]" 1
1333 1 78 ILE HG12 1 78 ILE MG 2.632 . 3.498 3.175 3.154 3.189 . 0 0 "[ . 1 . 2]" 1
1334 1 78 ILE MG 1 79 PRO HD2 2.420 . 3.152 1.862 1.779 1.974 . 0 0 "[ . 1 . 2]" 1
1335 1 78 ILE MG 1 79 PRO HG3 2.647 . 8.000 4.233 4.179 4.314 . 0 0 "[ . 1 . 2]" 1
1336 1 78 ILE MG 1 80 SER H 2.286 . 8.000 4.982 4.874 5.070 . 0 0 "[ . 1 . 2]" 1
1337 1 16 VAL MG1 1 78 ILE H 3.162 . 8.000 5.409 5.106 5.715 . 0 0 "[ . 1 . 2]" 1
1338 1 77 LYS HA 1 78 ILE H 1.717 . 8.000 2.251 2.180 2.304 . 0 0 "[ . 1 . 2]" 1
1339 1 77 LYS H 1 78 ILE H 2.951 . 4.039 3.970 3.885 4.036 . 0 0 "[ . 1 . 2]" 1
1340 1 78 ILE H 1 78 ILE HB 2.185 . 2.782 2.614 2.562 2.680 . 0 0 "[ . 1 . 2]" 1
1341 1 78 ILE H 1 78 ILE HG13 2.255 . 8.000 3.735 3.639 3.869 . 0 0 "[ . 1 . 2]" 1
1342 1 78 ILE H 1 78 ILE HG12 2.473 . 3.238 2.223 2.100 2.402 . 0 0 "[ . 1 . 2]" 1
1343 1 5 LEU H 1 79 PRO HA 2.832 . 8.000 4.511 4.428 4.623 . 0 0 "[ . 1 . 2]" 1
1344 1 79 PRO HA 1 79 PRO HB3 2.997 . 4.120 2.297 2.290 2.308 . 0 0 "[ . 1 . 2]" 1
1345 1 77 LYS HG2 1 79 PRO HB2 2.413 . 8.000 7.150 6.908 7.469 . 0 0 "[ . 1 . 2]" 1
1346 1 78 ILE MG 1 79 PRO HB2 2.961 . 4.057 3.706 3.577 3.880 . 0 0 "[ . 1 . 2]" 1
1347 1 79 PRO HB2 1 79 PRO HG3 2.365 . 3.064 2.997 2.992 3.004 . 0 0 "[ . 1 . 2]" 1
1348 1 5 LEU H 1 79 PRO HD2 2.767 . 3.724 3.813 3.746 3.848 0.124 20 0 "[ . 1 . 2]" 1
1349 1 79 PRO HB2 1 79 PRO HD2 2.187 . 2.785 2.840 2.818 2.855 0.070 12 0 "[ . 1 . 2]" 1
1350 1 79 PRO HD2 1 79 PRO HG3 2.458 . 3.213 3.001 2.997 3.007 . 0 0 "[ . 1 . 2]" 1
1351 1 79 PRO HD2 1 79 PRO HG2 2.138 . 2.709 2.330 2.320 2.338 . 0 0 "[ . 1 . 2]" 1
1352 1 5 LEU H 1 79 PRO HD3 2.735 . 8.000 5.271 5.181 5.314 . 0 0 "[ . 1 . 2]" 1
1353 1 78 ILE MD 1 79 PRO HD3 2.864 . 3.889 3.505 3.353 3.637 . 0 0 "[ . 1 . 2]" 1
1354 1 78 ILE MG 1 79 PRO HD3 2.046 . 2.569 2.611 2.578 2.643 0.074 6 0 "[ . 1 . 2]" 1
1355 1 79 PRO HD3 1 79 PRO HG3 1.879 . 2.320 2.338 2.333 2.342 0.022 8 0 "[ . 1 . 2]" 1
1356 1 79 PRO HD3 1 79 PRO HG2 2.258 . 2.895 2.667 2.654 2.675 . 0 0 "[ . 1 . 2]" 1
1357 1 4 CYS QB 1 80 SER HA 2.042 . 2.563 2.373 1.820 2.669 0.106 13 0 "[ . 1 . 2]" 1
1358 1 80 SER HA 1 80 SER HB2 2.455 . 3.208 3.028 3.021 3.034 . 0 0 "[ . 1 . 2]" 1
1359 1 80 SER HA 1 80 SER HB3 2.468 . 3.229 2.487 2.409 2.555 . 0 0 "[ . 1 . 2]" 1
1360 1 80 SER H 1 80 SER HB2 2.437 . 3.180 2.941 2.799 3.052 . 0 0 "[ . 1 . 2]" 1
1361 1 80 SER HB3 1 82 ASP H 2.207 . 2.816 2.497 2.180 2.923 0.107 6 0 "[ . 1 . 2]" 1
1362 1 4 CYS QB 1 80 SER H 2.756 . 3.518 3.060 2.884 3.232 . 0 0 "[ . 1 . 2]" 1
1363 1 5 LEU HB3 1 80 SER H 2.797 . 8.000 5.070 4.689 5.320 . 0 0 "[ . 1 . 2]" 1
1364 1 5 LEU H 1 80 SER H 2.686 . 3.588 3.738 3.564 3.867 0.279 10 0 "[ . 1 . 2]" 1
1365 1 79 PRO HA 1 80 SER H 2.361 . 3.058 2.737 2.658 2.869 . 0 0 "[ . 1 . 2]" 1
1366 1 79 PRO HG2 1 80 SER H 3.258 . 4.585 4.673 4.591 4.756 0.171 12 0 "[ . 1 . 2]" 1
1367 1 79 PRO HB2 1 81 CYS HA 2.300 . 8.000 5.934 5.699 6.229 . 0 0 "[ . 1 . 2]" 1
1368 1 81 CYS HA 1 81 CYS HB3 2.303 . 2.966 2.444 2.330 2.646 . 0 0 "[ . 1 . 2]" 1
1369 1 81 CYS HA 1 81 CYS HB2 2.651 . 3.530 3.019 2.991 3.035 . 0 0 "[ . 1 . 2]" 1
1370 1 81 CYS H 1 81 CYS HB3 3.017 . 4.155 3.595 3.544 3.646 . 0 0 "[ . 1 . 2]" 1
1371 1 4 CYS QB 1 81 CYS H 2.839 . 3.455 2.223 1.866 2.468 . 0 0 "[ . 1 . 2]" 1
1372 1 80 SER HA 1 81 CYS H 1.930 . 2.396 2.137 2.101 2.183 . 0 0 "[ . 1 . 2]" 1
1373 1 80 SER HB2 1 81 CYS H 2.358 . 8.000 4.197 3.991 4.410 . 0 0 "[ . 1 . 2]" 1
1374 1 80 SER H 1 81 CYS H 3.103 . 4.307 4.127 3.798 4.275 . 0 0 "[ . 1 . 2]" 1
1375 1 81 CYS H 1 81 CYS HB2 2.425 . 3.160 2.561 2.284 2.809 . 0 0 "[ . 1 . 2]" 1
1376 1 81 CYS H 1 82 ASP H 2.977 . 4.085 2.306 2.151 2.487 . 0 0 "[ . 1 . 2]" 1
1377 1 82 ASP HA 1 82 ASP HB3 2.549 . 3.361 2.624 2.367 3.038 . 0 0 "[ . 1 . 2]" 1
1378 1 82 ASP H 1 82 ASP HB3 2.713 . 3.633 3.148 2.441 3.632 . 0 0 "[ . 1 . 2]" 1
1379 1 4 CYS QB 1 82 ASP H 4.144 . 6.291 4.207 3.884 4.482 . 0 0 "[ . 1 . 2]" 1
1380 1 81 CYS HA 1 82 ASP H 2.562 . 3.382 3.354 3.194 3.504 0.122 6 0 "[ . 1 . 2]" 1
1381 1 81 CYS HB3 1 82 ASP H 2.789 . 8.000 4.139 3.814 4.286 . 0 0 "[ . 1 . 2]" 1
1382 1 82 ASP H 1 82 ASP HA 2.480 . 3.248 2.859 2.782 2.921 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 CYS SG 1 64 CYS SG 2.000 . 2.100 2.029 2.025 2.031 . 0 0 "[ . 1 . 2]" 2
2 1 53 CYS SG 1 76 CYS SG 2.000 . 2.100 2.026 2.023 2.030 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 85.248
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0592
_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 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 1.017 0.084 11 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.603 0.080 8 0 "[ . 1 . 2]"
1 11 ASN 0.415 0.084 11 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 1.923 0.158 16 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 CYS 1.923 0.158 16 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 HIS 0.057 0.040 6 0 "[ . 1 . 2]"
1 28 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.057 0.040 6 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.007 0.007 18 0 "[ . 1 . 2]"
1 46 LYS 0.007 0.007 18 0 "[ . 1 . 2]"
1 49 ASP 0.002 0.002 15 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 TYR 0.002 0.002 15 0 "[ . 1 . 2]"
1 53 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 CYS 1.256 0.096 13 0 "[ . 1 . 2]"
1 78 ILE 1.256 0.096 13 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LEU N 1 79 PRO O 2.900 2.400 3.500 2.736 2.625 3.231 . 0 0 "[ . 1 . 2]" 3
2 1 19 THR H 1 23 HIS O 1.900 . 2.400 2.104 1.997 2.196 . 0 0 "[ . 1 . 2]" 3
3 1 19 THR N 1 23 HIS O 2.900 2.400 3.500 3.057 2.966 3.136 . 0 0 "[ . 1 . 2]" 3
4 1 20 VAL H 1 75 TYR O 1.900 . 2.400 1.744 1.679 1.821 . 0 0 "[ . 1 . 2]" 3
5 1 20 VAL N 1 75 TYR O 2.900 2.400 3.500 2.701 2.646 2.773 . 0 0 "[ . 1 . 2]" 3
6 1 17 ALA O 1 25 CYS H 1.900 . 2.400 2.496 2.422 2.558 0.158 16 0 "[ . 1 . 2]" 3
7 1 17 ALA O 1 25 CYS N 2.900 2.400 3.500 3.330 3.250 3.393 . 0 0 "[ . 1 . 2]" 3
8 1 26 GLN H 1 65 HIS O 1.900 . 2.400 1.680 1.634 1.717 . 0 0 "[ . 1 . 2]" 3
9 1 26 GLN N 1 65 HIS O 2.900 2.400 3.500 2.587 2.561 2.634 . 0 0 "[ . 1 . 2]" 3
10 1 28 TRP H 1 50 GLU O 1.900 . 2.400 1.907 1.802 2.075 . 0 0 "[ . 1 . 2]" 3
11 1 28 TRP N 1 50 GLU O 2.900 2.400 3.500 2.814 2.725 2.965 . 0 0 "[ . 1 . 2]" 3
12 1 39 THR O 1 42 ASN H 1.900 . 2.400 1.835 1.752 1.897 . 0 0 "[ . 1 . 2]" 3
13 1 39 THR O 1 42 ASN N 2.900 2.400 3.500 2.702 2.648 2.743 . 0 0 "[ . 1 . 2]" 3
14 1 39 THR O 1 43 PHE H 1.900 . 2.400 1.838 1.747 2.027 . 0 0 "[ . 1 . 2]" 3
15 1 39 THR O 1 43 PHE N 2.900 2.400 3.500 2.745 2.683 2.826 . 0 0 "[ . 1 . 2]" 3
16 1 43 PHE O 1 46 LYS H 1.900 . 2.400 2.220 2.087 2.407 0.007 18 0 "[ . 1 . 2]" 3
17 1 43 PHE O 1 46 LYS N 2.900 2.400 3.500 3.115 2.985 3.286 . 0 0 "[ . 1 . 2]" 3
18 1 16 VAL O 1 53 CYS H 1.900 . 2.400 1.799 1.739 1.855 . 0 0 "[ . 1 . 2]" 3
19 1 16 VAL O 1 53 CYS N 2.900 2.400 3.500 2.781 2.726 2.837 . 0 0 "[ . 1 . 2]" 3
20 1 54 ARG O 1 63 TRP H 1.900 . 2.400 1.831 1.756 1.915 . 0 0 "[ . 1 . 2]" 3
21 1 54 ARG O 1 63 TRP N 2.900 2.400 3.500 2.810 2.736 2.889 . 0 0 "[ . 1 . 2]" 3
22 1 64 CYS H 1 74 GLU O 1.900 . 2.400 1.910 1.818 2.012 . 0 0 "[ . 1 . 2]" 3
23 1 64 CYS N 1 74 GLU O 2.900 2.400 3.500 2.859 2.768 2.957 . 0 0 "[ . 1 . 2]" 3
24 1 66 THR H 1 72 ARG O 1.900 . 2.400 1.995 1.819 2.265 . 0 0 "[ . 1 . 2]" 3
25 1 66 THR N 1 72 ARG O 2.900 2.400 3.500 2.961 2.767 3.232 . 0 0 "[ . 1 . 2]" 3
26 1 24 THR O 1 67 THR H 1.900 . 2.400 1.978 1.891 2.071 . 0 0 "[ . 1 . 2]" 3
27 1 24 THR O 1 67 THR N 2.900 2.400 3.500 2.891 2.820 2.965 . 0 0 "[ . 1 . 2]" 3
28 1 62 PRO O 1 76 CYS H 1.900 . 2.400 1.962 1.862 2.062 . 0 0 "[ . 1 . 2]" 3
29 1 62 PRO O 1 76 CYS N 2.900 2.400 3.500 2.802 2.728 2.870 . 0 0 "[ . 1 . 2]" 3
30 1 6 LYS O 1 9 GLY H 1.900 . 2.400 2.422 2.230 2.480 0.080 8 0 "[ . 1 . 2]" 3
31 1 6 LYS O 1 9 GLY N 2.900 2.400 3.500 3.369 3.190 3.439 . 0 0 "[ . 1 . 2]" 3
32 1 27 HIS O 1 30 ALA H 1.900 . 2.400 2.294 2.190 2.440 0.040 6 0 "[ . 1 . 2]" 3
33 1 27 HIS O 1 30 ALA N 2.900 2.400 3.500 3.136 3.031 3.290 . 0 0 "[ . 1 . 2]" 3
34 1 49 ASP O 1 52 TYR H 1.900 . 2.400 2.177 1.992 2.402 0.002 15 0 "[ . 1 . 2]" 3
35 1 49 ASP O 1 52 TYR N 2.900 2.400 3.500 3.079 2.935 3.223 . 0 0 "[ . 1 . 2]" 3
36 1 64 CYS O 1 74 GLU H 1.900 . 2.400 1.882 1.773 1.970 . 0 0 "[ . 1 . 2]" 3
37 1 64 CYS O 1 74 GLU N 2.900 2.400 3.500 2.822 2.715 2.899 . 0 0 "[ . 1 . 2]" 3
38 1 76 CYS O 1 78 ILE H 1.900 . 2.400 2.463 2.419 2.496 0.096 13 0 "[ . 1 . 2]" 3
39 1 76 CYS O 1 78 ILE N 2.900 2.400 3.500 3.158 3.115 3.191 . 0 0 "[ . 1 . 2]" 3
40 1 6 LYS NZ 1 11 ASN OD1 2.900 2.400 3.500 3.287 2.710 3.584 0.084 11 0 "[ . 1 . 2]" 3
41 1 28 TRP HE1 1 52 TYR O 1.900 . 2.400 1.783 1.694 1.851 . 0 0 "[ . 1 . 2]" 3
42 1 28 TRP NE1 1 52 TYR O 2.900 2.400 3.500 2.682 2.620 2.727 . 0 0 "[ . 1 . 2]" 3
43 1 26 GLN OE1 1 34 HIS H 1.900 . 2.400 1.827 1.676 1.968 . 0 0 "[ . 1 . 2]" 3
44 1 26 GLN OE1 1 34 HIS N 2.900 2.400 3.500 2.713 2.595 2.816 . 0 0 "[ . 1 . 2]" 3
45 1 8 THR O 1 55 ASN ND2 2.900 2.400 3.500 2.859 2.735 3.019 . 0 0 "[ . 1 . 2]" 3
46 1 4 CYS SG 1 81 CYS SG 2.000 . 2.100 2.032 2.027 2.037 . 0 0 "[ . 1 . 2]" 3
stop_
save_