NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556537 |
2m1s   |
15660 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m1s
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 476
_Distance_constraint_stats_list.Viol_count 341
_Distance_constraint_stats_list.Viol_total 378.547
_Distance_constraint_stats_list.Viol_max 1.629
_Distance_constraint_stats_list.Viol_rms 0.0466
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.1110
_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 23 ALA 0.016 0.009 1 0 "[ . 1]"
1 25 HIS 0.734 0.146 2 0 "[ . 1]"
1 26 LEU 0.890 0.166 7 0 "[ . 1]"
1 27 GLY 0.904 0.146 2 0 "[ . 1]"
1 28 PRO 0.338 0.120 3 0 "[ . 1]"
1 29 GLN 0.774 0.139 9 0 "[ . 1]"
1 30 PHE 0.702 0.120 3 0 "[ . 1]"
1 31 CYS 1.031 0.156 6 0 "[ . 1]"
1 32 LYS 0.334 0.104 7 0 "[ . 1]"
1 33 SER 0.509 0.141 9 0 "[ . 1]"
1 34 CYS 0.009 0.009 5 0 "[ . 1]"
1 35 TRP 0.462 0.192 10 0 "[ . 1]"
1 36 PHE 0.358 0.103 10 0 "[ . 1]"
1 37 GLU 0.998 0.215 10 0 "[ . 1]"
1 38 ASN 0.351 0.103 6 0 "[ . 1]"
1 39 LYS 0.450 0.192 10 0 "[ . 1]"
1 40 GLY 0.540 0.215 10 0 "[ . 1]"
1 41 LEU 0.906 0.208 8 0 "[ . 1]"
1 42 VAL 0.884 0.157 4 0 "[ . 1]"
1 43 GLU 2.228 0.225 8 0 "[ . 1]"
1 44 CYS 0.000 0.000 . 0 "[ . 1]"
1 45 ASN 0.000 0.000 . 0 "[ . 1]"
1 46 ASN 1.299 0.225 8 0 "[ . 1]"
1 47 HIS 0.654 0.453 5 0 "[ . 1]"
1 48 TYR 4.237 1.629 5 2 "[ + - 1]"
1 49 LEU 1.349 0.398 6 0 "[ . 1]"
1 50 CYS 2.114 0.274 9 0 "[ . 1]"
1 51 LEU 5.131 0.501 1 1 "[+ . 1]"
1 52 ASN 1.211 0.501 1 1 "[+ . 1]"
1 53 CYS 4.270 0.328 4 0 "[ . 1]"
1 54 LEU 4.942 0.398 6 0 "[ . 1]"
1 55 THR 3.516 0.319 2 0 "[ . 1]"
1 56 LEU 0.349 0.115 3 0 "[ . 1]"
1 57 LEU 0.623 0.118 10 0 "[ . 1]"
1 58 LEU 6.326 0.424 4 0 "[ . 1]"
1 59 SER 1.157 0.173 7 0 "[ . 1]"
1 60 VAL 4.120 0.361 7 0 "[ . 1]"
1 61 SER 6.845 0.424 4 0 "[ . 1]"
1 62 ASN 0.345 0.067 6 0 "[ . 1]"
1 63 ARG 3.779 0.287 3 0 "[ . 1]"
1 64 CYS 0.676 0.129 5 0 "[ . 1]"
1 65 PRO 0.000 0.000 . 0 "[ . 1]"
1 66 ILE 5.911 1.629 5 2 "[ + - 1]"
1 67 CYS 0.203 0.106 8 0 "[ . 1]"
1 68 LYS 0.512 0.129 5 0 "[ . 1]"
1 69 MET 1.684 0.232 9 0 "[ . 1]"
1 70 PRO 0.000 0.000 . 0 "[ . 1]"
1 71 LEU 0.867 0.089 8 0 "[ . 1]"
1 72 PRO 0.170 0.060 9 0 "[ . 1]"
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 23 ALA MB 1 25 HIS HE1 2.000 . 6.000 4.592 3.065 6.009 0.009 1 0 "[ . 1]" 1
2 1 25 HIS HA 1 26 LEU H 2.000 . 4.300 2.779 2.199 3.577 . 0 0 "[ . 1]" 1
3 1 25 HIS HA 1 27 GLY H 2.000 . 5.300 5.244 4.441 5.446 0.146 2 0 "[ . 1]" 1
4 1 25 HIS HA 1 46 ASN HA 2.000 . 6.000 5.394 4.555 6.072 0.072 9 0 "[ . 1]" 1
5 1 25 HIS QB 1 26 LEU H 2.000 . 6.300 3.092 2.469 3.992 . 0 0 "[ . 1]" 1
6 1 25 HIS QB 1 26 LEU MD2 2.000 . 7.000 5.013 4.318 6.284 . 0 0 "[ . 1]" 1
7 1 25 HIS HD2 1 26 LEU MD1 2.000 . 6.000 4.622 2.428 6.078 0.078 2 0 "[ . 1]" 1
8 1 26 LEU HA 1 27 GLY H 2.000 . 5.300 3.064 2.253 3.596 . 0 0 "[ . 1]" 1
9 1 26 LEU HA 1 46 ASN HA 2.000 . 5.000 4.315 2.758 4.757 . 0 0 "[ . 1]" 1
10 1 26 LEU HA 1 46 ASN QB 2.000 . 6.000 5.829 4.657 6.166 0.166 7 0 "[ . 1]" 1
11 1 26 LEU HA 1 48 TYR QD 2.000 . 7.000 5.319 3.841 6.003 . 0 0 "[ . 1]" 1
12 1 26 LEU HA 1 48 TYR QE 2.000 . 7.000 3.577 2.196 5.074 . 0 0 "[ . 1]" 1
13 1 26 LEU QB 1 46 ASN HA 2.000 . 6.000 4.934 2.709 5.767 . 0 0 "[ . 1]" 1
14 1 26 LEU MD1 1 43 GLU HA 2.000 . 6.000 5.437 3.861 6.025 0.025 3 0 "[ . 1]" 1
15 1 26 LEU MD1 1 43 GLU QB 2.000 . 7.000 3.735 2.456 4.692 . 0 0 "[ . 1]" 1
16 1 26 LEU MD1 1 43 GLU QG 2.000 . 7.000 4.400 3.337 6.048 . 0 0 "[ . 1]" 1
17 1 26 LEU MD1 1 46 ASN HA 2.000 . 6.000 4.225 2.304 5.534 . 0 0 "[ . 1]" 1
18 1 26 LEU MD1 1 47 HIS H 2.000 . 6.300 4.965 3.516 6.326 0.026 2 0 "[ . 1]" 1
19 1 26 LEU MD1 1 48 TYR QE 2.000 . 8.000 3.748 1.899 5.267 0.001 1 0 "[ . 1]" 1
20 1 26 LEU MD2 1 27 GLY H 2.000 . 6.300 3.987 3.520 4.487 . 0 0 "[ . 1]" 1
21 1 26 LEU MD2 1 43 GLU HA 2.000 . 6.000 4.327 2.882 5.847 . 0 0 "[ . 1]" 1
22 1 26 LEU MD2 1 43 GLU QG 2.000 . 7.000 3.419 2.023 4.924 . 0 0 "[ . 1]" 1
23 1 26 LEU MD2 1 44 CYS H 2.000 . 6.300 4.479 2.635 5.933 . 0 0 "[ . 1]" 1
24 1 26 LEU MD2 1 46 ASN HA 2.000 . 6.000 3.063 1.980 4.623 . 0 0 "[ . 1]" 1
25 1 26 LEU MD2 1 46 ASN QB 2.000 . 7.000 4.656 3.522 6.042 . 0 0 "[ . 1]" 1
26 1 26 LEU MD2 1 47 HIS H 2.000 . 6.300 3.505 1.919 4.421 . 0 0 "[ . 1]" 1
27 1 26 LEU MD2 1 47 HIS HA 2.000 . 6.000 4.803 2.849 6.132 0.132 1 0 "[ . 1]" 1
28 1 26 LEU MD2 1 48 TYR QD 2.000 . 8.000 3.777 2.300 5.182 . 0 0 "[ . 1]" 1
29 1 26 LEU MD2 1 48 TYR QE 2.000 . 9.000 2.859 2.091 4.541 . 0 0 "[ . 1]" 1
30 1 26 LEU HG 1 27 GLY H 2.000 . 5.300 4.544 3.450 5.304 0.004 2 0 "[ . 1]" 1
31 1 26 LEU HG 1 48 TYR QD 2.000 . 7.000 5.901 3.392 6.956 . 0 0 "[ . 1]" 1
32 1 26 LEU HG 1 48 TYR QE 2.000 . 7.000 4.280 1.993 5.123 . 0 0 "[ . 1]" 1
33 1 27 GLY H 1 28 PRO HA 2.000 . 5.800 5.264 4.795 5.734 . 0 0 "[ . 1]" 1
34 1 27 GLY H 1 28 PRO QD 2.000 . 5.300 3.363 2.064 4.332 . 0 0 "[ . 1]" 1
35 1 27 GLY QA 1 43 GLU QG 2.000 . 7.000 6.618 4.437 7.120 0.120 1 0 "[ . 1]" 1
36 1 28 PRO HA 1 29 GLN H 2.000 . 5.300 2.315 2.243 2.450 . 0 0 "[ . 1]" 1
37 1 28 PRO HA 1 30 PHE H 2.000 . 5.300 5.031 4.375 5.420 0.120 3 0 "[ . 1]" 1
38 1 28 PRO QB 1 29 GLN H 2.000 . 6.300 2.978 2.673 3.197 . 0 0 "[ . 1]" 1
39 1 29 GLN H 1 30 PHE H 2.000 . 5.600 3.465 2.765 3.859 . 0 0 "[ . 1]" 1
40 1 29 GLN H 1 30 PHE QD 2.000 . 7.300 3.175 2.146 5.776 . 0 0 "[ . 1]" 1
41 1 29 GLN H 1 48 TYR QD 2.000 . 7.300 5.378 3.119 6.118 . 0 0 "[ . 1]" 1
42 1 29 GLN HA 1 30 PHE H 2.000 . 4.300 2.558 2.246 3.553 . 0 0 "[ . 1]" 1
43 1 29 GLN HA 1 41 LEU MD2 2.000 . 6.000 2.801 1.930 3.630 . 0 0 "[ . 1]" 1
44 1 29 GLN HA 1 48 TYR QD 2.000 . 7.000 3.576 2.797 5.732 . 0 0 "[ . 1]" 1
45 1 29 GLN HA 1 48 TYR QE 2.000 . 7.000 3.846 2.854 5.765 . 0 0 "[ . 1]" 1
46 1 29 GLN QB 1 30 PHE H 2.000 . 6.300 3.689 1.930 3.993 . 0 0 "[ . 1]" 1
47 1 29 GLN QB 1 31 CYS H 2.000 . 6.300 5.949 5.103 6.439 0.139 9 0 "[ . 1]" 1
48 1 29 GLN QB 1 48 TYR QD 2.000 . 8.000 4.207 2.307 6.258 . 0 0 "[ . 1]" 1
49 1 29 GLN QB 1 48 TYR QE 2.000 . 8.000 4.226 2.478 6.473 . 0 0 "[ . 1]" 1
50 1 29 GLN QG 1 30 PHE H 2.000 . 5.300 4.026 2.503 4.318 . 0 0 "[ . 1]" 1
51 1 29 GLN QG 1 31 CYS H 2.000 . 6.300 5.926 5.237 6.426 0.126 7 0 "[ . 1]" 1
52 1 29 GLN QG 1 43 GLU H 2.000 . 6.300 5.735 4.635 6.414 0.114 5 0 "[ . 1]" 1
53 1 29 GLN QG 1 48 TYR QD 2.000 . 9.000 3.832 2.011 5.807 . 0 0 "[ . 1]" 1
54 1 29 GLN QG 1 48 TYR QE 2.000 . 8.000 3.999 2.132 6.519 . 0 0 "[ . 1]" 1
55 1 30 PHE H 1 31 CYS H 2.000 . 5.600 4.325 3.983 4.485 . 0 0 "[ . 1]" 1
56 1 30 PHE H 1 38 ASN QD 2.000 . 6.600 5.559 4.160 6.626 0.026 2 0 "[ . 1]" 1
57 1 30 PHE H 1 41 LEU MD1 2.000 . 7.300 4.150 3.235 5.173 . 0 0 "[ . 1]" 1
58 1 30 PHE H 1 41 LEU MD2 2.000 . 6.300 3.178 2.355 4.280 . 0 0 "[ . 1]" 1
59 1 30 PHE H 1 48 TYR QB 2.000 . 6.300 3.511 3.079 4.251 . 0 0 "[ . 1]" 1
60 1 30 PHE H 1 48 TYR QD 2.000 . 7.300 3.838 3.172 4.144 . 0 0 "[ . 1]" 1
61 1 30 PHE H 1 48 TYR QE 2.000 . 7.300 4.629 4.097 5.086 . 0 0 "[ . 1]" 1
62 1 30 PHE HA 1 31 CYS H 2.000 . 5.300 2.263 2.239 2.287 . 0 0 "[ . 1]" 1
63 1 30 PHE HA 1 32 LYS H 2.000 . 6.300 5.795 5.591 5.898 . 0 0 "[ . 1]" 1
64 1 30 PHE QB 1 31 CYS H 2.000 . 6.300 3.333 3.167 4.009 . 0 0 "[ . 1]" 1
65 1 30 PHE QD 1 31 CYS H 2.000 . 7.300 4.065 3.841 4.299 . 0 0 "[ . 1]" 1
66 1 30 PHE QD 1 37 GLU QB 2.000 . 8.000 6.088 5.705 7.005 . 0 0 "[ . 1]" 1
67 1 30 PHE QE 1 37 GLU QB 2.000 . 7.000 6.998 6.675 7.073 0.073 2 0 "[ . 1]" 1
68 1 30 PHE QE 1 41 LEU MD2 2.000 . 7.000 5.488 4.860 6.733 . 0 0 "[ . 1]" 1
69 1 31 CYS H 1 32 LYS H 2.000 . 5.600 4.467 4.401 4.513 . 0 0 "[ . 1]" 1
70 1 31 CYS H 1 36 PHE HA 2.000 . 4.300 3.856 3.252 4.377 0.077 7 0 "[ . 1]" 1
71 1 31 CYS H 1 37 GLU H 2.000 . 5.600 3.604 2.524 5.701 0.101 10 0 "[ . 1]" 1
72 1 31 CYS H 1 38 ASN QB 2.000 . 7.300 5.599 4.087 6.445 . 0 0 "[ . 1]" 1
73 1 31 CYS H 1 38 ASN QD 2.000 . 7.600 5.061 3.713 6.284 . 0 0 "[ . 1]" 1
74 1 31 CYS H 1 41 LEU HA 2.000 . 6.300 5.455 4.930 6.175 . 0 0 "[ . 1]" 1
75 1 31 CYS H 1 41 LEU MD1 2.000 . 6.300 2.590 2.026 3.007 . 0 0 "[ . 1]" 1
76 1 31 CYS H 1 41 LEU MD2 2.000 . 6.300 3.244 2.824 4.630 . 0 0 "[ . 1]" 1
77 1 31 CYS H 1 49 LEU HA 2.000 . 6.300 5.841 5.485 6.331 0.031 5 0 "[ . 1]" 1
78 1 31 CYS H 1 50 CYS H 2.000 . 6.600 5.990 5.721 6.350 . 0 0 "[ . 1]" 1
79 1 31 CYS H 1 50 CYS QB 2.000 . 6.300 4.622 4.128 6.456 0.156 6 0 "[ . 1]" 1
80 1 31 CYS HA 1 33 SER H 2.000 . 5.300 3.478 3.417 3.548 . 0 0 "[ . 1]" 1
81 1 31 CYS HA 1 34 CYS H 2.000 . 5.300 5.237 5.117 5.309 0.009 5 0 "[ . 1]" 1
82 1 31 CYS HA 1 35 TRP H 2.000 . 6.300 5.414 5.285 5.575 . 0 0 "[ . 1]" 1
83 1 31 CYS HA 1 41 LEU MD1 2.000 . 6.000 2.697 2.121 3.243 . 0 0 "[ . 1]" 1
84 1 31 CYS HA 1 41 LEU MD2 2.000 . 6.000 4.105 3.525 4.798 . 0 0 "[ . 1]" 1
85 1 31 CYS HA 1 49 LEU HA 2.000 . 6.000 3.660 3.397 3.978 . 0 0 "[ . 1]" 1
86 1 31 CYS QB 1 34 CYS QB 2.000 . 6.300 5.057 4.969 5.172 . 0 0 "[ . 1]" 1
87 1 31 CYS QB 1 35 TRP H 2.000 . 5.300 3.367 3.139 3.701 . 0 0 "[ . 1]" 1
88 1 31 CYS QB 1 37 GLU QG 2.000 . 8.000 5.318 4.386 5.885 . 0 0 "[ . 1]" 1
89 1 31 CYS QB 1 41 LEU MD1 2.000 . 7.000 1.890 1.858 1.932 0.042 9 0 "[ . 1]" 1
90 1 31 CYS QB 1 41 LEU MD2 2.000 . 8.000 3.694 3.377 4.322 . 0 0 "[ . 1]" 1
91 1 31 CYS QB 1 50 CYS HA 2.000 . 7.000 4.432 4.168 4.753 . 0 0 "[ . 1]" 1
92 1 32 LYS H 1 33 SER H 2.000 . 4.600 2.281 2.214 2.315 . 0 0 "[ . 1]" 1
93 1 32 LYS H 1 33 SER QB 2.000 . 6.300 4.073 3.793 4.547 . 0 0 "[ . 1]" 1
94 1 32 LYS H 1 34 CYS H 2.000 . 5.600 4.934 4.889 4.977 . 0 0 "[ . 1]" 1
95 1 32 LYS H 1 41 LEU MD1 2.000 . 7.300 4.524 3.935 5.030 . 0 0 "[ . 1]" 1
96 1 32 LYS H 1 48 TYR H 2.000 . 6.600 5.300 4.480 5.763 . 0 0 "[ . 1]" 1
97 1 32 LYS H 1 48 TYR QB 2.000 . 7.300 3.759 2.424 4.330 . 0 0 "[ . 1]" 1
98 1 32 LYS H 1 49 LEU H 2.000 . 6.600 6.481 5.578 6.704 0.104 7 0 "[ . 1]" 1
99 1 32 LYS H 1 49 LEU HA 2.000 . 5.300 4.803 4.643 4.996 . 0 0 "[ . 1]" 1
100 1 32 LYS H 1 49 LEU MD2 2.000 . 7.300 6.170 4.670 7.304 0.004 8 0 "[ . 1]" 1
101 1 32 LYS H 1 50 CYS H 2.000 . 6.600 6.234 5.967 6.555 . 0 0 "[ . 1]" 1
102 1 32 LYS H 1 66 ILE MG 2.000 . 7.300 6.144 5.500 7.200 . 0 0 "[ . 1]" 1
103 1 32 LYS QB 1 33 SER H 2.000 . 5.300 3.305 3.157 3.764 . 0 0 "[ . 1]" 1
104 1 32 LYS QD 1 33 SER H 2.000 . 7.300 5.211 4.610 5.706 . 0 0 "[ . 1]" 1
105 1 32 LYS QG 1 33 SER H 2.000 . 7.300 3.957 2.629 4.461 . 0 0 "[ . 1]" 1
106 1 33 SER H 1 34 CYS H 2.000 . 4.600 2.931 2.906 2.984 . 0 0 "[ . 1]" 1
107 1 33 SER H 1 35 TRP H 2.000 . 5.600 4.064 3.984 4.205 . 0 0 "[ . 1]" 1
108 1 33 SER H 1 49 LEU HA 2.000 . 5.300 4.534 4.110 4.865 . 0 0 "[ . 1]" 1
109 1 33 SER H 1 49 LEU MD2 2.000 . 7.300 5.214 3.545 6.258 . 0 0 "[ . 1]" 1
110 1 33 SER H 1 53 CYS QB 2.000 . 7.300 6.213 6.080 6.523 . 0 0 "[ . 1]" 1
111 1 33 SER H 1 66 ILE MD 2.000 . 7.300 5.094 4.499 5.804 . 0 0 "[ . 1]" 1
112 1 33 SER HA 1 49 LEU MD2 2.000 . 7.000 5.979 4.399 7.141 0.141 9 0 "[ . 1]" 1
113 1 33 SER HA 1 66 ILE MG 2.000 . 6.000 5.926 5.052 6.090 0.090 3 0 "[ . 1]" 1
114 1 33 SER QB 1 34 CYS H 2.000 . 6.300 2.145 1.969 2.949 . 0 0 "[ . 1]" 1
115 1 33 SER QB 1 49 LEU MD2 2.000 . 8.000 3.498 1.876 4.606 0.024 6 0 "[ . 1]" 1
116 1 33 SER QB 1 57 LEU MD2 2.000 . 7.000 6.315 5.576 7.019 0.019 9 0 "[ . 1]" 1
117 1 33 SER QB 1 66 ILE MD 2.000 . 7.000 3.574 2.850 4.076 . 0 0 "[ . 1]" 1
118 1 33 SER QB 1 66 ILE MG 2.000 . 7.000 4.758 3.729 5.552 . 0 0 "[ . 1]" 1
119 1 34 CYS H 1 35 TRP H 2.000 . 4.600 2.589 2.558 2.639 . 0 0 "[ . 1]" 1
120 1 34 CYS H 1 35 TRP HD1 2.000 . 6.300 5.805 5.409 6.194 . 0 0 "[ . 1]" 1
121 1 34 CYS H 1 49 LEU MD2 2.000 . 7.300 5.050 3.229 6.883 . 0 0 "[ . 1]" 1
122 1 34 CYS HA 1 35 TRP H 2.000 . 5.300 3.588 3.580 3.596 . 0 0 "[ . 1]" 1
123 1 34 CYS QB 1 35 TRP H 2.000 . 6.300 3.403 3.335 3.428 . 0 0 "[ . 1]" 1
124 1 35 TRP H 1 36 PHE H 2.000 . 4.600 4.389 4.360 4.407 . 0 0 "[ . 1]" 1
125 1 35 TRP H 1 36 PHE HA 2.000 . 5.300 4.727 4.676 4.915 . 0 0 "[ . 1]" 1
126 1 35 TRP HA 1 35 TRP HE3 2.000 . 5.000 4.595 4.470 4.682 . 0 0 "[ . 1]" 1
127 1 35 TRP HD1 1 36 PHE H 2.000 . 5.300 3.569 3.307 3.827 . 0 0 "[ . 1]" 1
128 1 35 TRP HD1 1 36 PHE QD 2.000 . 7.000 5.399 5.019 5.646 . 0 0 "[ . 1]" 1
129 1 35 TRP HD1 1 39 LYS H 2.000 . 6.300 6.037 5.524 6.492 0.192 10 0 "[ . 1]" 1
130 1 35 TRP HD1 1 41 LEU MD1 2.000 . 7.000 6.287 5.888 6.946 . 0 0 "[ . 1]" 1
131 1 35 TRP HD1 1 52 ASN QD 2.000 . 7.300 6.049 4.965 7.312 0.012 6 0 "[ . 1]" 1
132 1 35 TRP HD1 1 53 CYS QB 2.000 . 7.000 6.660 6.183 6.961 . 0 0 "[ . 1]" 1
133 1 35 TRP HH2 1 52 ASN QB 2.000 . 7.000 4.482 3.598 5.339 . 0 0 "[ . 1]" 1
134 1 35 TRP HZ2 1 53 CYS QB 2.000 . 7.000 4.516 4.213 4.762 . 0 0 "[ . 1]" 1
135 1 36 PHE H 1 37 GLU H 2.000 . 5.600 4.346 3.756 4.552 . 0 0 "[ . 1]" 1
136 1 36 PHE HA 1 37 GLU H 2.000 . 5.300 2.368 2.202 3.463 . 0 0 "[ . 1]" 1
137 1 36 PHE HA 1 38 ASN QD 2.000 . 6.300 6.121 5.441 6.403 0.103 10 0 "[ . 1]" 1
138 1 36 PHE QB 1 37 GLU H 2.000 . 5.300 3.435 1.892 3.876 0.008 10 0 "[ . 1]" 1
139 1 36 PHE QD 1 37 GLU H 2.000 . 7.300 4.188 2.746 4.840 . 0 0 "[ . 1]" 1
140 1 37 GLU H 1 40 GLY H 2.000 . 6.600 6.619 6.367 6.815 0.215 10 0 "[ . 1]" 1
141 1 37 GLU HA 1 38 ASN H 2.000 . 4.300 2.684 2.205 3.576 . 0 0 "[ . 1]" 1
142 1 37 GLU HA 1 39 LYS H 2.000 . 5.300 3.895 3.036 4.356 . 0 0 "[ . 1]" 1
143 1 37 GLU QB 1 38 ASN H 2.000 . 6.300 3.218 2.523 4.052 . 0 0 "[ . 1]" 1
144 1 37 GLU QB 1 41 LEU MD1 2.000 . 6.000 5.152 4.470 6.019 0.019 9 0 "[ . 1]" 1
145 1 38 ASN H 1 39 LYS H 2.000 . 4.600 2.523 2.304 2.753 . 0 0 "[ . 1]" 1
146 1 38 ASN H 1 39 LYS QB 2.000 . 6.300 4.259 3.949 4.640 . 0 0 "[ . 1]" 1
147 1 38 ASN H 1 39 LYS QG 2.000 . 7.300 4.719 2.972 6.275 . 0 0 "[ . 1]" 1
148 1 38 ASN H 1 41 LEU MD2 2.000 . 6.300 5.691 5.129 6.178 . 0 0 "[ . 1]" 1
149 1 38 ASN HA 1 41 LEU MD1 2.000 . 5.000 4.061 3.287 4.395 . 0 0 "[ . 1]" 1
150 1 38 ASN HA 1 41 LEU MD2 2.000 . 5.000 3.693 3.234 4.681 . 0 0 "[ . 1]" 1
151 1 38 ASN HA 1 50 CYS HB3 2.000 . 6.000 5.236 4.638 6.103 0.103 6 0 "[ . 1]" 1
152 1 38 ASN QB 1 39 LYS H 2.000 . 5.300 3.673 3.514 3.918 . 0 0 "[ . 1]" 1
153 1 38 ASN QB 1 41 LEU MD1 2.000 . 6.000 5.420 4.627 5.836 . 0 0 "[ . 1]" 1
154 1 38 ASN QB 1 41 LEU MD2 2.000 . 6.000 4.492 3.268 5.452 . 0 0 "[ . 1]" 1
155 1 39 LYS H 1 41 LEU MD1 2.000 . 6.300 5.747 5.364 6.169 . 0 0 "[ . 1]" 1
156 1 39 LYS H 1 41 LEU MD2 2.000 . 7.300 6.132 5.834 6.787 . 0 0 "[ . 1]" 1
157 1 39 LYS HA 1 40 GLY H 2.000 . 5.300 3.576 3.541 3.587 . 0 0 "[ . 1]" 1
158 1 39 LYS HA 1 41 LEU H 2.000 . 5.300 5.003 4.511 5.142 . 0 0 "[ . 1]" 1
159 1 39 LYS QB 1 40 GLY H 2.000 . 6.300 2.514 2.339 3.461 . 0 0 "[ . 1]" 1
160 1 39 LYS QB 1 40 GLY QA 2.000 . 6.000 3.784 3.653 4.151 . 0 0 "[ . 1]" 1
161 1 39 LYS QB 1 41 LEU H 2.000 . 6.300 4.882 4.791 5.327 . 0 0 "[ . 1]" 1
162 1 39 LYS QG 1 40 GLY H 2.000 . 6.300 3.631 2.060 4.095 . 0 0 "[ . 1]" 1
163 1 40 GLY H 1 41 LEU H 2.000 . 4.600 2.744 2.680 2.887 . 0 0 "[ . 1]" 1
164 1 40 GLY H 1 51 LEU H 2.000 . 6.600 5.038 4.426 5.920 . 0 0 "[ . 1]" 1
165 1 40 GLY QA 1 41 LEU H 2.000 . 5.300 2.595 2.578 2.650 . 0 0 "[ . 1]" 1
166 1 41 LEU H 1 42 VAL H 2.000 . 4.600 4.616 4.585 4.645 0.045 3 0 "[ . 1]" 1
167 1 41 LEU HA 1 48 TYR QD 2.000 . 7.000 6.682 4.628 7.208 0.208 8 0 "[ . 1]" 1
168 1 41 LEU HA 1 49 LEU H 2.000 . 5.300 5.109 4.718 5.360 0.060 3 0 "[ . 1]" 1
169 1 41 LEU HA 1 50 CYS H 2.000 . 5.300 4.126 3.729 4.430 . 0 0 "[ . 1]" 1
170 1 41 LEU HA 1 50 CYS HA 2.000 . 5.000 1.961 1.905 2.017 . 0 0 "[ . 1]" 1
171 1 41 LEU HA 1 50 CYS QB 2.000 . 6.000 2.149 1.937 2.738 . 0 0 "[ . 1]" 1
172 1 41 LEU HA 1 51 LEU H 2.000 . 6.300 3.525 3.277 3.838 . 0 0 "[ . 1]" 1
173 1 41 LEU MD1 1 42 VAL H 2.000 . 5.300 2.497 2.142 4.213 . 0 0 "[ . 1]" 1
174 1 41 LEU MD1 1 48 TYR HA 2.000 . 6.000 3.712 3.164 4.138 . 0 0 "[ . 1]" 1
175 1 41 LEU MD1 1 48 TYR QD 2.000 . 8.000 3.797 2.043 4.300 . 0 0 "[ . 1]" 1
176 1 41 LEU MD1 1 49 LEU H 2.000 . 7.300 3.093 2.451 3.966 . 0 0 "[ . 1]" 1
177 1 41 LEU MD1 1 50 CYS H 2.000 . 6.300 3.304 2.840 4.554 . 0 0 "[ . 1]" 1
178 1 41 LEU MD1 1 50 CYS HA 2.000 . 6.000 2.834 2.263 4.657 . 0 0 "[ . 1]" 1
179 1 41 LEU MD1 1 50 CYS QB 2.000 . 6.000 2.415 1.940 3.330 . 0 0 "[ . 1]" 1
180 1 41 LEU MD1 1 51 LEU H 2.000 . 6.300 4.793 4.288 6.393 0.093 8 0 "[ . 1]" 1
181 1 41 LEU MD1 1 52 ASN H 2.000 . 7.300 5.913 5.465 7.204 . 0 0 "[ . 1]" 1
182 1 41 LEU MD2 1 42 VAL H 2.000 . 6.300 4.093 2.915 4.366 . 0 0 "[ . 1]" 1
183 1 41 LEU MD2 1 48 TYR QD 2.000 . 8.000 3.228 2.461 3.922 . 0 0 "[ . 1]" 1
184 1 41 LEU MD2 1 48 TYR QE 2.000 . 8.000 4.508 2.245 5.287 . 0 0 "[ . 1]" 1
185 1 41 LEU MD2 1 49 LEU H 2.000 . 7.300 4.566 3.594 5.246 . 0 0 "[ . 1]" 1
186 1 41 LEU MD2 1 50 CYS H 2.000 . 7.300 5.771 5.433 6.212 . 0 0 "[ . 1]" 1
187 1 41 LEU MD2 1 50 CYS HA 2.000 . 6.000 5.032 4.533 5.297 . 0 0 "[ . 1]" 1
188 1 41 LEU MD2 1 50 CYS QB 2.000 . 7.000 4.465 4.201 5.389 . 0 0 "[ . 1]" 1
189 1 42 VAL H 1 43 GLU H 2.000 . 5.600 4.341 4.113 4.448 . 0 0 "[ . 1]" 1
190 1 42 VAL H 1 48 TYR HA 2.000 . 5.300 5.052 4.824 5.339 0.039 5 0 "[ . 1]" 1
191 1 42 VAL H 1 48 TYR QB 2.000 . 6.300 5.049 4.708 5.630 . 0 0 "[ . 1]" 1
192 1 42 VAL H 1 48 TYR QD 2.000 . 7.300 5.797 3.927 6.751 . 0 0 "[ . 1]" 1
193 1 42 VAL H 1 50 CYS HA 2.000 . 6.300 1.980 1.901 2.264 . 0 0 "[ . 1]" 1
194 1 42 VAL HA 1 43 GLU H 2.000 . 4.300 2.236 2.217 2.251 . 0 0 "[ . 1]" 1
195 1 42 VAL HB 1 49 LEU H 2.000 . 5.300 4.013 3.693 5.305 0.005 8 0 "[ . 1]" 1
196 1 42 VAL MG1 1 43 GLU HA 2.000 . 7.000 4.425 4.149 5.708 . 0 0 "[ . 1]" 1
197 1 42 VAL MG1 1 44 CYS QB 2.000 . 7.000 4.809 4.504 6.483 . 0 0 "[ . 1]" 1
198 1 42 VAL MG1 1 49 LEU H 2.000 . 6.300 4.493 4.266 5.286 . 0 0 "[ . 1]" 1
199 1 42 VAL MG1 1 49 LEU QB 2.000 . 6.000 4.482 4.068 5.346 . 0 0 "[ . 1]" 1
200 1 42 VAL MG1 1 51 LEU HA 2.000 . 6.000 4.693 4.139 4.957 . 0 0 "[ . 1]" 1
201 1 42 VAL MG1 1 51 LEU QB 2.000 . 7.000 4.388 3.316 4.876 . 0 0 "[ . 1]" 1
202 1 42 VAL MG1 1 51 LEU HG 2.000 . 6.000 6.023 5.651 6.157 0.157 4 0 "[ . 1]" 1
203 1 42 VAL MG1 1 54 LEU MD1 2.000 . 6.000 2.898 2.267 4.024 . 0 0 "[ . 1]" 1
204 1 42 VAL MG2 1 43 GLU HA 2.000 . 6.000 5.561 4.340 5.761 . 0 0 "[ . 1]" 1
205 1 42 VAL MG2 1 51 LEU HA 2.000 . 6.000 3.144 2.472 4.060 . 0 0 "[ . 1]" 1
206 1 43 GLU H 1 44 CYS H 2.000 . 5.600 4.406 4.331 4.579 . 0 0 "[ . 1]" 1
207 1 43 GLU H 1 48 TYR HA 2.000 . 6.300 5.234 5.177 5.309 . 0 0 "[ . 1]" 1
208 1 43 GLU H 1 48 TYR QD 2.000 . 7.300 5.158 4.681 6.039 . 0 0 "[ . 1]" 1
209 1 43 GLU H 1 48 TYR QE 2.000 . 8.300 6.342 4.083 8.060 . 0 0 "[ . 1]" 1
210 1 43 GLU HA 1 44 CYS H 2.000 . 4.300 2.181 2.142 2.214 . 0 0 "[ . 1]" 1
211 1 43 GLU HA 1 47 HIS H 2.000 . 5.600 5.253 5.108 5.345 . 0 0 "[ . 1]" 1
212 1 43 GLU HA 1 48 TYR H 2.000 . 5.300 5.390 5.310 5.463 0.163 9 0 "[ . 1]" 1
213 1 43 GLU HA 1 48 TYR HA 2.000 . 5.000 2.587 2.457 2.702 . 0 0 "[ . 1]" 1
214 1 43 GLU HA 1 48 TYR QD 2.000 . 7.000 2.797 2.152 3.531 . 0 0 "[ . 1]" 1
215 1 43 GLU HA 1 49 LEU H 2.000 . 5.300 3.459 3.022 3.792 . 0 0 "[ . 1]" 1
216 1 43 GLU QB 1 44 CYS H 2.000 . 6.300 3.619 3.223 3.985 . 0 0 "[ . 1]" 1
217 1 43 GLU QB 1 46 ASN QD 2.000 . 8.600 7.607 6.964 8.638 0.038 2 0 "[ . 1]" 1
218 1 43 GLU QG 1 46 ASN QD 2.000 . 8.600 7.997 6.052 8.825 0.225 8 0 "[ . 1]" 1
219 1 43 GLU QG 1 48 TYR QE 2.000 . 8.000 3.461 2.018 6.203 . 0 0 "[ . 1]" 1
220 1 44 CYS H 1 45 ASN H 2.000 . 5.600 4.660 4.596 4.691 . 0 0 "[ . 1]" 1
221 1 44 CYS H 1 47 HIS H 2.000 . 5.600 3.750 3.539 3.881 . 0 0 "[ . 1]" 1
222 1 44 CYS H 1 48 TYR H 2.000 . 5.600 4.572 4.513 4.641 . 0 0 "[ . 1]" 1
223 1 44 CYS H 1 48 TYR HA 2.000 . 5.300 2.455 2.386 2.553 . 0 0 "[ . 1]" 1
224 1 44 CYS H 1 48 TYR QD 2.000 . 7.300 3.922 2.942 4.383 . 0 0 "[ . 1]" 1
225 1 44 CYS H 1 48 TYR QE 2.000 . 8.300 5.326 4.787 6.083 . 0 0 "[ . 1]" 1
226 1 44 CYS H 1 49 LEU H 2.000 . 5.600 3.236 3.012 3.513 . 0 0 "[ . 1]" 1
227 1 44 CYS QB 1 45 ASN H 2.000 . 5.300 2.989 2.911 3.060 . 0 0 "[ . 1]" 1
228 1 44 CYS QB 1 47 HIS HE1 2.000 . 6.000 3.983 3.809 4.138 . 0 0 "[ . 1]" 1
229 1 45 ASN H 1 46 ASN H 2.000 . 5.600 3.222 3.195 3.254 . 0 0 "[ . 1]" 1
230 1 45 ASN H 1 47 HIS H 2.000 . 5.600 3.852 3.812 3.876 . 0 0 "[ . 1]" 1
231 1 45 ASN HA 1 46 ASN H 2.000 . 4.300 3.588 3.581 3.597 . 0 0 "[ . 1]" 1
232 1 45 ASN HA 1 47 HIS H 2.000 . 5.300 4.382 4.338 4.445 . 0 0 "[ . 1]" 1
233 1 45 ASN QB 1 46 ASN H 2.000 . 5.300 2.011 1.963 2.054 . 0 0 "[ . 1]" 1
234 1 46 ASN H 1 47 HIS H 2.000 . 4.600 2.724 2.685 2.754 . 0 0 "[ . 1]" 1
235 1 46 ASN H 1 67 CYS QB 2.000 . 5.600 4.812 4.669 5.106 . 0 0 "[ . 1]" 1
236 1 46 ASN HA 1 47 HIS H 2.000 . 4.300 3.031 3.013 3.058 . 0 0 "[ . 1]" 1
237 1 46 ASN QB 1 47 HIS H 2.000 . 6.300 3.830 3.747 4.065 . 0 0 "[ . 1]" 1
238 1 46 ASN QD 1 67 CYS HA 2.000 . 7.600 6.075 2.060 7.442 . 0 0 "[ . 1]" 1
239 1 47 HIS H 1 48 TYR H 2.000 . 5.600 4.450 4.437 4.463 . 0 0 "[ . 1]" 1
240 1 47 HIS QB 1 48 TYR H 2.000 . 5.300 3.617 3.539 3.673 . 0 0 "[ . 1]" 1
241 1 47 HIS QB 1 66 ILE MD 2.000 . 9.000 4.621 3.613 5.466 . 0 0 "[ . 1]" 1
242 1 47 HIS QB 1 67 CYS H 2.000 . 5.300 3.954 3.599 4.480 . 0 0 "[ . 1]" 1
243 1 47 HIS QB 1 67 CYS QB 2.000 . 6.300 3.972 3.912 4.027 . 0 0 "[ . 1]" 1
244 1 47 HIS HD2 1 49 LEU MD2 2.000 . 6.000 5.082 3.313 5.438 . 0 0 "[ . 1]" 1
245 1 47 HIS HD2 1 66 ILE HB 2.000 . 5.300 4.222 3.525 5.753 0.453 5 0 "[ . 1]" 1
246 1 47 HIS HD2 1 66 ILE MD 2.000 . 6.000 3.690 2.673 4.714 . 0 0 "[ . 1]" 1
247 1 47 HIS HD2 1 66 ILE MG 2.000 . 6.000 2.640 2.180 3.606 . 0 0 "[ . 1]" 1
248 1 47 HIS HD2 1 67 CYS QB 2.000 . 7.000 6.926 6.776 7.028 0.028 5 0 "[ . 1]" 1
249 1 47 HIS HE1 1 65 PRO QG 2.000 . 6.000 4.927 4.419 5.539 . 0 0 "[ . 1]" 1
250 1 47 HIS HE1 1 66 ILE HB 2.000 . 6.000 3.299 2.732 4.948 . 0 0 "[ . 1]" 1
251 1 47 HIS HE1 1 66 ILE MD 2.000 . 6.000 3.797 1.995 4.711 . 0 0 "[ . 1]" 1
252 1 47 HIS HE1 1 66 ILE MG 2.000 . 6.000 3.649 2.205 4.158 . 0 0 "[ . 1]" 1
253 1 47 HIS HE1 1 67 CYS H 2.000 . 6.000 4.622 4.308 5.067 . 0 0 "[ . 1]" 1
254 1 48 TYR H 1 49 LEU H 2.000 . 5.600 4.391 4.336 4.489 . 0 0 "[ . 1]" 1
255 1 48 TYR H 1 49 LEU QB 2.000 . 6.300 4.802 4.579 5.183 . 0 0 "[ . 1]" 1
256 1 48 TYR H 1 49 LEU MD2 2.000 . 7.300 5.922 3.790 6.492 . 0 0 "[ . 1]" 1
257 1 48 TYR H 1 66 ILE HB 2.000 . 6.000 6.008 5.252 7.629 1.629 5 2 "[ + - 1]" 1
258 1 48 TYR H 1 66 ILE MG 2.000 . 6.300 4.108 3.542 5.048 . 0 0 "[ . 1]" 1
259 1 48 TYR HA 1 49 LEU H 2.000 . 4.300 2.187 2.172 2.207 . 0 0 "[ . 1]" 1
260 1 48 TYR QB 1 49 LEU H 2.000 . 5.300 3.326 3.159 3.595 . 0 0 "[ . 1]" 1
261 1 48 TYR QD 1 49 LEU H 2.000 . 7.300 4.279 3.335 4.927 . 0 0 "[ . 1]" 1
262 1 49 LEU H 1 50 CYS H 2.000 . 5.600 4.391 4.363 4.452 . 0 0 "[ . 1]" 1
263 1 49 LEU H 1 54 LEU MD1 2.000 . 6.300 4.679 4.063 6.698 0.398 6 0 "[ . 1]" 1
264 1 49 LEU HA 1 50 CYS H 2.000 . 4.300 2.368 2.317 2.444 . 0 0 "[ . 1]" 1
265 1 49 LEU QB 1 50 CYS H 2.000 . 5.300 3.310 2.880 3.656 . 0 0 "[ . 1]" 1
266 1 49 LEU MD1 1 50 CYS H 2.000 . 6.300 3.614 2.679 4.559 . 0 0 "[ . 1]" 1
267 1 49 LEU MD1 1 54 LEU HA 2.000 . 5.000 3.426 1.940 4.189 . 0 0 "[ . 1]" 1
268 1 49 LEU MD1 1 57 LEU MD1 2.000 . 6.000 4.847 3.705 6.118 0.118 10 0 "[ . 1]" 1
269 1 49 LEU MD1 1 57 LEU MD2 2.000 . 6.000 4.892 3.374 5.933 . 0 0 "[ . 1]" 1
270 1 49 LEU MD1 1 66 ILE MG 2.000 . 9.000 4.134 3.220 5.382 . 0 0 "[ . 1]" 1
271 1 49 LEU MD2 1 53 CYS H 2.000 . 7.300 4.822 4.044 7.016 . 0 0 "[ . 1]" 1
272 1 49 LEU MD2 1 53 CYS QB 2.000 . 7.000 3.982 3.253 6.294 . 0 0 "[ . 1]" 1
273 1 49 LEU MD2 1 59 SER HA 2.000 . 6.500 4.361 2.689 6.258 . 0 0 "[ . 1]" 1
274 1 49 LEU MD2 1 66 ILE MD 2.000 . 9.500 4.232 2.138 5.360 . 0 0 "[ . 1]" 1
275 1 49 LEU MD2 1 66 ILE MG 2.000 . 9.000 4.787 4.050 5.411 . 0 0 "[ . 1]" 1
276 1 49 LEU HG 1 50 CYS H 2.000 . 4.300 3.306 2.188 4.369 0.069 5 0 "[ . 1]" 1
277 1 50 CYS H 1 51 LEU HA 2.000 . 5.300 5.462 5.369 5.574 0.274 9 0 "[ . 1]" 1
278 1 50 CYS H 1 51 LEU MD1 2.000 . 6.800 6.608 6.443 6.823 0.023 1 0 "[ . 1]" 1
279 1 50 CYS H 1 53 CYS H 2.000 . 5.600 3.946 3.722 4.144 . 0 0 "[ . 1]" 1
280 1 50 CYS H 1 53 CYS QB 2.000 . 5.300 4.606 4.318 4.862 . 0 0 "[ . 1]" 1
281 1 50 CYS H 1 54 LEU H 2.000 . 6.600 3.885 3.599 4.338 . 0 0 "[ . 1]" 1
282 1 50 CYS HA 1 51 LEU H 2.000 . 4.300 2.329 2.283 2.408 . 0 0 "[ . 1]" 1
283 1 50 CYS HA 1 52 ASN H 2.000 . 4.300 4.139 3.974 4.339 0.039 1 0 "[ . 1]" 1
284 1 50 CYS QB 1 51 LEU H 2.000 . 5.300 2.717 2.523 2.872 . 0 0 "[ . 1]" 1
285 1 50 CYS QB 1 52 ASN H 2.000 . 5.300 2.966 2.769 3.218 . 0 0 "[ . 1]" 1
286 1 51 LEU H 1 52 ASN HA 2.000 . 5.300 5.342 5.290 5.372 0.072 6 0 "[ . 1]" 1
287 1 51 LEU H 1 52 ASN QB 2.000 . 5.300 4.511 4.308 4.820 . 0 0 "[ . 1]" 1
288 1 51 LEU H 1 53 CYS H 2.000 . 4.600 4.766 4.507 4.928 0.328 4 0 "[ . 1]" 1
289 1 51 LEU H 1 54 LEU QB 2.000 . 7.300 3.855 3.757 4.029 . 0 0 "[ . 1]" 1
290 1 51 LEU HA 1 52 ASN H 2.000 . 5.300 3.514 3.479 3.551 . 0 0 "[ . 1]" 1
291 1 51 LEU HA 1 54 LEU MD1 2.000 . 5.000 3.262 2.595 4.447 . 0 0 "[ . 1]" 1
292 1 51 LEU QB 1 52 ASN H 2.000 . 5.300 2.904 2.535 3.609 . 0 0 "[ . 1]" 1
293 1 51 LEU QB 1 54 LEU H 2.000 . 6.300 4.993 4.808 5.077 . 0 0 "[ . 1]" 1
294 1 51 LEU MD1 1 52 ASN HA 2.000 . 6.800 4.709 2.371 5.842 . 0 0 "[ . 1]" 1
295 1 51 LEU MD1 1 52 ASN QD 2.000 . 7.300 6.162 3.850 7.340 0.040 2 0 "[ . 1]" 1
296 1 51 LEU MD2 1 52 ASN QD 2.000 . 7.300 5.802 4.923 6.751 . 0 0 "[ . 1]" 1
297 1 51 LEU HG 1 52 ASN HA 2.000 . 5.000 4.543 3.861 5.501 0.501 1 1 "[+ . 1]" 1
298 1 52 ASN H 1 53 CYS H 2.000 . 4.600 2.898 2.823 3.019 . 0 0 "[ . 1]" 1
299 1 52 ASN H 1 54 LEU H 2.000 . 5.600 3.846 3.754 3.949 . 0 0 "[ . 1]" 1
300 1 52 ASN H 1 54 LEU QB 2.000 . 6.300 4.243 4.134 4.427 . 0 0 "[ . 1]" 1
301 1 52 ASN H 1 55 THR H 2.000 . 5.600 4.708 4.554 5.012 . 0 0 "[ . 1]" 1
302 1 52 ASN HA 1 53 CYS H 2.000 . 5.300 3.610 3.596 3.618 . 0 0 "[ . 1]" 1
303 1 52 ASN HA 1 53 CYS HA 2.000 . 5.000 4.647 4.638 4.663 . 0 0 "[ . 1]" 1
304 1 52 ASN HA 1 53 CYS QB 2.000 . 6.000 5.301 5.267 5.357 . 0 0 "[ . 1]" 1
305 1 52 ASN HA 1 55 THR H 2.000 . 5.300 4.436 4.166 4.595 . 0 0 "[ . 1]" 1
306 1 52 ASN HA 1 55 THR HB 2.000 . 5.000 4.053 3.803 4.222 . 0 0 "[ . 1]" 1
307 1 52 ASN HA 1 55 THR MG 2.000 . 6.000 5.082 4.786 5.240 . 0 0 "[ . 1]" 1
308 1 52 ASN HA 1 56 LEU H 2.000 . 5.300 5.173 4.908 5.409 0.109 6 0 "[ . 1]" 1
309 1 52 ASN QB 1 53 CYS H 2.000 . 5.300 2.316 2.144 2.488 . 0 0 "[ . 1]" 1
310 1 52 ASN QB 1 55 THR MG 2.000 . 7.000 6.380 6.120 6.518 . 0 0 "[ . 1]" 1
311 1 53 CYS H 1 54 LEU H 2.000 . 4.600 2.221 2.197 2.261 . 0 0 "[ . 1]" 1
312 1 53 CYS H 1 54 LEU QB 2.000 . 6.300 3.880 3.850 3.923 . 0 0 "[ . 1]" 1
313 1 53 CYS H 1 54 LEU MD2 2.000 . 7.300 5.729 5.504 5.884 . 0 0 "[ . 1]" 1
314 1 53 CYS H 1 54 LEU HG 2.000 . 6.300 6.535 6.410 6.583 0.283 8 0 "[ . 1]" 1
315 1 53 CYS H 1 55 THR H 2.000 . 5.600 4.141 4.090 4.249 . 0 0 "[ . 1]" 1
316 1 53 CYS HA 1 56 LEU MD1 2.000 . 6.000 3.682 2.042 5.169 . 0 0 "[ . 1]" 1
317 1 53 CYS HA 1 56 LEU HG 2.000 . 5.000 4.127 3.287 5.115 0.115 3 0 "[ . 1]" 1
318 1 53 CYS QB 1 54 LEU H 2.000 . 5.300 3.553 3.511 3.599 . 0 0 "[ . 1]" 1
319 1 53 CYS QB 1 57 LEU MD2 2.000 . 7.000 5.692 5.260 6.400 . 0 0 "[ . 1]" 1
320 1 54 LEU H 1 55 THR H 2.000 . 4.600 2.750 2.699 2.789 . 0 0 "[ . 1]" 1
321 1 54 LEU H 1 56 LEU H 2.000 . 5.600 4.279 4.233 4.365 . 0 0 "[ . 1]" 1
322 1 54 LEU HA 1 55 THR H 2.000 . 4.300 3.570 3.556 3.579 . 0 0 "[ . 1]" 1
323 1 54 LEU HA 1 56 LEU H 2.000 . 5.300 4.549 4.145 4.702 . 0 0 "[ . 1]" 1
324 1 54 LEU HA 1 57 LEU QB 2.000 . 6.000 3.451 3.005 3.727 . 0 0 "[ . 1]" 1
325 1 54 LEU QB 1 55 THR H 2.000 . 5.300 2.432 2.375 2.593 . 0 0 "[ . 1]" 1
326 1 54 LEU QB 1 56 LEU H 2.000 . 6.300 4.740 4.672 4.904 . 0 0 "[ . 1]" 1
327 1 54 LEU MD1 1 55 THR H 2.000 . 6.300 4.320 3.075 4.513 . 0 0 "[ . 1]" 1
328 1 54 LEU MD1 1 55 THR HB 2.000 . 6.000 6.081 4.673 6.319 0.319 2 0 "[ . 1]" 1
329 1 54 LEU MD1 1 55 THR MG 2.000 . 7.000 5.871 4.329 6.136 . 0 0 "[ . 1]" 1
330 1 54 LEU MD1 1 59 SER H 2.000 . 5.300 4.037 2.448 4.792 . 0 0 "[ . 1]" 1
331 1 54 LEU MD1 1 59 SER HA 2.000 . 6.000 2.760 1.875 3.079 0.025 9 0 "[ . 1]" 1
332 1 54 LEU MD1 1 59 SER QB 2.000 . 6.300 2.635 1.911 3.261 . 0 0 "[ . 1]" 1
333 1 54 LEU MD2 1 55 THR H 2.000 . 6.300 3.126 2.654 4.344 . 0 0 "[ . 1]" 1
334 1 54 LEU MD2 1 58 LEU H 2.000 . 6.300 4.139 3.707 5.897 . 0 0 "[ . 1]" 1
335 1 54 LEU MD2 1 58 LEU HA 2.000 . 6.000 3.431 2.806 5.178 . 0 0 "[ . 1]" 1
336 1 54 LEU MD2 1 59 SER H 2.000 . 5.300 2.899 2.430 4.645 . 0 0 "[ . 1]" 1
337 1 54 LEU MD2 1 59 SER HA 2.000 . 6.000 2.777 1.885 3.985 0.015 6 0 "[ . 1]" 1
338 1 54 LEU MD2 1 59 SER QB 2.000 . 6.300 2.503 1.890 4.242 0.010 7 0 "[ . 1]" 1
339 1 54 LEU HG 1 55 THR H 2.000 . 5.300 4.380 3.342 4.857 . 0 0 "[ . 1]" 1
340 1 54 LEU HG 1 58 LEU H 2.000 . 6.300 5.266 4.645 6.272 . 0 0 "[ . 1]" 1
341 1 54 LEU HG 1 59 SER H 2.000 . 6.300 4.064 3.097 4.918 . 0 0 "[ . 1]" 1
342 1 54 LEU HG 1 59 SER QB 2.000 . 5.300 3.471 2.188 5.112 . 0 0 "[ . 1]" 1
343 1 55 THR H 1 56 LEU H 2.000 . 4.600 2.752 2.717 2.790 . 0 0 "[ . 1]" 1
344 1 55 THR H 1 57 LEU H 2.000 . 4.600 4.323 4.243 4.474 . 0 0 "[ . 1]" 1
345 1 55 THR HA 1 56 LEU H 2.000 . 5.300 3.585 3.560 3.593 . 0 0 "[ . 1]" 1
346 1 55 THR HA 1 58 LEU H 2.000 . 5.300 3.325 3.122 3.510 . 0 0 "[ . 1]" 1
347 1 55 THR HA 1 58 LEU QB 2.000 . 7.000 5.253 5.034 5.464 . 0 0 "[ . 1]" 1
348 1 55 THR HA 1 58 LEU MD1 2.000 . 7.000 4.863 3.930 6.371 . 0 0 "[ . 1]" 1
349 1 55 THR HA 1 58 LEU MD2 2.000 . 7.000 3.820 3.122 4.790 . 0 0 "[ . 1]" 1
350 1 55 THR HA 1 58 LEU HG 2.000 . 6.000 5.693 4.664 6.276 0.276 4 0 "[ . 1]" 1
351 1 55 THR HA 1 59 SER H 2.000 . 5.300 4.561 4.087 5.253 . 0 0 "[ . 1]" 1
352 1 55 THR HB 1 56 LEU H 2.000 . 4.300 2.529 2.446 2.705 . 0 0 "[ . 1]" 1
353 1 55 THR HB 1 56 LEU QB 2.000 . 7.000 4.332 3.933 4.584 . 0 0 "[ . 1]" 1
354 1 55 THR HB 1 57 LEU H 2.000 . 5.300 5.070 4.974 5.204 . 0 0 "[ . 1]" 1
355 1 55 THR HB 1 58 LEU MD2 2.000 . 7.000 6.127 5.292 7.126 0.126 7 0 "[ . 1]" 1
356 1 55 THR MG 1 56 LEU H 2.000 . 5.300 3.364 3.269 3.559 . 0 0 "[ . 1]" 1
357 1 55 THR MG 1 56 LEU HA 2.000 . 6.000 3.522 3.427 3.656 . 0 0 "[ . 1]" 1
358 1 55 THR MG 1 56 LEU QB 2.000 . 7.000 4.503 4.059 4.780 . 0 0 "[ . 1]" 1
359 1 55 THR MG 1 58 LEU MD2 2.000 . 7.000 4.115 3.369 5.053 . 0 0 "[ . 1]" 1
360 1 56 LEU H 1 57 LEU H 2.000 . 4.600 2.779 2.724 2.823 . 0 0 "[ . 1]" 1
361 1 56 LEU H 1 58 LEU H 2.000 . 5.600 3.856 3.775 4.005 . 0 0 "[ . 1]" 1
362 1 57 LEU H 1 58 LEU H 2.000 . 4.600 2.513 2.410 2.696 . 0 0 "[ . 1]" 1
363 1 57 LEU H 1 59 SER H 2.000 . 6.600 6.320 6.159 6.602 0.002 9 0 "[ . 1]" 1
364 1 57 LEU HA 1 58 LEU H 2.000 . 4.300 3.252 3.163 3.363 . 0 0 "[ . 1]" 1
365 1 57 LEU HA 1 58 LEU HA 2.000 . 6.000 5.185 5.129 5.260 . 0 0 "[ . 1]" 1
366 1 57 LEU QB 1 60 VAL MG1 2.000 . 8.500 6.611 5.968 7.825 . 0 0 "[ . 1]" 1
367 1 57 LEU MD1 1 58 LEU HA 2.000 . 7.000 6.652 6.092 6.964 . 0 0 "[ . 1]" 1
368 1 57 LEU MD1 1 64 CYS HA 2.000 . 7.000 6.716 5.901 7.044 0.044 8 0 "[ . 1]" 1
369 1 57 LEU MD1 1 65 PRO QB 2.000 . 8.000 5.157 4.312 5.999 . 0 0 "[ . 1]" 1
370 1 57 LEU MD1 1 65 PRO QG 2.000 . 8.000 3.857 2.859 4.797 . 0 0 "[ . 1]" 1
371 1 57 LEU MD2 1 58 LEU HA 2.000 . 6.500 5.992 4.914 6.510 0.010 1 0 "[ . 1]" 1
372 1 57 LEU MD2 1 64 CYS HA 2.000 . 7.000 5.367 4.350 6.762 . 0 0 "[ . 1]" 1
373 1 57 LEU MD2 1 65 PRO QG 2.000 . 8.000 2.910 2.136 3.357 . 0 0 "[ . 1]" 1
374 1 57 LEU MD2 1 66 ILE H 2.000 . 6.300 5.761 4.826 6.390 0.090 3 0 "[ . 1]" 1
375 1 57 LEU MD2 1 66 ILE HA 2.000 . 8.000 7.547 6.784 8.035 0.035 9 0 "[ . 1]" 1
376 1 57 LEU MD2 1 66 ILE MG 2.000 . 8.000 6.743 4.708 7.653 . 0 0 "[ . 1]" 1
377 1 58 LEU H 1 59 SER H 2.000 . 4.600 4.393 4.263 4.536 . 0 0 "[ . 1]" 1
378 1 58 LEU H 1 60 VAL H 2.000 . 6.600 6.464 6.237 6.616 0.016 5 0 "[ . 1]" 1
379 1 58 LEU H 1 61 SER H 2.000 . 6.600 5.910 5.626 6.216 . 0 0 "[ . 1]" 1
380 1 58 LEU HA 1 60 VAL H 2.000 . 5.300 4.636 4.505 4.830 . 0 0 "[ . 1]" 1
381 1 58 LEU HA 1 61 SER H 2.000 . 4.300 4.653 4.556 4.724 0.424 4 0 "[ . 1]" 1
382 1 58 LEU HA 1 61 SER HA 2.000 . 6.000 5.959 5.820 6.168 0.168 9 0 "[ . 1]" 1
383 1 58 LEU QB 1 59 SER H 2.000 . 5.300 3.058 2.819 3.236 . 0 0 "[ . 1]" 1
384 1 58 LEU QB 1 61 SER H 2.000 . 6.300 2.017 1.920 2.182 . 0 0 "[ . 1]" 1
385 1 58 LEU MD2 1 59 SER H 2.000 . 6.300 3.462 2.827 3.964 . 0 0 "[ . 1]" 1
386 1 58 LEU MD2 1 61 SER H 2.000 . 5.300 4.036 2.797 4.725 . 0 0 "[ . 1]" 1
387 1 58 LEU HG 1 59 SER H 2.000 . 4.300 4.411 4.367 4.473 0.173 7 0 "[ . 1]" 1
388 1 58 LEU HG 1 61 SER H 2.000 . 6.300 4.254 3.692 5.045 . 0 0 "[ . 1]" 1
389 1 59 SER H 1 60 VAL MG1 2.000 . 6.300 4.817 4.465 4.938 . 0 0 "[ . 1]" 1
390 1 59 SER H 1 60 VAL MG2 2.000 . 6.600 4.553 4.244 6.162 . 0 0 "[ . 1]" 1
391 1 59 SER H 1 61 SER H 2.000 . 5.600 4.153 4.008 4.354 . 0 0 "[ . 1]" 1
392 1 59 SER HA 1 60 VAL H 2.000 . 4.300 3.554 3.544 3.561 . 0 0 "[ . 1]" 1
393 1 59 SER QB 1 60 VAL H 2.000 . 5.300 2.334 1.963 3.074 . 0 0 "[ . 1]" 1
394 1 59 SER QB 1 61 SER QB 2.000 . 7.000 5.822 5.379 6.476 . 0 0 "[ . 1]" 1
395 1 60 VAL H 1 61 SER H 2.000 . 4.600 2.893 2.811 3.012 . 0 0 "[ . 1]" 1
396 1 60 VAL H 1 61 SER HA 2.000 . 5.300 4.124 4.088 4.159 . 0 0 "[ . 1]" 1
397 1 60 VAL H 1 61 SER QB 2.000 . 6.300 4.419 4.275 4.562 . 0 0 "[ . 1]" 1
398 1 60 VAL HA 1 61 SER QB 2.000 . 6.000 4.600 4.311 4.810 . 0 0 "[ . 1]" 1
399 1 60 VAL HA 1 63 ARG QD 2.000 . 7.000 7.054 6.390 7.287 0.287 3 0 "[ . 1]" 1
400 1 60 VAL HA 1 64 CYS H 2.000 . 6.300 4.310 4.057 4.541 . 0 0 "[ . 1]" 1
401 1 60 VAL HB 1 61 SER H 2.000 . 4.300 4.453 4.406 4.661 0.361 7 0 "[ . 1]" 1
402 1 60 VAL HB 1 63 ARG QD 2.000 . 7.000 7.070 6.947 7.247 0.247 7 0 "[ . 1]" 1
403 1 60 VAL MG1 1 61 SER HA 2.000 . 7.000 5.628 4.145 5.818 . 0 0 "[ . 1]" 1
404 1 60 VAL MG1 1 61 SER QB 2.000 . 8.000 5.727 5.075 5.974 . 0 0 "[ . 1]" 1
405 1 60 VAL MG1 1 71 LEU H 2.000 . 6.300 6.044 5.788 6.277 . 0 0 "[ . 1]" 1
406 1 60 VAL MG2 1 61 SER HA 2.000 . 6.000 4.152 3.964 4.569 . 0 0 "[ . 1]" 1
407 1 60 VAL MG2 1 61 SER QB 2.000 . 8.000 5.029 4.878 5.140 . 0 0 "[ . 1]" 1
408 1 60 VAL MG2 1 62 ASN HA 2.000 . 6.000 5.378 4.027 5.771 . 0 0 "[ . 1]" 1
409 1 60 VAL MG2 1 63 ARG QD 2.000 . 8.000 7.324 4.359 7.832 . 0 0 "[ . 1]" 1
410 1 60 VAL MG2 1 64 CYS H 2.000 . 6.300 4.807 2.120 5.436 . 0 0 "[ . 1]" 1
411 1 60 VAL MG2 1 71 LEU H 2.000 . 6.300 6.059 3.958 6.389 0.089 8 0 "[ . 1]" 1
412 1 61 SER H 1 62 ASN HA 2.000 . 6.300 5.394 5.369 5.419 . 0 0 "[ . 1]" 1
413 1 61 SER HA 1 62 ASN H 2.000 . 4.300 3.526 3.500 3.540 . 0 0 "[ . 1]" 1
414 1 61 SER HA 1 62 ASN QB 2.000 . 6.000 5.013 4.798 5.325 . 0 0 "[ . 1]" 1
415 1 61 SER HA 1 63 ARG H 2.000 . 5.300 5.450 5.402 5.534 0.234 8 0 "[ . 1]" 1
416 1 61 SER QB 1 62 ASN H 2.000 . 6.300 2.965 2.351 3.399 . 0 0 "[ . 1]" 1
417 1 61 SER QB 1 63 ARG H 2.000 . 5.300 4.658 4.026 5.157 . 0 0 "[ . 1]" 1
418 1 62 ASN H 1 63 ARG H 2.000 . 4.600 2.021 1.982 2.110 . 0 0 "[ . 1]" 1
419 1 62 ASN H 1 63 ARG QB 2.000 . 6.300 4.485 4.351 4.831 . 0 0 "[ . 1]" 1
420 1 62 ASN HA 1 63 ARG H 2.000 . 4.300 3.567 3.562 3.571 . 0 0 "[ . 1]" 1
421 1 62 ASN HA 1 71 LEU H 2.000 . 6.300 6.319 6.179 6.367 0.067 6 0 "[ . 1]" 1
422 1 62 ASN QB 1 63 ARG H 2.000 . 6.300 2.271 2.163 2.321 . 0 0 "[ . 1]" 1
423 1 62 ASN QB 1 71 LEU H 2.000 . 7.300 6.654 6.287 7.117 . 0 0 "[ . 1]" 1
424 1 63 ARG H 1 64 CYS H 2.000 . 5.600 4.374 4.332 4.424 . 0 0 "[ . 1]" 1
425 1 63 ARG H 1 71 LEU H 2.000 . 6.600 6.319 6.189 6.621 0.021 9 0 "[ . 1]" 1
426 1 63 ARG H 1 71 LEU MD1 2.000 . 7.300 5.624 4.324 7.301 0.001 2 0 "[ . 1]" 1
427 1 63 ARG H 1 71 LEU MD2 2.000 . 6.300 5.169 4.090 6.048 . 0 0 "[ . 1]" 1
428 1 63 ARG HA 1 64 CYS H 2.000 . 4.300 2.322 2.290 2.354 . 0 0 "[ . 1]" 1
429 1 63 ARG HA 1 71 LEU MD1 2.000 . 6.000 3.699 2.095 5.258 . 0 0 "[ . 1]" 1
430 1 63 ARG QB 1 64 CYS H 2.000 . 5.300 3.284 2.873 3.679 . 0 0 "[ . 1]" 1
431 1 63 ARG QB 1 70 PRO HA 2.000 . 6.000 3.672 2.823 4.157 . 0 0 "[ . 1]" 1
432 1 63 ARG QD 1 65 PRO HA 2.000 . 7.000 4.747 2.980 6.716 . 0 0 "[ . 1]" 1
433 1 63 ARG QG 1 70 PRO HA 2.000 . 6.000 2.873 1.999 5.109 . 0 0 "[ . 1]" 1
434 1 64 CYS H 1 67 CYS H 2.000 . 6.600 5.361 5.139 5.434 . 0 0 "[ . 1]" 1
435 1 64 CYS H 1 68 LYS H 2.000 . 5.600 5.585 5.350 5.729 0.129 5 0 "[ . 1]" 1
436 1 64 CYS H 1 69 MET H 2.000 . 5.600 4.640 4.472 4.753 . 0 0 "[ . 1]" 1
437 1 64 CYS H 1 70 PRO QB 2.000 . 6.300 6.056 5.355 6.282 . 0 0 "[ . 1]" 1
438 1 64 CYS H 1 71 LEU H 2.000 . 5.600 4.824 4.537 5.132 . 0 0 "[ . 1]" 1
439 1 64 CYS H 1 71 LEU QB 2.000 . 6.300 4.359 3.415 5.393 . 0 0 "[ . 1]" 1
440 1 64 CYS H 1 71 LEU MD1 2.000 . 6.300 3.834 2.176 5.016 . 0 0 "[ . 1]" 1
441 1 64 CYS H 1 71 LEU MD2 2.000 . 6.300 2.717 2.040 4.033 . 0 0 "[ . 1]" 1
442 1 64 CYS H 1 71 LEU HG 2.000 . 5.300 4.495 3.720 5.255 . 0 0 "[ . 1]" 1
443 1 64 CYS HA 1 69 MET H 2.000 . 6.300 6.154 6.060 6.325 0.025 5 0 "[ . 1]" 1
444 1 64 CYS QB 1 66 ILE H 2.000 . 6.300 4.158 4.034 4.251 . 0 0 "[ . 1]" 1
445 1 64 CYS QB 1 67 CYS H 2.000 . 6.300 2.965 2.829 3.062 . 0 0 "[ . 1]" 1
446 1 64 CYS QB 1 67 CYS QB 2.000 . 6.300 1.923 1.794 2.059 0.106 8 0 "[ . 1]" 1
447 1 64 CYS QB 1 68 LYS H 2.000 . 6.300 4.061 3.771 4.396 . 0 0 "[ . 1]" 1
448 1 64 CYS QB 1 69 MET H 2.000 . 6.300 3.845 3.674 4.098 . 0 0 "[ . 1]" 1
449 1 64 CYS QB 1 71 LEU H 2.000 . 6.300 5.989 5.672 6.307 0.007 4 0 "[ . 1]" 1
450 1 65 PRO HA 1 68 LYS H 2.000 . 5.300 3.723 3.634 3.932 . 0 0 "[ . 1]" 1
451 1 66 ILE H 1 67 CYS H 2.000 . 4.600 2.662 2.538 2.717 . 0 0 "[ . 1]" 1
452 1 66 ILE H 1 68 LYS H 2.000 . 4.600 3.875 3.811 3.963 . 0 0 "[ . 1]" 1
453 1 66 ILE HA 1 67 CYS H 2.000 . 5.300 3.577 3.551 3.592 . 0 0 "[ . 1]" 1
454 1 66 ILE HA 1 69 MET H 2.000 . 6.300 6.466 6.372 6.532 0.232 9 0 "[ . 1]" 1
455 1 66 ILE HB 1 67 CYS H 2.000 . 4.300 2.815 2.497 4.019 . 0 0 "[ . 1]" 1
456 1 66 ILE HB 1 68 LYS H 2.000 . 5.300 4.820 4.641 5.398 0.098 8 0 "[ . 1]" 1
457 1 66 ILE MD 1 67 CYS H 2.000 . 5.300 4.563 4.430 4.723 . 0 0 "[ . 1]" 1
458 1 66 ILE MD 1 68 LYS H 2.000 . 7.300 5.612 5.099 6.121 . 0 0 "[ . 1]" 1
459 1 66 ILE QG 1 67 CYS H 2.000 . 6.300 3.910 3.744 4.001 . 0 0 "[ . 1]" 1
460 1 66 ILE MG 1 67 CYS H 2.000 . 6.300 3.179 1.916 3.488 . 0 0 "[ . 1]" 1
461 1 66 ILE MG 1 68 LYS H 2.000 . 6.300 4.546 4.044 4.678 . 0 0 "[ . 1]" 1
462 1 67 CYS H 1 68 LYS H 2.000 . 4.600 2.652 2.602 2.696 . 0 0 "[ . 1]" 1
463 1 67 CYS H 1 68 LYS QD 2.000 . 7.300 6.424 5.270 7.204 . 0 0 "[ . 1]" 1
464 1 67 CYS H 1 68 LYS QG 2.000 . 6.300 5.342 4.244 6.239 . 0 0 "[ . 1]" 1
465 1 67 CYS H 1 69 MET H 2.000 . 5.600 4.301 4.217 4.392 . 0 0 "[ . 1]" 1
466 1 67 CYS HA 1 68 LYS H 2.000 . 5.300 3.468 3.440 3.489 . 0 0 "[ . 1]" 1
467 1 67 CYS QB 1 68 LYS H 2.000 . 5.300 3.025 2.945 3.141 . 0 0 "[ . 1]" 1
468 1 68 LYS H 1 69 MET H 2.000 . 4.600 2.733 2.660 2.776 . 0 0 "[ . 1]" 1
469 1 68 LYS HA 1 69 MET H 2.000 . 4.300 3.032 2.987 3.084 . 0 0 "[ . 1]" 1
470 1 68 LYS QG 1 69 MET H 2.000 . 6.300 4.515 4.435 4.597 . 0 0 "[ . 1]" 1
471 1 69 MET HA 1 70 PRO QD 2.000 . 7.000 2.014 1.965 2.078 . 0 0 "[ . 1]" 1
472 1 69 MET HA 1 70 PRO QG 2.000 . 6.000 3.949 3.903 4.017 . 0 0 "[ . 1]" 1
473 1 70 PRO HA 1 71 LEU H 2.000 . 4.300 2.328 2.267 2.381 . 0 0 "[ . 1]" 1
474 1 70 PRO QB 1 71 LEU H 2.000 . 5.300 2.877 2.766 3.054 . 0 0 "[ . 1]" 1
475 1 71 LEU QB 1 72 PRO HA 2.000 . 6.000 4.766 4.608 4.964 . 0 0 "[ . 1]" 1
476 1 71 LEU MD1 1 72 PRO HA 2.000 . 6.000 5.305 4.473 6.060 0.060 9 0 "[ . 1]" 1
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