NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484962 |
2jug   |
15442 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jug
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 1009
_Distance_constraint_stats_list.Viol_count 475
_Distance_constraint_stats_list.Viol_total 429.346
_Distance_constraint_stats_list.Viol_max 0.929
_Distance_constraint_stats_list.Viol_rms 0.0288
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0904
_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 GLY 0.000 0.000 . 0 "[ . 1]"
1 2 PRO 0.000 0.000 . 0 "[ . 1]"
1 3 LEU 0.000 0.000 . 0 "[ . 1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 6 SER 0.000 0.000 . 0 "[ . 1]"
1 7 ALA 0.000 0.000 . 0 "[ . 1]"
1 8 GLY 0.000 0.000 . 0 "[ . 1]"
1 9 ALA 0.000 0.000 . 0 "[ . 1]"
1 10 LEU 1.198 0.161 5 0 "[ . 1]"
1 11 LEU 0.000 0.000 . 0 "[ . 1]"
1 12 ALA 0.000 0.000 . 0 "[ . 1]"
1 13 HIS 2.614 0.347 2 0 "[ . 1]"
1 14 ALA 0.091 0.054 3 0 "[ . 1]"
1 15 ALA 0.179 0.034 1 0 "[ . 1]"
1 16 SER 0.122 0.033 2 0 "[ . 1]"
1 17 LEU 0.191 0.172 2 0 "[ . 1]"
1 18 GLY 1.219 0.210 4 0 "[ . 1]"
1 19 VAL 0.294 0.054 3 0 "[ . 1]"
1 20 ARG 2.296 0.395 1 0 "[ . 1]"
1 21 LEU 1.658 0.929 1 1 "[+ . 1]"
1 22 TRP 1.244 0.138 1 0 "[ . 1]"
1 23 VAL 0.660 0.131 1 0 "[ . 1]"
1 24 GLU 0.618 0.133 9 0 "[ . 1]"
1 25 GLY 0.023 0.023 7 0 "[ . 1]"
1 26 GLU 0.549 0.165 10 0 "[ . 1]"
1 27 ARG 1.977 0.231 6 0 "[ . 1]"
1 28 LEU 0.984 0.115 1 0 "[ . 1]"
1 29 ARG 1.329 0.131 1 0 "[ . 1]"
1 30 PHE 2.020 0.231 6 0 "[ . 1]"
1 31 GLN 0.195 0.102 5 0 "[ . 1]"
1 32 ALA 0.573 0.141 9 0 "[ . 1]"
1 33 PRO 1.198 0.173 3 0 "[ . 1]"
1 34 PRO 0.780 0.173 3 0 "[ . 1]"
1 35 GLY 0.000 0.000 . 0 "[ . 1]"
1 36 VAL 1.539 0.141 9 0 "[ . 1]"
1 37 MET 0.557 0.130 10 0 "[ . 1]"
1 38 THR 1.272 0.155 9 0 "[ . 1]"
1 39 PRO 0.000 0.000 . 0 "[ . 1]"
1 40 GLU 0.123 0.064 2 0 "[ . 1]"
1 41 LEU 3.266 0.302 2 0 "[ . 1]"
1 42 GLN 3.918 0.797 5 1 "[ + 1]"
1 43 SER 0.958 0.797 5 1 "[ + 1]"
1 44 ARG 1.001 0.192 10 0 "[ . 1]"
1 45 LEU 0.385 0.193 5 0 "[ . 1]"
1 46 GLY 0.000 0.000 . 0 "[ . 1]"
1 47 GLY 0.021 0.021 9 0 "[ . 1]"
1 48 ALA 1.730 0.773 1 1 "[+ . 1]"
1 49 ARG 3.463 0.251 1 0 "[ . 1]"
1 50 HIS 3.839 0.251 1 0 "[ . 1]"
1 51 GLU 3.531 0.773 1 1 "[+ . 1]"
1 52 LEU 3.616 0.320 8 0 "[ . 1]"
1 53 ILE 0.150 0.032 4 0 "[ . 1]"
1 54 ALA 0.030 0.030 3 0 "[ . 1]"
1 55 LEU 2.234 0.320 1 0 "[ . 1]"
1 56 LEU 9.550 0.929 1 2 "[+ -. 1]"
1 57 ARG 1.703 0.237 1 0 "[ . 1]"
1 58 GLN 4.562 0.311 4 0 "[ . 1]"
1 59 LEU 1.242 0.395 1 0 "[ . 1]"
1 60 GLN 1.343 0.157 1 0 "[ . 1]"
1 61 PRO 0.423 0.095 8 0 "[ . 1]"
1 62 SER 0.230 0.129 7 0 "[ . 1]"
1 63 SER 0.039 0.025 10 0 "[ . 1]"
1 64 GLN 0.404 0.099 4 0 "[ . 1]"
1 65 GLY 0.099 0.050 1 0 "[ . 1]"
1 66 GLY 0.247 0.099 4 0 "[ . 1]"
1 67 SER 0.000 0.000 . 0 "[ . 1]"
1 68 LEU 0.078 0.078 9 0 "[ . 1]"
1 69 LEU 0.336 0.092 6 0 "[ . 1]"
1 70 ALA 0.258 0.092 6 0 "[ . 1]"
1 71 PRO 1.206 0.152 4 0 "[ . 1]"
1 72 VAL 0.820 0.147 9 0 "[ . 1]"
1 73 ALA 0.546 0.152 4 0 "[ . 1]"
1 74 ARG 0.000 0.000 . 0 "[ . 1]"
1 75 ASN 0.786 0.182 9 0 "[ . 1]"
1 76 GLY 0.633 0.182 9 0 "[ . 1]"
1 77 ARG 0.421 0.177 9 0 "[ . 1]"
1 78 LEU 0.061 0.039 10 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 29 ARG H 1 29 ARG QB 3.000 . 3.800 2.381 2.231 2.595 . 0 0 "[ . 1]" 1
2 1 22 TRP H 1 22 TRP HE3 3.000 . 4.100 2.678 2.525 2.854 . 0 0 "[ . 1]" 1
3 1 22 TRP QB 1 22 TRP HE3 2.900 . 4.000 2.686 2.645 2.721 . 0 0 "[ . 1]" 1
4 1 22 TRP HA 1 22 TRP HE3 4.100 . 6.000 4.152 4.040 4.225 . 0 0 "[ . 1]" 1
5 1 13 HIS H 1 13 HIS HE1 4.400 . 6.000 6.125 6.048 6.347 0.347 2 0 "[ . 1]" 1
6 1 13 HIS QB 1 13 HIS HE1 3.200 . 4.500 4.406 4.337 4.433 . 0 0 "[ . 1]" 1
7 1 30 PHE HA 1 30 PHE QB 2.200 . 2.800 2.498 2.478 2.510 . 0 0 "[ . 1]" 1
8 1 21 LEU H 1 21 LEU HA 3.000 . 4.200 2.933 2.910 2.947 . 0 0 "[ . 1]" 1
9 1 20 ARG HA 1 20 ARG QB 2.600 . 3.400 2.341 2.293 2.405 . 0 0 "[ . 1]" 1
10 1 48 ALA H 1 48 ALA HA 2.400 . 3.100 2.884 2.848 2.919 . 0 0 "[ . 1]" 1
11 1 22 TRP HA 1 22 TRP QB 2.300 . 3.000 2.188 2.184 2.192 . 0 0 "[ . 1]" 1
12 1 22 TRP HA 1 22 TRP HD1 3.900 . 5.800 4.534 4.485 4.585 . 0 0 "[ . 1]" 1
13 1 19 VAL H 1 19 VAL HA 2.700 . 3.100 2.865 2.837 2.916 . 0 0 "[ . 1]" 1
14 1 33 PRO HA 1 33 PRO HD2 3.700 . 5.400 3.944 3.903 4.064 . 0 0 "[ . 1]" 1
15 1 33 PRO HA 1 33 PRO QB 2.400 . 3.100 2.211 2.178 2.223 . 0 0 "[ . 1]" 1
16 1 33 PRO HA 1 33 PRO HD3 2.400 . 6.000 3.747 3.631 3.839 . 0 0 "[ . 1]" 1
17 1 33 PRO HA 1 33 PRO QG 2.800 . 3.800 3.057 2.915 3.512 . 0 0 "[ . 1]" 1
18 1 34 PRO HA 1 34 PRO HD3 3.100 . 4.300 3.518 3.445 3.587 . 0 0 "[ . 1]" 1
19 1 34 PRO HA 1 34 PRO QB 2.400 . 3.100 2.173 2.170 2.177 . 0 0 "[ . 1]" 1
20 1 34 PRO HA 1 34 PRO QG 3.200 . 4.500 3.498 3.494 3.505 . 0 0 "[ . 1]" 1
21 1 50 HIS HA 1 50 HIS QB 2.200 . 2.800 2.181 2.162 2.188 . 0 0 "[ . 1]" 1
22 1 50 HIS H 1 50 HIS HA 2.600 . 3.500 2.799 2.769 2.821 . 0 0 "[ . 1]" 1
23 1 50 HIS H 1 50 HIS QB 2.800 . 3.600 2.690 2.653 2.728 . 0 0 "[ . 1]" 1
24 1 22 TRP QB 1 22 TRP HD1 2.700 . 3.600 2.546 2.534 2.553 . 0 0 "[ . 1]" 1
25 1 26 GLU HA 1 26 GLU QG 2.500 . 3.300 3.112 2.454 3.465 0.165 10 0 "[ . 1]" 1
26 1 26 GLU HA 1 26 GLU QB 2.600 . 3.400 2.247 2.154 2.389 . 0 0 "[ . 1]" 1
27 1 11 LEU HA 1 11 LEU QB 2.200 . 2.800 2.377 2.358 2.420 . 0 0 "[ . 1]" 1
28 1 45 LEU H 1 45 LEU HA 2.600 . 3.400 2.808 2.779 2.832 . 0 0 "[ . 1]" 1
29 1 45 LEU HA 1 45 LEU QB 2.200 . 2.800 2.377 2.336 2.413 . 0 0 "[ . 1]" 1
30 1 36 VAL H 1 36 VAL HA 2.600 . 3.400 2.878 2.840 2.934 . 0 0 "[ . 1]" 1
31 1 36 VAL HA 1 36 VAL HB 2.600 . 3.400 2.424 2.384 2.463 . 0 0 "[ . 1]" 1
32 1 21 LEU HA 1 21 LEU HG 2.600 . 3.400 2.454 2.363 2.573 . 0 0 "[ . 1]" 1
33 1 21 LEU HA 1 21 LEU QB 2.100 . 2.700 2.396 2.372 2.407 . 0 0 "[ . 1]" 1
34 1 21 LEU H 1 21 LEU QB 2.700 . 3.600 2.639 2.579 2.676 . 0 0 "[ . 1]" 1
35 1 29 ARG QB 1 29 ARG QD 3.300 . 4.600 2.489 2.256 2.794 . 0 0 "[ . 1]" 1
36 1 29 ARG HA 1 29 ARG HD3 3.500 . 5.100 3.706 3.355 3.902 . 0 0 "[ . 1]" 1
37 1 29 ARG HA 1 29 ARG HD2 2.600 . 3.400 2.412 2.226 2.822 . 0 0 "[ . 1]" 1
38 1 29 ARG HD3 1 29 ARG QG 2.400 . 3.100 2.283 2.162 2.416 . 0 0 "[ . 1]" 1
39 1 29 ARG HD2 1 29 ARG QG 2.500 . 3.300 2.334 2.264 2.390 . 0 0 "[ . 1]" 1
40 1 29 ARG QB 1 29 ARG HD3 3.100 . 4.300 2.854 2.362 3.500 . 0 0 "[ . 1]" 1
41 1 29 ARG QB 1 29 ARG HD2 3.400 . 4.800 2.918 2.635 3.115 . 0 0 "[ . 1]" 1
42 1 29 ARG H 1 29 ARG HD3 3.500 . 5.000 3.678 2.834 4.491 . 0 0 "[ . 1]" 1
43 1 29 ARG H 1 29 ARG HD2 3.400 . 4.800 3.393 2.961 3.931 . 0 0 "[ . 1]" 1
44 1 29 ARG HA 1 29 ARG QD 3.100 . 4.300 2.378 2.208 2.759 . 0 0 "[ . 1]" 1
45 1 22 TRP H 1 22 TRP HZ3 4.900 . 6.000 4.379 4.251 4.568 . 0 0 "[ . 1]" 1
46 1 22 TRP HB3 1 22 TRP HZ3 3.900 . 5.800 5.072 5.027 5.107 . 0 0 "[ . 1]" 1
47 1 29 ARG HA 1 29 ARG QG 3.000 . 4.100 2.656 2.306 3.110 . 0 0 "[ . 1]" 1
48 1 29 ARG H 1 29 ARG QG 3.200 . 4.500 3.223 2.112 3.990 . 0 0 "[ . 1]" 1
49 1 33 PRO HD2 1 33 PRO QG 2.300 . 3.000 2.229 2.162 2.253 . 0 0 "[ . 1]" 1
50 1 33 PRO QB 1 33 PRO HD3 3.300 . 4.600 3.427 3.024 3.530 . 0 0 "[ . 1]" 1
51 1 33 PRO QB 1 33 PRO HD2 3.500 . 5.000 2.963 2.796 3.505 . 0 0 "[ . 1]" 1
52 1 33 PRO HD3 1 33 PRO QG 2.000 . 2.500 2.192 2.184 2.210 . 0 0 "[ . 1]" 1
53 1 34 PRO HD3 1 34 PRO QG 2.300 . 3.000 2.232 2.222 2.238 . 0 0 "[ . 1]" 1
54 1 34 PRO QB 1 34 PRO HD3 2.400 . 3.100 2.948 2.923 2.992 . 0 0 "[ . 1]" 1
55 1 34 PRO HD2 1 34 PRO QG 2.100 . 2.600 2.180 2.176 2.184 . 0 0 "[ . 1]" 1
56 1 37 MET HA 1 37 MET QB 2.500 . 3.300 2.412 2.388 2.429 . 0 0 "[ . 1]" 1
57 1 37 MET HA 1 37 MET QG 3.200 . 4.500 2.775 2.564 3.082 . 0 0 "[ . 1]" 1
58 1 37 MET H 1 37 MET HA 2.800 . 3.300 2.885 2.878 2.896 . 0 0 "[ . 1]" 1
59 1 38 THR H 1 38 THR HB . . 4.400 3.577 3.564 3.602 . 0 0 "[ . 1]" 1
60 1 39 PRO HA 1 39 PRO QG 2.300 . 3.000 2.850 2.808 2.898 . 0 0 "[ . 1]" 1
61 1 39 PRO HA 1 39 PRO QB 2.300 . 3.000 2.233 2.227 2.240 . 0 0 "[ . 1]" 1
62 1 39 PRO HA 1 39 PRO QD 3.500 . 5.000 3.333 3.287 3.367 . 0 0 "[ . 1]" 1
63 1 43 SER H 1 43 SER QB 2.200 . 2.800 2.252 2.214 2.278 . 0 0 "[ . 1]" 1
64 1 43 SER H 1 43 SER HA 2.300 . 3.000 2.836 2.802 2.853 . 0 0 "[ . 1]" 1
65 1 49 ARG H 1 49 ARG QD 4.000 . 6.000 3.474 1.865 4.088 0.135 10 0 "[ . 1]" 1
66 1 52 LEU HA 1 52 LEU QB 2.600 . 3.500 2.375 2.355 2.406 . 0 0 "[ . 1]" 1
67 1 52 LEU H 1 52 LEU HA 2.300 . 3.000 2.828 2.815 2.841 . 0 0 "[ . 1]" 1
68 1 53 ILE H 1 53 ILE HA 2.600 . 3.500 2.805 2.782 2.820 . 0 0 "[ . 1]" 1
69 1 10 LEU H 1 10 LEU HA 2.600 . 3.400 2.820 2.806 2.836 . 0 0 "[ . 1]" 1
70 1 10 LEU HA 1 10 LEU QB 1.900 . 2.300 2.292 2.272 2.315 0.015 2 0 "[ . 1]" 1
71 1 57 ARG H 1 57 ARG HA 2.400 . 3.100 2.791 2.741 2.832 . 0 0 "[ . 1]" 1
72 1 37 MET H 1 37 MET QB 2.300 . 2.800 2.297 2.274 2.321 . 0 0 "[ . 1]" 1
73 1 64 GLN QB 1 64 GLN HE22 3.600 . 5.200 3.835 3.225 4.385 . 0 0 "[ . 1]" 1
74 1 64 GLN HE21 1 64 GLN QG 3.800 . 5.600 2.381 2.149 2.795 . 0 0 "[ . 1]" 1
75 1 60 GLN QB 1 60 GLN HE22 4.800 . 6.000 3.634 3.234 4.073 . 0 0 "[ . 1]" 1
76 1 51 GLU H 1 51 GLU QB 2.800 . 3.300 2.101 2.034 2.590 . 0 0 "[ . 1]" 1
77 1 64 GLN HA 1 64 GLN QG 3.000 . 4.100 2.720 2.182 3.533 . 0 0 "[ . 1]" 1
78 1 64 GLN HA 1 64 GLN QB 2.600 . 3.500 2.377 2.177 2.515 . 0 0 "[ . 1]" 1
79 1 41 LEU H 1 41 LEU QB 2.600 . 3.000 2.262 2.235 2.291 . 0 0 "[ . 1]" 1
80 1 41 LEU QB 1 41 LEU HG 2.500 . 3.300 2.524 2.496 2.538 . 0 0 "[ . 1]" 1
81 1 52 LEU QB 1 52 LEU HG 2.400 . 3.100 2.340 2.318 2.370 . 0 0 "[ . 1]" 1
82 1 52 LEU H 1 52 LEU QB 2.400 . 2.800 2.445 2.384 2.485 . 0 0 "[ . 1]" 1
83 1 42 GLN HA 1 42 GLN QG 2.400 . 3.100 2.886 2.522 3.061 . 0 0 "[ . 1]" 1
84 1 42 GLN HA 1 42 GLN QB 2.200 . 2.800 2.335 2.282 2.389 . 0 0 "[ . 1]" 1
85 1 42 GLN HA 1 42 GLN HE22 3.900 . 5.800 3.574 3.166 5.076 . 0 0 "[ . 1]" 1
86 1 42 GLN H 1 42 GLN HA 2.700 . 3.600 2.786 2.771 2.822 . 0 0 "[ . 1]" 1
87 1 42 GLN QB 1 42 GLN HE22 3.900 . 5.800 3.791 3.407 4.364 . 0 0 "[ . 1]" 1
88 1 42 GLN QB 1 42 GLN HE21 4.200 . 5.400 2.886 1.877 3.961 0.123 10 0 "[ . 1]" 1
89 1 42 GLN H 1 42 GLN QB 2.300 . 2.800 2.261 2.194 2.647 . 0 0 "[ . 1]" 1
90 1 42 GLN HE21 1 42 GLN QG 3.200 . 4.100 2.448 2.136 2.855 . 0 0 "[ . 1]" 1
91 1 42 GLN HE22 1 42 GLN QG 3.600 . 5.100 3.363 3.215 3.502 . 0 0 "[ . 1]" 1
92 1 42 GLN H 1 42 GLN QG 4.100 . 4.700 3.789 2.071 4.020 . 0 0 "[ . 1]" 1
93 1 14 ALA H 1 14 ALA HA 2.600 . 3.500 2.859 2.842 2.880 . 0 0 "[ . 1]" 1
94 1 58 GLN HA 1 58 GLN HE21 4.300 . 6.000 5.702 4.584 5.942 . 0 0 "[ . 1]" 1
95 1 22 TRP QB 1 22 TRP HH2 4.500 . 6.000 6.006 5.980 6.020 0.020 10 0 "[ . 1]" 1
96 1 17 LEU H 1 17 LEU HG 2.500 . 2.800 2.453 2.164 2.781 . 0 0 "[ . 1]" 1
97 1 8 GLY H 1 8 GLY HA3 2.700 . 3.300 2.287 2.282 2.293 . 0 0 "[ . 1]" 1
98 1 54 ALA H 1 54 ALA HA 2.500 . 3.300 2.843 2.829 2.861 . 0 0 "[ . 1]" 1
99 1 55 LEU H 1 55 LEU HA 2.400 . 3.100 2.845 2.828 2.863 . 0 0 "[ . 1]" 1
100 1 12 ALA H 1 12 ALA HA 2.600 . 3.400 2.791 2.776 2.804 . 0 0 "[ . 1]" 1
101 1 28 LEU H 1 28 LEU HA 2.700 . 3.600 2.859 2.833 2.890 . 0 0 "[ . 1]" 1
102 1 28 LEU HA 1 28 LEU QB 2.500 . 3.300 2.393 2.366 2.410 . 0 0 "[ . 1]" 1
103 1 13 HIS H 1 13 HIS HA 2.600 . 3.500 2.857 2.844 2.871 . 0 0 "[ . 1]" 1
104 1 13 HIS HA 1 13 HIS HD2 4.400 . 6.000 4.603 3.383 4.808 . 0 0 "[ . 1]" 1
105 1 41 LEU H 1 41 LEU HA 2.800 . 3.600 2.824 2.799 2.855 . 0 0 "[ . 1]" 1
106 1 51 GLU H 1 51 GLU HA 2.600 . 3.400 2.828 2.802 2.865 . 0 0 "[ . 1]" 1
107 1 49 ARG H 1 49 ARG HA 2.500 . 3.300 2.836 2.822 2.850 . 0 0 "[ . 1]" 1
108 1 13 HIS H 1 13 HIS QB 2.400 . 2.800 2.305 2.005 2.377 . 0 0 "[ . 1]" 1
109 1 13 HIS HA 1 13 HIS QB 2.300 . 2.900 2.164 2.158 2.185 . 0 0 "[ . 1]" 1
110 1 16 SER H 1 16 SER QB 2.300 . 2.900 2.379 2.232 2.620 . 0 0 "[ . 1]" 1
111 1 17 LEU HA 1 17 LEU QB 2.600 . 3.400 2.364 2.328 2.419 . 0 0 "[ . 1]" 1
112 1 17 LEU H 1 17 LEU QB 2.600 . 3.100 2.432 2.297 2.495 . 0 0 "[ . 1]" 1
113 1 40 GLU HA 1 40 GLU QG 2.600 . 3.400 2.730 2.355 3.414 0.014 2 0 "[ . 1]" 1
114 1 40 GLU HA 1 40 GLU QB 2.200 . 2.800 2.327 2.168 2.397 . 0 0 "[ . 1]" 1
115 1 41 LEU HA 1 41 LEU QB 2.200 . 2.800 2.389 2.357 2.405 . 0 0 "[ . 1]" 1
116 1 41 LEU HA 1 41 LEU HG 2.000 . 2.500 2.441 2.338 2.578 0.078 8 0 "[ . 1]" 1
117 1 44 ARG HA 1 44 ARG QB 2.000 . 2.500 2.357 2.331 2.397 . 0 0 "[ . 1]" 1
118 1 49 ARG HA 1 49 ARG QD 4.500 . 6.000 4.305 3.730 4.511 . 0 0 "[ . 1]" 1
119 1 49 ARG HA 1 49 ARG QB 2.100 . 2.700 2.170 2.165 2.178 . 0 0 "[ . 1]" 1
120 1 49 ARG HA 1 49 ARG QG 3.000 . 4.200 3.341 3.330 3.383 . 0 0 "[ . 1]" 1
121 1 53 ILE HA 1 53 ILE HB 2.900 . 4.000 3.024 3.019 3.031 . 0 0 "[ . 1]" 1
122 1 53 ILE H 1 53 ILE HB 2.300 . 2.700 2.489 2.444 2.540 . 0 0 "[ . 1]" 1
123 1 51 GLU HA 1 51 GLU QG 2.500 . 3.300 2.502 2.286 3.394 0.094 1 0 "[ . 1]" 1
124 1 51 GLU HA 1 51 GLU QB 2.200 . 2.800 2.498 2.175 2.540 . 0 0 "[ . 1]" 1
125 1 10 LEU H 1 10 LEU QB 2.200 . 2.800 2.202 2.182 2.217 . 0 0 "[ . 1]" 1
126 1 58 GLN H 1 58 GLN QB 2.500 . 3.300 2.262 2.132 2.562 . 0 0 "[ . 1]" 1
127 1 58 GLN QB 1 58 GLN HE21 4.200 . 5.300 3.500 1.806 3.815 0.194 3 0 "[ . 1]" 1
128 1 58 GLN QB 1 58 GLN HE22 4.700 . 5.800 3.953 3.212 4.122 . 0 0 "[ . 1]" 1
129 1 75 ASN H 1 75 ASN QB 3.300 . 4.600 2.954 2.240 3.338 . 0 0 "[ . 1]" 1
130 1 41 LEU H 1 41 LEU HG 4.000 . 6.000 4.435 4.414 4.453 . 0 0 "[ . 1]" 1
131 1 17 LEU HA 1 17 LEU HG 2.900 . 4.000 3.153 3.101 3.233 . 0 0 "[ . 1]" 1
132 1 19 VAL H 1 19 VAL HB 2.400 . 3.100 2.578 2.518 2.633 . 0 0 "[ . 1]" 1
133 1 19 VAL HA 1 19 VAL HB 2.700 . 3.600 3.030 3.020 3.035 . 0 0 "[ . 1]" 1
134 1 21 LEU H 1 21 LEU HG 2.700 . 6.000 4.013 3.961 4.049 . 0 0 "[ . 1]" 1
135 1 44 ARG HA 1 44 ARG QG 2.300 . 3.000 2.805 2.348 3.038 0.038 2 0 "[ . 1]" 1
136 1 56 LEU HA 1 56 LEU QB 2.300 . 3.000 2.268 2.163 2.498 . 0 0 "[ . 1]" 1
137 1 23 VAL HA 1 23 VAL HB 2.500 . 3.300 2.424 2.411 2.435 . 0 0 "[ . 1]" 1
138 1 23 VAL H 1 23 VAL HB 2.500 . 3.300 2.857 2.765 2.957 . 0 0 "[ . 1]" 1
139 1 24 GLU HA 1 24 GLU QG 2.800 . 3.800 2.613 2.362 3.011 . 0 0 "[ . 1]" 1
140 1 24 GLU H 1 24 GLU QG 4.200 . 6.000 4.122 4.045 4.205 . 0 0 "[ . 1]" 1
141 1 24 GLU H 1 24 GLU QB 2.500 . 3.100 2.513 2.429 2.598 . 0 0 "[ . 1]" 1
142 1 24 GLU HA 1 24 GLU QB 2.500 . 3.300 2.398 2.342 2.472 . 0 0 "[ . 1]" 1
143 1 26 GLU H 1 26 GLU QB 3.300 . 3.800 2.722 2.378 3.090 . 0 0 "[ . 1]" 1
144 1 26 GLU H 1 26 GLU QG 3.800 . 5.600 2.811 2.105 4.086 . 0 0 "[ . 1]" 1
145 1 27 ARG H 1 27 ARG HA 2.800 . 3.800 2.937 2.914 2.948 . 0 0 "[ . 1]" 1
146 1 27 ARG HA 1 27 ARG QD 2.900 . 3.900 2.086 1.847 3.347 0.053 2 0 "[ . 1]" 1
147 1 27 ARG H 1 27 ARG QB 2.900 . 3.900 2.490 2.331 2.650 . 0 0 "[ . 1]" 1
148 1 27 ARG QB 1 27 ARG QD 3.100 . 4.300 2.726 2.234 2.864 . 0 0 "[ . 1]" 1
149 1 27 ARG H 1 27 ARG QG 3.100 . 4.300 4.202 3.994 4.317 0.017 5 0 "[ . 1]" 1
150 1 28 LEU H 1 28 LEU QB 2.700 . 2.900 2.219 2.183 2.235 . 0 0 "[ . 1]" 1
151 1 28 LEU H 1 28 LEU HG 4.000 . 5.400 4.517 4.434 4.592 . 0 0 "[ . 1]" 1
152 1 28 LEU HA 1 28 LEU HG 2.900 . 3.900 3.113 2.451 3.746 . 0 0 "[ . 1]" 1
153 1 53 ILE H 1 53 ILE HG13 2.600 . 3.400 2.243 2.110 2.349 . 0 0 "[ . 1]" 1
154 1 53 ILE H 1 53 ILE HG12 3.400 . 4.800 3.506 3.396 3.597 . 0 0 "[ . 1]" 1
155 1 53 ILE HA 1 53 ILE HG13 2.900 . 4.000 2.931 2.888 2.982 . 0 0 "[ . 1]" 1
156 1 49 ARG QB 1 49 ARG QG 2.400 . 3.100 2.073 2.022 2.085 . 0 0 "[ . 1]" 1
157 1 57 ARG HA 1 57 ARG QG 2.500 . 3.300 2.480 2.300 2.977 . 0 0 "[ . 1]" 1
158 1 57 ARG H 1 57 ARG QG 3.400 . 4.500 3.661 2.327 4.063 . 0 0 "[ . 1]" 1
159 1 20 ARG H 1 20 ARG QG 3.200 . 4.500 2.789 2.402 3.509 . 0 0 "[ . 1]" 1
160 1 20 ARG HA 1 20 ARG QG 3.100 . 4.300 2.504 2.265 2.629 . 0 0 "[ . 1]" 1
161 1 44 ARG H 1 44 ARG QG 2.500 . 2.800 2.236 2.072 2.456 . 0 0 "[ . 1]" 1
162 1 44 ARG QD 1 44 ARG QG 2.300 . 3.000 2.065 2.007 2.090 . 0 0 "[ . 1]" 1
163 1 72 VAL H 1 72 VAL HB 3.000 . 4.100 2.785 2.496 3.253 . 0 0 "[ . 1]" 1
164 1 72 VAL HA 1 72 VAL HB 2.900 . 4.000 2.460 2.385 2.720 . 0 0 "[ . 1]" 1
165 1 37 MET QB 1 37 MET QG 2.700 . 3.600 1.990 1.944 2.019 . 0 0 "[ . 1]" 1
166 1 37 MET H 1 37 MET QG 4.300 . 6.000 4.084 4.053 4.113 . 0 0 "[ . 1]" 1
167 1 58 GLN HE21 1 58 GLN QG 3.100 . 4.300 2.232 2.139 2.784 . 0 0 "[ . 1]" 1
168 1 58 GLN H 1 58 GLN QG 2.800 . 3.800 2.654 2.016 2.956 . 0 0 "[ . 1]" 1
169 1 58 GLN HA 1 58 GLN QG 3.100 . 4.300 3.205 2.495 3.382 . 0 0 "[ . 1]" 1
170 1 20 ARG H 1 20 ARG QB 2.700 . 2.700 2.623 2.453 2.724 0.024 3 0 "[ . 1]" 1
171 1 20 ARG QB 1 20 ARG QD 2.600 . 3.400 2.138 2.063 2.333 . 0 0 "[ . 1]" 1
172 1 20 ARG H 1 20 ARG QD 4.000 . 6.000 3.914 2.450 4.371 . 0 0 "[ . 1]" 1
173 1 20 ARG HA 1 20 ARG QD 4.600 . 6.000 4.022 3.424 4.221 . 0 0 "[ . 1]" 1
174 1 2 PRO QB 1 2 PRO HD2 2.800 . 3.800 3.137 2.869 3.522 . 0 0 "[ . 1]" 1
175 1 2 PRO QB 1 2 PRO HD3 2.800 . 3.800 3.324 2.895 3.549 . 0 0 "[ . 1]" 1
176 1 62 SER HA 1 62 SER QB 2.900 . 3.900 2.321 2.179 2.407 . 0 0 "[ . 1]" 1
177 1 6 SER HA 1 6 SER QB 2.400 . 3.100 2.317 2.180 2.429 . 0 0 "[ . 1]" 1
178 1 11 LEU H 1 11 LEU HA 2.500 . 3.300 2.797 2.787 2.814 . 0 0 "[ . 1]" 1
179 1 11 LEU HA 1 11 LEU HG 3.100 . 4.300 3.656 3.139 3.721 . 0 0 "[ . 1]" 1
180 1 11 LEU H 1 11 LEU HG 3.400 . 4.800 4.290 2.166 4.549 . 0 0 "[ . 1]" 1
181 1 45 LEU H 1 45 LEU HG 2.400 . 3.100 2.226 2.014 2.379 . 0 0 "[ . 1]" 1
182 1 56 LEU HA 1 56 LEU HG 3.000 . 4.100 3.462 3.371 3.705 . 0 0 "[ . 1]" 1
183 1 56 LEU H 1 56 LEU HG 2.700 . 3.600 3.919 3.820 4.214 0.614 4 1 "[ +. 1]" 1
184 1 56 LEU QB 1 56 LEU HG 2.100 . 2.600 2.276 2.064 2.370 . 0 0 "[ . 1]" 1
185 1 56 LEU H 1 56 LEU QB . . 2.200 1.989 1.764 2.274 0.074 1 0 "[ . 1]" 1
186 1 55 LEU HA 1 55 LEU QB 1.900 . 2.400 2.429 2.385 2.528 0.128 7 0 "[ . 1]" 1
187 1 45 LEU HA 1 45 LEU HG 2.700 . 3.600 3.060 2.939 3.146 . 0 0 "[ . 1]" 1
188 1 18 GLY H 1 18 GLY HA2 2.300 . 3.000 2.325 2.296 2.379 . 0 0 "[ . 1]" 1
189 1 18 GLY H 1 18 GLY HA3 2.600 . 3.500 2.895 2.871 2.929 . 0 0 "[ . 1]" 1
190 1 31 GLN H 1 31 GLN QB 2.500 . 3.300 2.553 2.393 2.762 . 0 0 "[ . 1]" 1
191 1 31 GLN HA 1 31 GLN QB 2.500 . 3.300 2.365 2.320 2.396 . 0 0 "[ . 1]" 1
192 1 31 GLN H 1 31 GLN QG 4.100 . 5.600 4.133 3.995 4.277 . 0 0 "[ . 1]" 1
193 1 31 GLN HA 1 31 GLN QG 3.100 . 4.300 2.930 2.813 3.073 . 0 0 "[ . 1]" 1
194 1 17 LEU H 1 17 LEU HA 2.600 . 3.400 2.889 2.863 2.929 . 0 0 "[ . 1]" 1
195 1 45 LEU H 1 45 LEU QB 2.800 . 2.900 2.484 2.402 2.541 . 0 0 "[ . 1]" 1
196 1 57 ARG H 1 57 ARG QB 2.100 . 2.600 2.257 2.185 2.448 . 0 0 "[ . 1]" 1
197 1 44 ARG H 1 44 ARG QB 2.500 . 3.300 2.474 2.383 2.561 . 0 0 "[ . 1]" 1
198 1 49 ARG QB 1 49 ARG QD 2.300 . 3.000 2.204 2.051 2.376 . 0 0 "[ . 1]" 1
199 1 49 ARG QD 1 49 ARG QG 2.200 . 2.800 2.032 1.990 2.083 . 0 0 "[ . 1]" 1
200 1 57 ARG QB 1 57 ARG QD 2.200 . 2.800 2.339 2.112 2.878 0.078 1 0 "[ . 1]" 1
201 1 49 ARG H 1 49 ARG QG 2.400 . 3.100 1.936 1.758 2.259 0.042 3 0 "[ . 1]" 1
202 1 50 HIS H 1 50 HIS HE1 4.800 . 6.000 4.827 4.708 4.926 . 0 0 "[ . 1]" 1
203 1 52 LEU H 1 52 LEU HG 2.600 . 3.400 2.364 2.267 2.553 . 0 0 "[ . 1]" 1
204 1 52 LEU HA 1 52 LEU HG 2.800 . 3.800 3.139 3.075 3.198 . 0 0 "[ . 1]" 1
205 1 58 GLN H 1 58 GLN HA 2.500 . 3.300 2.809 2.777 2.839 . 0 0 "[ . 1]" 1
206 1 58 GLN HA 1 58 GLN QB 2.300 . 2.900 2.184 2.155 2.353 . 0 0 "[ . 1]" 1
207 1 46 GLY H 1 46 GLY HA2 . . 3.100 2.322 2.318 2.329 . 0 0 "[ . 1]" 1
208 1 4 GLY H 1 4 GLY QA 4.700 . 5.200 2.381 2.209 2.501 . 0 0 "[ . 1]" 1
209 1 69 LEU H 1 69 LEU HA 2.700 . 3.300 2.841 2.266 2.946 . 0 0 "[ . 1]" 1
210 1 77 ARG HA 1 77 ARG QB 3.400 . 4.800 2.320 2.180 2.394 . 0 0 "[ . 1]" 1
211 1 77 ARG HA 1 77 ARG QG 3.700 . 5.400 2.689 2.370 3.349 . 0 0 "[ . 1]" 1
212 1 63 SER HA 1 63 SER QB 3.100 . 4.300 2.332 2.188 2.400 . 0 0 "[ . 1]" 1
213 1 27 ARG HA 1 27 ARG QG 3.400 . 4.800 2.790 2.332 3.080 . 0 0 "[ . 1]" 1
214 1 49 ARG H 1 49 ARG QB . . 3.100 2.600 2.533 2.661 . 0 0 "[ . 1]" 1
215 1 47 GLY H 1 47 GLY HA2 . . 2.700 2.300 2.296 2.306 . 0 0 "[ . 1]" 1
216 1 61 PRO HD3 1 61 PRO QG 3.200 . 4.500 2.193 2.178 2.245 . 0 0 "[ . 1]" 1
217 1 60 GLN HA 1 60 GLN HE21 5.100 . 6.000 4.203 1.697 4.779 0.103 1 0 "[ . 1]" 1
218 1 40 GLU H 1 40 GLU QG 4.900 . 5.400 3.663 2.127 4.031 . 0 0 "[ . 1]" 1
219 1 60 GLN HA 1 60 GLN QG 3.200 . 4.500 2.486 2.378 2.961 . 0 0 "[ . 1]" 1
220 1 60 GLN QB 1 60 GLN QG 3.000 . 4.100 2.066 1.989 2.089 . 0 0 "[ . 1]" 1
221 1 60 GLN HE21 1 60 GLN QG 3.100 . 4.100 2.432 2.156 2.817 . 0 0 "[ . 1]" 1
222 1 57 ARG HA 1 57 ARG QD 3.500 . 5.100 3.895 2.084 4.251 . 0 0 "[ . 1]" 1
223 1 44 ARG HA 1 44 ARG HD3 3.500 . 5.000 3.023 1.937 4.609 0.063 8 0 "[ . 1]" 1
224 1 44 ARG H 1 44 ARG HD3 4.700 . 6.000 4.010 3.275 4.897 . 0 0 "[ . 1]" 1
225 1 44 ARG H 1 44 ARG HD2 4.600 . 6.000 4.392 3.706 4.817 . 0 0 "[ . 1]" 1
226 1 27 ARG H 1 27 ARG QD 4.700 . 6.000 4.482 4.271 4.590 . 0 0 "[ . 1]" 1
227 1 57 ARG H 1 57 ARG QD 4.500 . 6.000 4.473 3.835 4.760 . 0 0 "[ . 1]" 1
228 1 44 ARG QB 1 44 ARG HD3 2.700 . 3.600 2.751 2.367 3.464 . 0 0 "[ . 1]" 1
229 1 44 ARG HD3 1 44 ARG QG 3.000 . 4.100 2.337 2.168 2.415 . 0 0 "[ . 1]" 1
230 1 55 LEU H 1 55 LEU QB 2.900 . 2.900 2.169 2.035 2.213 . 0 0 "[ . 1]" 1
231 1 78 LEU H 1 78 LEU QB 3.500 . 5.000 2.764 2.263 3.305 . 0 0 "[ . 1]" 1
232 1 78 LEU HA 1 78 LEU QB 3.100 . 4.300 2.350 2.153 2.450 . 0 0 "[ . 1]" 1
233 1 16 SER HA 1 16 SER QB 2.500 . 3.300 2.341 2.181 2.426 . 0 0 "[ . 1]" 1
234 1 16 SER H 1 16 SER HA 2.900 . 3.500 2.818 2.793 2.833 . 0 0 "[ . 1]" 1
235 1 10 LEU H 1 10 LEU HG 4.300 . 6.000 4.380 4.339 4.411 . 0 0 "[ . 1]" 1
236 1 10 LEU HA 1 10 LEU HG 3.700 . 5.400 3.241 3.178 3.283 . 0 0 "[ . 1]" 1
237 1 11 LEU H 1 11 LEU QB . . 2.800 2.209 2.148 2.501 . 0 0 "[ . 1]" 1
238 1 34 PRO QB 1 34 PRO HD2 3.800 . 5.600 3.528 3.523 3.533 . 0 0 "[ . 1]" 1
239 1 36 VAL H 1 36 VAL HB 3.400 . 3.800 3.655 3.625 3.716 . 0 0 "[ . 1]" 1
240 1 40 GLU QB 1 40 GLU QG 2.200 . 2.800 2.060 1.986 2.088 . 0 0 "[ . 1]" 1
241 1 40 GLU H 1 40 GLU QB . . 3.400 2.311 2.227 2.566 . 0 0 "[ . 1]" 1
242 1 44 ARG H 1 44 ARG HA . . 3.000 2.855 2.821 2.878 . 0 0 "[ . 1]" 1
243 1 43 SER HA 1 43 SER QB 2.500 . 3.300 2.387 2.357 2.445 . 0 0 "[ . 1]" 1
244 1 44 ARG HA 1 44 ARG QD 3.600 . 5.300 2.718 1.891 4.168 0.009 10 0 "[ . 1]" 1
245 1 10 LEU QB 1 10 LEU HG 2.600 . 3.500 2.385 2.362 2.397 . 0 0 "[ . 1]" 1
246 1 51 GLU H 1 51 GLU QG 4.300 . 4.800 3.767 2.681 3.984 . 0 0 "[ . 1]" 1
247 1 51 GLU QB 1 51 GLU QG 3.000 . 4.100 1.990 1.954 1.998 . 0 0 "[ . 1]" 1
248 1 53 ILE HA 1 53 ILE HG12 3.300 . 4.700 2.496 2.463 2.566 . 0 0 "[ . 1]" 1
249 1 56 LEU H 1 56 LEU HA 3.000 . 3.600 2.844 2.780 2.871 . 0 0 "[ . 1]" 1
250 1 60 GLN H 1 60 GLN QB 3.700 . 4.000 2.394 2.234 2.519 . 0 0 "[ . 1]" 1
251 1 71 PRO QB 1 71 PRO QD 4.400 . 6.000 2.840 2.783 2.925 . 0 0 "[ . 1]" 1
252 1 69 LEU H 1 69 LEU QB . . 3.400 2.824 2.203 3.339 . 0 0 "[ . 1]" 1
253 1 71 PRO HA 1 71 PRO HD3 4.400 . 6.000 3.921 3.788 3.994 . 0 0 "[ . 1]" 1
254 1 74 ARG HA 1 74 ARG QB 3.100 . 4.300 2.303 2.169 2.469 . 0 0 "[ . 1]" 1
255 1 74 ARG QB 1 74 ARG QD 3.900 . 5.800 2.393 2.119 2.889 . 0 0 "[ . 1]" 1
256 1 21 LEU HA 1 22 TRP HE3 2.900 . 4.000 2.847 2.757 2.945 . 0 0 "[ . 1]" 1
257 1 21 LEU H 1 22 TRP HE3 3.800 . 5.600 3.400 3.220 3.643 . 0 0 "[ . 1]" 1
258 1 21 LEU QB 1 22 TRP HE3 4.300 . 6.000 4.429 4.281 4.630 . 0 0 "[ . 1]" 1
259 1 21 LEU HA 1 22 TRP HZ3 3.800 . 5.600 3.812 3.632 3.960 . 0 0 "[ . 1]" 1
260 1 49 ARG HG2 1 50 HIS HE1 4.500 . 6.000 6.115 6.026 6.251 0.251 1 0 "[ . 1]" 1
261 1 19 VAL HB 1 20 ARG HA 3.100 . 6.000 4.765 4.680 4.897 . 0 0 "[ . 1]" 1
262 1 47 GLY HA3 1 48 ALA HA 3.400 . 4.900 4.493 4.474 4.510 . 0 0 "[ . 1]" 1
263 1 21 LEU HA 1 22 TRP HA 4.300 . 6.000 4.385 4.339 4.414 . 0 0 "[ . 1]" 1
264 1 31 GLN HB3 1 32 ALA HA 2.500 . 6.000 4.774 4.630 4.933 . 0 0 "[ . 1]" 1
265 1 49 ARG QG 1 50 HIS HA 3.500 . 5.000 3.442 3.210 3.714 . 0 0 "[ . 1]" 1
266 1 8 GLY HA3 1 9 ALA HA 3.400 . 4.900 4.361 4.313 4.395 . 0 0 "[ . 1]" 1
267 1 8 GLY HA2 1 9 ALA HA 3.800 . 5.600 4.784 4.730 4.822 . 0 0 "[ . 1]" 1
268 1 20 ARG H 1 21 LEU HG 3.500 . 5.000 4.878 4.698 5.085 0.085 4 0 "[ . 1]" 1
269 1 28 LEU HA 1 29 ARG QG 4.500 . 6.000 4.640 3.356 5.503 . 0 0 "[ . 1]" 1
270 1 32 ALA HA 1 33 PRO HD2 2.700 . 3.600 2.426 2.115 2.608 . 0 0 "[ . 1]" 1
271 1 33 PRO HA 1 34 PRO QG 4.200 . 6.000 4.016 3.951 4.079 . 0 0 "[ . 1]" 1
272 1 32 ALA HA 1 33 PRO QG 4.600 . 6.000 3.777 3.687 3.875 . 0 0 "[ . 1]" 1
273 1 33 PRO QB 1 34 PRO HD2 2.700 . 3.600 2.271 2.150 2.421 . 0 0 "[ . 1]" 1
274 1 33 PRO HA 1 34 PRO HD3 2.300 . 3.000 2.351 2.296 2.413 . 0 0 "[ . 1]" 1
275 1 33 PRO HA 1 34 PRO HD2 2.200 . 2.800 2.383 2.273 2.488 . 0 0 "[ . 1]" 1
276 1 37 MET HB3 1 38 THR HA 2.600 . 6.000 4.638 4.533 4.769 . 0 0 "[ . 1]" 1
277 1 38 THR HA 1 39 PRO QG 4.400 . 6.000 3.840 3.811 3.881 . 0 0 "[ . 1]" 1
278 1 38 THR HB 1 39 PRO QG 4.300 . 6.000 4.475 4.385 4.547 . 0 0 "[ . 1]" 1
279 1 38 THR HB 1 39 PRO QB 4.500 . 6.000 4.503 4.449 4.562 . 0 0 "[ . 1]" 1
280 1 38 THR H 1 39 PRO QD 4.700 . 6.000 4.343 4.314 4.362 . 0 0 "[ . 1]" 1
281 1 38 THR HB 1 39 PRO HA 4.500 . 6.000 5.035 5.000 5.065 . 0 0 "[ . 1]" 1
282 1 42 GLN H 1 43 SER QB 4.600 . 6.000 4.461 4.299 4.556 . 0 0 "[ . 1]" 1
283 1 42 GLN HG3 1 43 SER QB 3.500 . 5.100 4.653 4.256 5.193 0.093 5 0 "[ . 1]" 1
284 1 15 ALA H 1 16 SER HA 4.800 . 6.000 5.215 5.173 5.249 . 0 0 "[ . 1]" 1
285 1 44 ARG HA 1 45 LEU HA 3.700 . 5.400 4.836 4.793 4.895 . 0 0 "[ . 1]" 1
286 1 51 GLU HG3 1 52 LEU HA 3.400 . 4.900 5.070 4.575 5.220 0.320 8 0 "[ . 1]" 1
287 1 52 LEU HA 1 53 ILE HA 3.400 . 4.800 4.814 4.796 4.832 0.032 4 0 "[ . 1]" 1
288 1 51 GLU H 1 52 LEU QB 4.400 . 6.000 4.627 4.481 4.771 . 0 0 "[ . 1]" 1
289 1 41 LEU HG 1 42 GLN HA 3.600 . 5.300 4.488 3.885 5.016 . 0 0 "[ . 1]" 1
290 1 41 LEU H 1 42 GLN HA 5.000 . 6.000 5.207 5.081 5.327 . 0 0 "[ . 1]" 1
291 1 41 LEU HB2 1 42 GLN HG2 3.700 . 6.000 5.991 3.794 6.302 0.302 2 0 "[ . 1]" 1
292 1 13 HIS H 1 14 ALA HA 5.100 . 6.000 5.135 5.093 5.182 . 0 0 "[ . 1]" 1
293 1 29 ARG QB 1 30 PHE HA 4.000 . 6.000 4.234 4.131 4.354 . 0 0 "[ . 1]" 1
294 1 30 PHE HA 1 31 GLN QB 4.000 . 6.000 4.079 4.012 4.129 . 0 0 "[ . 1]" 1
295 1 54 ALA H 1 55 LEU HA 5.300 . 6.000 5.129 5.052 5.183 . 0 0 "[ . 1]" 1
296 1 14 ALA HA 1 15 ALA HA 4.000 . 6.000 4.782 4.738 4.813 . 0 0 "[ . 1]" 1
297 1 12 ALA H 1 13 HIS QB 4.400 . 6.000 4.826 4.380 4.946 . 0 0 "[ . 1]" 1
298 1 15 ALA H 1 16 SER QB 4.600 . 6.000 4.545 4.310 4.925 . 0 0 "[ . 1]" 1
299 1 13 HIS HB2 1 14 ALA HA 4.200 . 6.000 5.138 5.025 5.695 . 0 0 "[ . 1]" 1
300 1 40 GLU QG 1 41 LEU HA 3.600 . 5.200 3.641 3.371 3.966 . 0 0 "[ . 1]" 1
301 1 52 LEU QB 1 53 ILE HB 4.600 . 6.000 5.044 4.892 5.085 . 0 0 "[ . 1]" 1
302 1 50 HIS HB2 1 51 GLU HA 3.700 . 5.400 4.316 4.135 4.443 . 0 0 "[ . 1]" 1
303 1 57 ARG HA 1 58 GLN QB 4.400 . 6.000 5.324 5.273 5.382 . 0 0 "[ . 1]" 1
304 1 16 SER H 1 17 LEU HG 4.500 . 6.000 4.486 4.241 4.715 . 0 0 "[ . 1]" 1
305 1 18 GLY HA3 1 19 VAL HA 4.300 . 6.000 4.603 4.540 4.670 . 0 0 "[ . 1]" 1
306 1 24 GLU HA 1 25 GLY HA2 4.700 . 6.000 4.375 4.360 4.385 . 0 0 "[ . 1]" 1
307 1 20 ARG HA 1 21 LEU HA 5.400 . 6.000 4.418 4.351 4.451 . 0 0 "[ . 1]" 1
308 1 20 ARG HA 1 21 LEU QB 4.900 . 6.000 4.411 4.320 4.525 . 0 0 "[ . 1]" 1
309 1 20 ARG HA 1 21 LEU HG 4.300 . 6.000 5.117 5.043 5.205 . 0 0 "[ . 1]" 1
310 1 22 TRP HA 1 23 VAL HB 4.300 . 6.000 4.549 4.408 4.672 . 0 0 "[ . 1]" 1
311 1 24 GLU QG 1 25 GLY HA2 3.800 . 5.600 4.626 4.240 5.623 0.023 7 0 "[ . 1]" 1
312 1 24 GLU QG 1 25 GLY HA3 3.600 . 5.200 3.917 3.551 5.114 . 0 0 "[ . 1]" 1
313 1 26 GLU QG 1 27 ARG HA 4.000 . 6.000 4.186 3.179 5.862 . 0 0 "[ . 1]" 1
314 1 52 LEU HA 1 53 ILE HG13 4.900 . 6.000 5.523 5.415 5.579 . 0 0 "[ . 1]" 1
315 1 56 LEU H 1 57 ARG QG 4.700 . 6.000 5.686 4.234 6.153 0.153 4 0 "[ . 1]" 1
316 1 71 PRO HA 1 72 VAL HB 4.500 . 6.000 5.092 4.310 5.649 . 0 0 "[ . 1]" 1
317 1 57 ARG H 1 58 GLN QG 4.800 . 6.000 4.623 4.014 4.938 . 0 0 "[ . 1]" 1
318 1 57 ARG HA 1 58 GLN QG 3.700 . 5.400 5.330 5.010 5.486 0.086 9 0 "[ . 1]" 1
319 1 57 ARG QB 1 58 GLN HG2 2.700 . 6.000 5.366 4.644 5.700 . 0 0 "[ . 1]" 1
320 1 19 VAL HA 1 20 ARG QB 4.500 . 6.000 4.431 4.318 4.495 . 0 0 "[ . 1]" 1
321 1 1 GLY QA 1 2 PRO HD3 2.500 . 3.300 2.115 1.772 2.552 . 0 0 "[ . 1]" 1
322 1 53 ILE HA 1 54 ALA HA 4.700 . 6.000 4.757 4.733 4.774 . 0 0 "[ . 1]" 1
323 1 55 LEU H 1 56 LEU HG 4.000 . 6.000 6.158 6.101 6.299 0.299 1 0 "[ . 1]" 1
324 1 17 LEU H 1 18 GLY HA2 4.900 . 6.000 4.608 4.389 4.734 . 0 0 "[ . 1]" 1
325 1 17 LEU H 1 18 GLY HA3 4.700 . 6.000 4.985 4.801 5.103 . 0 0 "[ . 1]" 1
326 1 70 ALA HA 1 71 PRO HD3 2.200 . 2.800 1.984 1.676 2.436 . 0 0 "[ . 1]" 1
327 1 57 ARG H 1 58 GLN HA 4.600 . 6.000 5.265 5.102 5.450 . 0 0 "[ . 1]" 1
328 1 57 ARG HB3 1 58 GLN HA 2.600 . 6.000 4.362 4.235 4.535 . 0 0 "[ . 1]" 1
329 1 75 ASN HB3 1 76 GLY HA3 5.000 . 6.000 5.249 4.330 6.106 0.106 8 0 "[ . 1]" 1
330 1 45 LEU H 1 46 GLY HA3 6.000 . 6.000 5.079 4.974 5.195 . 0 0 "[ . 1]" 1
331 1 34 PRO HB2 1 35 GLY HA3 4.200 . 6.000 4.227 4.116 4.289 . 0 0 "[ . 1]" 1
332 1 34 PRO HB2 1 35 GLY HA2 5.000 . 6.000 4.685 4.648 4.778 . 0 0 "[ . 1]" 1
333 1 70 ALA H 1 71 PRO HD2 6.000 . 6.000 4.837 3.901 5.388 . 0 0 "[ . 1]" 1
334 1 70 ALA H 1 71 PRO HD3 5.100 . 6.000 3.746 2.283 4.479 . 0 0 "[ . 1]" 1
335 1 60 GLN H 1 61 PRO HD3 5.800 . 6.000 4.460 4.041 4.820 . 0 0 "[ . 1]" 1
336 1 60 GLN HA 1 61 PRO HD3 2.900 . 3.900 1.960 1.805 2.404 0.095 8 0 "[ . 1]" 1
337 1 60 GLN QG 1 61 PRO HD3 5.100 . 6.000 3.902 3.555 4.598 . 0 0 "[ . 1]" 1
338 1 57 ARG H 1 58 GLN QB 6.000 . 6.000 4.577 4.341 4.895 . 0 0 "[ . 1]" 1
339 1 63 SER QB 1 64 GLN HG2 4.100 . 6.000 5.253 3.939 6.025 0.025 10 0 "[ . 1]" 1
340 1 54 ALA H 1 55 LEU QB 5.700 . 6.000 4.185 4.033 4.352 . 0 0 "[ . 1]" 1
341 1 16 SER H 1 17 LEU QB 6.000 . 6.000 4.728 4.543 4.878 . 0 0 "[ . 1]" 1
342 1 42 GLN HB3 1 43 SER HA 4.100 . 6.000 4.415 4.234 4.589 . 0 0 "[ . 1]" 1
343 1 42 GLN HG3 1 43 SER HA 4.100 . 6.000 3.963 3.508 6.003 0.003 5 0 "[ . 1]" 1
344 1 32 ALA HA 1 33 PRO HA 6.000 . 6.000 4.477 4.451 4.518 . 0 0 "[ . 1]" 1
345 1 33 PRO HA 1 34 PRO QB 5.600 . 6.000 4.655 4.627 4.688 . 0 0 "[ . 1]" 1
346 1 36 VAL HB 1 37 MET HA 3.800 . 5.600 4.527 4.468 4.617 . 0 0 "[ . 1]" 1
347 1 41 LEU HG 1 42 GLN QB 5.600 . 6.000 5.504 4.947 5.851 . 0 0 "[ . 1]" 1
348 1 42 GLN HB3 1 43 SER QB 3.700 . 5.500 4.144 3.838 5.085 . 0 0 "[ . 1]" 1
349 1 44 ARG H 1 45 LEU HA 5.600 . 6.000 5.178 5.104 5.266 . 0 0 "[ . 1]" 1
350 1 44 ARG QB 1 45 LEU HA 3.900 . 5.800 3.982 3.837 4.100 . 0 0 "[ . 1]" 1
351 1 44 ARG H 1 45 LEU HG 5.300 . 6.000 4.275 4.119 4.506 . 0 0 "[ . 1]" 1
352 1 49 ARG HB2 1 50 HIS QB 4.300 . 6.000 5.001 4.840 5.173 . 0 0 "[ . 1]" 1
353 1 50 HIS QB 1 51 GLU HB2 6.000 . 6.000 4.770 4.533 4.854 . 0 0 "[ . 1]" 1
354 1 51 GLU H 1 52 LEU HG 5.000 . 6.000 4.397 4.294 4.493 . 0 0 "[ . 1]" 1
355 1 53 ILE H 1 54 ALA HA 4.700 . 6.000 5.343 5.288 5.381 . 0 0 "[ . 1]" 1
356 1 54 ALA HA 1 55 LEU QB 3.700 . 5.400 5.126 5.072 5.253 . 0 0 "[ . 1]" 1
357 1 56 LEU H 1 57 ARG HA 5.700 . 6.000 5.030 4.952 5.232 . 0 0 "[ . 1]" 1
358 1 71 PRO HB2 1 72 VAL HA 3.900 . 5.800 4.594 4.324 4.797 . 0 0 "[ . 1]" 1
359 1 30 PHE QB 1 31 GLN H 3.300 . 4.400 3.576 3.327 3.699 . 0 0 "[ . 1]" 1
360 1 22 TRP HD1 1 23 VAL H 3.200 . 4.500 4.232 3.950 4.445 . 0 0 "[ . 1]" 1
361 1 13 HIS HE1 1 14 ALA H 3.900 . 5.800 5.113 4.948 5.490 . 0 0 "[ . 1]" 1
362 1 13 HIS HE1 1 14 ALA HA 3.600 . 5.200 4.492 4.108 4.836 . 0 0 "[ . 1]" 1
363 1 50 HIS HE1 1 51 GLU QG 4.500 . 6.000 4.104 3.772 4.588 . 0 0 "[ . 1]" 1
364 1 30 PHE HA 1 31 GLN H 2.200 . 2.800 2.184 2.145 2.298 . 0 0 "[ . 1]" 1
365 1 21 LEU HA 1 22 TRP H 2.200 . 2.800 2.145 2.083 2.181 . 0 0 "[ . 1]" 1
366 1 20 ARG HA 1 21 LEU H 2.600 . 3.300 2.184 2.100 2.233 . 0 0 "[ . 1]" 1
367 1 48 ALA HA 1 49 ARG QB 4.200 . 6.000 4.359 4.280 4.449 . 0 0 "[ . 1]" 1
368 1 48 ALA HA 1 49 ARG HA 3.700 . 5.400 4.235 4.179 4.300 . 0 0 "[ . 1]" 1
369 1 22 TRP HA 1 23 VAL H 2.100 . 2.700 2.249 2.175 2.343 . 0 0 "[ . 1]" 1
370 1 32 ALA HA 1 33 PRO QB 4.800 . 6.000 4.611 4.554 4.640 . 0 0 "[ . 1]" 1
371 1 32 ALA HA 1 33 PRO HD3 1.900 . 2.400 1.980 1.811 2.250 . 0 0 "[ . 1]" 1
372 1 19 VAL HA 1 20 ARG H 2.100 . 2.700 2.169 2.128 2.228 . 0 0 "[ . 1]" 1
373 1 34 PRO HA 1 35 GLY H 3.400 . 4.800 2.141 2.131 2.154 . 0 0 "[ . 1]" 1
374 1 50 HIS HA 1 51 GLU H 3.200 . 4.500 3.485 3.454 3.569 . 0 0 "[ . 1]" 1
375 1 50 HIS QB 1 51 GLU H 2.800 . 3.800 3.407 3.240 3.482 . 0 0 "[ . 1]" 1
376 1 50 HIS QB 1 51 GLU HA 4.000 . 6.000 4.184 4.029 4.290 . 0 0 "[ . 1]" 1
377 1 22 TRP QB 1 23 VAL H 2.800 . 3.800 2.869 2.694 3.061 . 0 0 "[ . 1]" 1
378 1 22 TRP QB 1 23 VAL HB 4.400 . 6.000 5.421 5.326 5.579 . 0 0 "[ . 1]" 1
379 1 26 GLU HA 1 27 ARG H 2.900 . 4.000 3.379 3.268 3.494 . 0 0 "[ . 1]" 1
380 1 9 ALA HA 1 10 LEU H 2.000 . 6.000 3.540 3.530 3.553 . 0 0 "[ . 1]" 1
381 1 11 LEU HA 1 12 ALA H 3.100 . 4.300 3.551 3.537 3.568 . 0 0 "[ . 1]" 1
382 1 45 LEU HA 1 46 GLY H 3.300 . 3.600 3.525 3.468 3.552 . 0 0 "[ . 1]" 1
383 1 36 VAL HA 1 37 MET H 3.300 . 3.600 3.362 3.300 3.407 . 0 0 "[ . 1]" 1
384 1 21 LEU HG 1 22 TRP HZ3 4.100 . 6.000 5.485 5.220 5.602 . 0 0 "[ . 1]" 1
385 1 21 LEU QB 1 22 TRP H 3.400 . 3.900 3.171 2.979 3.293 . 0 0 "[ . 1]" 1
386 1 29 ARG HA 1 30 PHE H 3.200 . 4.000 2.190 2.163 2.246 . 0 0 "[ . 1]" 1
387 1 33 PRO HA 1 34 PRO HA 3.400 . 4.900 4.377 4.331 4.406 . 0 0 "[ . 1]" 1
388 1 33 PRO HD2 1 34 PRO HD3 5.600 . 6.000 6.078 6.032 6.173 0.173 3 0 "[ . 1]" 1
389 1 33 PRO QB 1 34 PRO HD3 3.500 . 5.000 3.465 3.338 3.620 . 0 0 "[ . 1]" 1
390 1 39 PRO QD 1 40 GLU H 3.300 . 3.800 2.897 2.746 3.044 . 0 0 "[ . 1]" 1
391 1 15 ALA HA 1 16 SER H 3.300 . 4.300 3.518 3.493 3.535 . 0 0 "[ . 1]" 1
392 1 28 LEU HA 1 29 ARG QB 5.000 . 6.000 4.302 4.091 4.556 . 0 0 "[ . 1]" 1
393 1 37 MET HA 1 38 THR H 2.400 . 3.100 3.000 2.960 3.024 . 0 0 "[ . 1]" 1
394 1 38 THR HA 1 39 PRO QD 2.400 . 3.100 1.931 1.902 1.966 . 0 0 "[ . 1]" 1
395 1 39 PRO QG 1 40 GLU H 4.800 . 6.000 3.884 3.811 3.973 . 0 0 "[ . 1]" 1
396 1 39 PRO QB 1 40 GLU H 3.500 . 3.600 2.630 2.494 2.788 . 0 0 "[ . 1]" 1
397 1 39 PRO HA 1 40 GLU H 3.600 . 5.000 3.551 3.530 3.574 . 0 0 "[ . 1]" 1
398 1 43 SER QB 1 44 ARG H 2.700 . 3.600 2.814 2.741 2.900 . 0 0 "[ . 1]" 1
399 1 43 SER QB 1 44 ARG HD2 5.400 . 6.000 4.403 3.838 5.469 . 0 0 "[ . 1]" 1
400 1 43 SER QB 1 44 ARG HB2 3.400 . 4.800 4.716 4.602 4.844 0.044 2 0 "[ . 1]" 1
401 1 43 SER QB 1 44 ARG QG 3.800 . 5.600 3.416 3.114 3.620 . 0 0 "[ . 1]" 1
402 1 48 ALA HA 1 49 ARG H 2.500 . 3.300 2.287 2.227 2.318 . 0 0 "[ . 1]" 1
403 1 56 LEU HA 1 57 ARG H 3.100 . 4.300 3.499 3.474 3.525 . 0 0 "[ . 1]" 1
404 1 53 ILE HA 1 54 ALA H 3.400 . 4.900 3.552 3.505 3.576 . 0 0 "[ . 1]" 1
405 1 10 LEU HA 1 11 LEU H 2.800 . 3.800 3.532 3.522 3.550 . 0 0 "[ . 1]" 1
406 1 57 ARG HA 1 58 GLN H 2.800 . 3.800 3.479 3.440 3.521 . 0 0 "[ . 1]" 1
407 1 64 GLN QB 1 65 GLY H 2.800 . 3.800 2.858 1.751 3.850 0.050 1 0 "[ . 1]" 1
408 1 64 GLN HA 1 65 GLY H 3.200 . 4.500 2.957 2.114 3.563 . 0 0 "[ . 1]" 1
409 1 74 ARG HA 1 75 ASN H 3.100 . 4.300 2.752 2.108 3.480 . 0 0 "[ . 1]" 1
410 1 67 SER HA 1 68 LEU H 3.000 . 3.600 2.636 2.133 3.411 . 0 0 "[ . 1]" 1
411 1 67 SER HA 1 68 LEU QB 4.000 . 6.000 4.529 4.104 5.177 . 0 0 "[ . 1]" 1
412 1 67 SER QB 1 68 LEU QB 4.100 . 6.000 4.731 4.013 5.390 . 0 0 "[ . 1]" 1
413 1 67 SER QB 1 68 LEU H 4.500 . 5.800 3.681 3.347 4.035 . 0 0 "[ . 1]" 1
414 1 68 LEU QB 1 69 LEU H 2.900 . 3.900 3.185 1.921 3.978 0.078 9 0 "[ . 1]" 1
415 1 41 LEU QB 1 42 GLN HA 4.500 . 6.000 3.942 3.811 4.089 . 0 0 "[ . 1]" 1
416 1 41 LEU QB 1 42 GLN H 2.800 . 3.800 2.416 2.282 2.588 . 0 0 "[ . 1]" 1
417 1 52 LEU QB 1 53 ILE HA 3.600 . 5.200 4.034 3.989 4.088 . 0 0 "[ . 1]" 1
418 1 42 GLN HA 1 43 SER HA 3.900 . 5.800 4.753 4.712 4.784 . 0 0 "[ . 1]" 1
419 1 42 GLN HA 1 43 SER QB 4.300 . 6.000 5.196 5.151 5.216 . 0 0 "[ . 1]" 1
420 1 42 GLN HA 1 43 SER H 3.100 . 4.300 3.522 3.491 3.539 . 0 0 "[ . 1]" 1
421 1 42 GLN QB 1 43 SER H 2.600 . 3.300 2.588 2.486 2.698 . 0 0 "[ . 1]" 1
422 1 42 GLN QG 1 43 SER HA 3.300 . 4.700 3.842 3.449 5.497 0.797 5 1 "[ + 1]" 1
423 1 42 GLN QG 1 43 SER HB2 4.500 . 6.000 4.470 4.109 4.999 . 0 0 "[ . 1]" 1
424 1 42 GLN QG 1 43 SER H 3.800 . 4.600 3.572 3.396 3.715 . 0 0 "[ . 1]" 1
425 1 14 ALA HA 1 15 ALA H 3.300 . 4.300 3.539 3.519 3.555 . 0 0 "[ . 1]" 1
426 1 30 PHE HA 1 31 GLN HA 5.100 . 6.000 4.423 4.393 4.501 . 0 0 "[ . 1]" 1
427 1 30 PHE HA 1 31 GLN QG 6.000 . 6.000 5.890 5.820 5.953 . 0 0 "[ . 1]" 1
428 1 8 GLY HA2 1 9 ALA H 3.800 . 5.200 3.540 3.528 3.553 . 0 0 "[ . 1]" 1
429 1 8 GLY HA3 1 9 ALA H 3.300 . 4.000 2.791 2.737 2.834 . 0 0 "[ . 1]" 1
430 1 54 ALA HA 1 55 LEU H 3.100 . 3.800 3.458 3.429 3.496 . 0 0 "[ . 1]" 1
431 1 55 LEU HA 1 56 LEU H 3.000 . 4.100 3.504 3.464 3.535 . 0 0 "[ . 1]" 1
432 1 11 LEU QB 1 12 ALA H 2.700 . 3.400 2.422 2.307 2.509 . 0 0 "[ . 1]" 1
433 1 12 ALA HA 1 13 HIS H 3.100 . 4.300 3.584 3.541 3.598 . 0 0 "[ . 1]" 1
434 1 28 LEU HA 1 29 ARG H 2.000 . 2.500 2.151 2.131 2.163 . 0 0 "[ . 1]" 1
435 1 13 HIS HA 1 14 ALA H 3.200 . 4.500 3.481 3.471 3.489 . 0 0 "[ . 1]" 1
436 1 41 LEU HA 1 42 GLN H 2.900 . 3.900 3.512 3.482 3.547 . 0 0 "[ . 1]" 1
437 1 40 GLU HA 1 41 LEU H 3.500 . 5.000 3.543 3.490 3.569 . 0 0 "[ . 1]" 1
438 1 51 GLU HA 1 52 LEU H 3.100 . 4.300 3.519 3.511 3.534 . 0 0 "[ . 1]" 1
439 1 49 ARG HA 1 50 HIS H 2.400 . 6.000 3.564 3.552 3.583 . 0 0 "[ . 1]" 1
440 1 13 HIS QB 1 14 ALA H 3.000 . 3.700 3.541 3.035 3.618 . 0 0 "[ . 1]" 1
441 1 13 HIS QB 1 14 ALA HA 4.900 . 6.000 4.730 4.690 4.768 . 0 0 "[ . 1]" 1
442 1 16 SER QB 1 17 LEU H 3.000 . 4.100 2.843 2.528 3.638 . 0 0 "[ . 1]" 1
443 1 53 ILE HB 1 54 ALA HA 3.800 . 5.600 4.421 4.279 4.492 . 0 0 "[ . 1]" 1
444 1 53 ILE HB 1 54 ALA H 2.500 . 3.000 2.505 2.359 2.621 . 0 0 "[ . 1]" 1
445 1 56 LEU QB 1 57 ARG H 3.400 . 4.500 2.751 2.299 3.030 . 0 0 "[ . 1]" 1
446 1 75 ASN QB 1 76 GLY H 3.200 . 4.500 2.623 1.818 3.756 0.182 9 0 "[ . 1]" 1
447 1 70 ALA HA 1 71 PRO QD 2.000 . 2.500 1.880 1.662 2.130 . 0 0 "[ . 1]" 1
448 1 19 VAL HB 1 20 ARG H 3.600 . 5.200 4.231 4.071 4.344 . 0 0 "[ . 1]" 1
449 1 25 GLY HA2 1 26 GLU H 3.700 . 5.000 3.399 3.337 3.482 . 0 0 "[ . 1]" 1
450 1 21 LEU HA 1 22 TRP QB 4.900 . 6.000 4.376 4.291 4.449 . 0 0 "[ . 1]" 1
451 1 21 LEU QB 1 22 TRP HA 3.800 . 5.600 3.961 3.877 4.077 . 0 0 "[ . 1]" 1
452 1 21 LEU HG 1 22 TRP HE3 5.100 . 6.000 5.185 5.046 5.344 . 0 0 "[ . 1]" 1
453 1 23 VAL HA 1 24 GLU H 2.300 . 2.500 2.132 2.115 2.160 . 0 0 "[ . 1]" 1
454 1 25 GLY HA2 1 26 GLU HA 3.900 . 5.800 4.507 4.474 4.542 . 0 0 "[ . 1]" 1
455 1 26 GLU HG3 1 27 ARG H 3.600 . 5.300 4.064 2.544 5.341 0.041 8 0 "[ . 1]" 1
456 1 27 ARG HA 1 28 LEU H 2.100 . 2.700 2.145 2.088 2.238 . 0 0 "[ . 1]" 1
457 1 27 ARG HA 1 28 LEU QB 4.300 . 6.000 3.996 3.877 4.076 . 0 0 "[ . 1]" 1
458 1 27 ARG QB 1 28 LEU H 3.600 . 4.700 3.575 3.340 3.872 . 0 0 "[ . 1]" 1
459 1 27 ARG QG 1 28 LEU H 2.800 . 3.700 2.707 2.213 3.480 . 0 0 "[ . 1]" 1
460 1 28 LEU QB 1 29 ARG H 4.000 . 5.200 3.797 3.730 3.872 . 0 0 "[ . 1]" 1
461 1 28 LEU HG 1 29 ARG H 3.300 . 4.700 3.936 2.827 4.805 0.105 9 0 "[ . 1]" 1
462 1 53 ILE HG13 1 54 ALA H 4.700 . 6.000 4.298 4.174 4.386 . 0 0 "[ . 1]" 1
463 1 53 ILE HG12 1 54 ALA H 4.400 . 6.000 4.959 4.875 5.030 . 0 0 "[ . 1]" 1
464 1 49 ARG QG 1 50 HIS H 3.000 . 4.000 1.883 1.674 2.061 0.226 10 0 "[ . 1]" 1
465 1 41 LEU HG 1 42 GLN H 3.600 . 5.200 4.243 3.880 4.522 . 0 0 "[ . 1]" 1
466 1 57 ARG QG 1 58 GLN H 3.900 . 5.000 3.974 3.623 4.386 . 0 0 "[ . 1]" 1
467 1 20 ARG QG 1 21 LEU H 4.600 . 6.000 4.225 3.938 4.462 . 0 0 "[ . 1]" 1
468 1 44 ARG QG 1 45 LEU H 3.700 . 5.400 3.978 3.799 4.209 . 0 0 "[ . 1]" 1
469 1 72 VAL HB 1 73 ALA H 4.500 . 6.000 4.225 3.692 4.487 . 0 0 "[ . 1]" 1
470 1 37 MET QG 1 38 THR H 3.500 . 5.000 4.560 4.443 4.718 . 0 0 "[ . 1]" 1
471 1 20 ARG QB 1 21 LEU H 3.700 . 5.400 3.149 3.045 3.309 . 0 0 "[ . 1]" 1
472 1 20 ARG QD 1 21 LEU H 4.000 . 6.000 5.326 5.028 5.699 . 0 0 "[ . 1]" 1
473 1 1 GLY QA 1 2 PRO QD 2.300 . 2.900 1.953 1.751 2.085 . 0 0 "[ . 1]" 1
474 1 1 GLY QA 1 2 PRO QB 4.800 . 6.000 4.338 4.225 4.457 . 0 0 "[ . 1]" 1
475 1 6 SER QB 1 7 ALA H 4.700 . 6.000 3.360 2.433 4.034 . 0 0 "[ . 1]" 1
476 1 63 SER QB 1 64 GLN HE22 5.800 . 6.000 5.198 3.011 5.980 . 0 0 "[ . 1]" 1
477 1 11 LEU HG 1 12 ALA H 3.800 . 5.600 4.752 4.144 4.873 . 0 0 "[ . 1]" 1
478 1 56 LEU HG 1 57 ARG H 3.300 . 4.700 3.636 3.003 4.937 0.237 1 0 "[ . 1]" 1
479 1 31 GLN QB 1 32 ALA HA 4.300 . 6.000 4.559 4.447 4.671 . 0 0 "[ . 1]" 1
480 1 31 GLN QG 1 32 ALA H 3.800 . 5.600 3.344 3.072 3.570 . 0 0 "[ . 1]" 1
481 1 31 GLN QG 1 32 ALA HA 4.500 . 6.000 3.710 3.491 4.000 . 0 0 "[ . 1]" 1
482 1 17 LEU HA 1 18 GLY H 2.800 . 3.800 3.452 3.440 3.471 . 0 0 "[ . 1]" 1
483 1 17 LEU HA 1 18 GLY HA3 3.700 . 5.400 4.521 4.484 4.587 . 0 0 "[ . 1]" 1
484 1 45 LEU QB 1 46 GLY H 3.000 . 3.300 2.502 2.382 2.804 . 0 0 "[ . 1]" 1
485 1 57 ARG QB 1 58 GLN H 2.900 . 3.500 2.857 2.730 3.001 . 0 0 "[ . 1]" 1
486 1 49 ARG HD3 1 50 HIS HD2 4.300 . 6.000 4.835 3.948 5.616 . 0 0 "[ . 1]" 1
487 1 49 ARG HD3 1 50 HIS HA 4.600 . 6.000 5.919 5.397 6.242 0.242 9 0 "[ . 1]" 1
488 1 50 HIS HE1 1 51 GLU HA 5.300 . 6.000 4.820 4.478 5.530 . 0 0 "[ . 1]" 1
489 1 50 HIS HE1 1 51 GLU H . . 3.900 3.845 3.778 3.902 0.002 1 0 "[ . 1]" 1
490 1 76 GLY HA3 1 77 ARG QG 5.900 . 6.000 5.481 4.490 6.149 0.149 2 0 "[ . 1]" 1
491 1 73 ALA HA 1 74 ARG QB 5.500 . 6.000 4.591 4.044 5.514 . 0 0 "[ . 1]" 1
492 1 63 SER QB 1 64 GLN QB 6.000 . 6.000 5.018 4.474 5.401 . 0 0 "[ . 1]" 1
493 1 45 LEU HG 1 46 GLY H 5.200 . 6.000 4.282 4.068 4.399 . 0 0 "[ . 1]" 1
494 1 47 GLY HA2 1 48 ALA HA 5.200 . 6.000 4.655 4.520 4.733 . 0 0 "[ . 1]" 1
495 1 47 GLY HA3 1 48 ALA H 4.000 . 4.100 3.438 3.385 3.512 . 0 0 "[ . 1]" 1
496 1 47 GLY HA2 1 48 ALA H . . 3.400 3.061 2.898 3.137 . 0 0 "[ . 1]" 1
497 1 3 LEU HA 1 4 GLY H 4.500 . 5.200 2.829 2.132 3.545 . 0 0 "[ . 1]" 1
498 1 26 GLU QB 1 27 ARG H . . 3.900 3.511 2.902 3.893 . 0 0 "[ . 1]" 1
499 1 40 GLU QG 1 41 LEU H 4.300 . 5.000 3.326 1.955 3.965 0.045 9 0 "[ . 1]" 1
500 1 44 ARG HD3 1 45 LEU H 4.100 . 6.000 5.418 5.020 6.192 0.192 10 0 "[ . 1]" 1
501 1 57 ARG QD 1 58 GLN H 3.600 . 5.200 5.104 4.760 5.306 0.106 8 0 "[ . 1]" 1
502 1 27 ARG QD 1 28 LEU HB3 2.800 . 3.800 3.775 3.453 3.915 0.115 1 0 "[ . 1]" 1
503 1 27 ARG QD 1 28 LEU H 3.600 . 4.700 2.437 2.069 3.026 . 0 0 "[ . 1]" 1
504 1 55 LEU QB 1 56 LEU H . . 3.100 2.626 2.430 2.851 . 0 0 "[ . 1]" 1
505 1 43 SER HA 1 44 ARG QG 4.900 . 6.000 5.198 5.048 5.357 . 0 0 "[ . 1]" 1
506 1 16 SER HA 1 17 LEU H 3.800 . 5.600 3.519 3.441 3.570 . 0 0 "[ . 1]" 1
507 1 41 LEU QB 1 42 GLN HG2 5.700 . 6.000 5.444 3.238 5.757 . 0 0 "[ . 1]" 1
508 1 9 ALA HA 1 10 LEU QB 5.700 . 6.000 5.181 5.168 5.195 . 0 0 "[ . 1]" 1
509 1 10 LEU QB 1 11 LEU H . . 2.800 2.459 2.416 2.501 . 0 0 "[ . 1]" 1
510 1 10 LEU HG 1 11 LEU H 3.900 . 5.800 3.406 3.295 3.499 . 0 0 "[ . 1]" 1
511 1 10 LEU HG 1 11 LEU HA 3.800 . 5.600 3.478 3.366 3.599 . 0 0 "[ . 1]" 1
512 1 12 ALA HA 1 13 HIS QB 5.700 . 6.000 5.302 5.092 5.370 . 0 0 "[ . 1]" 1
513 1 15 ALA HA 1 16 SER QB 6.000 . 6.000 5.340 5.161 5.537 . 0 0 "[ . 1]" 1
514 1 33 PRO QG 1 34 PRO HD3 5.500 . 6.000 4.936 4.823 5.146 . 0 0 "[ . 1]" 1
515 1 30 PHE QB 1 31 GLN QB 6.000 . 6.000 4.933 4.706 5.095 . 0 0 "[ . 1]" 1
516 1 31 GLN HA 1 32 ALA H . . 3.000 2.148 2.132 2.166 . 0 0 "[ . 1]" 1
517 1 31 GLN QB 1 32 ALA H 5.400 . 6.000 3.879 3.786 3.916 . 0 0 "[ . 1]" 1
518 1 71 PRO HD3 1 72 VAL HB 3.600 . 6.000 6.028 5.748 6.147 0.147 9 0 "[ . 1]" 1
519 1 35 GLY HA3 1 36 VAL H 3.700 . 4.500 2.960 2.905 3.157 . 0 0 "[ . 1]" 1
520 1 35 GLY HA2 1 36 VAL H 3.900 . 4.100 3.514 3.431 3.535 . 0 0 "[ . 1]" 1
521 1 60 GLN QB 1 61 PRO HD3 4.200 . 6.000 3.744 3.191 4.450 . 0 0 "[ . 1]" 1
522 1 42 GLN QB 1 43 SER HB2 4.000 . 6.000 3.959 3.777 4.179 . 0 0 "[ . 1]" 1
523 1 40 GLU QB 1 41 LEU H 3.500 . 3.600 2.745 2.350 3.576 . 0 0 "[ . 1]" 1
524 1 43 SER HA 1 44 ARG H 3.800 . 4.500 3.499 3.488 3.511 . 0 0 "[ . 1]" 1
525 1 44 ARG HA 1 45 LEU H 3.400 . 4.000 3.530 3.492 3.570 . 0 0 "[ . 1]" 1
526 1 49 ARG HD3 1 50 HIS H 6.000 . 6.000 4.313 3.737 4.623 . 0 0 "[ . 1]" 1
527 1 51 GLU QG 1 52 LEU H 4.300 . 6.000 4.013 1.912 4.309 0.088 1 0 "[ . 1]" 1
528 1 57 ARG QG 1 58 GLN QG 5.600 . 6.000 5.711 5.376 5.959 . 0 0 "[ . 1]" 1
529 1 71 PRO HA 1 72 VAL H 2.900 . 3.400 2.718 2.152 3.457 0.057 1 0 "[ . 1]" 1
530 1 2 PRO HA 1 3 LEU H 4.400 . 4.900 2.882 2.141 3.569 . 0 0 "[ . 1]" 1
531 1 71 PRO QB 1 72 VAL H 4.300 . 4.300 3.797 3.079 3.991 . 0 0 "[ . 1]" 1
532 1 74 ARG QB 1 75 ASN HA 4.200 . 6.000 4.783 4.276 5.474 . 0 0 "[ . 1]" 1
533 1 74 ARG QB 1 75 ASN H 4.400 . 6.000 3.665 2.654 4.000 . 0 0 "[ . 1]" 1
534 1 22 TRP HD1 1 24 GLU QG 3.900 . 5.800 4.176 3.468 4.781 . 0 0 "[ . 1]" 1
535 1 22 TRP HD1 1 24 GLU QB 3.300 . 4.600 2.775 2.440 3.217 . 0 0 "[ . 1]" 1
536 1 22 TRP HE3 1 31 GLN H 5.000 . 6.000 4.593 4.446 4.996 . 0 0 "[ . 1]" 1
537 1 22 TRP HH2 1 31 GLN H 5.000 . 5.200 4.524 4.090 4.896 . 0 0 "[ . 1]" 1
538 1 22 TRP HZ3 1 31 GLN QG 4.600 . 6.000 3.676 3.514 3.835 . 0 0 "[ . 1]" 1
539 1 22 TRP HZ3 1 31 GLN QB 3.000 . 4.100 2.036 1.868 2.194 0.032 6 0 "[ . 1]" 1
540 1 22 TRP HZ3 1 30 PHE HA 3.900 . 5.800 4.070 3.949 4.210 . 0 0 "[ . 1]" 1
541 1 22 TRP HZ3 1 31 GLN H 3.500 . 5.000 3.174 3.017 3.501 . 0 0 "[ . 1]" 1
542 1 22 TRP HZ2 1 31 GLN QB 5.200 . 6.000 4.428 4.226 4.605 . 0 0 "[ . 1]" 1
543 1 22 TRP HZ2 1 29 ARG HD3 4.400 . 6.000 5.500 4.985 5.869 . 0 0 "[ . 1]" 1
544 1 22 TRP HZ2 1 29 ARG QG 4.300 . 6.000 3.393 2.930 3.791 . 0 0 "[ . 1]" 1
545 1 30 PHE HZ 1 37 MET QG 4.200 . 6.000 4.657 4.151 4.938 . 0 0 "[ . 1]" 1
546 1 21 LEU HA 1 30 PHE HA 2.900 . 4.000 2.755 2.596 2.924 . 0 0 "[ . 1]" 1
547 1 21 LEU HA 1 31 GLN H 3.900 . 5.600 3.579 3.428 3.745 . 0 0 "[ . 1]" 1
548 1 21 LEU HA 1 30 PHE QB 4.000 . 6.000 4.720 4.488 4.883 . 0 0 "[ . 1]" 1
549 1 48 ALA HA 1 51 GLU QG 4.900 . 6.000 5.922 5.342 6.054 0.054 10 0 "[ . 1]" 1
550 1 48 ALA HA 1 52 LEU H 4.700 . 6.000 5.252 5.125 5.690 . 0 0 "[ . 1]" 1
551 1 48 ALA HA 1 51 GLU H 4.300 . 6.000 4.792 4.638 5.616 . 0 0 "[ . 1]" 1
552 1 22 TRP HA 1 56 LEU QB 3.500 . 5.000 3.510 2.621 4.798 . 0 0 "[ . 1]" 1
553 1 19 VAL HA 1 32 ALA HA 2.900 . 3.900 2.834 2.674 3.152 . 0 0 "[ . 1]" 1
554 1 34 PRO HA 1 36 VAL H 4.400 . 6.000 3.911 3.692 4.046 . 0 0 "[ . 1]" 1
555 1 50 HIS HA 1 54 ALA H 3.600 . 5.200 4.412 4.209 4.574 . 0 0 "[ . 1]" 1
556 1 50 HIS HA 1 53 ILE HB 2.800 . 3.800 2.790 2.570 3.051 . 0 0 "[ . 1]" 1
557 1 22 TRP QB 1 24 GLU HA 4.700 . 6.000 5.481 5.166 5.784 . 0 0 "[ . 1]" 1
558 1 22 TRP QB 1 56 LEU HB2 4.000 . 6.000 3.522 2.765 5.067 . 0 0 "[ . 1]" 1
559 1 9 ALA HA 1 11 LEU H 3.900 . 5.800 4.615 4.512 4.679 . 0 0 "[ . 1]" 1
560 1 11 LEU HA 1 13 HIS H 3.100 . 6.000 4.682 4.404 4.791 . 0 0 "[ . 1]" 1
561 1 11 LEU HA 1 14 ALA H 3.800 . 5.400 3.734 3.502 3.883 . 0 0 "[ . 1]" 1
562 1 11 LEU HA 1 15 ALA H 3.800 . 4.700 3.948 3.791 4.100 . 0 0 "[ . 1]" 1
563 1 45 LEU HA 1 48 ALA H 4.300 . 6.000 5.507 5.341 5.687 . 0 0 "[ . 1]" 1
564 1 22 TRP HZ3 1 31 GLN HA 5.800 . 6.000 4.330 4.055 4.493 . 0 0 "[ . 1]" 1
565 1 22 TRP HZ3 1 30 PHE QB 5.300 . 6.000 5.725 5.493 5.901 . 0 0 "[ . 1]" 1
566 1 55 LEU HA 1 58 GLN QB 3.300 . 4.700 3.227 2.819 3.978 . 0 0 "[ . 1]" 1
567 1 24 GLU QB 1 29 ARG HB2 5.300 . 6.000 3.470 2.607 4.039 . 0 0 "[ . 1]" 1
568 1 33 PRO HD2 1 36 VAL H 6.000 . 6.000 4.692 4.472 4.819 . 0 0 "[ . 1]" 1
569 1 33 PRO QB 1 36 VAL H 5.300 . 6.000 3.824 3.500 4.501 . 0 0 "[ . 1]" 1
570 1 33 PRO QG 1 36 VAL H 6.000 . 6.000 4.995 3.944 5.351 . 0 0 "[ . 1]" 1
571 1 15 ALA HA 1 19 VAL H 3.100 . 4.300 3.923 3.493 4.191 . 0 0 "[ . 1]" 1
572 1 15 ALA HA 1 17 LEU H 4.200 . 6.000 4.265 3.912 4.567 . 0 0 "[ . 1]" 1
573 1 15 ALA HA 1 58 GLN HE22 4.000 . 6.000 2.854 1.966 3.521 0.034 1 0 "[ . 1]" 1
574 1 38 THR HB 1 40 GLU QG 4.700 . 6.000 4.887 2.570 5.770 . 0 0 "[ . 1]" 1
575 1 38 THR HB 1 40 GLU H 4.600 . 6.000 2.853 2.698 3.030 . 0 0 "[ . 1]" 1
576 1 39 PRO QB 1 42 GLN H 4.200 . 5.600 4.900 4.798 4.972 . 0 0 "[ . 1]" 1
577 1 39 PRO HA 1 42 GLN HA 5.400 . 6.000 5.317 4.800 5.559 . 0 0 "[ . 1]" 1
578 1 39 PRO HA 1 41 LEU H 4.800 . 6.000 4.428 4.226 4.606 . 0 0 "[ . 1]" 1
579 1 39 PRO HA 1 43 SER H 4.400 . 6.000 4.212 3.925 4.486 . 0 0 "[ . 1]" 1
580 1 39 PRO HA 1 42 GLN H 3.600 . 5.200 3.479 3.335 3.582 . 0 0 "[ . 1]" 1
581 1 43 SER QB 1 45 LEU H 6.000 . 6.000 4.866 4.774 4.940 . 0 0 "[ . 1]" 1
582 1 52 LEU HA 1 54 ALA H 4.600 . 6.000 4.305 4.134 4.520 . 0 0 "[ . 1]" 1
583 1 53 ILE HA 1 55 LEU H 4.400 . 6.000 4.121 3.945 4.224 . 0 0 "[ . 1]" 1
584 1 53 ILE HA 1 57 ARG H 4.200 . 6.000 4.201 3.947 4.316 . 0 0 "[ . 1]" 1
585 1 10 LEU HA 1 14 ALA H 3.700 . 5.400 4.058 3.872 4.167 . 0 0 "[ . 1]" 1
586 1 10 LEU HA 1 13 HIS HE1 5.000 . 6.000 4.888 4.699 5.205 . 0 0 "[ . 1]" 1
587 1 10 LEU HA 1 13 HIS QB 3.000 . 4.100 3.922 2.872 4.095 . 0 0 "[ . 1]" 1
588 1 9 ALA HA 1 13 HIS QB 5.100 . 6.000 4.513 4.415 4.626 . 0 0 "[ . 1]" 1
589 1 57 ARG HA 1 60 GLN HE22 5.600 . 6.000 4.382 2.952 5.510 . 0 0 "[ . 1]" 1
590 1 52 LEU QB 1 54 ALA H 5.500 . 6.000 4.927 4.677 5.074 . 0 0 "[ . 1]" 1
591 1 42 GLN HA 1 45 LEU QB 3.200 . 4.400 2.793 2.304 3.163 . 0 0 "[ . 1]" 1
592 1 42 GLN HA 1 44 ARG H 4.500 . 6.000 4.141 4.029 4.239 . 0 0 "[ . 1]" 1
593 1 42 GLN HA 1 45 LEU H 3.600 . 5.300 3.344 3.104 3.608 . 0 0 "[ . 1]" 1
594 1 42 GLN QB 1 44 ARG H 6.000 . 6.000 4.580 4.501 4.646 . 0 0 "[ . 1]" 1
595 1 15 ALA HA 1 58 GLN HE21 3.100 . 4.300 3.708 2.692 4.323 0.023 4 0 "[ . 1]" 1
596 1 14 ALA HA 1 17 LEU H 3.600 . 5.200 3.541 3.446 3.704 . 0 0 "[ . 1]" 1
597 1 14 ALA HA 1 16 SER H 4.700 . 6.000 4.380 4.248 4.545 . 0 0 "[ . 1]" 1
598 1 14 ALA HA 1 18 GLY H 4.100 . 6.000 4.216 4.043 4.492 . 0 0 "[ . 1]" 1
599 1 22 TRP HD1 1 29 ARG QD 5.200 . 6.000 4.911 4.261 5.580 . 0 0 "[ . 1]" 1
600 1 22 TRP HD1 1 29 ARG QB 4.700 . 6.000 3.780 3.519 3.996 . 0 0 "[ . 1]" 1
601 1 22 TRP HH2 1 30 PHE HA 5.000 . 6.000 5.144 4.973 5.214 . 0 0 "[ . 1]" 1
602 1 22 TRP HH2 1 31 GLN HA 5.900 . 6.000 4.227 3.972 4.436 . 0 0 "[ . 1]" 1
603 1 22 TRP HH2 1 30 PHE QB 5.000 . 6.000 6.036 5.821 6.135 0.135 10 0 "[ . 1]" 1
604 1 22 TRP HH2 1 29 ARG QB 4.700 . 6.000 3.582 3.230 3.750 . 0 0 "[ . 1]" 1
605 1 22 TRP HE3 1 31 GLN QG 6.000 . 6.000 5.741 5.402 5.933 . 0 0 "[ . 1]" 1
606 1 22 TRP HZ2 1 29 ARG HA 6.000 . 6.000 5.538 5.413 5.750 . 0 0 "[ . 1]" 1
607 1 11 LEU QB 1 13 HIS H 3.400 . 6.000 4.839 4.666 4.923 . 0 0 "[ . 1]" 1
608 1 12 ALA HA 1 15 ALA H 3.500 . 5.000 3.694 3.466 3.893 . 0 0 "[ . 1]" 1
609 1 12 ALA HA 1 16 SER H 4.500 . 6.000 4.072 3.888 4.279 . 0 0 "[ . 1]" 1
610 1 13 HIS HA 1 16 SER H 3.800 . 3.900 3.314 3.140 3.537 . 0 0 "[ . 1]" 1
611 1 13 HIS HA 1 15 ALA H 3.500 . 5.000 4.400 4.211 4.497 . 0 0 "[ . 1]" 1
612 1 12 ALA HA 1 14 ALA H 4.400 . 6.000 4.399 4.306 4.497 . 0 0 "[ . 1]" 1
613 1 54 ALA HA 1 56 LEU H 3.800 . 5.600 4.265 4.105 4.420 . 0 0 "[ . 1]" 1
614 1 54 ALA HA 1 57 ARG H 2.700 . 3.600 3.169 2.926 3.402 . 0 0 "[ . 1]" 1
615 1 41 LEU HA 1 44 ARG H 3.600 . 5.200 3.142 2.923 3.379 . 0 0 "[ . 1]" 1
616 1 41 LEU HA 1 45 LEU H 4.300 . 6.000 4.102 3.981 4.200 . 0 0 "[ . 1]" 1
617 1 41 LEU HA 1 43 SER H 4.800 . 6.000 4.250 4.083 4.384 . 0 0 "[ . 1]" 1
618 1 41 LEU HA 1 44 ARG QD 3.900 . 5.800 3.854 2.556 4.897 . 0 0 "[ . 1]" 1
619 1 40 GLU HA 1 43 SER H 3.400 . 4.900 3.408 3.158 3.703 . 0 0 "[ . 1]" 1
620 1 40 GLU HA 1 44 ARG H 4.300 . 6.000 4.386 4.306 4.514 . 0 0 "[ . 1]" 1
621 1 40 GLU HA 1 42 GLN H 2.700 . 6.000 4.448 4.262 4.648 . 0 0 "[ . 1]" 1
622 1 56 LEU HA 1 58 GLN H 3.000 . 4.100 3.904 3.728 4.185 0.085 4 0 "[ . 1]" 1
623 1 51 GLU HA 1 55 LEU H 4.100 . 6.000 4.472 4.303 4.692 . 0 0 "[ . 1]" 1
624 1 51 GLU HA 1 54 ALA H 3.400 . 4.900 3.650 3.233 4.016 . 0 0 "[ . 1]" 1
625 1 50 HIS HA 1 52 LEU H 4.300 . 6.000 4.512 4.337 4.668 . 0 0 "[ . 1]" 1
626 1 49 ARG HA 1 51 GLU H 4.600 . 6.000 4.283 4.168 4.768 . 0 0 "[ . 1]" 1
627 1 49 ARG HA 1 52 LEU H 3.400 . 4.800 3.525 3.345 3.831 . 0 0 "[ . 1]" 1
628 1 13 HIS HA 1 17 LEU H 4.600 . 6.000 4.128 3.700 4.551 . 0 0 "[ . 1]" 1
629 1 14 ALA HA 1 19 VAL HB 3.300 . 4.600 3.524 3.308 3.930 . 0 0 "[ . 1]" 1
630 1 14 ALA HA 1 17 LEU QB 3.200 . 4.500 3.038 2.794 3.256 . 0 0 "[ . 1]" 1
631 1 17 LEU QB 1 19 VAL H 3.700 . 4.700 2.940 2.692 3.277 . 0 0 "[ . 1]" 1
632 1 41 LEU HA 1 44 ARG QG 2.600 . 3.400 2.520 1.768 3.279 0.032 2 0 "[ . 1]" 1
633 1 49 ARG HA 1 52 LEU QB 3.200 . 4.500 2.950 2.744 3.150 . 0 0 "[ . 1]" 1
634 1 53 ILE HB 1 55 LEU H 5.600 . 6.000 4.691 4.592 4.811 . 0 0 "[ . 1]" 1
635 1 70 ALA HA 1 72 VAL HB 4.400 . 6.000 5.183 4.608 5.722 . 0 0 "[ . 1]" 1
636 1 17 LEU HG 1 19 VAL H 4.900 . 6.000 5.273 5.072 5.637 . 0 0 "[ . 1]" 1
637 1 19 VAL HB 1 32 ALA HA 5.600 . 6.000 5.537 5.387 5.643 . 0 0 "[ . 1]" 1
638 1 18 GLY HA3 1 33 PRO QB 4.800 . 6.000 5.510 5.232 5.824 . 0 0 "[ . 1]" 1
639 1 25 GLY HA2 1 27 ARG H 5.600 . 6.000 4.783 4.590 5.056 . 0 0 "[ . 1]" 1
640 1 25 GLY HA3 1 27 ARG H 5.200 . 6.000 3.635 3.369 4.000 . 0 0 "[ . 1]" 1
641 1 21 LEU HA 1 56 LEU QB 5.000 . 6.000 5.470 4.841 6.929 0.929 1 1 "[+ . 1]" 1
642 1 21 LEU QB 1 30 PHE HA 5.000 . 6.000 4.163 3.970 4.314 . 0 0 "[ . 1]" 1
643 1 21 LEU QB 1 30 PHE HB2 5.800 . 6.000 5.264 4.840 5.465 . 0 0 "[ . 1]" 1
644 1 23 VAL HB 1 28 LEU HA 5.800 . 6.000 3.474 2.962 3.724 . 0 0 "[ . 1]" 1
645 1 35 GLY HA3 1 37 MET H 5.300 . 6.000 4.491 4.395 4.604 . 0 0 "[ . 1]" 1
646 1 35 GLY HA2 1 37 MET H 5.100 . 6.000 3.992 3.890 4.150 . 0 0 "[ . 1]" 1
647 1 40 GLU QG 1 44 ARG QD 4.500 . 6.000 3.754 3.000 5.234 . 0 0 "[ . 1]" 1
648 1 24 GLU QG 1 29 ARG QG 4.100 . 6.000 3.984 3.231 5.627 . 0 0 "[ . 1]" 1
649 1 24 GLU QB 1 29 ARG HD3 3.500 . 5.100 2.185 1.848 2.697 0.052 5 0 "[ . 1]" 1
650 1 27 ARG QB 1 29 ARG HD2 4.700 . 6.000 3.220 2.839 3.581 . 0 0 "[ . 1]" 1
651 1 49 ARG QG 1 51 GLU H 6.000 . 6.000 4.145 4.028 4.512 . 0 0 "[ . 1]" 1
652 1 20 ARG QG 1 22 TRP HZ3 4.600 . 6.000 4.222 3.846 4.554 . 0 0 "[ . 1]" 1
653 1 20 ARG QG 1 22 TRP HE3 4.600 . 6.000 4.824 4.330 5.040 . 0 0 "[ . 1]" 1
654 1 20 ARG QG 1 31 GLN QG 5.100 . 6.000 3.596 2.901 4.144 . 0 0 "[ . 1]" 1
655 1 20 ARG QB 1 22 TRP HZ3 3.500 . 5.000 2.105 1.862 2.435 0.138 1 0 "[ . 1]" 1
656 1 20 ARG QB 1 22 TRP HE3 3.200 . 4.500 2.767 2.488 2.928 . 0 0 "[ . 1]" 1
657 1 20 ARG QB 1 30 PHE HA 5.700 . 6.000 4.800 4.597 4.919 . 0 0 "[ . 1]" 1
658 1 20 ARG QB 1 31 GLN HA 5.800 . 6.000 4.577 4.423 4.760 . 0 0 "[ . 1]" 1
659 1 20 ARG QD 1 22 TRP HZ3 4.100 . 6.000 3.563 3.254 3.995 . 0 0 "[ . 1]" 1
660 1 20 ARG QD 1 22 TRP HE3 4.400 . 6.000 4.686 4.309 5.442 . 0 0 "[ . 1]" 1
661 1 62 SER QB 1 64 GLN HE21 4.800 . 6.000 4.722 2.745 6.007 0.007 10 0 "[ . 1]" 1
662 1 62 SER QB 1 64 GLN HE22 5.800 . 6.000 4.690 3.074 6.005 0.005 4 0 "[ . 1]" 1
663 1 6 SER QB 1 8 GLY H 4.700 . 6.000 4.880 4.232 5.225 . 0 0 "[ . 1]" 1
664 1 6 SER QB 1 9 ALA H 4.500 . 6.000 4.331 2.760 5.470 . 0 0 "[ . 1]" 1
665 1 54 ALA HA 1 57 ARG QD 3.600 . 5.200 3.291 1.970 4.925 0.030 3 0 "[ . 1]" 1
666 1 54 ALA HA 1 57 ARG QB 2.700 . 3.600 2.194 1.991 2.504 . 0 0 "[ . 1]" 1
667 1 56 LEU QB 1 58 GLN H 3.700 . 5.400 4.628 4.371 4.802 . 0 0 "[ . 1]" 1
668 1 55 LEU HA 1 58 GLN QG 3.900 . 5.800 3.524 2.529 4.125 . 0 0 "[ . 1]" 1
669 1 18 GLY HA2 1 58 GLN HE22 4.400 . 6.000 3.930 2.994 4.362 . 0 0 "[ . 1]" 1
670 1 18 GLY HA3 1 58 GLN HE22 5.300 . 6.000 5.503 4.611 5.925 . 0 0 "[ . 1]" 1
671 1 18 GLY HA2 1 58 GLN HE21 4.400 . 6.000 4.559 4.493 4.715 . 0 0 "[ . 1]" 1
672 1 18 GLY HA2 1 20 ARG QD 4.800 . 6.000 4.808 3.016 5.720 . 0 0 "[ . 1]" 1
673 1 18 GLY HA3 1 33 PRO QG 3.700 . 5.400 3.656 3.260 4.046 . 0 0 "[ . 1]" 1
674 1 31 GLN QB 1 33 PRO HD3 4.500 . 6.000 5.192 4.725 5.585 . 0 0 "[ . 1]" 1
675 1 31 GLN QG 1 33 PRO HD3 3.900 . 5.800 3.774 3.120 4.213 . 0 0 "[ . 1]" 1
676 1 56 LEU QB 1 58 GLN QG 5.400 . 6.000 5.190 4.760 5.435 . 0 0 "[ . 1]" 1
677 1 14 ALA HA 1 17 LEU HA 6.000 . 6.000 5.724 5.529 5.881 . 0 0 "[ . 1]" 1
678 1 27 ARG QG 1 30 PHE QB 5.300 . 6.000 6.064 5.659 6.231 0.231 6 0 "[ . 1]" 1
679 1 14 ALA HA 1 17 LEU HG 3.700 . 5.400 3.799 3.343 4.240 . 0 0 "[ . 1]" 1
680 1 37 MET QG 1 39 PRO HA 6.000 . 6.000 5.188 5.019 5.333 . 0 0 "[ . 1]" 1
681 1 60 GLN QG 1 62 SER H 6.000 . 6.000 5.263 4.335 6.129 0.129 7 0 "[ . 1]" 1
682 1 16 SER HA 1 18 GLY H 4.700 . 6.000 4.176 4.010 4.331 . 0 0 "[ . 1]" 1
683 1 7 ALA HA 1 10 LEU H 3.900 . 4.600 3.483 3.058 3.714 . 0 0 "[ . 1]" 1
684 1 8 GLY HA3 1 11 LEU QB 6.000 . 6.000 4.028 3.758 4.339 . 0 0 "[ . 1]" 1
685 1 8 GLY HA2 1 10 LEU H 5.900 . 6.000 4.480 4.311 4.658 . 0 0 "[ . 1]" 1
686 1 8 GLY HA3 1 10 LEU H 6.000 . 6.000 4.746 4.646 4.894 . 0 0 "[ . 1]" 1
687 1 8 GLY HA2 1 11 LEU H 5.400 . 5.400 3.515 3.273 3.792 . 0 0 "[ . 1]" 1
688 1 10 LEU HB2 1 13 HIS HB2 5.900 . 6.000 5.651 4.784 5.783 . 0 0 "[ . 1]" 1
689 1 10 LEU QB 1 14 ALA H 6.000 . 6.000 5.356 5.215 5.481 . 0 0 "[ . 1]" 1
690 1 12 ALA HA 1 15 ALA HA 6.000 . 6.000 5.693 5.421 5.891 . 0 0 "[ . 1]" 1
691 1 15 ALA HA 1 58 GLN QB 5.200 . 6.000 4.170 3.273 4.636 . 0 0 "[ . 1]" 1
692 1 15 ALA HA 1 19 VAL HB 4.400 . 6.000 5.209 4.310 5.518 . 0 0 "[ . 1]" 1
693 1 18 GLY HA3 1 58 GLN HE21 6.000 . 6.000 6.092 6.046 6.210 0.210 4 0 "[ . 1]" 1
694 1 18 GLY HA2 1 58 GLN QG 6.000 . 6.000 5.338 4.787 6.025 0.025 3 0 "[ . 1]" 1
695 1 19 VAL HB 1 30 PHE HZ 6.000 . 6.000 6.007 5.866 6.045 0.045 8 0 "[ . 1]" 1
696 1 20 ARG QD 1 31 GLN HA 6.000 . 6.000 5.298 4.802 6.102 0.102 5 0 "[ . 1]" 1
697 1 20 ARG QG 1 31 GLN HB3 5.800 . 6.000 3.327 2.917 3.963 . 0 0 "[ . 1]" 1
698 1 33 PRO HA 1 36 VAL H 6.000 . 6.000 5.444 5.343 5.519 . 0 0 "[ . 1]" 1
699 1 37 MET HA 1 41 LEU H 6.000 . 6.000 5.521 5.308 5.747 . 0 0 "[ . 1]" 1
700 1 37 MET HA 1 39 PRO QD 6.000 . 6.000 5.886 5.818 5.969 . 0 0 "[ . 1]" 1
701 1 40 GLU QG 1 44 ARG QG 6.000 . 6.000 3.047 2.510 4.428 . 0 0 "[ . 1]" 1
702 1 41 LEU HG 1 45 LEU HA 6.000 . 6.000 5.475 5.057 5.892 . 0 0 "[ . 1]" 1
703 1 42 GLN QB 1 44 ARG HG3 6.000 . 6.000 6.025 5.789 6.131 0.131 8 0 "[ . 1]" 1
704 1 43 SER HA 1 45 LEU H 6.000 . 6.000 4.392 4.238 4.674 . 0 0 "[ . 1]" 1
705 1 45 LEU QB 1 47 GLY H 4.000 . 6.000 2.729 2.598 2.817 . 0 0 "[ . 1]" 1
706 1 51 GLU QG 1 55 LEU HB2 5.700 . 6.000 4.499 3.993 5.030 . 0 0 "[ . 1]" 1
707 1 52 LEU HA 1 55 LEU H 3.800 . 5.600 2.957 2.870 3.061 . 0 0 "[ . 1]" 1
708 1 53 ILE HA 1 56 LEU H 3.800 . 5.600 3.529 3.234 3.724 . 0 0 "[ . 1]" 1
709 1 57 ARG HA 1 60 GLN QG 3.900 . 5.800 2.860 1.843 4.170 0.157 1 0 "[ . 1]" 1
710 1 72 VAL HA 1 75 ASN H 4.400 . 6.000 5.613 5.172 6.064 0.064 6 0 "[ . 1]" 1
711 1 22 TRP HE3 1 30 PHE HA 4.400 . 6.000 4.612 4.440 4.767 . 0 0 "[ . 1]" 1
712 1 22 TRP H 1 30 PHE HA 4.200 . 6.000 3.991 3.821 4.119 . 0 0 "[ . 1]" 1
713 1 21 LEU HG 1 30 PHE HA 3.200 . 4.500 2.728 2.619 2.896 . 0 0 "[ . 1]" 1
714 1 20 ARG H 1 32 ALA HA 3.700 . 5.400 3.845 3.556 4.400 . 0 0 "[ . 1]" 1
715 1 36 VAL HA 1 38 THR HB 3.900 . 6.000 6.036 5.988 6.093 0.093 4 0 "[ . 1]" 1
716 1 22 TRP HZ2 1 29 ARG QB 3.600 . 5.300 2.863 2.714 2.992 . 0 0 "[ . 1]" 1
717 1 22 TRP HE1 1 29 ARG QB 5.000 . 6.000 3.039 2.692 3.251 . 0 0 "[ . 1]" 1
718 1 24 GLU QB 1 29 ARG HG2 3.600 . 5.200 2.905 1.996 4.083 0.004 8 0 "[ . 1]" 1
719 1 24 GLU QG 1 29 ARG HG2 4.400 . 6.000 4.093 3.245 5.728 . 0 0 "[ . 1]" 1
720 1 23 VAL HA 1 29 ARG QG 5.300 . 6.000 4.909 3.165 6.131 0.131 1 0 "[ . 1]" 1
721 1 22 TRP HD1 1 29 ARG QG 5.000 . 6.000 4.336 3.342 5.222 . 0 0 "[ . 1]" 1
722 1 22 TRP HE1 1 29 ARG QG 4.000 . 5.600 2.916 2.476 3.592 . 0 0 "[ . 1]" 1
723 1 24 GLU HG2 1 29 ARG HD2 5.600 . 6.000 5.667 5.313 6.063 0.063 6 0 "[ . 1]" 1
724 1 24 GLU QG 1 29 ARG HD3 5.000 . 6.000 3.830 3.313 4.522 . 0 0 "[ . 1]" 1
725 1 24 GLU QB 1 29 ARG HD3 3.000 . 4.100 2.204 1.856 2.735 0.044 5 0 "[ . 1]" 1
726 1 24 GLU QB 1 29 ARG HD2 4.000 . 6.000 3.510 3.255 3.886 . 0 0 "[ . 1]" 1
727 1 27 ARG QG 1 29 ARG HD3 4.400 . 6.000 4.451 3.155 4.948 . 0 0 "[ . 1]" 1
728 1 27 ARG QG 1 29 ARG HD2 3.500 . 5.000 3.409 2.210 3.948 . 0 0 "[ . 1]" 1
729 1 23 VAL HA 1 29 ARG HD2 3.700 . 5.400 5.190 4.255 5.509 0.109 4 0 "[ . 1]" 1
730 1 23 VAL HA 1 29 ARG HD3 4.500 . 6.000 4.894 3.877 5.783 . 0 0 "[ . 1]" 1
731 1 22 TRP HZ2 1 29 ARG HD2 4.700 . 6.000 5.911 5.440 6.089 0.089 9 0 "[ . 1]" 1
732 1 22 TRP HD1 1 29 ARG HD3 4.700 . 6.000 5.172 4.373 6.040 0.040 2 0 "[ . 1]" 1
733 1 22 TRP HE1 1 29 ARG HD3 4.100 . 6.000 4.394 3.746 4.959 . 0 0 "[ . 1]" 1
734 1 22 TRP HE1 1 29 ARG HD2 4.900 . 6.000 5.451 5.128 5.775 . 0 0 "[ . 1]" 1
735 1 22 TRP HZ3 1 29 ARG QB 5.700 . 6.000 4.237 3.913 4.534 . 0 0 "[ . 1]" 1
736 1 27 ARG HA 1 29 ARG HD2 3.300 . 6.000 5.343 4.857 5.850 . 0 0 "[ . 1]" 1
737 1 27 ARG HA 1 29 ARG HD3 3.400 . 6.000 5.861 5.594 6.009 0.009 6 0 "[ . 1]" 1
738 1 19 VAL HA 1 33 PRO HD2 3.700 . 5.400 3.815 3.232 4.120 . 0 0 "[ . 1]" 1
739 1 19 VAL HA 1 33 PRO HD3 3.300 . 4.700 3.415 2.679 4.149 . 0 0 "[ . 1]" 1
740 1 19 VAL H 1 33 PRO HD3 4.700 . 6.000 4.671 4.404 5.063 . 0 0 "[ . 1]" 1
741 1 19 VAL H 1 33 PRO HD2 5.300 . 6.000 4.700 4.456 5.194 . 0 0 "[ . 1]" 1
742 1 20 ARG H 1 33 PRO HD3 5.000 . 6.000 4.702 3.832 5.320 . 0 0 "[ . 1]" 1
743 1 20 ARG H 1 33 PRO HD2 3.900 . 5.800 5.579 5.003 5.845 0.045 1 0 "[ . 1]" 1
744 1 19 VAL H 1 33 PRO QG 5.100 . 6.000 4.909 4.222 5.264 . 0 0 "[ . 1]" 1
745 1 22 TRP HA 1 56 LEU HA 5.400 . 6.000 5.186 4.092 5.988 . 0 0 "[ . 1]" 1
746 1 50 HIS HA 1 53 ILE HA 6.000 . 6.000 5.323 5.093 5.636 . 0 0 "[ . 1]" 1
747 1 37 MET HA 1 41 LEU QB 3.700 . 5.400 3.304 3.116 3.541 . 0 0 "[ . 1]" 1
748 1 38 THR H 1 41 LEU QB 3.300 . 4.700 3.246 3.182 3.337 . 0 0 "[ . 1]" 1
749 1 39 PRO HA 1 42 GLN QB 2.700 . 3.600 2.584 2.025 3.054 . 0 0 "[ . 1]" 1
750 1 22 TRP HH2 1 31 GLN QG 4.000 . 6.000 3.725 3.335 4.011 . 0 0 "[ . 1]" 1
751 1 23 VAL HA 1 28 LEU HA 3.000 . 4.100 1.946 1.858 2.271 0.042 1 0 "[ . 1]" 1
752 1 38 THR H 1 41 LEU HA 5.600 . 6.000 6.088 6.032 6.155 0.155 9 0 "[ . 1]" 1
753 1 8 GLY HA2 1 11 LEU QB 2.900 . 3.900 2.524 2.321 2.830 . 0 0 "[ . 1]" 1
754 1 10 LEU HB2 1 13 HIS QB 4.300 . 6.000 6.031 5.139 6.161 0.161 5 0 "[ . 1]" 1
755 1 38 THR HB 1 40 GLU HA 5.900 . 6.000 5.478 5.226 5.658 . 0 0 "[ . 1]" 1
756 1 50 HIS QB 1 53 ILE HB 4.900 . 6.000 4.195 3.997 4.526 . 0 0 "[ . 1]" 1
757 1 51 GLU H 1 53 ILE HB 4.300 . 6.000 4.977 4.855 5.129 . 0 0 "[ . 1]" 1
758 1 7 ALA HA 1 10 LEU QB 2.700 . 3.600 2.618 2.253 2.822 . 0 0 "[ . 1]" 1
759 1 56 LEU QB 1 58 GLN HB3 3.400 . 6.000 6.016 5.845 6.300 0.300 5 0 "[ . 1]" 1
760 1 20 ARG HA 1 58 GLN QB 4.800 . 6.000 5.958 4.829 6.183 0.183 7 0 "[ . 1]" 1
761 1 22 TRP HE1 1 24 GLU QG 4.000 . 5.600 3.935 3.158 4.928 . 0 0 "[ . 1]" 1
762 1 22 TRP HE1 1 24 GLU QB 3.700 . 4.800 3.023 2.528 3.430 . 0 0 "[ . 1]" 1
763 1 21 LEU HG 1 30 PHE QB 4.200 . 6.000 3.947 3.725 4.103 . 0 0 "[ . 1]" 1
764 1 22 TRP HD1 1 24 GLU HA 4.900 . 6.000 4.017 3.524 4.394 . 0 0 "[ . 1]" 1
765 1 24 GLU H 1 27 ARG QB 4.800 . 6.000 4.227 4.030 4.427 . 0 0 "[ . 1]" 1
766 1 23 VAL HB 1 28 LEU QB 3.100 . 4.300 3.849 3.294 4.344 0.044 3 0 "[ . 1]" 1
767 1 50 HIS HA 1 53 ILE HG13 4.400 . 6.000 3.093 2.543 3.605 . 0 0 "[ . 1]" 1
768 1 37 MET HA 1 41 LEU HG 6.000 . 6.000 5.336 5.035 5.747 . 0 0 "[ . 1]" 1
769 1 18 GLY HA2 1 20 ARG QG 3.700 . 5.400 3.654 3.317 4.132 . 0 0 "[ . 1]" 1
770 1 15 ALA HA 1 58 GLN QG 4.200 . 6.000 3.909 3.386 4.765 . 0 0 "[ . 1]" 1
771 1 64 GLN QB 1 66 GLY HA3 3.900 . 5.800 5.261 4.567 5.899 0.099 4 0 "[ . 1]" 1
772 1 8 GLY HA2 1 11 LEU HG 4.100 . 6.000 4.184 3.354 4.693 . 0 0 "[ . 1]" 1
773 1 53 ILE HA 1 56 LEU QB 3.200 . 4.500 2.901 2.400 3.248 . 0 0 "[ . 1]" 1
774 1 22 TRP HH2 1 31 GLN QB 3.000 . 4.100 2.117 1.905 2.277 . 0 0 "[ . 1]" 1
775 1 22 TRP HE3 1 31 GLN HB3 4.500 . 6.000 4.488 4.137 4.690 . 0 0 "[ . 1]" 1
776 1 20 ARG HD2 1 31 GLN HB2 3.900 . 5.800 2.734 2.168 3.426 . 0 0 "[ . 1]" 1
777 1 20 ARG HA 1 58 GLN QG 5.100 . 6.000 4.546 4.098 6.032 0.032 3 0 "[ . 1]" 1
778 1 42 GLN HE22 1 45 LEU QB 4.700 . 6.000 3.861 2.407 6.193 0.193 5 0 "[ . 1]" 1
779 1 48 ALA HA 1 50 HIS HD2 6.000 . 6.000 5.760 5.272 6.016 0.016 4 0 "[ . 1]" 1
780 1 48 ALA HA 1 51 GLU QB 5.200 . 6.000 4.580 4.224 6.773 0.773 1 1 "[+ . 1]" 1
781 1 30 PHE HZ 1 37 MET QB 4.200 . 6.000 5.790 5.314 6.026 0.026 2 0 "[ . 1]" 1
782 1 48 ALA H 1 52 LEU HG 4.000 . 6.000 3.526 3.315 3.785 . 0 0 "[ . 1]" 1
783 1 75 ASN QB 1 77 ARG HA 4.400 . 6.000 5.289 4.602 6.177 0.177 9 0 "[ . 1]" 1
784 1 24 GLU H 1 27 ARG QG 5.700 . 6.000 5.196 4.353 5.714 . 0 0 "[ . 1]" 1
785 1 64 GLN QB 1 66 GLY HA2 4.500 . 6.000 5.499 4.838 6.087 0.087 3 0 "[ . 1]" 1
786 1 40 GLU QG 1 44 ARG HD2 4.000 . 6.000 4.346 3.073 6.064 0.064 2 0 "[ . 1]" 1
787 1 40 GLU QG 1 44 ARG HD3 4.200 . 6.000 4.310 3.244 5.720 . 0 0 "[ . 1]" 1
788 1 24 GLU H 1 27 ARG QD 5.900 . 6.000 5.809 4.408 6.133 0.133 9 0 "[ . 1]" 1
789 1 13 HIS HB2 1 16 SER QB 6.000 . 6.000 4.332 3.709 5.219 . 0 0 "[ . 1]" 1
790 1 8 GLY HA2 1 12 ALA HA 4.700 . 6.000 5.820 5.534 5.938 . 0 0 "[ . 1]" 1
791 1 13 HIS HB2 1 17 LEU QB 6.000 . 6.000 5.818 5.244 6.172 0.172 2 0 "[ . 1]" 1
792 1 18 GLY HA2 1 33 PRO QG 3.600 . 5.200 5.051 4.766 5.320 0.120 3 0 "[ . 1]" 1
793 1 19 VAL H 1 32 ALA HA 6.000 . 6.000 5.080 4.732 5.486 . 0 0 "[ . 1]" 1
794 1 33 PRO HD2 1 36 VAL HA 6.000 . 6.000 5.939 5.736 6.045 0.045 1 0 "[ . 1]" 1
795 1 32 ALA HA 1 36 VAL HB 6.000 . 6.000 6.012 5.805 6.141 0.141 9 0 "[ . 1]" 1
796 1 13 HIS HE1 1 41 LEU HA 6.000 . 6.000 3.875 3.618 4.311 . 0 0 "[ . 1]" 1
797 1 13 HIS HE1 1 41 LEU HG 5.900 . 6.000 2.860 2.229 3.628 . 0 0 "[ . 1]" 1
798 1 42 GLN HA 1 45 LEU HG 4.800 . 6.000 3.024 2.734 3.526 . 0 0 "[ . 1]" 1
799 1 48 ALA HA 1 52 LEU HG 5.700 . 6.000 4.753 4.502 4.958 . 0 0 "[ . 1]" 1
800 1 53 ILE HA 1 56 LEU HG 5.100 . 6.000 4.405 3.810 4.758 . 0 0 "[ . 1]" 1
801 1 56 LEU HB2 1 60 GLN HG2 4.400 . 6.000 5.147 3.962 6.093 0.093 4 0 "[ . 1]" 1
802 1 71 PRO QB 1 73 ALA HA 4.800 . 6.000 5.913 4.890 6.152 0.152 4 0 "[ . 1]" 1
803 1 22 TRP H 1 22 TRP HE1 4.300 . 6.000 5.525 5.308 5.706 . 0 0 "[ . 1]" 1
804 1 44 ARG H 1 44 ARG QD 4.200 . 6.000 3.601 3.190 4.185 . 0 0 "[ . 1]" 1
805 1 22 TRP QB 1 22 TRP HE1 4.700 . 6.000 4.417 4.409 4.425 . 0 0 "[ . 1]" 1
806 1 23 VAL H 1 23 VAL HA 2.500 . 3.300 2.903 2.877 2.931 . 0 0 "[ . 1]" 1
807 1 68 LEU H 1 68 LEU QB 2.800 . 3.800 2.623 2.311 3.318 . 0 0 "[ . 1]" 1
808 1 77 ARG H 1 77 ARG QB 4.000 . 6.000 2.692 2.346 2.943 . 0 0 "[ . 1]" 1
809 1 29 ARG H 1 29 ARG QD 3.500 . 5.100 3.086 2.684 3.685 . 0 0 "[ . 1]" 1
810 1 30 PHE H 1 30 PHE QB 3.900 . 5.800 2.426 2.353 2.499 . 0 0 "[ . 1]" 1
811 1 60 GLN QB 1 60 GLN HE21 3.500 . 5.000 2.759 1.884 3.761 0.116 3 0 "[ . 1]" 1
812 1 58 GLN H 1 58 GLN HE21 5.100 . 6.000 4.765 3.918 5.018 . 0 0 "[ . 1]" 1
813 1 60 GLN H 1 60 GLN QG 4.400 . 6.000 2.775 2.153 3.963 . 0 0 "[ . 1]" 1
814 1 67 SER H 1 67 SER QB 4.200 . 6.000 2.746 2.371 3.382 . 0 0 "[ . 1]" 1
815 1 31 GLN HE21 1 31 GLN QG 4.000 . 6.000 2.375 2.137 2.838 . 0 0 "[ . 1]" 1
816 1 64 GLN H 1 64 GLN HE22 6.000 . 6.000 4.236 2.788 5.726 . 0 0 "[ . 1]" 1
817 1 17 LEU QB 1 18 GLY H 3.000 . 4.100 2.852 2.806 2.888 . 0 0 "[ . 1]" 1
818 1 17 LEU HG 1 18 GLY H 3.700 . 5.400 4.386 4.189 4.642 . 0 0 "[ . 1]" 1
819 1 17 LEU H 1 18 GLY H 2.500 . 3.300 2.319 2.105 2.446 . 0 0 "[ . 1]" 1
820 1 16 SER H 1 17 LEU H 2.700 . 3.600 2.651 2.570 2.769 . 0 0 "[ . 1]" 1
821 1 13 HIS H 1 14 ALA H 2.700 . 3.600 2.498 2.453 2.547 . 0 0 "[ . 1]" 1
822 1 30 PHE HZ 1 31 GLN H 4.900 . 6.000 5.910 5.556 6.040 0.040 1 0 "[ . 1]" 1
823 1 25 GLY HA3 1 26 GLU H 2.500 . 3.300 2.183 2.146 2.266 . 0 0 "[ . 1]" 1
824 1 19 VAL H 1 20 ARG H 4.600 . 6.000 4.453 4.230 4.596 . 0 0 "[ . 1]" 1
825 1 23 VAL HB 1 24 GLU H 3.300 . 4.700 4.175 4.130 4.234 . 0 0 "[ . 1]" 1
826 1 77 ARG HA 1 78 LEU H 2.800 . 3.800 2.894 2.129 3.538 . 0 0 "[ . 1]" 1
827 1 77 ARG QB 1 78 LEU H 3.200 . 4.500 3.445 2.356 4.046 . 0 0 "[ . 1]" 1
828 1 77 ARG QG 1 78 LEU H 2.900 . 4.000 3.520 2.280 4.039 0.039 10 0 "[ . 1]" 1
829 1 69 LEU QB 1 70 ALA H 3.400 . 4.800 2.766 1.908 3.940 0.092 6 0 "[ . 1]" 1
830 1 69 LEU HA 1 70 ALA H 2.600 . 3.500 2.983 2.164 3.534 0.034 1 0 "[ . 1]" 1
831 1 8 GLY H 1 9 ALA H 2.800 . 3.800 2.760 2.704 2.805 . 0 0 "[ . 1]" 1
832 1 7 ALA H 1 8 GLY H 3.400 . 4.900 2.762 2.044 3.778 . 0 0 "[ . 1]" 1
833 1 7 ALA HA 1 8 GLY H 3.200 . 4.500 3.552 3.527 3.586 . 0 0 "[ . 1]" 1
834 1 27 ARG H 1 28 LEU H 3.800 . 5.600 4.405 4.298 4.530 . 0 0 "[ . 1]" 1
835 1 28 LEU H 1 29 ARG H 3.700 . 5.400 4.477 4.423 4.510 . 0 0 "[ . 1]" 1
836 1 66 GLY HA2 1 67 SER H 3.100 . 4.300 2.602 2.127 3.558 . 0 0 "[ . 1]" 1
837 1 56 LEU H 1 57 ARG H 2.600 . 3.500 2.400 2.302 2.632 . 0 0 "[ . 1]" 1
838 1 18 GLY HA2 1 19 VAL H 2.800 . 3.800 2.955 2.782 3.139 . 0 0 "[ . 1]" 1
839 1 18 GLY HA3 1 19 VAL H 3.400 . 4.800 3.499 3.422 3.547 . 0 0 "[ . 1]" 1
840 1 43 SER H 1 44 ARG H 2.400 . 3.100 2.535 2.501 2.576 . 0 0 "[ . 1]" 1
841 1 44 ARG H 1 45 LEU H 2.500 . 3.300 2.533 2.439 2.636 . 0 0 "[ . 1]" 1
842 1 44 ARG QB 1 45 LEU H 2.400 . 3.100 2.570 2.387 2.846 . 0 0 "[ . 1]" 1
843 1 41 LEU H 1 42 GLN H 2.600 . 3.400 2.593 2.432 2.763 . 0 0 "[ . 1]" 1
844 1 52 LEU QB 1 53 ILE H 3.000 . 4.100 2.850 2.634 2.924 . 0 0 "[ . 1]" 1
845 1 52 LEU HA 1 53 ILE H 3.100 . 4.300 3.489 3.474 3.534 . 0 0 "[ . 1]" 1
846 1 53 ILE H 1 54 ALA H 2.700 . 3.600 2.742 2.640 2.798 . 0 0 "[ . 1]" 1
847 1 49 ARG QB 1 50 HIS H 3.200 . 4.500 3.244 3.172 3.318 . 0 0 "[ . 1]" 1
848 1 50 HIS H 1 51 GLU H 2.300 . 3.000 2.642 2.510 2.853 . 0 0 "[ . 1]" 1
849 1 26 GLU H 1 27 ARG H 2.500 . 3.300 2.037 1.915 2.160 . 0 0 "[ . 1]" 1
850 1 40 GLU H 1 41 LEU H 2.800 . 3.800 2.669 2.516 2.809 . 0 0 "[ . 1]" 1
851 1 37 MET HG3 1 38 THR H 4.100 . 6.000 4.781 4.646 4.974 . 0 0 "[ . 1]" 1
852 1 37 MET QB 1 38 THR H 3.100 . 4.300 3.741 3.699 3.783 . 0 0 "[ . 1]" 1
853 1 37 MET H 1 38 THR H 3.100 . 4.300 2.869 2.833 2.911 . 0 0 "[ . 1]" 1
854 1 54 ALA H 1 55 LEU H 2.700 . 3.600 2.506 2.389 2.594 . 0 0 "[ . 1]" 1
855 1 58 GLN QG 1 59 LEU H 2.900 . 4.000 2.501 2.199 3.882 . 0 0 "[ . 1]" 1
856 1 58 GLN HA 1 59 LEU H 3.600 . 5.200 3.500 3.427 3.573 . 0 0 "[ . 1]" 1
857 1 65 GLY HA3 1 66 GLY H 2.700 . 3.600 2.732 2.252 3.534 . 0 0 "[ . 1]" 1
858 1 73 ALA HA 1 74 ARG H 3.500 . 5.000 3.193 2.420 3.571 . 0 0 "[ . 1]" 1
859 1 72 VAL HA 1 73 ALA H 2.800 . 3.800 2.512 2.104 3.503 . 0 0 "[ . 1]" 1
860 1 76 GLY HA3 1 77 ARG H 3.300 . 4.600 3.000 2.084 3.542 . 0 0 "[ . 1]" 1
861 1 51 GLU QB 1 52 LEU H 2.600 . 3.400 2.600 2.402 3.454 0.054 1 0 "[ . 1]" 1
862 1 29 ARG QB 1 30 PHE H 4.100 . 6.000 3.033 2.828 3.223 . 0 0 "[ . 1]" 1
863 1 58 GLN QB 1 59 LEU H 3.100 . 4.300 3.406 2.358 3.662 . 0 0 "[ . 1]" 1
864 1 30 PHE H 1 31 GLN H 4.100 . 6.000 4.385 4.315 4.515 . 0 0 "[ . 1]" 1
865 1 36 VAL H 1 37 MET H 2.200 . 2.800 2.492 2.249 2.683 . 0 0 "[ . 1]" 1
866 1 36 VAL HB 1 37 MET H 3.000 . 4.100 4.147 4.080 4.230 0.130 10 0 "[ . 1]" 1
867 1 44 ARG QD 1 45 LEU H 3.700 . 5.400 4.858 4.693 5.317 . 0 0 "[ . 1]" 1
868 1 46 GLY QA 1 47 GLY H 3.000 . 4.100 2.842 2.826 2.856 . 0 0 "[ . 1]" 1
869 1 47 GLY H 1 48 ALA H 2.600 . 3.400 2.564 2.517 2.622 . 0 0 "[ . 1]" 1
870 1 71 PRO QD 1 72 VAL H 4.500 . 6.000 3.654 1.917 4.686 . 0 0 "[ . 1]" 1
871 1 65 GLY HA2 1 66 GLY H 4.000 . 6.000 3.186 2.368 3.564 . 0 0 "[ . 1]" 1
872 1 66 GLY HA3 1 67 SER H 4.400 . 6.000 3.129 2.154 3.564 . 0 0 "[ . 1]" 1
873 1 6 SER HA 1 7 ALA H 3.600 . 5.200 2.668 2.145 3.563 . 0 0 "[ . 1]" 1
874 1 31 GLN H 1 32 ALA H 4.800 . 6.000 4.108 3.867 4.248 . 0 0 "[ . 1]" 1
875 1 48 ALA H 1 49 ARG H 3.400 . 4.900 4.575 4.501 4.600 . 0 0 "[ . 1]" 1
876 1 58 GLN HE21 1 59 LEU H 5.300 . 6.000 4.440 3.961 4.911 . 0 0 "[ . 1]" 1
877 1 18 GLY H 1 19 VAL HB 4.000 . 6.000 4.743 4.516 4.886 . 0 0 "[ . 1]" 1
878 1 20 ARG H 1 21 LEU H 4.500 . 6.000 4.354 4.294 4.391 . 0 0 "[ . 1]" 1
879 1 9 ALA H 1 10 LEU QB 4.200 . 6.000 4.378 4.276 4.475 . 0 0 "[ . 1]" 1
880 1 57 ARG H 1 58 GLN H 2.600 . 3.400 2.683 2.553 2.863 . 0 0 "[ . 1]" 1
881 1 11 LEU H 1 12 ALA H 2.300 . 3.000 2.734 2.647 2.774 . 0 0 "[ . 1]" 1
882 1 10 LEU H 1 11 LEU H 2.600 . 3.400 2.660 2.582 2.706 . 0 0 "[ . 1]" 1
883 1 12 ALA H 1 13 HIS H 2.400 . 3.100 2.842 2.776 2.890 . 0 0 "[ . 1]" 1
884 1 45 LEU H 1 46 GLY H 2.600 . 3.400 2.671 2.536 2.784 . 0 0 "[ . 1]" 1
885 1 43 SER H 1 44 ARG QG 4.100 . 6.000 4.045 3.878 4.169 . 0 0 "[ . 1]" 1
886 1 49 ARG H 1 50 HIS H 3.200 . 4.500 2.717 2.672 2.750 . 0 0 "[ . 1]" 1
887 1 51 GLU H 1 52 LEU H 2.300 . 3.000 2.564 2.466 2.698 . 0 0 "[ . 1]" 1
888 1 47 GLY H 1 48 ALA HA 5.200 . 6.000 5.184 5.154 5.226 . 0 0 "[ . 1]" 1
889 1 36 VAL H 1 37 MET QB 4.300 . 6.000 4.114 3.831 4.324 . 0 0 "[ . 1]" 1
890 1 55 LEU H 1 56 LEU H 2.600 . 3.400 2.490 2.347 2.595 . 0 0 "[ . 1]" 1
891 1 59 LEU H 1 60 GLN HA 5.300 . 6.000 4.867 4.587 5.090 . 0 0 "[ . 1]" 1
892 1 14 ALA H 1 15 ALA H 2.300 . 3.000 2.528 2.430 2.642 . 0 0 "[ . 1]" 1
893 1 15 ALA H 1 16 SER H 2.100 . 2.600 2.599 2.550 2.633 0.033 2 0 "[ . 1]" 1
894 1 21 LEU H 1 22 TRP H 3.800 . 5.700 4.242 4.153 4.322 . 0 0 "[ . 1]" 1
895 1 24 GLU H 1 25 GLY H 5.200 . 6.000 4.098 3.980 4.255 . 0 0 "[ . 1]" 1
896 1 29 ARG H 1 30 PHE H 4.800 . 6.000 4.497 4.462 4.566 . 0 0 "[ . 1]" 1
897 1 32 ALA H 1 33 PRO HD3 5.100 . 6.000 4.237 3.872 4.536 . 0 0 "[ . 1]" 1
898 1 38 THR H 1 39 PRO HA 4.400 . 6.000 5.893 5.864 5.923 . 0 0 "[ . 1]" 1
899 1 42 GLN H 1 43 SER H 2.600 . 3.400 2.695 2.560 2.764 . 0 0 "[ . 1]" 1
900 1 48 ALA H 1 49 ARG QG 4.000 . 6.000 6.074 5.982 6.170 0.170 10 0 "[ . 1]" 1
901 1 49 ARG H 1 50 HIS HA 5.500 . 6.000 5.294 5.246 5.326 . 0 0 "[ . 1]" 1
902 1 50 HIS H 1 51 GLU HA 4.800 . 6.000 5.253 5.138 5.413 . 0 0 "[ . 1]" 1
903 1 72 VAL H 1 73 ALA H 4.000 . 6.000 3.810 2.394 4.491 . 0 0 "[ . 1]" 1
904 1 9 ALA H 1 10 LEU H 2.300 . 3.000 2.682 2.600 2.758 . 0 0 "[ . 1]" 1
905 1 22 TRP HE1 1 29 ARG QD 4.100 . 6.000 4.201 3.677 4.626 . 0 0 "[ . 1]" 1
906 1 14 ALA H 1 19 VAL HB 4.600 . 6.000 5.843 5.524 6.054 0.054 3 0 "[ . 1]" 1
907 1 20 ARG H 1 31 GLN QB 3.900 . 5.800 2.785 2.172 3.159 . 0 0 "[ . 1]" 1
908 1 24 GLU H 1 29 ARG QG 4.900 . 6.000 4.123 2.398 5.342 . 0 0 "[ . 1]" 1
909 1 10 LEU H 1 13 HIS QB 5.200 . 6.000 5.468 4.787 5.586 . 0 0 "[ . 1]" 1
910 1 46 GLY H 1 48 ALA H 5.200 . 6.000 4.900 4.792 5.065 . 0 0 "[ . 1]" 1
911 1 53 ILE H 1 55 LEU H 4.700 . 6.000 3.764 3.691 3.877 . 0 0 "[ . 1]" 1
912 1 38 THR H 1 41 LEU H 4.100 . 6.000 4.403 4.301 4.474 . 0 0 "[ . 1]" 1
913 1 52 LEU H 1 54 ALA H 3.900 . 5.800 4.303 4.015 4.490 . 0 0 "[ . 1]" 1
914 1 55 LEU H 1 57 ARG H 4.300 . 6.000 3.741 3.638 3.820 . 0 0 "[ . 1]" 1
915 1 22 TRP H 1 28 LEU HA 5.300 . 6.000 4.537 4.431 4.671 . 0 0 "[ . 1]" 1
916 1 22 TRP H 1 29 ARG QB 5.100 . 6.000 3.353 3.093 3.580 . 0 0 "[ . 1]" 1
917 1 23 VAL H 1 56 LEU QB 3.500 . 6.000 5.054 4.218 5.938 . 0 0 "[ . 1]" 1
918 1 52 LEU H 1 55 LEU QB 3.100 . 6.000 4.273 4.074 4.583 . 0 0 "[ . 1]" 1
919 1 24 GLU H 1 29 ARG QD 5.000 . 6.000 3.360 2.745 3.936 . 0 0 "[ . 1]" 1
920 1 12 ALA H 1 15 ALA H 3.600 . 5.200 4.713 4.607 4.844 . 0 0 "[ . 1]" 1
921 1 13 HIS H 1 15 ALA H 4.000 . 6.000 4.120 3.985 4.273 . 0 0 "[ . 1]" 1
922 1 18 GLY H 1 58 GLN HE22 5.200 . 6.000 4.535 3.955 4.963 . 0 0 "[ . 1]" 1
923 1 19 VAL H 1 58 GLN HE21 4.500 . 6.000 4.811 4.479 5.060 . 0 0 "[ . 1]" 1
924 1 20 ARG H 1 30 PHE HA 5.800 . 6.000 4.975 4.803 5.165 . 0 0 "[ . 1]" 1
925 1 20 ARG H 1 31 GLN QG 5.400 . 6.000 3.772 3.064 4.117 . 0 0 "[ . 1]" 1
926 1 22 TRP H 1 30 PHE QB 6.000 . 6.000 5.506 5.318 5.696 . 0 0 "[ . 1]" 1
927 1 23 VAL H 1 28 LEU HA 5.100 . 6.000 4.443 4.206 4.798 . 0 0 "[ . 1]" 1
928 1 24 GLU H 1 28 LEU HA 3.000 . 4.100 3.059 2.709 3.360 . 0 0 "[ . 1]" 1
929 1 24 GLU H 1 26 GLU HA 4.800 . 6.000 5.756 5.331 6.015 0.015 1 0 "[ . 1]" 1
930 1 8 GLY H 1 10 LEU H 5.100 . 6.000 4.219 4.123 4.388 . 0 0 "[ . 1]" 1
931 1 9 ALA H 1 11 LEU H 4.500 . 6.000 4.173 4.085 4.285 . 0 0 "[ . 1]" 1
932 1 52 LEU H 1 55 LEU H 4.700 . 6.000 4.562 4.497 4.701 . 0 0 "[ . 1]" 1
933 1 14 ALA H 1 17 LEU HG 4.600 . 6.000 5.209 4.986 5.350 . 0 0 "[ . 1]" 1
934 1 20 ARG H 1 31 GLN HA 6.000 . 6.000 4.645 4.507 4.826 . 0 0 "[ . 1]" 1
935 1 22 TRP H 1 30 PHE H 6.000 . 6.000 5.209 5.064 5.352 . 0 0 "[ . 1]" 1
936 1 43 SER H 1 45 LEU H 4.900 . 6.000 4.112 3.982 4.221 . 0 0 "[ . 1]" 1
937 1 54 ALA H 1 56 LEU H 4.900 . 6.000 4.154 3.962 4.321 . 0 0 "[ . 1]" 1
938 1 58 GLN H 1 60 GLN H 4.400 . 6.000 4.037 3.914 4.152 . 0 0 "[ . 1]" 1
939 1 16 SER H 1 18 GLY H 4.500 . 6.000 3.805 3.701 3.926 . 0 0 "[ . 1]" 1
940 1 14 ALA H 1 16 SER H 4.800 . 6.000 3.901 3.785 4.020 . 0 0 "[ . 1]" 1
941 1 12 ALA H 1 14 ALA H 4.500 . 6.000 4.094 4.029 4.137 . 0 0 "[ . 1]" 1
942 1 19 VAL HA 1 31 GLN H 5.000 . 6.000 4.774 4.523 5.007 . 0 0 "[ . 1]" 1
943 1 21 LEU HG 1 31 GLN H 4.000 . 6.000 3.619 3.393 3.768 . 0 0 "[ . 1]" 1
944 1 21 LEU QB 1 31 GLN H 3.600 . 5.200 5.089 4.979 5.140 . 0 0 "[ . 1]" 1
945 1 6 SER HA 1 9 ALA H 4.200 . 6.000 3.805 3.258 4.482 . 0 0 "[ . 1]" 1
946 1 56 LEU H 1 58 GLN H 4.900 . 6.000 3.949 3.797 4.118 . 0 0 "[ . 1]" 1
947 1 6 SER HA 1 10 LEU H 3.900 . 5.800 4.699 4.241 5.098 . 0 0 "[ . 1]" 1
948 1 8 GLY HA2 1 12 ALA H 4.100 . 6.000 3.754 3.562 3.901 . 0 0 "[ . 1]" 1
949 1 15 ALA H 1 19 VAL H 4.000 . 6.000 5.112 4.939 5.263 . 0 0 "[ . 1]" 1
950 1 16 SER H 1 19 VAL H 3.800 . 5.600 5.472 5.255 5.594 . 0 0 "[ . 1]" 1
951 1 17 LEU H 1 19 VAL H 4.200 . 6.000 3.964 3.689 4.256 . 0 0 "[ . 1]" 1
952 1 42 GLN H 1 44 ARG H 4.500 . 6.000 3.931 3.881 4.003 . 0 0 "[ . 1]" 1
953 1 42 GLN HG3 1 44 ARG H 4.600 . 6.000 5.434 5.206 5.809 . 0 0 "[ . 1]" 1
954 1 43 SER HA 1 46 GLY H 3.500 . 5.000 3.303 3.109 3.497 . 0 0 "[ . 1]" 1
955 1 44 ARG QG 1 46 GLY H 3.300 . 6.000 5.575 5.372 5.732 . 0 0 "[ . 1]" 1
956 1 41 LEU H 1 43 SER H 4.400 . 6.000 4.022 3.877 4.183 . 0 0 "[ . 1]" 1
957 1 38 THR HA 1 42 GLN H 3.300 . 6.000 5.296 4.950 5.548 . 0 0 "[ . 1]" 1
958 1 50 HIS HA 1 53 ILE H 3.900 . 5.800 3.491 3.280 3.705 . 0 0 "[ . 1]" 1
959 1 49 ARG HA 1 53 ILE H 4.200 . 6.000 4.129 3.860 4.362 . 0 0 "[ . 1]" 1
960 1 51 GLU H 1 53 ILE H 3.900 . 5.800 3.888 3.752 4.086 . 0 0 "[ . 1]" 1
961 1 51 GLU H 1 54 ALA H 3.700 . 5.400 4.924 4.761 5.052 . 0 0 "[ . 1]" 1
962 1 50 HIS QB 1 54 ALA H 3.900 . 5.800 5.026 4.958 5.200 . 0 0 "[ . 1]" 1
963 1 49 ARG H 1 51 GLU H 4.600 . 6.000 4.011 3.848 4.697 . 0 0 "[ . 1]" 1
964 1 19 VAL H 1 58 GLN HE22 4.700 . 6.000 3.734 3.520 3.893 . 0 0 "[ . 1]" 1
965 1 56 LEU QB 1 58 GLN HE21 3.800 . 6.000 6.114 5.997 6.311 0.311 4 0 "[ . 1]" 1
966 1 24 GLU H 1 27 ARG H 3.300 . 4.700 3.608 3.371 3.933 . 0 0 "[ . 1]" 1
967 1 43 SER HA 1 47 GLY H 3.100 . 6.000 5.676 5.131 6.021 0.021 9 0 "[ . 1]" 1
968 1 38 THR H 1 40 GLU H 5.100 . 6.000 5.483 5.364 5.623 . 0 0 "[ . 1]" 1
969 1 36 VAL HA 1 38 THR H 3.700 . 5.500 3.387 3.353 3.427 . 0 0 "[ . 1]" 1
970 1 36 VAL HB 1 38 THR H 3.400 . 4.800 4.735 4.643 4.808 0.008 1 0 "[ . 1]" 1
971 1 52 LEU HB3 1 55 LEU H 5.200 . 6.000 4.824 4.657 4.997 . 0 0 "[ . 1]" 1
972 1 57 ARG QB 1 59 LEU H 2.300 . 6.000 4.744 4.553 4.906 . 0 0 "[ . 1]" 1
973 1 56 LEU QB 1 59 LEU H 3.500 . 5.000 4.896 4.411 5.158 0.158 10 0 "[ . 1]" 1
974 1 20 ARG HA 1 59 LEU H 3.200 . 6.000 5.973 5.583 6.395 0.395 1 0 "[ . 1]" 1
975 1 57 ARG H 1 59 LEU H 5.000 . 6.000 4.249 4.051 4.410 . 0 0 "[ . 1]" 1
976 1 27 ARG HB3 1 29 ARG H 4.300 . 6.000 5.360 5.081 5.594 . 0 0 "[ . 1]" 1
977 1 50 HIS QB 1 52 LEU H 4.800 . 6.000 5.201 5.004 5.274 . 0 0 "[ . 1]" 1
978 1 22 TRP HD1 1 24 GLU H 5.500 . 6.000 4.565 4.344 4.862 . 0 0 "[ . 1]" 1
979 1 14 ALA H 1 17 LEU H 5.600 . 6.000 4.744 4.673 4.877 . 0 0 "[ . 1]" 1
980 1 15 ALA H 1 17 LEU H 5.000 . 6.000 4.115 3.955 4.265 . 0 0 "[ . 1]" 1
981 1 7 ALA HA 1 9 ALA H 3.700 . 5.400 4.453 4.141 4.686 . 0 0 "[ . 1]" 1
982 1 13 HIS HB2 1 16 SER H 5.800 . 6.000 5.394 5.207 5.720 . 0 0 "[ . 1]" 1
983 1 15 ALA H 1 18 GLY H 5.400 . 6.000 4.520 4.394 4.622 . 0 0 "[ . 1]" 1
984 1 15 ALA HA 1 18 GLY H 3.700 . 5.500 3.197 3.118 3.389 . 0 0 "[ . 1]" 1
985 1 57 ARG HA 1 60 GLN HE21 4.600 . 6.000 4.006 1.981 5.142 0.019 6 0 "[ . 1]" 1
986 1 18 GLY H 1 58 GLN HE21 5.800 . 6.000 5.660 5.056 6.021 0.021 4 0 "[ . 1]" 1
987 1 54 ALA H 1 57 ARG H 5.300 . 6.000 4.571 4.429 4.721 . 0 0 "[ . 1]" 1
988 1 20 ARG HB3 1 59 LEU H 2.600 . 6.000 5.918 5.516 6.089 0.089 8 0 "[ . 1]" 1
989 1 20 ARG QB 1 31 GLN H 3.600 . 5.200 3.405 3.160 3.728 . 0 0 "[ . 1]" 1
990 1 34 PRO QG 1 36 VAL H 2.500 . 6.000 5.345 5.025 5.580 . 0 0 "[ . 1]" 1
991 1 33 PRO HD2 1 37 MET H 3.900 . 5.800 5.514 5.213 5.788 . 0 0 "[ . 1]" 1
992 1 38 THR H 1 42 GLN H 3.200 . 6.000 5.037 4.669 5.326 . 0 0 "[ . 1]" 1
993 1 45 LEU HB3 1 48 ALA H 3.900 . 5.800 5.015 4.681 5.217 . 0 0 "[ . 1]" 1
994 1 48 ALA HA 1 50 HIS H 5.300 . 6.000 4.574 4.330 4.683 . 0 0 "[ . 1]" 1
995 1 50 HIS QB 1 53 ILE H 5.400 . 6.000 4.905 4.738 5.079 . 0 0 "[ . 1]" 1
996 1 23 VAL HA 1 29 ARG H 3.500 . 5.100 2.871 2.629 3.118 . 0 0 "[ . 1]" 1
997 1 10 LEU HA 1 12 ALA H 3.600 . 5.300 4.544 4.467 4.660 . 0 0 "[ . 1]" 1
998 1 38 THR HA 1 41 LEU H 3.500 . 5.000 4.674 4.590 4.766 . 0 0 "[ . 1]" 1
999 1 8 GLY HA3 1 12 ALA H 5.500 . 6.000 4.659 4.537 4.824 . 0 0 "[ . 1]" 1
1000 1 50 HIS HE1 1 52 LEU H 4.600 . 6.000 6.130 6.081 6.190 0.190 6 0 "[ . 1]" 1
1001 1 22 TRP HE1 1 24 GLU H 6.000 . 6.000 5.574 5.217 5.782 . 0 0 "[ . 1]" 1
1002 1 34 PRO QB 1 36 VAL H 4.700 . 6.000 4.896 4.771 4.939 . 0 0 "[ . 1]" 1
1003 1 39 PRO HD2 1 41 LEU H 5.200 . 6.000 4.867 4.721 4.929 . 0 0 "[ . 1]" 1
1004 1 39 PRO QD 1 42 GLN H 4.600 . 6.000 5.187 4.928 5.342 . 0 0 "[ . 1]" 1
1005 1 37 MET HG3 1 42 GLN H 5.600 . 6.000 5.319 5.039 5.840 . 0 0 "[ . 1]" 1
1006 1 42 GLN H 1 45 LEU H 4.800 . 6.000 4.665 4.495 4.824 . 0 0 "[ . 1]" 1
1007 1 51 GLU HG3 1 55 LEU H 5.800 . 6.000 5.556 5.133 6.320 0.320 1 0 "[ . 1]" 1
1008 1 56 LEU H 1 59 LEU H 5.200 . 6.000 5.222 5.045 5.408 . 0 0 "[ . 1]" 1
1009 1 57 ARG HA 1 59 LEU H 4.800 . 6.000 3.897 3.670 4.242 . 0 0 "[ . 1]" 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 40
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 16.201
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0523
_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 8 GLY 0.000 0.000 . 0 "[ . 1]"
1 9 ALA 0.000 0.000 . 0 "[ . 1]"
1 10 LEU 0.000 0.000 . 0 "[ . 1]"
1 11 LEU 0.000 0.000 . 0 "[ . 1]"
1 12 ALA 0.000 0.000 . 0 "[ . 1]"
1 13 HIS 0.000 0.000 . 0 "[ . 1]"
1 14 ALA 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 0.000 0.000 . 0 "[ . 1]"
1 16 SER 0.000 0.000 . 0 "[ . 1]"
1 20 ARG 0.000 0.000 . 0 "[ . 1]"
1 22 TRP 0.000 0.000 . 0 "[ . 1]"
1 24 GLU 0.132 0.057 8 0 "[ . 1]"
1 27 ARG 0.132 0.057 8 0 "[ . 1]"
1 29 ARG 0.000 0.000 . 0 "[ . 1]"
1 31 GLN 0.000 0.000 . 0 "[ . 1]"
1 39 PRO 0.025 0.021 2 0 "[ . 1]"
1 40 GLU 0.000 0.000 . 0 "[ . 1]"
1 41 LEU 0.000 0.000 . 0 "[ . 1]"
1 43 SER 0.025 0.021 2 0 "[ . 1]"
1 44 ARG 0.000 0.000 . 0 "[ . 1]"
1 45 LEU 0.000 0.000 . 0 "[ . 1]"
1 49 ARG 0.000 0.000 . 0 "[ . 1]"
1 50 HIS 0.766 0.097 3 0 "[ . 1]"
1 51 GLU 0.022 0.012 4 0 "[ . 1]"
1 52 LEU 0.000 0.000 . 0 "[ . 1]"
1 53 ILE 0.000 0.000 . 0 "[ . 1]"
1 54 ALA 1.441 0.135 4 0 "[ . 1]"
1 55 LEU 0.022 0.012 4 0 "[ . 1]"
1 56 LEU 0.000 0.000 . 0 "[ . 1]"
1 57 ARG 0.000 0.000 . 0 "[ . 1]"
1 58 GLN 0.675 0.135 4 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 8 GLY O 1 12 ALA N 0.000 . 3.300 2.733 2.670 2.805 . 0 0 "[ . 1]" 2
2 1 8 GLY O 1 12 ALA H 0.000 . 2.300 1.797 1.712 1.900 . 0 0 "[ . 1]" 2
3 1 9 ALA O 1 13 HIS N 0.000 . 3.300 2.966 2.831 3.118 . 0 0 "[ . 1]" 2
4 1 9 ALA O 1 13 HIS H 0.000 . 2.300 2.016 1.869 2.225 . 0 0 "[ . 1]" 2
5 1 10 LEU O 1 14 ALA N 0.000 . 3.300 2.950 2.813 3.104 . 0 0 "[ . 1]" 2
6 1 10 LEU O 1 14 ALA H 0.000 . 2.300 2.075 1.924 2.227 . 0 0 "[ . 1]" 2
7 1 11 LEU O 1 15 ALA N 0.000 . 3.300 2.833 2.704 3.010 . 0 0 "[ . 1]" 2
8 1 11 LEU O 1 15 ALA H 0.000 . 2.300 1.894 1.759 2.042 . 0 0 "[ . 1]" 2
9 1 12 ALA O 1 16 SER N 0.000 . 3.300 2.869 2.720 3.037 . 0 0 "[ . 1]" 2
10 1 12 ALA O 1 16 SER H 0.000 . 2.300 1.968 1.846 2.164 . 0 0 "[ . 1]" 2
11 1 20 ARG O 1 31 GLN N 0.000 . 3.300 2.772 2.687 2.865 . 0 0 "[ . 1]" 2
12 1 20 ARG O 1 31 GLN H 0.000 . 2.300 1.866 1.745 2.080 . 0 0 "[ . 1]" 2
13 1 20 ARG N 1 31 GLN O 0.000 . 3.300 2.823 2.742 3.115 . 0 0 "[ . 1]" 2
14 1 20 ARG H 1 31 GLN O 0.000 . 2.300 1.861 1.768 2.238 . 0 0 "[ . 1]" 2
15 1 22 TRP O 1 29 ARG N 0.000 . 3.300 2.679 2.628 2.760 . 0 0 "[ . 1]" 2
16 1 22 TRP O 1 29 ARG H 0.000 . 2.300 1.727 1.668 1.785 . 0 0 "[ . 1]" 2
17 1 22 TRP N 1 29 ARG O 0.000 . 3.300 3.095 2.988 3.216 . 0 0 "[ . 1]" 2
18 1 22 TRP H 1 29 ARG O 0.000 . 2.300 2.140 2.014 2.279 . 0 0 "[ . 1]" 2
19 1 24 GLU O 1 27 ARG N 0.000 . 3.300 3.140 3.088 3.281 . 0 0 "[ . 1]" 2
20 1 24 GLU O 1 27 ARG H 0.000 . 2.300 2.232 2.132 2.357 0.057 8 0 "[ . 1]" 2
21 1 24 GLU N 1 27 ARG O 0.000 . 3.300 2.805 2.700 2.968 . 0 0 "[ . 1]" 2
22 1 24 GLU H 1 27 ARG O 0.000 . 2.300 1.845 1.728 2.031 . 0 0 "[ . 1]" 2
23 1 39 PRO O 1 43 SER N 0.000 . 3.300 3.025 2.882 3.187 . 0 0 "[ . 1]" 2
24 1 39 PRO O 1 43 SER H 0.000 . 2.300 2.137 1.975 2.321 0.021 2 0 "[ . 1]" 2
25 1 40 GLU O 1 44 ARG N 0.000 . 3.300 2.941 2.823 3.107 . 0 0 "[ . 1]" 2
26 1 40 GLU O 1 44 ARG H 0.000 . 2.300 2.141 2.019 2.286 . 0 0 "[ . 1]" 2
27 1 41 LEU O 1 45 LEU N 0.000 . 3.300 2.797 2.654 2.948 . 0 0 "[ . 1]" 2
28 1 41 LEU O 1 45 LEU H 0.000 . 2.300 1.868 1.689 2.012 . 0 0 "[ . 1]" 2
29 1 49 ARG O 1 53 ILE N 0.000 . 3.300 2.878 2.706 3.159 . 0 0 "[ . 1]" 2
30 1 49 ARG O 1 53 ILE H 0.000 . 2.300 1.985 1.805 2.242 . 0 0 "[ . 1]" 2
31 1 50 HIS O 1 54 ALA N 0.000 . 3.300 3.303 3.262 3.343 0.043 5 0 "[ . 1]" 2
32 1 50 HIS O 1 54 ALA H 0.000 . 2.300 2.364 2.331 2.397 0.097 3 0 "[ . 1]" 2
33 1 51 GLU O 1 55 LEU N 0.000 . 3.300 2.919 2.782 3.123 . 0 0 "[ . 1]" 2
34 1 51 GLU O 1 55 LEU H 0.000 . 2.300 2.142 1.953 2.312 0.012 4 0 "[ . 1]" 2
35 1 52 LEU O 1 56 LEU N 0.000 . 3.300 2.844 2.727 3.109 . 0 0 "[ . 1]" 2
36 1 52 LEU O 1 56 LEU H 0.000 . 2.300 1.977 1.814 2.229 . 0 0 "[ . 1]" 2
37 1 53 ILE O 1 57 ARG N 0.000 . 3.300 2.898 2.709 3.035 . 0 0 "[ . 1]" 2
38 1 53 ILE O 1 57 ARG H 0.000 . 2.300 2.021 1.819 2.149 . 0 0 "[ . 1]" 2
39 1 54 ALA O 1 58 GLN N 0.000 . 3.300 3.119 2.972 3.229 . 0 0 "[ . 1]" 2
40 1 54 ALA O 1 58 GLN H 0.000 . 2.300 2.358 2.203 2.435 0.135 4 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 12:11:59 AM GMT (wattos1)