NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
495062 |
2l3m   |
17196 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l3m
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 1327
_Distance_constraint_stats_list.Viol_count 1096
_Distance_constraint_stats_list.Viol_total 2485.893
_Distance_constraint_stats_list.Viol_max 0.996
_Distance_constraint_stats_list.Viol_rms 0.0360
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.1134
_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 SER 2.220 0.726 15 2 "[ . 1 -+ 2]"
1 2 ASN 3.470 0.996 3 2 "[ + . - 1 . 2]"
1 3 ALA 0.057 0.057 15 0 "[ . 1 . 2]"
1 4 MET 8.747 0.716 13 8 "[** -.* 1* + ** 2]"
1 5 GLU 2.875 0.416 15 0 "[ . 1 . 2]"
1 6 GLN 6.977 0.497 18 0 "[ . 1 . 2]"
1 7 LEU 3.749 0.242 18 0 "[ . 1 . 2]"
1 8 THR 3.751 0.867 7 3 "[ . + 1 .- * 2]"
1 9 LEU 7.279 0.862 5 7 "[ ** +* 1 * . -*]"
1 10 GLN 0.476 0.065 9 0 "[ . 1 . 2]"
1 11 VAL 6.022 0.341 17 0 "[ . 1 . 2]"
1 12 GLU 2.738 0.584 18 1 "[ . 1 . + 2]"
1 13 GLY 0.106 0.061 9 0 "[ . 1 . 2]"
1 14 MET 5.413 0.374 15 0 "[ . 1 . 2]"
1 15 SER 1.122 0.402 6 0 "[ . 1 . 2]"
1 16 CYS 0.036 0.036 16 0 "[ . 1 . 2]"
1 17 GLY 0.466 0.123 10 0 "[ . 1 . 2]"
1 18 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 0.036 0.036 16 0 "[ . 1 . 2]"
1 20 VAL 2.187 0.402 6 0 "[ . 1 . 2]"
1 21 ASN 0.198 0.084 19 0 "[ . 1 . 2]"
1 22 ALA 2.732 0.218 3 0 "[ . 1 . 2]"
1 23 ILE 4.753 0.283 8 0 "[ . 1 . 2]"
1 24 GLU 2.154 0.229 1 0 "[ . 1 . 2]"
1 25 SER 2.648 0.164 5 0 "[ . 1 . 2]"
1 26 SER 4.884 0.565 4 1 "[ +. 1 . 2]"
1 27 VAL 2.964 0.682 9 2 "[ -. +1 . 2]"
1 28 LYS 11.288 0.738 8 3 "[ . + -* . 2]"
1 29 GLU 4.311 0.299 1 0 "[ . 1 . 2]"
1 30 LEU 4.495 0.621 20 1 "[ . 1 . +]"
1 31 ASN 1.700 0.621 20 1 "[ . 1 . +]"
1 32 GLY 2.304 0.409 12 0 "[ . 1 . 2]"
1 33 VAL 4.192 0.738 8 3 "[ . + -* . 2]"
1 34 GLU 7.407 0.738 8 3 "[ . + -* . 2]"
1 35 GLN 2.282 0.716 13 2 "[ -. 1 + . 2]"
1 36 VAL 6.100 0.341 16 0 "[ . 1 . 2]"
1 37 LYS 2.647 0.958 6 2 "[ .+ -1 . 2]"
1 38 VAL 8.266 0.242 18 0 "[ . 1 . 2]"
1 39 GLN 2.923 0.341 17 0 "[ . 1 . 2]"
1 40 LEU 3.542 0.402 6 0 "[ . 1 . 2]"
1 41 ALA 0.529 0.110 1 0 "[ . 1 . 2]"
1 42 GLU 3.114 0.738 5 1 "[ + 1 . 2]"
1 43 GLY 0.532 0.130 19 0 "[ . 1 . 2]"
1 44 THR 4.327 0.738 5 1 "[ + 1 . 2]"
1 45 VAL 9.097 0.862 5 7 "[ ** +* 1 * . -*]"
1 46 GLU 6.547 0.958 6 5 "[ .+* *1 .- * 2]"
1 47 VAL 0.167 0.087 15 0 "[ . 1 . 2]"
1 48 THR 6.758 0.716 13 2 "[ -. 1 + . 2]"
1 49 ILE 11.332 0.608 1 2 "[+ - 1 . 2]"
1 50 ASP 1.692 0.409 12 0 "[ . 1 . 2]"
1 51 SER 9.234 0.608 1 2 "[+ - 1 . 2]"
1 52 SER 2.298 0.726 15 2 "[ . 1 -+ 2]"
1 53 VAL 5.057 0.996 3 2 "[ + . - 1 . 2]"
1 54 VAL 10.296 0.499 20 0 "[ . 1 . 2]"
1 55 THR 0.352 0.096 3 0 "[ . 1 . 2]"
1 56 LEU 7.781 0.483 9 0 "[ . 1 . 2]"
1 57 LYS 3.938 0.483 9 0 "[ . 1 . 2]"
1 58 ASP 1.631 0.428 9 0 "[ . 1 . 2]"
1 59 ILE 1.541 0.132 5 0 "[ . 1 . 2]"
1 60 VAL 1.850 0.483 9 0 "[ . 1 . 2]"
1 61 ALA 0.588 0.112 13 0 "[ . 1 . 2]"
1 62 VAL 1.293 0.342 18 0 "[ . 1 . 2]"
1 63 ILE 4.086 0.565 4 1 "[ +. 1 . 2]"
1 64 GLU 1.655 0.175 10 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLN 2.214 0.218 3 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TYR 2.055 0.335 13 0 "[ . 1 . 2]"
1 69 ASP 2.614 0.584 18 1 "[ . 1 . + 2]"
1 70 VAL 1.536 0.216 14 0 "[ . 1 . 2]"
1 71 GLN 0.020 0.020 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET HA 1 5 GLU H 2.100 . 2.600 2.121 2.070 2.205 . 0 0 "[ . 1 . 2]" 1
2 1 48 THR HA 1 49 ILE H 2.000 . 2.500 2.176 2.149 2.208 . 0 0 "[ . 1 . 2]" 1
3 1 30 LEU HA 1 31 ASN H 2.100 . 2.600 2.211 2.119 2.494 . 0 0 "[ . 1 . 2]" 1
4 1 6 GLN HA 1 7 LEU H 2.100 . 2.600 2.151 2.111 2.183 . 0 0 "[ . 1 . 2]" 1
5 1 5 GLU HA 1 6 GLN H 2.100 . 2.700 2.192 2.142 2.287 . 0 0 "[ . 1 . 2]" 1
6 1 57 LYS H 1 57 LYS QB 2.100 . 2.700 2.117 2.042 2.202 . 0 0 "[ . 1 . 2]" 1
7 1 31 ASN HA 1 32 GLY H 2.100 . 2.700 2.158 2.121 2.337 . 0 0 "[ . 1 . 2]" 1
8 1 33 VAL H 1 33 VAL HB 2.100 . 2.700 2.466 2.409 2.579 . 0 0 "[ . 1 . 2]" 1
9 1 38 VAL HA 1 39 GLN H 2.100 . 2.600 2.135 2.077 2.210 . 0 0 "[ . 1 . 2]" 1
10 1 61 ALA H 1 61 ALA MB 2.200 . 2.800 2.231 2.219 2.243 . 0 0 "[ . 1 . 2]" 1
11 1 53 VAL H 1 54 VAL H 2.100 . 2.700 2.351 2.122 2.509 . 0 0 "[ . 1 . 2]" 1
12 1 55 THR H 1 55 THR MG 2.200 . 2.800 2.493 2.151 2.812 0.012 17 0 "[ . 1 . 2]" 1
13 1 49 ILE HA 1 50 ASP H 2.200 . 2.800 2.300 2.203 2.418 . 0 0 "[ . 1 . 2]" 1
14 1 34 GLU H 1 35 GLN H 2.200 . 2.800 2.589 2.403 2.748 . 0 0 "[ . 1 . 2]" 1
15 1 33 VAL HA 1 34 GLU H 2.100 . 2.700 2.104 2.053 2.178 . 0 0 "[ . 1 . 2]" 1
16 1 44 THR HA 1 45 VAL H 2.200 . 2.800 2.361 2.230 2.554 . 0 0 "[ . 1 . 2]" 1
17 1 54 VAL HA 1 55 THR H 2.200 . 2.800 2.294 2.208 2.366 . 0 0 "[ . 1 . 2]" 1
18 1 10 GLN HA 1 11 VAL H 2.200 . 2.800 2.197 2.110 2.285 . 0 0 "[ . 1 . 2]" 1
19 1 46 GLU HA 1 47 VAL H 2.200 . 2.800 2.152 2.118 2.193 . 0 0 "[ . 1 . 2]" 1
20 1 55 THR HA 1 56 LEU H 2.300 . 2.900 2.422 2.344 2.674 . 0 0 "[ . 1 . 2]" 1
21 1 14 MET H 1 14 MET QB 2.700 . 3.600 2.521 2.252 3.289 . 0 0 "[ . 1 . 2]" 1
22 1 28 LYS H 1 28 LYS QB 2.200 . 2.800 2.203 2.002 2.259 . 0 0 "[ . 1 . 2]" 1
23 1 62 VAL H 1 62 VAL HB 2.300 . 2.900 2.527 2.470 2.589 . 0 0 "[ . 1 . 2]" 1
24 1 29 GLU H 1 29 GLU QB 2.300 . 3.000 2.345 2.161 2.434 . 0 0 "[ . 1 . 2]" 1
25 1 54 VAL H 1 54 VAL MG2 2.700 . 3.600 3.860 3.828 3.888 0.288 3 0 "[ . 1 . 2]" 1
26 1 35 GLN HA 1 36 VAL H 2.300 . 3.000 2.258 2.171 2.390 . 0 0 "[ . 1 . 2]" 1
27 1 35 GLN H 1 35 GLN HB2 2.300 . 3.000 2.464 2.280 2.633 . 0 0 "[ . 1 . 2]" 1
28 1 35 GLN H 1 35 GLN HB3 2.500 . 3.300 2.674 2.242 3.095 . 0 0 "[ . 1 . 2]" 1
29 1 49 ILE HB 1 50 ASP H 2.300 . 2.900 2.547 2.297 2.855 . 0 0 "[ . 1 . 2]" 1
30 1 58 ASP H 1 58 ASP HB2 2.300 . 3.000 2.469 2.280 2.614 . 0 0 "[ . 1 . 2]" 1
31 1 50 ASP HA 1 51 SER H 2.300 . 3.000 2.169 2.145 2.226 . 0 0 "[ . 1 . 2]" 1
32 1 52 SER H 1 53 VAL H 2.400 . 3.100 2.300 2.186 2.403 . 0 0 "[ . 1 . 2]" 1
33 1 47 VAL HA 1 48 THR H 2.300 . 3.000 2.163 2.117 2.207 . 0 0 "[ . 1 . 2]" 1
34 1 31 ASN H 1 31 ASN HB2 2.400 . 3.100 2.566 2.180 2.809 . 0 0 "[ . 1 . 2]" 1
35 1 3 ALA HA 1 4 MET H 2.400 . 3.100 2.176 2.141 2.262 . 0 0 "[ . 1 . 2]" 1
36 1 4 MET H 1 4 MET HB2 2.400 . 3.100 2.836 2.314 3.695 0.595 15 6 "[** .- 1* +* 2]" 1
37 1 62 VAL H 1 62 VAL QG 2.800 . 3.500 2.125 2.017 2.256 . 0 0 "[ . 1 . 2]" 1
38 1 55 THR HB 1 56 LEU H 2.400 . 3.100 2.405 1.985 2.628 . 0 0 "[ . 1 . 2]" 1
39 1 69 ASP HA 1 70 VAL H 2.400 . 3.100 2.154 2.117 2.208 . 0 0 "[ . 1 . 2]" 1
40 1 38 VAL H 1 39 GLN HA 2.500 . 6.000 5.187 5.024 5.315 . 0 0 "[ . 1 . 2]" 1
41 1 32 GLY H 1 33 VAL H 2.400 . 3.100 2.178 1.907 2.683 . 0 0 "[ . 1 . 2]" 1
42 1 68 TYR HA 1 69 ASP H 2.400 . 3.100 2.292 2.205 2.438 . 0 0 "[ . 1 . 2]" 1
43 1 27 VAL H 1 27 VAL MG2 2.400 . 3.100 2.194 2.031 3.782 0.682 9 1 "[ . +1 . 2]" 1
44 1 56 LEU H 1 56 LEU HB3 2.500 . 6.000 2.954 2.456 3.660 . 0 0 "[ . 1 . 2]" 1
45 1 60 VAL HB 1 61 ALA H 2.400 . 3.100 2.563 2.335 2.794 . 0 0 "[ . 1 . 2]" 1
46 1 8 THR HA 1 9 LEU H 2.400 . 3.100 2.160 2.131 2.197 . 0 0 "[ . 1 . 2]" 1
47 1 59 ILE H 1 59 ILE HB 2.400 . 3.100 2.596 2.455 2.669 . 0 0 "[ . 1 . 2]" 1
48 1 43 GLY H 1 43 GLY QA 2.400 . 3.100 2.234 2.212 2.262 . 0 0 "[ . 1 . 2]" 1
49 1 32 GLY H 1 32 GLY HA2 2.400 . 3.100 2.431 2.289 2.502 . 0 0 "[ . 1 . 2]" 1
50 1 23 ILE MG 1 24 GLU H 2.400 . 3.100 2.191 2.061 2.267 . 0 0 "[ . 1 . 2]" 1
51 1 50 ASP H 1 50 ASP HB2 2.500 . 3.300 2.689 2.419 2.873 . 0 0 "[ . 1 . 2]" 1
52 1 57 LYS H 1 58 ASP H 2.500 . 3.300 2.695 2.603 2.855 . 0 0 "[ . 1 . 2]" 1
53 1 60 VAL H 1 60 VAL MG2 2.900 . 4.000 2.096 1.935 2.458 . 0 0 "[ . 1 . 2]" 1
54 1 27 VAL H 1 27 VAL HB 2.400 . 3.100 2.604 2.519 2.779 . 0 0 "[ . 1 . 2]" 1
55 1 64 GLU H 1 64 GLU HB2 2.400 . 3.100 2.537 2.481 2.567 . 0 0 "[ . 1 . 2]" 1
56 1 63 ILE H 1 63 ILE HB 2.400 . 3.100 2.468 2.257 2.622 . 0 0 "[ . 1 . 2]" 1
57 1 65 ASP H 1 65 ASP HB2 2.500 . 3.300 2.557 2.495 2.661 . 0 0 "[ . 1 . 2]" 1
58 1 21 ASN H 1 21 ASN QB 2.500 . 3.300 2.374 2.231 2.598 . 0 0 "[ . 1 . 2]" 1
59 1 67 GLY H 1 67 GLY HA2 2.400 . 3.100 2.402 2.350 2.454 . 0 0 "[ . 1 . 2]" 1
60 1 22 ALA H 1 22 ALA MB 2.500 . 3.300 2.233 2.221 2.248 . 0 0 "[ . 1 . 2]" 1
61 1 61 ALA MB 1 62 VAL H 2.500 . 3.300 2.450 2.283 2.544 . 0 0 "[ . 1 . 2]" 1
62 1 4 MET H 1 4 MET QG 3.000 . 3.900 2.350 1.884 2.777 0.016 11 0 "[ . 1 . 2]" 1
63 1 49 ILE H 1 49 ILE HG13 2.500 . 3.300 2.796 2.637 3.047 . 0 0 "[ . 1 . 2]" 1
64 1 68 TYR H 1 68 TYR HB2 2.900 . 4.000 2.683 2.481 2.869 . 0 0 "[ . 1 . 2]" 1
65 1 49 ILE H 1 49 ILE MG 2.500 . 3.300 2.770 2.642 2.894 . 0 0 "[ . 1 . 2]" 1
66 1 61 ALA H 1 61 ALA HA 2.600 . 3.400 2.786 2.774 2.814 . 0 0 "[ . 1 . 2]" 1
67 1 53 VAL H 1 53 VAL QG 2.700 . 3.600 2.678 2.531 2.810 . 0 0 "[ . 1 . 2]" 1
68 1 35 GLN H 1 48 THR HB 2.500 . 3.300 2.456 2.062 3.083 . 0 0 "[ . 1 . 2]" 1
69 1 58 ASP H 1 59 ILE H 2.500 . 3.300 2.746 2.642 2.822 . 0 0 "[ . 1 . 2]" 1
70 1 30 LEU H 1 30 LEU QD 2.600 . 3.500 2.717 2.282 2.925 . 0 0 "[ . 1 . 2]" 1
71 1 66 GLN H 1 67 GLY H 2.500 . 3.300 2.506 2.416 2.667 . 0 0 "[ . 1 . 2]" 1
72 1 20 VAL H 1 38 VAL QG 2.900 . 6.000 4.365 3.940 4.699 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLN H 1 10 GLN QB 2.600 . 3.800 2.663 2.397 3.004 . 0 0 "[ . 1 . 2]" 1
74 1 42 GLU H 1 43 GLY H 2.500 . 3.300 2.283 1.919 2.536 . 0 0 "[ . 1 . 2]" 1
75 1 33 VAL QG 1 35 GLN H 2.800 . 3.800 3.129 2.757 3.416 . 0 0 "[ . 1 . 2]" 1
76 1 57 LYS QB 1 58 ASP H 2.600 . 3.400 2.656 2.523 2.862 . 0 0 "[ . 1 . 2]" 1
77 1 53 VAL H 1 53 VAL HB 2.600 . 3.400 2.653 2.571 2.737 . 0 0 "[ . 1 . 2]" 1
78 1 62 VAL H 1 62 VAL HA 2.600 . 3.400 2.837 2.800 2.876 . 0 0 "[ . 1 . 2]" 1
79 1 59 ILE H 1 59 ILE HG12 2.500 . 3.300 2.349 1.876 3.427 0.127 9 0 "[ . 1 . 2]" 1
80 1 56 LEU H 1 56 LEU HB2 2.600 . 3.400 2.742 2.168 3.622 0.222 3 0 "[ . 1 . 2]" 1
81 1 6 GLN H 1 6 GLN HB2 2.500 . 3.300 2.425 2.171 2.947 . 0 0 "[ . 1 . 2]" 1
82 1 44 THR HB 1 45 VAL H 2.500 . 3.300 2.514 2.019 2.839 . 0 0 "[ . 1 . 2]" 1
83 1 33 VAL QG 1 34 GLU H 3.000 . 3.800 2.664 2.434 2.851 . 0 0 "[ . 1 . 2]" 1
84 1 67 GLY H 1 68 TYR H 2.500 . 3.300 2.163 2.017 2.358 . 0 0 "[ . 1 . 2]" 1
85 1 20 VAL H 1 20 VAL HB 2.600 . 3.400 2.529 2.354 2.670 . 0 0 "[ . 1 . 2]" 1
86 1 11 VAL HA 1 12 GLU H 2.600 . 3.400 2.159 2.106 2.219 . 0 0 "[ . 1 . 2]" 1
87 1 59 ILE H 1 60 VAL H 2.500 . 3.300 2.788 2.632 2.903 . 0 0 "[ . 1 . 2]" 1
88 1 29 GLU H 1 30 LEU H 2.600 . 3.400 2.548 2.481 2.620 . 0 0 "[ . 1 . 2]" 1
89 1 42 GLU H 1 42 GLU HB3 2.900 . 3.900 3.532 2.635 3.730 . 0 0 "[ . 1 . 2]" 1
90 1 7 LEU H 1 7 LEU QB 2.500 . 3.300 2.518 2.183 2.634 . 0 0 "[ . 1 . 2]" 1
91 1 64 GLU H 1 64 GLU HG3 3.000 . 4.100 2.304 2.124 2.592 . 0 0 "[ . 1 . 2]" 1
92 1 31 ASN H 1 31 ASN HA 2.600 . 3.500 2.861 2.802 2.930 . 0 0 "[ . 1 . 2]" 1
93 1 61 ALA H 1 62 VAL H 2.600 . 3.400 2.802 2.738 2.858 . 0 0 "[ . 1 . 2]" 1
94 1 25 SER H 1 25 SER QB 2.700 . 3.600 2.631 2.454 2.779 . 0 0 "[ . 1 . 2]" 1
95 1 50 ASP H 1 50 ASP HB3 2.600 . 3.500 2.650 2.498 3.585 0.085 10 0 "[ . 1 . 2]" 1
96 1 27 VAL H 1 28 LYS H 2.600 . 3.400 2.450 2.391 2.531 . 0 0 "[ . 1 . 2]" 1
97 1 70 VAL QG 1 71 GLN H 2.800 . 3.800 3.093 2.552 3.535 . 0 0 "[ . 1 . 2]" 1
98 1 23 ILE HB 1 24 GLU H 2.800 . 3.800 3.442 3.334 3.506 . 0 0 "[ . 1 . 2]" 1
99 1 40 LEU H 1 40 LEU HB2 2.600 . 3.400 2.307 2.141 2.507 . 0 0 "[ . 1 . 2]" 1
100 1 41 ALA MB 1 42 GLU H 2.700 . 3.600 2.691 2.220 3.091 . 0 0 "[ . 1 . 2]" 1
101 1 34 GLU H 1 34 GLU HB3 2.600 . 3.400 2.621 2.187 3.629 0.229 4 0 "[ . 1 . 2]" 1
102 1 42 GLU H 1 42 GLU HB2 2.600 . 3.400 2.484 2.323 2.859 . 0 0 "[ . 1 . 2]" 1
103 1 58 ASP HB2 1 59 ILE H 2.600 . 3.400 2.479 2.258 2.724 . 0 0 "[ . 1 . 2]" 1
104 1 38 VAL H 1 38 VAL HB 2.600 . 3.500 2.784 2.522 2.985 . 0 0 "[ . 1 . 2]" 1
105 1 69 ASP H 1 69 ASP HB3 2.900 . 3.900 3.208 2.476 3.717 . 0 0 "[ . 1 . 2]" 1
106 1 46 GLU H 1 46 GLU HA 2.600 . 3.500 2.926 2.902 2.945 . 0 0 "[ . 1 . 2]" 1
107 1 59 ILE H 1 59 ILE HG13 2.900 . 3.900 3.050 1.889 3.565 0.011 7 0 "[ . 1 . 2]" 1
108 1 43 GLY H 1 44 THR H 2.600 . 3.500 2.375 2.229 2.498 . 0 0 "[ . 1 . 2]" 1
109 1 20 VAL HB 1 21 ASN H 2.700 . 3.600 2.357 2.099 3.684 0.084 19 0 "[ . 1 . 2]" 1
110 1 40 LEU H 1 40 LEU HB3 2.800 . 3.700 2.706 2.510 2.951 . 0 0 "[ . 1 . 2]" 1
111 1 59 ILE H 1 59 ILE HA 2.700 . 3.600 2.796 2.772 2.830 . 0 0 "[ . 1 . 2]" 1
112 1 24 GLU H 1 24 GLU HB2 2.600 . 3.400 2.598 2.467 3.629 0.229 1 0 "[ . 1 . 2]" 1
113 1 53 VAL HB 1 54 VAL H 2.500 . 3.300 2.133 1.948 2.412 . 0 0 "[ . 1 . 2]" 1
114 1 34 GLU H 1 34 GLU HB2 2.700 . 3.600 2.706 2.332 2.971 . 0 0 "[ . 1 . 2]" 1
115 1 10 GLN H 1 10 GLN QG 2.700 . 3.600 2.156 1.869 2.505 . 0 0 "[ . 1 . 2]" 1
116 1 60 VAL H 1 61 ALA H 2.700 . 3.600 2.778 2.675 2.860 . 0 0 "[ . 1 . 2]" 1
117 1 14 MET H 1 14 MET QG 2.700 . 3.600 2.600 2.160 3.146 . 0 0 "[ . 1 . 2]" 1
118 1 6 GLN H 1 6 GLN HA 2.700 . 3.600 2.936 2.910 2.951 . 0 0 "[ . 1 . 2]" 1
119 1 70 VAL H 1 70 VAL HB 2.800 . 3.800 3.350 2.637 3.854 0.054 5 0 "[ . 1 . 2]" 1
120 1 64 GLU H 1 65 ASP H 2.700 . 3.600 2.563 2.492 2.716 . 0 0 "[ . 1 . 2]" 1
121 1 32 GLY H 1 32 GLY HA3 2.900 . 3.900 2.943 2.823 2.960 . 0 0 "[ . 1 . 2]" 1
122 1 52 SER H 1 52 SER HA 2.800 . 3.700 2.908 2.877 2.927 . 0 0 "[ . 1 . 2]" 1
123 1 25 SER H 1 25 SER HA 2.700 . 3.600 2.847 2.841 2.854 . 0 0 "[ . 1 . 2]" 1
124 1 53 VAL H 1 53 VAL HA 2.700 . 3.600 2.946 2.942 2.950 . 0 0 "[ . 1 . 2]" 1
125 1 30 LEU H 1 30 LEU HA 2.700 . 3.600 2.844 2.780 2.885 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU H 1 45 VAL H 2.700 . 3.600 2.966 2.813 3.172 . 0 0 "[ . 1 . 2]" 1
127 1 33 VAL H 1 33 VAL QG 2.800 . 3.700 2.525 2.328 2.761 . 0 0 "[ . 1 . 2]" 1
128 1 34 GLU HB3 1 35 GLN H 2.600 . 3.400 2.404 1.899 3.133 . 0 0 "[ . 1 . 2]" 1
129 1 48 THR H 1 48 THR HA 2.700 . 3.600 2.942 2.926 2.954 . 0 0 "[ . 1 . 2]" 1
130 1 39 GLN HA 1 40 LEU H 2.700 . 3.600 2.165 2.118 2.216 . 0 0 "[ . 1 . 2]" 1
131 1 27 VAL HB 1 28 LYS H 2.700 . 3.600 2.564 2.332 3.897 0.297 9 0 "[ . 1 . 2]" 1
132 1 58 ASP H 1 58 ASP HA 2.800 . 3.800 2.796 2.775 2.818 . 0 0 "[ . 1 . 2]" 1
133 1 39 GLN H 1 39 GLN HB2 2.600 . 3.400 2.534 2.158 2.616 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLU H 1 12 GLU HB3 2.900 . 4.000 3.486 2.439 3.761 . 0 0 "[ . 1 . 2]" 1
135 1 45 VAL H 1 45 VAL HB 2.700 . 3.600 2.800 2.600 3.557 . 0 0 "[ . 1 . 2]" 1
136 1 67 GLY H 1 67 GLY HA3 2.900 . 4.000 2.941 2.917 2.955 . 0 0 "[ . 1 . 2]" 1
137 1 30 LEU H 1 30 LEU HB3 3.300 . 4.700 3.585 3.391 3.651 . 0 0 "[ . 1 . 2]" 1
138 1 26 SER H 1 26 SER HA 2.800 . 3.800 2.777 2.769 2.805 . 0 0 "[ . 1 . 2]" 1
139 1 42 GLU HB3 1 44 THR H 2.800 . 3.800 3.700 2.911 4.538 0.738 5 1 "[ + 1 . 2]" 1
140 1 48 THR MG 1 49 ILE H 2.900 . 3.900 3.079 2.814 3.266 . 0 0 "[ . 1 . 2]" 1
141 1 34 GLU H 1 49 ILE HA 2.700 . 3.600 2.546 2.256 3.193 . 0 0 "[ . 1 . 2]" 1
142 1 63 ILE H 1 64 GLU H 2.700 . 3.600 2.779 2.641 2.887 . 0 0 "[ . 1 . 2]" 1
143 1 48 THR H 1 48 THR HB 2.700 . 3.600 2.694 2.614 2.799 . 0 0 "[ . 1 . 2]" 1
144 1 68 TYR HB3 1 69 ASP H 3.300 . 4.700 2.666 2.260 2.980 . 0 0 "[ . 1 . 2]" 1
145 1 9 LEU H 1 9 LEU HB2 2.800 . 3.800 2.937 2.223 3.713 . 0 0 "[ . 1 . 2]" 1
146 1 28 LYS H 1 29 GLU H 2.800 . 3.800 2.754 2.607 2.851 . 0 0 "[ . 1 . 2]" 1
147 1 25 SER QB 1 28 LYS H 3.200 . 6.000 4.466 4.274 4.628 . 0 0 "[ . 1 . 2]" 1
148 1 4 MET H 1 4 MET HB3 3.100 . 4.300 3.418 2.808 3.656 . 0 0 "[ . 1 . 2]" 1
149 1 47 VAL H 1 47 VAL MG2 2.800 . 3.800 2.613 2.351 2.842 . 0 0 "[ . 1 . 2]" 1
150 1 70 VAL H 1 70 VAL QG 2.800 . 3.800 2.382 1.989 2.868 . 0 0 "[ . 1 . 2]" 1
151 1 34 GLU H 1 34 GLU HA 2.800 . 3.800 2.899 2.867 2.938 . 0 0 "[ . 1 . 2]" 1
152 1 13 GLY H 1 14 MET H 2.800 . 3.800 2.353 1.827 3.861 0.061 9 0 "[ . 1 . 2]" 1
153 1 60 VAL H 1 60 VAL HA 2.800 . 3.800 2.792 2.767 2.817 . 0 0 "[ . 1 . 2]" 1
154 1 24 GLU H 1 24 GLU HB3 2.800 . 3.800 2.506 2.420 2.586 . 0 0 "[ . 1 . 2]" 1
155 1 65 ASP H 1 65 ASP HB3 2.900 . 3.900 2.498 2.391 2.575 . 0 0 "[ . 1 . 2]" 1
156 1 26 SER H 1 26 SER HB3 2.800 . 3.800 3.360 2.582 3.615 . 0 0 "[ . 1 . 2]" 1
157 1 55 THR HB 1 57 LYS H 2.800 . 3.800 2.762 2.456 3.011 . 0 0 "[ . 1 . 2]" 1
158 1 62 VAL H 1 63 ILE H 2.800 . 3.800 2.629 2.480 2.759 . 0 0 "[ . 1 . 2]" 1
159 1 44 THR H 1 44 THR HA 2.800 . 3.800 2.933 2.919 2.944 . 0 0 "[ . 1 . 2]" 1
160 1 44 THR H 1 44 THR MG 2.900 . 3.900 3.171 2.959 3.458 . 0 0 "[ . 1 . 2]" 1
161 1 21 ASN H 1 22 ALA H 2.800 . 3.800 2.629 2.477 2.875 . 0 0 "[ . 1 . 2]" 1
162 1 11 VAL H 1 11 VAL QG 2.900 . 3.900 2.369 2.034 2.549 . 0 0 "[ . 1 . 2]" 1
163 1 65 ASP H 1 66 GLN H 2.800 . 3.800 2.592 2.529 2.681 . 0 0 "[ . 1 . 2]" 1
164 1 22 ALA H 1 23 ILE H 2.800 . 3.800 2.895 2.762 3.033 . 0 0 "[ . 1 . 2]" 1
165 1 49 ILE H 1 49 ILE HG12 2.800 . 3.800 2.325 2.200 2.560 . 0 0 "[ . 1 . 2]" 1
166 1 21 ASN H 1 21 ASN HA 2.900 . 3.900 2.819 2.749 2.860 . 0 0 "[ . 1 . 2]" 1
167 1 42 GLU H 1 42 GLU HA 2.900 . 3.900 2.900 2.848 2.949 . 0 0 "[ . 1 . 2]" 1
168 1 63 ILE H 1 63 ILE HG13 2.700 . 3.600 2.330 2.007 3.890 0.290 18 0 "[ . 1 . 2]" 1
169 1 11 VAL H 1 11 VAL HB 2.800 . 3.800 2.796 2.587 3.440 . 0 0 "[ . 1 . 2]" 1
170 1 62 VAL HB 1 63 ILE H 2.800 . 3.800 2.761 2.442 3.910 0.110 11 0 "[ . 1 . 2]" 1
171 1 65 ASP H 1 65 ASP HA 2.900 . 4.000 2.820 2.804 2.841 . 0 0 "[ . 1 . 2]" 1
172 1 38 VAL H 1 38 VAL QG 2.900 . 4.000 1.973 1.801 2.231 . 0 0 "[ . 1 . 2]" 1
173 1 47 VAL MG1 1 48 THR H 2.900 . 3.900 2.512 2.346 2.734 . 0 0 "[ . 1 . 2]" 1
174 1 24 GLU H 1 25 SER H 2.900 . 3.900 2.888 2.726 3.032 . 0 0 "[ . 1 . 2]" 1
175 1 9 LEU HB3 1 10 GLN H 3.200 . 4.500 3.372 2.325 3.914 . 0 0 "[ . 1 . 2]" 1
176 1 69 ASP H 1 69 ASP HB2 2.900 . 3.900 2.727 2.450 3.272 . 0 0 "[ . 1 . 2]" 1
177 1 13 GLY H 1 13 GLY HA2 2.800 . 3.800 2.503 2.335 2.679 . 0 0 "[ . 1 . 2]" 1
178 1 68 TYR HB2 1 69 ASP H 2.800 . 3.800 3.751 3.433 3.890 0.090 17 0 "[ . 1 . 2]" 1
179 1 56 LEU H 1 57 LYS H 2.800 . 3.800 2.557 2.408 2.704 . 0 0 "[ . 1 . 2]" 1
180 1 26 SER H 1 27 VAL H 2.900 . 3.900 2.748 2.660 2.829 . 0 0 "[ . 1 . 2]" 1
181 1 63 ILE H 1 63 ILE HA 2.900 . 4.000 2.809 2.771 2.847 . 0 0 "[ . 1 . 2]" 1
182 1 50 ASP H 1 50 ASP HA 2.900 . 3.900 2.918 2.869 2.943 . 0 0 "[ . 1 . 2]" 1
183 1 33 VAL H 1 33 VAL HA 2.900 . 3.900 2.910 2.874 2.934 . 0 0 "[ . 1 . 2]" 1
184 1 66 GLN H 1 66 GLN HA 2.900 . 4.000 2.875 2.845 2.897 . 0 0 "[ . 1 . 2]" 1
185 1 54 VAL H 1 54 VAL HA 2.800 . 3.800 2.936 2.923 2.946 . 0 0 "[ . 1 . 2]" 1
186 1 39 GLN HB2 1 44 THR H 2.800 . 3.800 2.735 2.261 3.325 . 0 0 "[ . 1 . 2]" 1
187 1 24 GLU HB3 1 25 SER H 3.600 . 5.200 2.458 2.192 3.848 . 0 0 "[ . 1 . 2]" 1
188 1 5 GLU H 1 5 GLU HA 2.900 . 4.000 2.941 2.917 2.952 . 0 0 "[ . 1 . 2]" 1
189 1 6 GLN H 1 7 LEU H 3.200 . 4.400 4.239 3.954 4.420 0.020 19 0 "[ . 1 . 2]" 1
190 1 4 MET H 1 4 MET HA 2.900 . 4.000 2.901 2.867 2.937 . 0 0 "[ . 1 . 2]" 1
191 1 35 GLN HB2 1 36 VAL H 3.200 . 4.500 3.143 2.411 3.694 . 0 0 "[ . 1 . 2]" 1
192 1 46 GLU QG 1 47 VAL H 3.400 . 4.800 3.780 2.783 4.385 . 0 0 "[ . 1 . 2]" 1
193 1 57 LYS QG 1 58 ASP H 3.400 . 4.900 4.518 4.353 4.655 . 0 0 "[ . 1 . 2]" 1
194 1 12 GLU H 1 12 GLU HA 3.000 . 4.100 2.926 2.898 2.947 . 0 0 "[ . 1 . 2]" 1
195 1 12 GLU H 1 12 GLU HB2 2.900 . 4.000 2.518 2.326 2.852 . 0 0 "[ . 1 . 2]" 1
196 1 52 SER H 1 52 SER HB3 3.100 . 4.300 3.322 2.517 3.672 . 0 0 "[ . 1 . 2]" 1
197 1 24 GLU HB2 1 25 SER H 2.800 . 3.800 3.796 3.667 3.848 0.048 16 0 "[ . 1 . 2]" 1
198 1 25 SER H 1 26 SER H 3.000 . 4.100 2.570 2.540 2.660 . 0 0 "[ . 1 . 2]" 1
199 1 54 VAL H 1 54 VAL HB 2.900 . 4.000 2.841 2.771 2.971 . 0 0 "[ . 1 . 2]" 1
200 1 31 ASN H 1 31 ASN HB3 3.000 . 4.100 2.577 2.414 3.460 . 0 0 "[ . 1 . 2]" 1
201 1 9 LEU HB2 1 10 GLN H 3.100 . 4.300 3.583 2.814 4.296 . 0 0 "[ . 1 . 2]" 1
202 1 8 THR H 1 8 THR HB 3.000 . 4.100 2.662 2.508 2.903 . 0 0 "[ . 1 . 2]" 1
203 1 32 GLY HA3 1 33 VAL H 3.000 . 4.100 3.265 3.001 3.436 . 0 0 "[ . 1 . 2]" 1
204 1 45 VAL H 1 45 VAL HA 3.000 . 4.100 2.943 2.925 2.950 . 0 0 "[ . 1 . 2]" 1
205 1 68 TYR H 1 68 TYR HB3 2.900 . 3.900 3.790 3.656 3.892 . 0 0 "[ . 1 . 2]" 1
206 1 5 GLU H 1 49 ILE HG12 3.000 . 4.100 3.803 3.153 4.095 . 0 0 "[ . 1 . 2]" 1
207 1 30 LEU H 1 33 VAL HB 3.100 . 4.300 4.151 3.868 4.337 0.037 16 0 "[ . 1 . 2]" 1
208 1 30 LEU HB3 1 31 ASN H 3.000 . 4.100 3.021 2.177 3.464 . 0 0 "[ . 1 . 2]" 1
209 1 23 ILE H 1 23 ILE HA 3.000 . 4.100 2.841 2.820 2.878 . 0 0 "[ . 1 . 2]" 1
210 1 28 LYS QB 1 29 GLU H 2.900 . 4.000 2.737 2.583 2.878 . 0 0 "[ . 1 . 2]" 1
211 1 43 GLY QA 1 44 THR H 3.200 . 4.300 2.771 2.635 2.841 . 0 0 "[ . 1 . 2]" 1
212 1 69 ASP HB3 1 70 VAL H 3.300 . 4.700 3.969 3.308 4.417 . 0 0 "[ . 1 . 2]" 1
213 1 50 ASP HA 1 52 SER H 3.100 . 4.300 3.420 3.308 3.588 . 0 0 "[ . 1 . 2]" 1
214 1 5 GLU H 1 49 ILE HG13 3.400 . 4.800 2.908 2.476 3.221 . 0 0 "[ . 1 . 2]" 1
215 1 20 VAL H 1 21 ASN H 3.100 . 4.300 2.848 2.599 3.075 . 0 0 "[ . 1 . 2]" 1
216 1 64 GLU HB2 1 65 ASP H 3.000 . 4.100 2.869 2.597 3.022 . 0 0 "[ . 1 . 2]" 1
217 1 11 VAL QG 1 12 GLU H 3.300 . 4.600 3.037 2.608 3.250 . 0 0 "[ . 1 . 2]" 1
218 1 67 GLY HA2 1 68 TYR H 3.100 . 4.300 2.925 2.757 3.258 . 0 0 "[ . 1 . 2]" 1
219 1 29 GLU HA 1 30 LEU H 3.200 . 4.400 3.415 3.348 3.462 . 0 0 "[ . 1 . 2]" 1
220 1 5 GLU H 1 5 GLU HG2 3.100 . 4.300 3.221 2.542 4.376 0.076 11 0 "[ . 1 . 2]" 1
221 1 3 ALA MB 1 4 MET H 3.400 . 4.900 3.411 3.207 3.612 . 0 0 "[ . 1 . 2]" 1
222 1 28 LYS H 1 28 LYS HG2 3.600 . 5.200 4.432 3.666 4.607 . 0 0 "[ . 1 . 2]" 1
223 1 34 GLU H 1 48 THR HB 3.200 . 4.500 3.896 3.041 4.285 . 0 0 "[ . 1 . 2]" 1
224 1 30 LEU QD 1 31 ASN H 3.400 . 4.900 3.290 2.576 3.737 . 0 0 "[ . 1 . 2]" 1
225 1 64 GLU H 1 66 GLN HB2 3.200 . 4.500 4.545 4.490 4.675 0.175 10 0 "[ . 1 . 2]" 1
226 1 60 VAL MG2 1 61 ALA H 3.300 . 4.600 3.844 3.685 4.088 . 0 0 "[ . 1 . 2]" 1
227 1 55 THR H 1 58 ASP HB3 3.600 . 5.200 4.173 3.762 4.528 . 0 0 "[ . 1 . 2]" 1
228 1 58 ASP HA 1 61 ALA H 3.200 . 4.500 3.670 3.362 3.971 . 0 0 "[ . 1 . 2]" 1
229 1 34 GLU H 1 34 GLU QG 3.500 . 5.000 3.644 2.317 4.049 . 0 0 "[ . 1 . 2]" 1
230 1 56 LEU H 1 56 LEU QD 3.200 . 4.500 2.597 1.819 3.553 0.081 11 0 "[ . 1 . 2]" 1
231 1 32 GLY H 1 53 VAL QG 3.300 . 4.600 3.831 3.156 4.343 . 0 0 "[ . 1 . 2]" 1
232 1 11 VAL H 1 44 THR HA 3.100 . 4.300 2.667 2.322 2.981 . 0 0 "[ . 1 . 2]" 1
233 1 65 ASP HB2 1 66 GLN H 3.600 . 5.200 4.091 3.959 4.173 . 0 0 "[ . 1 . 2]" 1
234 1 42 GLU HB2 1 43 GLY H 3.200 . 4.500 3.066 2.788 3.990 . 0 0 "[ . 1 . 2]" 1
235 1 42 GLU H 1 43 GLY QA 3.800 . 5.600 4.224 3.924 4.441 . 0 0 "[ . 1 . 2]" 1
236 1 21 ASN H 1 38 VAL QG 2.900 . 6.000 4.469 4.134 4.816 . 0 0 "[ . 1 . 2]" 1
237 1 55 THR H 1 55 THR HB 3.300 . 4.600 3.719 3.662 3.759 . 0 0 "[ . 1 . 2]" 1
238 1 36 VAL H 1 36 VAL QG 3.200 . 4.500 2.435 2.128 2.829 . 0 0 "[ . 1 . 2]" 1
239 1 58 ASP HB3 1 59 ILE H 3.400 . 4.900 3.387 3.162 3.682 . 0 0 "[ . 1 . 2]" 1
240 1 57 LYS H 1 57 LYS QG 3.800 . 5.600 3.708 3.423 3.915 . 0 0 "[ . 1 . 2]" 1
241 1 21 ASN QB 1 22 ALA H 3.200 . 4.500 2.669 2.407 3.569 . 0 0 "[ . 1 . 2]" 1
242 1 32 GLY HA2 1 33 VAL H 3.300 . 4.700 3.257 3.093 3.440 . 0 0 "[ . 1 . 2]" 1
243 1 29 GLU H 1 29 GLU HG3 3.100 . 4.300 2.962 2.273 3.922 . 0 0 "[ . 1 . 2]" 1
244 1 5 GLU H 1 49 ILE HB 3.400 . 6.000 4.978 4.766 5.178 . 0 0 "[ . 1 . 2]" 1
245 1 51 SER HA 1 54 VAL H 3.200 . 4.500 3.645 3.332 3.951 . 0 0 "[ . 1 . 2]" 1
246 1 25 SER QB 1 29 GLU H 3.500 . 5.000 3.707 3.646 3.876 . 0 0 "[ . 1 . 2]" 1
247 1 65 ASP HB3 1 66 GLN H 3.200 . 4.400 2.991 2.798 3.126 . 0 0 "[ . 1 . 2]" 1
248 1 42 GLU HA 1 43 GLY H 3.300 . 4.600 3.478 3.419 3.508 . 0 0 "[ . 1 . 2]" 1
249 1 63 ILE MG 1 68 TYR H 3.400 . 4.900 4.002 3.730 4.254 . 0 0 "[ . 1 . 2]" 1
250 1 62 VAL H 1 63 ILE HB 3.700 . 5.400 4.777 4.488 4.991 . 0 0 "[ . 1 . 2]" 1
251 1 25 SER QB 1 30 LEU H 3.500 . 6.000 5.932 5.862 5.993 . 0 0 "[ . 1 . 2]" 1
252 1 35 GLN H 1 48 THR H 3.200 . 4.500 3.000 2.709 3.308 . 0 0 "[ . 1 . 2]" 1
253 1 54 VAL HB 1 55 THR H 3.800 . 5.600 4.106 4.007 4.205 . 0 0 "[ . 1 . 2]" 1
254 1 60 VAL HA 1 61 ALA H 3.300 . 4.600 3.550 3.537 3.567 . 0 0 "[ . 1 . 2]" 1
255 1 32 GLY HA2 1 54 VAL H 3.800 . 5.600 4.352 3.974 4.680 . 0 0 "[ . 1 . 2]" 1
256 1 7 LEU H 1 7 LEU QD 3.400 . 4.900 2.855 2.154 3.737 . 0 0 "[ . 1 . 2]" 1
257 1 19 CYS H 1 19 CYS QB 3.300 . 4.600 2.515 2.225 2.623 . 0 0 "[ . 1 . 2]" 1
258 1 61 ALA HA 1 62 VAL H 3.400 . 4.800 3.558 3.545 3.568 . 0 0 "[ . 1 . 2]" 1
259 1 36 VAL HA 1 38 VAL H 3.600 . 6.000 5.289 5.045 5.671 . 0 0 "[ . 1 . 2]" 1
260 1 33 VAL HA 1 35 GLN H 3.900 . 5.800 4.378 3.941 4.656 . 0 0 "[ . 1 . 2]" 1
261 1 61 ALA HA 1 64 GLU H 3.300 . 4.600 3.816 3.439 4.258 . 0 0 "[ . 1 . 2]" 1
262 1 11 VAL QG 1 69 ASP H 3.400 . 4.900 3.871 3.311 4.734 . 0 0 "[ . 1 . 2]" 1
263 1 58 ASP H 1 60 VAL H 3.300 . 4.700 4.296 4.130 4.455 . 0 0 "[ . 1 . 2]" 1
264 1 27 VAL HA 1 30 LEU H 3.300 . 4.700 3.852 3.677 4.029 . 0 0 "[ . 1 . 2]" 1
265 1 10 GLN QG 1 11 VAL H 3.600 . 5.200 4.146 3.863 4.802 . 0 0 "[ . 1 . 2]" 1
266 1 35 GLN HB2 1 48 THR H 3.300 . 4.700 3.079 2.350 3.857 . 0 0 "[ . 1 . 2]" 1
267 1 31 ASN HB2 1 32 GLY H 3.400 . 4.800 4.277 4.111 4.441 . 0 0 "[ . 1 . 2]" 1
268 1 30 LEU H 1 33 VAL QG 3.400 . 4.900 3.482 3.111 3.636 . 0 0 "[ . 1 . 2]" 1
269 1 8 THR MG 1 9 LEU H 3.400 . 4.800 3.116 2.742 3.245 . 0 0 "[ . 1 . 2]" 1
270 1 5 GLU H 1 48 THR MG 3.300 . 4.700 3.714 3.338 4.122 . 0 0 "[ . 1 . 2]" 1
271 1 35 GLN H 1 48 THR MG 3.700 . 5.400 3.882 3.589 4.305 . 0 0 "[ . 1 . 2]" 1
272 1 6 GLN HE21 1 6 GLN HG2 3.200 . 4.500 2.826 2.199 3.474 . 0 0 "[ . 1 . 2]" 1
273 1 55 THR MG 1 56 LEU H 3.700 . 5.400 3.738 3.547 3.893 . 0 0 "[ . 1 . 2]" 1
274 1 37 LYS H 1 37 LYS QG 3.400 . 4.800 2.852 2.055 4.184 . 0 0 "[ . 1 . 2]" 1
275 1 70 VAL HB 1 71 GLN H 3.400 . 4.900 3.437 2.296 4.390 . 0 0 "[ . 1 . 2]" 1
276 1 37 LYS QG 1 38 VAL H 3.900 . 5.800 4.277 3.481 4.513 . 0 0 "[ . 1 . 2]" 1
277 1 42 GLU HB3 1 43 GLY H 3.500 . 5.000 3.788 2.954 4.085 . 0 0 "[ . 1 . 2]" 1
278 1 12 GLU HB2 1 13 GLY H 3.800 . 5.600 4.282 3.912 4.469 . 0 0 "[ . 1 . 2]" 1
279 1 52 SER H 1 52 SER HB2 3.300 . 4.600 2.556 2.434 2.733 . 0 0 "[ . 1 . 2]" 1
280 1 16 CYS H 1 19 CYS H 3.300 . 4.700 3.622 3.087 4.736 0.036 16 0 "[ . 1 . 2]" 1
281 1 31 ASN HA 1 33 VAL H 3.400 . 4.800 3.374 3.168 3.550 . 0 0 "[ . 1 . 2]" 1
282 1 55 THR H 1 58 ASP H 3.400 . 4.900 3.757 3.517 4.149 . 0 0 "[ . 1 . 2]" 1
283 1 16 CYS H 1 19 CYS QB 3.500 . 5.000 3.167 2.242 4.798 . 0 0 "[ . 1 . 2]" 1
284 1 13 GLY HA2 1 14 MET H 3.300 . 4.700 3.053 2.502 3.485 . 0 0 "[ . 1 . 2]" 1
285 1 52 SER H 1 54 VAL H 3.800 . 5.600 4.274 4.024 4.458 . 0 0 "[ . 1 . 2]" 1
286 1 27 VAL HA 1 28 LYS H 3.400 . 4.900 3.551 3.516 3.574 . 0 0 "[ . 1 . 2]" 1
287 1 37 LYS QB 1 38 VAL H 3.700 . 5.400 3.672 3.371 3.992 . 0 0 "[ . 1 . 2]" 1
288 1 32 GLY HA2 1 50 ASP H 3.500 . 5.000 3.869 3.643 4.061 . 0 0 "[ . 1 . 2]" 1
289 1 12 GLU H 1 69 ASP H 3.300 . 4.700 3.159 2.823 3.614 . 0 0 "[ . 1 . 2]" 1
290 1 64 GLU HA 1 65 ASP H 3.400 . 4.800 3.479 3.450 3.528 . 0 0 "[ . 1 . 2]" 1
291 1 49 ILE H 1 49 ILE HB 3.500 . 5.000 3.781 3.742 3.820 . 0 0 "[ . 1 . 2]" 1
292 1 20 VAL HA 1 21 ASN H 3.400 . 4.900 3.564 3.519 3.580 . 0 0 "[ . 1 . 2]" 1
293 1 59 ILE HA 1 60 VAL H 3.400 . 4.900 3.558 3.534 3.574 . 0 0 "[ . 1 . 2]" 1
294 1 52 SER HA 1 53 VAL H 3.400 . 4.900 3.290 3.208 3.371 . 0 0 "[ . 1 . 2]" 1
295 1 62 VAL QG 1 63 ILE H 3.500 . 5.000 3.101 2.007 3.314 . 0 0 "[ . 1 . 2]" 1
296 1 54 VAL MG2 1 55 THR H 3.300 . 4.700 2.255 1.979 2.489 . 0 0 "[ . 1 . 2]" 1
297 1 64 GLU HA 1 67 GLY H 3.700 . 5.400 3.484 3.167 3.904 . 0 0 "[ . 1 . 2]" 1
298 1 66 GLN HA 1 67 GLY H 3.400 . 4.900 3.328 3.241 3.430 . 0 0 "[ . 1 . 2]" 1
299 1 62 VAL HA 1 65 ASP H 3.500 . 5.000 3.563 3.362 3.824 . 0 0 "[ . 1 . 2]" 1
300 1 65 ASP HA 1 67 GLY H 3.400 . 4.900 3.572 3.406 3.815 . 0 0 "[ . 1 . 2]" 1
301 1 11 VAL H 1 44 THR MG 3.800 . 5.600 3.205 2.905 3.491 . 0 0 "[ . 1 . 2]" 1
302 1 39 GLN H 1 44 THR H 3.600 . 5.200 3.541 3.207 3.810 . 0 0 "[ . 1 . 2]" 1
303 1 52 SER H 1 53 VAL QG 3.600 . 5.200 3.571 3.380 3.755 . 0 0 "[ . 1 . 2]" 1
304 1 66 GLN H 1 68 TYR H 3.900 . 5.800 3.690 3.390 3.934 . 0 0 "[ . 1 . 2]" 1
305 1 12 GLU HB3 1 69 ASP H 3.500 . 5.100 4.147 2.123 5.041 . 0 0 "[ . 1 . 2]" 1
306 1 36 VAL H 1 37 LYS QB 3.500 . 6.000 4.974 3.910 5.536 . 0 0 "[ . 1 . 2]" 1
307 1 58 ASP HA 1 59 ILE H 3.500 . 5.000 3.525 3.506 3.542 . 0 0 "[ . 1 . 2]" 1
308 1 6 GLN HB3 1 6 GLN HE21 3.500 . 5.000 3.280 1.758 4.482 0.242 13 0 "[ . 1 . 2]" 1
309 1 20 VAL MG1 1 21 ASN H 3.700 . 5.400 3.069 2.061 3.360 . 0 0 "[ . 1 . 2]" 1
310 1 67 GLY HA3 1 68 TYR H 3.800 . 5.600 3.493 3.306 3.556 . 0 0 "[ . 1 . 2]" 1
311 1 66 GLN HB3 1 66 GLN HE21 3.300 . 4.600 3.554 1.825 4.471 0.175 14 0 "[ . 1 . 2]" 1
312 1 23 ILE HA 1 26 SER H 3.500 . 5.000 3.157 3.015 3.363 . 0 0 "[ . 1 . 2]" 1
313 1 54 VAL H 1 54 VAL MG1 3.300 . 4.700 2.111 1.998 2.262 . 0 0 "[ . 1 . 2]" 1
314 1 56 LEU QD 1 57 LYS H 3.500 . 5.000 3.209 2.091 3.840 . 0 0 "[ . 1 . 2]" 1
315 1 33 VAL H 1 34 GLU H 3.900 . 5.800 4.385 4.226 4.520 . 0 0 "[ . 1 . 2]" 1
316 1 58 ASP H 1 58 ASP HB3 4.100 . 6.000 3.611 3.559 3.637 . 0 0 "[ . 1 . 2]" 1
317 1 33 VAL H 1 54 VAL MG1 3.500 . 5.100 3.713 3.321 4.241 . 0 0 "[ . 1 . 2]" 1
318 1 5 GLU HB2 1 51 SER H 3.500 . 5.000 3.698 3.209 4.296 . 0 0 "[ . 1 . 2]" 1
319 1 33 VAL HA 1 50 ASP H 3.600 . 5.200 3.309 2.999 3.610 . 0 0 "[ . 1 . 2]" 1
320 1 14 MET HA 1 16 CYS H 4.000 . 6.000 4.347 3.163 5.475 . 0 0 "[ . 1 . 2]" 1
321 1 4 MET H 1 5 GLU H 3.900 . 5.800 4.383 4.124 4.553 . 0 0 "[ . 1 . 2]" 1
322 1 32 GLY H 1 33 VAL HB 4.100 . 6.000 4.426 4.131 5.001 . 0 0 "[ . 1 . 2]" 1
323 1 9 LEU H 1 9 LEU QD 3.500 . 6.000 1.985 1.614 2.442 . 0 0 "[ . 1 . 2]" 1
324 1 11 VAL QG 1 14 MET H 3.700 . 5.400 3.759 3.093 4.589 . 0 0 "[ . 1 . 2]" 1
325 1 2 ASN HA 1 3 ALA H 3.500 . 5.100 2.728 2.145 3.591 . 0 0 "[ . 1 . 2]" 1
326 1 60 VAL HA 1 63 ILE H 3.600 . 5.200 3.562 3.269 3.844 . 0 0 "[ . 1 . 2]" 1
327 1 9 LEU H 1 9 LEU HB3 3.600 . 5.300 3.451 3.065 3.657 . 0 0 "[ . 1 . 2]" 1
328 1 25 SER HA 1 28 LYS H 3.700 . 5.400 2.820 2.629 3.058 . 0 0 "[ . 1 . 2]" 1
329 1 26 SER H 1 27 VAL QG 3.800 . 5.600 4.088 3.859 4.178 . 0 0 "[ . 1 . 2]" 1
330 1 6 GLN HG2 1 7 LEU H 4.000 . 6.000 4.507 3.218 5.525 . 0 0 "[ . 1 . 2]" 1
331 1 37 LYS H 1 47 VAL HA 3.700 . 5.400 3.273 2.810 3.569 . 0 0 "[ . 1 . 2]" 1
332 1 64 GLU H 1 66 GLN H 3.800 . 5.600 4.025 3.715 4.239 . 0 0 "[ . 1 . 2]" 1
333 1 26 SER HB2 1 27 VAL H 3.800 . 5.600 2.982 2.593 3.901 . 0 0 "[ . 1 . 2]" 1
334 1 55 THR MG 1 57 LYS H 4.000 . 6.000 4.278 4.056 4.525 . 0 0 "[ . 1 . 2]" 1
335 1 40 LEU MD2 1 43 GLY H 3.300 . 4.700 4.515 4.017 4.830 0.130 19 0 "[ . 1 . 2]" 1
336 1 51 SER H 1 51 SER HB2 4.100 . 6.000 3.093 2.283 3.594 . 0 0 "[ . 1 . 2]" 1
337 1 7 LEU QB 1 8 THR H 3.600 . 5.200 2.953 2.269 3.748 . 0 0 "[ . 1 . 2]" 1
338 1 32 GLY H 1 53 VAL HB 4.100 . 6.000 5.111 4.560 5.506 . 0 0 "[ . 1 . 2]" 1
339 1 67 GLY H 1 68 TYR HB2 4.600 . 6.000 4.451 4.176 4.695 . 0 0 "[ . 1 . 2]" 1
340 1 64 GLU HG3 1 70 VAL H 3.500 . 5.000 3.594 3.363 3.842 . 0 0 "[ . 1 . 2]" 1
341 1 38 VAL QG 1 39 GLN H 3.700 . 5.500 2.749 2.396 2.988 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE H 1 38 VAL QG 3.400 . 4.800 4.110 3.790 4.323 . 0 0 "[ . 1 . 2]" 1
343 1 19 CYS HA 1 20 VAL H 3.700 . 5.400 3.487 3.428 3.555 . 0 0 "[ . 1 . 2]" 1
344 1 50 ASP HB2 1 53 VAL H 4.400 . 6.000 4.889 3.470 5.224 . 0 0 "[ . 1 . 2]" 1
345 1 5 GLU H 1 51 SER H 3.700 . 5.400 3.478 3.126 3.750 . 0 0 "[ . 1 . 2]" 1
346 1 19 CYS H 1 20 VAL H 3.600 . 5.300 2.632 2.536 2.736 . 0 0 "[ . 1 . 2]" 1
347 1 23 ILE HA 1 24 GLU H 3.700 . 5.400 3.521 3.505 3.555 . 0 0 "[ . 1 . 2]" 1
348 1 30 LEU HB3 1 33 VAL H 3.800 . 5.600 4.877 4.060 5.464 . 0 0 "[ . 1 . 2]" 1
349 1 12 GLU H 1 69 ASP HB3 3.900 . 5.800 4.145 3.068 5.731 . 0 0 "[ . 1 . 2]" 1
350 1 36 VAL H 1 47 VAL HA 3.400 . 6.000 4.869 4.607 5.052 . 0 0 "[ . 1 . 2]" 1
351 1 64 GLU HB3 1 65 ASP H 3.900 . 5.800 3.871 3.645 3.987 . 0 0 "[ . 1 . 2]" 1
352 1 21 ASN HA 1 25 SER H 4.000 . 6.000 3.944 3.670 4.203 . 0 0 "[ . 1 . 2]" 1
353 1 6 GLN HB2 1 7 LEU H 4.200 . 6.000 4.004 3.246 4.198 . 0 0 "[ . 1 . 2]" 1
354 1 39 GLN HB2 1 43 GLY H 3.800 . 5.600 3.692 3.319 4.355 . 0 0 "[ . 1 . 2]" 1
355 1 63 ILE HA 1 66 GLN H 3.700 . 5.400 3.607 3.500 3.854 . 0 0 "[ . 1 . 2]" 1
356 1 5 GLU H 1 51 SER HB3 3.800 . 5.600 4.504 3.757 5.493 . 0 0 "[ . 1 . 2]" 1
357 1 48 THR H 1 48 THR MG 4.200 . 6.000 3.852 3.822 3.905 . 0 0 "[ . 1 . 2]" 1
358 1 10 GLN H 1 71 GLN H 3.800 . 5.600 3.781 2.488 5.620 0.020 4 0 "[ . 1 . 2]" 1
359 1 59 ILE HA 1 61 ALA H 3.900 . 5.800 4.588 4.445 4.778 . 0 0 "[ . 1 . 2]" 1
360 1 48 THR HB 1 49 ILE H 4.000 . 6.000 4.268 4.196 4.376 . 0 0 "[ . 1 . 2]" 1
361 1 7 LEU QB 1 47 VAL H 3.800 . 5.600 3.794 3.412 4.130 . 0 0 "[ . 1 . 2]" 1
362 1 32 GLY H 1 54 VAL H 4.400 . 6.000 5.986 5.693 6.070 0.070 4 0 "[ . 1 . 2]" 1
363 1 63 ILE HA 1 64 GLU H 3.800 . 5.600 3.567 3.536 3.586 . 0 0 "[ . 1 . 2]" 1
364 1 61 ALA MB 1 65 ASP H 4.000 . 6.000 4.809 4.458 5.085 . 0 0 "[ . 1 . 2]" 1
365 1 64 GLU H 1 65 ASP HB2 4.400 . 6.000 4.917 4.776 5.087 . 0 0 "[ . 1 . 2]" 1
366 1 63 ILE HA 1 65 ASP H 3.900 . 5.800 4.286 4.124 4.528 . 0 0 "[ . 1 . 2]" 1
367 1 69 ASP H 1 70 VAL H 3.900 . 5.800 4.199 4.087 4.321 . 0 0 "[ . 1 . 2]" 1
368 1 8 THR H 1 8 THR MG 4.300 . 6.000 3.857 3.795 3.952 . 0 0 "[ . 1 . 2]" 1
369 1 39 GLN HB2 1 40 LEU H 4.300 . 6.000 4.388 4.166 4.613 . 0 0 "[ . 1 . 2]" 1
370 1 3 ALA MB 1 52 SER H 3.900 . 5.800 3.231 2.469 4.209 . 0 0 "[ . 1 . 2]" 1
371 1 53 VAL H 1 54 VAL HA 4.100 . 6.000 4.699 4.533 4.801 . 0 0 "[ . 1 . 2]" 1
372 1 58 ASP HA 1 62 VAL H 3.900 . 5.800 4.130 3.841 4.463 . 0 0 "[ . 1 . 2]" 1
373 1 4 MET QG 1 5 GLU H 4.400 . 6.000 4.475 3.899 4.920 . 0 0 "[ . 1 . 2]" 1
374 1 24 GLU HA 1 25 SER H 3.900 . 5.800 3.575 3.553 3.588 . 0 0 "[ . 1 . 2]" 1
375 1 34 GLU H 1 48 THR MG 4.000 . 6.000 4.188 4.009 4.401 . 0 0 "[ . 1 . 2]" 1
376 1 60 VAL H 1 62 VAL H 4.000 . 6.000 4.381 4.253 4.498 . 0 0 "[ . 1 . 2]" 1
377 1 62 VAL H 1 63 ILE HG13 4.300 . 6.000 4.473 4.090 6.342 0.342 18 0 "[ . 1 . 2]" 1
378 1 26 SER HA 1 27 VAL H 3.900 . 5.800 3.522 3.492 3.553 . 0 0 "[ . 1 . 2]" 1
379 1 50 ASP HB3 1 51 SER H 4.200 . 6.000 4.308 3.868 4.400 . 0 0 "[ . 1 . 2]" 1
380 1 41 ALA MB 1 43 GLY H 4.400 . 6.000 4.467 4.165 4.732 . 0 0 "[ . 1 . 2]" 1
381 1 45 VAL HA 1 46 GLU H 3.700 . 5.400 2.142 2.118 2.175 . 0 0 "[ . 1 . 2]" 1
382 1 21 ASN H 1 23 ILE H 4.100 . 6.000 4.549 4.342 4.732 . 0 0 "[ . 1 . 2]" 1
383 1 12 GLU HB3 1 13 GLY H 4.200 . 6.000 3.527 2.854 4.400 . 0 0 "[ . 1 . 2]" 1
384 1 6 GLN HE21 1 48 THR MG 3.600 . 5.200 3.823 1.969 4.939 0.031 11 0 "[ . 1 . 2]" 1
385 1 50 ASP HB2 1 51 SER H 4.600 . 6.000 4.498 4.416 4.555 . 0 0 "[ . 1 . 2]" 1
386 1 23 ILE HA 1 27 VAL H 4.000 . 6.000 4.108 3.887 4.218 . 0 0 "[ . 1 . 2]" 1
387 1 53 VAL H 1 54 VAL HB 4.600 . 6.000 5.161 4.903 5.306 . 0 0 "[ . 1 . 2]" 1
388 1 12 GLU H 1 69 ASP HB2 4.000 . 6.000 4.299 3.103 5.456 . 0 0 "[ . 1 . 2]" 1
389 1 38 VAL QG 1 40 LEU H 3.900 . 5.800 3.450 3.010 4.060 . 0 0 "[ . 1 . 2]" 1
390 1 61 ALA HA 1 65 ASP H 3.900 . 5.800 4.217 3.898 4.496 . 0 0 "[ . 1 . 2]" 1
391 1 35 GLN H 1 36 VAL H 4.300 . 6.000 4.376 4.320 4.423 . 0 0 "[ . 1 . 2]" 1
392 1 30 LEU H 1 31 ASN H 4.500 . 6.000 4.585 4.495 4.635 . 0 0 "[ . 1 . 2]" 1
393 1 9 LEU H 1 46 GLU HA 4.100 . 6.000 3.537 3.138 3.900 . 0 0 "[ . 1 . 2]" 1
394 1 21 ASN H 1 22 ALA MB 4.500 . 6.000 4.294 4.180 4.484 . 0 0 "[ . 1 . 2]" 1
395 1 41 ALA MB 1 44 THR H 4.500 . 6.000 5.973 5.816 6.110 0.110 1 0 "[ . 1 . 2]" 1
396 1 10 GLN H 1 11 VAL H 4.400 . 6.000 4.528 4.393 4.613 . 0 0 "[ . 1 . 2]" 1
397 1 60 VAL HA 1 64 GLU H 4.100 . 6.000 3.868 3.237 4.116 . 0 0 "[ . 1 . 2]" 1
398 1 5 GLU HG2 1 51 SER H 4.000 . 6.000 4.006 2.608 6.080 0.080 15 0 "[ . 1 . 2]" 1
399 1 41 ALA H 1 42 GLU H 3.900 . 5.800 2.647 2.436 2.905 . 0 0 "[ . 1 . 2]" 1
400 1 52 SER HB3 1 53 VAL H 4.100 . 6.000 4.019 3.342 4.358 . 0 0 "[ . 1 . 2]" 1
401 1 41 ALA H 1 41 ALA MB 4.000 . 6.000 2.235 2.216 2.257 . 0 0 "[ . 1 . 2]" 1
402 1 46 GLU H 1 46 GLU QB 3.900 . 5.800 2.423 2.279 2.558 . 0 0 "[ . 1 . 2]" 1
403 1 68 TYR H 1 69 ASP H 4.400 . 6.000 4.452 4.327 4.565 . 0 0 "[ . 1 . 2]" 1
404 1 3 ALA H 1 3 ALA MB 4.100 . 6.000 2.643 2.316 2.896 . 0 0 "[ . 1 . 2]" 1
405 1 9 LEU H 1 44 THR HB 4.200 . 6.000 4.190 3.944 4.435 . 0 0 "[ . 1 . 2]" 1
406 1 36 VAL HA 1 37 LYS H 3.900 . 5.800 2.170 2.127 2.300 . 0 0 "[ . 1 . 2]" 1
407 1 29 GLU HG2 1 30 LEU H 3.800 . 5.600 4.861 4.464 5.224 . 0 0 "[ . 1 . 2]" 1
408 1 50 ASP HB2 1 52 SER H 4.500 . 6.000 4.619 4.164 4.818 . 0 0 "[ . 1 . 2]" 1
409 1 11 VAL H 1 43 GLY QA 4.100 . 6.000 3.718 3.372 3.908 . 0 0 "[ . 1 . 2]" 1
410 1 62 VAL H 1 64 GLU H 4.300 . 6.000 4.310 4.078 4.477 . 0 0 "[ . 1 . 2]" 1
411 1 6 GLN HB3 1 6 GLN HE22 4.500 . 6.000 4.173 3.408 5.176 . 0 0 "[ . 1 . 2]" 1
412 1 23 ILE HA 1 25 SER H 4.300 . 6.000 4.510 4.267 4.675 . 0 0 "[ . 1 . 2]" 1
413 1 61 ALA MB 1 63 ILE H 4.600 . 6.000 4.505 4.414 4.618 . 0 0 "[ . 1 . 2]" 1
414 1 24 GLU H 1 26 SER H 4.200 . 6.000 3.965 3.845 4.155 . 0 0 "[ . 1 . 2]" 1
415 1 56 LEU H 1 58 ASP H 4.400 . 6.000 4.242 4.112 4.420 . 0 0 "[ . 1 . 2]" 1
416 1 28 LYS HG2 1 29 GLU H 4.400 . 6.000 4.438 3.464 5.072 . 0 0 "[ . 1 . 2]" 1
417 1 28 LYS QE 1 36 VAL H 4.100 . 6.000 4.384 2.924 5.716 . 0 0 "[ . 1 . 2]" 1
418 1 62 VAL H 1 65 ASP H 4.300 . 6.000 4.746 4.592 4.916 . 0 0 "[ . 1 . 2]" 1
419 1 7 LEU QD 1 8 THR H 4.400 . 6.000 3.254 2.397 3.843 . 0 0 "[ . 1 . 2]" 1
420 1 62 VAL HA 1 63 ILE H 4.200 . 6.000 3.541 3.494 3.559 . 0 0 "[ . 1 . 2]" 1
421 1 27 VAL H 1 29 GLU H 4.300 . 6.000 4.106 4.010 4.170 . 0 0 "[ . 1 . 2]" 1
422 1 39 GLN H 1 45 VAL MG1 4.200 . 6.000 4.015 3.521 4.398 . 0 0 "[ . 1 . 2]" 1
423 1 20 VAL MG1 1 22 ALA H 4.500 . 6.000 4.838 4.203 5.034 . 0 0 "[ . 1 . 2]" 1
424 1 5 GLU H 1 6 GLN H 4.500 . 6.000 4.389 4.163 4.534 . 0 0 "[ . 1 . 2]" 1
425 1 64 GLU HB3 1 68 TYR H 4.500 . 6.000 4.197 3.953 4.798 . 0 0 "[ . 1 . 2]" 1
426 1 39 GLN HB3 1 40 LEU H 4.500 . 6.000 3.688 3.314 3.858 . 0 0 "[ . 1 . 2]" 1
427 1 52 SER HB2 1 53 VAL H 4.600 . 6.000 3.659 3.205 4.340 . 0 0 "[ . 1 . 2]" 1
428 1 66 GLN HA 1 68 TYR H 5.100 . 6.000 5.108 4.649 5.363 . 0 0 "[ . 1 . 2]" 1
429 1 20 VAL H 1 22 ALA H 4.300 . 6.000 3.994 3.674 4.335 . 0 0 "[ . 1 . 2]" 1
430 1 40 LEU H 1 40 LEU QD 4.700 . 6.000 3.636 3.466 3.763 . 0 0 "[ . 1 . 2]" 1
431 1 17 GLY H 1 40 LEU MD1 3.900 . 5.800 4.860 2.647 5.815 0.015 6 0 "[ . 1 . 2]" 1
432 1 49 ILE HB 1 54 VAL H 4.800 . 6.000 4.526 4.212 4.782 . 0 0 "[ . 1 . 2]" 1
433 1 7 LEU H 1 48 THR MG 4.900 . 6.000 5.010 4.655 5.386 . 0 0 "[ . 1 . 2]" 1
434 1 42 GLU HA 1 44 THR H 4.700 . 6.000 4.798 4.481 5.135 . 0 0 "[ . 1 . 2]" 1
435 1 62 VAL H 1 65 ASP HB2 4.100 . 6.000 5.296 4.885 5.644 . 0 0 "[ . 1 . 2]" 1
436 1 21 ASN HA 1 24 GLU H 4.500 . 6.000 3.635 3.289 3.983 . 0 0 "[ . 1 . 2]" 1
437 1 22 ALA H 1 23 ILE HA 4.800 . 6.000 5.425 5.336 5.499 . 0 0 "[ . 1 . 2]" 1
438 1 35 GLN H 1 47 VAL HA 4.800 . 6.000 4.757 4.470 5.120 . 0 0 "[ . 1 . 2]" 1
439 1 61 ALA HA 1 63 ILE H 4.500 . 6.000 4.581 4.278 4.930 . 0 0 "[ . 1 . 2]" 1
440 1 69 ASP H 1 70 VAL QG 4.100 . 6.000 3.573 3.366 3.706 . 0 0 "[ . 1 . 2]" 1
441 1 58 ASP HB3 1 61 ALA H 4.600 . 6.000 5.543 5.357 5.863 . 0 0 "[ . 1 . 2]" 1
442 1 67 GLY H 1 68 TYR HB3 5.000 . 6.000 5.776 5.535 5.928 . 0 0 "[ . 1 . 2]" 1
443 1 65 ASP H 1 67 GLY H 4.700 . 6.000 4.042 3.896 4.160 . 0 0 "[ . 1 . 2]" 1
444 1 53 VAL H 1 54 VAL MG1 5.100 . 6.000 3.910 3.813 4.032 . 0 0 "[ . 1 . 2]" 1
445 1 28 LYS HA 1 33 VAL H 5.200 . 6.000 5.253 4.883 5.516 . 0 0 "[ . 1 . 2]" 1
446 1 9 LEU H 1 9 LEU QD 4.400 . 6.000 2.175 1.642 2.829 0.358 9 0 "[ . 1 . 2]" 1
447 1 50 ASP HB3 1 52 SER H 4.400 . 6.000 3.839 3.074 4.144 . 0 0 "[ . 1 . 2]" 1
448 1 11 VAL H 1 12 GLU H 4.900 . 6.000 4.154 4.014 4.336 . 0 0 "[ . 1 . 2]" 1
449 1 8 THR HB 1 9 LEU H 4.900 . 6.000 4.313 4.165 4.406 . 0 0 "[ . 1 . 2]" 1
450 1 16 CYS HB3 1 17 GLY H 4.500 . 6.000 2.854 1.947 4.038 . 0 0 "[ . 1 . 2]" 1
451 1 10 GLN QB 1 11 VAL H 4.600 . 6.000 2.993 2.734 3.359 . 0 0 "[ . 1 . 2]" 1
452 1 37 LYS H 1 38 VAL H 4.600 . 6.000 3.984 3.625 4.218 . 0 0 "[ . 1 . 2]" 1
453 1 6 GLN HE22 1 48 THR MG 4.200 . 6.000 4.489 2.612 5.367 . 0 0 "[ . 1 . 2]" 1
454 1 11 VAL H 1 44 THR H 4.800 . 6.000 4.580 4.391 4.820 . 0 0 "[ . 1 . 2]" 1
455 1 8 THR MG 1 47 VAL H 5.000 . 6.000 4.894 4.471 5.218 . 0 0 "[ . 1 . 2]" 1
456 1 66 GLN HB2 1 67 GLY H 4.300 . 6.000 3.418 3.096 3.960 . 0 0 "[ . 1 . 2]" 1
457 1 12 GLU H 1 70 VAL QG 4.600 . 6.000 3.172 2.776 3.719 . 0 0 "[ . 1 . 2]" 1
458 1 20 VAL HB 1 22 ALA H 5.100 . 6.000 4.755 4.426 5.736 . 0 0 "[ . 1 . 2]" 1
459 1 55 THR H 1 56 LEU H 5.000 . 6.000 4.539 4.467 4.605 . 0 0 "[ . 1 . 2]" 1
460 1 18 HIS HA 1 20 VAL H 4.600 . 6.000 3.953 3.598 4.647 . 0 0 "[ . 1 . 2]" 1
461 1 39 GLN H 1 43 GLY H 4.900 . 6.000 4.860 4.638 5.215 . 0 0 "[ . 1 . 2]" 1
462 1 9 LEU H 1 45 VAL HB 4.600 . 6.000 3.559 3.141 3.783 . 0 0 "[ . 1 . 2]" 1
463 1 18 HIS HA 1 19 CYS H 4.800 . 6.000 3.474 3.366 3.572 . 0 0 "[ . 1 . 2]" 1
464 1 9 LEU H 1 44 THR HA 5.200 . 6.000 4.949 4.728 5.437 . 0 0 "[ . 1 . 2]" 1
465 1 5 GLU HA 1 49 ILE H 5.000 . 6.000 4.786 4.620 5.029 . 0 0 "[ . 1 . 2]" 1
466 1 4 MET H 1 48 THR MG 5.400 . 6.000 5.302 4.839 5.795 . 0 0 "[ . 1 . 2]" 1
467 1 64 GLU H 1 68 TYR H 5.600 . 6.000 4.879 4.680 5.042 . 0 0 "[ . 1 . 2]" 1
468 1 26 SER H 1 29 GLU HG3 4.600 . 6.000 5.010 4.557 5.957 . 0 0 "[ . 1 . 2]" 1
469 1 43 GLY H 1 44 THR HA 5.700 . 6.000 5.060 4.946 5.165 . 0 0 "[ . 1 . 2]" 1
470 1 12 GLU H 1 13 GLY H 5.600 . 6.000 4.376 4.232 4.480 . 0 0 "[ . 1 . 2]" 1
471 1 35 GLN H 1 49 ILE HA 5.700 . 6.000 4.474 4.011 5.208 . 0 0 "[ . 1 . 2]" 1
472 1 32 GLY H 1 50 ASP HB2 6.000 . 6.000 5.978 4.885 6.409 0.409 12 0 "[ . 1 . 2]" 1
473 1 61 ALA H 1 64 GLU H 5.500 . 6.000 4.825 4.633 4.988 . 0 0 "[ . 1 . 2]" 1
474 1 23 ILE MG 1 26 SER H 6.000 . 6.000 4.884 4.799 5.003 . 0 0 "[ . 1 . 2]" 1
475 1 12 GLU H 1 71 GLN H 5.400 . 6.000 5.267 4.603 5.894 . 0 0 "[ . 1 . 2]" 1
476 1 60 VAL HA 1 62 VAL H 6.000 . 6.000 4.559 4.377 4.730 . 0 0 "[ . 1 . 2]" 1
477 1 20 VAL HA 1 24 GLU H 6.000 . 6.000 4.040 3.749 4.268 . 0 0 "[ . 1 . 2]" 1
478 1 8 THR H 1 9 LEU H 6.000 . 6.000 4.183 3.955 4.374 . 0 0 "[ . 1 . 2]" 1
479 1 10 GLN QB 1 10 GLN QG 1.600 . 2.200 2.066 1.995 2.081 . 0 0 "[ . 1 . 2]" 1
480 1 11 VAL QG 1 44 THR HA 1.700 . 2.200 2.266 2.213 2.326 0.126 7 0 "[ . 1 . 2]" 1
481 1 57 LYS HA 1 57 LYS QG 1.700 . 2.200 2.302 2.238 2.372 0.172 6 0 "[ . 1 . 2]" 1
482 1 49 ILE HB 1 49 ILE MG 1.800 . 2.200 2.124 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
483 1 29 GLU QB 1 29 GLU HG2 2.000 . 2.500 2.381 2.326 2.441 . 0 0 "[ . 1 . 2]" 1
484 1 29 GLU HA 1 29 GLU HG2 2.000 . 2.500 2.556 2.393 2.732 0.232 7 0 "[ . 1 . 2]" 1
485 1 47 VAL HB 1 47 VAL QG 2.000 . 2.500 1.894 1.892 1.896 . 0 0 "[ . 1 . 2]" 1
486 1 7 LEU QB 1 7 LEU QD 2.100 . 2.600 1.959 1.924 2.059 . 0 0 "[ . 1 . 2]" 1
487 1 33 VAL HA 1 33 VAL QG 2.000 . 2.500 2.106 2.092 2.119 . 0 0 "[ . 1 . 2]" 1
488 1 37 LYS QD 1 37 LYS QE 2.100 . 2.600 2.053 2.001 2.092 . 0 0 "[ . 1 . 2]" 1
489 1 6 GLN HB3 1 6 GLN HG2 2.000 . 2.500 2.455 2.309 2.997 0.497 18 0 "[ . 1 . 2]" 1
490 1 47 VAL HB 1 47 VAL MG2 2.000 . 2.500 2.127 2.125 2.129 . 0 0 "[ . 1 . 2]" 1
491 1 27 VAL HA 1 27 VAL QG 2.100 . 2.600 2.139 2.120 2.349 . 0 0 "[ . 1 . 2]" 1
492 1 33 VAL HB 1 33 VAL QG 2.000 . 2.500 1.897 1.894 1.899 . 0 0 "[ . 1 . 2]" 1
493 1 42 GLU HA 1 42 GLU HB2 2.200 . 2.800 2.562 2.294 2.888 0.088 2 0 "[ . 1 . 2]" 1
494 1 38 VAL HB 1 38 VAL QG 2.100 . 2.700 1.894 1.890 1.897 0.110 3 0 "[ . 1 . 2]" 1
495 1 40 LEU MD1 1 40 LEU HG 2.100 . 2.700 2.123 2.120 2.128 . 0 0 "[ . 1 . 2]" 1
496 1 57 LYS QD 1 57 LYS QE 2.200 . 2.800 2.027 1.990 2.089 . 0 0 "[ . 1 . 2]" 1
497 1 41 ALA HA 1 41 ALA MB 2.200 . 2.800 2.126 2.121 2.128 . 0 0 "[ . 1 . 2]" 1
498 1 63 ILE HB 1 63 ILE MD 2.100 . 2.600 2.435 2.377 2.551 . 0 0 "[ . 1 . 2]" 1
499 1 5 GLU HB2 1 5 GLU HG2 2.200 . 2.800 2.565 2.367 3.007 0.207 15 0 "[ . 1 . 2]" 1
500 1 62 VAL MG1 1 62 VAL MG2 2.200 . 2.800 2.085 2.079 2.092 . 0 0 "[ . 1 . 2]" 1
501 1 55 THR HB 1 55 THR MG 2.100 . 2.700 2.133 2.131 2.136 . 0 0 "[ . 1 . 2]" 1
502 1 56 LEU HA 1 56 LEU HB3 2.200 . 2.800 2.687 2.363 3.028 0.228 6 0 "[ . 1 . 2]" 1
503 1 53 VAL HB 1 53 VAL QG 2.100 . 2.600 1.897 1.895 1.900 . 0 0 "[ . 1 . 2]" 1
504 1 61 ALA HA 1 61 ALA MB 2.200 . 2.800 2.126 2.123 2.128 . 0 0 "[ . 1 . 2]" 1
505 1 49 ILE MD 1 49 ILE HG12 2.100 . 2.700 2.118 2.115 2.123 . 0 0 "[ . 1 . 2]" 1
506 1 33 VAL HA 1 49 ILE MG 2.200 . 2.800 2.569 2.072 2.829 0.029 9 0 "[ . 1 . 2]" 1
507 1 30 LEU QD 1 30 LEU HG 2.100 . 2.700 1.893 1.891 1.895 . 0 0 "[ . 1 . 2]" 1
508 1 30 LEU HA 1 30 LEU QD 2.100 . 2.700 2.004 1.804 2.130 . 0 0 "[ . 1 . 2]" 1
509 1 57 LYS HB3 1 57 LYS QG 2.200 . 2.800 2.372 2.332 2.410 . 0 0 "[ . 1 . 2]" 1
510 1 39 GLN HB2 1 39 GLN HG2 2.300 . 2.900 2.689 2.394 3.013 0.113 1 0 "[ . 1 . 2]" 1
511 1 53 VAL HA 1 53 VAL QG 2.300 . 3.000 2.137 2.126 2.144 . 0 0 "[ . 1 . 2]" 1
512 1 30 LEU HB2 1 30 LEU QD 2.400 . 3.100 2.364 2.326 2.465 . 0 0 "[ . 1 . 2]" 1
513 1 37 LYS QD 1 37 LYS QG 2.200 . 2.800 2.021 1.992 2.092 . 0 0 "[ . 1 . 2]" 1
514 1 30 LEU MD2 1 62 VAL QG 2.300 . 2.500 1.874 1.630 2.328 0.070 13 0 "[ . 1 . 2]" 1
515 1 29 GLU HA 1 29 GLU HB3 2.500 . 3.300 2.542 2.488 2.667 . 0 0 "[ . 1 . 2]" 1
516 1 30 LEU HB3 1 30 LEU QD 2.200 . 2.800 2.145 2.102 2.265 . 0 0 "[ . 1 . 2]" 1
517 1 14 MET ME 1 40 LEU QD 2.400 . 3.100 2.776 2.114 3.243 0.143 18 0 "[ . 1 . 2]" 1
518 1 44 THR HB 1 44 THR MG 2.200 . 2.800 2.134 2.127 2.137 . 0 0 "[ . 1 . 2]" 1
519 1 3 ALA HA 1 3 ALA MB 2.300 . 3.000 2.132 2.128 2.135 . 0 0 "[ . 1 . 2]" 1
520 1 59 ILE HB 1 59 ILE MD 2.200 . 2.800 2.068 1.991 2.099 . 0 0 "[ . 1 . 2]" 1
521 1 53 VAL QG 1 54 VAL HB 2.400 . 3.100 3.044 2.890 3.124 0.024 9 0 "[ . 1 . 2]" 1
522 1 21 ASN HA 1 21 ASN QB 2.300 . 3.000 2.351 2.186 2.415 . 0 0 "[ . 1 . 2]" 1
523 1 9 LEU HB2 1 9 LEU QD 2.200 . 2.800 2.119 2.065 2.164 . 0 0 "[ . 1 . 2]" 1
524 1 64 GLU HB3 1 64 GLU HG2 2.600 . 3.500 2.526 2.413 2.652 . 0 0 "[ . 1 . 2]" 1
525 1 60 VAL HA 1 60 VAL MG2 2.300 . 3.000 2.346 2.208 2.426 . 0 0 "[ . 1 . 2]" 1
526 1 11 VAL HA 1 11 VAL QG 2.300 . 3.000 2.172 2.119 2.456 . 0 0 "[ . 1 . 2]" 1
527 1 4 MET HB2 1 4 MET QG 2.200 . 2.800 2.228 2.140 2.403 . 0 0 "[ . 1 . 2]" 1
528 1 5 GLU HB3 1 5 GLU HG2 2.500 . 3.300 2.853 2.433 3.011 . 0 0 "[ . 1 . 2]" 1
529 1 56 LEU HB3 1 56 LEU MD2 2.300 . 3.000 2.442 2.135 3.202 0.202 2 0 "[ . 1 . 2]" 1
530 1 26 SER HA 1 26 SER HB2 2.300 . 2.900 2.893 2.457 3.034 0.134 18 0 "[ . 1 . 2]" 1
531 1 55 THR HA 1 55 THR HB 2.300 . 3.000 2.437 2.385 2.500 . 0 0 "[ . 1 . 2]" 1
532 1 55 THR HA 1 55 THR MG 2.400 . 3.100 2.401 2.312 2.501 . 0 0 "[ . 1 . 2]" 1
533 1 56 LEU HB3 1 56 LEU QD 2.400 . 3.100 2.077 2.027 2.113 . 0 0 "[ . 1 . 2]" 1
534 1 47 VAL HA 1 47 VAL MG1 2.400 . 3.100 2.341 2.279 2.375 . 0 0 "[ . 1 . 2]" 1
535 1 57 LYS QD 1 57 LYS HG2 2.300 . 3.000 2.313 2.157 2.394 . 0 0 "[ . 1 . 2]" 1
536 1 8 THR HA 1 46 GLU HA 2.300 . 2.900 2.256 1.945 2.583 . 0 0 "[ . 1 . 2]" 1
537 1 32 GLY HA3 1 53 VAL QG 2.500 . 3.300 2.740 2.353 3.108 . 0 0 "[ . 1 . 2]" 1
538 1 59 ILE MD 1 59 ILE HG12 2.300 . 2.900 2.116 2.111 2.120 . 0 0 "[ . 1 . 2]" 1
539 1 8 THR HA 1 8 THR MG 2.400 . 3.100 2.336 2.264 2.416 . 0 0 "[ . 1 . 2]" 1
540 1 54 VAL HB 1 54 VAL MG1 2.300 . 2.900 2.122 2.118 2.125 . 0 0 "[ . 1 . 2]" 1
541 1 60 VAL HB 1 60 VAL MG2 2.300 . 3.000 2.128 2.123 2.131 . 0 0 "[ . 1 . 2]" 1
542 1 29 GLU HB2 1 30 LEU MD2 2.500 . 3.300 3.318 3.032 3.518 0.218 20 0 "[ . 1 . 2]" 1
543 1 39 GLN HA 1 39 GLN HB3 2.300 . 3.000 2.384 2.166 2.742 . 0 0 "[ . 1 . 2]" 1
544 1 7 LEU HA 1 7 LEU QD 2.400 . 3.100 2.028 1.880 2.539 0.120 3 0 "[ . 1 . 2]" 1
545 1 32 GLY HA3 1 53 VAL HB 2.300 . 2.900 2.701 2.454 2.948 0.048 8 0 "[ . 1 . 2]" 1
546 1 30 LEU HA 1 30 LEU MD2 2.300 . 3.000 2.084 1.883 2.376 . 0 0 "[ . 1 . 2]" 1
547 1 58 ASP HA 1 58 ASP HB3 2.400 . 3.100 2.540 2.434 2.653 . 0 0 "[ . 1 . 2]" 1
548 1 34 GLU HB3 1 34 GLU QG 2.300 . 3.000 2.214 2.153 2.369 . 0 0 "[ . 1 . 2]" 1
549 1 62 VAL HA 1 62 VAL QG 2.400 . 3.100 2.143 2.120 2.283 . 0 0 "[ . 1 . 2]" 1
550 1 56 LEU HB2 1 56 LEU MD1 2.400 . 3.100 2.469 2.132 3.200 0.100 16 0 "[ . 1 . 2]" 1
551 1 42 GLU HA 1 42 GLU HB3 2.400 . 3.100 2.544 2.404 3.017 . 0 0 "[ . 1 . 2]" 1
552 1 49 ILE HB 1 49 ILE MD 2.300 . 3.000 2.342 2.280 2.382 . 0 0 "[ . 1 . 2]" 1
553 1 63 ILE HB 1 63 ILE MG 2.300 . 2.900 2.127 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
554 1 10 GLN HA 1 44 THR HA 2.200 . 2.800 2.429 1.973 2.806 0.006 11 0 "[ . 1 . 2]" 1
555 1 65 ASP HA 1 65 ASP HB3 2.700 . 3.600 3.027 3.022 3.030 . 0 0 "[ . 1 . 2]" 1
556 1 63 ILE HB 1 63 ILE HG13 2.200 . 2.800 2.492 2.435 3.022 0.222 18 0 "[ . 1 . 2]" 1
557 1 57 LYS HA 1 57 LYS QB 2.400 . 3.100 2.497 2.422 2.527 . 0 0 "[ . 1 . 2]" 1
558 1 54 VAL HA 1 54 VAL HB 2.300 . 3.000 2.500 2.455 2.548 . 0 0 "[ . 1 . 2]" 1
559 1 28 LYS HA 1 33 VAL QG 2.700 . 3.600 2.179 1.773 2.524 0.027 3 0 "[ . 1 . 2]" 1
560 1 4 MET HA 1 50 ASP HA 2.300 . 3.000 2.543 1.983 3.102 0.102 17 0 "[ . 1 . 2]" 1
561 1 30 LEU HA 1 30 LEU HB3 2.300 . 3.000 2.514 2.395 2.767 . 0 0 "[ . 1 . 2]" 1
562 1 45 VAL HA 1 45 VAL MG2 2.400 . 3.100 2.451 2.337 3.041 . 0 0 "[ . 1 . 2]" 1
563 1 48 THR HA 1 48 THR MG 2.400 . 3.100 2.305 2.236 2.356 . 0 0 "[ . 1 . 2]" 1
564 1 6 GLN HA 1 6 GLN HG2 2.500 . 3.300 2.758 2.425 3.665 0.365 11 0 "[ . 1 . 2]" 1
565 1 28 LYS HA 1 28 LYS QB 2.400 . 3.100 2.366 2.268 2.526 . 0 0 "[ . 1 . 2]" 1
566 1 65 ASP HA 1 65 ASP HB2 2.400 . 3.100 2.451 2.413 2.490 . 0 0 "[ . 1 . 2]" 1
567 1 53 VAL QG 1 54 VAL HA 2.600 . 3.400 3.457 3.406 3.517 0.117 12 0 "[ . 1 . 2]" 1
568 1 52 SER HA 1 52 SER HB2 2.500 . 3.300 2.875 2.484 3.029 . 0 0 "[ . 1 . 2]" 1
569 1 44 THR HA 1 44 THR MG 2.500 . 3.300 2.293 2.239 2.394 . 0 0 "[ . 1 . 2]" 1
570 1 31 ASN HA 1 31 ASN HB3 2.400 . 3.100 3.004 2.598 3.029 . 0 0 "[ . 1 . 2]" 1
571 1 51 SER HA 1 51 SER HB2 2.400 . 3.100 2.527 2.392 3.021 . 0 0 "[ . 1 . 2]" 1
572 1 59 ILE MD 1 59 ILE HG12 2.400 . 3.100 2.055 1.971 2.091 . 0 0 "[ . 1 . 2]" 1
573 1 4 MET HB2 1 4 MET QG 2.400 . 3.100 2.054 1.955 2.200 . 0 0 "[ . 1 . 2]" 1
574 1 59 ILE HB 1 59 ILE MG 2.400 . 3.100 2.126 2.123 2.131 . 0 0 "[ . 1 . 2]" 1
575 1 27 VAL HB 1 27 VAL MG2 2.400 . 3.100 2.128 2.121 2.130 . 0 0 "[ . 1 . 2]" 1
576 1 44 THR HA 1 44 THR HB 2.400 . 3.100 2.545 2.450 2.630 . 0 0 "[ . 1 . 2]" 1
577 1 32 GLY HA2 1 53 VAL QG 2.600 . 3.400 2.881 2.432 3.424 0.024 11 0 "[ . 1 . 2]" 1
578 1 66 GLN HB3 1 66 GLN QG 2.500 . 3.300 2.332 2.164 2.390 . 0 0 "[ . 1 . 2]" 1
579 1 28 LYS QB 1 28 LYS HG2 2.400 . 3.100 2.269 2.150 2.412 . 0 0 "[ . 1 . 2]" 1
580 1 26 SER HA 1 26 SER HB3 2.600 . 3.500 2.560 2.393 3.036 . 0 0 "[ . 1 . 2]" 1
581 1 45 VAL HA 1 45 VAL MG1 2.500 . 3.300 2.360 2.140 2.441 . 0 0 "[ . 1 . 2]" 1
582 1 57 LYS HA 1 57 LYS HB2 2.500 . 3.300 2.706 2.553 2.822 . 0 0 "[ . 1 . 2]" 1
583 1 52 SER HA 1 52 SER HB3 2.600 . 3.500 2.620 2.393 3.030 . 0 0 "[ . 1 . 2]" 1
584 1 60 VAL HA 1 60 VAL MG1 2.600 . 3.400 2.448 2.366 2.629 . 0 0 "[ . 1 . 2]" 1
585 1 7 LEU HA 1 7 LEU QB 2.500 . 3.300 2.382 2.345 2.470 . 0 0 "[ . 1 . 2]" 1
586 1 49 ILE HA 1 49 ILE MG 2.400 . 3.200 2.359 2.307 2.410 . 0 0 "[ . 1 . 2]" 1
587 1 30 LEU MD2 1 30 LEU HG 2.400 . 3.100 2.127 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
588 1 59 ILE HA 1 59 ILE MG 2.500 . 3.300 2.378 2.317 2.438 . 0 0 "[ . 1 . 2]" 1
589 1 31 ASN HA 1 31 ASN HB2 2.700 . 3.600 2.505 2.425 2.992 . 0 0 "[ . 1 . 2]" 1
590 1 51 SER HA 1 51 SER HB3 2.700 . 3.600 2.663 2.361 3.027 . 0 0 "[ . 1 . 2]" 1
591 1 64 GLU HB2 1 64 GLU HG2 2.400 . 3.100 3.004 2.979 3.014 . 0 0 "[ . 1 . 2]" 1
592 1 34 GLU QG 1 48 THR HB 2.600 . 3.500 3.235 2.933 3.469 . 0 0 "[ . 1 . 2]" 1
593 1 56 LEU HA 1 56 LEU QD 2.700 . 3.600 2.344 1.791 3.151 0.009 15 0 "[ . 1 . 2]" 1
594 1 14 MET ME 1 14 MET QG 2.600 . 3.400 2.254 2.210 2.497 . 0 0 "[ . 1 . 2]" 1
595 1 57 LYS HB2 1 57 LYS QG 2.500 . 3.300 2.163 2.153 2.170 . 0 0 "[ . 1 . 2]" 1
596 1 34 GLU HA 1 34 GLU HB3 2.700 . 3.600 2.906 2.469 3.024 . 0 0 "[ . 1 . 2]" 1
597 1 9 LEU QD 1 45 VAL HB 2.700 . 3.600 2.781 1.716 3.295 0.084 3 0 "[ . 1 . 2]" 1
598 1 56 LEU HA 1 56 LEU MD2 2.800 . 3.800 3.376 1.821 4.063 0.263 3 0 "[ . 1 . 2]" 1
599 1 27 VAL HA 1 27 VAL MG2 2.500 . 3.300 2.454 2.397 2.511 . 0 0 "[ . 1 . 2]" 1
600 1 50 ASP HA 1 50 ASP HB3 2.700 . 3.600 3.000 2.498 3.037 . 0 0 "[ . 1 . 2]" 1
601 1 56 LEU HB2 1 56 LEU MD2 2.800 . 3.800 2.607 2.322 3.198 . 0 0 "[ . 1 . 2]" 1
602 1 58 ASP HA 1 58 ASP HB2 2.800 . 3.800 3.019 2.984 3.035 . 0 0 "[ . 1 . 2]" 1
603 1 39 GLN HA 1 39 GLN HB2 2.700 . 3.600 3.016 2.859 3.028 . 0 0 "[ . 1 . 2]" 1
604 1 4 MET ME 1 48 THR MG 2.600 . 3.400 2.434 1.771 3.489 0.089 19 0 "[ . 1 . 2]" 1
605 1 28 LYS HA 1 28 LYS HG2 2.700 . 3.600 3.285 2.301 3.884 0.284 15 0 "[ . 1 . 2]" 1
606 1 46 GLU HA 1 46 GLU HG2 2.600 . 3.400 2.765 2.392 3.204 . 0 0 "[ . 1 . 2]" 1
607 1 54 VAL HA 1 54 VAL MG1 2.900 . 4.000 3.219 3.212 3.224 . 0 0 "[ . 1 . 2]" 1
608 1 42 GLU HB2 1 44 THR MG 2.900 . 3.900 3.945 3.814 4.385 0.485 13 0 "[ . 1 . 2]" 1
609 1 64 GLU HB2 1 64 GLU HG3 3.000 . 4.100 2.367 2.277 2.464 . 0 0 "[ . 1 . 2]" 1
610 1 63 ILE HB 1 63 ILE MD 2.400 . 3.100 2.191 2.167 2.423 . 0 0 "[ . 1 . 2]" 1
611 1 23 ILE HA 1 23 ILE MG 2.900 . 4.000 3.217 3.210 3.223 . 0 0 "[ . 1 . 2]" 1
612 1 57 LYS HA 1 60 VAL HB 2.500 . 3.300 2.553 2.228 2.923 . 0 0 "[ . 1 . 2]" 1
613 1 58 ASP HA 1 61 ALA MB 2.600 . 3.500 2.730 2.498 3.256 . 0 0 "[ . 1 . 2]" 1
614 1 39 GLN HA 1 39 GLN HG2 2.600 . 3.400 2.953 2.472 3.626 0.226 5 0 "[ . 1 . 2]" 1
615 1 49 ILE HA 1 49 ILE HB 2.500 . 3.300 2.451 2.404 2.486 . 0 0 "[ . 1 . 2]" 1
616 1 37 LYS HA 1 37 LYS QB 2.600 . 3.400 2.316 2.165 2.423 . 0 0 "[ . 1 . 2]" 1
617 1 30 LEU HB3 1 30 LEU MD1 2.500 . 3.300 2.284 2.209 2.317 . 0 0 "[ . 1 . 2]" 1
618 1 70 VAL HA 1 70 VAL QG 2.700 . 3.600 2.214 2.132 2.471 . 0 0 "[ . 1 . 2]" 1
619 1 33 VAL HA 1 49 ILE HA 2.500 . 3.300 2.325 2.166 2.482 . 0 0 "[ . 1 . 2]" 1
620 1 4 MET HB2 1 48 THR MG 3.000 . 4.100 3.317 1.852 4.130 0.048 1 0 "[ . 1 . 2]" 1
621 1 34 GLU HA 1 34 GLU HB2 2.600 . 3.500 2.538 2.330 3.024 . 0 0 "[ . 1 . 2]" 1
622 1 8 THR MG 1 44 THR HB 2.600 . 3.400 2.324 1.786 2.767 0.014 15 0 "[ . 1 . 2]" 1
623 1 35 GLN HA 1 35 GLN QG 2.700 . 3.600 2.877 2.402 3.327 . 0 0 "[ . 1 . 2]" 1
624 1 14 MET ME 1 43 GLY QA 3.400 . 3.500 2.229 1.909 3.000 0.091 7 0 "[ . 1 . 2]" 1
625 1 11 VAL HA 1 70 VAL QG 2.800 . 3.600 2.070 1.781 3.102 0.019 8 0 "[ . 1 . 2]" 1
626 1 50 ASP HA 1 50 ASP HB2 2.600 . 3.400 2.556 2.475 3.034 . 0 0 "[ . 1 . 2]" 1
627 1 62 VAL HA 1 65 ASP HB2 2.900 . 3.900 3.319 2.979 3.765 . 0 0 "[ . 1 . 2]" 1
628 1 62 VAL HA 1 62 VAL HB 2.700 . 3.600 2.971 2.456 3.028 . 0 0 "[ . 1 . 2]" 1
629 1 37 LYS HA 1 37 LYS QG 2.700 . 3.600 2.637 2.373 3.369 . 0 0 "[ . 1 . 2]" 1
630 1 28 LYS HA 1 33 VAL HB 2.700 . 3.600 2.881 2.581 3.094 . 0 0 "[ . 1 . 2]" 1
631 1 56 LEU HB2 1 56 LEU QD 2.800 . 3.700 2.083 2.032 2.119 . 0 0 "[ . 1 . 2]" 1
632 1 5 GLU HA 1 5 GLU HG2 2.700 . 3.600 2.945 2.365 3.611 0.011 13 0 "[ . 1 . 2]" 1
633 1 9 LEU HB3 1 9 LEU QD 3.000 . 3.500 2.173 2.092 2.263 . 0 0 "[ . 1 . 2]" 1
634 1 68 TYR HA 1 68 TYR HB3 3.000 . 4.100 2.452 2.408 2.501 . 0 0 "[ . 1 . 2]" 1
635 1 50 ASP HB3 1 53 VAL QG 2.800 . 3.800 2.855 2.357 3.262 . 0 0 "[ . 1 . 2]" 1
636 1 66 GLN HA 1 66 GLN HB2 2.900 . 3.900 2.626 2.369 2.728 . 0 0 "[ . 1 . 2]" 1
637 1 10 GLN HA 1 44 THR MG 2.600 . 3.500 1.897 1.643 2.252 0.057 5 0 "[ . 1 . 2]" 1
638 1 11 VAL QG 1 14 MET ME 2.700 . 3.600 2.147 1.861 2.704 . 0 0 "[ . 1 . 2]" 1
639 1 38 VAL HA 1 38 VAL QG 2.800 . 3.700 2.301 2.121 2.415 . 0 0 "[ . 1 . 2]" 1
640 1 57 LYS QD 1 61 ALA HA 3.000 . 4.100 4.052 3.613 4.212 0.112 13 0 "[ . 1 . 2]" 1
641 1 37 LYS QE 1 37 LYS QG 2.900 . 3.900 2.437 2.140 2.817 . 0 0 "[ . 1 . 2]" 1
642 1 39 GLN HA 1 39 GLN HB3 2.600 . 3.400 2.471 2.402 2.847 . 0 0 "[ . 1 . 2]" 1
643 1 59 ILE HB 1 59 ILE HG12 2.700 . 3.600 2.618 2.426 3.027 . 0 0 "[ . 1 . 2]" 1
644 1 57 LYS HA 1 60 VAL MG2 3.300 . 4.600 3.079 2.634 3.623 . 0 0 "[ . 1 . 2]" 1
645 1 9 LEU HA 1 9 LEU HB3 2.600 . 3.500 2.436 2.246 2.648 . 0 0 "[ . 1 . 2]" 1
646 1 49 ILE MD 1 51 SER HA 2.800 . 3.800 2.829 2.560 3.080 . 0 0 "[ . 1 . 2]" 1
647 1 49 ILE MD 1 51 SER HB2 2.900 . 4.000 3.500 2.598 4.108 0.108 14 0 "[ . 1 . 2]" 1
648 1 71 GLN HA 1 71 GLN QG 2.900 . 4.000 2.577 2.352 3.080 . 0 0 "[ . 1 . 2]" 1
649 1 30 LEU HB3 1 59 ILE MD 2.700 . 3.600 3.591 3.418 3.668 0.068 15 0 "[ . 1 . 2]" 1
650 1 42 GLU HA 1 42 GLU HB2 2.900 . 4.000 2.969 2.527 3.025 . 0 0 "[ . 1 . 2]" 1
651 1 5 GLU HA 1 5 GLU HB3 2.700 . 3.600 2.530 2.436 2.759 . 0 0 "[ . 1 . 2]" 1
652 1 54 VAL MG1 1 58 ASP HB2 3.200 . 4.500 4.374 3.968 4.928 0.428 9 0 "[ . 1 . 2]" 1
653 1 59 ILE HG12 1 59 ILE MG 3.000 . 4.100 2.953 2.355 3.206 . 0 0 "[ . 1 . 2]" 1
654 1 56 LEU HA 1 56 LEU HB2 2.900 . 3.900 2.670 2.441 3.026 . 0 0 "[ . 1 . 2]" 1
655 1 36 VAL HA 1 47 VAL HB 3.500 . 5.000 4.890 4.573 5.087 0.087 15 0 "[ . 1 . 2]" 1
656 1 17 GLY HA2 1 40 LEU HG 2.700 . 3.600 3.480 2.934 3.723 0.123 10 0 "[ . 1 . 2]" 1
657 1 34 GLU HB3 1 48 THR MG 2.800 . 3.800 3.004 2.611 4.110 0.310 11 0 "[ . 1 . 2]" 1
658 1 32 GLY HA2 1 53 VAL HB 2.800 . 3.800 3.162 2.612 3.651 . 0 0 "[ . 1 . 2]" 1
659 1 4 MET HA 1 4 MET QG 3.200 . 4.300 3.018 2.290 3.456 . 0 0 "[ . 1 . 2]" 1
660 1 8 THR HA 1 46 GLU HG3 3.000 . 4.200 4.010 2.780 5.067 0.867 7 3 "[ . + 1 .- * 2]" 1
661 1 9 LEU HB3 1 45 VAL HB 3.200 . 4.500 4.552 3.729 5.362 0.862 5 7 "[ ** +* 1 * . -*]" 1
662 1 40 LEU HA 1 40 LEU HB2 2.700 . 3.600 2.580 2.477 2.704 . 0 0 "[ . 1 . 2]" 1
663 1 53 VAL HA 1 53 VAL HB 2.800 . 3.800 3.024 3.018 3.028 . 0 0 "[ . 1 . 2]" 1
664 1 25 SER HA 1 28 LYS QB 2.600 . 3.400 1.880 1.700 2.197 0.100 2 0 "[ . 1 . 2]" 1
665 1 59 ILE HA 1 59 ILE HB 2.900 . 3.900 3.024 3.018 3.027 . 0 0 "[ . 1 . 2]" 1
666 1 68 TYR HA 1 68 TYR HB2 2.700 . 3.600 3.024 3.010 3.034 . 0 0 "[ . 1 . 2]" 1
667 1 63 ILE HA 1 63 ILE MG 2.800 . 3.800 2.467 2.340 2.628 . 0 0 "[ . 1 . 2]" 1
668 1 63 ILE HA 1 63 ILE MD 3.000 . 4.100 2.820 2.121 2.931 . 0 0 "[ . 1 . 2]" 1
669 1 22 ALA MB 1 66 GLN HA 3.100 . 6.000 5.813 5.208 6.056 0.056 9 0 "[ . 1 . 2]" 1
670 1 2 ASN HA 1 2 ASN HB2 2.900 . 3.900 2.660 2.325 3.029 . 0 0 "[ . 1 . 2]" 1
671 1 60 VAL HA 1 63 ILE MD 2.800 . 3.700 2.711 2.097 3.881 0.181 18 0 "[ . 1 . 2]" 1
672 1 2 ASN HA 1 2 ASN HB3 3.000 . 4.100 2.642 2.401 3.030 . 0 0 "[ . 1 . 2]" 1
673 1 49 ILE MD 1 51 SER HB3 2.900 . 4.000 3.572 2.891 4.119 0.119 9 0 "[ . 1 . 2]" 1
674 1 20 VAL HA 1 38 VAL QG 2.800 . 3.800 2.263 1.959 2.677 . 0 0 "[ . 1 . 2]" 1
675 1 20 VAL HA 1 23 ILE MG 2.700 . 3.600 2.443 2.060 2.914 . 0 0 "[ . 1 . 2]" 1
676 1 60 VAL HA 1 60 VAL HB 2.900 . 4.000 3.022 2.996 3.029 . 0 0 "[ . 1 . 2]" 1
677 1 30 LEU HA 1 30 LEU HB2 2.900 . 4.000 2.998 2.912 3.019 . 0 0 "[ . 1 . 2]" 1
678 1 30 LEU HA 1 31 ASN HB3 3.500 . 5.000 4.751 4.517 5.621 0.621 20 1 "[ . 1 . +]" 1
679 1 60 VAL HA 1 63 ILE HB 2.700 . 3.600 2.653 2.301 3.029 . 0 0 "[ . 1 . 2]" 1
680 1 63 ILE MG 1 68 TYR HB2 3.400 . 4.800 2.071 1.909 2.527 0.091 10 0 "[ . 1 . 2]" 1
681 1 59 ILE HB 1 59 ILE HG13 2.700 . 3.600 2.470 2.440 2.492 . 0 0 "[ . 1 . 2]" 1
682 1 59 ILE HB 1 60 VAL MG2 3.600 . 5.200 3.077 2.865 3.431 . 0 0 "[ . 1 . 2]" 1
683 1 56 LEU HA 1 59 ILE HB 2.900 . 3.900 3.090 2.711 3.390 . 0 0 "[ . 1 . 2]" 1
684 1 68 TYR HB3 1 68 TYR QD 2.700 . 3.600 2.525 2.367 2.725 . 0 0 "[ . 1 . 2]" 1
685 1 48 THR HA 1 48 THR HB 2.900 . 4.000 3.026 3.009 3.035 . 0 0 "[ . 1 . 2]" 1
686 1 29 GLU HA 1 29 GLU HG3 3.200 . 4.500 3.345 2.973 3.717 . 0 0 "[ . 1 . 2]" 1
687 1 14 MET ME 1 40 LEU MD1 3.300 . 4.600 4.343 3.205 4.974 0.374 15 0 "[ . 1 . 2]" 1
688 1 7 LEU QB 1 7 LEU QD 2.900 . 3.900 1.860 1.847 1.875 0.153 16 0 "[ . 1 . 2]" 1
689 1 42 GLU HA 1 42 GLU HG3 3.100 . 4.300 3.194 2.421 3.782 . 0 0 "[ . 1 . 2]" 1
690 1 61 ALA HA 1 64 GLU HB2 2.900 . 3.900 3.302 2.763 3.733 . 0 0 "[ . 1 . 2]" 1
691 1 7 LEU QB 1 9 LEU QD 2.900 . 4.000 2.698 2.153 3.405 . 0 0 "[ . 1 . 2]" 1
692 1 32 GLY HA3 1 54 VAL HB 2.600 . 3.500 2.631 2.148 3.242 . 0 0 "[ . 1 . 2]" 1
693 1 6 GLN HA 1 6 GLN HB3 2.800 . 3.800 2.564 2.413 3.020 . 0 0 "[ . 1 . 2]" 1
694 1 34 GLU HB3 1 48 THR HB 2.700 . 3.600 2.713 1.994 3.460 . 0 0 "[ . 1 . 2]" 1
695 1 31 ASN HB3 1 54 VAL HA 2.600 . 6.000 5.849 4.482 6.499 0.499 20 0 "[ . 1 . 2]" 1
696 1 8 THR HA 1 8 THR HB 3.000 . 4.100 3.025 3.011 3.030 . 0 0 "[ . 1 . 2]" 1
697 1 47 VAL HA 1 47 VAL HB 2.900 . 4.000 3.021 3.010 3.025 . 0 0 "[ . 1 . 2]" 1
698 1 42 GLU HA 1 42 GLU HG2 3.100 . 4.300 2.932 2.380 3.709 . 0 0 "[ . 1 . 2]" 1
699 1 28 LYS HA 1 36 VAL QG 3.000 . 4.200 2.826 2.272 3.642 . 0 0 "[ . 1 . 2]" 1
700 1 40 LEU HA 1 40 LEU MD1 3.100 . 4.300 3.122 2.613 3.806 . 0 0 "[ . 1 . 2]" 1
701 1 30 LEU HB3 1 30 LEU HG 3.000 . 4.100 2.861 2.469 3.014 . 0 0 "[ . 1 . 2]" 1
702 1 69 ASP HA 1 69 ASP HB3 3.000 . 4.100 2.759 2.417 3.036 . 0 0 "[ . 1 . 2]" 1
703 1 64 GLU HB3 1 68 TYR HA 3.400 . 6.000 5.997 5.751 6.125 0.125 10 0 "[ . 1 . 2]" 1
704 1 54 VAL HA 1 58 ASP HB3 3.700 . 6.000 5.138 4.600 5.659 . 0 0 "[ . 1 . 2]" 1
705 1 33 VAL HA 1 33 VAL HB 3.000 . 4.100 3.020 3.013 3.023 . 0 0 "[ . 1 . 2]" 1
706 1 62 VAL HA 1 65 ASP HB3 2.900 . 3.900 2.678 2.453 3.177 . 0 0 "[ . 1 . 2]" 1
707 1 20 VAL HA 1 20 VAL MG2 3.000 . 4.100 2.366 2.252 2.433 . 0 0 "[ . 1 . 2]" 1
708 1 50 ASP HB2 1 53 VAL HB 3.700 . 5.400 4.191 2.246 4.900 . 0 0 "[ . 1 . 2]" 1
709 1 4 MET HA 1 4 MET HB3 2.800 . 3.800 2.449 2.351 2.566 . 0 0 "[ . 1 . 2]" 1
710 1 23 ILE MD 1 23 ILE MG 2.800 . 3.800 2.100 1.847 3.239 . 0 0 "[ . 1 . 2]" 1
711 1 23 ILE QG 1 63 ILE MD 3.200 . 4.500 3.026 2.449 3.799 . 0 0 "[ . 1 . 2]" 1
712 1 68 TYR HA 1 68 TYR QE 2.600 . 6.000 4.599 4.433 4.716 . 0 0 "[ . 1 . 2]" 1
713 1 12 GLU HB2 1 69 ASP HB2 3.000 . 6.000 2.974 1.448 4.506 . 0 0 "[ . 1 . 2]" 1
714 1 4 MET ME 1 4 MET QG 3.000 . 4.200 2.425 2.195 2.559 . 0 0 "[ . 1 . 2]" 1
715 1 4 MET ME 1 34 GLU QG 2.900 . 4.000 2.373 1.732 3.334 0.068 4 0 "[ . 1 . 2]" 1
716 1 5 GLU HB2 1 49 ILE MD 3.000 . 4.100 3.113 2.419 3.872 . 0 0 "[ . 1 . 2]" 1
717 1 37 LYS QB 1 39 GLN HA 3.000 . 6.000 5.360 4.997 5.774 . 0 0 "[ . 1 . 2]" 1
718 1 35 GLN HB2 1 48 THR HB 3.000 . 4.200 2.335 1.794 3.363 0.006 16 0 "[ . 1 . 2]" 1
719 1 40 LEU HA 1 40 LEU MD2 3.000 . 4.100 1.964 1.873 2.311 0.027 17 0 "[ . 1 . 2]" 1
720 1 5 GLU HB3 1 49 ILE HG12 3.400 . 4.900 4.124 2.979 5.014 0.114 6 0 "[ . 1 . 2]" 1
721 1 23 ILE QG 1 63 ILE HG13 3.900 . 5.800 4.072 1.958 5.645 0.042 18 0 "[ . 1 . 2]" 1
722 1 8 THR MG 1 44 THR HA 3.500 . 5.100 4.234 3.855 4.733 . 0 0 "[ . 1 . 2]" 1
723 1 11 VAL QG 1 68 TYR HB2 3.000 . 4.100 3.498 2.934 4.158 0.058 7 0 "[ . 1 . 2]" 1
724 1 12 GLU HB2 1 69 ASP HB3 3.100 . 4.300 2.863 1.316 4.597 0.584 18 1 "[ . 1 . + 2]" 1
725 1 32 GLY HA2 1 50 ASP HB2 3.200 . 4.400 3.758 2.538 4.130 . 0 0 "[ . 1 . 2]" 1
726 1 33 VAL HB 1 49 ILE MG 3.900 . 5.800 4.324 3.997 4.752 . 0 0 "[ . 1 . 2]" 1
727 1 5 GLU HB2 1 49 ILE HG12 2.700 . 3.600 3.034 2.246 3.822 0.222 6 0 "[ . 1 . 2]" 1
728 1 34 GLU HA 1 34 GLU QG 3.200 . 4.500 2.972 2.487 3.189 . 0 0 "[ . 1 . 2]" 1
729 1 6 GLN HG2 1 48 THR MG 3.200 . 4.400 2.782 1.827 4.872 0.472 5 0 "[ . 1 . 2]" 1
730 1 5 GLU HB3 1 49 ILE MD 3.500 . 5.000 4.087 3.119 5.024 0.024 6 0 "[ . 1 . 2]" 1
731 1 58 ASP HA 1 62 VAL QG 3.100 . 4.300 3.779 3.312 4.320 0.020 14 0 "[ . 1 . 2]" 1
732 1 50 ASP HB2 1 53 VAL QG 3.700 . 5.400 3.795 2.807 4.329 . 0 0 "[ . 1 . 2]" 1
733 1 9 LEU HA 1 9 LEU QD 3.500 . 5.000 3.025 2.433 3.435 . 0 0 "[ . 1 . 2]" 1
734 1 59 ILE HA 1 62 VAL HB 3.000 . 4.100 3.382 2.868 4.133 0.033 14 0 "[ . 1 . 2]" 1
735 1 64 GLU HA 1 64 GLU HG3 3.000 . 4.100 3.246 3.103 3.418 . 0 0 "[ . 1 . 2]" 1
736 1 27 VAL HA 1 30 LEU MD1 3.400 . 4.800 3.314 2.387 4.910 0.110 13 0 "[ . 1 . 2]" 1
737 1 40 LEU HA 1 40 LEU HB2 3.000 . 4.100 2.487 2.322 2.604 . 0 0 "[ . 1 . 2]" 1
738 1 19 CYS HA 1 22 ALA MB 3.000 . 4.100 2.317 1.958 2.632 . 0 0 "[ . 1 . 2]" 1
739 1 59 ILE HA 1 59 ILE MD 3.100 . 4.300 2.602 2.012 3.867 . 0 0 "[ . 1 . 2]" 1
740 1 30 LEU MD1 1 59 ILE HA 3.100 . 4.300 2.637 2.148 3.624 . 0 0 "[ . 1 . 2]" 1
741 1 11 VAL QG 1 14 MET QB 3.700 . 5.400 4.038 3.049 4.737 . 0 0 "[ . 1 . 2]" 1
742 1 23 ILE HB 1 23 ILE MD 3.000 . 4.100 2.423 2.350 2.455 . 0 0 "[ . 1 . 2]" 1
743 1 26 SER HA 1 29 GLU QB 3.200 . 4.400 3.493 3.172 3.747 . 0 0 "[ . 1 . 2]" 1
744 1 32 GLY HA3 1 50 ASP HB2 3.600 . 5.200 4.490 2.741 4.926 . 0 0 "[ . 1 . 2]" 1
745 1 41 ALA MB 1 42 GLU HA 3.300 . 4.700 3.887 3.806 4.085 . 0 0 "[ . 1 . 2]" 1
746 1 38 VAL HA 1 45 VAL MG1 3.000 . 4.100 2.345 1.726 2.759 0.174 5 0 "[ . 1 . 2]" 1
747 1 64 GLU HG3 1 70 VAL QG 3.300 . 4.700 2.756 2.198 3.698 . 0 0 "[ . 1 . 2]" 1
748 1 59 ILE MD 1 59 ILE HG13 3.000 . 4.100 2.007 1.966 2.089 . 0 0 "[ . 1 . 2]" 1
749 1 30 LEU MD1 1 62 VAL HB 3.200 . 4.500 2.981 2.209 4.332 . 0 0 "[ . 1 . 2]" 1
750 1 66 GLN HA 1 66 GLN QG 3.300 . 4.600 2.904 2.583 3.112 . 0 0 "[ . 1 . 2]" 1
751 1 14 MET QB 1 14 MET ME 3.500 . 5.000 3.443 1.921 3.658 0.079 7 0 "[ . 1 . 2]" 1
752 1 63 ILE HA 1 63 ILE HG13 3.200 . 4.500 2.932 2.513 3.036 . 0 0 "[ . 1 . 2]" 1
753 1 32 GLY HA2 1 50 ASP HB3 3.000 . 4.100 3.061 2.727 3.923 . 0 0 "[ . 1 . 2]" 1
754 1 63 ILE HA 1 63 ILE HG12 3.000 . 4.100 2.526 2.401 3.622 . 0 0 "[ . 1 . 2]" 1
755 1 49 ILE HG12 1 49 ILE MG 3.600 . 5.200 2.305 2.234 2.349 . 0 0 "[ . 1 . 2]" 1
756 1 27 VAL HA 1 30 LEU HG 3.100 . 4.300 2.936 2.469 3.639 . 0 0 "[ . 1 . 2]" 1
757 1 10 GLN HA 1 10 GLN QB 3.100 . 4.300 2.240 2.172 2.385 . 0 0 "[ . 1 . 2]" 1
758 1 59 ILE HA 1 62 VAL QG 3.200 . 4.500 3.303 2.029 3.787 . 0 0 "[ . 1 . 2]" 1
759 1 64 GLU HA 1 64 GLU HG2 3.400 . 4.800 2.475 2.404 2.612 . 0 0 "[ . 1 . 2]" 1
760 1 40 LEU HB2 1 40 LEU MD1 3.200 . 4.500 2.077 1.966 2.098 . 0 0 "[ . 1 . 2]" 1
761 1 57 LYS HA 1 57 LYS QD 3.200 . 4.500 2.461 1.967 3.020 . 0 0 "[ . 1 . 2]" 1
762 1 56 LEU HB3 1 60 VAL MG2 3.500 . 5.000 4.014 2.503 4.972 . 0 0 "[ . 1 . 2]" 1
763 1 35 GLN QG 1 48 THR HB 3.300 . 4.700 2.851 1.795 4.267 0.105 16 0 "[ . 1 . 2]" 1
764 1 64 GLU HG2 1 68 TYR HA 3.800 . 5.600 5.481 5.182 5.673 0.073 10 0 "[ . 1 . 2]" 1
765 1 11 VAL QG 1 68 TYR HB3 3.500 . 5.000 2.434 1.948 3.110 0.052 14 0 "[ . 1 . 2]" 1
766 1 48 THR HA 1 49 ILE MG 3.400 . 4.900 3.804 3.605 4.006 . 0 0 "[ . 1 . 2]" 1
767 1 4 MET QG 1 48 THR MG 2.800 . 3.800 3.439 2.499 3.730 . 0 0 "[ . 1 . 2]" 1
768 1 56 LEU HA 1 56 LEU MD1 3.400 . 4.800 2.965 1.924 4.010 0.076 2 0 "[ . 1 . 2]" 1
769 1 50 ASP HB3 1 53 VAL HB 2.900 . 3.900 2.617 2.205 3.166 . 0 0 "[ . 1 . 2]" 1
770 1 47 VAL HA 1 47 VAL MG2 3.100 . 4.300 2.460 2.413 2.546 . 0 0 "[ . 1 . 2]" 1
771 1 23 ILE HA 1 23 ILE QG 3.100 . 4.300 2.450 2.293 2.917 . 0 0 "[ . 1 . 2]" 1
772 1 4 MET HB3 1 48 THR MG 3.000 . 4.100 2.744 2.168 3.662 . 0 0 "[ . 1 . 2]" 1
773 1 25 SER HA 1 25 SER QB 3.300 . 4.700 2.248 2.163 2.358 . 0 0 "[ . 1 . 2]" 1
774 1 63 ILE MG 1 68 TYR HB3 3.000 . 4.100 3.062 2.818 3.479 . 0 0 "[ . 1 . 2]" 1
775 1 28 LYS QE 1 28 LYS HG2 3.300 . 4.700 2.916 2.291 3.510 . 0 0 "[ . 1 . 2]" 1
776 1 56 LEU HB2 1 60 VAL MG2 3.600 . 5.200 4.279 3.135 5.018 . 0 0 "[ . 1 . 2]" 1
777 1 56 LEU HA 1 59 ILE MD 3.500 . 5.000 3.801 2.372 4.612 . 0 0 "[ . 1 . 2]" 1
778 1 7 LEU QD 1 56 LEU HA 3.300 . 4.700 4.021 2.948 4.681 . 0 0 "[ . 1 . 2]" 1
779 1 23 ILE MD 1 63 ILE HG13 4.300 . 6.000 4.242 3.155 5.158 . 0 0 "[ . 1 . 2]" 1
780 1 49 ILE MD 1 50 ASP HA 3.700 . 5.400 4.550 4.332 4.817 . 0 0 "[ . 1 . 2]" 1
781 1 4 MET ME 1 50 ASP HA 3.400 . 4.900 3.882 2.126 4.978 0.078 18 0 "[ . 1 . 2]" 1
782 1 60 VAL HA 1 63 ILE MD 3.100 . 4.300 2.787 2.139 3.973 . 0 0 "[ . 1 . 2]" 1
783 1 49 ILE MD 1 55 THR HA 3.300 . 4.600 3.383 2.991 3.976 . 0 0 "[ . 1 . 2]" 1
784 1 27 VAL HA 1 27 VAL MG1 3.200 . 4.500 2.378 2.300 3.212 . 0 0 "[ . 1 . 2]" 1
785 1 10 GLN HA 1 44 THR HB 3.500 . 5.000 3.674 3.386 4.072 . 0 0 "[ . 1 . 2]" 1
786 1 14 MET ME 1 40 LEU HA 3.200 . 4.500 2.550 1.873 3.495 0.027 14 0 "[ . 1 . 2]" 1
787 1 28 LYS QB 1 28 LYS QE 3.500 . 5.000 2.991 1.944 3.753 0.056 19 0 "[ . 1 . 2]" 1
788 1 5 GLU HG2 1 51 SER HB3 3.400 . 4.800 3.394 2.297 5.216 0.416 15 0 "[ . 1 . 2]" 1
789 1 31 ASN HB2 1 53 VAL QG 3.400 . 4.900 4.595 3.555 4.975 0.075 7 0 "[ . 1 . 2]" 1
790 1 57 LYS QE 1 57 LYS QG 3.500 . 5.000 2.316 2.110 2.802 . 0 0 "[ . 1 . 2]" 1
791 1 54 VAL HA 1 54 VAL MG2 3.300 . 4.700 2.323 2.277 2.370 . 0 0 "[ . 1 . 2]" 1
792 1 37 LYS QE 1 46 GLU HB3 3.300 . 4.700 3.468 2.147 5.658 0.958 6 2 "[ .+ -1 . 2]" 1
793 1 30 LEU MD2 1 58 ASP HB3 3.500 . 5.000 4.367 3.825 4.977 . 0 0 "[ . 1 . 2]" 1
794 1 46 GLU HA 1 46 GLU HG3 3.400 . 4.800 2.923 2.366 3.412 . 0 0 "[ . 1 . 2]" 1
795 1 54 VAL HA 1 55 THR MG 3.800 . 5.600 3.534 3.326 3.735 . 0 0 "[ . 1 . 2]" 1
796 1 64 GLU HB2 1 65 ASP HA 3.600 . 5.200 4.348 4.224 4.499 . 0 0 "[ . 1 . 2]" 1
797 1 59 ILE HA 1 59 ILE HG12 3.300 . 4.700 2.975 2.484 3.209 . 0 0 "[ . 1 . 2]" 1
798 1 24 GLU HA 1 24 GLU HG2 3.700 . 5.400 3.105 2.446 3.825 . 0 0 "[ . 1 . 2]" 1
799 1 8 THR HA 1 46 GLU HG2 3.600 . 5.200 3.854 2.323 5.175 . 0 0 "[ . 1 . 2]" 1
800 1 30 LEU QD 1 58 ASP HB2 3.800 . 5.600 3.511 2.845 4.156 . 0 0 "[ . 1 . 2]" 1
801 1 1 SER HA 1 53 VAL QG 3.000 . 6.000 5.384 3.805 5.990 . 0 0 "[ . 1 . 2]" 1
802 1 63 ILE HA 1 68 TYR HB2 4.200 . 6.000 4.449 4.135 4.735 . 0 0 "[ . 1 . 2]" 1
803 1 8 THR MG 1 9 LEU HA 3.500 . 5.000 4.111 3.770 4.372 . 0 0 "[ . 1 . 2]" 1
804 1 23 ILE QG 1 26 SER HB2 3.800 . 5.600 3.474 2.882 5.614 0.014 4 0 "[ . 1 . 2]" 1
805 1 30 LEU HA 1 30 LEU HG 3.800 . 5.600 3.426 3.255 3.710 . 0 0 "[ . 1 . 2]" 1
806 1 8 THR MG 1 46 GLU HA 3.600 . 5.200 3.211 2.715 3.721 . 0 0 "[ . 1 . 2]" 1
807 1 9 LEU HB2 1 9 LEU QD 3.300 . 4.600 2.064 2.028 2.088 . 0 0 "[ . 1 . 2]" 1
808 1 49 ILE HA 1 49 ILE MD 4.200 . 6.000 4.172 4.129 4.192 . 0 0 "[ . 1 . 2]" 1
809 1 30 LEU MD1 1 58 ASP HB3 3.300 . 4.700 2.744 2.260 3.576 . 0 0 "[ . 1 . 2]" 1
810 1 49 ILE HA 1 49 ILE HG12 3.600 . 5.200 3.821 3.756 3.878 . 0 0 "[ . 1 . 2]" 1
811 1 26 SER HA 1 29 GLU HG2 3.800 . 5.600 5.228 4.085 5.661 0.061 18 0 "[ . 1 . 2]" 1
812 1 5 GLU HB2 1 49 ILE MD 3.500 . 5.000 3.027 2.337 3.785 . 0 0 "[ . 1 . 2]" 1
813 1 20 VAL HB 1 21 ASN QB 3.900 . 5.800 4.204 3.617 5.854 0.054 19 0 "[ . 1 . 2]" 1
814 1 1 SER HA 1 52 SER HB2 3.100 . 6.000 5.662 4.638 6.726 0.726 15 2 "[ . 1 -+ 2]" 1
815 1 32 GLY HA2 1 54 VAL HB 4.700 . 6.000 4.364 3.907 4.970 . 0 0 "[ . 1 . 2]" 1
816 1 32 GLY HA3 1 54 VAL MG1 3.200 . 4.500 2.391 2.162 2.760 . 0 0 "[ . 1 . 2]" 1
817 1 27 VAL MG1 1 59 ILE HA 4.000 . 6.000 3.981 3.379 6.068 0.068 9 0 "[ . 1 . 2]" 1
818 1 52 SER HA 1 53 VAL QG 3.100 . 4.300 4.283 4.236 4.345 0.045 19 0 "[ . 1 . 2]" 1
819 1 5 GLU HB3 1 51 SER HB3 4.000 . 6.000 4.855 3.922 6.020 0.020 15 0 "[ . 1 . 2]" 1
820 1 59 ILE HA 1 59 ILE HG13 3.800 . 5.600 3.540 2.953 3.825 . 0 0 "[ . 1 . 2]" 1
821 1 61 ALA MB 1 62 VAL HA 3.800 . 5.600 3.812 3.734 3.882 . 0 0 "[ . 1 . 2]" 1
822 1 32 GLY HA3 1 50 ASP HB3 3.600 . 5.200 3.364 2.848 4.367 . 0 0 "[ . 1 . 2]" 1
823 1 5 GLU HG2 1 49 ILE MD 4.100 . 6.000 4.733 3.663 5.952 . 0 0 "[ . 1 . 2]" 1
824 1 11 VAL QG 1 68 TYR HA 4.000 . 6.000 4.099 3.803 4.782 . 0 0 "[ . 1 . 2]" 1
825 1 33 VAL HA 1 49 ILE HB 3.700 . 5.400 3.565 3.273 4.080 . 0 0 "[ . 1 . 2]" 1
826 1 20 VAL MG1 1 21 ASN QB 4.100 . 6.000 4.123 3.562 4.708 . 0 0 "[ . 1 . 2]" 1
827 1 9 LEU HB3 1 10 GLN QG 4.200 . 6.000 4.964 4.086 5.620 . 0 0 "[ . 1 . 2]" 1
828 1 55 THR HB 1 56 LEU MD1 3.900 . 5.800 4.486 3.113 5.572 . 0 0 "[ . 1 . 2]" 1
829 1 49 ILE MD 1 55 THR HB 3.800 . 5.600 5.057 4.673 5.540 . 0 0 "[ . 1 . 2]" 1
830 1 30 LEU HB3 1 30 LEU MD2 3.900 . 5.800 2.691 2.440 3.204 . 0 0 "[ . 1 . 2]" 1
831 1 5 GLU HB3 1 51 SER HB2 4.400 . 6.000 5.150 3.519 6.042 0.042 18 0 "[ . 1 . 2]" 1
832 1 4 MET ME 1 50 ASP HB2 3.500 . 5.000 3.641 2.232 5.043 0.043 15 0 "[ . 1 . 2]" 1
833 1 5 GLU HG2 1 51 SER HB2 4.400 . 6.000 3.894 2.415 5.920 . 0 0 "[ . 1 . 2]" 1
834 1 49 ILE HB 1 51 SER HB3 3.900 . 5.800 5.669 4.862 6.366 0.566 5 1 "[ + 1 . 2]" 1
835 1 37 LYS HA 1 37 LYS QD 4.300 . 6.000 4.096 3.484 4.432 . 0 0 "[ . 1 . 2]" 1
836 1 8 THR HA 1 46 GLU HB2 4.200 . 6.000 4.545 3.290 5.527 . 0 0 "[ . 1 . 2]" 1
837 1 37 LYS HA 1 37 LYS QE 4.400 . 6.000 4.548 4.080 5.678 . 0 0 "[ . 1 . 2]" 1
838 1 23 ILE HA 1 23 ILE MD 4.500 . 6.000 3.525 1.986 3.822 0.014 5 0 "[ . 1 . 2]" 1
839 1 24 GLU HA 1 36 VAL QG 3.600 . 5.200 2.276 1.944 2.757 0.056 13 0 "[ . 1 . 2]" 1
840 1 30 LEU MD2 1 58 ASP HB2 4.400 . 6.000 5.469 5.026 6.052 0.052 16 0 "[ . 1 . 2]" 1
841 1 25 SER HA 1 28 LYS QE 4.200 . 6.000 5.159 4.039 5.772 . 0 0 "[ . 1 . 2]" 1
842 1 4 MET ME 1 34 GLU HA 4.400 . 6.000 4.475 3.661 5.871 . 0 0 "[ . 1 . 2]" 1
843 1 3 ALA HA 1 50 ASP HA 4.000 . 6.000 5.026 4.669 5.755 . 0 0 "[ . 1 . 2]" 1
844 1 38 VAL HA 1 45 VAL HA 3.400 . 4.900 2.192 1.910 2.447 . 0 0 "[ . 1 . 2]" 1
845 1 50 ASP HA 1 51 SER HB2 4.900 . 6.000 5.160 4.444 5.774 . 0 0 "[ . 1 . 2]" 1
846 1 3 ALA MB 1 52 SER HB2 3.600 . 5.300 3.558 2.396 4.600 . 0 0 "[ . 1 . 2]" 1
847 1 28 LYS QE 1 35 GLN HA 3.600 . 5.200 3.985 2.646 4.985 . 0 0 "[ . 1 . 2]" 1
848 1 2 ASN HB2 1 53 VAL QG 3.300 . 4.600 4.558 3.332 5.596 0.996 3 2 "[ + . - 1 . 2]" 1
849 1 32 GLY HA3 1 54 VAL MG2 4.300 . 6.000 4.070 3.698 4.430 . 0 0 "[ . 1 . 2]" 1
850 1 18 HIS HB3 1 20 VAL H 3.300 . 6.000 5.244 4.612 5.816 . 0 0 "[ . 1 . 2]" 1
851 1 10 GLN QB 1 43 GLY QA 4.300 . 6.000 5.176 4.644 5.512 . 0 0 "[ . 1 . 2]" 1
852 1 28 LYS QB 1 33 VAL QG 4.200 . 6.000 3.523 3.267 3.750 . 0 0 "[ . 1 . 2]" 1
853 1 6 GLN HB2 1 48 THR MG 3.300 . 4.700 4.212 2.207 5.076 0.376 18 0 "[ . 1 . 2]" 1
854 1 49 ILE HG12 1 51 SER HA 3.900 . 5.800 5.231 4.973 5.511 . 0 0 "[ . 1 . 2]" 1
855 1 49 ILE HG12 1 51 SER HB3 3.800 . 5.600 5.281 4.397 6.208 0.608 1 1 "[+ . 1 . 2]" 1
856 1 30 LEU HB2 1 30 LEU MD1 4.200 . 6.000 2.644 2.389 3.190 . 0 0 "[ . 1 . 2]" 1
857 1 9 LEU HB3 1 9 LEU QD 3.900 . 5.800 2.072 2.045 2.091 . 0 0 "[ . 1 . 2]" 1
858 1 14 MET QB 1 16 CYS HA 3.300 . 6.000 4.947 3.152 5.884 . 0 0 "[ . 1 . 2]" 1
859 1 33 VAL QG 1 49 ILE HA 4.100 . 6.000 3.193 2.924 3.418 . 0 0 "[ . 1 . 2]" 1
860 1 10 GLN QB 1 44 THR HA 4.700 . 6.000 4.244 3.616 4.722 . 0 0 "[ . 1 . 2]" 1
861 1 20 VAL MG1 1 40 LEU HG 3.800 . 5.600 4.500 3.713 5.364 . 0 0 "[ . 1 . 2]" 1
862 1 59 ILE MG 1 60 VAL HA 3.900 . 5.800 3.441 3.299 3.657 . 0 0 "[ . 1 . 2]" 1
863 1 57 LYS HA 1 57 LYS QE 4.400 . 6.000 4.020 3.553 4.765 . 0 0 "[ . 1 . 2]" 1
864 1 14 MET QB 1 14 MET QG 3.800 . 5.600 2.050 1.994 2.087 0.006 8 0 "[ . 1 . 2]" 1
865 1 57 LYS QE 1 57 LYS HG2 3.900 . 5.800 2.717 2.283 3.529 . 0 0 "[ . 1 . 2]" 1
866 1 21 ASN HA 1 24 GLU HB2 3.500 . 5.000 3.362 2.765 4.687 . 0 0 "[ . 1 . 2]" 1
867 1 14 MET ME 1 20 VAL MG2 4.000 . 6.000 3.849 2.660 5.363 . 0 0 "[ . 1 . 2]" 1
868 1 14 MET ME 1 38 VAL QG 3.800 . 5.600 2.394 1.996 4.703 0.004 3 0 "[ . 1 . 2]" 1
869 1 8 THR MG 1 10 GLN QG 3.800 . 5.600 5.105 3.933 5.665 0.065 9 0 "[ . 1 . 2]" 1
870 1 35 GLN HA 1 48 THR HB 4.500 . 6.000 4.848 4.267 5.261 . 0 0 "[ . 1 . 2]" 1
871 1 30 LEU HA 1 30 LEU MD1 4.000 . 6.000 3.306 2.000 3.828 . 0 0 "[ . 1 . 2]" 1
872 1 11 VAL QG 1 68 TYR QE 3.400 . 4.800 3.568 3.072 4.090 . 0 0 "[ . 1 . 2]" 1
873 1 22 ALA MB 1 68 TYR QE 3.800 . 5.600 3.509 2.583 4.500 . 0 0 "[ . 1 . 2]" 1
874 1 53 VAL HB 1 54 VAL HB 4.400 . 6.000 3.846 3.709 4.072 . 0 0 "[ . 1 . 2]" 1
875 1 65 ASP HB3 1 66 GLN HA 4.000 . 6.000 4.419 4.307 4.544 . 0 0 "[ . 1 . 2]" 1
876 1 26 SER HA 1 29 GLU HG3 3.900 . 5.800 4.193 3.361 4.991 . 0 0 "[ . 1 . 2]" 1
877 1 36 VAL QG 1 37 LYS HA 3.900 . 5.800 3.583 3.246 4.046 . 0 0 "[ . 1 . 2]" 1
878 1 4 MET ME 1 48 THR HB 4.300 . 6.000 4.112 3.372 5.235 . 0 0 "[ . 1 . 2]" 1
879 1 57 LYS HA 1 57 LYS HG3 4.500 . 6.000 3.567 3.520 3.602 . 0 0 "[ . 1 . 2]" 1
880 1 54 VAL MG1 1 54 VAL MG2 3.800 . 5.600 2.087 2.078 2.095 . 0 0 "[ . 1 . 2]" 1
881 1 45 VAL HA 1 46 GLU HB3 4.900 . 6.000 5.294 4.534 5.752 . 0 0 "[ . 1 . 2]" 1
882 1 34 GLU QG 1 49 ILE HA 4.600 . 6.000 5.034 3.303 5.623 . 0 0 "[ . 1 . 2]" 1
883 1 5 GLU HB2 1 51 SER HB3 3.700 . 5.400 3.686 2.649 4.760 . 0 0 "[ . 1 . 2]" 1
884 1 25 SER QB 1 28 LYS QB 4.900 . 6.000 3.492 3.145 3.968 . 0 0 "[ . 1 . 2]" 1
885 1 47 VAL HA 1 48 THR MG 4.300 . 6.000 5.459 5.400 5.500 . 0 0 "[ . 1 . 2]" 1
886 1 63 ILE MG 1 68 TYR QE 3.500 . 5.100 3.939 3.561 4.606 . 0 0 "[ . 1 . 2]" 1
887 1 3 ALA MB 1 52 SER HB3 4.400 . 6.000 4.237 3.534 4.790 . 0 0 "[ . 1 . 2]" 1
888 1 3 ALA MB 1 50 ASP HA 4.300 . 6.000 4.240 3.733 5.077 . 0 0 "[ . 1 . 2]" 1
889 1 34 GLU HB2 1 48 THR HB 4.700 . 6.000 3.744 1.787 4.799 0.213 4 0 "[ . 1 . 2]" 1
890 1 63 ILE HA 1 66 GLN QG 4.000 . 6.000 2.820 2.532 3.906 . 0 0 "[ . 1 . 2]" 1
891 1 34 GLU HA 1 35 GLN QG 4.300 . 6.000 4.422 3.816 5.161 . 0 0 "[ . 1 . 2]" 1
892 1 30 LEU MD1 1 58 ASP HB2 4.600 . 6.000 3.557 2.861 4.255 . 0 0 "[ . 1 . 2]" 1
893 1 41 ALA MB 1 42 GLU HG3 4.500 . 6.000 3.955 2.780 6.008 0.008 15 0 "[ . 1 . 2]" 1
894 1 57 LYS HA 1 60 VAL HA 5.000 . 6.000 5.287 4.948 5.550 . 0 0 "[ . 1 . 2]" 1
895 1 5 GLU HB2 1 51 SER HB3 3.900 . 5.800 2.831 1.989 3.692 0.011 12 0 "[ . 1 . 2]" 1
896 1 30 LEU HG 1 54 VAL MG2 4.600 . 6.000 4.475 3.180 5.087 . 0 0 "[ . 1 . 2]" 1
897 1 9 LEU QD 1 60 VAL HA 4.400 . 6.000 3.441 2.644 4.172 . 0 0 "[ . 1 . 2]" 1
898 1 6 GLN HA 1 7 LEU QB 5.100 . 6.000 4.332 3.858 4.470 . 0 0 "[ . 1 . 2]" 1
899 1 30 LEU HB3 1 33 VAL QG 5.200 . 6.000 2.981 2.282 3.410 . 0 0 "[ . 1 . 2]" 1
900 1 32 GLY HA2 1 50 ASP HA 5.000 . 6.000 5.744 5.289 5.991 . 0 0 "[ . 1 . 2]" 1
901 1 63 ILE MG 1 68 TYR HA 5.300 . 6.000 4.669 4.484 5.031 . 0 0 "[ . 1 . 2]" 1
902 1 28 LYS HA 1 28 LYS HD2 4.600 . 6.000 3.727 2.085 4.679 . 0 0 "[ . 1 . 2]" 1
903 1 25 SER HA 1 28 LYS HG2 5.400 . 6.000 4.082 3.651 4.667 . 0 0 "[ . 1 . 2]" 1
904 1 61 ALA HA 1 64 GLU HB3 5.100 . 6.000 4.996 4.411 5.423 . 0 0 "[ . 1 . 2]" 1
905 1 23 ILE QG 1 45 VAL MG1 5.100 . 6.000 3.311 2.147 3.639 . 0 0 "[ . 1 . 2]" 1
906 1 23 ILE HA 1 63 ILE MG 4.900 . 6.000 4.228 3.215 4.898 . 0 0 "[ . 1 . 2]" 1
907 1 39 GLN HB3 1 42 GLU HA 5.500 . 6.000 5.028 4.386 5.552 . 0 0 "[ . 1 . 2]" 1
908 1 4 MET ME 1 49 ILE HA 4.700 . 6.000 4.288 3.071 5.259 . 0 0 "[ . 1 . 2]" 1
909 1 28 LYS HG2 1 29 GLU HA 4.700 . 6.000 4.697 3.335 6.299 0.299 1 0 "[ . 1 . 2]" 1
910 1 18 HIS HB2 1 20 VAL H 4.200 . 6.000 5.398 4.876 5.916 . 0 0 "[ . 1 . 2]" 1
911 1 4 MET ME 1 49 ILE MG 5.200 . 6.000 5.476 4.508 6.118 0.118 16 0 "[ . 1 . 2]" 1
912 1 49 ILE MG 1 50 ASP HB2 5.600 . 6.000 5.878 5.418 6.020 0.020 1 0 "[ . 1 . 2]" 1
913 1 8 THR MG 1 10 GLN HA 5.100 . 6.000 4.438 4.194 4.991 . 0 0 "[ . 1 . 2]" 1
914 1 56 LEU HA 1 60 VAL MG2 5.600 . 6.000 3.981 3.352 4.206 . 0 0 "[ . 1 . 2]" 1
915 1 14 MET ME 1 44 THR HA 4.300 . 6.000 4.145 3.631 5.455 . 0 0 "[ . 1 . 2]" 1
916 1 3 ALA HA 1 4 MET QG 6.000 . 6.000 3.970 3.738 4.291 . 0 0 "[ . 1 . 2]" 1
917 1 2 ASN HA 1 3 ALA MB 5.800 . 6.000 4.153 3.830 4.785 . 0 0 "[ . 1 . 2]" 1
918 1 51 SER HA 1 54 VAL MG2 6.000 . 6.000 5.239 4.968 5.668 . 0 0 "[ . 1 . 2]" 1
919 1 25 SER HA 1 28 LYS HD2 6.000 . 6.000 4.618 3.248 6.103 0.103 20 0 "[ . 1 . 2]" 1
920 1 32 GLY HA2 1 54 VAL MG2 6.000 . 6.000 5.491 5.140 5.844 . 0 0 "[ . 1 . 2]" 1
921 1 33 VAL HA 1 54 VAL MG2 6.000 . 6.000 5.263 4.910 5.484 . 0 0 "[ . 1 . 2]" 1
922 1 49 ILE HA 1 54 VAL MG2 6.000 . 6.000 5.883 5.340 6.109 0.109 7 0 "[ . 1 . 2]" 1
923 1 54 VAL MG2 1 58 ASP HB2 6.000 . 6.000 2.219 1.942 2.804 . 0 0 "[ . 1 . 2]" 1
924 1 13 GLY HA2 1 68 TYR QE 6.000 . 6.000 5.365 4.627 5.995 . 0 0 "[ . 1 . 2]" 1
925 1 13 GLY HA3 1 68 TYR QE 6.000 . 6.000 4.390 3.472 5.559 . 0 0 "[ . 1 . 2]" 1
926 1 14 MET HA 1 68 TYR QE 6.000 . 6.000 2.615 1.936 3.407 0.064 11 0 "[ . 1 . 2]" 1
927 1 14 MET QB 1 68 TYR QE 6.000 . 6.000 4.215 1.971 5.377 0.029 14 0 "[ . 1 . 2]" 1
928 1 14 MET HG2 1 23 ILE MD 6.000 . 6.000 5.191 3.697 5.995 . 0 0 "[ . 1 . 2]" 1
929 1 23 ILE QG 1 68 TYR QE 6.000 . 6.000 4.032 3.039 5.693 . 0 0 "[ . 1 . 2]" 1
930 1 14 MET HG2 1 23 ILE MG 6.000 . 6.000 4.971 3.409 6.283 0.283 8 0 "[ . 1 . 2]" 1
931 1 63 ILE MG 1 68 TYR QD 6.000 . 6.000 2.522 2.094 3.258 . 0 0 "[ . 1 . 2]" 1
932 1 4 MET ME 1 50 ASP H 6.000 . 6.000 4.307 3.028 5.510 . 0 0 "[ . 1 . 2]" 1
933 1 4 MET ME 1 49 ILE H 6.000 . 6.000 4.635 3.511 5.993 . 0 0 "[ . 1 . 2]" 1
934 1 8 THR HA 1 10 GLN H 2.300 . 6.000 4.893 4.708 4.987 . 0 0 "[ . 1 . 2]" 1
935 1 59 ILE HB 1 60 VAL H 2.100 . 2.600 2.129 2.002 2.255 . 0 0 "[ . 1 . 2]" 1
936 1 22 ALA MB 1 23 ILE H 2.200 . 2.800 2.147 2.063 2.304 . 0 0 "[ . 1 . 2]" 1
937 1 42 GLU H 1 43 GLY H 2.300 . 2.900 2.064 1.835 2.213 . 0 0 "[ . 1 . 2]" 1
938 1 70 VAL HA 1 71 GLN H 2.300 . 3.000 2.100 1.941 2.323 . 0 0 "[ . 1 . 2]" 1
939 1 33 VAL H 1 33 VAL QG 2.700 . 3.600 2.516 2.323 2.739 . 0 0 "[ . 1 . 2]" 1
940 1 29 GLU HB3 1 30 LEU H 2.300 . 2.900 2.438 2.080 2.603 . 0 0 "[ . 1 . 2]" 1
941 1 61 ALA H 1 62 VAL H 2.400 . 3.100 2.410 2.310 2.500 . 0 0 "[ . 1 . 2]" 1
942 1 25 SER H 1 26 SER H 2.400 . 3.100 2.359 2.338 2.390 . 0 0 "[ . 1 . 2]" 1
943 1 20 VAL MG1 1 38 VAL H 2.500 . 3.300 3.173 2.882 3.378 0.078 19 0 "[ . 1 . 2]" 1
944 1 4 MET HB3 1 5 GLU H 2.600 . 3.500 3.256 2.970 3.425 . 0 0 "[ . 1 . 2]" 1
945 1 12 GLU HA 1 13 GLY H 2.500 . 3.300 2.106 2.070 2.216 . 0 0 "[ . 1 . 2]" 1
946 1 37 LYS H 1 37 LYS QB 2.500 . 3.300 2.546 2.295 3.062 . 0 0 "[ . 1 . 2]" 1
947 1 64 GLU HA 1 68 TYR H 2.400 . 3.100 2.263 2.066 2.501 . 0 0 "[ . 1 . 2]" 1
948 1 45 VAL H 1 45 VAL MG2 2.700 . 3.600 2.594 2.194 2.744 . 0 0 "[ . 1 . 2]" 1
949 1 28 LYS HB3 1 30 LEU H 2.700 . 6.000 2.734 2.185 3.861 . 0 0 "[ . 1 . 2]" 1
950 1 56 LEU HA 1 57 LYS H 2.600 . 3.400 2.703 2.661 2.724 . 0 0 "[ . 1 . 2]" 1
951 1 19 CYS QB 1 20 VAL H 2.600 . 3.400 2.555 2.246 2.738 . 0 0 "[ . 1 . 2]" 1
952 1 5 GLU HB3 1 6 GLN H 2.800 . 3.800 2.911 2.462 3.293 . 0 0 "[ . 1 . 2]" 1
953 1 49 ILE MG 1 50 ASP H 2.900 . 3.900 3.081 2.978 3.268 . 0 0 "[ . 1 . 2]" 1
954 1 36 VAL QG 1 37 LYS H 2.700 . 3.600 2.833 2.610 3.130 . 0 0 "[ . 1 . 2]" 1
955 1 22 ALA H 1 23 ILE H 2.600 . 3.400 2.413 2.307 2.493 . 0 0 "[ . 1 . 2]" 1
956 1 44 THR MG 1 45 VAL H 2.900 . 4.000 3.416 3.227 3.593 . 0 0 "[ . 1 . 2]" 1
957 1 25 SER QB 1 26 SER H 2.600 . 3.500 2.463 2.349 3.185 . 0 0 "[ . 1 . 2]" 1
958 1 24 GLU HB2 1 38 VAL H 2.800 . 3.800 3.856 3.795 3.911 0.111 4 0 "[ . 1 . 2]" 1
959 1 45 VAL H 1 45 VAL HB 2.600 . 3.400 2.346 2.274 2.467 . 0 0 "[ . 1 . 2]" 1
960 1 23 ILE H 1 24 GLU H 2.600 . 3.400 2.410 2.312 2.470 . 0 0 "[ . 1 . 2]" 1
961 1 38 VAL QG 1 39 GLN H 2.900 . 4.000 2.568 2.357 2.746 . 0 0 "[ . 1 . 2]" 1
962 1 38 VAL HB 1 39 GLN H 2.800 . 3.800 3.134 2.282 3.813 0.013 17 0 "[ . 1 . 2]" 1
963 1 35 GLN HB3 1 36 VAL H 2.800 . 3.800 2.810 2.506 3.393 . 0 0 "[ . 1 . 2]" 1
964 1 51 SER H 1 51 SER HB3 2.600 . 3.500 2.429 2.265 2.752 . 0 0 "[ . 1 . 2]" 1
965 1 54 VAL MG2 1 59 ILE H 2.900 . 3.900 2.780 2.606 3.044 . 0 0 "[ . 1 . 2]" 1
966 1 25 SER HA 1 29 GLU H 2.700 . 3.600 2.622 2.574 2.653 . 0 0 "[ . 1 . 2]" 1
967 1 27 VAL QG 1 28 LYS H 2.900 . 4.000 2.486 1.916 2.834 . 0 0 "[ . 1 . 2]" 1
968 1 26 SER HB3 1 27 VAL H 2.700 . 3.600 2.747 2.396 2.832 . 0 0 "[ . 1 . 2]" 1
969 1 18 HIS HB2 1 19 CYS H 2.800 . 3.800 2.437 2.217 2.601 . 0 0 "[ . 1 . 2]" 1
970 1 34 GLU HB2 1 48 THR H 3.000 . 4.100 3.890 3.515 4.082 . 0 0 "[ . 1 . 2]" 1
971 1 35 GLN H 1 35 GLN HA 2.700 . 3.600 2.825 2.802 2.854 . 0 0 "[ . 1 . 2]" 1
972 1 19 CYS H 1 20 VAL H 2.800 . 3.700 2.425 2.334 2.555 . 0 0 "[ . 1 . 2]" 1
973 1 10 GLN HA 1 45 VAL H 2.800 . 3.800 2.754 2.657 2.802 . 0 0 "[ . 1 . 2]" 1
974 1 60 VAL MG1 1 61 ALA H 3.200 . 4.500 3.176 2.873 3.362 . 0 0 "[ . 1 . 2]" 1
975 1 4 MET HB2 1 5 GLU H 2.800 . 3.800 2.447 2.184 2.622 . 0 0 "[ . 1 . 2]" 1
976 1 33 VAL QG 1 35 GLN H 2.800 . 3.800 2.992 2.702 3.206 . 0 0 "[ . 1 . 2]" 1
977 1 57 LYS HB2 1 61 ALA H 3.000 . 6.000 4.849 4.722 4.986 . 0 0 "[ . 1 . 2]" 1
978 1 37 LYS H 1 45 VAL MG1 3.300 . 4.700 2.692 2.485 3.353 . 0 0 "[ . 1 . 2]" 1
979 1 45 VAL MG2 1 48 THR H 3.000 . 4.100 3.916 3.669 4.108 0.008 8 0 "[ . 1 . 2]" 1
980 1 5 GLU HG2 1 6 GLN H 3.300 . 4.600 3.735 2.644 4.181 . 0 0 "[ . 1 . 2]" 1
981 1 45 VAL H 1 45 VAL MG1 3.000 . 4.100 3.488 3.407 3.539 . 0 0 "[ . 1 . 2]" 1
982 1 39 GLN HB2 1 42 GLU H 3.200 . 4.500 2.945 2.339 3.477 . 0 0 "[ . 1 . 2]" 1
983 1 55 THR MG 1 58 ASP H 3.300 . 4.600 4.037 3.606 4.487 . 0 0 "[ . 1 . 2]" 1
984 1 10 GLN HG3 1 71 GLN H 3.000 . 4.200 2.972 2.130 3.933 . 0 0 "[ . 1 . 2]" 1
985 1 12 GLU H 1 12 GLU HG2 3.000 . 4.100 3.340 2.523 4.435 0.335 13 0 "[ . 1 . 2]" 1
986 1 30 LEU MD1 1 58 ASP H 3.200 . 4.500 4.304 3.933 4.527 0.027 14 0 "[ . 1 . 2]" 1
987 1 20 VAL MG1 1 24 GLU H 3.200 . 4.400 3.723 3.525 4.053 . 0 0 "[ . 1 . 2]" 1
988 1 62 VAL QG 1 63 ILE H 3.600 . 5.300 2.877 1.995 3.067 . 0 0 "[ . 1 . 2]" 1
989 1 12 GLU HA 1 14 MET H 3.300 . 4.600 3.016 2.111 3.453 . 0 0 "[ . 1 . 2]" 1
990 1 57 LYS HA 1 61 ALA H 3.200 . 4.500 3.656 3.303 3.799 . 0 0 "[ . 1 . 2]" 1
991 1 9 LEU HB2 1 45 VAL H 3.200 . 6.000 3.790 3.106 4.726 . 0 0 "[ . 1 . 2]" 1
992 1 9 LEU QD 1 10 GLN H 3.400 . 4.900 3.780 3.523 4.021 . 0 0 "[ . 1 . 2]" 1
993 1 56 LEU HA 1 60 VAL H 3.100 . 4.300 3.249 3.073 3.330 . 0 0 "[ . 1 . 2]" 1
994 1 7 LEU QB 1 47 VAL H 3.100 . 4.300 3.747 3.408 4.076 . 0 0 "[ . 1 . 2]" 1
995 1 4 MET ME 1 49 ILE H 3.300 . 4.700 3.804 3.348 4.183 . 0 0 "[ . 1 . 2]" 1
996 1 41 ALA HA 1 42 GLU H 3.300 . 4.600 3.341 3.200 3.427 . 0 0 "[ . 1 . 2]" 1
997 1 46 GLU HB3 1 47 VAL H 3.100 . 4.300 2.661 2.614 2.713 . 0 0 "[ . 1 . 2]" 1
998 1 3 ALA MB 1 51 SER H 3.100 . 4.300 3.194 2.656 3.844 . 0 0 "[ . 1 . 2]" 1
999 1 39 GLN HG3 1 44 THR H 3.300 . 4.600 3.002 2.461 4.241 . 0 0 "[ . 1 . 2]" 1
1000 1 33 VAL HB 1 34 GLU H 3.500 . 5.000 3.388 2.306 3.697 . 0 0 "[ . 1 . 2]" 1
1001 1 19 CYS HA 1 22 ALA H 3.200 . 4.500 2.670 2.591 2.719 . 0 0 "[ . 1 . 2]" 1
1002 1 30 LEU HB2 1 33 VAL H 3.500 . 5.000 4.391 3.834 4.846 . 0 0 "[ . 1 . 2]" 1
1003 1 32 GLY HA3 1 54 VAL H 3.200 . 4.500 2.913 2.767 3.018 . 0 0 "[ . 1 . 2]" 1
1004 1 39 GLN HG2 1 46 GLU H 3.500 . 5.000 3.644 2.996 4.411 . 0 0 "[ . 1 . 2]" 1
1005 1 54 VAL MG2 1 58 ASP H 3.400 . 4.900 3.850 3.718 4.147 . 0 0 "[ . 1 . 2]" 1
1006 1 59 ILE MG 1 63 ILE H 3.700 . 5.400 3.475 3.309 3.555 . 0 0 "[ . 1 . 2]" 1
1007 1 49 ILE MD 1 51 SER H 3.200 . 4.500 3.314 3.095 3.582 . 0 0 "[ . 1 . 2]" 1
1008 1 56 LEU HA 1 58 ASP H 3.300 . 4.600 3.398 3.361 3.448 . 0 0 "[ . 1 . 2]" 1
1009 1 59 ILE HB 1 62 VAL H 3.600 . 5.200 4.780 4.660 4.860 . 0 0 "[ . 1 . 2]" 1
1010 1 19 CYS QB 1 20 VAL H 3.500 . 5.000 3.069 2.381 3.630 . 0 0 "[ . 1 . 2]" 1
1011 1 30 LEU H 1 54 VAL MG1 3.000 . 6.000 4.590 4.357 4.785 . 0 0 "[ . 1 . 2]" 1
1012 1 24 GLU HB2 1 26 SER H 3.700 . 5.400 4.776 4.596 5.114 . 0 0 "[ . 1 . 2]" 1
1013 1 56 LEU HA 1 59 ILE H 3.300 . 4.700 3.373 3.207 3.521 . 0 0 "[ . 1 . 2]" 1
1014 1 37 LYS H 1 37 LYS QB 3.600 . 5.200 2.518 2.233 3.004 . 0 0 "[ . 1 . 2]" 1
1015 1 51 SER H 1 54 VAL H 3.700 . 5.400 4.068 3.864 4.224 . 0 0 "[ . 1 . 2]" 1
1016 1 59 ILE HA 1 62 VAL H 3.400 . 4.900 3.695 3.361 3.961 . 0 0 "[ . 1 . 2]" 1
1017 1 64 GLU HA 1 70 VAL H 3.500 . 5.000 4.296 4.085 4.593 . 0 0 "[ . 1 . 2]" 1
1018 1 58 ASP H 1 59 ILE HB 3.700 . 5.400 4.514 4.279 4.651 . 0 0 "[ . 1 . 2]" 1
1019 1 60 VAL MG1 1 65 ASP H 3.700 . 5.400 4.213 4.128 4.416 . 0 0 "[ . 1 . 2]" 1
1020 1 18 HIS HA 1 22 ALA H 3.500 . 5.000 3.368 3.315 3.404 . 0 0 "[ . 1 . 2]" 1
1021 1 10 GLN H 1 11 VAL H 3.900 . 5.800 4.048 3.827 4.226 . 0 0 "[ . 1 . 2]" 1
1022 1 40 LEU MD2 1 44 THR H 3.200 . 4.500 4.150 3.861 4.421 . 0 0 "[ . 1 . 2]" 1
1023 1 26 SER HB3 1 29 GLU H 3.600 . 5.200 4.366 4.249 4.464 . 0 0 "[ . 1 . 2]" 1
1024 1 5 GLU HG2 1 49 ILE H 3.900 . 5.800 4.710 4.063 5.934 0.134 11 0 "[ . 1 . 2]" 1
1025 1 64 GLU HG2 1 68 TYR H 3.800 . 5.600 3.620 2.937 4.030 . 0 0 "[ . 1 . 2]" 1
1026 1 19 CYS HA 1 23 ILE H 3.700 . 5.400 3.265 3.146 3.364 . 0 0 "[ . 1 . 2]" 1
1027 1 32 GLY HA3 1 50 ASP H 3.600 . 5.200 3.649 3.284 3.899 . 0 0 "[ . 1 . 2]" 1
1028 1 51 SER HB2 1 52 SER H 3.900 . 5.800 3.995 3.511 4.146 . 0 0 "[ . 1 . 2]" 1
1029 1 9 LEU QD 1 47 VAL H 3.700 . 5.400 3.203 2.848 3.586 . 0 0 "[ . 1 . 2]" 1
1030 1 15 SER HB3 1 20 VAL H 3.900 . 5.800 5.713 5.098 6.202 0.402 6 0 "[ . 1 . 2]" 1
1031 1 27 VAL H 1 28 LYS QB 4.100 . 6.000 4.069 3.967 4.176 . 0 0 "[ . 1 . 2]" 1
1032 1 6 GLN HB3 1 7 LEU H 3.800 . 5.600 3.316 2.898 3.608 . 0 0 "[ . 1 . 2]" 1
1033 1 22 ALA MB 1 25 SER H 3.900 . 5.800 4.425 4.334 4.557 . 0 0 "[ . 1 . 2]" 1
1034 1 25 SER H 1 29 GLU H 3.900 . 5.800 4.000 3.918 4.057 . 0 0 "[ . 1 . 2]" 1
1035 1 27 VAL MG1 1 37 LYS H 4.000 . 6.000 2.939 2.660 3.310 . 0 0 "[ . 1 . 2]" 1
1036 1 7 LEU H 1 8 THR H 4.000 . 6.000 3.823 3.723 3.935 . 0 0 "[ . 1 . 2]" 1
1037 1 38 VAL H 1 38 VAL QG 3.800 . 5.600 1.970 1.800 2.224 0.200 14 0 "[ . 1 . 2]" 1
1038 1 27 VAL QG 1 29 GLU H 3.600 . 5.200 3.673 3.317 3.807 . 0 0 "[ . 1 . 2]" 1
1039 1 59 ILE HG13 1 61 ALA H 4.200 . 6.000 4.123 3.931 4.232 . 0 0 "[ . 1 . 2]" 1
1040 1 55 THR H 1 59 ILE H 3.900 . 5.800 3.957 3.781 4.113 . 0 0 "[ . 1 . 2]" 1
1041 1 23 ILE MG 1 27 VAL H 3.800 . 5.600 4.085 3.008 4.430 . 0 0 "[ . 1 . 2]" 1
1042 1 24 GLU HB3 1 26 SER H 4.100 . 6.000 4.383 4.261 4.790 . 0 0 "[ . 1 . 2]" 1
1043 1 10 GLN H 1 44 THR MG 3.900 . 5.800 3.269 2.434 3.911 . 0 0 "[ . 1 . 2]" 1
1044 1 19 CYS QB 1 23 ILE H 3.900 . 5.800 3.660 3.469 3.889 . 0 0 "[ . 1 . 2]" 1
1045 1 12 GLU HG2 1 13 GLY H 4.000 . 6.000 3.800 3.236 4.503 . 0 0 "[ . 1 . 2]" 1
1046 1 6 GLN H 1 7 LEU QB 3.900 . 5.800 4.695 4.093 5.116 . 0 0 "[ . 1 . 2]" 1
1047 1 22 ALA MB 1 26 SER H 4.100 . 6.000 3.998 3.908 4.138 . 0 0 "[ . 1 . 2]" 1
1048 1 9 LEU QD 1 36 VAL H 4.000 . 6.000 4.254 4.014 4.448 . 0 0 "[ . 1 . 2]" 1
1049 1 23 ILE H 1 45 VAL MG2 3.900 . 5.800 5.286 4.850 5.872 0.072 17 0 "[ . 1 . 2]" 1
1050 1 16 CYS HA 1 17 GLY H 3.800 . 5.600 2.261 2.041 2.533 . 0 0 "[ . 1 . 2]" 1
1051 1 11 VAL HB 1 14 MET H 4.000 . 6.000 5.338 4.363 6.066 0.066 7 0 "[ . 1 . 2]" 1
1052 1 14 MET ME 1 39 GLN H 3.900 . 5.800 3.802 3.335 4.787 . 0 0 "[ . 1 . 2]" 1
1053 1 5 GLU HG3 1 52 SER H 4.200 . 6.000 4.341 4.161 4.530 . 0 0 "[ . 1 . 2]" 1
1054 1 49 ILE HB 1 55 THR H 4.200 . 6.000 5.833 5.677 6.081 0.081 5 0 "[ . 1 . 2]" 1
1055 1 11 VAL QG 1 43 GLY H 4.100 . 6.000 4.962 4.091 5.355 . 0 0 "[ . 1 . 2]" 1
1056 1 63 ILE H 1 64 GLU HG3 4.000 . 6.000 4.223 4.111 4.391 . 0 0 "[ . 1 . 2]" 1
1057 1 20 VAL MG1 1 42 GLU H 3.900 . 5.800 4.911 4.488 5.107 . 0 0 "[ . 1 . 2]" 1
1058 1 17 GLY H 1 20 VAL H 4.100 . 6.000 3.825 3.484 4.018 . 0 0 "[ . 1 . 2]" 1
1059 1 58 ASP HB3 1 62 VAL H 4.000 . 6.000 4.582 4.440 4.785 . 0 0 "[ . 1 . 2]" 1
1060 1 9 LEU QD 1 71 GLN H 4.300 . 6.000 4.366 3.116 5.140 . 0 0 "[ . 1 . 2]" 1
1061 1 57 LYS H 1 57 LYS HE2 4.500 . 6.000 4.658 4.283 4.916 . 0 0 "[ . 1 . 2]" 1
1062 1 38 VAL QG 1 43 GLY H 3.900 . 5.800 4.147 3.847 4.356 . 0 0 "[ . 1 . 2]" 1
1063 1 11 VAL H 1 12 GLU H 4.500 . 6.000 3.788 3.721 3.919 . 0 0 "[ . 1 . 2]" 1
1064 1 25 SER H 1 27 VAL QG 4.200 . 6.000 4.203 3.971 4.419 . 0 0 "[ . 1 . 2]" 1
1065 1 14 MET QB 1 20 VAL H 4.400 . 6.000 5.407 3.960 6.106 0.106 3 0 "[ . 1 . 2]" 1
1066 1 22 ALA MB 1 66 GLN HE21 4.200 . 6.000 4.827 3.116 6.218 0.218 3 0 "[ . 1 . 2]" 1
1067 1 19 CYS HA 1 21 ASN H 4.700 . 6.000 4.341 4.173 4.551 . 0 0 "[ . 1 . 2]" 1
1068 1 23 ILE MG 1 38 VAL H 4.600 . 6.000 3.437 2.987 3.912 . 0 0 "[ . 1 . 2]" 1
1069 1 24 GLU H 1 25 SER QB 4.500 . 6.000 4.537 4.343 5.209 . 0 0 "[ . 1 . 2]" 1
1070 1 64 GLU HG3 1 67 GLY H 4.900 . 6.000 4.762 4.669 4.872 . 0 0 "[ . 1 . 2]" 1
1071 1 8 THR HB 1 47 VAL H 4.800 . 6.000 5.669 5.461 5.855 . 0 0 "[ . 1 . 2]" 1
1072 1 19 CYS QB 1 23 ILE H 5.000 . 6.000 4.133 3.906 4.593 . 0 0 "[ . 1 . 2]" 1
1073 1 11 VAL QG 1 44 THR H 4.500 . 6.000 3.821 3.267 4.110 . 0 0 "[ . 1 . 2]" 1
1074 1 37 LYS H 1 39 GLN HA 5.100 . 6.000 5.967 5.607 6.088 0.088 12 0 "[ . 1 . 2]" 1
1075 1 28 LYS HD2 1 33 VAL H 5.200 . 6.000 5.997 4.660 6.738 0.738 8 3 "[ . + -* . 2]" 1
1076 1 22 ALA HA 1 24 GLU H 5.200 . 6.000 4.327 4.248 4.391 . 0 0 "[ . 1 . 2]" 1
1077 1 64 GLU HG2 1 65 ASP H 6.000 . 6.000 3.829 3.661 4.283 . 0 0 "[ . 1 . 2]" 1
1078 1 65 ASP H 1 68 TYR HB2 6.000 . 6.000 5.569 5.131 5.904 . 0 0 "[ . 1 . 2]" 1
1079 1 38 VAL QG 1 45 VAL MG2 1.700 . 2.200 1.673 1.458 2.058 . 0 0 "[ . 1 . 2]" 1
1080 1 33 VAL QG 1 49 ILE HA 2.000 . 6.000 2.873 2.731 3.003 . 0 0 "[ . 1 . 2]" 1
1081 1 4 MET HB2 1 48 THR HA 2.100 . 6.000 3.457 2.789 4.506 . 0 0 "[ . 1 . 2]" 1
1082 1 27 VAL MG1 1 33 VAL MG2 1.800 . 2.200 1.864 1.735 2.025 . 0 0 "[ . 1 . 2]" 1
1083 1 28 LYS HA 1 33 VAL QG 1.800 . 2.200 1.801 1.631 2.128 . 0 0 "[ . 1 . 2]" 1
1084 1 4 MET ME 1 34 GLU QG 1.800 . 2.200 1.934 1.637 2.110 . 0 0 "[ . 1 . 2]" 1
1085 1 4 MET HA 1 4 MET HB2 1.900 . 2.400 2.392 2.147 2.638 0.238 18 0 "[ . 1 . 2]" 1
1086 1 59 ILE MG 1 63 ILE MD 1.800 . 2.200 1.765 1.667 2.130 . 0 0 "[ . 1 . 2]" 1
1087 1 8 THR HB 1 8 THR MG 2.000 . 2.500 1.903 1.900 1.905 . 0 0 "[ . 1 . 2]" 1
1088 1 53 VAL HB 1 53 VAL QG 2.000 . 2.500 1.772 1.770 1.775 . 0 0 "[ . 1 . 2]" 1
1089 1 10 GLN QB 1 10 GLN QG 2.100 . 2.600 1.832 1.781 1.855 . 0 0 "[ . 1 . 2]" 1
1090 1 5 GLU HA 1 5 GLU HB2 2.100 . 2.700 2.145 2.045 2.257 . 0 0 "[ . 1 . 2]" 1
1091 1 54 VAL MG1 1 54 VAL MG2 2.100 . 2.600 1.984 1.909 2.041 . 0 0 "[ . 1 . 2]" 1
1092 1 4 MET ME 1 34 GLU QG 2.400 . 3.100 2.002 1.656 2.254 0.044 4 0 "[ . 1 . 2]" 1
1093 1 9 LEU QD 1 10 GLN HA 2.500 . 6.000 4.480 3.474 4.968 . 0 0 "[ . 1 . 2]" 1
1094 1 33 VAL HB 1 36 VAL QG 2.000 . 6.000 3.641 3.441 3.888 . 0 0 "[ . 1 . 2]" 1
1095 1 9 LEU QD 1 27 VAL MG1 2.300 . 2.900 2.076 1.736 2.679 . 0 0 "[ . 1 . 2]" 1
1096 1 4 MET HB2 1 48 THR HB 2.500 . 3.300 2.558 1.790 3.674 0.374 13 0 "[ . 1 . 2]" 1
1097 1 4 MET HB2 1 48 THR MG 2.400 . 3.100 2.148 1.766 3.100 0.000 19 0 "[ . 1 . 2]" 1
1098 1 7 LEU HA 1 9 LEU QD 2.000 . 6.000 4.352 3.916 5.094 . 0 0 "[ . 1 . 2]" 1
1099 1 54 VAL HA 1 54 VAL MG1 2.600 . 3.500 2.984 2.913 3.040 . 0 0 "[ . 1 . 2]" 1
1100 1 30 LEU MD1 1 59 ILE HG13 2.600 . 3.500 2.105 1.589 2.549 0.111 14 0 "[ . 1 . 2]" 1
1101 1 6 GLN HA 1 48 THR MG 2.300 . 3.000 2.261 2.186 2.314 . 0 0 "[ . 1 . 2]" 1
1102 1 9 LEU QD 1 70 VAL QG 2.400 . 3.100 2.059 1.778 2.317 . 0 0 "[ . 1 . 2]" 1
1103 1 4 MET HA 1 4 MET ME 2.400 . 3.100 2.305 1.615 2.552 0.085 17 0 "[ . 1 . 2]" 1
1104 1 36 VAL HA 1 36 VAL QG 2.300 . 3.000 2.159 1.867 2.314 . 0 0 "[ . 1 . 2]" 1
1105 1 36 VAL HA 1 45 VAL MG2 2.500 . 3.300 2.825 2.558 3.073 . 0 0 "[ . 1 . 2]" 1
1106 1 28 LYS HB2 1 36 VAL QG 2.300 . 3.000 1.782 1.659 1.880 0.341 16 0 "[ . 1 . 2]" 1
1107 1 5 GLU HA 1 5 GLU HG2 2.500 . 3.300 2.578 2.285 2.876 . 0 0 "[ . 1 . 2]" 1
1108 1 27 VAL MG1 1 45 VAL MG1 2.200 . 6.000 3.126 2.593 3.378 . 0 0 "[ . 1 . 2]" 1
1109 1 12 GLU HA 1 12 GLU HG2 2.500 . 3.300 2.262 2.083 2.563 . 0 0 "[ . 1 . 2]" 1
1110 1 20 VAL MG1 1 23 ILE MG 2.500 . 3.300 1.858 1.548 2.125 0.152 6 0 "[ . 1 . 2]" 1
1111 1 33 VAL QG 1 48 THR MG 2.400 . 3.100 2.381 2.151 2.575 . 0 0 "[ . 1 . 2]" 1
1112 1 11 VAL QG 1 23 ILE HB 2.800 . 3.800 3.023 2.308 3.463 . 0 0 "[ . 1 . 2]" 1
1113 1 49 ILE HB 1 49 ILE HG13 2.600 . 3.400 2.363 2.101 2.511 . 0 0 "[ . 1 . 2]" 1
1114 1 4 MET HA 1 48 THR MG 2.600 . 3.500 3.079 2.821 3.336 . 0 0 "[ . 1 . 2]" 1
1115 1 12 GLU HA 1 12 GLU HB3 2.400 . 3.100 2.233 2.137 2.388 . 0 0 "[ . 1 . 2]" 1
1116 1 35 GLN HA 1 36 VAL QG 2.700 . 3.600 3.034 2.903 3.186 . 0 0 "[ . 1 . 2]" 1
1117 1 49 ILE MG 1 56 LEU HA 2.700 . 3.600 3.587 3.423 3.732 0.132 5 0 "[ . 1 . 2]" 1
1118 1 5 GLU HA 1 5 GLU HB3 2.500 . 3.300 2.526 2.434 2.753 . 0 0 "[ . 1 . 2]" 1
1119 1 11 VAL HB 1 23 ILE MG 2.600 . 3.400 3.223 2.829 3.485 0.085 7 0 "[ . 1 . 2]" 1
1120 1 23 ILE MD 1 23 ILE MG 2.400 . 3.100 2.055 1.835 3.144 0.044 5 0 "[ . 1 . 2]" 1
1121 1 28 LYS QE 1 28 LYS HG2 2.700 . 3.600 2.197 1.983 2.697 . 0 0 "[ . 1 . 2]" 1
1122 1 27 VAL QG 1 59 ILE HA 2.800 . 3.800 2.327 1.935 2.758 . 0 0 "[ . 1 . 2]" 1
1123 1 60 VAL MG2 1 64 GLU HG2 2.600 . 3.400 2.362 1.885 3.272 . 0 0 "[ . 1 . 2]" 1
1124 1 9 LEU QD 1 27 VAL HB 2.800 . 3.800 3.280 2.945 3.631 . 0 0 "[ . 1 . 2]" 1
1125 1 23 ILE MD 1 38 VAL QG 2.600 . 3.400 1.780 1.710 1.874 0.090 2 0 "[ . 1 . 2]" 1
1126 1 19 CYS QB 1 38 VAL QG 2.800 . 3.800 2.827 2.308 3.348 . 0 0 "[ . 1 . 2]" 1
1127 1 14 MET QB 1 14 MET ME 2.900 . 4.000 3.376 1.921 3.596 . 0 0 "[ . 1 . 2]" 1
1128 1 6 GLN HG2 1 48 THR MG 2.700 . 3.600 2.207 1.758 3.506 0.042 13 0 "[ . 1 . 2]" 1
1129 1 4 MET HB2 1 48 THR HB 3.100 . 4.300 4.187 3.764 5.016 0.716 13 2 "[ -. 1 + . 2]" 1
1130 1 36 VAL HB 1 47 VAL HA 2.700 . 3.600 2.940 2.765 3.012 . 0 0 "[ . 1 . 2]" 1
1131 1 5 GLU HB2 1 49 ILE HG13 2.800 . 3.800 2.601 1.926 3.204 . 0 0 "[ . 1 . 2]" 1
1132 1 10 GLN HA 1 70 VAL QG 3.000 . 4.100 3.929 3.697 4.047 . 0 0 "[ . 1 . 2]" 1
1133 1 56 LEU MD1 1 57 LYS HD3 2.900 . 4.000 3.875 3.176 4.483 0.483 9 0 "[ . 1 . 2]" 1
1134 1 8 THR MG 1 46 GLU HB3 3.000 . 4.100 3.335 2.799 3.834 . 0 0 "[ . 1 . 2]" 1
1135 1 54 VAL MG1 1 58 ASP HB2 3.100 . 4.300 3.533 2.764 3.911 . 0 0 "[ . 1 . 2]" 1
1136 1 10 GLN QG 1 70 VAL QG 2.700 . 3.600 2.739 2.480 3.211 . 0 0 "[ . 1 . 2]" 1
1137 1 7 LEU QB 1 7 LEU QD 2.700 . 3.600 1.911 1.851 2.002 . 0 0 "[ . 1 . 2]" 1
1138 1 7 LEU QB 1 70 VAL QG 2.500 . 6.000 4.343 3.855 4.885 . 0 0 "[ . 1 . 2]" 1
1139 1 5 GLU HG2 1 7 LEU QD 3.000 . 4.100 3.773 2.871 4.342 0.242 18 0 "[ . 1 . 2]" 1
1140 1 11 VAL HB 1 11 VAL QG 2.700 . 3.600 1.767 1.672 1.859 0.228 9 0 "[ . 1 . 2]" 1
1141 1 45 VAL MG2 1 47 VAL HA 2.700 . 3.600 2.459 2.412 2.545 . 0 0 "[ . 1 . 2]" 1
1142 1 30 LEU HB2 1 59 ILE MD 2.900 . 4.000 2.709 2.369 2.944 . 0 0 "[ . 1 . 2]" 1
1143 1 11 VAL QG 1 68 TYR HB3 2.900 . 3.900 2.427 1.947 3.091 . 0 0 "[ . 1 . 2]" 1
1144 1 30 LEU MD1 1 58 ASP HB3 2.700 . 3.600 2.657 2.244 3.296 . 0 0 "[ . 1 . 2]" 1
1145 1 30 LEU QD 1 31 ASN HB3 3.000 . 4.100 3.433 2.859 3.781 . 0 0 "[ . 1 . 2]" 1
1146 1 59 ILE HA 1 59 ILE HG13 3.000 . 4.100 2.985 2.021 3.362 . 0 0 "[ . 1 . 2]" 1
1147 1 28 LYS HB2 1 33 VAL QG 2.800 . 3.800 2.189 1.821 2.839 . 0 0 "[ . 1 . 2]" 1
1148 1 24 GLU HB3 1 36 VAL QG 2.800 . 3.800 1.916 1.769 2.833 0.031 13 0 "[ . 1 . 2]" 1
1149 1 54 VAL MG1 1 58 ASP HB3 3.400 . 4.900 4.368 3.765 4.808 . 0 0 "[ . 1 . 2]" 1
1150 1 30 LEU HB3 1 54 VAL MG2 2.700 . 3.600 2.645 2.152 2.926 . 0 0 "[ . 1 . 2]" 1
1151 1 20 VAL HA 1 20 VAL MG1 2.700 . 3.600 1.978 1.817 2.126 . 0 0 "[ . 1 . 2]" 1
1152 1 5 GLU HB3 1 7 LEU QD 3.000 . 4.100 2.837 2.044 4.018 . 0 0 "[ . 1 . 2]" 1
1153 1 38 VAL HB 1 45 VAL MG1 3.100 . 4.300 3.019 2.000 4.337 0.037 6 0 "[ . 1 . 2]" 1
1154 1 60 VAL MG2 1 64 GLU HG3 3.000 . 4.100 2.704 2.193 3.580 . 0 0 "[ . 1 . 2]" 1
1155 1 30 LEU HA 1 30 LEU HB2 2.900 . 4.000 2.919 2.840 2.968 . 0 0 "[ . 1 . 2]" 1
1156 1 27 VAL QG 1 59 ILE HB 3.100 . 4.300 3.917 3.656 4.211 . 0 0 "[ . 1 . 2]" 1
1157 1 14 MET ME 1 38 VAL QG 3.100 . 4.300 2.330 1.993 3.612 . 0 0 "[ . 1 . 2]" 1
1158 1 49 ILE HG12 1 54 VAL MG1 3.100 . 4.300 2.844 2.716 3.371 . 0 0 "[ . 1 . 2]" 1
1159 1 27 VAL QG 1 59 ILE HG12 3.100 . 4.300 3.079 2.416 3.417 . 0 0 "[ . 1 . 2]" 1
1160 1 63 ILE HB 1 63 ILE HG12 2.900 . 4.000 2.465 2.107 2.744 . 0 0 "[ . 1 . 2]" 1
1161 1 6 GLN HG2 1 48 THR HA 3.100 . 4.300 3.375 2.370 4.639 0.339 11 0 "[ . 1 . 2]" 1
1162 1 8 THR MG 1 46 GLU HG3 3.000 . 4.100 2.747 2.409 3.370 . 0 0 "[ . 1 . 2]" 1
1163 1 7 LEU HA 1 8 THR HB 3.000 . 4.100 2.991 2.983 2.996 . 0 0 "[ . 1 . 2]" 1
1164 1 7 LEU QB 1 47 VAL HB 3.000 . 4.100 3.478 2.929 3.934 . 0 0 "[ . 1 . 2]" 1
1165 1 26 SER HB3 1 27 VAL QG 2.800 . 3.800 3.388 2.433 4.365 0.565 4 1 "[ +. 1 . 2]" 1
1166 1 11 VAL HA 1 70 VAL QG 2.900 . 3.900 2.048 1.777 2.918 0.123 8 0 "[ . 1 . 2]" 1
1167 1 27 VAL HA 1 62 VAL QG 3.300 . 4.600 3.293 2.596 3.520 . 0 0 "[ . 1 . 2]" 1
1168 1 27 VAL MG1 1 28 LYS HB2 3.200 . 4.400 2.958 2.369 3.500 . 0 0 "[ . 1 . 2]" 1
1169 1 10 GLN HA 1 11 VAL QG 3.200 . 4.400 3.023 2.855 3.163 . 0 0 "[ . 1 . 2]" 1
1170 1 10 GLN QB 1 44 THR HB 3.300 . 4.600 4.187 3.996 4.451 . 0 0 "[ . 1 . 2]" 1
1171 1 56 LEU MD1 1 57 LYS HA 3.100 . 4.300 3.454 2.432 4.095 . 0 0 "[ . 1 . 2]" 1
1172 1 59 ILE HB 1 60 VAL HA 3.000 . 4.100 2.951 2.929 2.969 . 0 0 "[ . 1 . 2]" 1
1173 1 59 ILE HA 1 62 VAL HB 2.900 . 4.000 3.272 2.830 4.031 0.031 14 0 "[ . 1 . 2]" 1
1174 1 9 LEU HB2 1 70 VAL QG 3.100 . 4.300 2.783 1.929 3.123 . 0 0 "[ . 1 . 2]" 1
1175 1 5 GLU HA 1 5 GLU HB2 3.100 . 4.300 2.575 2.309 2.809 . 0 0 "[ . 1 . 2]" 1
1176 1 7 LEU QB 1 9 LEU QD 3.000 . 4.100 2.655 2.150 3.251 . 0 0 "[ . 1 . 2]" 1
1177 1 30 LEU MD2 1 31 ASN HB2 3.100 . 4.300 3.554 3.220 3.844 . 0 0 "[ . 1 . 2]" 1
1178 1 23 ILE HB 1 23 ILE MD 2.900 . 4.000 2.395 2.343 2.422 . 0 0 "[ . 1 . 2]" 1
1179 1 26 SER HB3 1 62 VAL QG 3.600 . 5.200 2.497 1.700 3.503 0.300 8 0 "[ . 1 . 2]" 1
1180 1 30 LEU HG 1 54 VAL MG1 3.200 . 4.500 3.178 2.902 3.408 . 0 0 "[ . 1 . 2]" 1
1181 1 64 GLU HG2 1 70 VAL QG 3.200 . 4.500 2.353 1.884 3.245 0.016 14 0 "[ . 1 . 2]" 1
1182 1 23 ILE QG 1 23 ILE MG 3.100 . 4.300 2.187 1.874 2.291 0.026 18 0 "[ . 1 . 2]" 1
1183 1 26 SER HB2 1 27 VAL MG2 3.200 . 4.500 2.767 2.048 3.477 . 0 0 "[ . 1 . 2]" 1
1184 1 49 ILE MD 1 56 LEU HA 3.100 . 4.300 2.667 2.151 3.146 . 0 0 "[ . 1 . 2]" 1
1185 1 14 MET QG 1 40 LEU HA 3.300 . 4.700 3.372 2.934 3.644 . 0 0 "[ . 1 . 2]" 1
1186 1 59 ILE HA 1 62 VAL QG 3.100 . 4.300 2.929 1.998 3.193 . 0 0 "[ . 1 . 2]" 1
1187 1 37 LYS HA 1 38 VAL HB 3.400 . 4.800 3.268 2.381 3.726 . 0 0 "[ . 1 . 2]" 1
1188 1 9 LEU HB2 1 44 THR MG 2.900 . 4.000 3.354 1.966 4.125 0.125 17 0 "[ . 1 . 2]" 1
1189 1 23 ILE MD 1 27 VAL MG2 3.200 . 4.500 2.504 1.908 3.090 . 0 0 "[ . 1 . 2]" 1
1190 1 19 CYS HA 1 22 ALA MB 3.000 . 4.100 2.284 1.953 2.560 . 0 0 "[ . 1 . 2]" 1
1191 1 27 VAL HA 1 28 LYS HB2 3.000 . 4.200 2.924 2.467 3.604 . 0 0 "[ . 1 . 2]" 1
1192 1 26 SER HA 1 29 GLU HB3 3.000 . 4.100 4.148 3.921 4.244 0.144 1 0 "[ . 1 . 2]" 1
1193 1 10 GLN QB 1 45 VAL MG1 3.300 . 4.700 3.833 2.486 4.548 . 0 0 "[ . 1 . 2]" 1
1194 1 3 ALA MB 1 5 GLU HG2 3.300 . 4.600 3.304 2.807 4.657 0.057 15 0 "[ . 1 . 2]" 1
1195 1 7 LEU QB 1 47 VAL MG2 3.200 . 4.500 3.273 2.925 3.656 . 0 0 "[ . 1 . 2]" 1
1196 1 24 GLU HA 1 36 VAL QG 3.100 . 4.300 2.174 1.900 2.549 0.000 2 0 "[ . 1 . 2]" 1
1197 1 23 ILE HB 1 27 VAL MG2 3.500 . 5.000 4.471 4.145 5.112 0.112 9 0 "[ . 1 . 2]" 1
1198 1 26 SER HA 1 27 VAL MG2 3.200 . 4.500 3.830 3.384 4.138 . 0 0 "[ . 1 . 2]" 1
1199 1 10 GLN QG 1 44 THR HB 3.400 . 4.800 4.264 3.792 4.840 0.040 12 0 "[ . 1 . 2]" 1
1200 1 5 GLU HB3 1 7 LEU QD 3.100 . 4.300 2.888 2.055 4.010 . 0 0 "[ . 1 . 2]" 1
1201 1 27 VAL HB 1 33 VAL QG 3.300 . 4.700 2.180 1.940 2.520 . 0 0 "[ . 1 . 2]" 1
1202 1 20 VAL HA 1 23 ILE MG 3.000 . 4.100 2.369 2.042 2.706 . 0 0 "[ . 1 . 2]" 1
1203 1 38 VAL QG 1 39 GLN HA 3.400 . 4.800 3.592 3.307 3.830 . 0 0 "[ . 1 . 2]" 1
1204 1 5 GLU HB3 1 7 LEU QB 3.100 . 4.300 3.386 2.899 3.786 . 0 0 "[ . 1 . 2]" 1
1205 1 4 MET HA 1 49 ILE MG 3.500 . 5.000 3.712 2.953 4.732 . 0 0 "[ . 1 . 2]" 1
1206 1 9 LEU HB2 1 60 VAL MG2 3.300 . 4.700 3.487 2.479 4.189 . 0 0 "[ . 1 . 2]" 1
1207 1 30 LEU HA 1 31 ASN HB2 3.700 . 5.400 4.319 4.109 4.448 . 0 0 "[ . 1 . 2]" 1
1208 1 28 LYS QB 1 28 LYS QE 3.400 . 4.800 2.872 1.942 3.529 0.058 19 0 "[ . 1 . 2]" 1
1209 1 5 GLU HB3 1 49 ILE MG 3.300 . 4.600 3.088 2.535 3.495 . 0 0 "[ . 1 . 2]" 1
1210 1 11 VAL HA 1 12 GLU HB2 3.100 . 4.300 2.913 2.462 3.507 . 0 0 "[ . 1 . 2]" 1
1211 1 32 GLY HA3 1 49 ILE MD 3.300 . 4.700 3.444 2.594 4.006 . 0 0 "[ . 1 . 2]" 1
1212 1 27 VAL HA 1 59 ILE HG13 3.400 . 4.800 3.849 2.646 4.435 . 0 0 "[ . 1 . 2]" 1
1213 1 30 LEU HA 1 62 VAL QG 4.000 . 6.000 4.189 3.936 4.454 . 0 0 "[ . 1 . 2]" 1
1214 1 30 LEU HA 1 54 VAL MG1 3.200 . 4.500 4.108 3.843 4.334 . 0 0 "[ . 1 . 2]" 1
1215 1 7 LEU QB 1 47 VAL HB 3.400 . 4.800 3.419 2.917 3.870 . 0 0 "[ . 1 . 2]" 1
1216 1 38 VAL HA 1 38 VAL HB 3.100 . 4.300 2.574 2.355 3.015 . 0 0 "[ . 1 . 2]" 1
1217 1 4 MET HA 1 5 GLU HA 3.700 . 5.400 3.911 3.884 3.932 . 0 0 "[ . 1 . 2]" 1
1218 1 9 LEU QD 1 46 GLU HB3 3.300 . 4.700 3.118 2.443 4.291 . 0 0 "[ . 1 . 2]" 1
1219 1 24 GLU HA 1 27 VAL HB 3.300 . 4.700 3.718 3.455 4.410 . 0 0 "[ . 1 . 2]" 1
1220 1 23 ILE HA 1 27 VAL MG2 3.400 . 4.800 3.645 3.342 3.981 . 0 0 "[ . 1 . 2]" 1
1221 1 4 MET ME 1 49 ILE HA 3.400 . 4.900 3.626 3.029 4.111 . 0 0 "[ . 1 . 2]" 1
1222 1 36 VAL HA 1 36 VAL HB 3.100 . 4.300 2.646 2.373 3.006 . 0 0 "[ . 1 . 2]" 1
1223 1 55 THR HB 1 56 LEU HB2 3.500 . 5.100 3.390 3.069 3.718 . 0 0 "[ . 1 . 2]" 1
1224 1 33 VAL QG 1 34 GLU HA 3.500 . 5.100 3.215 2.817 3.436 . 0 0 "[ . 1 . 2]" 1
1225 1 30 LEU MD2 1 31 ASN HA 3.300 . 4.700 4.375 4.197 4.622 . 0 0 "[ . 1 . 2]" 1
1226 1 8 THR HA 1 44 THR HB 3.600 . 5.200 4.268 4.014 4.437 . 0 0 "[ . 1 . 2]" 1
1227 1 30 LEU HB2 1 33 VAL QG 3.100 . 4.300 2.187 1.931 2.565 . 0 0 "[ . 1 . 2]" 1
1228 1 30 LEU HB2 1 54 VAL MG1 3.500 . 5.000 4.146 3.834 4.566 . 0 0 "[ . 1 . 2]" 1
1229 1 24 GLU HA 1 27 VAL MG2 3.600 . 5.200 3.284 3.084 3.925 . 0 0 "[ . 1 . 2]" 1
1230 1 26 SER HB2 1 27 VAL MG2 3.600 . 5.200 3.274 2.831 4.141 . 0 0 "[ . 1 . 2]" 1
1231 1 8 THR HA 1 9 LEU QD 3.800 . 5.600 2.727 2.395 3.292 . 0 0 "[ . 1 . 2]" 1
1232 1 59 ILE HA 1 63 ILE MD 4.100 . 6.000 3.469 2.173 3.653 . 0 0 "[ . 1 . 2]" 1
1233 1 26 SER HB3 1 62 VAL HB 3.400 . 4.900 3.969 3.236 4.668 . 0 0 "[ . 1 . 2]" 1
1234 1 11 VAL HB 1 70 VAL QG 3.500 . 5.000 2.095 1.784 2.267 0.216 14 0 "[ . 1 . 2]" 1
1235 1 10 GLN QG 1 44 THR MG 3.500 . 5.000 2.928 2.126 3.690 . 0 0 "[ . 1 . 2]" 1
1236 1 55 THR HB 1 56 LEU HB3 4.100 . 6.000 4.825 4.086 5.376 . 0 0 "[ . 1 . 2]" 1
1237 1 17 GLY HA2 1 38 VAL QG 3.400 . 4.800 3.388 3.016 3.733 . 0 0 "[ . 1 . 2]" 1
1238 1 5 GLU HB2 1 7 LEU QD 3.500 . 5.100 3.317 2.291 4.648 . 0 0 "[ . 1 . 2]" 1
1239 1 8 THR MG 1 46 GLU HG2 3.500 . 5.000 2.567 1.841 3.595 0.159 6 0 "[ . 1 . 2]" 1
1240 1 6 GLN HB3 1 48 THR MG 3.100 . 4.300 4.105 3.698 4.341 0.041 3 0 "[ . 1 . 2]" 1
1241 1 5 GLU HB3 1 7 LEU QB 3.600 . 5.300 4.616 3.848 5.049 . 0 0 "[ . 1 . 2]" 1
1242 1 10 GLN HG3 1 11 VAL HA 3.500 . 5.100 4.137 3.561 5.009 . 0 0 "[ . 1 . 2]" 1
1243 1 4 MET ME 1 48 THR HA 3.900 . 5.800 3.723 3.468 3.947 . 0 0 "[ . 1 . 2]" 1
1244 1 30 LEU HG 1 59 ILE HG13 3.600 . 5.300 3.089 2.816 3.371 . 0 0 "[ . 1 . 2]" 1
1245 1 28 LYS QE 1 33 VAL QG 3.200 . 4.500 2.896 1.860 3.853 0.040 13 0 "[ . 1 . 2]" 1
1246 1 30 LEU HG 1 59 ILE MD 3.500 . 5.000 3.640 3.392 3.808 . 0 0 "[ . 1 . 2]" 1
1247 1 26 SER HB2 1 59 ILE MG 3.900 . 5.800 4.095 3.863 4.328 . 0 0 "[ . 1 . 2]" 1
1248 1 7 LEU QB 1 8 THR HA 4.000 . 6.000 3.968 3.724 4.405 . 0 0 "[ . 1 . 2]" 1
1249 1 23 ILE QG 1 38 VAL QG 3.800 . 5.600 2.925 2.664 3.225 . 0 0 "[ . 1 . 2]" 1
1250 1 55 THR MG 1 58 ASP HA 4.100 . 6.000 3.696 3.285 4.225 . 0 0 "[ . 1 . 2]" 1
1251 1 56 LEU HA 1 59 ILE HA 4.000 . 6.000 4.894 4.798 5.013 . 0 0 "[ . 1 . 2]" 1
1252 1 25 SER HA 1 28 LYS HG2 3.900 . 5.800 3.734 3.137 4.474 . 0 0 "[ . 1 . 2]" 1
1253 1 10 GLN QG 1 44 THR HA 4.000 . 6.000 4.419 3.788 4.818 . 0 0 "[ . 1 . 2]" 1
1254 1 26 SER HA 1 62 VAL QG 3.200 . 4.500 2.308 2.105 2.604 . 0 0 "[ . 1 . 2]" 1
1255 1 27 VAL HB 1 27 VAL MG2 3.400 . 4.800 2.073 1.991 2.101 0.009 9 0 "[ . 1 . 2]" 1
1256 1 32 GLY HA2 1 49 ILE MG 3.600 . 5.200 5.042 4.827 5.311 0.111 11 0 "[ . 1 . 2]" 1
1257 1 39 GLN HB3 1 41 ALA HA 4.300 . 6.000 5.091 4.349 5.388 . 0 0 "[ . 1 . 2]" 1
1258 1 57 LYS HA 1 61 ALA MB 3.800 . 5.600 3.580 3.445 3.652 . 0 0 "[ . 1 . 2]" 1
1259 1 21 ASN HA 1 24 GLU HB3 3.800 . 5.600 2.341 1.940 2.787 0.060 8 0 "[ . 1 . 2]" 1
1260 1 7 LEU QD 1 44 THR HB 3.400 . 4.800 4.374 3.740 4.572 . 0 0 "[ . 1 . 2]" 1
1261 1 52 SER HB3 1 53 VAL QG 3.600 . 5.200 3.201 2.673 3.579 . 0 0 "[ . 1 . 2]" 1
1262 1 7 LEU QD 1 46 GLU HA 4.200 . 6.000 4.461 4.278 4.576 . 0 0 "[ . 1 . 2]" 1
1263 1 9 LEU HB3 1 44 THR MG 3.300 . 4.700 3.000 1.953 3.845 . 0 0 "[ . 1 . 2]" 1
1264 1 10 GLN QB 1 44 THR HB 4.200 . 6.000 4.706 4.313 5.412 . 0 0 "[ . 1 . 2]" 1
1265 1 27 VAL QG 1 59 ILE HG13 3.900 . 5.800 2.994 2.718 3.219 . 0 0 "[ . 1 . 2]" 1
1266 1 63 ILE MG 1 64 GLU HG2 3.700 . 5.400 3.127 2.882 3.494 . 0 0 "[ . 1 . 2]" 1
1267 1 29 GLU HA 1 30 LEU MD2 4.000 . 6.000 3.759 3.436 4.057 . 0 0 "[ . 1 . 2]" 1
1268 1 14 MET QB 1 40 LEU QD 3.500 . 5.100 2.522 1.919 3.070 . 0 0 "[ . 1 . 2]" 1
1269 1 48 THR MG 1 49 ILE HA 3.900 . 5.800 3.415 3.239 3.565 . 0 0 "[ . 1 . 2]" 1
1270 1 14 MET QG 1 23 ILE MD 4.000 . 6.000 3.856 3.070 4.467 . 0 0 "[ . 1 . 2]" 1
1271 1 4 MET HA 1 49 ILE HG13 4.100 . 6.000 3.387 2.901 3.863 . 0 0 "[ . 1 . 2]" 1
1272 1 9 LEU MD1 1 10 GLN QG 4.100 . 6.000 4.303 4.032 4.704 . 0 0 "[ . 1 . 2]" 1
1273 1 9 LEU QD 1 27 VAL HB 3.700 . 5.400 2.631 1.973 3.433 0.027 13 0 "[ . 1 . 2]" 1
1274 1 3 ALA MB 1 51 SER HB3 3.900 . 5.800 3.405 2.441 4.249 . 0 0 "[ . 1 . 2]" 1
1275 1 57 LYS HG2 1 60 VAL MG1 4.300 . 6.000 3.719 3.244 4.087 . 0 0 "[ . 1 . 2]" 1
1276 1 9 LEU QD 1 46 GLU HA 4.000 . 6.000 3.413 3.014 3.811 . 0 0 "[ . 1 . 2]" 1
1277 1 31 ASN HB2 1 54 VAL MG1 4.200 . 6.000 5.009 4.755 5.482 . 0 0 "[ . 1 . 2]" 1
1278 1 11 VAL QG 1 39 GLN HA 3.600 . 5.300 5.191 4.944 5.641 0.341 17 0 "[ . 1 . 2]" 1
1279 1 60 VAL MG1 1 64 GLU HG2 4.000 . 6.000 3.090 2.748 3.216 . 0 0 "[ . 1 . 2]" 1
1280 1 59 ILE MG 1 63 ILE HG13 3.900 . 5.800 2.581 2.237 2.809 . 0 0 "[ . 1 . 2]" 1
1281 1 23 ILE QG 1 36 VAL QG 4.000 . 6.000 3.202 1.982 3.895 0.018 16 0 "[ . 1 . 2]" 1
1282 1 45 VAL MG2 1 46 GLU HA 4.000 . 6.000 3.477 3.261 3.579 . 0 0 "[ . 1 . 2]" 1
1283 1 3 ALA MB 1 53 VAL QG 4.200 . 6.000 3.747 3.440 4.165 . 0 0 "[ . 1 . 2]" 1
1284 1 47 VAL MG1 1 48 THR HA 4.200 . 6.000 3.575 3.359 3.697 . 0 0 "[ . 1 . 2]" 1
1285 1 33 VAL HB 1 49 ILE HA 4.600 . 6.000 4.519 3.263 4.917 . 0 0 "[ . 1 . 2]" 1
1286 1 7 LEU QB 1 46 GLU HA 4.300 . 6.000 4.195 3.763 4.531 . 0 0 "[ . 1 . 2]" 1
1287 1 30 LEU HB2 1 54 VAL MG1 4.500 . 6.000 3.213 3.071 3.450 . 0 0 "[ . 1 . 2]" 1
1288 1 20 VAL HA 1 38 VAL QG 3.800 . 5.600 2.180 1.876 2.552 0.124 20 0 "[ . 1 . 2]" 1
1289 1 10 GLN QB 1 11 VAL HA 4.200 . 6.000 3.646 2.276 3.957 . 0 0 "[ . 1 . 2]" 1
1290 1 24 GLU HA 1 27 VAL MG2 4.200 . 6.000 3.085 2.590 3.254 . 0 0 "[ . 1 . 2]" 1
1291 1 4 MET ME 1 33 VAL QG 4.200 . 6.000 4.579 3.953 5.317 . 0 0 "[ . 1 . 2]" 1
1292 1 5 GLU HA 1 48 THR MG 4.200 . 6.000 4.330 4.022 4.649 . 0 0 "[ . 1 . 2]" 1
1293 1 20 VAL HA 1 23 ILE MD 4.600 . 6.000 3.865 2.868 4.563 . 0 0 "[ . 1 . 2]" 1
1294 1 30 LEU HB2 1 49 ILE MG 4.100 . 6.000 3.049 2.773 3.676 . 0 0 "[ . 1 . 2]" 1
1295 1 49 ILE HG13 1 51 SER HB3 4.000 . 6.000 3.685 3.020 4.554 . 0 0 "[ . 1 . 2]" 1
1296 1 11 VAL HA 1 14 MET ME 4.600 . 6.000 4.254 3.964 5.246 . 0 0 "[ . 1 . 2]" 1
1297 1 49 ILE HG13 1 55 THR HA 4.200 . 6.000 3.934 2.860 4.861 . 0 0 "[ . 1 . 2]" 1
1298 1 33 VAL QG 1 50 ASP HA 4.200 . 6.000 3.741 3.564 4.085 . 0 0 "[ . 1 . 2]" 1
1299 1 27 VAL HB 1 63 ILE MD 4.600 . 6.000 3.581 1.962 3.946 0.038 9 0 "[ . 1 . 2]" 1
1300 1 30 LEU MD1 1 58 ASP HA 4.200 . 6.000 3.525 3.160 3.877 . 0 0 "[ . 1 . 2]" 1
1301 1 22 ALA MB 1 25 SER HA 4.400 . 6.000 6.094 6.030 6.164 0.164 5 0 "[ . 1 . 2]" 1
1302 1 23 ILE QG 1 38 VAL HA 4.300 . 6.000 4.317 4.073 4.586 . 0 0 "[ . 1 . 2]" 1
1303 1 27 VAL QG 1 29 GLU HA 3.700 . 5.400 4.414 4.271 4.533 . 0 0 "[ . 1 . 2]" 1
1304 1 4 MET HA 1 5 GLU HB2 4.600 . 6.000 4.205 3.992 4.342 . 0 0 "[ . 1 . 2]" 1
1305 1 11 VAL HB 1 44 THR HA 4.400 . 6.000 3.682 3.285 4.066 . 0 0 "[ . 1 . 2]" 1
1306 1 26 SER HA 1 29 GLU HG2 3.600 . 5.200 4.142 3.358 4.763 . 0 0 "[ . 1 . 2]" 1
1307 1 10 GLN QB 1 44 THR HA 5.000 . 6.000 4.080 3.566 4.507 . 0 0 "[ . 1 . 2]" 1
1308 1 4 MET HA 1 5 GLU HB3 4.700 . 6.000 4.425 4.128 4.617 . 0 0 "[ . 1 . 2]" 1
1309 1 34 GLU HA 1 54 VAL MG1 4.800 . 6.000 3.741 3.295 4.232 . 0 0 "[ . 1 . 2]" 1
1310 1 20 VAL HA 1 23 ILE MD 5.000 . 6.000 3.717 2.848 4.237 . 0 0 "[ . 1 . 2]" 1
1311 1 37 LYS QB 1 38 VAL HA 5.100 . 6.000 3.936 3.777 4.171 . 0 0 "[ . 1 . 2]" 1
1312 1 4 MET HB3 1 50 ASP HA 5.100 . 6.000 4.358 3.090 5.195 . 0 0 "[ . 1 . 2]" 1
1313 1 10 GLN QB 1 44 THR HB 4.800 . 6.000 4.380 4.056 4.756 . 0 0 "[ . 1 . 2]" 1
1314 1 30 LEU HA 1 54 VAL MG2 4.200 . 6.000 4.265 3.918 4.481 . 0 0 "[ . 1 . 2]" 1
1315 1 38 VAL HB 1 45 VAL HA 4.900 . 6.000 3.555 3.021 4.454 . 0 0 "[ . 1 . 2]" 1
1316 1 23 ILE HG12 1 29 GLU H 4.000 . 6.000 4.020 3.037 5.598 . 0 0 "[ . 1 . 2]" 1
1317 1 23 ILE MG 1 24 GLU HB3 4.600 . 6.000 2.858 2.348 3.528 . 0 0 "[ . 1 . 2]" 1
1318 1 49 ILE HB 1 54 VAL MG2 4.600 . 6.000 2.910 2.594 3.297 . 0 0 "[ . 1 . 2]" 1
1319 1 36 VAL HA 1 37 LYS QB 5.300 . 6.000 3.877 3.697 4.050 . 0 0 "[ . 1 . 2]" 1
1320 1 3 ALA MB 1 4 MET HA 5.700 . 6.000 3.863 3.619 3.962 . 0 0 "[ . 1 . 2]" 1
1321 1 30 LEU HB2 1 54 VAL MG2 5.800 . 6.000 3.411 3.027 3.868 . 0 0 "[ . 1 . 2]" 1
1322 1 55 THR HB 1 57 LYS QE 5.300 . 6.000 5.299 3.331 6.096 0.096 3 0 "[ . 1 . 2]" 1
1323 1 4 MET ME 1 33 VAL HA 5.800 . 6.000 4.172 3.765 4.432 . 0 0 "[ . 1 . 2]" 1
1324 1 2 ASN HB3 1 53 VAL MG2 5.500 . 6.000 3.383 2.853 3.771 . 0 0 "[ . 1 . 2]" 1
1325 1 27 VAL HA 1 33 VAL QG 5.300 . 6.000 2.964 2.665 3.406 . 0 0 "[ . 1 . 2]" 1
1326 1 2 ASN QB 1 49 ILE HG13 4.700 . 6.000 3.869 3.166 4.268 . 0 0 "[ . 1 . 2]" 1
1327 1 23 ILE QG 1 36 VAL HA 5.700 . 6.000 4.257 4.030 4.495 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 24
_Distance_constraint_stats_list.Viol_count 120
_Distance_constraint_stats_list.Viol_total 77.412
_Distance_constraint_stats_list.Viol_max 0.104
_Distance_constraint_stats_list.Viol_rms 0.0185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0323
_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 18 HIS 0.616 0.081 3 0 "[ . 1 . 2]"
1 19 CYS 0.015 0.015 3 0 "[ . 1 . 2]"
1 20 VAL 0.247 0.064 19 0 "[ . 1 . 2]"
1 21 ASN 0.574 0.063 1 0 "[ . 1 . 2]"
1 22 ALA 0.662 0.081 3 0 "[ . 1 . 2]"
1 23 ILE 1.173 0.104 4 0 "[ . 1 . 2]"
1 24 GLU 0.247 0.064 19 0 "[ . 1 . 2]"
1 25 SER 0.574 0.063 1 0 "[ . 1 . 2]"
1 26 SER 0.046 0.016 3 0 "[ . 1 . 2]"
1 27 VAL 1.159 0.104 4 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LEU 0.089 0.033 12 0 "[ . 1 . 2]"
1 57 LYS 0.190 0.068 10 0 "[ . 1 . 2]"
1 58 ASP 0.765 0.100 17 0 "[ . 1 . 2]"
1 59 ILE 0.153 0.045 14 0 "[ . 1 . 2]"
1 60 VAL 0.106 0.033 12 0 "[ . 1 . 2]"
1 61 ALA 0.190 0.068 10 0 "[ . 1 . 2]"
1 62 VAL 0.765 0.100 17 0 "[ . 1 . 2]"
1 63 ILE 0.153 0.045 14 0 "[ . 1 . 2]"
1 64 GLU 0.018 0.018 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 HIS O 1 22 ALA H 1.900 . 2.100 2.103 1.883 2.181 0.081 3 0 "[ . 1 . 2]" 2
2 1 18 HIS O 1 22 ALA N 2.900 2.700 3.100 3.041 2.839 3.144 0.044 3 0 "[ . 1 . 2]" 2
3 1 19 CYS O 1 23 ILE H 1.900 . 2.100 1.930 1.778 2.115 0.015 3 0 "[ . 1 . 2]" 2
4 1 19 CYS O 1 23 ILE N 2.900 2.700 3.100 2.908 2.741 3.098 . 0 0 "[ . 1 . 2]" 2
5 1 20 VAL O 1 24 GLU H 1.900 . 2.100 2.012 1.787 2.164 0.064 19 0 "[ . 1 . 2]" 2
6 1 20 VAL O 1 24 GLU N 2.900 2.700 3.100 2.927 2.731 3.064 . 0 0 "[ . 1 . 2]" 2
7 1 21 ASN O 1 25 SER H 1.900 . 2.100 2.077 1.856 2.163 0.063 1 0 "[ . 1 . 2]" 2
8 1 21 ASN O 1 25 SER N 2.900 2.700 3.100 3.044 2.839 3.130 0.030 12 0 "[ . 1 . 2]" 2
9 1 22 ALA O 1 26 SER H 1.900 . 2.100 1.996 1.863 2.116 0.016 3 0 "[ . 1 . 2]" 2
10 1 22 ALA O 1 26 SER N 2.900 2.700 3.100 2.885 2.745 3.020 . 0 0 "[ . 1 . 2]" 2
11 1 23 ILE O 1 27 VAL H 1.900 . 2.100 2.154 2.109 2.204 0.104 4 0 "[ . 1 . 2]" 2
12 1 23 ILE O 1 27 VAL N 2.900 2.700 3.100 3.066 3.014 3.140 0.040 4 0 "[ . 1 . 2]" 2
13 1 24 GLU O 1 28 LYS H 1.900 . 2.100 1.901 1.760 2.024 . 0 0 "[ . 1 . 2]" 2
14 1 24 GLU O 1 28 LYS N 2.900 2.700 3.100 2.834 2.726 2.945 . 0 0 "[ . 1 . 2]" 2
15 1 56 LEU O 1 60 VAL H 1.900 . 2.100 1.960 1.694 2.133 0.033 12 0 "[ . 1 . 2]" 2
16 1 56 LEU O 1 60 VAL N 2.900 2.700 3.100 2.936 2.677 3.104 0.023 11 0 "[ . 1 . 2]" 2
17 1 57 LYS O 1 61 ALA H 1.900 . 2.100 1.766 1.695 1.832 0.005 10 0 "[ . 1 . 2]" 2
18 1 57 LYS O 1 61 ALA N 2.900 2.700 3.100 2.717 2.632 2.775 0.068 10 0 "[ . 1 . 2]" 2
19 1 58 ASP O 1 62 VAL H 1.900 . 2.100 2.118 2.003 2.200 0.100 17 0 "[ . 1 . 2]" 2
20 1 58 ASP O 1 62 VAL N 2.900 2.700 3.100 3.065 2.966 3.129 0.029 10 0 "[ . 1 . 2]" 2
21 1 59 ILE O 1 63 ILE H 1.900 . 2.100 1.996 1.761 2.145 0.045 14 0 "[ . 1 . 2]" 2
22 1 59 ILE O 1 63 ILE N 2.900 2.700 3.100 2.943 2.722 3.110 0.010 12 0 "[ . 1 . 2]" 2
23 1 60 VAL O 1 64 GLU H 1.900 . 2.100 1.888 1.764 2.092 . 0 0 "[ . 1 . 2]" 2
24 1 60 VAL O 1 64 GLU N 2.900 2.700 3.100 2.857 2.682 3.063 0.018 10 0 "[ . 1 . 2]" 2
stop_
save_
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