NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392438 |
1q0v   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q0v
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 726
_Distance_constraint_stats_list.Viol_count 468
_Distance_constraint_stats_list.Viol_total 984.974
_Distance_constraint_stats_list.Viol_max 0.679
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.1052
_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 2 ASP 1.551 0.338 19 0 "[ . 1 . 2]"
1 3 ARG 2.039 0.338 19 0 "[ . 1 . 2]"
1 4 ASP 2.240 0.338 19 0 "[ . 1 . 2]"
1 5 TYR 0.262 0.200 10 0 "[ . 1 . 2]"
1 6 SER 0.760 0.221 15 0 "[ . 1 . 2]"
1 7 THR 0.898 0.159 9 0 "[ . 1 . 2]"
1 8 PRO 2.401 0.281 1 0 "[ . 1 . 2]"
1 9 GLU 1.262 0.281 1 0 "[ . 1 . 2]"
1 10 ASP 1.138 0.111 3 0 "[ . 1 . 2]"
1 11 GLU 3.102 0.679 9 1 "[ . +1 . 2]"
1 12 GLU 2.567 0.679 9 1 "[ . +1 . 2]"
1 13 GLU 1.779 0.566 19 1 "[ . 1 . +2]"
1 14 LEU 2.370 0.566 19 1 "[ . 1 . +2]"
1 15 ILE 4.390 0.679 9 1 "[ . +1 . 2]"
1 16 ARG 2.388 0.267 7 0 "[ . 1 . 2]"
1 17 LYS 0.320 0.109 5 0 "[ . 1 . 2]"
1 18 ALA 1.894 0.267 7 0 "[ . 1 . 2]"
1 19 ILE 1.214 0.283 20 0 "[ . 1 . 2]"
1 20 GLU 0.198 0.109 5 0 "[ . 1 . 2]"
1 21 LEU 3.354 0.638 10 2 "[ . + . -2]"
1 22 SER 1.584 0.131 20 0 "[ . 1 . 2]"
1 23 LEU 1.876 0.267 7 0 "[ . 1 . 2]"
1 24 LYS 0.342 0.165 20 0 "[ . 1 . 2]"
1 25 GLU 5.184 0.578 14 1 "[ . 1 +. 2]"
1 26 SER 1.578 0.462 14 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 1.041 0.289 16 0 "[ . 1 . 2]"
1 30 ALA 1.041 0.289 16 0 "[ . 1 . 2]"
1 31 SER 0.221 0.221 15 0 "[ . 1 . 2]"
1 32 SER 1.631 0.284 5 0 "[ . 1 . 2]"
1 33 GLU 1.543 0.284 5 0 "[ . 1 . 2]"
1 34 PRO 1.547 0.284 5 0 "[ . 1 . 2]"
1 35 ILE 0.390 0.149 9 0 "[ . 1 . 2]"
1 36 VAL 0.396 0.302 13 0 "[ . 1 . 2]"
1 37 PRO 0.691 0.302 13 0 "[ . 1 . 2]"
1 38 VAL 0.896 0.302 7 0 "[ . 1 . 2]"
1 39 VAL 3.256 0.427 7 0 "[ . 1 . 2]"
1 40 GLU 1.332 0.404 1 0 "[ . 1 . 2]"
1 41 SER 0.683 0.156 18 0 "[ . 1 . 2]"
1 42 LYS 0.615 0.404 1 0 "[ . 1 . 2]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 1.261 0.404 1 0 "[ . 1 . 2]"
1 45 VAL 0.529 0.302 7 0 "[ . 1 . 2]"
1 46 LYS 0.410 0.198 5 0 "[ . 1 . 2]"
1 47 ARG 0.638 0.404 1 0 "[ . 1 . 2]"
1 48 GLN 0.144 0.124 2 0 "[ . 1 . 2]"
1 49 GLU 1.304 0.528 7 1 "[ . + 1 . 2]"
1 50 ILE 2.706 0.404 1 0 "[ . 1 . 2]"
1 51 GLU 3.620 0.477 1 0 "[ . 1 . 2]"
1 52 GLU 1.024 0.273 19 0 "[ . 1 . 2]"
1 53 GLU 1.447 0.404 1 0 "[ . 1 . 2]"
1 54 GLU 1.670 0.404 1 0 "[ . 1 . 2]"
1 55 ASP 2.141 0.509 4 1 "[ +. 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.107 0.087 10 0 "[ . 1 . 2]"
1 58 LEU 4.391 0.638 10 5 "[ *-. + * . *2]"
1 59 LYS 0.502 0.404 1 0 "[ . 1 . 2]"
1 60 ALA 1.633 0.267 7 0 "[ . 1 . 2]"
1 61 ALA 0.003 0.002 2 0 "[ . 1 . 2]"
1 62 ILE 1.032 0.244 3 0 "[ . 1 . 2]"
1 63 GLN 0.989 0.308 5 0 "[ . 1 . 2]"
1 64 GLU 2.540 0.389 7 0 "[ . 1 . 2]"
1 65 SER 2.492 0.389 7 0 "[ . 1 . 2]"
1 66 LEU 6.920 0.613 3 2 "[ + . 1 - . 2]"
1 67 ARG 3.256 0.267 7 0 "[ . 1 . 2]"
1 68 GLU 0.203 0.111 8 0 "[ . 1 . 2]"
1 69 ALA 1.896 0.267 7 0 "[ . 1 . 2]"
1 70 GLU 0.286 0.113 6 0 "[ . 1 . 2]"
1 71 GLU 0.536 0.165 20 0 "[ . 1 . 2]"
1 72 ALA 0.343 0.111 8 0 "[ . 1 . 2]"
1 73 LYS 2.654 0.602 16 3 "[ . *- 1 .+ 2]"
1 74 LEU 2.905 0.267 7 0 "[ . 1 . 2]"
1 75 ARG 0.313 0.165 20 0 "[ . 1 . 2]"
1 76 SER 0.238 0.092 4 0 "[ . 1 . 2]"
1 77 GLU 0.397 0.111 8 0 "[ . 1 . 2]"
1 78 ARG 3.403 0.595 11 2 "[ -. 1+ . 2]"
1 79 GLN 0.208 0.081 13 0 "[ . 1 . 2]"
1 80 LYS 0.165 0.061 6 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 35 ILE HB 1 36 VAL H 3.600 . 5.200 3.824 2.781 4.605 . 0 0 "[ . 1 . 2]" 1
2 1 36 VAL H 1 36 VAL HB 2.800 . 3.800 3.260 2.531 3.827 0.027 3 0 "[ . 1 . 2]" 1
3 1 35 ILE HA 1 36 VAL H 2.200 . 2.800 2.280 2.147 2.811 0.011 13 0 "[ . 1 . 2]" 1
4 1 35 ILE MG 1 36 VAL H 3.000 . 4.100 3.371 2.000 4.028 . 0 0 "[ . 1 . 2]" 1
5 1 45 VAL HA 1 46 LYS H 2.300 . 3.000 2.304 2.130 2.845 . 0 0 "[ . 1 . 2]" 1
6 1 45 VAL HB 1 46 LYS H 3.900 . 5.800 3.972 2.869 4.450 . 0 0 "[ . 1 . 2]" 1
7 1 46 LYS H 1 46 LYS QB 2.700 . 3.600 2.869 2.290 3.371 . 0 0 "[ . 1 . 2]" 1
8 1 46 LYS H 1 46 LYS QG 3.900 . 5.800 3.308 2.012 4.316 . 0 0 "[ . 1 . 2]" 1
9 1 45 VAL MG1 1 46 LYS H 3.500 . 5.000 3.338 1.802 4.381 0.198 5 0 "[ . 1 . 2]" 1
10 1 39 VAL MG1 1 40 GLU H 3.300 . 4.700 3.692 1.682 4.367 0.218 14 0 "[ . 1 . 2]" 1
11 1 40 GLU H 1 40 GLU HB3 3.000 . 4.100 3.291 2.536 4.122 0.022 14 0 "[ . 1 . 2]" 1
12 1 40 GLU H 1 40 GLU HG3 3.600 . 5.300 3.901 2.370 5.179 . 0 0 "[ . 1 . 2]" 1
13 1 39 VAL HA 1 40 GLU H 2.300 . 3.000 2.464 2.137 3.058 0.058 17 0 "[ . 1 . 2]" 1
14 1 30 ALA H 1 30 ALA MB 3.000 . 4.100 2.665 2.044 2.961 . 0 0 "[ . 1 . 2]" 1
15 1 29 SER HB3 1 30 ALA H 3.800 . 5.600 3.273 1.711 4.457 0.289 16 0 "[ . 1 . 2]" 1
16 1 39 VAL H 1 40 GLU H 3.600 . 5.200 3.768 2.389 4.601 . 0 0 "[ . 1 . 2]" 1
17 1 45 VAL H 1 46 LYS H 3.600 . 5.200 4.161 2.451 4.627 . 0 0 "[ . 1 . 2]" 1
18 1 39 VAL H 1 39 VAL MG1 2.700 . 3.600 2.997 2.092 4.027 0.427 7 0 "[ . 1 . 2]" 1
19 1 38 VAL HA 1 39 VAL H 2.100 . 2.700 2.314 2.133 2.781 0.081 14 0 "[ . 1 . 2]" 1
20 1 39 VAL H 1 41 SER H 3.600 . 6.000 5.313 3.015 6.099 0.099 11 0 "[ . 1 . 2]" 1
21 1 50 ILE MG 1 51 GLU H 3.400 . 4.800 3.461 2.057 4.372 . 0 0 "[ . 1 . 2]" 1
22 1 51 GLU H 1 51 GLU HB3 2.700 . 3.600 3.377 2.455 4.077 0.477 1 0 "[ . 1 . 2]" 1
23 1 51 GLU H 1 51 GLU HB2 3.000 . 4.100 3.024 2.481 3.974 . 0 0 "[ . 1 . 2]" 1
24 1 51 GLU H 1 51 GLU QG 3.200 . 4.500 3.355 2.014 4.476 . 0 0 "[ . 1 . 2]" 1
25 1 50 ILE HA 1 51 GLU H 2.300 . 3.000 2.449 2.102 3.046 0.046 11 0 "[ . 1 . 2]" 1
26 1 51 GLU H 1 51 GLU HA 2.900 . 4.000 2.744 2.267 2.942 . 0 0 "[ . 1 . 2]" 1
27 1 33 GLU H 1 34 PRO HB3 3.000 . 6.000 5.237 4.156 6.062 0.062 18 0 "[ . 1 . 2]" 1
28 1 33 GLU H 1 34 PRO QG 3.900 . 5.800 4.014 3.179 4.627 . 0 0 "[ . 1 . 2]" 1
29 1 33 GLU H 1 34 PRO HB2 4.000 . 6.000 5.739 5.235 6.061 0.061 2 0 "[ . 1 . 2]" 1
30 1 32 SER HA 1 33 GLU H 2.600 . 3.400 2.685 2.133 3.504 0.104 17 0 "[ . 1 . 2]" 1
31 1 66 LEU H 1 66 LEU HB2 2.900 . 4.000 2.714 2.382 3.612 . 0 0 "[ . 1 . 2]" 1
32 1 66 LEU H 1 66 LEU HG 2.200 . 2.800 2.215 1.989 2.480 . 0 0 "[ . 1 . 2]" 1
33 1 65 SER QB 1 66 LEU H 2.900 . 3.900 2.687 2.360 3.332 . 0 0 "[ . 1 . 2]" 1
34 1 63 GLN HA 1 66 LEU H 3.300 . 4.700 3.664 3.459 3.879 . 0 0 "[ . 1 . 2]" 1
35 1 66 LEU H 1 66 LEU HA 2.700 . 3.600 2.815 2.798 2.851 . 0 0 "[ . 1 . 2]" 1
36 1 65 SER HA 1 66 LEU H 2.900 . 4.000 3.549 3.533 3.567 . 0 0 "[ . 1 . 2]" 1
37 1 66 LEU H 1 66 LEU QD 3.400 . 4.800 3.041 2.981 3.199 . 0 0 "[ . 1 . 2]" 1
38 1 55 ASP H 1 58 LEU QB 3.500 . 5.100 4.028 3.000 5.098 . 0 0 "[ . 1 . 2]" 1
39 1 54 GLU HB2 1 55 ASP H 3.400 . 4.800 4.313 4.042 4.645 . 0 0 "[ . 1 . 2]" 1
40 1 54 GLU HB3 1 55 ASP H 3.500 . 5.000 4.117 3.006 4.679 . 0 0 "[ . 1 . 2]" 1
41 1 54 GLU QG 1 55 ASP H 3.400 . 4.900 4.082 2.495 4.793 . 0 0 "[ . 1 . 2]" 1
42 1 55 ASP H 1 55 ASP HB3 2.800 . 3.800 3.450 2.496 4.009 0.209 19 0 "[ . 1 . 2]" 1
43 1 47 ARG H 1 47 ARG QG 3.400 . 4.800 3.191 1.946 4.468 0.054 4 0 "[ . 1 . 2]" 1
44 1 55 ASP H 1 56 PRO QD 4.100 . 6.000 3.762 2.144 4.394 . 0 0 "[ . 1 . 2]" 1
45 1 54 GLU HA 1 55 ASP H 2.400 . 3.100 2.468 2.127 2.914 . 0 0 "[ . 1 . 2]" 1
46 1 55 ASP H 1 55 ASP HA 2.900 . 3.900 2.782 2.277 2.944 . 0 0 "[ . 1 . 2]" 1
47 1 41 SER HA 1 42 LYS H 2.400 . 3.100 2.515 2.142 3.110 0.010 20 0 "[ . 1 . 2]" 1
48 1 41 SER QB 1 42 LYS H 3.700 . 5.400 3.545 1.844 4.054 0.156 18 0 "[ . 1 . 2]" 1
49 1 54 GLU H 1 55 ASP H 3.000 . 4.100 3.389 2.193 4.187 0.087 18 0 "[ . 1 . 2]" 1
50 1 18 ALA H 1 18 ALA MB 2.300 . 2.900 2.127 2.027 2.233 . 0 0 "[ . 1 . 2]" 1
51 1 58 LEU H 1 58 LEU QB 2.200 . 2.800 2.296 2.173 2.482 . 0 0 "[ . 1 . 2]" 1
52 1 17 LYS QB 1 18 ALA H 2.600 . 3.500 2.566 2.440 3.455 . 0 0 "[ . 1 . 2]" 1
53 1 57 ASP HB2 1 58 LEU H 2.900 . 3.900 3.618 2.461 3.987 0.087 10 0 "[ . 1 . 2]" 1
54 1 15 ILE HA 1 18 ALA H 3.200 . 4.500 3.601 3.425 3.784 . 0 0 "[ . 1 . 2]" 1
55 1 57 ASP HA 1 58 LEU H 3.100 . 4.300 3.542 3.517 3.570 . 0 0 "[ . 1 . 2]" 1
56 1 18 ALA H 1 19 ILE H 2.500 . 3.300 2.743 2.681 2.813 . 0 0 "[ . 1 . 2]" 1
57 1 17 LYS H 1 18 ALA H 2.600 . 3.500 2.729 2.678 2.806 . 0 0 "[ . 1 . 2]" 1
58 1 57 ASP H 1 58 LEU H 2.500 . 3.300 2.714 2.547 2.812 . 0 0 "[ . 1 . 2]" 1
59 1 23 LEU H 1 23 LEU HB3 3.400 . 4.900 3.589 3.585 3.595 . 0 0 "[ . 1 . 2]" 1
60 1 23 LEU H 1 23 LEU HG 2.200 . 2.800 2.244 2.191 2.304 . 0 0 "[ . 1 . 2]" 1
61 1 22 SER QB 1 23 LEU H 2.900 . 3.900 2.579 2.389 3.368 . 0 0 "[ . 1 . 2]" 1
62 1 69 ALA H 1 69 ALA MB 2.300 . 3.000 2.133 2.027 2.236 . 0 0 "[ . 1 . 2]" 1
63 1 68 GLU QB 1 69 ALA H 2.700 . 3.600 2.528 2.434 2.668 . 0 0 "[ . 1 . 2]" 1
64 1 68 GLU HA 1 69 ALA H 2.900 . 4.000 3.540 3.511 3.558 . 0 0 "[ . 1 . 2]" 1
65 1 69 ALA H 1 69 ALA HA 2.500 . 3.300 2.810 2.800 2.822 . 0 0 "[ . 1 . 2]" 1
66 1 69 ALA H 1 70 GLU H 2.500 . 3.300 2.712 2.612 2.812 . 0 0 "[ . 1 . 2]" 1
67 1 68 GLU H 1 69 ALA H 2.700 . 3.600 2.693 2.564 2.745 . 0 0 "[ . 1 . 2]" 1
68 1 80 LYS H 1 80 LYS HB2 3.300 . 4.600 3.131 2.378 3.981 . 0 0 "[ . 1 . 2]" 1
69 1 80 LYS H 1 80 LYS HB3 3.900 . 5.800 3.218 2.473 4.108 . 0 0 "[ . 1 . 2]" 1
70 1 49 GLU H 1 49 GLU HB2 2.600 . 3.500 3.055 2.381 4.028 0.528 7 1 "[ . + 1 . 2]" 1
71 1 49 GLU H 1 49 GLU QG 3.100 . 4.300 3.393 2.123 4.276 . 0 0 "[ . 1 . 2]" 1
72 1 49 GLU H 1 50 ILE H 3.200 . 4.500 3.867 2.455 4.579 0.079 15 0 "[ . 1 . 2]" 1
73 1 45 VAL H 1 45 VAL QG 2.900 . 3.900 2.192 1.895 2.656 0.005 10 0 "[ . 1 . 2]" 1
74 1 27 ARG H 1 27 ARG HG2 3.300 . 4.700 3.790 1.922 4.600 . 0 0 "[ . 1 . 2]" 1
75 1 27 ARG H 1 27 ARG HB2 2.900 . 3.900 2.714 2.187 3.449 . 0 0 "[ . 1 . 2]" 1
76 1 26 SER QB 1 27 ARG H 3.700 . 5.400 3.326 2.143 4.046 . 0 0 "[ . 1 . 2]" 1
77 1 71 GLU H 1 72 ALA H 2.700 . 3.600 2.705 2.561 2.813 . 0 0 "[ . 1 . 2]" 1
78 1 47 ARG HB2 1 48 GLN H 3.300 . 4.700 3.868 2.101 4.658 . 0 0 "[ . 1 . 2]" 1
79 1 47 ARG HB3 1 48 GLN H 3.700 . 5.400 3.634 1.876 4.612 0.124 2 0 "[ . 1 . 2]" 1
80 1 10 ASP QB 1 11 GLU H 2.800 . 3.800 1.921 1.730 3.140 0.070 17 0 "[ . 1 . 2]" 1
81 1 11 GLU H 1 11 GLU HA 2.700 . 3.600 2.811 2.744 2.919 . 0 0 "[ . 1 . 2]" 1
82 1 10 ASP HA 1 11 GLU H 2.700 . 3.600 3.230 3.023 3.572 . 0 0 "[ . 1 . 2]" 1
83 1 43 ASN HA 1 44 GLU H 2.600 . 3.400 2.630 2.146 3.284 . 0 0 "[ . 1 . 2]" 1
84 1 10 ASP H 1 13 GLU HA 2.900 . 6.000 5.415 4.129 6.023 0.023 13 0 "[ . 1 . 2]" 1
85 1 37 PRO HA 1 38 VAL H 2.200 . 2.800 2.348 2.138 2.844 0.044 6 0 "[ . 1 . 2]" 1
86 1 10 ASP H 1 10 ASP HA 2.900 . 4.000 2.607 2.263 2.934 . 0 0 "[ . 1 . 2]" 1
87 1 72 ALA H 1 72 ALA MB 2.300 . 3.000 2.136 2.023 2.231 . 0 0 "[ . 1 . 2]" 1
88 1 76 SER QB 1 77 GLU H 3.300 . 4.600 3.092 1.983 3.982 0.017 18 0 "[ . 1 . 2]" 1
89 1 77 GLU H 1 77 GLU HA 2.600 . 3.500 2.653 2.265 2.923 . 0 0 "[ . 1 . 2]" 1
90 1 76 SER HA 1 77 GLU H 3.000 . 4.100 2.685 2.141 3.561 . 0 0 "[ . 1 . 2]" 1
91 1 77 GLU H 1 77 GLU HG3 3.600 . 5.200 4.216 2.839 5.069 . 0 0 "[ . 1 . 2]" 1
92 1 59 LYS QB 1 60 ALA H 2.700 . 3.600 2.499 2.396 2.689 . 0 0 "[ . 1 . 2]" 1
93 1 19 ILE HA 1 20 GLU H 3.000 . 4.100 3.549 3.523 3.577 . 0 0 "[ . 1 . 2]" 1
94 1 20 GLU H 1 20 GLU HA 2.500 . 3.300 2.802 2.788 2.817 . 0 0 "[ . 1 . 2]" 1
95 1 35 ILE H 1 35 ILE MD 3.500 . 5.000 2.632 1.917 3.680 0.083 16 0 "[ . 1 . 2]" 1
96 1 35 ILE H 1 35 ILE HG12 3.400 . 4.800 3.477 1.990 4.782 0.010 7 0 "[ . 1 . 2]" 1
97 1 35 ILE H 1 35 ILE HG13 3.400 . 4.900 3.464 2.022 4.815 . 0 0 "[ . 1 . 2]" 1
98 1 35 ILE H 1 35 ILE HB 2.800 . 3.800 3.158 2.445 3.834 0.034 6 0 "[ . 1 . 2]" 1
99 1 38 VAL H 1 38 VAL QG 2.900 . 3.900 2.408 1.872 3.251 0.028 11 0 "[ . 1 . 2]" 1
100 1 10 ASP H 1 10 ASP QB 2.500 . 3.300 3.001 2.210 3.350 0.050 14 0 "[ . 1 . 2]" 1
101 1 64 GLU H 1 64 GLU QB 2.200 . 2.800 2.354 2.244 2.541 . 0 0 "[ . 1 . 2]" 1
102 1 64 GLU H 1 64 GLU QG 3.200 . 4.400 3.080 2.056 4.035 . 0 0 "[ . 1 . 2]" 1
103 1 4 ASP H 1 4 ASP HB3 3.100 . 4.300 3.353 2.508 4.015 . 0 0 "[ . 1 . 2]" 1
104 1 63 GLN H 1 63 GLN QG 3.100 . 4.300 3.437 2.069 4.032 . 0 0 "[ . 1 . 2]" 1
105 1 20 GLU H 1 20 GLU HG3 3.300 . 4.700 3.759 2.119 4.586 . 0 0 "[ . 1 . 2]" 1
106 1 20 GLU H 1 20 GLU QB 2.300 . 3.000 2.373 2.224 2.525 . 0 0 "[ . 1 . 2]" 1
107 1 19 ILE HB 1 20 GLU H 2.600 . 3.500 2.534 2.430 2.724 . 0 0 "[ . 1 . 2]" 1
108 1 50 ILE H 1 50 ILE HB 2.700 . 3.600 3.186 2.484 3.705 0.105 11 0 "[ . 1 . 2]" 1
109 1 49 GLU HB3 1 50 ILE H 3.500 . 5.000 3.888 2.142 4.455 . 0 0 "[ . 1 . 2]" 1
110 1 66 LEU HG 1 67 ARG H 2.900 . 6.000 3.939 2.377 4.483 . 0 0 "[ . 1 . 2]" 1
111 1 20 GLU H 1 20 GLU HG2 3.300 . 4.600 3.370 2.055 4.606 0.006 18 0 "[ . 1 . 2]" 1
112 1 10 ASP H 1 13 GLU QB 3.200 . 4.500 3.210 2.100 3.886 . 0 0 "[ . 1 . 2]" 1
113 1 9 GLU QB 1 10 ASP H 2.900 . 3.900 3.049 1.789 3.906 0.111 3 0 "[ . 1 . 2]" 1
114 1 50 ILE H 1 50 ILE HA 3.000 . 4.100 2.859 2.269 2.950 . 0 0 "[ . 1 . 2]" 1
115 1 62 ILE HA 1 63 GLN H 3.000 . 4.100 3.545 3.513 3.563 . 0 0 "[ . 1 . 2]" 1
116 1 49 GLU HA 1 50 ILE H 2.300 . 3.000 2.367 2.142 3.048 0.048 6 0 "[ . 1 . 2]" 1
117 1 50 ILE H 1 50 ILE MG 3.400 . 4.800 3.040 2.094 4.075 . 0 0 "[ . 1 . 2]" 1
118 1 50 ILE H 1 50 ILE HG13 3.300 . 4.700 3.623 1.975 4.814 0.114 15 0 "[ . 1 . 2]" 1
119 1 50 ILE H 1 50 ILE HG12 3.400 . 4.800 3.381 1.874 4.696 0.126 10 0 "[ . 1 . 2]" 1
120 1 15 ILE MG 1 16 ARG H 3.500 . 5.000 3.379 2.915 3.520 . 0 0 "[ . 1 . 2]" 1
121 1 16 ARG H 1 16 ARG HG2 3.600 . 5.200 3.684 2.011 4.612 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU HB2 1 15 ILE H 2.900 . 4.000 2.542 2.420 2.728 . 0 0 "[ . 1 . 2]" 1
123 1 15 ILE H 1 15 ILE HG13 2.400 . 3.100 2.052 1.944 2.207 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE H 1 15 ILE HG12 3.500 . 5.000 3.314 3.252 3.462 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE H 1 15 ILE MD 3.600 . 5.200 3.556 3.465 3.610 . 0 0 "[ . 1 . 2]" 1
126 1 63 GLN HA 1 64 GLU H 2.800 . 3.800 3.545 3.527 3.569 . 0 0 "[ . 1 . 2]" 1
127 1 64 GLU H 1 64 GLU HA 2.400 . 3.100 2.815 2.797 2.847 . 0 0 "[ . 1 . 2]" 1
128 1 15 ILE HA 1 16 ARG H 3.200 . 4.500 3.552 3.534 3.573 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE H 1 15 ILE HA 2.700 . 3.600 2.799 2.786 2.825 . 0 0 "[ . 1 . 2]" 1
130 1 23 LEU HA 1 24 LYS H 2.800 . 3.800 3.537 3.505 3.569 . 0 0 "[ . 1 . 2]" 1
131 1 13 GLU H 1 13 GLU HA 2.600 . 3.400 2.798 2.784 2.817 . 0 0 "[ . 1 . 2]" 1
132 1 20 GLU QB 1 21 LEU H 2.600 . 3.400 2.531 2.264 3.329 . 0 0 "[ . 1 . 2]" 1
133 1 78 ARG H 1 78 ARG HB3 2.600 . 3.500 3.372 2.511 4.095 0.595 11 2 "[ -. 1+ . 2]" 1
134 1 70 GLU H 1 70 GLU QG 3.000 . 4.100 3.772 2.159 4.031 . 0 0 "[ . 1 . 2]" 1
135 1 71 GLU H 1 71 GLU HG2 3.300 . 4.600 3.925 2.167 4.603 0.003 14 0 "[ . 1 . 2]" 1
136 1 67 ARG QB 1 68 GLU H 2.700 . 3.600 2.535 2.406 3.391 . 0 0 "[ . 1 . 2]" 1
137 1 24 LYS QB 1 25 GLU H 2.900 . 3.900 2.596 2.343 3.588 . 0 0 "[ . 1 . 2]" 1
138 1 25 GLU H 1 25 GLU HB2 2.500 . 3.300 2.880 2.292 3.878 0.578 14 1 "[ . 1 +. 2]" 1
139 1 25 GLU H 1 25 GLU HG2 3.300 . 4.700 3.996 2.050 5.083 0.383 7 0 "[ . 1 . 2]" 1
140 1 57 ASP H 1 57 ASP HB2 2.400 . 3.100 2.527 2.431 2.608 . 0 0 "[ . 1 . 2]" 1
141 1 17 LYS H 1 17 LYS QB 2.200 . 2.800 2.318 2.184 2.534 . 0 0 "[ . 1 . 2]" 1
142 1 56 PRO HB2 1 57 ASP H 2.700 . 3.600 2.325 2.000 2.745 . 0 0 "[ . 1 . 2]" 1
143 1 72 ALA H 1 73 LYS H 2.700 . 3.600 2.752 2.623 2.856 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLU H 1 10 ASP H 3.000 . 4.100 3.206 2.043 4.154 0.054 17 0 "[ . 1 . 2]" 1
145 1 50 ILE H 1 51 GLU H 3.100 . 4.300 3.850 2.227 4.423 0.123 12 0 "[ . 1 . 2]" 1
146 1 4 ASP HB3 1 5 TYR H 3.500 . 5.100 3.636 1.700 4.641 0.200 10 0 "[ . 1 . 2]" 1
147 1 5 TYR H 1 5 TYR HB2 3.100 . 4.300 3.146 2.445 3.650 . 0 0 "[ . 1 . 2]" 1
148 1 5 TYR H 1 5 TYR HB3 3.300 . 4.700 3.551 2.576 4.104 . 0 0 "[ . 1 . 2]" 1
149 1 62 ILE H 1 62 ILE HA 2.600 . 3.400 2.813 2.799 2.828 . 0 0 "[ . 1 . 2]" 1
150 1 19 ILE H 1 19 ILE HA 2.500 . 3.300 2.807 2.790 2.823 . 0 0 "[ . 1 . 2]" 1
151 1 10 ASP HA 1 13 GLU H 3.900 . 5.800 4.542 4.084 5.028 . 0 0 "[ . 1 . 2]" 1
152 1 9 GLU H 1 13 GLU QB 3.300 . 4.700 2.435 1.935 3.614 . 0 0 "[ . 1 . 2]" 1
153 1 8 PRO HD3 1 9 GLU H 3.400 . 6.000 5.476 4.951 5.767 . 0 0 "[ . 1 . 2]" 1
154 1 9 GLU H 1 13 GLU HA 3.100 . 4.300 4.028 2.793 4.376 0.076 19 0 "[ . 1 . 2]" 1
155 1 8 PRO HA 1 9 GLU H 2.500 . 3.300 2.521 2.156 3.119 . 0 0 "[ . 1 . 2]" 1
156 1 27 ARG HA 1 28 ASN H 3.500 . 5.000 2.722 2.155 3.571 . 0 0 "[ . 1 . 2]" 1
157 1 57 ASP H 1 57 ASP HA 2.700 . 3.600 2.805 2.760 2.853 . 0 0 "[ . 1 . 2]" 1
158 1 56 PRO QD 1 57 ASP H 2.700 . 3.600 2.614 2.279 2.819 . 0 0 "[ . 1 . 2]" 1
159 1 24 LYS H 1 25 GLU H 2.700 . 3.600 2.774 2.661 2.885 . 0 0 "[ . 1 . 2]" 1
160 1 58 LEU H 1 59 LYS H 2.400 . 3.100 2.778 2.647 2.938 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU H 1 14 LEU HG 2.200 . 2.800 2.242 2.116 2.905 0.105 19 0 "[ . 1 . 2]" 1
162 1 74 LEU H 1 74 LEU HB2 2.300 . 2.900 2.442 2.276 2.546 . 0 0 "[ . 1 . 2]" 1
163 1 13 GLU HA 1 14 LEU H 2.800 . 3.700 3.554 3.534 3.574 . 0 0 "[ . 1 . 2]" 1
164 1 59 LYS H 1 59 LYS HA 2.700 . 3.600 2.793 2.766 2.806 . 0 0 "[ . 1 . 2]" 1
165 1 55 ASP HA 1 57 ASP H 3.700 . 5.400 4.051 3.330 4.429 . 0 0 "[ . 1 . 2]" 1
166 1 72 ALA MB 1 73 LYS H 2.500 . 3.300 2.511 2.310 2.678 . 0 0 "[ . 1 . 2]" 1
167 1 73 LYS H 1 73 LYS HB3 2.300 . 3.000 2.688 2.469 3.602 0.602 16 3 "[ . *- 1 .+ 2]" 1
168 1 59 LYS H 1 59 LYS QB 2.100 . 2.700 2.306 2.221 2.481 . 0 0 "[ . 1 . 2]" 1
169 1 75 ARG H 1 75 ARG QB 2.200 . 2.800 2.304 2.236 2.529 . 0 0 "[ . 1 . 2]" 1
170 1 74 LEU HB3 1 75 ARG H 2.700 . 3.600 2.654 2.335 3.526 . 0 0 "[ . 1 . 2]" 1
171 1 58 LEU QB 1 59 LYS H 2.500 . 3.300 2.458 2.199 2.777 . 0 0 "[ . 1 . 2]" 1
172 1 59 LYS H 1 59 LYS HG2 3.800 . 5.600 4.149 3.290 4.615 . 0 0 "[ . 1 . 2]" 1
173 1 13 GLU H 1 14 LEU H 2.300 . 2.900 2.774 2.712 2.894 . 0 0 "[ . 1 . 2]" 1
174 1 12 GLU H 1 12 GLU HG3 3.300 . 4.700 3.624 2.019 4.495 . 0 0 "[ . 1 . 2]" 1
175 1 71 GLU H 1 73 LYS H 4.200 . 6.000 4.265 4.087 4.548 . 0 0 "[ . 1 . 2]" 1
176 1 57 ASP H 1 59 LYS H 3.800 . 5.600 4.329 3.927 4.815 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU H 1 14 LEU MD2 3.300 . 4.700 3.247 3.114 3.899 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU H 1 14 LEU HB2 2.500 . 3.300 2.519 2.438 2.581 . 0 0 "[ . 1 . 2]" 1
179 1 14 LEU H 1 14 LEU HB3 2.500 . 6.000 3.587 3.561 3.594 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLU QB 1 14 LEU H 2.500 . 3.300 2.455 2.221 3.346 0.046 14 0 "[ . 1 . 2]" 1
181 1 13 GLU QG 1 14 LEU H 3.500 . 5.000 3.404 1.973 4.161 0.027 14 0 "[ . 1 . 2]" 1
182 1 13 GLU H 1 13 GLU QB 3.000 . 4.200 2.258 2.236 2.505 . 0 0 "[ . 1 . 2]" 1
183 1 78 ARG H 1 78 ARG QG 3.000 . 4.100 3.025 1.931 4.193 0.093 5 0 "[ . 1 . 2]" 1
184 1 10 ASP QB 1 13 GLU H 3.700 . 5.400 4.374 3.936 5.358 . 0 0 "[ . 1 . 2]" 1
185 1 6 SER HA 1 7 THR H 2.600 . 3.400 2.737 2.152 3.525 0.125 7 0 "[ . 1 . 2]" 1
186 1 40 GLU HA 1 41 SER H 2.400 . 3.100 2.690 2.125 3.175 0.075 17 0 "[ . 1 . 2]" 1
187 1 41 SER H 1 41 SER QB 3.000 . 4.200 2.620 2.254 3.350 . 0 0 "[ . 1 . 2]" 1
188 1 39 VAL QG 1 41 SER H 3.900 . 5.800 3.727 2.000 5.098 0.000 7 0 "[ . 1 . 2]" 1
189 1 40 GLU HB3 1 41 SER H 4.700 . 6.000 4.264 3.327 4.650 . 0 0 "[ . 1 . 2]" 1
190 1 7 THR H 1 7 THR MG 3.100 . 4.300 2.579 1.958 4.016 . 0 0 "[ . 1 . 2]" 1
191 1 2 ASP QB 1 7 THR H 3.100 . 4.300 3.800 1.978 4.239 . 0 0 "[ . 1 . 2]" 1
192 1 5 TYR HB2 1 6 SER H 3.800 . 5.600 4.029 2.188 4.670 . 0 0 "[ . 1 . 2]" 1
193 1 6 SER H 1 6 SER HB3 2.900 . 4.000 3.408 2.483 4.031 0.031 14 0 "[ . 1 . 2]" 1
194 1 7 THR H 1 7 THR HB 3.100 . 4.300 3.249 2.538 4.068 . 0 0 "[ . 1 . 2]" 1
195 1 6 SER H 1 6 SER HA 3.000 . 4.100 2.711 2.265 2.920 . 0 0 "[ . 1 . 2]" 1
196 1 5 TYR HA 1 6 SER H 2.700 . 3.600 2.930 2.152 3.583 . 0 0 "[ . 1 . 2]" 1
197 1 5 TYR HB3 1 6 SER H 4.200 . 6.000 3.766 2.544 4.451 . 0 0 "[ . 1 . 2]" 1
198 1 5 TYR H 1 6 SER H 3.300 . 4.600 2.956 1.971 4.608 0.029 4 0 "[ . 1 . 2]" 1
199 1 80 LYS HA 1 81 ALA H 3.400 . 4.800 2.944 2.161 3.561 . 0 0 "[ . 1 . 2]" 1
200 1 29 SER H 1 29 SER QB 3.400 . 4.900 2.754 2.258 3.376 . 0 0 "[ . 1 . 2]" 1
201 1 65 SER H 1 65 SER QB 2.300 . 3.000 2.397 2.261 2.527 . 0 0 "[ . 1 . 2]" 1
202 1 64 GLU HA 1 65 SER H 2.600 . 3.500 3.528 3.489 3.545 0.045 5 0 "[ . 1 . 2]" 1
203 1 65 SER H 1 65 SER HA 2.500 . 3.300 2.811 2.798 2.823 . 0 0 "[ . 1 . 2]" 1
204 1 26 SER H 1 26 SER HA 2.700 . 3.600 2.720 2.259 2.923 . 0 0 "[ . 1 . 2]" 1
205 1 29 SER H 1 29 SER HB3 3.700 . 5.400 3.370 2.508 4.079 . 0 0 "[ . 1 . 2]" 1
206 1 25 GLU HB2 1 26 SER H 2.900 . 4.000 3.765 2.194 4.462 0.462 14 0 "[ . 1 . 2]" 1
207 1 64 GLU H 1 65 SER H 2.500 . 3.300 2.665 2.505 2.756 . 0 0 "[ . 1 . 2]" 1
208 1 21 LEU QB 1 22 SER H 2.800 . 3.800 2.528 2.379 2.707 . 0 0 "[ . 1 . 2]" 1
209 1 75 ARG QB 1 76 SER H 2.900 . 4.000 2.571 2.207 3.460 . 0 0 "[ . 1 . 2]" 1
210 1 19 ILE HA 1 22 SER H 3.400 . 4.800 3.588 3.234 3.765 . 0 0 "[ . 1 . 2]" 1
211 1 22 SER H 1 22 SER HA 2.600 . 3.500 2.808 2.779 2.837 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU H 1 22 SER H 2.100 . 2.700 2.698 2.622 2.732 0.032 6 0 "[ . 1 . 2]" 1
213 1 76 SER H 1 76 SER QB 2.500 . 3.300 2.414 2.259 2.901 . 0 0 "[ . 1 . 2]" 1
214 1 30 ALA MB 1 31 SER H 4.000 . 6.000 3.161 2.501 3.715 . 0 0 "[ . 1 . 2]" 1
215 1 31 SER H 1 31 SER QB 3.200 . 4.400 2.869 2.259 3.362 . 0 0 "[ . 1 . 2]" 1
216 1 30 ALA HA 1 31 SER H 2.900 . 3.900 2.655 2.143 3.561 . 0 0 "[ . 1 . 2]" 1
217 1 63 GLN H 1 64 GLU H 2.700 . 3.600 2.733 2.644 2.803 . 0 0 "[ . 1 . 2]" 1
218 1 15 ILE H 1 16 ARG H 2.400 . 3.100 2.762 2.614 2.897 . 0 0 "[ . 1 . 2]" 1
219 1 70 GLU H 1 71 GLU H 2.400 . 3.100 2.725 2.663 2.797 . 0 0 "[ . 1 . 2]" 1
220 1 61 ALA H 1 62 ILE H 2.300 . 3.000 2.753 2.686 2.858 . 0 0 "[ . 1 . 2]" 1
221 1 73 LYS H 1 74 LEU H 2.200 . 2.800 2.661 2.547 2.752 . 0 0 "[ . 1 . 2]" 1
222 1 74 LEU H 1 75 ARG H 2.300 . 2.900 2.765 2.657 2.845 . 0 0 "[ . 1 . 2]" 1
223 1 44 GLU H 1 45 VAL H 2.600 . 3.400 2.658 2.052 3.380 . 0 0 "[ . 1 . 2]" 1
224 1 47 ARG H 1 47 ARG HB2 3.000 . 4.100 2.980 2.380 4.058 . 0 0 "[ . 1 . 2]" 1
225 1 65 SER HA 1 69 ALA H 3.600 . 5.300 4.163 3.870 4.379 . 0 0 "[ . 1 . 2]" 1
226 1 55 ASP HA 1 58 LEU H 4.100 . 6.000 4.406 3.389 4.866 . 0 0 "[ . 1 . 2]" 1
227 1 16 ARG QB 1 16 ARG QD 2.800 . 3.800 2.349 2.119 2.777 . 0 0 "[ . 1 . 2]" 1
228 1 16 ARG QD 1 16 ARG HG3 2.600 . 3.400 2.288 2.166 2.391 . 0 0 "[ . 1 . 2]" 1
229 1 27 ARG HA 1 27 ARG QD 3.400 . 4.800 3.928 2.044 4.528 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU HB2 1 23 LEU QD 2.200 . 2.800 2.253 2.174 2.332 . 0 0 "[ . 1 . 2]" 1
231 1 58 LEU QB 1 58 LEU MD2 2.700 . 3.600 2.233 2.045 2.373 . 0 0 "[ . 1 . 2]" 1
232 1 55 ASP HB2 1 58 LEU QB 2.800 . 3.800 2.930 1.790 4.309 0.509 4 1 "[ +. 1 . 2]" 1
233 1 14 LEU HA 1 14 LEU HB3 2.500 . 3.300 2.463 2.441 2.493 . 0 0 "[ . 1 . 2]" 1
234 1 23 LEU HA 1 23 LEU HB2 2.900 . 4.000 3.019 3.017 3.021 . 0 0 "[ . 1 . 2]" 1
235 1 55 ASP HB3 1 58 LEU QB 3.200 . 4.400 3.045 1.772 4.416 0.228 15 0 "[ . 1 . 2]" 1
236 1 55 ASP HA 1 55 ASP HB3 2.900 . 3.900 2.609 2.392 3.029 . 0 0 "[ . 1 . 2]" 1
237 1 10 ASP HA 1 10 ASP QB 2.500 . 3.300 2.355 2.183 2.452 . 0 0 "[ . 1 . 2]" 1
238 1 57 ASP HA 1 57 ASP HB2 2.600 . 3.400 2.572 2.441 3.027 . 0 0 "[ . 1 . 2]" 1
239 1 7 THR HB 1 8 PRO HD3 3.100 . 4.300 4.057 3.514 4.409 0.109 6 0 "[ . 1 . 2]" 1
240 1 7 THR HA 1 7 THR HB 2.700 . 3.600 2.498 2.390 3.018 . 0 0 "[ . 1 . 2]" 1
241 1 5 TYR HA 1 5 TYR HB3 3.000 . 4.100 2.738 2.361 3.029 . 0 0 "[ . 1 . 2]" 1
242 1 5 TYR HA 1 5 TYR HB2 3.000 . 4.100 2.755 2.453 3.027 . 0 0 "[ . 1 . 2]" 1
243 1 56 PRO HA 1 59 LYS QB 2.800 . 3.800 3.109 2.681 3.424 . 0 0 "[ . 1 . 2]" 1
244 1 56 PRO HA 1 56 PRO HB3 2.600 . 3.400 2.290 2.272 2.303 . 0 0 "[ . 1 . 2]" 1
245 1 19 ILE HA 1 19 ILE MD 2.600 . 3.500 2.125 1.848 2.395 . 0 0 "[ . 1 . 2]" 1
246 1 15 ILE HA 1 15 ILE MG 2.300 . 3.000 2.366 2.277 2.456 . 0 0 "[ . 1 . 2]" 1
247 1 15 ILE HA 1 15 ILE HG13 2.700 . 3.600 3.017 2.916 3.042 . 0 0 "[ . 1 . 2]" 1
248 1 62 ILE HA 1 62 ILE MG 2.600 . 3.500 2.547 2.299 3.205 . 0 0 "[ . 1 . 2]" 1
249 1 62 ILE HA 1 62 ILE HG12 2.700 . 3.600 2.919 2.319 3.748 0.148 14 0 "[ . 1 . 2]" 1
250 1 62 ILE HA 1 62 ILE HG13 2.800 . 3.800 3.236 2.371 3.740 . 0 0 "[ . 1 . 2]" 1
251 1 62 ILE HA 1 62 ILE HB 2.900 . 3.900 2.912 2.415 3.024 . 0 0 "[ . 1 . 2]" 1
252 1 8 PRO HA 1 8 PRO HB3 2.500 . 3.300 2.293 2.270 2.322 . 0 0 "[ . 1 . 2]" 1
253 1 39 VAL HA 1 39 VAL QG 2.700 . 3.600 2.231 2.044 2.344 . 0 0 "[ . 1 . 2]" 1
254 1 48 GLN HA 1 48 GLN QG 3.200 . 4.400 2.718 2.424 3.487 . 0 0 "[ . 1 . 2]" 1
255 1 63 GLN HA 1 63 GLN QG 3.300 . 4.600 2.565 2.388 2.967 . 0 0 "[ . 1 . 2]" 1
256 1 13 GLU HA 1 13 GLU QG 2.700 . 3.600 2.750 2.452 3.342 . 0 0 "[ . 1 . 2]" 1
257 1 70 GLU HA 1 70 GLU QG 3.000 . 4.100 2.661 2.350 3.004 . 0 0 "[ . 1 . 2]" 1
258 1 39 VAL HA 1 39 VAL HB 2.700 . 3.600 2.629 2.433 3.022 . 0 0 "[ . 1 . 2]" 1
259 1 8 PRO HB2 1 8 PRO HD3 3.600 . 5.200 3.914 3.871 4.016 . 0 0 "[ . 1 . 2]" 1
260 1 56 PRO HB2 1 56 PRO QD 3.300 . 4.700 3.138 2.861 3.546 . 0 0 "[ . 1 . 2]" 1
261 1 73 LYS HA 1 73 LYS QB 2.400 . 3.100 2.357 2.174 2.444 . 0 0 "[ . 1 . 2]" 1
262 1 17 LYS QB 1 17 LYS HG2 2.200 . 2.800 2.313 2.163 2.395 . 0 0 "[ . 1 . 2]" 1
263 1 73 LYS HB2 1 73 LYS HG3 2.800 . 3.800 2.538 2.317 3.012 . 0 0 "[ . 1 . 2]" 1
264 1 73 LYS HB2 1 73 LYS HG2 2.600 . 3.500 2.831 2.437 3.013 . 0 0 "[ . 1 . 2]" 1
265 1 73 LYS HB2 1 73 LYS QD 2.600 . 3.500 2.646 2.332 3.524 0.024 15 0 "[ . 1 . 2]" 1
266 1 59 LYS QB 1 59 LYS HG3 2.400 . 3.100 2.325 2.152 2.373 . 0 0 "[ . 1 . 2]" 1
267 1 48 GLN HB2 1 48 GLN QG 2.300 . 2.900 2.299 2.159 2.367 . 0 0 "[ . 1 . 2]" 1
268 1 37 PRO HB2 1 37 PRO HG2 2.200 . 2.800 2.319 2.299 2.329 . 0 0 "[ . 1 . 2]" 1
269 1 50 ILE HA 1 50 ILE HG13 3.500 . 5.100 3.203 2.389 4.262 . 0 0 "[ . 1 . 2]" 1
270 1 35 ILE HA 1 35 ILE MG 2.900 . 3.900 2.532 2.049 3.205 . 0 0 "[ . 1 . 2]" 1
271 1 50 ILE HA 1 50 ILE MD 3.000 . 4.100 2.372 1.899 3.044 0.001 2 0 "[ . 1 . 2]" 1
272 1 16 ARG HA 1 16 ARG QB 2.500 . 3.300 2.356 2.183 2.516 . 0 0 "[ . 1 . 2]" 1
273 1 27 ARG HA 1 27 ARG HB3 2.700 . 3.600 2.719 2.398 3.025 . 0 0 "[ . 1 . 2]" 1
274 1 70 GLU HA 1 70 GLU QB 1.900 . 2.400 2.356 2.340 2.423 0.023 14 0 "[ . 1 . 2]" 1
275 1 48 GLN HA 1 48 GLN HB3 2.600 . 3.500 2.692 2.410 3.025 . 0 0 "[ . 1 . 2]" 1
276 1 8 PRO HA 1 8 PRO HG3 3.800 . 5.600 3.464 2.907 4.043 . 0 0 "[ . 1 . 2]" 1
277 1 8 PRO HD2 1 8 PRO HG3 2.900 . 3.900 2.889 2.675 3.001 . 0 0 "[ . 1 . 2]" 1
278 1 16 ARG HA 1 16 ARG HG3 3.000 . 4.100 3.146 2.557 3.819 . 0 0 "[ . 1 . 2]" 1
279 1 16 ARG QD 1 16 ARG HG2 2.600 . 3.400 2.308 2.168 2.407 . 0 0 "[ . 1 . 2]" 1
280 1 58 LEU HA 1 58 LEU HG 3.300 . 4.700 3.276 2.480 3.733 . 0 0 "[ . 1 . 2]" 1
281 1 19 ILE MD 1 19 ILE HG13 2.200 . 2.800 2.094 2.074 2.121 . 0 0 "[ . 1 . 2]" 1
282 1 19 ILE HB 1 19 ILE HG13 2.100 . 2.700 2.465 2.452 2.483 . 0 0 "[ . 1 . 2]" 1
283 1 63 GLN QB 1 63 GLN QG 1.900 . 2.400 2.049 1.996 2.087 . 0 0 "[ . 1 . 2]" 1
284 1 19 ILE HA 1 19 ILE HG13 2.900 . 4.000 3.402 2.987 3.735 . 0 0 "[ . 1 . 2]" 1
285 1 49 GLU HB2 1 49 GLU QG 2.400 . 3.100 2.317 2.144 2.429 . 0 0 "[ . 1 . 2]" 1
286 1 48 GLN HB3 1 48 GLN QG 2.100 . 2.700 2.316 2.161 2.360 . 0 0 "[ . 1 . 2]" 1
287 1 47 ARG HB3 1 47 ARG QG 2.100 . 2.600 2.288 2.163 2.369 . 0 0 "[ . 1 . 2]" 1
288 1 3 ARG QB 1 3 ARG QG 1.800 . 2.200 2.063 1.997 2.088 . 0 0 "[ . 1 . 2]" 1
289 1 8 PRO HB2 1 8 PRO HG3 2.300 . 2.900 2.862 2.659 2.996 0.096 20 0 "[ . 1 . 2]" 1
290 1 36 VAL HA 1 37 PRO HD3 2.300 . 3.000 2.380 1.780 3.302 0.302 13 0 "[ . 1 . 2]" 1
291 1 7 THR HA 1 8 PRO HD2 2.500 . 3.300 2.525 2.111 2.797 . 0 0 "[ . 1 . 2]" 1
292 1 76 SER HA 1 76 SER QB 2.200 . 2.800 2.325 2.186 2.381 . 0 0 "[ . 1 . 2]" 1
293 1 7 THR HA 1 7 THR MG 2.900 . 4.000 2.770 2.217 3.217 . 0 0 "[ . 1 . 2]" 1
294 1 36 VAL HA 1 36 VAL QG 2.800 . 3.800 2.184 2.051 2.369 . 0 0 "[ . 1 . 2]" 1
295 1 12 GLU HA 1 15 ILE MD 2.800 . 3.800 2.555 1.982 2.995 . 0 0 "[ . 1 . 2]" 1
296 1 16 ARG HA 1 16 ARG HG2 3.000 . 4.100 3.113 2.431 3.821 . 0 0 "[ . 1 . 2]" 1
297 1 59 LYS HA 1 59 LYS HG2 3.300 . 4.700 3.127 2.430 3.791 . 0 0 "[ . 1 . 2]" 1
298 1 14 LEU HA 1 14 LEU HG 2.900 . 4.000 3.113 2.479 3.198 . 0 0 "[ . 1 . 2]" 1
299 1 14 LEU HA 1 14 LEU HB2 2.800 . 3.800 3.019 3.017 3.022 . 0 0 "[ . 1 . 2]" 1
300 1 17 LYS HA 1 17 LYS QB 2.100 . 2.700 2.255 1.934 2.383 . 0 0 "[ . 1 . 2]" 1
301 1 73 LYS HA 1 73 LYS HG3 3.100 . 4.300 2.923 2.444 3.719 . 0 0 "[ . 1 . 2]" 1
302 1 67 ARG HA 1 67 ARG HG2 2.700 . 3.600 3.369 2.502 3.816 0.216 13 0 "[ . 1 . 2]" 1
303 1 64 GLU HA 1 67 ARG QB 2.300 . 2.900 2.722 2.469 2.977 0.077 13 0 "[ . 1 . 2]" 1
304 1 64 GLU HA 1 64 GLU QB 2.400 . 3.100 2.342 2.176 2.393 . 0 0 "[ . 1 . 2]" 1
305 1 64 GLU HA 1 64 GLU QG 2.800 . 3.800 2.688 2.405 3.340 . 0 0 "[ . 1 . 2]" 1
306 1 74 LEU HA 1 74 LEU HB2 2.300 . 2.900 2.580 2.426 3.006 0.106 5 0 "[ . 1 . 2]" 1
307 1 66 LEU HA 1 69 ALA MB 2.500 . 3.300 2.722 2.414 3.003 . 0 0 "[ . 1 . 2]" 1
308 1 77 GLU HA 1 77 GLU QB 3.200 . 4.500 2.351 2.180 2.451 . 0 0 "[ . 1 . 2]" 1
309 1 58 LEU HA 1 58 LEU QB 2.100 . 2.700 2.386 2.336 2.436 . 0 0 "[ . 1 . 2]" 1
310 1 27 ARG HA 1 27 ARG HB2 2.500 . 3.300 2.673 2.442 3.024 . 0 0 "[ . 1 . 2]" 1
311 1 57 ASP HA 1 60 ALA MB 3.000 . 4.100 2.791 2.322 3.371 . 0 0 "[ . 1 . 2]" 1
312 1 15 ILE MG 1 19 ILE HG13 2.400 . 3.100 2.974 2.559 3.383 0.283 20 0 "[ . 1 . 2]" 1
313 1 50 ILE HG12 1 50 ILE MG 3.100 . 4.300 2.504 2.129 3.206 . 0 0 "[ . 1 . 2]" 1
314 1 35 ILE HG13 1 35 ILE MG 3.100 . 4.300 2.930 2.252 3.207 . 0 0 "[ . 1 . 2]" 1
315 1 50 ILE HB 1 50 ILE MG 3.000 . 4.100 2.104 2.079 2.131 . 0 0 "[ . 1 . 2]" 1
316 1 35 ILE HB 1 35 ILE MG 3.000 . 4.100 2.105 2.079 2.130 . 0 0 "[ . 1 . 2]" 1
317 1 50 ILE HA 1 50 ILE MG 2.900 . 4.000 2.548 2.196 3.202 . 0 0 "[ . 1 . 2]" 1
318 1 15 ILE HA 1 18 ALA MB 2.700 . 3.600 2.714 2.308 2.921 . 0 0 "[ . 1 . 2]" 1
319 1 72 ALA HA 1 72 ALA MB 2.300 . 3.000 2.108 2.083 2.128 . 0 0 "[ . 1 . 2]" 1
320 1 37 PRO HD2 1 38 VAL QG 3.300 . 6.000 4.901 3.075 6.048 0.048 18 0 "[ . 1 . 2]" 1
321 1 8 PRO HD3 1 8 PRO HG3 2.800 . 3.800 2.309 2.276 2.334 . 0 0 "[ . 1 . 2]" 1
322 1 33 GLU HA 1 34 PRO HD3 2.700 . 3.600 2.927 2.582 3.380 . 0 0 "[ . 1 . 2]" 1
323 1 36 VAL HA 1 37 PRO HD2 2.600 . 3.400 2.393 2.065 2.956 . 0 0 "[ . 1 . 2]" 1
324 1 33 GLU HA 1 34 PRO HD2 2.500 . 3.300 2.566 2.094 3.055 . 0 0 "[ . 1 . 2]" 1
325 1 7 THR HB 1 8 PRO HD2 3.100 . 4.300 3.506 2.339 4.317 0.017 15 0 "[ . 1 . 2]" 1
326 1 37 PRO HD2 1 37 PRO HG2 2.800 . 3.800 2.307 2.279 2.325 . 0 0 "[ . 1 . 2]" 1
327 1 8 PRO HD3 1 8 PRO HG2 2.900 . 4.000 2.800 2.669 2.996 . 0 0 "[ . 1 . 2]" 1
328 1 7 THR MG 1 8 PRO HD3 3.700 . 5.400 4.110 2.728 4.651 . 0 0 "[ . 1 . 2]" 1
329 1 7 THR HA 1 8 PRO HD3 2.600 . 3.400 2.016 1.766 2.494 0.034 15 0 "[ . 1 . 2]" 1
330 1 55 ASP HA 1 56 PRO QD 2.200 . 2.800 2.046 1.780 2.541 . 0 0 "[ . 1 . 2]" 1
331 1 28 ASN HA 1 28 ASN HB2 3.000 . 4.100 2.670 2.450 3.027 . 0 0 "[ . 1 . 2]" 1
332 1 43 ASN HA 1 43 ASN HB3 3.000 . 4.100 2.689 2.428 3.027 . 0 0 "[ . 1 . 2]" 1
333 1 63 GLN HA 1 66 LEU HB3 2.700 . 3.600 3.233 2.171 3.908 0.308 5 0 "[ . 1 . 2]" 1
334 1 14 LEU HA 1 14 LEU MD2 2.500 . 3.300 2.136 1.823 3.593 0.293 19 0 "[ . 1 . 2]" 1
335 1 24 LYS HA 1 25 GLU HB2 2.500 . 6.000 5.373 4.249 6.032 0.032 14 0 "[ . 1 . 2]" 1
336 1 24 LYS HA 1 24 LYS HG3 3.300 . 4.700 3.035 2.449 3.764 . 0 0 "[ . 1 . 2]" 1
337 1 24 LYS HA 1 24 LYS HG2 3.300 . 4.700 3.047 2.385 3.785 . 0 0 "[ . 1 . 2]" 1
338 1 63 GLN HA 1 63 GLN QB 2.100 . 2.700 2.365 2.335 2.401 . 0 0 "[ . 1 . 2]" 1
339 1 16 ARG HA 1 16 ARG QD 3.800 . 5.600 3.376 2.031 4.269 . 0 0 "[ . 1 . 2]" 1
340 1 75 ARG HA 1 75 ARG QD 3.500 . 5.000 3.630 2.095 4.255 . 0 0 "[ . 1 . 2]" 1
341 1 23 LEU HA 1 23 LEU MD2 2.300 . 2.900 1.968 1.836 2.184 . 0 0 "[ . 1 . 2]" 1
342 1 58 LEU HA 1 58 LEU MD2 3.000 . 4.100 2.791 1.849 3.891 0.051 3 0 "[ . 1 . 2]" 1
343 1 18 ALA HA 1 21 LEU QD 3.200 . 4.500 3.067 2.426 3.664 . 0 0 "[ . 1 . 2]" 1
344 1 33 GLU HA 1 33 GLU HG3 3.600 . 5.200 3.022 2.538 3.776 . 0 0 "[ . 1 . 2]" 1
345 1 33 GLU HA 1 33 GLU QB 3.200 . 4.500 2.347 2.161 2.426 . 0 0 "[ . 1 . 2]" 1
346 1 60 ALA HA 1 63 GLN QB 2.700 . 3.600 2.730 2.486 2.975 . 0 0 "[ . 1 . 2]" 1
347 1 18 ALA HA 1 21 LEU QB 3.000 . 4.100 2.888 2.521 3.196 . 0 0 "[ . 1 . 2]" 1
348 1 72 ALA HA 1 75 ARG QB 2.900 . 3.900 3.077 2.549 3.515 . 0 0 "[ . 1 . 2]" 1
349 1 79 GLN HA 1 79 GLN QG 3.200 . 4.500 2.813 2.422 3.505 . 0 0 "[ . 1 . 2]" 1
350 1 58 LEU MD1 1 58 LEU HG 2.400 . 3.100 2.104 2.078 2.127 . 0 0 "[ . 1 . 2]" 1
351 1 14 LEU HB2 1 14 LEU MD2 3.100 . 4.300 3.168 2.649 3.201 . 0 0 "[ . 1 . 2]" 1
352 1 13 GLU QG 1 14 LEU MD2 3.200 . 4.500 3.374 2.610 5.066 0.566 19 1 "[ . 1 . +2]" 1
353 1 8 PRO HB3 1 8 PRO HG2 2.400 . 3.100 2.803 2.659 2.996 . 0 0 "[ . 1 . 2]" 1
354 1 66 LEU HA 1 66 LEU MD2 3.600 . 5.200 2.395 1.836 4.088 0.164 8 0 "[ . 1 . 2]" 1
355 1 22 SER QB 1 23 LEU HG 3.200 . 4.500 3.427 3.190 4.472 . 0 0 "[ . 1 . 2]" 1
356 1 50 ILE HB 1 50 ILE MD 2.800 . 3.800 2.539 2.236 3.237 . 0 0 "[ . 1 . 2]" 1
357 1 62 ILE HA 1 62 ILE MD 3.100 . 4.300 2.938 1.927 3.843 . 0 0 "[ . 1 . 2]" 1
358 1 50 ILE HA 1 50 ILE MD 3.400 . 4.800 3.402 2.010 4.186 . 0 0 "[ . 1 . 2]" 1
359 1 35 ILE HB 1 35 ILE HG13 2.600 . 3.400 2.578 2.383 3.028 . 0 0 "[ . 1 . 2]" 1
360 1 50 ILE HB 1 50 ILE HG12 2.800 . 3.800 2.789 2.449 3.029 . 0 0 "[ . 1 . 2]" 1
361 1 37 PRO HB3 1 37 PRO HG2 2.600 . 3.500 2.884 2.660 2.996 . 0 0 "[ . 1 . 2]" 1
362 1 36 VAL QG 1 37 PRO HD2 3.200 . 4.500 2.807 1.888 4.080 0.012 7 0 "[ . 1 . 2]" 1
363 1 36 VAL QG 1 37 PRO HD3 4.200 . 6.000 3.467 2.826 4.161 . 0 0 "[ . 1 . 2]" 1
364 1 7 THR MG 1 8 PRO HD2 3.800 . 5.600 3.717 2.025 4.393 . 0 0 "[ . 1 . 2]" 1
365 1 37 PRO HB3 1 37 PRO HD3 3.800 . 5.600 3.369 2.935 4.058 . 0 0 "[ . 1 . 2]" 1
366 1 8 PRO HB3 1 8 PRO HD3 3.700 . 5.400 3.646 2.942 4.066 . 0 0 "[ . 1 . 2]" 1
367 1 34 PRO HB2 1 34 PRO HD2 3.900 . 5.800 3.456 2.943 4.053 . 0 0 "[ . 1 . 2]" 1
368 1 35 ILE MG 1 36 VAL H 2.800 . 3.800 2.194 1.826 2.860 . 0 0 "[ . 1 . 2]" 1
369 1 39 VAL HB 1 40 GLU H 3.000 . 4.100 3.003 1.796 3.798 0.104 17 0 "[ . 1 . 2]" 1
370 1 29 SER HA 1 30 ALA H 2.800 . 3.800 2.280 1.974 2.730 . 0 0 "[ . 1 . 2]" 1
371 1 38 VAL HB 1 39 VAL H 2.800 . 3.800 3.029 1.780 3.637 0.020 14 0 "[ . 1 . 2]" 1
372 1 32 SER HB3 1 33 GLU H 3.800 . 5.600 2.609 1.716 3.551 0.284 5 0 "[ . 1 . 2]" 1
373 1 64 GLU H 1 66 LEU H 3.400 . 4.800 3.787 3.654 3.919 . 0 0 "[ . 1 . 2]" 1
374 1 42 LYS H 1 42 LYS QG 3.400 . 4.800 3.003 1.977 4.069 0.023 9 0 "[ . 1 . 2]" 1
375 1 42 LYS H 1 42 LYS QB 2.500 . 3.300 2.499 1.738 3.122 . 0 0 "[ . 1 . 2]" 1
376 1 42 LYS H 1 42 LYS HA 2.200 . 2.800 2.176 1.847 2.512 . 0 0 "[ . 1 . 2]" 1
377 1 15 ILE MG 1 18 ALA H 3.200 . 4.500 3.617 1.946 3.939 . 0 0 "[ . 1 . 2]" 1
378 1 55 ASP HB2 1 58 LEU H 3.200 . 4.500 2.603 2.187 3.504 . 0 0 "[ . 1 . 2]" 1
379 1 14 LEU HA 1 18 ALA H 2.800 . 3.800 3.253 3.203 3.297 . 0 0 "[ . 1 . 2]" 1
380 1 18 ALA H 1 18 ALA HA 2.400 . 3.100 2.492 2.484 2.506 . 0 0 "[ . 1 . 2]" 1
381 1 19 ILE MG 1 23 LEU H 3.400 . 4.800 3.119 3.047 3.212 . 0 0 "[ . 1 . 2]" 1
382 1 23 LEU H 1 23 LEU HA 2.500 . 3.300 2.502 2.488 2.518 . 0 0 "[ . 1 . 2]" 1
383 1 20 GLU H 1 23 LEU H 3.200 . 4.500 3.637 3.483 3.759 . 0 0 "[ . 1 . 2]" 1
384 1 60 ALA H 1 60 ALA MB 2.000 . 2.500 1.897 1.808 1.972 . 0 0 "[ . 1 . 2]" 1
385 1 79 GLN HA 1 80 LYS H 2.700 . 3.600 2.391 1.975 2.748 . 0 0 "[ . 1 . 2]" 1
386 1 48 GLN H 1 48 GLN HB2 2.800 . 3.800 2.787 2.414 3.546 . 0 0 "[ . 1 . 2]" 1
387 1 47 ARG HA 1 48 GLN H 2.100 . 2.700 1.995 1.867 2.310 . 0 0 "[ . 1 . 2]" 1
388 1 27 ARG H 1 27 ARG HB3 3.200 . 4.400 2.738 2.243 3.366 . 0 0 "[ . 1 . 2]" 1
389 1 44 GLU HB3 1 45 VAL H 2.800 . 3.700 2.770 2.016 3.647 . 0 0 "[ . 1 . 2]" 1
390 1 44 GLU HA 1 45 VAL H 2.300 . 3.000 2.263 1.924 2.624 . 0 0 "[ . 1 . 2]" 1
391 1 26 SER HA 1 27 ARG H 2.700 . 3.600 2.320 1.978 2.749 . 0 0 "[ . 1 . 2]" 1
392 1 27 ARG H 1 28 ASN H 2.800 . 3.800 2.508 1.970 3.299 . 0 0 "[ . 1 . 2]" 1
393 1 48 GLN H 1 48 GLN HB3 2.700 . 3.600 2.883 1.780 3.570 0.020 1 0 "[ . 1 . 2]" 1
394 1 48 GLN H 1 48 GLN HG2 3.500 . 5.000 3.016 2.037 3.937 . 0 0 "[ . 1 . 2]" 1
395 1 11 GLU H 1 11 GLU QB 2.400 . 3.100 2.315 2.164 2.637 . 0 0 "[ . 1 . 2]" 1
396 1 11 GLU H 1 11 GLU QG 3.100 . 4.300 2.735 1.909 3.917 . 0 0 "[ . 1 . 2]" 1
397 1 44 GLU H 1 44 GLU HB2 2.300 . 2.900 2.446 2.090 2.796 . 0 0 "[ . 1 . 2]" 1
398 1 44 GLU H 1 44 GLU HB3 2.400 . 3.100 2.217 1.527 2.731 0.173 19 0 "[ . 1 . 2]" 1
399 1 44 GLU H 1 44 GLU QG 2.800 . 3.800 2.160 1.825 2.669 . 0 0 "[ . 1 . 2]" 1
400 1 51 GLU HB3 1 52 GLU H 2.900 . 4.000 2.861 2.307 3.275 . 0 0 "[ . 1 . 2]" 1
401 1 44 GLU H 1 44 GLU HB3 2.700 . 3.600 2.348 1.643 2.931 0.157 12 0 "[ . 1 . 2]" 1
402 1 44 GLU H 1 44 GLU HG3 3.500 . 5.100 3.230 1.942 4.071 . 0 0 "[ . 1 . 2]" 1
403 1 51 GLU HA 1 52 GLU H 2.000 . 2.500 1.920 1.714 2.267 . 0 0 "[ . 1 . 2]" 1
404 1 34 PRO HA 1 35 ILE H 2.300 . 3.000 2.109 1.918 2.594 . 0 0 "[ . 1 . 2]" 1
405 1 71 GLU HB3 1 72 ALA H 2.400 . 3.100 2.511 2.101 3.114 0.014 1 0 "[ . 1 . 2]" 1
406 1 68 GLU HG3 1 72 ALA H 3.300 . 4.700 3.914 1.987 4.811 0.111 8 0 "[ . 1 . 2]" 1
407 1 71 GLU HA 1 72 ALA H 2.400 . 3.100 2.700 2.684 2.715 . 0 0 "[ . 1 . 2]" 1
408 1 59 LYS HA 1 60 ALA H 3.000 . 4.100 3.408 3.371 3.432 . 0 0 "[ . 1 . 2]" 1
409 1 58 LEU HA 1 61 ALA H 2.400 . 3.100 2.616 2.592 2.637 . 0 0 "[ . 1 . 2]" 1
410 1 57 ASP HA 1 60 ALA H 3.800 . 5.600 3.386 3.202 3.537 . 0 0 "[ . 1 . 2]" 1
411 1 34 PRO HB3 1 35 ILE H 3.500 . 5.100 2.801 2.270 3.345 . 0 0 "[ . 1 . 2]" 1
412 1 9 GLU QB 1 10 ASP H 2.800 . 3.800 2.639 1.773 3.463 0.027 3 0 "[ . 1 . 2]" 1
413 1 34 PRO HB2 1 35 ILE H 3.600 . 5.200 2.993 1.851 3.882 0.149 9 0 "[ . 1 . 2]" 1
414 1 3 ARG H 1 3 ARG HB2 3.100 . 4.300 2.524 1.676 3.219 0.224 20 0 "[ . 1 . 2]" 1
415 1 2 ASP QB 1 3 ARG H 3.300 . 4.600 2.371 1.662 3.196 0.338 19 0 "[ . 1 . 2]" 1
416 1 19 ILE HG13 1 20 GLU H 3.700 . 5.400 3.953 3.745 4.147 . 0 0 "[ . 1 . 2]" 1
417 1 12 GLU QB 1 16 ARG H 3.600 . 5.200 3.834 3.699 3.977 . 0 0 "[ . 1 . 2]" 1
418 1 15 ILE HB 1 16 ARG H 2.300 . 2.900 2.003 1.887 2.073 . 0 0 "[ . 1 . 2]" 1
419 1 16 ARG H 1 16 ARG HG2 2.900 . 4.000 2.499 1.969 3.587 . 0 0 "[ . 1 . 2]" 1
420 1 19 ILE MG 1 20 GLU H 3.100 . 4.300 2.719 2.078 3.243 . 0 0 "[ . 1 . 2]" 1
421 1 9 GLU QG 1 10 ASP H 3.900 . 5.800 3.741 2.573 4.378 . 0 0 "[ . 1 . 2]" 1
422 1 19 ILE HB 1 20 GLU H 2.700 . 3.600 2.301 2.202 2.497 . 0 0 "[ . 1 . 2]" 1
423 1 20 GLU H 1 20 GLU QB 2.400 . 3.100 2.075 1.990 2.204 . 0 0 "[ . 1 . 2]" 1
424 1 3 ARG H 1 3 ARG QG 3.500 . 5.000 2.879 1.941 3.930 0.059 14 0 "[ . 1 . 2]" 1
425 1 51 GLU QG 1 52 GLU H 3.100 . 4.300 2.216 1.872 2.683 0.028 15 0 "[ . 1 . 2]" 1
426 1 51 GLU HB2 1 52 GLU H 2.700 . 3.600 2.279 1.527 2.788 0.273 19 0 "[ . 1 . 2]" 1
427 1 51 GLU HB3 1 52 GLU H 2.500 . 3.300 2.382 1.698 2.804 0.002 10 0 "[ . 1 . 2]" 1
428 1 18 ALA HA 1 20 GLU H 3.100 . 4.300 3.452 3.338 3.587 . 0 0 "[ . 1 . 2]" 1
429 1 64 GLU HA 1 67 ARG H 2.800 . 3.800 3.165 3.026 3.262 . 0 0 "[ . 1 . 2]" 1
430 1 13 GLU HA 1 16 ARG H 2.600 . 3.400 2.730 2.675 2.768 . 0 0 "[ . 1 . 2]" 1
431 1 19 ILE MD 1 20 GLU H 3.300 . 4.700 2.997 1.978 3.337 . 0 0 "[ . 1 . 2]" 1
432 1 60 ALA MB 1 63 GLN H 4.100 . 6.000 4.105 3.966 4.241 . 0 0 "[ . 1 . 2]" 1
433 1 18 ALA MB 1 19 ILE H 2.400 . 3.100 2.241 2.148 2.339 . 0 0 "[ . 1 . 2]" 1
434 1 19 ILE H 1 19 ILE HG12 2.700 . 3.600 2.341 1.859 3.248 . 0 0 "[ . 1 . 2]" 1
435 1 19 ILE H 1 19 ILE MD 2.600 . 3.500 2.617 1.930 3.030 . 0 0 "[ . 1 . 2]" 1
436 1 13 GLU H 1 14 LEU HG 3.200 . 4.500 3.575 2.114 4.276 . 0 0 "[ . 1 . 2]" 1
437 1 15 ILE HB 1 16 ARG H 2.100 . 2.700 2.128 2.001 2.298 . 0 0 "[ . 1 . 2]" 1
438 1 15 ILE H 1 15 ILE HB 2.200 . 2.800 2.149 2.073 2.256 . 0 0 "[ . 1 . 2]" 1
439 1 14 LEU QD 1 15 ILE H 3.300 . 4.700 3.337 3.086 3.379 . 0 0 "[ . 1 . 2]" 1
440 1 3 ARG H 1 7 THR HA 3.100 . 4.300 3.932 3.345 4.339 0.039 9 0 "[ . 1 . 2]" 1
441 1 3 ARG H 1 3 ARG HA 2.400 . 3.100 2.301 2.025 2.504 . 0 0 "[ . 1 . 2]" 1
442 1 11 GLU HA 1 15 ILE H 2.900 . 3.900 3.208 3.031 3.323 . 0 0 "[ . 1 . 2]" 1
443 1 12 GLU HA 1 13 GLU H 2.600 . 3.400 2.699 2.691 2.706 . 0 0 "[ . 1 . 2]" 1
444 1 4 ASP HA 1 5 TYR H 2.600 . 3.500 2.372 1.966 2.812 . 0 0 "[ . 1 . 2]" 1
445 1 21 LEU HA 1 24 LYS H 2.500 . 3.300 2.702 2.654 2.780 . 0 0 "[ . 1 . 2]" 1
446 1 12 GLU HA 1 13 GLU H 2.800 . 3.800 2.655 2.610 2.680 . 0 0 "[ . 1 . 2]" 1
447 1 60 ALA H 1 60 ALA HA 2.300 . 3.000 2.452 2.447 2.460 . 0 0 "[ . 1 . 2]" 1
448 1 12 GLU QB 1 13 GLU H 2.200 . 2.800 2.137 2.095 2.283 . 0 0 "[ . 1 . 2]" 1
449 1 24 LYS H 1 24 LYS QB 2.300 . 3.000 2.190 2.090 2.434 . 0 0 "[ . 1 . 2]" 1
450 1 19 ILE H 1 19 ILE HB 2.100 . 2.700 2.262 2.177 2.315 . 0 0 "[ . 1 . 2]" 1
451 1 49 GLU HB3 1 50 ILE H 3.000 . 4.100 3.034 2.024 3.700 . 0 0 "[ . 1 . 2]" 1
452 1 68 GLU H 1 68 GLU QB 2.200 . 2.800 2.054 1.998 2.197 . 0 0 "[ . 1 . 2]" 1
453 1 20 GLU HB3 1 21 LEU H 2.300 . 3.000 2.158 2.024 2.411 . 0 0 "[ . 1 . 2]" 1
454 1 17 LYS QB 1 19 ILE H 4.200 . 6.000 3.176 2.280 3.674 . 0 0 "[ . 1 . 2]" 1
455 1 50 ILE H 1 50 ILE HB 3.400 . 4.800 2.857 1.919 3.457 0.081 13 0 "[ . 1 . 2]" 1
456 1 21 LEU H 1 21 LEU QB 2.100 . 2.600 2.133 1.894 2.415 . 0 0 "[ . 1 . 2]" 1
457 1 11 GLU HG2 1 13 GLU H 3.100 . 4.300 3.328 2.087 3.758 . 0 0 "[ . 1 . 2]" 1
458 1 19 ILE H 1 19 ILE HG13 2.100 . 2.700 2.139 1.885 2.413 . 0 0 "[ . 1 . 2]" 1
459 1 20 GLU HG2 1 21 LEU H 3.700 . 5.400 2.903 1.966 4.060 0.034 11 0 "[ . 1 . 2]" 1
460 1 11 GLU QG 1 12 GLU H 3.300 . 4.700 2.674 1.806 3.765 0.094 2 0 "[ . 1 . 2]" 1
461 1 68 GLU H 1 68 GLU HG2 3.100 . 4.300 3.343 1.922 4.038 . 0 0 "[ . 1 . 2]" 1
462 1 25 GLU H 1 25 GLU HG3 3.100 . 4.300 3.201 2.112 3.836 . 0 0 "[ . 1 . 2]" 1
463 1 12 GLU H 1 12 GLU QB 2.300 . 3.000 1.876 1.814 1.931 . 0 0 "[ . 1 . 2]" 1
464 1 18 ALA MB 1 19 ILE H 2.700 . 3.600 2.261 2.182 2.372 . 0 0 "[ . 1 . 2]" 1
465 1 25 GLU H 1 25 GLU HB3 2.600 . 3.400 2.216 2.083 2.447 . 0 0 "[ . 1 . 2]" 1
466 1 43 ASN H 1 43 ASN HB2 3.000 . 4.100 2.403 2.187 2.531 . 0 0 "[ . 1 . 2]" 1
467 1 28 ASN H 1 28 ASN HB3 3.900 . 5.800 2.948 2.352 3.535 . 0 0 "[ . 1 . 2]" 1
468 1 11 GLU HB3 1 12 GLU H 2.200 . 2.800 2.291 2.084 2.504 . 0 0 "[ . 1 . 2]" 1
469 1 11 GLU QG 1 12 GLU H 3.100 . 4.300 2.913 1.909 4.078 . 0 0 "[ . 1 . 2]" 1
470 1 16 ARG HG2 1 17 LYS H 2.900 . 4.000 3.335 2.073 4.088 0.088 15 0 "[ . 1 . 2]" 1
471 1 17 LYS H 1 17 LYS HG3 3.500 . 5.000 3.487 2.165 3.949 . 0 0 "[ . 1 . 2]" 1
472 1 4 ASP H 1 5 TYR H 2.800 . 3.800 2.883 1.976 3.684 . 0 0 "[ . 1 . 2]" 1
473 1 44 GLU H 1 45 VAL H 2.300 . 3.000 2.214 1.948 2.348 . 0 0 "[ . 1 . 2]" 1
474 1 4 ASP H 1 5 TYR H 2.700 . 3.600 2.450 1.944 2.727 . 0 0 "[ . 1 . 2]" 1
475 1 12 GLU H 1 15 ILE H 4.000 . 6.000 4.002 3.818 4.107 . 0 0 "[ . 1 . 2]" 1
476 1 49 GLU HA 1 50 ILE H 2.600 . 3.400 2.020 1.829 2.373 . 0 0 "[ . 1 . 2]" 1
477 1 16 ARG HA 1 19 ILE H 2.500 . 3.300 3.171 3.019 3.355 0.055 19 0 "[ . 1 . 2]" 1
478 1 18 ALA HA 1 19 ILE H 2.300 . 2.900 2.637 2.612 2.662 . 0 0 "[ . 1 . 2]" 1
479 1 9 GLU H 1 9 GLU QG 3.100 . 4.300 3.126 2.067 4.236 . 0 0 "[ . 1 . 2]" 1
480 1 8 PRO HB2 1 9 GLU H 2.400 . 3.100 2.277 1.419 3.245 0.281 1 0 "[ . 1 . 2]" 1
481 1 67 ARG HA 1 68 GLU H 3.000 . 4.200 3.347 3.264 3.389 . 0 0 "[ . 1 . 2]" 1
482 1 68 GLU H 1 68 GLU HA 2.400 . 3.100 2.503 2.480 2.517 . 0 0 "[ . 1 . 2]" 1
483 1 67 ARG HA 1 68 GLU H 3.100 . 4.300 3.062 3.017 3.084 . 0 0 "[ . 1 . 2]" 1
484 1 56 PRO HA 1 57 ASP H 2.900 . 3.900 3.429 3.383 3.460 . 0 0 "[ . 1 . 2]" 1
485 1 27 ARG HA 1 28 ASN H 2.700 . 3.600 2.358 1.930 3.174 . 0 0 "[ . 1 . 2]" 1
486 1 11 GLU HA 1 12 GLU H 2.300 . 2.900 2.434 2.416 2.450 . 0 0 "[ . 1 . 2]" 1
487 1 24 LYS HA 1 25 GLU H 2.500 . 3.300 2.699 2.610 2.716 . 0 0 "[ . 1 . 2]" 1
488 1 25 GLU H 1 25 GLU HA 2.600 . 3.400 2.259 1.960 2.810 . 0 0 "[ . 1 . 2]" 1
489 1 70 GLU H 1 71 GLU H 2.400 . 3.100 2.417 2.364 2.487 . 0 0 "[ . 1 . 2]" 1
490 1 10 ASP H 1 13 GLU H 2.400 . 3.100 2.353 2.029 2.490 . 0 0 "[ . 1 . 2]" 1
491 1 14 LEU HB2 1 15 ILE H 2.700 . 3.600 2.426 2.036 2.647 . 0 0 "[ . 1 . 2]" 1
492 1 14 LEU H 1 14 LEU HB2 2.700 . 3.600 2.302 2.208 2.471 . 0 0 "[ . 1 . 2]" 1
493 1 14 LEU H 1 14 LEU HB3 2.400 . 3.100 2.673 2.462 3.267 0.167 3 0 "[ . 1 . 2]" 1
494 1 14 LEU MD2 1 15 ILE H 4.200 . 6.000 3.446 3.367 3.492 . 0 0 "[ . 1 . 2]" 1
495 1 24 LYS H 1 24 LYS HG2 3.600 . 5.200 3.497 2.059 4.214 . 0 0 "[ . 1 . 2]" 1
496 1 68 GLU H 1 69 ALA MB 4.100 . 6.000 3.656 3.587 3.708 . 0 0 "[ . 1 . 2]" 1
497 1 20 GLU HA 1 21 LEU H 2.500 . 3.300 2.706 2.686 2.722 . 0 0 "[ . 1 . 2]" 1
498 1 18 ALA HA 1 19 ILE H 2.700 . 3.600 2.513 2.499 2.530 . 0 0 "[ . 1 . 2]" 1
499 1 77 GLU HA 1 78 ARG H 2.600 . 3.500 2.501 2.120 2.798 . 0 0 "[ . 1 . 2]" 1
500 1 13 GLU HA 1 14 LEU H 2.500 . 3.300 2.700 2.683 2.723 . 0 0 "[ . 1 . 2]" 1
501 1 11 GLU HA 1 14 LEU H 2.600 . 3.400 2.618 2.581 2.646 . 0 0 "[ . 1 . 2]" 1
502 1 11 GLU HA 1 14 LEU H 2.400 . 6.000 3.363 3.181 3.463 . 0 0 "[ . 1 . 2]" 1
503 1 72 ALA HA 1 73 LYS H 2.500 . 3.300 2.716 2.695 2.751 . 0 0 "[ . 1 . 2]" 1
504 1 58 LEU HA 1 59 LYS H 2.700 . 3.600 3.165 3.147 3.177 . 0 0 "[ . 1 . 2]" 1
505 1 74 LEU HA 1 75 ARG H 2.300 . 3.000 2.721 2.692 2.780 . 0 0 "[ . 1 . 2]" 1
506 1 59 LYS H 1 59 LYS HG3 3.200 . 4.500 3.450 2.127 3.996 . 0 0 "[ . 1 . 2]" 1
507 1 69 ALA HA 1 73 LYS H 4.100 . 6.000 3.944 3.700 4.106 . 0 0 "[ . 1 . 2]" 1
508 1 12 GLU H 1 13 GLU H 2.600 . 3.400 2.454 2.393 2.527 . 0 0 "[ . 1 . 2]" 1
509 1 67 ARG H 1 68 GLU H 2.300 . 3.000 2.404 2.304 2.456 . 0 0 "[ . 1 . 2]" 1
510 1 10 ASP H 1 14 LEU H 3.700 . 5.400 3.945 3.529 4.144 . 0 0 "[ . 1 . 2]" 1
511 1 6 SER H 1 6 SER QB 3.400 . 4.900 2.475 1.679 2.892 0.221 15 0 "[ . 1 . 2]" 1
512 1 39 VAL HB 1 41 SER H 4.300 . 6.000 3.843 1.924 4.503 0.076 17 0 "[ . 1 . 2]" 1
513 1 6 SER HB3 1 7 THR H 3.200 . 4.500 3.582 1.741 4.313 0.159 9 0 "[ . 1 . 2]" 1
514 1 26 SER H 1 26 SER QB 2.400 . 3.100 2.698 2.305 3.100 . 0 0 "[ . 1 . 2]" 1
515 1 25 GLU HA 1 26 SER H 2.400 . 3.100 2.580 2.141 3.155 0.055 19 0 "[ . 1 . 2]" 1
516 1 25 GLU HG3 1 26 SER H 3.900 . 5.800 3.121 1.611 3.915 0.389 7 0 "[ . 1 . 2]" 1
517 1 25 GLU HB3 1 26 SER H 2.600 . 3.400 2.259 1.778 2.737 0.022 11 0 "[ . 1 . 2]" 1
518 1 19 ILE MG 1 22 SER H 3.700 . 5.400 3.602 2.951 3.879 . 0 0 "[ . 1 . 2]" 1
519 1 21 LEU QB 1 22 SER H 2.900 . 3.900 2.514 2.369 2.688 . 0 0 "[ . 1 . 2]" 1
520 1 22 SER H 1 22 SER QB 2.300 . 3.000 2.227 2.091 2.490 . 0 0 "[ . 1 . 2]" 1
521 1 18 ALA HA 1 22 SER H 2.700 . 3.600 3.053 2.948 3.094 . 0 0 "[ . 1 . 2]" 1
522 1 22 SER H 1 22 SER HA 2.600 . 3.500 2.467 2.184 2.529 . 0 0 "[ . 1 . 2]" 1
523 1 21 LEU HA 1 22 SER H 2.600 . 3.400 2.951 2.865 3.118 . 0 0 "[ . 1 . 2]" 1
524 1 13 GLU H 1 14 LEU H 2.100 . 2.600 2.465 2.383 2.514 . 0 0 "[ . 1 . 2]" 1
525 1 10 ASP H 1 13 GLU H 2.700 . 3.600 2.590 2.078 2.828 . 0 0 "[ . 1 . 2]" 1
526 1 21 LEU H 1 22 SER H 2.400 . 3.100 2.409 2.355 2.464 . 0 0 "[ . 1 . 2]" 1
527 1 77 GLU H 1 78 ARG H 2.400 . 3.100 2.468 1.885 3.174 0.074 1 0 "[ . 1 . 2]" 1
528 1 13 GLU H 1 14 LEU H 2.200 . 2.800 2.466 2.420 2.529 . 0 0 "[ . 1 . 2]" 1
529 1 76 SER H 1 77 GLU H 2.200 . 2.800 2.475 1.903 2.892 0.092 4 0 "[ . 1 . 2]" 1
530 1 42 LYS H 1 42 LYS HB2 2.600 . 3.500 2.387 1.738 3.132 . 0 0 "[ . 1 . 2]" 1
531 1 69 ALA HA 1 72 ALA H 2.900 . 3.900 2.580 2.239 2.832 . 0 0 "[ . 1 . 2]" 1
532 1 15 ILE MD 1 16 ARG H 4.100 . 6.000 3.460 2.138 3.814 . 0 0 "[ . 1 . 2]" 1
533 1 16 ARG QB 1 16 ARG QD 2.200 . 2.800 1.957 1.834 2.167 . 0 0 "[ . 1 . 2]" 1
534 1 47 ARG HA 1 47 ARG QD 3.400 . 4.800 3.043 1.985 3.906 0.015 12 0 "[ . 1 . 2]" 1
535 1 67 ARG HA 1 67 ARG QD 3.000 . 4.100 2.750 1.872 3.704 0.028 15 0 "[ . 1 . 2]" 1
536 1 23 LEU HB3 1 23 LEU QD 2.000 . 2.500 1.947 1.867 2.011 . 0 0 "[ . 1 . 2]" 1
537 1 21 LEU HB2 1 21 LEU MD1 2.500 . 3.300 1.846 1.782 1.935 . 0 0 "[ . 1 . 2]" 1
538 1 18 ALA HA 1 21 LEU HB2 2.400 . 3.100 2.319 2.262 2.388 . 0 0 "[ . 1 . 2]" 1
539 1 14 LEU HB3 1 14 LEU MD2 2.500 . 3.300 1.962 1.826 2.024 . 0 0 "[ . 1 . 2]" 1
540 1 20 GLU HA 1 23 LEU HB2 2.700 . 3.600 2.753 2.385 3.159 . 0 0 "[ . 1 . 2]" 1
541 1 23 LEU HA 1 23 LEU HB3 2.500 . 3.300 2.333 2.184 2.381 . 0 0 "[ . 1 . 2]" 1
542 1 74 LEU HA 1 74 LEU HB3 2.700 . 3.600 2.863 2.461 2.967 . 0 0 "[ . 1 . 2]" 1
543 1 11 GLU HA 1 14 LEU HB2 2.600 . 3.400 2.510 2.247 2.828 . 0 0 "[ . 1 . 2]" 1
544 1 63 GLN HA 1 66 LEU HB3 3.100 . 4.300 4.109 3.920 4.413 0.113 6 0 "[ . 1 . 2]" 1
545 1 15 ILE HB 1 15 ILE MD 2.200 . 2.800 1.918 1.860 1.993 . 0 0 "[ . 1 . 2]" 1
546 1 15 ILE HB 1 15 ILE MG 1.900 . 2.400 1.876 1.857 1.894 . 0 0 "[ . 1 . 2]" 1
547 1 12 GLU HA 1 15 ILE HB 2.300 . 2.900 2.432 2.274 2.674 . 0 0 "[ . 1 . 2]" 1
548 1 35 ILE HB 1 35 ILE HG12 3.200 . 4.500 2.368 2.177 2.696 . 0 0 "[ . 1 . 2]" 1
549 1 15 ILE HA 1 15 ILE HG12 2.400 . 3.100 2.339 2.232 2.431 . 0 0 "[ . 1 . 2]" 1
550 1 15 ILE HA 1 18 ALA MB 2.600 . 3.500 2.650 2.287 2.832 . 0 0 "[ . 1 . 2]" 1
551 1 19 ILE HA 1 19 ILE HG13 2.700 . 3.600 3.170 2.886 3.444 . 0 0 "[ . 1 . 2]" 1
552 1 15 ILE HA 1 15 ILE HB 2.500 . 3.300 2.692 2.689 2.694 . 0 0 "[ . 1 . 2]" 1
553 1 19 ILE MG 1 22 SER QB 3.200 . 4.500 3.070 2.700 3.251 . 0 0 "[ . 1 . 2]" 1
554 1 21 LEU MD2 1 22 SER HB2 3.000 . 4.100 3.370 3.032 4.141 0.041 2 0 "[ . 1 . 2]" 1
555 1 6 SER HA 1 6 SER HB3 2.500 . 3.300 2.340 2.188 2.699 . 0 0 "[ . 1 . 2]" 1
556 1 8 PRO HA 1 8 PRO HG2 3.200 . 4.400 3.763 3.666 3.899 . 0 0 "[ . 1 . 2]" 1
557 1 8 PRO HA 1 8 PRO HG3 3.200 . 4.500 3.139 2.355 3.875 . 0 0 "[ . 1 . 2]" 1
558 1 22 SER HA 1 22 SER QB 2.100 . 2.600 1.995 1.925 2.071 . 0 0 "[ . 1 . 2]" 1
559 1 38 VAL HA 1 38 VAL QG 2.500 . 3.300 1.927 1.851 2.040 . 0 0 "[ . 1 . 2]" 1
560 1 38 VAL HA 1 38 VAL QG 2.800 . 3.800 2.038 1.934 2.272 . 0 0 "[ . 1 . 2]" 1
561 1 11 GLU HA 1 11 GLU QG 2.500 . 3.300 2.223 2.032 2.564 . 0 0 "[ . 1 . 2]" 1
562 1 11 GLU HA 1 11 GLU QG 2.800 . 3.800 2.433 2.167 2.824 . 0 0 "[ . 1 . 2]" 1
563 1 25 GLU HA 1 25 GLU HG2 2.300 . 3.000 1.993 1.871 2.295 . 0 0 "[ . 1 . 2]" 1
564 1 25 GLU HA 1 25 GLU HG2 2.500 . 3.300 1.988 1.883 2.196 . 0 0 "[ . 1 . 2]" 1
565 1 25 GLU HA 1 25 GLU HG3 2.700 . 3.600 2.306 2.060 2.672 . 0 0 "[ . 1 . 2]" 1
566 1 63 GLN QB 1 63 GLN HG3 2.100 . 2.600 1.961 1.898 1.983 . 0 0 "[ . 1 . 2]" 1
567 1 21 LEU HA 1 24 LYS HB2 2.200 . 2.800 2.302 2.195 2.419 . 0 0 "[ . 1 . 2]" 1
568 1 14 LEU HA 1 17 LYS HB2 2.300 . 2.900 2.301 2.174 2.386 . 0 0 "[ . 1 . 2]" 1
569 1 56 PRO HA 1 59 LYS HB2 2.800 . 3.800 2.663 2.326 2.949 . 0 0 "[ . 1 . 2]" 1
570 1 42 LYS HA 1 42 LYS HB2 3.100 . 4.300 2.059 1.945 2.221 . 0 0 "[ . 1 . 2]" 1
571 1 42 LYS HA 1 42 LYS HB3 3.200 . 4.500 2.075 1.940 2.236 . 0 0 "[ . 1 . 2]" 1
572 1 34 PRO HB3 1 34 PRO HD3 3.300 . 4.600 3.238 2.862 3.541 . 0 0 "[ . 1 . 2]" 1
573 1 17 LYS HB2 1 21 LEU MD1 3.100 . 4.300 3.280 2.687 3.852 . 0 0 "[ . 1 . 2]" 1
574 1 24 LYS QB 1 24 LYS HG3 2.300 . 3.000 2.118 2.016 2.275 . 0 0 "[ . 1 . 2]" 1
575 1 24 LYS HB2 1 24 LYS HD2 2.300 . 2.900 2.233 2.018 2.687 . 0 0 "[ . 1 . 2]" 1
576 1 59 LYS QB 1 59 LYS HG2 2.300 . 2.900 2.031 1.927 2.096 . 0 0 "[ . 1 . 2]" 1
577 1 14 LEU MD1 1 17 LYS HB2 3.000 . 4.100 3.270 2.624 3.904 . 0 0 "[ . 1 . 2]" 1
578 1 24 LYS HB3 1 24 LYS HG2 2.200 . 2.800 2.123 2.012 2.269 . 0 0 "[ . 1 . 2]" 1
579 1 8 PRO HB3 1 8 PRO HD2 3.100 . 4.300 3.087 2.786 3.285 . 0 0 "[ . 1 . 2]" 1
580 1 34 PRO HB2 1 34 PRO QG 2.000 . 2.500 2.128 2.088 2.187 . 0 0 "[ . 1 . 2]" 1
581 1 18 ALA HA 1 22 SER HB2 3.200 . 4.500 3.519 3.341 3.711 . 0 0 "[ . 1 . 2]" 1
582 1 72 ALA HA 1 76 SER HB3 2.400 . 3.100 2.856 2.470 3.140 0.040 16 0 "[ . 1 . 2]" 1
583 1 17 LYS QB 1 17 LYS HG3 2.300 . 3.000 2.058 1.990 2.126 . 0 0 "[ . 1 . 2]" 1
584 1 59 LYS QB 1 59 LYS HD2 2.300 . 3.000 2.308 2.015 2.899 . 0 0 "[ . 1 . 2]" 1
585 1 64 GLU HB3 1 65 SER HA 2.800 . 3.800 2.849 2.532 3.076 . 0 0 "[ . 1 . 2]" 1
586 1 21 LEU HA 1 22 SER HA 2.800 . 3.800 3.784 3.432 3.931 0.131 20 0 "[ . 1 . 2]" 1
587 1 44 GLU HB3 1 44 GLU QG 1.600 . 2.200 1.854 1.756 1.949 . 0 0 "[ . 1 . 2]" 1
588 1 40 GLU HB3 1 40 GLU HG2 1.700 . 2.200 1.813 1.743 1.884 . 0 0 "[ . 1 . 2]" 1
589 1 16 ARG QB 1 16 ARG QD 2.400 . 3.100 1.908 1.769 2.114 . 0 0 "[ . 1 . 2]" 1
590 1 27 ARG HB2 1 27 ARG QD 2.900 . 4.000 2.175 2.027 2.430 . 0 0 "[ . 1 . 2]" 1
591 1 16 ARG QB 1 17 LYS HA 2.800 . 3.800 2.931 2.509 3.349 . 0 0 "[ . 1 . 2]" 1
592 1 67 ARG HA 1 67 ARG QB 2.200 . 2.800 2.095 2.027 2.128 . 0 0 "[ . 1 . 2]" 1
593 1 44 GLU HA 1 44 GLU HB2 2.200 . 2.800 1.945 1.839 2.123 . 0 0 "[ . 1 . 2]" 1
594 1 25 GLU HA 1 25 GLU HB2 2.100 . 2.700 1.871 1.771 1.963 . 0 0 "[ . 1 . 2]" 1
595 1 47 ARG HA 1 47 ARG HB2 3.000 . 4.100 2.360 2.162 2.695 . 0 0 "[ . 1 . 2]" 1
596 1 11 GLU HA 1 11 GLU QB 1.800 . 2.200 1.826 1.777 1.869 . 0 0 "[ . 1 . 2]" 1
597 1 9 GLU HA 1 13 GLU HB2 2.100 . 2.700 2.032 1.777 2.117 . 0 0 "[ . 1 . 2]" 1
598 1 64 GLU QB 1 65 SER HA 2.600 . 3.400 2.823 2.528 3.010 . 0 0 "[ . 1 . 2]" 1
599 1 49 GLU HA 1 49 GLU HB3 2.600 . 3.500 2.387 2.173 2.695 . 0 0 "[ . 1 . 2]" 1
600 1 58 LEU HA 1 58 LEU HG 3.000 . 4.100 2.519 2.203 3.130 . 0 0 "[ . 1 . 2]" 1
601 1 8 PRO HA 1 8 PRO HG2 3.100 . 4.300 2.896 2.590 3.165 . 0 0 "[ . 1 . 2]" 1
602 1 8 PRO HD2 1 8 PRO QG 2.200 . 2.800 1.813 1.798 1.826 . 0 0 "[ . 1 . 2]" 1
603 1 11 GLU HA 1 14 LEU HG 2.700 . 3.600 2.722 2.416 2.888 . 0 0 "[ . 1 . 2]" 1
604 1 67 ARG HA 1 67 ARG HG2 2.900 . 3.900 2.610 2.347 3.367 . 0 0 "[ . 1 . 2]" 1
605 1 21 LEU HA 1 21 LEU HG 2.800 . 3.800 2.376 2.194 2.692 . 0 0 "[ . 1 . 2]" 1
606 1 15 ILE MG 1 19 ILE HG13 2.500 . 3.300 2.957 2.556 3.347 0.047 20 0 "[ . 1 . 2]" 1
607 1 15 ILE HG13 1 15 ILE MG 2.500 . 3.300 2.561 2.214 2.854 . 0 0 "[ . 1 . 2]" 1
608 1 24 LYS QD 1 24 LYS HG2 1.600 . 2.200 1.773 1.743 1.813 . 0 0 "[ . 1 . 2]" 1
609 1 15 ILE HB 1 15 ILE HG13 2.100 . 2.600 2.234 2.163 2.375 . 0 0 "[ . 1 . 2]" 1
610 1 15 ILE HG12 1 15 ILE MG 2.400 . 3.100 2.176 2.003 2.371 . 0 0 "[ . 1 . 2]" 1
611 1 15 ILE MD 1 15 ILE HG12 2.000 . 2.500 1.745 1.732 1.762 . 0 0 "[ . 1 . 2]" 1
612 1 35 ILE MD 1 35 ILE HG12 2.200 . 2.800 1.804 1.755 1.867 . 0 0 "[ . 1 . 2]" 1
613 1 16 ARG HB2 1 16 ARG HG3 1.800 . 2.200 1.925 1.802 2.032 . 0 0 "[ . 1 . 2]" 1
614 1 12 GLU HA 1 15 ILE HG13 2.700 . 3.600 2.559 1.965 2.952 . 0 0 "[ . 1 . 2]" 1
615 1 21 LEU HA 1 24 LYS QD 3.300 . 4.700 2.736 1.964 3.698 . 0 0 "[ . 1 . 2]" 1
616 1 46 LYS HA 1 46 LYS QD 3.400 . 4.900 2.866 1.839 3.798 0.061 6 0 "[ . 1 . 2]" 1
617 1 77 GLU QB 1 77 GLU HG2 2.100 . 2.700 2.062 1.991 2.135 . 0 0 "[ . 1 . 2]" 1
618 1 34 PRO HB3 1 34 PRO QG 1.900 . 2.400 2.014 1.986 2.036 . 0 0 "[ . 1 . 2]" 1
619 1 37 PRO HB3 1 38 VAL HB 2.500 . 6.000 4.832 4.359 5.276 . 0 0 "[ . 1 . 2]" 1
620 1 8 PRO HB3 1 8 PRO HG3 2.100 . 2.600 2.064 2.055 2.074 . 0 0 "[ . 1 . 2]" 1
621 1 16 ARG HB3 1 16 ARG HG2 1.900 . 2.300 1.901 1.797 2.037 . 0 0 "[ . 1 . 2]" 1
622 1 40 GLU HB3 1 42 LYS QD 2.200 . 6.000 4.714 2.529 6.404 0.404 1 0 "[ . 1 . 2]" 1
623 1 27 ARG HB2 1 27 ARG HG2 1.900 . 2.400 2.241 2.121 2.296 . 0 0 "[ . 1 . 2]" 1
624 1 16 ARG HB2 1 16 ARG HG3 1.700 . 2.200 1.957 1.844 2.066 . 0 0 "[ . 1 . 2]" 1
625 1 16 ARG HB3 1 16 ARG HG2 1.900 . 2.300 1.976 1.851 2.072 . 0 0 "[ . 1 . 2]" 1
626 1 6 SER HA 1 6 SER QB 2.400 . 3.100 2.162 2.049 2.296 . 0 0 "[ . 1 . 2]" 1
627 1 26 SER HA 1 26 SER QB 2.300 . 2.900 2.175 2.040 2.297 . 0 0 "[ . 1 . 2]" 1
628 1 12 GLU HA 1 15 ILE MG 2.800 . 3.800 3.291 2.985 3.377 . 0 0 "[ . 1 . 2]" 1
629 1 16 ARG HA 1 16 ARG HG3 2.700 . 3.600 2.879 2.497 3.404 . 0 0 "[ . 1 . 2]" 1
630 1 12 GLU HA 1 15 ILE HB 2.200 . 2.800 2.218 2.072 2.321 . 0 0 "[ . 1 . 2]" 1
631 1 17 LYS HA 1 17 LYS QB 2.200 . 2.800 2.104 2.012 2.151 . 0 0 "[ . 1 . 2]" 1
632 1 17 LYS HA 1 17 LYS HG2 2.600 . 3.400 2.639 2.115 3.509 0.109 5 0 "[ . 1 . 2]" 1
633 1 17 LYS HA 1 17 LYS HG3 2.800 . 3.800 2.502 2.170 2.921 . 0 0 "[ . 1 . 2]" 1
634 1 11 GLU HA 1 14 LEU MD1 2.400 . 3.100 2.443 2.020 2.739 . 0 0 "[ . 1 . 2]" 1
635 1 12 GLU HA 1 15 ILE MD 2.400 . 3.100 2.342 1.942 2.826 . 0 0 "[ . 1 . 2]" 1
636 1 11 GLU HA 1 11 GLU HG3 2.300 . 3.000 2.258 2.095 2.618 . 0 0 "[ . 1 . 2]" 1
637 1 11 GLU HA 1 14 LEU HG 2.700 . 3.600 2.949 2.545 3.193 . 0 0 "[ . 1 . 2]" 1
638 1 12 GLU HA 1 15 ILE HB 2.200 . 2.800 2.162 2.030 2.259 . 0 0 "[ . 1 . 2]" 1
639 1 17 LYS HA 1 17 LYS HG3 3.000 . 4.200 2.605 2.199 3.250 . 0 0 "[ . 1 . 2]" 1
640 1 14 LEU HA 1 14 LEU HB3 2.200 . 2.800 2.394 2.280 2.472 . 0 0 "[ . 1 . 2]" 1
641 1 69 ALA MB 1 70 GLU HA 2.900 . 4.000 2.935 2.366 3.382 . 0 0 "[ . 1 . 2]" 1
642 1 66 LEU HB2 1 67 ARG HA 2.700 . 3.600 2.902 2.531 3.533 . 0 0 "[ . 1 . 2]" 1
643 1 12 GLU HA 1 15 ILE HG13 2.600 . 3.500 2.621 1.969 3.074 . 0 0 "[ . 1 . 2]" 1
644 1 67 ARG HA 1 67 ARG QB 1.900 . 2.400 2.092 2.004 2.131 . 0 0 "[ . 1 . 2]" 1
645 1 13 GLU HA 1 13 GLU QG 2.500 . 3.300 2.373 2.182 2.687 . 0 0 "[ . 1 . 2]" 1
646 1 13 GLU HA 1 13 GLU QB 2.100 . 2.600 2.092 2.031 2.105 . 0 0 "[ . 1 . 2]" 1
647 1 21 LEU HA 1 24 LYS QB 2.500 . 3.300 2.757 2.377 3.233 . 0 0 "[ . 1 . 2]" 1
648 1 58 LEU HA 1 58 LEU HG 2.800 . 3.800 2.672 2.372 2.899 . 0 0 "[ . 1 . 2]" 1
649 1 58 LEU HA 1 58 LEU HG 2.500 . 3.300 2.676 2.358 2.897 . 0 0 "[ . 1 . 2]" 1
650 1 66 LEU HA 1 66 LEU HB3 2.400 . 3.100 2.246 2.141 2.414 . 0 0 "[ . 1 . 2]" 1
651 1 25 GLU HA 1 25 GLU HB2 2.300 . 2.900 2.092 1.949 2.224 . 0 0 "[ . 1 . 2]" 1
652 1 25 GLU HA 1 25 GLU HG2 2.400 . 3.100 2.289 2.067 2.636 . 0 0 "[ . 1 . 2]" 1
653 1 25 GLU HA 1 25 GLU HG3 3.000 . 4.100 2.595 2.229 3.325 . 0 0 "[ . 1 . 2]" 1
654 1 40 GLU HA 1 40 GLU HG2 2.300 . 2.900 2.086 1.923 2.427 . 0 0 "[ . 1 . 2]" 1
655 1 40 GLU HA 1 40 GLU HB2 2.100 . 2.600 1.965 1.873 2.241 . 0 0 "[ . 1 . 2]" 1
656 1 23 LEU HA 1 23 LEU HB3 2.400 . 3.100 2.359 2.217 2.458 . 0 0 "[ . 1 . 2]" 1
657 1 58 LEU HA 1 61 ALA MB 2.400 . 3.100 2.369 2.069 2.574 . 0 0 "[ . 1 . 2]" 1
658 1 42 LYS HA 1 42 LYS HG2 3.200 . 4.500 2.332 2.074 2.907 . 0 0 "[ . 1 . 2]" 1
659 1 27 ARG HA 1 27 ARG HG2 2.900 . 3.900 2.953 1.964 3.608 . 0 0 "[ . 1 . 2]" 1
660 1 27 ARG HA 1 27 ARG HB3 2.400 . 3.100 2.345 2.181 2.695 . 0 0 "[ . 1 . 2]" 1
661 1 12 GLU HA 1 15 ILE MG 2.700 . 3.600 3.004 2.015 3.283 . 0 0 "[ . 1 . 2]" 1
662 1 15 ILE HG12 1 15 ILE MG 2.200 . 2.800 2.082 1.917 2.263 . 0 0 "[ . 1 . 2]" 1
663 1 14 LEU HB2 1 15 ILE MG 2.900 . 4.000 3.572 3.128 3.788 . 0 0 "[ . 1 . 2]" 1
664 1 19 ILE HG12 1 19 ILE MG 2.700 . 3.600 2.129 1.918 2.300 . 0 0 "[ . 1 . 2]" 1
665 1 18 ALA HA 1 18 ALA MB 1.800 . 2.200 1.672 1.656 1.682 . 0 0 "[ . 1 . 2]" 1
666 1 18 ALA HA 1 18 ALA MB 1.900 . 2.300 1.876 1.859 1.891 . 0 0 "[ . 1 . 2]" 1
667 1 15 ILE MG 1 18 ALA MB 2.700 . 3.600 3.218 3.010 3.746 0.146 1 0 "[ . 1 . 2]" 1
668 1 18 ALA MB 1 19 ILE MD 2.600 . 3.400 3.200 2.929 3.420 0.020 18 0 "[ . 1 . 2]" 1
669 1 60 ALA MB 1 64 GLU HB2 2.700 . 3.600 3.057 2.964 3.160 . 0 0 "[ . 1 . 2]" 1
670 1 15 ILE MG 1 18 ALA MB 3.200 . 4.400 3.150 2.643 3.642 . 0 0 "[ . 1 . 2]" 1
671 1 15 ILE MG 1 18 ALA MB 2.800 . 3.700 2.711 2.166 3.013 . 0 0 "[ . 1 . 2]" 1
672 1 39 VAL QG 1 40 GLU HA 3.600 . 5.200 3.098 2.782 3.766 . 0 0 "[ . 1 . 2]" 1
673 1 37 PRO HB2 1 38 VAL QG 3.400 . 4.900 3.026 2.063 4.045 . 0 0 "[ . 1 . 2]" 1
674 1 38 VAL HA 1 38 VAL MG2 3.200 . 4.500 2.285 2.015 2.850 . 0 0 "[ . 1 . 2]" 1
675 1 34 PRO HB2 1 34 PRO HD3 3.800 . 5.600 3.304 2.851 3.551 . 0 0 "[ . 1 . 2]" 1
676 1 8 PRO HB2 1 8 PRO HD2 2.900 . 3.900 2.675 2.487 2.921 . 0 0 "[ . 1 . 2]" 1
677 1 8 PRO HD2 1 8 PRO HG3 2.300 . 3.000 1.978 1.944 2.003 . 0 0 "[ . 1 . 2]" 1
678 1 37 PRO HB2 1 37 PRO HD3 3.800 . 5.600 3.820 3.544 3.935 . 0 0 "[ . 1 . 2]" 1
679 1 8 PRO HD2 1 8 PRO HG2 2.200 . 2.800 2.056 2.033 2.071 . 0 0 "[ . 1 . 2]" 1
680 1 7 THR HB 1 8 PRO HD2 3.200 . 4.500 2.981 2.299 3.304 . 0 0 "[ . 1 . 2]" 1
681 1 68 GLU HA 1 68 GLU HG2 2.600 . 3.500 2.669 2.244 2.984 . 0 0 "[ . 1 . 2]" 1
682 1 20 GLU HA 1 20 GLU HG2 2.600 . 3.400 2.467 2.130 2.880 . 0 0 "[ . 1 . 2]" 1
683 1 70 GLU HA 1 73 LYS HD2 3.000 . 4.100 3.359 2.038 4.005 . 0 0 "[ . 1 . 2]" 1
684 1 14 LEU HA 1 14 LEU MD2 2.700 . 3.600 2.039 1.816 2.735 . 0 0 "[ . 1 . 2]" 1
685 1 58 LEU HA 1 58 LEU MD1 2.300 . 2.900 2.060 1.678 3.513 0.613 3 2 "[ + . 1 - . 2]" 1
686 1 20 GLU HB3 1 24 LYS HA 2.300 . 6.000 4.668 4.104 5.559 . 0 0 "[ . 1 . 2]" 1
687 1 24 LYS HA 1 24 LYS QB 2.000 . 2.500 2.110 2.079 2.177 . 0 0 "[ . 1 . 2]" 1
688 1 67 ARG HA 1 67 ARG HG3 2.800 . 3.700 2.679 2.285 3.366 . 0 0 "[ . 1 . 2]" 1
689 1 17 LYS HA 1 17 LYS HG2 2.900 . 4.000 2.755 2.300 3.675 . 0 0 "[ . 1 . 2]" 1
690 1 63 GLN HA 1 63 GLN QG 2.800 . 3.800 2.377 2.227 2.703 . 0 0 "[ . 1 . 2]" 1
691 1 70 GLU HA 1 73 LYS HE2 4.000 . 6.000 4.021 2.411 4.937 . 0 0 "[ . 1 . 2]" 1
692 1 21 LEU HA 1 21 LEU QD 2.400 . 3.100 2.082 1.704 2.804 . 0 0 "[ . 1 . 2]" 1
693 1 10 ASP HA 1 11 GLU HB2 3.300 . 4.700 4.103 3.827 4.286 . 0 0 "[ . 1 . 2]" 1
694 1 61 ALA HA 1 64 GLU QB 2.700 . 3.600 2.928 2.586 3.602 0.002 2 0 "[ . 1 . 2]" 1
695 1 16 ARG HG3 1 18 ALA HA 3.000 . 6.000 6.057 5.690 6.267 0.267 7 0 "[ . 1 . 2]" 1
696 1 18 ALA HA 1 18 ALA MB 1.900 . 2.300 1.754 1.738 1.766 . 0 0 "[ . 1 . 2]" 1
697 1 61 ALA HA 1 64 GLU QG 3.400 . 4.800 3.597 2.041 4.602 . 0 0 "[ . 1 . 2]" 1
698 1 21 LEU HA 1 21 LEU MD2 2.200 . 2.800 2.305 1.707 3.438 0.638 10 2 "[ . + . -2]" 1
699 1 14 LEU MD2 1 17 LYS HG3 3.300 . 4.700 3.869 3.548 4.272 . 0 0 "[ . 1 . 2]" 1
700 1 23 LEU HB3 1 23 LEU MD2 2.200 . 2.800 1.858 1.792 1.898 . 0 0 "[ . 1 . 2]" 1
701 1 14 LEU HB3 1 14 LEU MD2 2.600 . 3.400 2.124 1.916 2.314 . 0 0 "[ . 1 . 2]" 1
702 1 14 LEU MD2 1 14 LEU HG 2.000 . 2.500 1.820 1.767 1.878 . 0 0 "[ . 1 . 2]" 1
703 1 24 LYS QE 1 24 LYS HG3 3.500 . 5.000 2.441 2.133 3.123 . 0 0 "[ . 1 . 2]" 1
704 1 14 LEU HA 1 14 LEU MD1 3.300 . 4.700 3.380 2.068 3.766 . 0 0 "[ . 1 . 2]" 1
705 1 37 PRO HA 1 38 VAL QG 3.000 . 4.100 3.555 3.040 4.075 . 0 0 "[ . 1 . 2]" 1
706 1 11 GLU HA 1 14 LEU MD1 2.700 . 3.600 2.502 2.033 2.852 . 0 0 "[ . 1 . 2]" 1
707 1 21 LEU HA 1 21 LEU MD1 2.700 . 3.600 2.394 1.755 3.450 0.045 10 0 "[ . 1 . 2]" 1
708 1 14 LEU MD2 1 17 LYS QE 2.900 . 3.900 3.028 2.290 3.925 0.025 12 0 "[ . 1 . 2]" 1
709 1 16 ARG QB 1 16 ARG QD 2.400 . 3.100 1.989 1.873 2.182 . 0 0 "[ . 1 . 2]" 1
710 1 15 ILE MD 1 15 ILE HG13 2.000 . 2.500 1.871 1.857 1.889 . 0 0 "[ . 1 . 2]" 1
711 1 15 ILE HB 1 15 ILE MD 2.200 . 2.800 2.119 1.978 2.347 . 0 0 "[ . 1 . 2]" 1
712 1 11 GLU QB 1 15 ILE MD 2.900 . 3.900 3.040 1.956 3.660 . 0 0 "[ . 1 . 2]" 1
713 1 11 GLU QG 1 15 ILE MD 2.700 . 3.600 2.924 1.803 4.279 0.679 9 1 "[ . +1 . 2]" 1
714 1 15 ILE HA 1 15 ILE MD 2.900 . 4.000 2.667 1.906 3.432 . 0 0 "[ . 1 . 2]" 1
715 1 12 GLU HA 1 15 ILE MD 2.500 . 3.300 2.396 1.951 2.965 . 0 0 "[ . 1 . 2]" 1
716 1 15 ILE MD 1 15 ILE HG12 1.800 . 2.200 1.664 1.653 1.677 . 0 0 "[ . 1 . 2]" 1
717 1 15 ILE MD 1 15 ILE MG 1.400 . 2.200 1.673 1.513 1.978 . 0 0 "[ . 1 . 2]" 1
718 1 11 GLU QG 1 15 ILE MD 2.500 . 3.300 2.734 1.795 3.654 0.354 20 0 "[ . 1 . 2]" 1
719 1 11 GLU QG 1 14 LEU MD1 2.400 . 3.100 2.805 2.120 3.402 0.302 7 0 "[ . 1 . 2]" 1
720 1 24 LYS HA 1 25 GLU QG 2.500 . 6.000 5.268 3.837 6.165 0.165 20 0 "[ . 1 . 2]" 1
721 1 70 GLU HA 1 73 LYS QD 3.100 . 4.300 3.178 2.037 3.879 . 0 0 "[ . 1 . 2]" 1
722 1 27 ARG HB3 1 27 ARG HG2 2.000 . 2.500 2.132 1.998 2.269 . 0 0 "[ . 1 . 2]" 1
723 1 15 ILE MG 1 16 ARG HG2 3.200 . 4.500 4.108 3.493 4.744 0.244 3 0 "[ . 1 . 2]" 1
724 1 57 ASP HB2 1 60 ALA MB 3.600 . 5.200 4.638 4.341 4.977 . 0 0 "[ . 1 . 2]" 1
725 1 18 ALA MB 1 22 SER QB 3.500 . 5.000 3.582 2.749 4.040 . 0 0 "[ . 1 . 2]" 1
726 1 64 GLU QB 1 65 SER QB 3.600 . 5.200 3.624 3.258 3.912 . 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 50
_Distance_constraint_stats_list.Viol_count 175
_Distance_constraint_stats_list.Viol_total 68.993
_Distance_constraint_stats_list.Viol_max 0.066
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0197
_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 11 GLU 0.287 0.051 19 0 "[ . 1 . 2]"
1 12 GLU 0.012 0.012 1 0 "[ . 1 . 2]"
1 13 GLU 0.447 0.052 19 0 "[ . 1 . 2]"
1 14 LEU 0.060 0.030 2 0 "[ . 1 . 2]"
1 15 ILE 0.510 0.051 19 0 "[ . 1 . 2]"
1 16 ARG 0.280 0.056 18 0 "[ . 1 . 2]"
1 17 LYS 0.552 0.052 19 0 "[ . 1 . 2]"
1 18 ALA 0.280 0.034 18 0 "[ . 1 . 2]"
1 19 ILE 0.263 0.040 20 0 "[ . 1 . 2]"
1 20 GLU 0.433 0.063 18 0 "[ . 1 . 2]"
1 21 LEU 0.105 0.045 11 0 "[ . 1 . 2]"
1 22 SER 0.220 0.034 18 0 "[ . 1 . 2]"
1 23 LEU 0.040 0.020 3 0 "[ . 1 . 2]"
1 24 LYS 0.164 0.063 18 0 "[ . 1 . 2]"
1 57 ASP 0.102 0.040 13 0 "[ . 1 . 2]"
1 58 LEU 0.219 0.066 10 0 "[ . 1 . 2]"
1 59 LYS 0.251 0.053 7 0 "[ . 1 . 2]"
1 60 ALA 0.050 0.020 19 0 "[ . 1 . 2]"
1 61 ALA 0.181 0.040 13 0 "[ . 1 . 2]"
1 62 ILE 0.294 0.066 10 0 "[ . 1 . 2]"
1 63 GLN 0.336 0.053 7 0 "[ . 1 . 2]"
1 64 GLU 0.057 0.020 19 0 "[ . 1 . 2]"
1 65 SER 0.242 0.041 8 0 "[ . 1 . 2]"
1 66 LEU 0.170 0.035 14 0 "[ . 1 . 2]"
1 67 ARG 0.164 0.025 1 0 "[ . 1 . 2]"
1 68 GLU 0.019 0.012 1 0 "[ . 1 . 2]"
1 69 ALA 0.277 0.041 8 0 "[ . 1 . 2]"
1 70 GLU 0.156 0.057 10 0 "[ . 1 . 2]"
1 71 GLU 0.312 0.033 4 0 "[ . 1 . 2]"
1 72 ALA 0.012 0.012 1 0 "[ . 1 . 2]"
1 73 LYS 0.113 0.038 8 0 "[ . 1 . 2]"
1 74 LEU 0.061 0.057 10 0 "[ . 1 . 2]"
1 75 ARG 0.233 0.033 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 57 ASP O 1 61 ALA H 1.900 . 2.100 2.042 1.946 2.140 0.040 13 0 "[ . 1 . 2]" 2
2 1 57 ASP O 1 61 ALA N 2.900 2.700 3.100 2.959 2.839 3.093 . 0 0 "[ . 1 . 2]" 2
3 1 58 LEU O 1 62 ILE H 1.900 . 2.100 2.063 1.865 2.166 0.066 10 0 "[ . 1 . 2]" 2
4 1 58 LEU O 1 62 ILE N 2.900 2.700 3.100 3.016 2.818 3.107 0.007 10 0 "[ . 1 . 2]" 2
5 1 59 LYS O 1 63 GLN H 1.900 . 2.100 2.088 2.001 2.153 0.053 7 0 "[ . 1 . 2]" 2
6 1 59 LYS O 1 63 GLN N 2.900 2.700 3.100 3.028 2.951 3.108 0.008 7 0 "[ . 1 . 2]" 2
7 1 60 ALA O 1 64 GLU H 1.900 . 2.100 2.042 1.924 2.120 0.020 19 0 "[ . 1 . 2]" 2
8 1 60 ALA O 1 64 GLU N 2.900 2.700 3.100 2.977 2.821 3.066 . 0 0 "[ . 1 . 2]" 2
9 1 61 ALA O 1 65 SER H 1.900 . 2.100 2.074 2.026 2.131 0.031 19 0 "[ . 1 . 2]" 2
10 1 61 ALA O 1 65 SER N 2.900 2.700 3.100 2.993 2.872 3.074 . 0 0 "[ . 1 . 2]" 2
11 1 62 ILE O 1 66 LEU H 1.900 . 2.100 2.020 1.825 2.126 0.026 18 0 "[ . 1 . 2]" 2
12 1 62 ILE O 1 66 LEU N 2.900 2.700 3.100 2.971 2.743 3.080 . 0 0 "[ . 1 . 2]" 2
13 1 63 GLN O 1 67 ARG H 1.900 . 2.100 2.062 1.965 2.123 0.023 11 0 "[ . 1 . 2]" 2
14 1 63 GLN O 1 67 ARG N 2.900 2.700 3.100 2.986 2.874 3.083 . 0 0 "[ . 1 . 2]" 2
15 1 64 GLU O 1 68 GLU H 1.900 . 2.100 2.023 1.939 2.104 0.004 8 0 "[ . 1 . 2]" 2
16 1 64 GLU O 1 68 GLU N 2.900 2.700 3.100 2.958 2.862 3.049 . 0 0 "[ . 1 . 2]" 2
17 1 65 SER O 1 69 ALA H 1.900 . 2.100 2.092 2.004 2.141 0.041 8 0 "[ . 1 . 2]" 2
18 1 65 SER O 1 69 ALA N 2.900 2.700 3.100 3.018 2.919 3.082 . 0 0 "[ . 1 . 2]" 2
19 1 66 LEU O 1 70 GLU H 1.900 . 2.100 2.052 1.932 2.135 0.035 14 0 "[ . 1 . 2]" 2
20 1 66 LEU O 1 70 GLU N 2.900 2.700 3.100 2.982 2.845 3.078 . 0 0 "[ . 1 . 2]" 2
21 1 67 ARG O 1 71 GLU H 1.900 . 2.100 2.067 1.975 2.125 0.025 1 0 "[ . 1 . 2]" 2
22 1 67 ARG O 1 71 GLU N 2.900 2.700 3.100 3.014 2.917 3.066 . 0 0 "[ . 1 . 2]" 2
23 1 68 GLU O 1 72 ALA H 1.900 . 2.100 2.017 1.914 2.112 0.012 1 0 "[ . 1 . 2]" 2
24 1 68 GLU O 1 72 ALA N 2.900 2.700 3.100 2.951 2.810 3.073 . 0 0 "[ . 1 . 2]" 2
25 1 69 ALA O 1 73 LYS H 1.900 . 2.100 2.059 1.925 2.138 0.038 8 0 "[ . 1 . 2]" 2
26 1 69 ALA O 1 73 LYS N 2.900 2.700 3.100 2.999 2.876 3.102 0.002 14 0 "[ . 1 . 2]" 2
27 1 70 GLU O 1 74 LEU H 1.900 . 2.100 2.041 1.934 2.157 0.057 10 0 "[ . 1 . 2]" 2
28 1 70 GLU O 1 74 LEU N 2.900 2.700 3.100 2.958 2.813 3.087 . 0 0 "[ . 1 . 2]" 2
29 1 71 GLU O 1 75 ARG H 1.900 . 2.100 2.067 1.939 2.133 0.033 4 0 "[ . 1 . 2]" 2
30 1 71 GLU O 1 75 ARG N 2.900 2.700 3.100 3.017 2.885 3.111 0.011 13 0 "[ . 1 . 2]" 2
31 1 11 GLU O 1 15 ILE H 1.900 . 2.100 2.063 1.861 2.151 0.051 19 0 "[ . 1 . 2]" 2
32 1 11 GLU O 1 15 ILE N 2.900 2.700 3.100 3.016 2.836 3.125 0.025 19 0 "[ . 1 . 2]" 2
33 1 12 GLU O 1 16 ARG H 1.900 . 2.100 1.997 1.891 2.112 0.012 1 0 "[ . 1 . 2]" 2
34 1 12 GLU O 1 16 ARG N 2.900 2.700 3.100 2.936 2.797 3.086 . 0 0 "[ . 1 . 2]" 2
35 1 13 GLU O 1 17 LYS H 1.900 . 2.100 2.110 2.022 2.152 0.052 19 0 "[ . 1 . 2]" 2
36 1 13 GLU O 1 17 LYS N 2.900 2.700 3.100 3.054 2.957 3.111 0.011 18 0 "[ . 1 . 2]" 2
37 1 14 LEU O 1 18 ALA H 1.900 . 2.100 2.025 1.890 2.130 0.030 2 0 "[ . 1 . 2]" 2
38 1 14 LEU O 1 18 ALA N 2.900 2.700 3.100 2.953 2.823 3.074 . 0 0 "[ . 1 . 2]" 2
39 1 15 ILE O 1 19 ILE H 1.900 . 2.100 2.100 2.020 2.140 0.040 20 0 "[ . 1 . 2]" 2
40 1 15 ILE O 1 19 ILE N 2.900 2.700 3.100 3.043 2.933 3.101 0.001 16 0 "[ . 1 . 2]" 2
41 1 16 ARG O 1 20 GLU H 1.900 . 2.100 2.070 1.889 2.156 0.056 18 0 "[ . 1 . 2]" 2
42 1 16 ARG O 1 20 GLU N 2.900 2.700 3.100 3.017 2.854 3.094 . 0 0 "[ . 1 . 2]" 2
43 1 17 LYS O 1 21 LEU H 1.900 . 2.100 2.063 1.999 2.145 0.045 11 0 "[ . 1 . 2]" 2
44 1 17 LYS O 1 21 LEU N 2.900 2.700 3.100 2.994 2.867 3.096 . 0 0 "[ . 1 . 2]" 2
45 1 18 ALA O 1 22 SER H 1.900 . 2.100 2.067 1.948 2.134 0.034 18 0 "[ . 1 . 2]" 2
46 1 18 ALA O 1 22 SER N 2.900 2.700 3.100 2.998 2.880 3.086 . 0 0 "[ . 1 . 2]" 2
47 1 19 ILE O 1 23 LEU H 1.900 . 2.100 2.044 1.927 2.120 0.020 3 0 "[ . 1 . 2]" 2
48 1 19 ILE O 1 23 LEU N 2.900 2.700 3.100 2.990 2.852 3.071 . 0 0 "[ . 1 . 2]" 2
49 1 20 GLU O 1 24 LYS H 1.900 . 2.100 2.057 1.952 2.163 0.063 18 0 "[ . 1 . 2]" 2
50 1 20 GLU O 1 24 LYS N 2.900 2.700 3.100 2.979 2.799 3.092 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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