NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409910 |
1zv6   |
6718 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zv6
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 977
_Distance_constraint_stats_list.Viol_count 3001
_Distance_constraint_stats_list.Viol_total 4870.618
_Distance_constraint_stats_list.Viol_max 0.489
_Distance_constraint_stats_list.Viol_rms 0.0407
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0113
_Distance_constraint_stats_list.Viol_average_violations_only 0.0773
_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 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 GLY 3.153 0.197 20 0 "[ . 1 . 2 ]"
1 3 LEU 4.544 0.197 20 0 "[ . 1 . 2 ]"
1 4 GLN 1.346 0.107 9 0 "[ . 1 . 2 ]"
1 5 ILE 5.123 0.102 16 0 "[ . 1 . 2 ]"
1 6 TYR 2.013 0.112 9 0 "[ . 1 . 2 ]"
1 7 PRO 0.120 0.045 17 0 "[ . 1 . 2 ]"
1 8 TYR 9.419 0.227 3 0 "[ . 1 . 2 ]"
1 9 GLU 7.897 0.275 20 0 "[ . 1 . 2 ]"
1 10 MET 0.195 0.045 17 0 "[ . 1 . 2 ]"
1 11 LEU 7.413 0.206 16 0 "[ . 1 . 2 ]"
1 12 VAL 9.322 0.275 20 0 "[ . 1 . 2 ]"
1 13 VAL 5.656 0.248 17 0 "[ . 1 . 2 ]"
1 14 THR 0.735 0.078 9 0 "[ . 1 . 2 ]"
1 15 ASN 3.180 0.116 16 0 "[ . 1 . 2 ]"
1 16 LYS 1.351 0.093 6 0 "[ . 1 . 2 ]"
1 17 GLY 0.449 0.099 13 0 "[ . 1 . 2 ]"
1 18 ARG 5.334 0.221 8 0 "[ . 1 . 2 ]"
1 19 THR 7.167 0.359 9 0 "[ . 1 . 2 ]"
1 20 LYS 14.085 0.359 9 0 "[ . 1 . 2 ]"
1 21 LEU 26.152 0.489 21 0 "[ . 1 . 2 ]"
1 22 PRO 4.675 0.167 10 0 "[ . 1 . 2 ]"
1 23 PRO 0.005 0.003 11 0 "[ . 1 . 2 ]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 VAL 20.554 0.489 21 0 "[ . 1 . 2 ]"
1 26 ASP 0.404 0.104 21 0 "[ . 1 . 2 ]"
1 27 ARG 1.047 0.071 11 0 "[ . 1 . 2 ]"
1 28 MET 0.106 0.052 18 0 "[ . 1 . 2 ]"
1 29 ARG 1.236 0.092 17 0 "[ . 1 . 2 ]"
1 30 LEU 5.331 0.187 11 0 "[ . 1 . 2 ]"
1 31 GLU 6.898 0.140 7 0 "[ . 1 . 2 ]"
1 32 ARG 8.461 0.236 13 0 "[ . 1 . 2 ]"
1 33 HIS 6.854 0.236 13 0 "[ . 1 . 2 ]"
1 34 LEU 19.376 0.358 12 0 "[ . 1 . 2 ]"
1 35 SER 1.898 0.101 16 0 "[ . 1 . 2 ]"
1 36 ALA 2.855 0.104 16 0 "[ . 1 . 2 ]"
1 37 GLU 2.290 0.105 3 0 "[ . 1 . 2 ]"
1 38 ASP 3.168 0.105 3 0 "[ . 1 . 2 ]"
1 39 PHE 9.577 0.209 20 0 "[ . 1 . 2 ]"
1 40 SER 2.501 0.105 4 0 "[ . 1 . 2 ]"
1 41 ARG 0.480 0.080 21 0 "[ . 1 . 2 ]"
1 42 VAL 5.625 0.161 20 0 "[ . 1 . 2 ]"
1 43 PHE 5.337 0.132 5 0 "[ . 1 . 2 ]"
1 44 ALA 0.310 0.036 4 0 "[ . 1 . 2 ]"
1 45 MET 8.993 0.319 10 0 "[ . 1 . 2 ]"
1 46 SER 2.696 0.150 20 0 "[ . 1 . 2 ]"
1 47 PRO 2.864 0.109 13 0 "[ . 1 . 2 ]"
1 48 GLU 1.025 0.082 4 0 "[ . 1 . 2 ]"
1 49 GLU 9.769 0.319 10 0 "[ . 1 . 2 ]"
1 50 PHE 8.221 0.232 10 0 "[ . 1 . 2 ]"
1 51 GLY 0.243 0.074 20 0 "[ . 1 . 2 ]"
1 52 LYS 0.037 0.024 4 0 "[ . 1 . 2 ]"
1 53 LEU 15.357 0.375 10 0 "[ . 1 . 2 ]"
1 54 ALA 7.980 0.375 10 0 "[ . 1 . 2 ]"
1 55 LEU 5.445 0.117 12 0 "[ . 1 . 2 ]"
1 56 TRP 28.175 0.478 2 0 "[ . 1 . 2 ]"
1 57 LYS 6.713 0.265 20 0 "[ . 1 . 2 ]"
1 58 ARG 5.874 0.208 15 0 "[ . 1 . 2 ]"
1 59 ASN 6.900 0.208 15 0 "[ . 1 . 2 ]"
1 60 GLU 5.574 0.223 20 0 "[ . 1 . 2 ]"
1 61 LEU 13.868 0.169 17 0 "[ . 1 . 2 ]"
1 62 LYS 12.458 0.243 12 0 "[ . 1 . 2 ]"
1 63 LYS 9.957 0.223 20 0 "[ . 1 . 2 ]"
1 64 LYS 3.477 0.116 17 0 "[ . 1 . 2 ]"
1 65 ALA 1.675 0.103 17 0 "[ . 1 . 2 ]"
1 66 GLU 0.798 0.075 7 0 "[ . 1 . 2 ]"
1 67 LEU 19.011 0.248 17 0 "[ . 1 . 2 ]"
1 68 PHE 4.410 0.184 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 3 LEU HB3 1 4 GLN H 3.440 . 3.800 3.398 3.227 3.686 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 LEU HA 1 4 GLN H 2.470 . 2.800 2.403 2.391 2.414 . 0 0 "[ . 1 . 2 ]" 1
3 1 3 LEU H 1 3 LEU HB3 3.510 . 3.800 3.382 2.970 3.532 . 0 0 "[ . 1 . 2 ]" 1
4 1 3 LEU H 1 3 LEU HB2 2.980 . 3.800 3.576 3.491 3.708 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 LEU H 1 3 LEU HG 3.630 . 3.800 2.179 1.846 3.695 . 0 0 "[ . 1 . 2 ]" 1
6 1 3 LEU HB3 1 33 HIS HE1 3.700 . 3.800 3.162 2.341 3.828 0.028 16 0 "[ . 1 . 2 ]" 1
7 1 4 GLN H 1 5 ILE H 3.810 . 5.000 4.571 4.493 4.625 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 GLN H 1 4 GLN HB2 3.030 . 3.800 3.494 3.423 3.551 . 0 0 "[ . 1 . 2 ]" 1
9 1 4 GLN HB3 1 5 ILE H 3.470 . 3.800 3.710 3.438 3.825 0.025 1 0 "[ . 1 . 2 ]" 1
10 1 4 GLN HA 1 5 ILE H 2.530 . 2.800 2.190 2.117 2.300 . 0 0 "[ . 1 . 2 ]" 1
11 1 4 GLN HA 1 5 ILE HB 4.400 . 5.000 4.765 4.573 4.965 . 0 0 "[ . 1 . 2 ]" 1
12 1 4 GLN H 1 4 GLN HB3 3.660 . 3.800 3.150 2.982 3.333 . 0 0 "[ . 1 . 2 ]" 1
13 1 5 ILE H 1 5 ILE HB 2.860 . 3.800 2.734 2.637 2.874 . 0 0 "[ . 1 . 2 ]" 1
14 1 5 ILE HB 1 6 TYR H 4.050 . 5.000 4.032 3.701 4.247 . 0 0 "[ . 1 . 2 ]" 1
15 1 5 ILE HA 1 6 TYR H 3.240 . 3.800 2.171 2.122 2.284 . 0 0 "[ . 1 . 2 ]" 1
16 1 6 TYR H 1 6 TYR HB2 4.050 . 5.000 2.875 2.632 3.238 . 0 0 "[ . 1 . 2 ]" 1
17 1 6 TYR H 1 6 TYR HB3 3.690 . 3.800 3.825 3.737 3.912 0.112 9 0 "[ . 1 . 2 ]" 1
18 1 7 PRO HA 1 9 GLU H 4.040 . 5.000 4.888 4.732 5.003 0.003 21 0 "[ . 1 . 2 ]" 1
19 1 7 PRO HA 1 8 TYR H 2.720 . 2.800 2.445 2.388 2.482 . 0 0 "[ . 1 . 2 ]" 1
20 1 8 TYR H 1 8 TYR HB3 2.970 . 3.800 2.212 2.152 2.257 . 0 0 "[ . 1 . 2 ]" 1
21 1 8 TYR H 1 8 TYR HB2 3.010 . 3.800 2.979 2.890 3.097 . 0 0 "[ . 1 . 2 ]" 1
22 1 8 TYR HB2 1 9 GLU H 3.640 . 3.800 3.824 3.794 3.863 0.063 15 0 "[ . 1 . 2 ]" 1
23 1 8 TYR H 1 9 GLU H 3.390 . 3.800 2.647 2.568 2.710 . 0 0 "[ . 1 . 2 ]" 1
24 1 8 TYR HA 1 11 LEU H 4.090 . 5.000 3.276 3.030 3.489 . 0 0 "[ . 1 . 2 ]" 1
25 1 8 TYR HA 1 9 GLU H 3.760 . 3.800 3.576 3.567 3.582 . 0 0 "[ . 1 . 2 ]" 1
26 1 8 TYR HB3 1 9 GLU H 3.290 . 3.800 2.439 2.389 2.503 . 0 0 "[ . 1 . 2 ]" 1
27 1 9 GLU HA 1 11 LEU H 4.060 . 5.000 4.166 3.854 4.483 . 0 0 "[ . 1 . 2 ]" 1
28 1 9 GLU HA 1 12 VAL HB 3.560 . 3.800 3.881 3.820 3.975 0.175 3 0 "[ . 1 . 2 ]" 1
29 1 9 GLU H 1 11 LEU H 4.100 . 5.000 4.119 3.960 4.477 . 0 0 "[ . 1 . 2 ]" 1
30 1 9 GLU HA 1 10 MET H 4.000 . 5.000 3.524 3.466 3.574 . 0 0 "[ . 1 . 2 ]" 1
31 1 9 GLU H 1 10 MET H 3.200 . 3.800 2.915 2.744 3.044 . 0 0 "[ . 1 . 2 ]" 1
32 1 9 GLU H 1 9 GLU HB2 3.320 . 3.800 2.490 2.091 3.599 . 0 0 "[ . 1 . 2 ]" 1
33 1 9 GLU H 1 9 GLU HA 2.800 . 3.800 2.735 2.711 2.777 . 0 0 "[ . 1 . 2 ]" 1
34 1 10 MET H 1 11 LEU H 3.000 . 3.800 2.456 2.221 2.592 . 0 0 "[ . 1 . 2 ]" 1
35 1 11 LEU H 1 11 LEU HB2 3.460 . 3.800 2.395 2.066 3.027 . 0 0 "[ . 1 . 2 ]" 1
36 1 11 LEU H 1 11 LEU HG 3.200 . 3.800 2.752 2.092 3.128 . 0 0 "[ . 1 . 2 ]" 1
37 1 11 LEU HB2 1 11 LEU HG 2.860 . 3.800 2.457 2.357 2.555 . 0 0 "[ . 1 . 2 ]" 1
38 1 11 LEU H 1 12 VAL H 3.750 . 3.800 2.494 2.340 2.631 . 0 0 "[ . 1 . 2 ]" 1
39 1 11 LEU H 1 11 LEU HB3 3.780 . 3.800 3.565 3.393 3.722 . 0 0 "[ . 1 . 2 ]" 1
40 1 12 VAL H 1 12 VAL HB 3.750 . 3.800 2.691 2.595 2.871 . 0 0 "[ . 1 . 2 ]" 1
41 1 12 VAL HB 1 13 VAL H 3.730 . 3.800 3.552 3.334 3.833 0.033 11 0 "[ . 1 . 2 ]" 1
42 1 12 VAL HA 1 13 VAL H 3.120 . 3.800 2.413 2.263 2.507 . 0 0 "[ . 1 . 2 ]" 1
43 1 12 VAL H 1 16 LYS HB3 4.150 . 5.000 4.633 3.854 5.093 0.093 6 0 "[ . 1 . 2 ]" 1
44 1 13 VAL H 1 13 VAL HB 3.560 . 3.800 2.542 2.461 2.668 . 0 0 "[ . 1 . 2 ]" 1
45 1 13 VAL HB 1 14 THR H 3.610 . 3.800 2.048 1.971 2.179 . 0 0 "[ . 1 . 2 ]" 1
46 1 13 VAL H 1 14 THR H 3.560 . 3.800 2.756 2.656 2.953 . 0 0 "[ . 1 . 2 ]" 1
47 1 13 VAL HA 1 14 THR H 3.570 . 3.800 3.584 3.574 3.600 . 0 0 "[ . 1 . 2 ]" 1
48 1 14 THR H 1 15 ASN H 3.470 . 3.800 2.443 2.235 2.814 . 0 0 "[ . 1 . 2 ]" 1
49 1 14 THR MG 1 15 ASN H 3.950 . 5.000 2.849 1.860 3.411 . 0 0 "[ . 1 . 2 ]" 1
50 1 15 ASN HB3 1 16 LYS H 4.150 . 5.000 3.803 3.348 4.298 . 0 0 "[ . 1 . 2 ]" 1
51 1 15 ASN HA 1 15 ASN HB3 . . 2.800 2.442 2.334 2.486 . 0 0 "[ . 1 . 2 ]" 1
52 1 15 ASN HA 1 16 LYS H 3.400 . 3.800 3.537 3.326 3.593 . 0 0 "[ . 1 . 2 ]" 1
53 1 15 ASN H 1 15 ASN HB3 3.170 . 3.800 3.501 2.482 3.704 . 0 0 "[ . 1 . 2 ]" 1
54 1 15 ASN H 1 16 LYS H 3.650 . 3.800 3.082 2.212 3.398 . 0 0 "[ . 1 . 2 ]" 1
55 1 15 ASN H 1 15 ASN HB2 3.570 . 3.800 2.785 2.556 3.622 . 0 0 "[ . 1 . 2 ]" 1
56 1 16 LYS H 1 16 LYS HB2 3.480 . 3.800 2.411 2.244 2.827 . 0 0 "[ . 1 . 2 ]" 1
57 1 16 LYS HA 1 17 GLY H 3.400 . 3.800 3.000 2.954 3.510 . 0 0 "[ . 1 . 2 ]" 1
58 1 16 LYS H 1 16 LYS HB3 3.320 . 3.800 3.529 3.429 3.803 0.003 18 0 "[ . 1 . 2 ]" 1
59 1 18 ARG H 1 18 ARG HB3 3.190 . 3.800 3.495 2.633 3.917 0.117 9 0 "[ . 1 . 2 ]" 1
60 1 18 ARG H 1 18 ARG HB2 3.350 . 3.800 3.457 2.845 3.936 0.136 20 0 "[ . 1 . 2 ]" 1
61 1 18 ARG HB3 1 19 THR H 4.510 . 5.000 2.955 1.941 3.941 . 0 0 "[ . 1 . 2 ]" 1
62 1 18 ARG H 1 19 THR H 3.990 . 5.000 3.252 1.981 4.265 . 0 0 "[ . 1 . 2 ]" 1
63 1 18 ARG H 1 20 LYS HB2 3.780 . 3.800 3.652 2.938 4.021 0.221 8 0 "[ . 1 . 2 ]" 1
64 1 19 THR H 1 19 THR HA 2.930 . 3.800 2.870 2.757 2.933 . 0 0 "[ . 1 . 2 ]" 1
65 1 19 THR HB 1 20 LYS H 3.320 . 3.800 3.773 2.328 4.159 0.359 9 0 "[ . 1 . 2 ]" 1
66 1 19 THR H 1 19 THR HB 4.060 . 5.000 2.533 2.115 3.327 . 0 0 "[ . 1 . 2 ]" 1
67 1 19 THR H 1 19 THR MG 3.390 . 3.800 3.022 1.915 3.650 . 0 0 "[ . 1 . 2 ]" 1
68 1 20 LYS HB3 1 21 LEU H 4.190 . 5.000 4.364 4.281 4.462 . 0 0 "[ . 1 . 2 ]" 1
69 1 20 LYS H 1 20 LYS HB3 3.110 . 3.800 3.690 3.510 3.971 0.171 2 0 "[ . 1 . 2 ]" 1
70 1 20 LYS H 1 20 LYS HB2 3.170 . 3.800 2.685 2.217 3.366 . 0 0 "[ . 1 . 2 ]" 1
71 1 20 LYS H 1 20 LYS HA 2.520 . 2.800 2.642 2.276 2.902 0.102 21 0 "[ . 1 . 2 ]" 1
72 1 20 LYS HA 1 21 LEU H 2.920 . 3.800 2.998 2.796 3.246 . 0 0 "[ . 1 . 2 ]" 1
73 1 20 LYS HB2 1 21 LEU H 3.440 . 3.800 3.969 3.692 4.118 0.318 11 0 "[ . 1 . 2 ]" 1
74 1 20 LYS H 1 21 LEU H 3.270 . 3.800 2.957 2.710 3.249 . 0 0 "[ . 1 . 2 ]" 1
75 1 21 LEU H 1 21 LEU HB2 3.680 . 3.800 2.496 1.988 3.223 . 0 0 "[ . 1 . 2 ]" 1
76 1 21 LEU HG 1 25 VAL HA 3.540 . 3.800 4.144 3.949 4.289 0.489 21 0 "[ . 1 . 2 ]" 1
77 1 21 LEU H 1 21 LEU HG 2.950 . 3.800 3.634 2.255 4.199 0.399 18 0 "[ . 1 . 2 ]" 1
78 1 21 LEU H 1 21 LEU HB3 3.410 . 3.800 3.457 3.327 3.563 . 0 0 "[ . 1 . 2 ]" 1
79 1 23 PRO HA 1 24 GLY H 2.880 . 3.800 2.205 2.181 2.217 . 0 0 "[ . 1 . 2 ]" 1
80 1 24 GLY H 1 25 VAL H 3.360 . 3.800 2.335 2.034 2.491 . 0 0 "[ . 1 . 2 ]" 1
81 1 25 VAL H 1 26 ASP H 4.310 . 5.000 4.286 4.159 4.463 . 0 0 "[ . 1 . 2 ]" 1
82 1 25 VAL HA 1 33 HIS HE1 3.760 . 3.800 3.831 3.799 3.849 0.049 17 0 "[ . 1 . 2 ]" 1
83 1 25 VAL HA 1 30 LEU HG 4.230 . 5.000 5.086 5.037 5.142 0.142 11 0 "[ . 1 . 2 ]" 1
84 1 25 VAL H 1 25 VAL HB 2.950 . 3.800 3.283 2.948 3.529 . 0 0 "[ . 1 . 2 ]" 1
85 1 25 VAL HA 1 33 HIS HD2 4.560 . 5.000 3.228 2.636 4.126 . 0 0 "[ . 1 . 2 ]" 1
86 1 25 VAL HB 1 26 ASP H 3.710 . 3.800 3.595 3.324 3.904 0.104 21 0 "[ . 1 . 2 ]" 1
87 1 26 ASP H 1 26 ASP HB3 3.370 . 3.800 2.980 2.788 3.175 . 0 0 "[ . 1 . 2 ]" 1
88 1 26 ASP HA 1 27 ARG H 2.700 . 2.800 2.252 2.162 2.291 . 0 0 "[ . 1 . 2 ]" 1
89 1 26 ASP HA 1 28 MET H 3.860 . 5.000 3.912 3.764 4.056 . 0 0 "[ . 1 . 2 ]" 1
90 1 26 ASP H 1 27 ARG H 3.870 . 5.000 4.358 4.156 4.459 . 0 0 "[ . 1 . 2 ]" 1
91 1 26 ASP H 1 26 ASP HB2 3.330 . 3.800 3.037 2.651 3.229 . 0 0 "[ . 1 . 2 ]" 1
92 1 27 ARG H 1 29 ARG H 4.020 . 5.000 4.729 4.610 4.841 . 0 0 "[ . 1 . 2 ]" 1
93 1 27 ARG HA 1 28 MET H 3.770 . 3.800 3.446 3.374 3.494 . 0 0 "[ . 1 . 2 ]" 1
94 1 27 ARG H 1 28 MET H 2.990 . 3.800 2.782 2.647 2.895 . 0 0 "[ . 1 . 2 ]" 1
95 1 27 ARG HA 1 30 LEU H 3.770 . 3.800 3.182 2.817 3.802 0.002 21 0 "[ . 1 . 2 ]" 1
96 1 28 MET H 1 29 ARG H 3.240 . 3.800 2.855 2.709 2.945 . 0 0 "[ . 1 . 2 ]" 1
97 1 28 MET HA 1 29 ARG H 3.960 . 5.000 3.546 3.522 3.565 . 0 0 "[ . 1 . 2 ]" 1
98 1 29 ARG H 1 29 ARG HB3 3.610 . 3.800 3.574 3.423 3.685 . 0 0 "[ . 1 . 2 ]" 1
99 1 29 ARG HB3 1 32 ARG H 4.320 . 5.000 5.042 5.018 5.064 0.064 4 0 "[ . 1 . 2 ]" 1
100 1 29 ARG HA 1 30 LEU H 3.470 . 3.800 2.758 2.452 2.980 . 0 0 "[ . 1 . 2 ]" 1
101 1 29 ARG H 1 29 ARG HB2 4.030 . 5.000 3.764 3.633 3.853 . 0 0 "[ . 1 . 2 ]" 1
102 1 29 ARG H 1 30 LEU H 3.230 . 3.800 2.584 2.223 3.084 . 0 0 "[ . 1 . 2 ]" 1
103 1 30 LEU H 1 30 LEU HG 3.600 . 3.800 3.019 2.883 3.232 . 0 0 "[ . 1 . 2 ]" 1
104 1 30 LEU H 1 31 GLU H 3.440 . 3.800 2.707 2.453 2.877 . 0 0 "[ . 1 . 2 ]" 1
105 1 30 LEU HA 1 31 GLU H 3.880 . 5.000 3.508 3.469 3.566 . 0 0 "[ . 1 . 2 ]" 1
106 1 31 GLU H 1 32 ARG H 2.950 . 3.800 2.749 2.690 2.853 . 0 0 "[ . 1 . 2 ]" 1
107 1 31 GLU H 1 31 GLU HA 2.890 . 3.800 2.853 2.825 2.877 . 0 0 "[ . 1 . 2 ]" 1
108 1 31 GLU HA 1 67 LEU HB2 3.920 . 5.000 4.858 4.483 5.069 0.069 10 0 "[ . 1 . 2 ]" 1
109 1 31 GLU H 1 31 GLU HB2 3.470 . 3.800 3.603 3.561 3.640 . 0 0 "[ . 1 . 2 ]" 1
110 1 31 GLU H 1 31 GLU HB3 3.050 . 3.800 2.525 2.321 2.899 . 0 0 "[ . 1 . 2 ]" 1
111 1 32 ARG HA 1 33 HIS H 3.740 . 3.800 3.347 3.264 3.396 . 0 0 "[ . 1 . 2 ]" 1
112 1 32 ARG H 1 34 LEU H 4.080 . 5.000 3.591 3.501 3.751 . 0 0 "[ . 1 . 2 ]" 1
113 1 32 ARG H 1 33 HIS HB3 4.470 . 5.000 5.190 5.150 5.236 0.236 13 0 "[ . 1 . 2 ]" 1
114 1 33 HIS H 1 34 LEU H 3.050 . 3.800 2.354 2.204 2.418 . 0 0 "[ . 1 . 2 ]" 1
115 1 33 HIS H 1 33 HIS HB2 3.810 . 5.000 2.216 2.133 2.385 . 0 0 "[ . 1 . 2 ]" 1
116 1 33 HIS HA 1 34 LEU H 3.610 . 3.800 3.307 3.274 3.363 . 0 0 "[ . 1 . 2 ]" 1
117 1 33 HIS H 1 33 HIS HB3 3.670 . 3.800 3.487 3.396 3.604 . 0 0 "[ . 1 . 2 ]" 1
118 1 34 LEU HB2 1 39 PHE H 3.600 . 3.800 3.698 3.501 3.811 0.011 21 0 "[ . 1 . 2 ]" 1
119 1 34 LEU H 1 34 LEU HB2 3.400 . 3.800 2.335 2.231 2.395 . 0 0 "[ . 1 . 2 ]" 1
120 1 34 LEU H 1 34 LEU HG 3.190 . 3.800 2.747 2.658 2.984 . 0 0 "[ . 1 . 2 ]" 1
121 1 34 LEU H 1 34 LEU HB3 3.150 . 3.800 3.550 3.503 3.571 . 0 0 "[ . 1 . 2 ]" 1
122 1 34 LEU HB3 1 39 PHE H 3.920 . 5.000 2.699 2.586 2.895 . 0 0 "[ . 1 . 2 ]" 1
123 1 34 LEU HA 1 35 SER H 3.040 . 3.800 2.213 2.190 2.255 . 0 0 "[ . 1 . 2 ]" 1
124 1 35 SER HA 1 36 ALA H 2.530 . 2.800 2.393 2.329 2.468 . 0 0 "[ . 1 . 2 ]" 1
125 1 35 SER H 1 38 ASP H 4.150 . 5.000 3.595 3.395 3.918 . 0 0 "[ . 1 . 2 ]" 1
126 1 35 SER H 1 36 ALA H 3.940 . 5.000 4.608 4.579 4.631 . 0 0 "[ . 1 . 2 ]" 1
127 1 35 SER H 1 38 ASP HB2 3.790 . 3.800 2.143 1.972 2.327 . 0 0 "[ . 1 . 2 ]" 1
128 1 35 SER H 1 38 ASP HB3 3.780 . 3.800 3.541 3.097 3.802 0.002 10 0 "[ . 1 . 2 ]" 1
129 1 36 ALA HA 1 40 SER H 3.710 . 3.800 3.613 3.416 3.803 0.003 4 0 "[ . 1 . 2 ]" 1
130 1 36 ALA H 1 36 ALA MB 2.360 . 2.800 2.192 2.073 2.249 . 0 0 "[ . 1 . 2 ]" 1
131 1 36 ALA H 1 37 GLU H 2.890 . 3.800 2.825 2.760 2.932 . 0 0 "[ . 1 . 2 ]" 1
132 1 36 ALA HA 1 39 PHE H 3.160 . 3.800 3.878 3.853 3.904 0.104 16 0 "[ . 1 . 2 ]" 1
133 1 37 GLU H 1 37 GLU HB3 2.890 . 3.800 3.326 3.018 3.548 . 0 0 "[ . 1 . 2 ]" 1
134 1 37 GLU HA 1 37 GLU HB2 2.850 . 3.800 2.814 2.678 2.938 . 0 0 "[ . 1 . 2 ]" 1
135 1 37 GLU HB2 1 38 ASP HA 3.370 . 3.800 3.796 3.732 3.871 0.071 12 0 "[ . 1 . 2 ]" 1
136 1 37 GLU H 1 38 ASP H 3.120 . 3.800 2.597 2.434 2.849 . 0 0 "[ . 1 . 2 ]" 1
137 1 37 GLU H 1 39 PHE H 3.930 . 5.000 4.072 3.846 4.405 . 0 0 "[ . 1 . 2 ]" 1
138 1 37 GLU HB2 1 38 ASP H 3.360 . 3.800 2.644 2.438 2.926 . 0 0 "[ . 1 . 2 ]" 1
139 1 37 GLU HA 1 41 ARG H 3.990 . 5.000 4.291 4.076 4.479 . 0 0 "[ . 1 . 2 ]" 1
140 1 37 GLU HB3 1 38 ASP H 3.410 . 3.800 3.852 3.800 3.872 0.072 12 0 "[ . 1 . 2 ]" 1
141 1 37 GLU HA 1 38 ASP H 3.200 . 3.800 3.544 3.525 3.566 . 0 0 "[ . 1 . 2 ]" 1
142 1 38 ASP HB3 1 39 PHE H 3.460 . 3.800 3.423 2.872 3.649 . 0 0 "[ . 1 . 2 ]" 1
143 1 38 ASP HA 1 41 ARG H 3.280 . 3.800 3.635 3.377 3.824 0.024 20 0 "[ . 1 . 2 ]" 1
144 1 38 ASP HB2 1 39 PHE H 3.660 . 3.800 2.444 2.271 2.699 . 0 0 "[ . 1 . 2 ]" 1
145 1 38 ASP H 1 39 PHE H 3.040 . 3.800 2.888 2.793 3.005 . 0 0 "[ . 1 . 2 ]" 1
146 1 38 ASP HB3 1 39 PHE HA 4.220 . 5.000 4.316 3.866 4.583 . 0 0 "[ . 1 . 2 ]" 1
147 1 38 ASP H 1 38 ASP HB3 3.150 . 3.800 3.572 3.459 3.593 . 0 0 "[ . 1 . 2 ]" 1
148 1 38 ASP HA 1 39 PHE H 3.830 . 5.000 3.575 3.551 3.601 . 0 0 "[ . 1 . 2 ]" 1
149 1 38 ASP H 1 38 ASP HB2 3.760 . 3.800 2.511 2.140 2.727 . 0 0 "[ . 1 . 2 ]" 1
150 1 39 PHE H 1 40 SER H 3.430 . 3.800 2.935 2.733 3.088 . 0 0 "[ . 1 . 2 ]" 1
151 1 39 PHE HZ 1 47 PRO HA 3.220 . 3.800 3.106 2.653 3.514 . 0 0 "[ . 1 . 2 ]" 1
152 1 39 PHE HZ 1 50 PHE HB3 3.290 . 3.800 3.213 2.756 3.620 . 0 0 "[ . 1 . 2 ]" 1
153 1 39 PHE HZ 1 50 PHE HB2 3.240 . 3.800 2.033 1.813 2.291 . 0 0 "[ . 1 . 2 ]" 1
154 1 39 PHE HZ 1 50 PHE H 3.530 . 3.800 3.786 3.505 3.849 0.049 13 0 "[ . 1 . 2 ]" 1
155 1 39 PHE H 1 39 PHE HA 2.990 . 3.800 2.778 2.741 2.827 . 0 0 "[ . 1 . 2 ]" 1
156 1 39 PHE H 1 41 ARG H 3.830 . 5.000 3.810 3.747 3.891 . 0 0 "[ . 1 . 2 ]" 1
157 1 39 PHE HA 1 40 SER H 3.780 . 3.800 3.566 3.554 3.585 . 0 0 "[ . 1 . 2 ]" 1
158 1 39 PHE HA 1 42 VAL HB 3.500 . 3.800 3.439 3.263 3.663 . 0 0 "[ . 1 . 2 ]" 1
159 1 40 SER H 1 41 ARG H 2.890 . 3.800 2.705 2.599 2.771 . 0 0 "[ . 1 . 2 ]" 1
160 1 40 SER H 1 40 SER HA 2.770 . 2.800 2.802 2.768 2.830 0.030 12 0 "[ . 1 . 2 ]" 1
161 1 40 SER HA 1 43 PHE H 3.640 . 3.800 3.795 3.613 3.847 0.047 21 0 "[ . 1 . 2 ]" 1
162 1 40 SER HA 1 41 ARG H 3.310 . 3.800 3.408 3.363 3.449 . 0 0 "[ . 1 . 2 ]" 1
163 1 40 SER HA 1 45 MET H 2.700 . 2.800 2.827 2.653 2.905 0.105 4 0 "[ . 1 . 2 ]" 1
164 1 41 ARG HA 1 42 VAL H 3.590 . 3.800 3.513 3.470 3.550 . 0 0 "[ . 1 . 2 ]" 1
165 1 41 ARG H 1 42 VAL H 2.940 . 3.800 2.289 2.246 2.334 . 0 0 "[ . 1 . 2 ]" 1
166 1 41 ARG H 1 42 VAL HB 3.920 . 5.000 4.774 4.691 4.877 . 0 0 "[ . 1 . 2 ]" 1
167 1 41 ARG H 1 42 VAL HA 3.890 . 5.000 4.986 4.953 5.026 0.026 4 0 "[ . 1 . 2 ]" 1
168 1 41 ARG H 1 41 ARG HA 2.820 . 3.800 2.909 2.893 2.920 . 0 0 "[ . 1 . 2 ]" 1
169 1 41 ARG H 1 43 PHE H 3.970 . 5.000 3.720 3.545 3.968 . 0 0 "[ . 1 . 2 ]" 1
170 1 42 VAL H 1 42 VAL HB 2.820 . 3.800 2.684 2.635 2.746 . 0 0 "[ . 1 . 2 ]" 1
171 1 42 VAL H 1 42 VAL HA 2.940 . 3.800 2.913 2.886 2.932 . 0 0 "[ . 1 . 2 ]" 1
172 1 42 VAL HB 1 43 PHE H 3.190 . 3.800 2.696 2.493 2.866 . 0 0 "[ . 1 . 2 ]" 1
173 1 42 VAL HA 1 43 PHE H 3.610 . 3.800 3.528 3.488 3.557 . 0 0 "[ . 1 . 2 ]" 1
174 1 43 PHE H 1 44 ALA H 3.330 . 3.800 2.167 2.031 2.258 . 0 0 "[ . 1 . 2 ]" 1
175 1 43 PHE HB3 1 44 ALA H 3.740 . 3.800 3.793 3.620 3.836 0.036 4 0 "[ . 1 . 2 ]" 1
176 1 43 PHE HA 1 44 ALA H 3.690 . 3.800 3.521 3.492 3.541 . 0 0 "[ . 1 . 2 ]" 1
177 1 43 PHE H 1 44 ALA HA 4.040 . 5.000 4.401 4.285 4.516 . 0 0 "[ . 1 . 2 ]" 1
178 1 43 PHE HB3 1 45 MET H 4.080 . 5.000 3.135 2.825 3.244 . 0 0 "[ . 1 . 2 ]" 1
179 1 43 PHE HZ 1 62 LYS HA 3.170 . 3.800 3.113 2.614 3.799 . 0 0 "[ . 1 . 2 ]" 1
180 1 43 PHE H 1 45 MET H 3.870 . 5.000 3.969 3.847 4.144 . 0 0 "[ . 1 . 2 ]" 1
181 1 43 PHE HB2 1 45 MET H 3.780 . 3.800 2.578 2.497 2.713 . 0 0 "[ . 1 . 2 ]" 1
182 1 43 PHE H 1 43 PHE HB2 3.790 . 3.800 2.508 2.426 2.575 . 0 0 "[ . 1 . 2 ]" 1
183 1 43 PHE H 1 43 PHE HB3 3.300 . 3.800 3.679 3.621 3.710 . 0 0 "[ . 1 . 2 ]" 1
184 1 44 ALA MB 1 45 MET H 3.240 . 3.800 3.457 3.319 3.505 . 0 0 "[ . 1 . 2 ]" 1
185 1 44 ALA H 1 44 ALA HA 2.980 . 3.800 2.300 2.291 2.315 . 0 0 "[ . 1 . 2 ]" 1
186 1 44 ALA HA 1 45 MET H 3.280 . 3.800 3.129 3.051 3.329 . 0 0 "[ . 1 . 2 ]" 1
187 1 44 ALA H 1 44 ALA MB 3.260 . 3.800 2.988 2.965 3.049 . 0 0 "[ . 1 . 2 ]" 1
188 1 44 ALA H 1 45 MET H 2.950 . 3.800 2.471 2.414 2.646 . 0 0 "[ . 1 . 2 ]" 1
189 1 45 MET H 1 45 MET HB3 4.060 . 5.000 3.374 2.640 3.646 . 0 0 "[ . 1 . 2 ]" 1
190 1 45 MET H 1 46 SER H 3.960 . 5.000 4.423 4.393 4.449 . 0 0 "[ . 1 . 2 ]" 1
191 1 45 MET HB3 1 46 SER H 3.760 . 3.800 3.427 3.266 3.824 0.024 13 0 "[ . 1 . 2 ]" 1
192 1 45 MET H 1 45 MET ME 3.730 . 3.800 3.649 3.358 3.795 . 0 0 "[ . 1 . 2 ]" 1
193 1 45 MET H 1 45 MET HB2 3.670 . 3.800 3.616 3.521 3.836 0.036 15 0 "[ . 1 . 2 ]" 1
194 1 45 MET HB2 1 46 SER H 3.400 . 3.800 2.567 2.076 2.703 . 0 0 "[ . 1 . 2 ]" 1
195 1 45 MET HA 1 46 SER H 3.500 . 3.800 2.380 2.303 2.513 . 0 0 "[ . 1 . 2 ]" 1
196 1 46 SER H 1 49 GLU HB2 3.830 . 5.000 2.197 1.867 2.388 . 0 0 "[ . 1 . 2 ]" 1
197 1 46 SER H 1 49 GLU H 3.880 . 5.000 3.715 3.386 3.825 . 0 0 "[ . 1 . 2 ]" 1
198 1 46 SER H 1 50 PHE H 4.000 . 5.000 4.715 4.415 4.895 . 0 0 "[ . 1 . 2 ]" 1
199 1 46 SER H 1 49 GLU HB3 3.270 . 3.800 3.433 3.175 3.582 . 0 0 "[ . 1 . 2 ]" 1
200 1 47 PRO HA 1 48 GLU H 3.510 . 3.800 3.488 3.464 3.533 . 0 0 "[ . 1 . 2 ]" 1
201 1 47 PRO HA 1 50 PHE H 3.530 . 3.800 3.872 3.850 3.909 0.109 13 0 "[ . 1 . 2 ]" 1
202 1 48 GLU H 1 49 GLU H 3.180 . 3.800 2.327 2.270 2.448 . 0 0 "[ . 1 . 2 ]" 1
203 1 48 GLU HA 1 51 GLY H 3.650 . 3.800 3.757 3.637 3.833 0.033 5 0 "[ . 1 . 2 ]" 1
204 1 48 GLU HB3 1 49 GLU H 3.600 . 3.800 3.625 2.904 3.882 0.082 4 0 "[ . 1 . 2 ]" 1
205 1 48 GLU HA 1 49 GLU H 4.050 . 5.000 3.475 3.376 3.526 . 0 0 "[ . 1 . 2 ]" 1
206 1 48 GLU H 1 48 GLU HB3 3.360 . 3.800 2.397 2.210 2.543 . 0 0 "[ . 1 . 2 ]" 1
207 1 48 GLU H 1 48 GLU HB2 2.960 . 3.800 3.411 2.941 3.616 . 0 0 "[ . 1 . 2 ]" 1
208 1 48 GLU HB2 1 49 GLU H 3.880 . 5.000 4.120 3.936 4.460 . 0 0 "[ . 1 . 2 ]" 1
209 1 48 GLU H 1 48 GLU HA 2.840 . 3.800 2.886 2.863 2.910 . 0 0 "[ . 1 . 2 ]" 1
210 1 49 GLU H 1 49 GLU HB3 3.590 . 3.800 3.472 3.401 3.567 . 0 0 "[ . 1 . 2 ]" 1
211 1 49 GLU HA 1 52 LYS H 3.870 . 5.000 3.447 3.281 3.538 . 0 0 "[ . 1 . 2 ]" 1
212 1 49 GLU HB3 1 50 PHE H 3.740 . 3.800 3.017 2.892 3.274 . 0 0 "[ . 1 . 2 ]" 1
213 1 49 GLU H 1 50 PHE H 3.180 . 3.800 2.777 2.427 2.925 . 0 0 "[ . 1 . 2 ]" 1
214 1 49 GLU HB2 1 50 PHE H 3.890 . 5.000 2.804 2.574 2.930 . 0 0 "[ . 1 . 2 ]" 1
215 1 49 GLU HA 1 50 PHE H 3.320 . 3.800 3.569 3.531 3.584 . 0 0 "[ . 1 . 2 ]" 1
216 1 49 GLU H 1 49 GLU HB2 3.190 . 3.800 2.208 2.142 2.336 . 0 0 "[ . 1 . 2 ]" 1
217 1 50 PHE HZ 1 62 LYS H 3.740 . 3.800 2.557 2.370 2.741 . 0 0 "[ . 1 . 2 ]" 1
218 1 50 PHE HZ 1 62 LYS HA 3.740 . 3.800 3.840 3.810 3.883 0.083 4 0 "[ . 1 . 2 ]" 1
219 1 50 PHE HZ 1 58 ARG HA 3.470 . 3.800 3.081 2.653 3.326 . 0 0 "[ . 1 . 2 ]" 1
220 1 50 PHE HZ 1 61 LEU HB2 3.930 . 5.000 2.423 2.322 2.553 . 0 0 "[ . 1 . 2 ]" 1
221 1 50 PHE HZ 1 58 ARG HB2 3.860 . 5.000 4.977 4.781 5.060 0.060 12 0 "[ . 1 . 2 ]" 1
222 1 50 PHE HA 1 53 LEU HG 3.210 . 3.800 1.939 1.888 2.199 . 0 0 "[ . 1 . 2 ]" 1
223 1 50 PHE H 1 51 GLY H 2.960 . 3.800 3.135 3.015 3.222 . 0 0 "[ . 1 . 2 ]" 1
224 1 50 PHE HA 1 53 LEU HB3 3.750 . 3.800 4.004 3.974 4.032 0.232 10 0 "[ . 1 . 2 ]" 1
225 1 50 PHE H 1 50 PHE HB3 2.870 . 3.800 3.077 2.988 3.169 . 0 0 "[ . 1 . 2 ]" 1
226 1 50 PHE H 1 50 PHE HB2 2.960 . 3.800 2.104 2.090 2.119 . 0 0 "[ . 1 . 2 ]" 1
227 1 50 PHE HB3 1 51 GLY H 3.510 . 3.800 2.100 2.011 2.243 . 0 0 "[ . 1 . 2 ]" 1
228 1 50 PHE HA 1 53 LEU H 4.220 . 5.000 3.424 3.315 3.496 . 0 0 "[ . 1 . 2 ]" 1
229 1 50 PHE HB2 1 51 GLY H 3.380 . 3.800 3.208 3.091 3.337 . 0 0 "[ . 1 . 2 ]" 1
230 1 50 PHE HA 1 51 GLY H 3.670 . 3.800 3.579 3.573 3.590 . 0 0 "[ . 1 . 2 ]" 1
231 1 51 GLY H 1 52 LYS H 3.070 . 3.800 2.775 2.685 2.837 . 0 0 "[ . 1 . 2 ]" 1
232 1 52 LYS H 1 52 LYS HB3 3.050 . 3.800 3.594 3.425 3.682 . 0 0 "[ . 1 . 2 ]" 1
233 1 52 LYS H 1 53 LEU HG 3.800 . 3.800 3.547 3.410 3.707 . 0 0 "[ . 1 . 2 ]" 1
234 1 52 LYS H 1 52 LYS HB2 3.230 . 3.800 2.377 2.232 2.531 . 0 0 "[ . 1 . 2 ]" 1
235 1 52 LYS HA 1 53 LEU H 4.080 . 5.000 3.276 3.224 3.337 . 0 0 "[ . 1 . 2 ]" 1
236 1 52 LYS H 1 53 LEU H 2.820 . 3.800 2.390 2.363 2.526 . 0 0 "[ . 1 . 2 ]" 1
237 1 53 LEU H 1 54 ALA H 3.630 . 3.800 4.117 4.071 4.175 0.375 10 0 "[ . 1 . 2 ]" 1
238 1 53 LEU HB2 1 54 ALA H 3.630 . 3.800 2.546 2.436 2.656 . 0 0 "[ . 1 . 2 ]" 1
239 1 53 LEU HA 1 53 LEU HG 3.880 . 5.000 3.263 3.147 3.306 . 0 0 "[ . 1 . 2 ]" 1
240 1 53 LEU H 1 53 LEU HG 2.890 . 3.800 2.502 2.376 2.592 . 0 0 "[ . 1 . 2 ]" 1
241 1 53 LEU H 1 53 LEU HB2 3.380 . 3.800 2.355 2.306 2.399 . 0 0 "[ . 1 . 2 ]" 1
242 1 53 LEU H 1 53 LEU HB3 3.060 . 3.800 3.537 3.518 3.554 . 0 0 "[ . 1 . 2 ]" 1
243 1 53 LEU HB3 1 54 ALA H 3.250 . 3.800 1.737 1.709 1.774 0.091 21 0 "[ . 1 . 2 ]" 1
244 1 54 ALA MB 1 55 LEU H 2.880 . 3.800 2.246 1.942 2.454 . 0 0 "[ . 1 . 2 ]" 1
245 1 54 ALA MB 1 57 LYS H 2.970 . 3.800 2.200 2.141 2.268 . 0 0 "[ . 1 . 2 ]" 1
246 1 54 ALA H 1 55 LEU H 3.900 . 5.000 4.439 4.335 4.475 . 0 0 "[ . 1 . 2 ]" 1
247 1 54 ALA MB 1 56 TRP H 2.950 . 3.800 2.560 2.512 2.656 . 0 0 "[ . 1 . 2 ]" 1
248 1 54 ALA H 1 54 ALA HA 2.920 . 3.800 2.937 2.933 2.939 . 0 0 "[ . 1 . 2 ]" 1
249 1 54 ALA H 1 54 ALA MB 2.380 . 2.800 2.543 2.536 2.562 . 0 0 "[ . 1 . 2 ]" 1
250 1 54 ALA HA 1 55 LEU H 2.900 . 3.800 2.513 2.377 2.751 . 0 0 "[ . 1 . 2 ]" 1
251 1 54 ALA HA 1 56 TRP H 3.900 . 5.000 4.298 4.209 4.476 . 0 0 "[ . 1 . 2 ]" 1
252 1 54 ALA MB 1 56 TRP HE1 2.650 . 2.800 2.205 2.163 2.257 . 0 0 "[ . 1 . 2 ]" 1
253 1 55 LEU HA 1 59 ASN H 3.770 . 3.800 3.839 3.810 3.873 0.073 21 0 "[ . 1 . 2 ]" 1
254 1 55 LEU HB3 1 56 TRP H 3.050 . 3.800 2.926 2.875 3.028 . 0 0 "[ . 1 . 2 ]" 1
255 1 55 LEU HB2 1 56 TRP H 3.050 . 3.800 3.902 3.890 3.917 0.117 12 0 "[ . 1 . 2 ]" 1
256 1 55 LEU HA 1 56 TRP H 3.680 . 3.800 3.475 3.449 3.504 . 0 0 "[ . 1 . 2 ]" 1
257 1 55 LEU H 1 56 TRP H 3.260 . 3.800 2.543 2.246 2.732 . 0 0 "[ . 1 . 2 ]" 1
258 1 55 LEU HA 1 55 LEU HG 3.520 . 3.800 2.320 2.264 2.350 . 0 0 "[ . 1 . 2 ]" 1
259 1 55 LEU HA 1 58 ARG H 3.650 . 3.800 3.819 3.739 3.869 0.069 15 0 "[ . 1 . 2 ]" 1
260 1 55 LEU H 1 55 LEU HB3 2.780 . 2.800 2.680 2.635 2.720 . 0 0 "[ . 1 . 2 ]" 1
261 1 55 LEU H 1 56 TRP HD1 4.110 . 5.000 3.666 3.322 3.917 . 0 0 "[ . 1 . 2 ]" 1
262 1 55 LEU H 1 55 LEU HB2 3.490 . 3.800 2.365 2.297 2.524 . 0 0 "[ . 1 . 2 ]" 1
263 1 55 LEU HB2 1 55 LEU HG 2.340 . 2.800 2.808 2.710 2.837 0.037 8 0 "[ . 1 . 2 ]" 1
264 1 56 TRP HZ3 1 57 LYS HA 3.620 . 3.800 2.794 2.740 2.886 . 0 0 "[ . 1 . 2 ]" 1
265 1 56 TRP HA 1 59 ASN H 3.390 . 3.800 3.695 3.517 3.790 . 0 0 "[ . 1 . 2 ]" 1
266 1 56 TRP H 1 56 TRP HE1 3.600 . 3.800 3.975 3.951 3.995 0.195 8 0 "[ . 1 . 2 ]" 1
267 1 56 TRP H 1 56 TRP HA 2.710 . 2.800 2.885 2.873 2.894 0.094 15 0 "[ . 1 . 2 ]" 1
268 1 56 TRP H 1 57 LYS H 2.950 . 3.800 2.139 2.099 2.164 . 0 0 "[ . 1 . 2 ]" 1
269 1 56 TRP H 1 56 TRP HE3 3.670 . 3.800 4.258 4.241 4.278 0.478 2 0 "[ . 1 . 2 ]" 1
270 1 56 TRP H 1 56 TRP HD1 2.620 . 2.800 2.545 2.490 2.575 . 0 0 "[ . 1 . 2 ]" 1
271 1 56 TRP HA 1 59 ASN HB2 3.420 . 3.800 2.490 2.280 2.592 . 0 0 "[ . 1 . 2 ]" 1
272 1 56 TRP H 1 58 ARG H 4.080 . 5.000 4.114 3.973 4.206 . 0 0 "[ . 1 . 2 ]" 1
273 1 56 TRP HD1 1 57 LYS H 3.460 . 3.800 4.041 4.027 4.065 0.265 20 0 "[ . 1 . 2 ]" 1
274 1 56 TRP HA 1 56 TRP HE3 3.620 . 3.800 3.990 3.956 4.004 0.204 14 0 "[ . 1 . 2 ]" 1
275 1 56 TRP HA 1 60 GLU H 3.680 . 3.800 3.839 3.804 3.862 0.062 10 0 "[ . 1 . 2 ]" 1
276 1 57 LYS HA 1 61 LEU H 3.970 . 5.000 4.035 3.873 4.237 . 0 0 "[ . 1 . 2 ]" 1
277 1 57 LYS HA 1 60 GLU H 3.160 . 3.800 3.725 3.575 3.809 0.009 11 0 "[ . 1 . 2 ]" 1
278 1 57 LYS HA 1 59 ASN H 4.060 . 5.000 4.348 4.276 4.430 . 0 0 "[ . 1 . 2 ]" 1
279 1 57 LYS HA 1 58 ARG H 3.520 . 3.800 3.571 3.561 3.578 . 0 0 "[ . 1 . 2 ]" 1
280 1 57 LYS H 1 59 ASN H 3.690 . 3.800 3.858 3.832 3.875 0.075 20 0 "[ . 1 . 2 ]" 1
281 1 57 LYS H 1 58 ARG H 2.780 . 2.800 2.731 2.646 2.787 . 0 0 "[ . 1 . 2 ]" 1
282 1 58 ARG HB2 1 58 ARG HE 3.580 . 3.800 3.020 2.213 3.786 . 0 0 "[ . 1 . 2 ]" 1
283 1 58 ARG HA 1 59 ASN H 3.600 . 3.800 3.511 3.496 3.525 . 0 0 "[ . 1 . 2 ]" 1
284 1 58 ARG HB2 1 59 ASN H 3.660 . 3.800 2.489 2.444 2.537 . 0 0 "[ . 1 . 2 ]" 1
285 1 58 ARG H 1 59 ASN H 2.930 . 3.800 2.807 2.753 2.879 . 0 0 "[ . 1 . 2 ]" 1
286 1 58 ARG H 1 58 ARG HB2 3.430 . 3.800 2.539 2.485 2.666 . 0 0 "[ . 1 . 2 ]" 1
287 1 58 ARG H 1 58 ARG HB3 3.160 . 3.800 3.591 3.583 3.601 . 0 0 "[ . 1 . 2 ]" 1
288 1 58 ARG HA 1 61 LEU H 3.770 . 3.800 3.754 3.652 3.816 0.016 12 0 "[ . 1 . 2 ]" 1
289 1 58 ARG HB3 1 59 ASN H 3.340 . 3.800 3.526 3.440 3.614 . 0 0 "[ . 1 . 2 ]" 1
290 1 59 ASN H 1 60 GLU H 2.900 . 3.800 2.989 2.935 3.052 . 0 0 "[ . 1 . 2 ]" 1
291 1 59 ASN H 1 61 LEU H 3.990 . 5.000 4.068 3.949 4.189 . 0 0 "[ . 1 . 2 ]" 1
292 1 59 ASN HA 1 63 LYS H 4.000 . 5.000 4.057 4.005 4.114 . 0 0 "[ . 1 . 2 ]" 1
293 1 59 ASN HA 1 62 LYS H 3.520 . 3.800 3.823 3.807 3.846 0.046 18 0 "[ . 1 . 2 ]" 1
294 1 59 ASN HB2 1 60 GLU H 3.940 . 5.000 2.527 2.451 2.586 . 0 0 "[ . 1 . 2 ]" 1
295 1 59 ASN HB3 1 60 GLU H 3.590 . 3.800 2.545 2.483 2.629 . 0 0 "[ . 1 . 2 ]" 1
296 1 59 ASN H 1 59 ASN HB2 3.130 . 3.800 2.143 2.127 2.160 . 0 0 "[ . 1 . 2 ]" 1
297 1 59 ASN H 1 59 ASN HB3 3.010 . 3.800 3.462 3.448 3.476 . 0 0 "[ . 1 . 2 ]" 1
298 1 59 ASN HA 1 60 GLU H 3.830 . 5.000 3.561 3.554 3.568 . 0 0 "[ . 1 . 2 ]" 1
299 1 60 GLU HA 1 64 LYS H 3.910 . 5.000 3.945 3.864 4.090 . 0 0 "[ . 1 . 2 ]" 1
300 1 60 GLU H 1 62 LYS H 3.820 . 5.000 4.815 4.723 4.876 . 0 0 "[ . 1 . 2 ]" 1
301 1 60 GLU H 1 60 GLU HA 2.830 . 3.800 2.710 2.692 2.738 . 0 0 "[ . 1 . 2 ]" 1
302 1 60 GLU HA 1 61 LEU H 3.490 . 3.800 3.548 3.527 3.564 . 0 0 "[ . 1 . 2 ]" 1
303 1 60 GLU H 1 61 LEU H 2.900 . 3.800 2.944 2.850 2.990 . 0 0 "[ . 1 . 2 ]" 1
304 1 60 GLU H 1 63 LYS HB2 3.760 . 3.800 3.978 3.949 4.023 0.223 20 0 "[ . 1 . 2 ]" 1
305 1 60 GLU HA 1 62 LYS H 3.820 . 5.000 5.047 5.012 5.068 0.068 9 0 "[ . 1 . 2 ]" 1
306 1 60 GLU HA 1 63 LYS H 3.280 . 3.800 3.465 3.437 3.495 . 0 0 "[ . 1 . 2 ]" 1
307 1 61 LEU H 1 61 LEU HB2 3.220 . 3.800 2.672 2.636 2.711 . 0 0 "[ . 1 . 2 ]" 1
308 1 61 LEU HA 1 64 LYS H 3.580 . 3.800 3.214 3.036 3.293 . 0 0 "[ . 1 . 2 ]" 1
309 1 61 LEU H 1 61 LEU HG 2.790 . 2.800 1.951 1.909 2.009 . 0 0 "[ . 1 . 2 ]" 1
310 1 61 LEU HA 1 62 LYS H 3.870 . 5.000 3.536 3.529 3.542 . 0 0 "[ . 1 . 2 ]" 1
311 1 61 LEU HA 1 63 LYS H 3.530 . 3.800 3.873 3.848 3.900 0.100 1 0 "[ . 1 . 2 ]" 1
312 1 61 LEU H 1 61 LEU HB3 3.410 . 3.800 3.594 3.583 3.609 . 0 0 "[ . 1 . 2 ]" 1
313 1 61 LEU HB3 1 62 LYS H 3.340 . 3.800 3.308 3.250 3.354 . 0 0 "[ . 1 . 2 ]" 1
314 1 61 LEU HG 1 62 LYS H 3.570 . 3.800 3.947 3.924 3.969 0.169 17 0 "[ . 1 . 2 ]" 1
315 1 61 LEU H 1 63 LYS H 3.990 . 5.000 3.523 3.475 3.567 . 0 0 "[ . 1 . 2 ]" 1
316 1 61 LEU H 1 62 LYS H 3.000 . 3.800 2.833 2.754 2.879 . 0 0 "[ . 1 . 2 ]" 1
317 1 61 LEU HB3 1 61 LEU HG 2.790 . 2.800 2.943 2.928 2.957 0.157 4 0 "[ . 1 . 2 ]" 1
318 1 61 LEU HA 1 61 LEU HG 3.230 . 3.800 2.909 2.871 2.967 . 0 0 "[ . 1 . 2 ]" 1
319 1 62 LYS H 1 62 LYS HB2 3.500 . 3.800 2.194 2.129 2.225 . 0 0 "[ . 1 . 2 ]" 1
320 1 62 LYS H 1 63 LYS H 3.010 . 3.800 2.595 2.560 2.641 . 0 0 "[ . 1 . 2 ]" 1
321 1 62 LYS H 1 62 LYS HB3 3.260 . 3.800 3.500 3.451 3.520 . 0 0 "[ . 1 . 2 ]" 1
322 1 62 LYS HB3 1 63 LYS H 3.730 . 3.800 3.662 3.520 3.743 . 0 0 "[ . 1 . 2 ]" 1
323 1 62 LYS HA 1 67 LEU HB2 3.690 . 3.800 4.000 3.923 4.043 0.243 12 0 "[ . 1 . 2 ]" 1
324 1 63 LYS H 1 63 LYS HB3 2.970 . 3.800 3.532 3.504 3.561 . 0 0 "[ . 1 . 2 ]" 1
325 1 63 LYS HA 1 68 PHE HB3 3.230 . 3.800 1.876 1.797 1.960 0.003 7 0 "[ . 1 . 2 ]" 1
326 1 63 LYS HA 1 64 LYS H 3.080 . 3.800 3.484 3.447 3.512 . 0 0 "[ . 1 . 2 ]" 1
327 1 63 LYS HA 1 68 PHE HB2 3.940 . 5.000 2.674 2.539 2.815 . 0 0 "[ . 1 . 2 ]" 1
328 1 63 LYS H 1 68 PHE HB3 3.740 . 3.800 3.848 3.832 3.875 0.075 4 0 "[ . 1 . 2 ]" 1
329 1 63 LYS H 1 68 PHE HB2 3.760 . 3.800 3.021 2.943 3.140 . 0 0 "[ . 1 . 2 ]" 1
330 1 63 LYS H 1 63 LYS HB2 2.980 . 3.800 2.256 2.210 2.313 . 0 0 "[ . 1 . 2 ]" 1
331 1 63 LYS HA 1 68 PHE H 3.410 . 3.800 3.870 3.833 3.907 0.107 12 0 "[ . 1 . 2 ]" 1
332 1 63 LYS H 1 65 ALA H 3.860 . 5.000 3.541 3.478 3.715 . 0 0 "[ . 1 . 2 ]" 1
333 1 63 LYS H 1 64 LYS H 2.930 . 3.800 2.355 2.291 2.445 . 0 0 "[ . 1 . 2 ]" 1
334 1 63 LYS HB3 1 64 LYS H 3.270 . 3.800 3.717 3.628 3.801 0.001 17 0 "[ . 1 . 2 ]" 1
335 1 64 LYS HA 1 66 GLU H 4.090 . 5.000 3.428 3.375 3.473 . 0 0 "[ . 1 . 2 ]" 1
336 1 64 LYS H 1 65 ALA MB 3.690 . 3.800 3.663 3.641 3.683 . 0 0 "[ . 1 . 2 ]" 1
337 1 64 LYS HA 1 65 ALA H 3.920 . 5.000 3.408 3.370 3.460 . 0 0 "[ . 1 . 2 ]" 1
338 1 64 LYS H 1 65 ALA H 2.850 . 3.800 2.067 2.033 2.122 . 0 0 "[ . 1 . 2 ]" 1
339 1 64 LYS H 1 66 GLU H 3.610 . 3.800 3.827 3.767 3.875 0.075 7 0 "[ . 1 . 2 ]" 1
340 1 64 LYS H 1 64 LYS HA 2.770 . 2.800 2.912 2.907 2.916 0.116 17 0 "[ . 1 . 2 ]" 1
341 1 64 LYS H 1 64 LYS HB2 2.950 . 3.800 3.165 2.729 3.687 . 0 0 "[ . 1 . 2 ]" 1
342 1 65 ALA HA 1 66 GLU H 3.010 . 3.800 3.252 3.212 3.272 . 0 0 "[ . 1 . 2 ]" 1
343 1 65 ALA H 1 66 GLU H 2.920 . 3.800 2.599 2.521 2.732 . 0 0 "[ . 1 . 2 ]" 1
344 1 65 ALA H 1 67 LEU H 4.060 . 5.000 3.501 3.388 3.678 . 0 0 "[ . 1 . 2 ]" 1
345 1 65 ALA MB 1 66 GLU H 3.510 . 3.800 3.358 3.323 3.402 . 0 0 "[ . 1 . 2 ]" 1
346 1 66 GLU H 1 67 LEU H 3.040 . 3.800 2.571 2.492 2.650 . 0 0 "[ . 1 . 2 ]" 1
347 1 66 GLU HA 1 67 LEU H 3.310 . 3.800 3.099 2.934 3.166 . 0 0 "[ . 1 . 2 ]" 1
348 1 67 LEU H 1 68 PHE H 2.970 . 3.800 3.221 3.045 3.343 . 0 0 "[ . 1 . 2 ]" 1
349 1 67 LEU H 1 67 LEU HB3 3.870 . 5.000 3.771 3.690 3.865 . 0 0 "[ . 1 . 2 ]" 1
350 1 67 LEU H 1 67 LEU HB2 3.560 . 3.800 3.579 3.513 3.671 . 0 0 "[ . 1 . 2 ]" 1
351 1 67 LEU HA 1 68 PHE H 3.970 . 5.000 2.425 2.375 2.501 . 0 0 "[ . 1 . 2 ]" 1
352 1 67 LEU H 1 67 LEU HG 4.020 . 5.000 2.194 1.995 2.510 . 0 0 "[ . 1 . 2 ]" 1
353 1 68 PHE H 1 68 PHE HB3 3.280 . 3.800 2.550 2.433 2.872 . 0 0 "[ . 1 . 2 ]" 1
354 1 68 PHE H 1 68 PHE HB2 3.200 . 3.800 3.527 3.428 3.576 . 0 0 "[ . 1 . 2 ]" 1
355 1 5 ILE HA 1 5 ILE HG13 3.180 . 3.800 3.715 3.286 3.893 0.093 10 0 "[ . 1 . 2 ]" 1
356 1 5 ILE HA 1 5 ILE HG12 3.280 . 3.800 2.921 2.401 3.291 . 0 0 "[ . 1 . 2 ]" 1
357 1 29 ARG HA 1 29 ARG HB3 3.000 . 3.800 2.305 2.254 2.371 . 0 0 "[ . 1 . 2 ]" 1
358 1 31 GLU HA 1 31 GLU HB2 2.500 . 2.800 2.378 2.302 2.564 . 0 0 "[ . 1 . 2 ]" 1
359 1 34 LEU HA 1 34 LEU HG 3.320 . 3.800 2.526 2.391 2.591 . 0 0 "[ . 1 . 2 ]" 1
360 1 45 MET HA 1 45 MET HB2 2.710 . 2.800 2.596 2.244 2.724 . 0 0 "[ . 1 . 2 ]" 1
361 1 45 MET HA 1 49 GLU HB2 3.430 . 3.800 4.062 4.005 4.119 0.319 10 0 "[ . 1 . 2 ]" 1
362 1 45 MET HA 1 45 MET HB3 2.660 . 2.800 2.350 2.236 2.705 . 0 0 "[ . 1 . 2 ]" 1
363 1 50 PHE HZ 1 61 LEU HB3 3.500 . 3.800 3.737 3.597 3.830 0.030 1 0 "[ . 1 . 2 ]" 1
364 1 56 TRP HA 1 59 ASN HB3 3.050 . 3.800 3.774 3.625 3.823 0.023 15 0 "[ . 1 . 2 ]" 1
365 1 59 ASN HA 1 62 LYS HB2 3.390 . 3.800 3.014 2.748 3.146 . 0 0 "[ . 1 . 2 ]" 1
366 1 67 LEU HA 1 67 LEU HG 3.330 . 3.800 3.378 3.304 3.408 . 0 0 "[ . 1 . 2 ]" 1
367 1 2 GLY QA 1 3 LEU HB2 3.850 . 5.000 5.150 5.110 5.197 0.197 20 0 "[ . 1 . 2 ]" 1
368 1 2 GLY QA 1 3 LEU H 3.330 . 3.800 2.149 2.072 2.259 . 0 0 "[ . 1 . 2 ]" 1
369 1 3 LEU MD2 1 33 HIS HE1 3.660 . 3.800 3.677 2.931 3.827 0.027 5 0 "[ . 1 . 2 ]" 1
370 1 3 LEU H 1 3 LEU MD2 4.250 . 5.000 3.198 1.873 3.685 . 0 0 "[ . 1 . 2 ]" 1
371 1 3 LEU HA 1 3 LEU MD1 3.600 . 3.800 3.711 3.107 3.829 0.029 4 0 "[ . 1 . 2 ]" 1
372 1 3 LEU HA 1 3 LEU MD2 3.080 . 3.800 3.787 3.417 3.867 0.067 4 0 "[ . 1 . 2 ]" 1
373 1 3 LEU H 1 3 LEU MD1 4.180 . 5.000 2.778 1.945 3.613 . 0 0 "[ . 1 . 2 ]" 1
374 1 3 LEU MD1 1 4 GLN H 4.270 . 5.000 3.783 3.160 4.670 . 0 0 "[ . 1 . 2 ]" 1
375 1 3 LEU MD1 1 32 ARG QD 3.740 . 3.800 2.934 2.038 3.822 0.022 7 0 "[ . 1 . 2 ]" 1
376 1 3 LEU MD2 1 32 ARG QD 4.480 . 5.000 2.383 1.910 3.199 . 0 0 "[ . 1 . 2 ]" 1
377 1 3 LEU HB3 1 3 LEU MD1 3.440 . 3.800 2.961 2.191 3.137 . 0 0 "[ . 1 . 2 ]" 1
378 1 3 LEU MD2 1 4 GLN H 3.950 . 5.000 4.546 3.700 4.765 . 0 0 "[ . 1 . 2 ]" 1
379 1 3 LEU MD1 1 33 HIS HE1 3.630 . 3.800 3.569 2.761 3.836 0.036 21 0 "[ . 1 . 2 ]" 1
380 1 4 GLN HB2 1 25 VAL MG2 3.840 . 5.000 4.926 4.129 5.107 0.107 9 0 "[ . 1 . 2 ]" 1
381 1 4 GLN QG 1 6 TYR QE . . 3.800 2.232 1.793 3.166 0.007 1 0 "[ . 1 . 2 ]" 1
382 1 4 GLN HB2 1 6 TYR QD 3.620 . 3.800 3.800 3.560 3.868 0.068 6 0 "[ . 1 . 2 ]" 1
383 1 4 GLN H 1 4 GLN QG 3.960 . 5.000 1.921 1.794 2.030 0.006 3 0 "[ . 1 . 2 ]" 1
384 1 4 GLN QB 1 6 TYR QE 3.680 . 3.800 2.441 2.128 2.771 . 0 0 "[ . 1 . 2 ]" 1
385 1 4 GLN HB3 1 6 TYR QE 3.270 . 3.800 3.750 3.548 3.848 0.048 18 0 "[ . 1 . 2 ]" 1
386 1 5 ILE HB 1 5 ILE MD 3.480 . 3.800 3.037 2.544 3.227 . 0 0 "[ . 1 . 2 ]" 1
387 1 5 ILE MD 1 5 ILE MG 2.870 . 3.800 1.915 1.820 2.035 . 0 0 "[ . 1 . 2 ]" 1
388 1 5 ILE MD 1 35 SER H 4.120 . 5.000 4.232 4.051 4.533 . 0 0 "[ . 1 . 2 ]" 1
389 1 5 ILE MD 1 34 LEU H 4.240 . 5.000 4.306 3.888 4.602 . 0 0 "[ . 1 . 2 ]" 1
390 1 5 ILE MG 1 35 SER QB 3.550 . 3.800 1.916 1.788 2.497 0.012 16 0 "[ . 1 . 2 ]" 1
391 1 5 ILE MG 1 35 SER HA 3.120 . 3.800 1.933 1.902 1.955 . 0 0 "[ . 1 . 2 ]" 1
392 1 5 ILE MD 1 35 SER HA 3.180 . 3.800 2.758 2.204 3.164 . 0 0 "[ . 1 . 2 ]" 1
393 1 5 ILE MG 1 36 ALA H 3.710 . 3.800 3.857 3.839 3.876 0.076 21 0 "[ . 1 . 2 ]" 1
394 1 5 ILE MD 1 36 ALA H 4.080 . 5.000 4.435 3.589 4.977 . 0 0 "[ . 1 . 2 ]" 1
395 1 5 ILE MG 1 6 TYR H 3.250 . 3.800 2.640 2.194 3.011 . 0 0 "[ . 1 . 2 ]" 1
396 1 5 ILE MD 1 6 TYR H 3.880 . 5.000 4.319 3.896 5.026 0.026 12 0 "[ . 1 . 2 ]" 1
397 1 5 ILE MG 1 35 SER H 3.280 . 3.800 2.455 2.373 2.566 . 0 0 "[ . 1 . 2 ]" 1
398 1 5 ILE H 1 5 ILE MD 3.910 . 5.000 3.648 3.034 4.332 . 0 0 "[ . 1 . 2 ]" 1
399 1 5 ILE H 1 5 ILE MG 3.520 . 3.800 3.849 3.808 3.902 0.102 16 0 "[ . 1 . 2 ]" 1
400 1 5 ILE H 1 5 ILE QG 3.520 . 3.800 2.318 1.960 2.863 . 0 0 "[ . 1 . 2 ]" 1
401 1 6 TYR QE 1 22 PRO QB 4.140 . 5.000 2.923 2.579 3.304 . 0 0 "[ . 1 . 2 ]" 1
402 1 6 TYR H 1 6 TYR QD 3.560 . 3.800 2.668 2.061 3.254 . 0 0 "[ . 1 . 2 ]" 1
403 1 6 TYR HB2 1 7 PRO QD 3.910 . 5.000 2.862 2.287 3.329 . 0 0 "[ . 1 . 2 ]" 1
404 1 6 TYR QE 1 25 VAL MG2 3.090 . 3.800 2.575 1.927 3.190 . 0 0 "[ . 1 . 2 ]" 1
405 1 6 TYR QE 1 25 VAL MG1 3.360 . 3.800 3.335 1.945 3.871 0.071 16 0 "[ . 1 . 2 ]" 1
406 1 6 TYR HB3 1 6 TYR QD 3.180 . 3.800 2.397 2.273 2.573 . 0 0 "[ . 1 . 2 ]" 1
407 1 6 TYR QE 1 11 LEU MD1 4.560 . 5.000 4.544 3.229 5.028 0.028 15 0 "[ . 1 . 2 ]" 1
408 1 6 TYR HB3 1 11 LEU MD1 3.960 . 5.000 3.909 3.338 4.860 . 0 0 "[ . 1 . 2 ]" 1
409 1 6 TYR HB2 1 6 TYR QD 3.090 . 3.800 2.418 2.287 2.602 . 0 0 "[ . 1 . 2 ]" 1
410 1 6 TYR QD 1 33 HIS HB3 3.830 . 5.000 3.213 2.443 3.666 . 0 0 "[ . 1 . 2 ]" 1
411 1 6 TYR HB3 1 6 TYR QE 4.440 . 5.000 4.413 4.374 4.461 . 0 0 "[ . 1 . 2 ]" 1
412 1 6 TYR QD 1 7 PRO QD 4.050 . 5.000 3.271 2.745 3.745 . 0 0 "[ . 1 . 2 ]" 1
413 1 6 TYR HA 1 6 TYR QD 3.330 . 3.800 3.047 2.552 3.388 . 0 0 "[ . 1 . 2 ]" 1
414 1 6 TYR QE 1 11 LEU MD2 4.020 . 5.000 3.774 2.337 4.652 . 0 0 "[ . 1 . 2 ]" 1
415 1 6 TYR HB2 1 11 LEU MD2 3.750 . 3.800 2.485 1.879 3.519 . 0 0 "[ . 1 . 2 ]" 1
416 1 6 TYR QB 1 11 LEU MD2 3.580 . 3.800 2.452 1.866 3.431 . 0 0 "[ . 1 . 2 ]" 1
417 1 6 TYR HB2 1 11 LEU HG 4.180 . 5.000 2.661 2.160 4.204 . 0 0 "[ . 1 . 2 ]" 1
418 1 6 TYR H 1 11 LEU MD1 4.100 . 5.000 2.180 1.860 2.845 . 0 0 "[ . 1 . 2 ]" 1
419 1 6 TYR QD 1 25 VAL MG1 3.610 . 3.800 3.083 2.322 3.819 0.019 21 0 "[ . 1 . 2 ]" 1
420 1 6 TYR QD 1 25 VAL MG2 3.480 . 3.800 2.837 2.283 3.665 . 0 0 "[ . 1 . 2 ]" 1
421 1 6 TYR HB2 1 11 LEU MD1 4.260 . 5.000 2.513 1.947 3.488 . 0 0 "[ . 1 . 2 ]" 1
422 1 6 TYR QD 1 11 LEU MD2 3.170 . 3.800 2.292 1.810 2.803 . 0 0 "[ . 1 . 2 ]" 1
423 1 6 TYR QD 1 11 LEU MD1 3.480 . 3.800 2.715 1.945 3.188 . 0 0 "[ . 1 . 2 ]" 1
424 1 6 TYR QD 1 33 HIS HB2 4.030 . 5.000 4.734 3.842 5.038 0.038 6 0 "[ . 1 . 2 ]" 1
425 1 7 PRO QB 1 8 TYR H . . 3.800 2.612 2.544 2.714 . 0 0 "[ . 1 . 2 ]" 1
426 1 7 PRO QG 1 10 MET H 4.040 . 5.000 4.213 3.335 4.689 . 0 0 "[ . 1 . 2 ]" 1
427 1 7 PRO QB 1 10 MET QG 3.400 . 3.800 3.134 2.155 3.845 0.045 17 0 "[ . 1 . 2 ]" 1
428 1 7 PRO QB 1 9 GLU H 4.410 . 5.000 3.567 3.207 3.719 . 0 0 "[ . 1 . 2 ]" 1
429 1 7 PRO QB 1 10 MET H . . 3.800 2.605 2.393 2.770 . 0 0 "[ . 1 . 2 ]" 1
430 1 7 PRO QG 1 10 MET QG 4.060 . 5.000 3.119 2.269 4.299 . 0 0 "[ . 1 . 2 ]" 1
431 1 8 TYR HB2 1 42 VAL MG2 4.090 . 5.000 2.777 2.519 3.079 . 0 0 "[ . 1 . 2 ]" 1
432 1 8 TYR QD 1 9 GLU H 3.310 . 3.800 2.415 2.059 2.992 . 0 0 "[ . 1 . 2 ]" 1
433 1 8 TYR QD 1 34 LEU MD2 2.940 . 3.800 1.823 1.795 1.858 0.005 1 0 "[ . 1 . 2 ]" 1
434 1 8 TYR QD 1 67 LEU MD1 3.040 . 3.800 3.707 3.472 4.027 0.227 3 0 "[ . 1 . 2 ]" 1
435 1 8 TYR QD 1 34 LEU QD 3.110 . 3.800 1.810 1.783 1.840 0.017 1 0 "[ . 1 . 2 ]" 1
436 1 8 TYR QD 1 12 VAL MG1 4.300 . 5.000 4.904 4.675 5.038 0.038 9 0 "[ . 1 . 2 ]" 1
437 1 8 TYR QD 1 12 VAL MG2 3.470 . 3.800 3.377 3.003 3.673 . 0 0 "[ . 1 . 2 ]" 1
438 1 8 TYR QE 1 12 VAL MG2 3.210 . 3.800 3.009 2.484 3.374 . 0 0 "[ . 1 . 2 ]" 1
439 1 8 TYR QD 1 67 LEU MD2 3.570 . 3.800 2.394 2.224 2.563 . 0 0 "[ . 1 . 2 ]" 1
440 1 8 TYR QE 1 67 LEU HB2 4.070 . 5.000 5.103 5.039 5.159 0.159 6 0 "[ . 1 . 2 ]" 1
441 1 8 TYR QE 1 12 VAL MG1 3.510 . 3.800 3.823 3.647 3.874 0.074 14 0 "[ . 1 . 2 ]" 1
442 1 8 TYR QE 1 67 LEU MD2 3.610 . 3.800 1.827 1.765 1.962 0.035 6 0 "[ . 1 . 2 ]" 1
443 1 8 TYR QE 1 67 LEU MD1 2.910 . 3.800 2.863 2.681 3.052 . 0 0 "[ . 1 . 2 ]" 1
444 1 8 TYR QE 1 34 LEU MD1 3.630 . 3.800 3.910 3.868 3.934 0.134 6 0 "[ . 1 . 2 ]" 1
445 1 8 TYR QE 1 65 ALA MB 3.050 . 3.800 2.769 2.360 3.237 . 0 0 "[ . 1 . 2 ]" 1
446 1 8 TYR QD 1 11 LEU MD1 4.400 . 5.000 4.664 3.796 5.007 0.007 16 0 "[ . 1 . 2 ]" 1
447 1 8 TYR QD 1 67 LEU HG 3.830 . 5.000 4.774 4.539 4.997 . 0 0 "[ . 1 . 2 ]" 1
448 1 8 TYR QE 1 67 LEU HG 3.110 . 3.800 2.848 2.611 3.045 . 0 0 "[ . 1 . 2 ]" 1
449 1 8 TYR HB3 1 8 TYR QD 3.160 . 3.800 2.315 2.237 2.420 . 0 0 "[ . 1 . 2 ]" 1
450 1 8 TYR HB2 1 8 TYR QD 3.100 . 3.800 2.473 2.352 2.653 . 0 0 "[ . 1 . 2 ]" 1
451 1 8 TYR QD 1 9 GLU HA 3.880 . 5.000 3.249 2.606 3.914 . 0 0 "[ . 1 . 2 ]" 1
452 1 8 TYR H 1 8 TYR QD 3.370 . 3.800 3.935 3.825 4.015 0.215 3 0 "[ . 1 . 2 ]" 1
453 1 8 TYR HB2 1 8 TYR QE 4.020 . 5.000 4.432 4.403 4.472 . 0 0 "[ . 1 . 2 ]" 1
454 1 8 TYR QE 1 67 LEU H 4.480 . 5.000 4.744 4.499 5.042 0.042 20 0 "[ . 1 . 2 ]" 1
455 1 8 TYR HA 1 8 TYR QD 3.000 . 3.800 2.901 2.543 3.133 . 0 0 "[ . 1 . 2 ]" 1
456 1 8 TYR QD 1 42 VAL MG1 3.780 . 3.800 3.329 3.127 3.651 . 0 0 "[ . 1 . 2 ]" 1
457 1 8 TYR QD 1 9 GLU QG 4.300 . 5.000 2.957 2.001 4.644 . 0 0 "[ . 1 . 2 ]" 1
458 1 8 TYR QE 1 42 VAL MG1 3.280 . 3.800 2.101 1.903 2.448 . 0 0 "[ . 1 . 2 ]" 1
459 1 8 TYR HB2 1 34 LEU MD2 4.130 . 5.000 2.232 2.067 2.461 . 0 0 "[ . 1 . 2 ]" 1
460 1 8 TYR QD 1 42 VAL MG2 3.210 . 3.800 2.232 2.000 2.613 . 0 0 "[ . 1 . 2 ]" 1
461 1 8 TYR HA 1 11 LEU MD1 3.770 . 3.800 2.981 2.365 3.391 . 0 0 "[ . 1 . 2 ]" 1
462 1 8 TYR HB3 1 34 LEU MD2 3.720 . 3.800 3.584 3.388 3.802 0.002 5 0 "[ . 1 . 2 ]" 1
463 1 8 TYR QE 1 42 VAL MG2 3.360 . 3.800 2.815 2.591 3.092 . 0 0 "[ . 1 . 2 ]" 1
464 1 9 GLU HA 1 9 GLU QG 3.440 . 3.800 2.395 2.034 3.401 . 0 0 "[ . 1 . 2 ]" 1
465 1 9 GLU HA 1 12 VAL MG1 3.770 . 3.800 3.995 3.935 4.075 0.275 20 0 "[ . 1 . 2 ]" 1
466 1 9 GLU H 1 9 GLU QB 3.540 . 3.800 2.311 2.063 2.626 . 0 0 "[ . 1 . 2 ]" 1
467 1 9 GLU H 1 9 GLU QG 3.720 . 3.800 2.751 2.000 3.781 . 0 0 "[ . 1 . 2 ]" 1
468 1 9 GLU HA 1 12 VAL MG2 3.210 . 3.800 1.724 1.676 1.769 0.124 9 0 "[ . 1 . 2 ]" 1
469 1 10 MET H 1 10 MET QG 4.260 . 5.000 3.004 2.029 4.031 . 0 0 "[ . 1 . 2 ]" 1
470 1 10 MET QB 1 11 LEU H 4.610 . 5.000 2.886 2.645 3.104 . 0 0 "[ . 1 . 2 ]" 1
471 1 10 MET H 1 10 MET QB 3.660 . 3.800 2.236 2.054 2.590 . 0 0 "[ . 1 . 2 ]" 1
472 1 10 MET HA 1 10 MET QG 3.520 . 3.800 2.294 2.026 2.625 . 0 0 "[ . 1 . 2 ]" 1
473 1 10 MET HA 1 22 PRO QD 4.400 . 5.000 4.503 3.275 5.027 0.027 10 0 "[ . 1 . 2 ]" 1
474 1 11 LEU MD1 1 33 HIS H 3.950 . 5.000 3.958 3.313 4.497 . 0 0 "[ . 1 . 2 ]" 1
475 1 11 LEU HA 1 11 LEU MD2 3.050 . 3.800 2.066 1.821 2.254 . 0 0 "[ . 1 . 2 ]" 1
476 1 11 LEU MD2 1 67 LEU MD2 3.960 . 5.000 5.085 5.029 5.206 0.206 16 0 "[ . 1 . 2 ]" 1
477 1 11 LEU MD1 1 33 HIS HB3 3.480 . 3.800 2.312 1.918 2.668 . 0 0 "[ . 1 . 2 ]" 1
478 1 11 LEU H 1 12 VAL MG2 3.990 . 5.000 3.242 2.988 3.480 . 0 0 "[ . 1 . 2 ]" 1
479 1 11 LEU MD1 1 67 LEU MD2 3.860 . 5.000 4.553 4.100 4.811 . 0 0 "[ . 1 . 2 ]" 1
480 1 11 LEU MD2 1 22 PRO QD 4.240 . 5.000 1.970 1.811 2.856 . 0 0 "[ . 1 . 2 ]" 1
481 1 11 LEU H 1 11 LEU MD2 3.610 . 3.800 3.608 2.332 3.888 0.088 7 0 "[ . 1 . 2 ]" 1
482 1 11 LEU HB2 1 22 PRO QD 4.760 . 5.000 5.107 5.056 5.147 0.147 6 0 "[ . 1 . 2 ]" 1
483 1 11 LEU HA 1 21 LEU MD2 3.730 . 3.800 3.787 3.528 4.004 0.204 12 0 "[ . 1 . 2 ]" 1
484 1 11 LEU MD2 1 33 HIS HB3 3.970 . 5.000 2.738 1.933 3.586 . 0 0 "[ . 1 . 2 ]" 1
485 1 11 LEU MD2 1 33 HIS HB2 4.200 . 5.000 3.291 2.410 4.158 . 0 0 "[ . 1 . 2 ]" 1
486 1 11 LEU HB3 1 11 LEU MD1 3.360 . 3.800 2.403 2.211 2.533 . 0 0 "[ . 1 . 2 ]" 1
487 1 11 LEU MD2 1 22 PRO QG . . 3.800 2.375 1.799 3.628 0.001 1 0 "[ . 1 . 2 ]" 1
488 1 11 LEU HB2 1 11 LEU MD2 3.430 . 3.800 3.169 3.160 3.179 . 0 0 "[ . 1 . 2 ]" 1
489 1 11 LEU MD1 1 30 LEU MD2 3.650 . 3.800 3.297 2.830 3.823 0.023 21 0 "[ . 1 . 2 ]" 1
490 1 11 LEU MD1 1 34 LEU MD1 3.910 . 5.000 3.676 3.236 4.139 . 0 0 "[ . 1 . 2 ]" 1
491 1 11 LEU MD2 1 30 LEU MD2 3.490 . 3.800 2.415 1.776 3.452 0.024 2 0 "[ . 1 . 2 ]" 1
492 1 11 LEU H 1 11 LEU MD1 3.720 . 3.800 3.785 3.541 3.878 0.078 21 0 "[ . 1 . 2 ]" 1
493 1 11 LEU MD1 1 34 LEU H 4.130 . 5.000 3.590 3.080 4.062 . 0 0 "[ . 1 . 2 ]" 1
494 1 11 LEU MD2 1 25 VAL MG2 3.470 . 3.800 2.289 1.835 2.588 . 0 0 "[ . 1 . 2 ]" 1
495 1 11 LEU MD2 1 25 VAL MG1 3.160 . 3.800 1.799 1.663 2.414 0.137 15 0 "[ . 1 . 2 ]" 1
496 1 11 LEU HB2 1 67 LEU MD2 3.870 . 5.000 3.831 3.112 4.464 . 0 0 "[ . 1 . 2 ]" 1
497 1 11 LEU HA 1 11 LEU MD1 4.200 . 5.000 3.839 3.754 3.988 . 0 0 "[ . 1 . 2 ]" 1
498 1 11 LEU MD2 1 33 HIS HD1 4.050 . 5.000 4.054 3.109 5.006 0.006 9 0 "[ . 1 . 2 ]" 1
499 1 11 LEU MD1 1 33 HIS HB2 4.130 . 5.000 2.699 1.947 3.165 . 0 0 "[ . 1 . 2 ]" 1
500 1 12 VAL HB 1 15 ASN QD 4.780 . 5.000 4.927 3.994 5.069 0.069 17 0 "[ . 1 . 2 ]" 1
501 1 12 VAL MG2 1 66 GLU QB 4.260 . 5.000 3.152 2.842 3.618 . 0 0 "[ . 1 . 2 ]" 1
502 1 12 VAL MG1 1 13 VAL HA 4.080 . 5.000 4.062 3.770 4.281 . 0 0 "[ . 1 . 2 ]" 1
503 1 12 VAL HA 1 12 VAL MG2 3.140 . 3.800 2.490 2.375 2.574 . 0 0 "[ . 1 . 2 ]" 1
504 1 12 VAL HA 1 13 VAL MG2 4.730 . 5.000 3.274 3.065 3.487 . 0 0 "[ . 1 . 2 ]" 1
505 1 12 VAL H 1 12 VAL MG2 3.990 . 5.000 1.860 1.788 1.966 0.012 11 0 "[ . 1 . 2 ]" 1
506 1 12 VAL MG1 1 66 GLU HA 4.610 . 5.000 3.835 3.616 4.612 . 0 0 "[ . 1 . 2 ]" 1
507 1 12 VAL MG1 1 14 THR H 3.940 . 5.000 2.929 2.803 3.052 . 0 0 "[ . 1 . 2 ]" 1
508 1 12 VAL MG1 1 66 GLU QB . . 3.800 2.039 1.784 2.857 0.016 5 0 "[ . 1 . 2 ]" 1
509 1 12 VAL MG2 1 67 LEU MD2 3.260 . 3.800 2.725 2.272 3.281 . 0 0 "[ . 1 . 2 ]" 1
510 1 12 VAL MG1 1 14 THR HB 4.260 . 5.000 4.617 4.351 5.078 0.078 9 0 "[ . 1 . 2 ]" 1
511 1 12 VAL HA 1 67 LEU MD2 3.510 . 3.800 2.104 1.880 2.654 . 0 0 "[ . 1 . 2 ]" 1
512 1 12 VAL HA 1 12 VAL MG1 3.150 . 3.800 2.228 2.173 2.365 . 0 0 "[ . 1 . 2 ]" 1
513 1 12 VAL MG1 1 13 VAL H 4.140 . 5.000 1.964 1.857 2.265 . 0 0 "[ . 1 . 2 ]" 1
514 1 12 VAL MG1 1 15 ASN QD 4.400 . 5.000 2.477 1.862 2.655 . 0 0 "[ . 1 . 2 ]" 1
515 1 12 VAL MG2 1 13 VAL H 4.160 . 5.000 3.923 3.782 4.038 . 0 0 "[ . 1 . 2 ]" 1
516 1 12 VAL H 1 12 VAL MG1 4.010 . 5.000 3.755 3.719 3.769 . 0 0 "[ . 1 . 2 ]" 1
517 1 13 VAL H 1 13 VAL MG2 3.820 . 5.000 2.242 2.021 2.469 . 0 0 "[ . 1 . 2 ]" 1
518 1 13 VAL HA 1 13 VAL MG1 3.390 . 3.800 2.298 2.171 2.449 . 0 0 "[ . 1 . 2 ]" 1
519 1 13 VAL H 1 13 VAL MG1 3.890 . 5.000 3.799 3.757 3.835 . 0 0 "[ . 1 . 2 ]" 1
520 1 13 VAL MG2 1 68 PHE H 4.130 . 5.000 2.980 2.663 3.286 . 0 0 "[ . 1 . 2 ]" 1
521 1 13 VAL MG2 1 67 LEU HG 3.560 . 3.800 4.005 3.932 4.048 0.248 17 0 "[ . 1 . 2 ]" 1
522 1 13 VAL HB 1 67 LEU MD2 3.900 . 5.000 5.004 4.752 5.079 0.079 18 0 "[ . 1 . 2 ]" 1
523 1 13 VAL MG2 1 67 LEU MD2 3.900 . 5.000 3.208 3.082 3.391 . 0 0 "[ . 1 . 2 ]" 1
524 1 13 VAL MG2 1 14 THR H 3.930 . 5.000 3.616 3.526 3.739 . 0 0 "[ . 1 . 2 ]" 1
525 1 13 VAL HA 1 13 VAL MG2 3.540 . 3.800 2.434 2.347 2.539 . 0 0 "[ . 1 . 2 ]" 1
526 1 13 VAL MG1 1 14 THR H 3.880 . 5.000 2.940 2.802 3.147 . 0 0 "[ . 1 . 2 ]" 1
527 1 13 VAL MG1 1 14 THR HB 3.540 . 3.800 3.721 2.924 3.858 0.058 17 0 "[ . 1 . 2 ]" 1
528 1 14 THR H 1 14 THR MG 3.280 . 3.800 3.570 2.128 3.823 0.023 1 0 "[ . 1 . 2 ]" 1
529 1 14 THR HA 1 14 THR MG 2.900 . 3.800 2.577 2.374 3.223 . 0 0 "[ . 1 . 2 ]" 1
530 1 15 ASN HB3 1 16 LYS QE 3.460 . 3.800 2.292 1.820 3.478 . 0 0 "[ . 1 . 2 ]" 1
531 1 15 ASN HD21 1 68 PHE H 3.960 . 5.000 5.058 4.979 5.116 0.116 16 0 "[ . 1 . 2 ]" 1
532 1 15 ASN HD22 1 68 PHE H 4.050 . 5.000 4.959 4.567 5.054 0.054 20 0 "[ . 1 . 2 ]" 1
533 1 15 ASN QD 1 16 LYS QE 3.640 . 3.800 3.846 3.815 3.868 0.068 7 0 "[ . 1 . 2 ]" 1
534 1 15 ASN HB2 1 16 LYS QD 3.790 . 3.800 3.567 2.775 3.847 0.047 6 0 "[ . 1 . 2 ]" 1
535 1 16 LYS H 1 16 LYS QE 4.090 . 5.000 2.865 2.305 3.474 . 0 0 "[ . 1 . 2 ]" 1
536 1 16 LYS H 1 16 LYS QG 3.950 . 5.000 3.802 2.492 4.058 . 0 0 "[ . 1 . 2 ]" 1
537 1 16 LYS HA 1 16 LYS QG . . 3.800 2.398 2.038 3.179 . 0 0 "[ . 1 . 2 ]" 1
538 1 17 GLY QA 1 18 ARG H 3.970 . 5.000 2.165 2.115 2.245 . 0 0 "[ . 1 . 2 ]" 1
539 1 17 GLY QA 1 18 ARG HB3 4.020 . 5.000 4.499 3.666 5.099 0.099 13 0 "[ . 1 . 2 ]" 1
540 1 18 ARG H 1 20 LYS QD 4.540 . 5.000 2.606 1.778 4.510 0.022 8 0 "[ . 1 . 2 ]" 1
541 1 18 ARG HA 1 18 ARG QG 3.270 . 3.800 3.052 2.247 3.556 . 0 0 "[ . 1 . 2 ]" 1
542 1 18 ARG HB3 1 18 ARG QD 3.600 . 3.800 2.659 1.899 3.387 . 0 0 "[ . 1 . 2 ]" 1
543 1 18 ARG HB2 1 18 ARG QD 3.390 . 3.800 2.865 2.047 3.598 . 0 0 "[ . 1 . 2 ]" 1
544 1 18 ARG QG 1 19 THR MG 4.370 . 5.000 4.309 2.527 5.154 0.154 13 0 "[ . 1 . 2 ]" 1
545 1 18 ARG QD 1 20 LYS HB3 3.880 . 5.000 5.071 4.915 5.149 0.149 7 0 "[ . 1 . 2 ]" 1
546 1 18 ARG H 1 18 ARG QG 3.940 . 5.000 3.037 1.975 4.190 . 0 0 "[ . 1 . 2 ]" 1
547 1 19 THR HA 1 20 LYS QD 3.620 . 3.800 3.971 3.899 4.051 0.251 6 0 "[ . 1 . 2 ]" 1
548 1 19 THR MG 1 21 LEU H 4.070 . 5.000 3.338 1.923 4.330 . 0 0 "[ . 1 . 2 ]" 1
549 1 19 THR MG 1 20 LYS HA 3.270 . 3.800 3.430 3.007 3.845 0.045 1 0 "[ . 1 . 2 ]" 1
550 1 19 THR MG 1 21 LEU MD1 3.990 . 5.000 4.924 4.343 5.178 0.178 1 0 "[ . 1 . 2 ]" 1
551 1 19 THR MG 1 21 LEU MD2 3.420 . 3.800 3.375 2.072 3.885 0.085 18 0 "[ . 1 . 2 ]" 1
552 1 20 LYS H 1 20 LYS QG 3.520 . 3.800 3.101 2.350 3.467 . 0 0 "[ . 1 . 2 ]" 1
553 1 20 LYS HA 1 20 LYS QG 3.660 . 3.800 2.459 2.258 2.761 . 0 0 "[ . 1 . 2 ]" 1
554 1 21 LEU H 1 21 LEU MD1 3.580 . 3.800 3.210 1.979 3.737 . 0 0 "[ . 1 . 2 ]" 1
555 1 21 LEU HA 1 21 LEU MD2 2.980 . 3.800 2.959 2.334 3.741 . 0 0 "[ . 1 . 2 ]" 1
556 1 21 LEU HB3 1 22 PRO QD 4.480 . 5.000 2.402 1.784 2.868 0.016 19 0 "[ . 1 . 2 ]" 1
557 1 21 LEU HA 1 21 LEU MD1 4.300 . 5.000 2.394 1.763 3.875 0.037 17 0 "[ . 1 . 2 ]" 1
558 1 21 LEU MD2 1 22 PRO QD 3.450 . 3.800 3.818 3.676 3.966 0.166 12 0 "[ . 1 . 2 ]" 1
559 1 21 LEU HB3 1 25 VAL MG1 4.160 . 5.000 3.277 2.595 3.544 . 0 0 "[ . 1 . 2 ]" 1
560 1 21 LEU HB2 1 25 VAL MG2 4.080 . 5.000 2.916 1.748 4.456 0.052 21 0 "[ . 1 . 2 ]" 1
561 1 21 LEU HB2 1 22 PRO QD . . 3.800 3.334 2.348 3.967 0.167 10 0 "[ . 1 . 2 ]" 1
562 1 21 LEU HB2 1 25 VAL MG1 3.920 . 5.000 3.901 2.126 4.695 . 0 0 "[ . 1 . 2 ]" 1
563 1 21 LEU MD2 1 25 VAL MG2 3.720 . 3.800 3.925 3.234 4.130 0.330 13 0 "[ . 1 . 2 ]" 1
564 1 21 LEU MD2 1 25 VAL MG1 3.410 . 3.800 3.588 2.350 4.004 0.204 13 0 "[ . 1 . 2 ]" 1
565 1 21 LEU MD1 1 27 ARG HD2 4.050 . 5.000 4.797 4.243 5.039 0.039 12 0 "[ . 1 . 2 ]" 1
566 1 21 LEU MD1 1 27 ARG HD3 4.370 . 5.000 4.863 4.006 5.055 0.055 14 0 "[ . 1 . 2 ]" 1
567 1 21 LEU HB3 1 21 LEU MD1 3.390 . 3.800 2.500 1.984 3.169 . 0 0 "[ . 1 . 2 ]" 1
568 1 21 LEU H 1 21 LEU MD2 3.690 . 3.800 2.141 1.724 3.482 0.076 19 0 "[ . 1 . 2 ]" 1
569 1 21 LEU HA 1 25 VAL MG2 4.030 . 5.000 3.573 2.914 4.075 . 0 0 "[ . 1 . 2 ]" 1
570 1 21 LEU HA 1 22 PRO QD 2.990 . 3.800 2.020 1.844 2.355 . 0 0 "[ . 1 . 2 ]" 1
571 1 21 LEU HB3 1 25 VAL MG2 4.490 . 5.000 2.301 1.708 3.066 0.092 1 0 "[ . 1 . 2 ]" 1
572 1 22 PRO QD 1 25 VAL MG2 3.790 . 3.800 1.942 1.762 2.817 0.038 1 0 "[ . 1 . 2 ]" 1
573 1 22 PRO QD 1 25 VAL MG1 4.270 . 5.000 3.132 2.560 3.769 . 0 0 "[ . 1 . 2 ]" 1
574 1 22 PRO QG 1 25 VAL MG1 3.940 . 5.000 3.858 3.029 4.901 . 0 0 "[ . 1 . 2 ]" 1
575 1 22 PRO QG 1 25 VAL MG2 3.860 . 5.000 2.563 1.805 3.514 . 0 0 "[ . 1 . 2 ]" 1
576 1 22 PRO QB 1 23 PRO QD 3.700 . 3.800 1.928 1.797 2.494 0.003 11 0 "[ . 1 . 2 ]" 1
577 1 22 PRO QB 1 25 VAL MG1 4.820 . 5.000 4.391 3.603 5.002 0.002 7 0 "[ . 1 . 2 ]" 1
578 1 22 PRO QB 1 25 VAL MG2 4.100 . 5.000 2.528 1.882 3.195 . 0 0 "[ . 1 . 2 ]" 1
579 1 23 PRO QB 1 24 GLY H 4.060 . 5.000 3.637 3.525 3.657 . 0 0 "[ . 1 . 2 ]" 1
580 1 25 VAL MG2 1 30 LEU MD2 3.310 . 3.800 3.695 3.537 3.898 0.098 3 0 "[ . 1 . 2 ]" 1
581 1 25 VAL HA 1 26 ASP H 3.460 . 3.800 2.107 2.067 2.147 . 0 0 "[ . 1 . 2 ]" 1
582 1 25 VAL MG1 1 33 HIS HE1 4.140 . 5.000 3.975 3.367 4.642 . 0 0 "[ . 1 . 2 ]" 1
583 1 25 VAL MG2 1 33 HIS HE1 3.890 . 5.000 4.524 3.835 5.057 0.057 16 0 "[ . 1 . 2 ]" 1
584 1 25 VAL MG2 1 26 ASP H 3.970 . 5.000 4.323 4.138 4.416 . 0 0 "[ . 1 . 2 ]" 1
585 1 25 VAL H 1 25 VAL MG1 3.310 . 3.800 3.893 3.737 3.955 0.155 14 0 "[ . 1 . 2 ]" 1
586 1 25 VAL H 1 25 VAL MG2 3.030 . 3.800 2.301 1.973 2.682 . 0 0 "[ . 1 . 2 ]" 1
587 1 25 VAL MG1 1 33 HIS HD2 3.980 . 5.000 2.313 1.938 2.532 . 0 0 "[ . 1 . 2 ]" 1
588 1 25 VAL MG2 1 33 HIS HD2 4.310 . 5.000 4.763 4.019 5.038 0.038 5 0 "[ . 1 . 2 ]" 1
589 1 25 VAL HB 1 33 HIS HD2 4.440 . 5.000 4.852 4.413 5.027 0.027 17 0 "[ . 1 . 2 ]" 1
590 1 25 VAL HA 1 25 VAL MG1 3.020 . 3.800 2.016 1.931 2.125 . 0 0 "[ . 1 . 2 ]" 1
591 1 25 VAL HA 1 25 VAL MG2 3.100 . 3.800 2.833 2.545 2.994 . 0 0 "[ . 1 . 2 ]" 1
592 1 25 VAL MG1 1 26 ASP H 3.530 . 3.800 2.622 2.259 3.221 . 0 0 "[ . 1 . 2 ]" 1
593 1 25 VAL MG1 1 30 LEU MD2 2.840 . 3.800 1.806 1.656 2.230 0.144 21 0 "[ . 1 . 2 ]" 1
594 1 26 ASP H 1 27 ARG HA 3.910 . 5.000 4.953 4.753 5.046 0.046 2 0 "[ . 1 . 2 ]" 1
595 1 26 ASP H 1 33 HIS HD1 4.230 . 5.000 2.979 2.410 3.522 . 0 0 "[ . 1 . 2 ]" 1
596 1 27 ARG H 1 28 MET QB 4.540 . 5.000 4.590 4.334 5.048 0.048 20 0 "[ . 1 . 2 ]" 1
597 1 27 ARG HA 1 30 LEU MD1 3.860 . 5.000 1.953 1.803 2.278 . 0 0 "[ . 1 . 2 ]" 1
598 1 27 ARG H 1 27 ARG QG 3.890 . 5.000 2.860 1.799 3.732 0.001 10 0 "[ . 1 . 2 ]" 1
599 1 27 ARG HA 1 30 LEU MD2 3.030 . 3.800 3.737 3.623 3.866 0.066 11 0 "[ . 1 . 2 ]" 1
600 1 27 ARG H 1 27 ARG QB 3.390 . 3.800 2.400 2.060 2.975 . 0 0 "[ . 1 . 2 ]" 1
601 1 27 ARG QG 1 28 MET H 4.180 . 5.000 4.149 2.281 4.776 . 0 0 "[ . 1 . 2 ]" 1
602 1 27 ARG HA 1 27 ARG QD . . 3.800 3.172 2.361 3.871 0.071 11 0 "[ . 1 . 2 ]" 1
603 1 27 ARG QB 1 28 MET H 4.000 . 5.000 3.143 2.917 3.709 . 0 0 "[ . 1 . 2 ]" 1
604 1 28 MET HA 1 28 MET QG . . 3.800 2.272 2.006 3.314 . 0 0 "[ . 1 . 2 ]" 1
605 1 28 MET QB 1 29 ARG H 3.920 . 5.000 2.689 2.560 3.401 . 0 0 "[ . 1 . 2 ]" 1
606 1 28 MET H 1 28 MET QG 3.670 . 3.800 3.015 2.025 3.852 0.052 18 0 "[ . 1 . 2 ]" 1
607 1 28 MET H 1 28 MET QB 3.570 . 3.800 2.193 2.051 2.633 . 0 0 "[ . 1 . 2 ]" 1
608 1 29 ARG QG 1 32 ARG QD 4.220 . 5.000 4.230 3.462 5.041 0.041 17 0 "[ . 1 . 2 ]" 1
609 1 29 ARG HA 1 31 GLU H 4.190 . 5.000 3.369 3.125 3.764 . 0 0 "[ . 1 . 2 ]" 1
610 1 29 ARG H 1 29 ARG QG 3.870 . 5.000 2.158 1.983 2.515 . 0 0 "[ . 1 . 2 ]" 1
611 1 30 LEU H 1 30 LEU MD1 3.580 . 3.800 3.801 3.565 3.884 0.084 11 0 "[ . 1 . 2 ]" 1
612 1 30 LEU H 1 33 HIS HD1 4.180 . 5.000 4.281 3.761 4.556 . 0 0 "[ . 1 . 2 ]" 1
613 1 30 LEU QB 1 31 GLU H 3.770 . 3.800 2.849 2.617 3.033 . 0 0 "[ . 1 . 2 ]" 1
614 1 30 LEU QB 1 30 LEU MD1 3.020 . 3.800 2.079 2.056 2.104 . 0 0 "[ . 1 . 2 ]" 1
615 1 30 LEU H 1 30 LEU MD2 3.420 . 3.800 3.892 3.814 3.987 0.187 11 0 "[ . 1 . 2 ]" 1
616 1 30 LEU HA 1 33 HIS HD1 3.130 . 3.800 2.464 1.956 2.937 . 0 0 "[ . 1 . 2 ]" 1
617 1 30 LEU MD1 1 30 LEU MD2 2.810 . 3.800 2.006 1.891 2.099 . 0 0 "[ . 1 . 2 ]" 1
618 1 30 LEU MD2 1 31 GLU H 3.880 . 5.000 4.574 4.384 4.699 . 0 0 "[ . 1 . 2 ]" 1
619 1 30 LEU H 1 30 LEU QB 3.560 . 3.800 2.115 2.021 2.211 . 0 0 "[ . 1 . 2 ]" 1
620 1 30 LEU MD2 1 33 HIS HD1 3.370 . 3.800 3.048 2.312 3.515 . 0 0 "[ . 1 . 2 ]" 1
621 1 30 LEU HA 1 30 LEU MD2 3.010 . 3.800 1.928 1.778 2.126 0.022 1 0 "[ . 1 . 2 ]" 1
622 1 30 LEU HA 1 30 LEU MD1 4.040 . 5.000 3.759 3.726 3.804 . 0 0 "[ . 1 . 2 ]" 1
623 1 31 GLU HA 1 39 PHE QE 3.970 . 5.000 3.168 2.978 3.287 . 0 0 "[ . 1 . 2 ]" 1
624 1 31 GLU H 1 67 LEU MD1 3.630 . 3.800 3.856 3.821 3.892 0.092 7 0 "[ . 1 . 2 ]" 1
625 1 31 GLU HA 1 67 LEU MD1 3.810 . 5.000 2.989 2.785 3.106 . 0 0 "[ . 1 . 2 ]" 1
626 1 31 GLU QG 1 50 PHE QE 3.720 . 3.800 3.052 2.397 3.364 . 0 0 "[ . 1 . 2 ]" 1
627 1 31 GLU H 1 34 LEU MD1 3.700 . 3.800 3.877 3.808 3.940 0.140 7 0 "[ . 1 . 2 ]" 1
628 1 31 GLU HA 1 43 PHE QD 4.300 . 5.000 4.978 4.826 5.054 0.054 1 0 "[ . 1 . 2 ]" 1
629 1 31 GLU HB2 1 43 PHE QE 4.450 . 5.000 2.185 1.865 3.056 . 0 0 "[ . 1 . 2 ]" 1
630 1 31 GLU HA 1 43 PHE QE 3.610 . 3.800 2.745 2.540 3.300 . 0 0 "[ . 1 . 2 ]" 1
631 1 31 GLU QG 1 43 PHE QE 3.780 . 3.800 3.860 3.702 3.932 0.132 5 0 "[ . 1 . 2 ]" 1
632 1 31 GLU HB3 1 43 PHE QE 4.190 . 5.000 3.254 2.909 3.588 . 0 0 "[ . 1 . 2 ]" 1
633 1 31 GLU QG 1 32 ARG H 4.760 . 5.000 3.684 3.474 3.897 . 0 0 "[ . 1 . 2 ]" 1
634 1 31 GLU QG 1 43 PHE HZ 4.370 . 5.000 3.918 3.438 4.311 . 0 0 "[ . 1 . 2 ]" 1
635 1 31 GLU QG 1 50 PHE QD 4.040 . 5.000 3.532 2.941 4.033 . 0 0 "[ . 1 . 2 ]" 1
636 1 31 GLU H 1 31 GLU QG 3.780 . 3.800 2.798 1.829 3.425 . 0 0 "[ . 1 . 2 ]" 1
637 1 31 GLU HA 1 34 LEU MD1 3.100 . 3.800 1.734 1.693 1.778 0.107 2 0 "[ . 1 . 2 ]" 1
638 1 31 GLU QG 1 39 PHE QE 3.530 . 3.800 3.110 2.593 3.817 0.017 20 0 "[ . 1 . 2 ]" 1
639 1 31 GLU HB2 1 39 PHE QE 3.570 . 3.800 1.949 1.800 2.034 0.000 20 0 "[ . 1 . 2 ]" 1
640 1 31 GLU HB3 1 39 PHE QE 3.750 . 3.800 3.643 3.270 3.734 . 0 0 "[ . 1 . 2 ]" 1
641 1 31 GLU H 1 39 PHE QE 4.300 . 5.000 5.018 4.931 5.078 0.078 20 0 "[ . 1 . 2 ]" 1
642 1 32 ARG H 1 32 ARG QB 3.180 . 3.800 2.400 2.346 2.458 . 0 0 "[ . 1 . 2 ]" 1
643 1 32 ARG H 1 32 ARG QG 4.030 . 5.000 3.964 3.858 4.039 . 0 0 "[ . 1 . 2 ]" 1
644 1 32 ARG QB 1 34 LEU MD1 3.990 . 5.000 5.154 5.063 5.210 0.210 15 0 "[ . 1 . 2 ]" 1
645 1 32 ARG HA 1 32 ARG QG 3.650 . 3.800 2.148 2.010 2.938 . 0 0 "[ . 1 . 2 ]" 1
646 1 32 ARG QG 1 33 HIS H 4.010 . 5.000 4.595 3.958 4.799 . 0 0 "[ . 1 . 2 ]" 1
647 1 32 ARG QB 1 33 HIS HD2 4.360 . 5.000 4.237 3.886 4.848 . 0 0 "[ . 1 . 2 ]" 1
648 1 32 ARG H 1 33 HIS HD1 4.390 . 5.000 4.020 3.480 4.312 . 0 0 "[ . 1 . 2 ]" 1
649 1 33 HIS H 1 33 HIS HD2 3.640 . 3.800 3.575 3.195 3.816 0.016 21 0 "[ . 1 . 2 ]" 1
650 1 34 LEU HB2 1 35 SER H 3.840 . 5.000 4.024 3.950 4.136 . 0 0 "[ . 1 . 2 ]" 1
651 1 34 LEU MD1 1 42 VAL MG1 3.550 . 3.800 3.827 3.801 3.854 0.054 17 0 "[ . 1 . 2 ]" 1
652 1 34 LEU MD2 1 38 ASP HB3 4.160 . 5.000 1.892 1.829 1.952 . 0 0 "[ . 1 . 2 ]" 1
653 1 34 LEU MD1 1 35 SER H 4.550 . 5.000 5.059 5.025 5.101 0.101 16 0 "[ . 1 . 2 ]" 1
654 1 34 LEU MD1 1 39 PHE QB 4.000 . 5.000 3.806 3.612 3.947 . 0 0 "[ . 1 . 2 ]" 1
655 1 34 LEU MD1 1 39 PHE H 3.890 . 5.000 4.539 4.414 4.663 . 0 0 "[ . 1 . 2 ]" 1
656 1 34 LEU MD1 1 42 VAL MG2 3.360 . 3.800 3.329 3.153 3.501 . 0 0 "[ . 1 . 2 ]" 1
657 1 34 LEU MD1 1 39 PHE HA 3.300 . 3.800 3.219 3.110 3.318 . 0 0 "[ . 1 . 2 ]" 1
658 1 34 LEU HB2 1 39 PHE QD 3.540 . 3.800 2.163 2.032 2.537 . 0 0 "[ . 1 . 2 ]" 1
659 1 34 LEU MD1 1 39 PHE QD 3.190 . 3.800 2.056 1.896 2.197 . 0 0 "[ . 1 . 2 ]" 1
660 1 34 LEU HB3 1 34 LEU MD1 3.490 . 3.800 2.836 2.772 2.906 . 0 0 "[ . 1 . 2 ]" 1
661 1 34 LEU HB3 1 39 PHE QD 3.420 . 3.800 3.311 3.126 3.683 . 0 0 "[ . 1 . 2 ]" 1
662 1 34 LEU QD 1 43 PHE QD 3.390 . 3.800 3.572 3.406 3.666 . 0 0 "[ . 1 . 2 ]" 1
663 1 34 LEU H 1 34 LEU MD1 3.550 . 3.800 2.907 2.696 3.070 . 0 0 "[ . 1 . 2 ]" 1
664 1 34 LEU H 1 34 LEU MD2 3.800 . 3.800 4.048 4.003 4.158 0.358 12 0 "[ . 1 . 2 ]" 1
665 1 34 LEU HG 1 43 PHE QE 3.820 . 5.000 5.003 4.413 5.058 0.058 21 0 "[ . 1 . 2 ]" 1
666 1 34 LEU MD1 1 34 LEU MD2 2.710 . 2.800 2.012 1.858 2.058 . 0 0 "[ . 1 . 2 ]" 1
667 1 34 LEU HG 1 39 PHE QD 4.120 . 5.000 4.433 4.276 4.632 . 0 0 "[ . 1 . 2 ]" 1
668 1 34 LEU MD2 1 39 PHE H 4.410 . 5.000 3.798 3.443 4.040 . 0 0 "[ . 1 . 2 ]" 1
669 1 34 LEU QD 1 43 PHE QE 3.090 . 3.800 2.209 1.797 2.287 0.003 1 0 "[ . 1 . 2 ]" 1
670 1 34 LEU MD1 1 39 PHE QE 3.780 . 3.800 3.084 2.939 3.212 . 0 0 "[ . 1 . 2 ]" 1
671 1 34 LEU MD2 1 35 SER H 3.430 . 3.800 3.530 3.377 3.808 0.008 3 0 "[ . 1 . 2 ]" 1
672 1 35 SER H 1 35 SER QB 3.570 . 3.800 2.612 2.162 2.936 . 0 0 "[ . 1 . 2 ]" 1
673 1 35 SER HA 1 35 SER QB . . 2.800 2.221 2.161 2.501 . 0 0 "[ . 1 . 2 ]" 1
674 1 35 SER QB 1 36 ALA H 3.360 . 3.800 2.687 2.349 3.314 . 0 0 "[ . 1 . 2 ]" 1
675 1 35 SER QB 1 37 GLU H 3.940 . 5.000 2.726 2.285 3.232 . 0 0 "[ . 1 . 2 ]" 1
676 1 36 ALA HA 1 39 PHE QB . . 3.800 2.959 2.863 3.076 . 0 0 "[ . 1 . 2 ]" 1
677 1 36 ALA HA 1 39 PHE QD 4.100 . 5.000 4.566 4.274 4.785 . 0 0 "[ . 1 . 2 ]" 1
678 1 36 ALA MB 1 47 PRO QD 4.040 . 5.000 4.128 3.756 4.445 . 0 0 "[ . 1 . 2 ]" 1
679 1 36 ALA HA 1 47 PRO QD 4.030 . 5.000 3.841 3.421 4.198 . 0 0 "[ . 1 . 2 ]" 1
680 1 36 ALA MB 1 37 GLU H 2.910 . 3.800 2.737 2.432 2.898 . 0 0 "[ . 1 . 2 ]" 1
681 1 37 GLU HA 1 37 GLU QG 3.490 . 3.800 3.172 2.891 3.413 . 0 0 "[ . 1 . 2 ]" 1
682 1 37 GLU QG 1 38 ASP H 4.010 . 5.000 2.431 1.887 3.022 . 0 0 "[ . 1 . 2 ]" 1
683 1 37 GLU H 1 37 GLU QG 3.960 . 5.000 1.879 1.838 1.941 . 0 0 "[ . 1 . 2 ]" 1
684 1 37 GLU HA 1 40 SER H 3.930 . 5.000 3.993 3.551 4.261 . 0 0 "[ . 1 . 2 ]" 1
685 1 37 GLU H 1 37 GLU QB 3.260 . 3.800 2.909 2.854 2.953 . 0 0 "[ . 1 . 2 ]" 1
686 1 38 ASP HB2 1 42 VAL MG2 4.080 . 5.000 4.407 4.168 4.811 . 0 0 "[ . 1 . 2 ]" 1
687 1 39 PHE QD 1 43 PHE HB3 4.160 . 5.000 4.986 4.721 5.056 0.056 10 0 "[ . 1 . 2 ]" 1
688 1 39 PHE QE 1 47 PRO QD 3.960 . 5.000 3.745 3.228 4.169 . 0 0 "[ . 1 . 2 ]" 1
689 1 39 PHE HA 1 43 PHE QE 4.110 . 5.000 3.636 2.787 3.852 . 0 0 "[ . 1 . 2 ]" 1
690 1 39 PHE QD 1 43 PHE QD 3.610 . 3.800 2.771 2.409 2.929 . 0 0 "[ . 1 . 2 ]" 1
691 1 39 PHE HA 1 39 PHE QD 3.250 . 3.800 2.474 2.066 2.624 . 0 0 "[ . 1 . 2 ]" 1
692 1 39 PHE HA 1 42 VAL MG2 4.000 . 5.000 3.573 3.421 3.756 . 0 0 "[ . 1 . 2 ]" 1
693 1 39 PHE QE 1 50 PHE QD 3.470 . 3.800 3.061 2.909 3.255 . 0 0 "[ . 1 . 2 ]" 1
694 1 39 PHE HZ 1 50 PHE QD 3.280 . 3.800 1.944 1.819 2.052 . 0 0 "[ . 1 . 2 ]" 1
695 1 39 PHE QD 1 40 SER H 3.590 . 3.800 3.612 3.339 3.826 0.026 16 0 "[ . 1 . 2 ]" 1
696 1 39 PHE QE 1 53 LEU MD1 4.220 . 5.000 4.931 4.611 5.031 0.031 10 0 "[ . 1 . 2 ]" 1
697 1 39 PHE HZ 1 45 MET ME 3.890 . 5.000 2.871 2.382 4.860 . 0 0 "[ . 1 . 2 ]" 1
698 1 39 PHE QE 1 61 LEU MD1 4.060 . 5.000 5.044 4.853 5.092 0.092 12 0 "[ . 1 . 2 ]" 1
699 1 39 PHE QE 1 43 PHE HB3 4.510 . 5.000 4.381 4.195 4.609 . 0 0 "[ . 1 . 2 ]" 1
700 1 39 PHE QE 1 43 PHE HB2 4.070 . 5.000 3.873 3.661 4.192 . 0 0 "[ . 1 . 2 ]" 1
701 1 39 PHE QE 1 43 PHE QD 3.710 . 3.800 2.954 2.817 3.486 . 0 0 "[ . 1 . 2 ]" 1
702 1 39 PHE QE 1 43 PHE QE 3.750 . 3.800 2.150 1.941 3.091 . 0 0 "[ . 1 . 2 ]" 1
703 1 39 PHE H 1 39 PHE QD 3.360 . 3.800 3.941 3.919 4.009 0.209 20 0 "[ . 1 . 2 ]" 1
704 1 39 PHE QE 1 45 MET H 4.230 . 5.000 4.373 3.971 4.801 . 0 0 "[ . 1 . 2 ]" 1
705 1 39 PHE QE 1 45 MET QG 4.380 . 5.000 3.411 1.897 4.046 . 0 0 "[ . 1 . 2 ]" 1
706 1 39 PHE QD 1 47 PRO QD 3.980 . 5.000 2.559 2.111 2.916 . 0 0 "[ . 1 . 2 ]" 1
707 1 39 PHE HA 1 43 PHE QD 3.270 . 3.800 2.717 2.056 2.929 . 0 0 "[ . 1 . 2 ]" 1
708 1 39 PHE QD 1 45 MET H 3.840 . 5.000 4.084 3.824 4.636 . 0 0 "[ . 1 . 2 ]" 1
709 1 39 PHE QE 1 50 PHE HB3 4.010 . 5.000 4.247 3.753 4.653 . 0 0 "[ . 1 . 2 ]" 1
710 1 39 PHE QD 1 40 SER HA 3.910 . 5.000 3.802 3.596 4.173 . 0 0 "[ . 1 . 2 ]" 1
711 1 39 PHE QE 1 50 PHE HB2 4.040 . 5.000 2.899 2.352 3.341 . 0 0 "[ . 1 . 2 ]" 1
712 1 39 PHE H 1 39 PHE QB 3.180 . 3.800 2.158 2.142 2.201 . 0 0 "[ . 1 . 2 ]" 1
713 1 39 PHE QB 1 40 SER H 3.410 . 3.800 2.117 1.924 2.323 . 0 0 "[ . 1 . 2 ]" 1
714 1 39 PHE QE 1 47 PRO HA 3.430 . 3.800 2.321 2.120 2.576 . 0 0 "[ . 1 . 2 ]" 1
715 1 39 PHE HA 1 42 VAL H 4.490 . 5.000 3.479 3.410 3.619 . 0 0 "[ . 1 . 2 ]" 1
716 1 39 PHE QE 1 50 PHE H 3.770 . 3.800 3.224 2.833 3.521 . 0 0 "[ . 1 . 2 ]" 1
717 1 39 PHE QD 1 43 PHE HB2 4.750 . 5.000 3.788 3.591 3.916 . 0 0 "[ . 1 . 2 ]" 1
718 1 40 SER HA 1 44 ALA H 3.720 . 3.800 2.421 2.305 2.498 . 0 0 "[ . 1 . 2 ]" 1
719 1 40 SER HA 1 47 PRO QD 4.120 . 5.000 5.061 5.049 5.075 0.075 20 0 "[ . 1 . 2 ]" 1
720 1 40 SER H 1 40 SER QB 3.530 . 3.800 2.272 2.104 2.489 . 0 0 "[ . 1 . 2 ]" 1
721 1 40 SER QB 1 41 ARG H 3.410 . 3.800 3.279 3.076 3.748 . 0 0 "[ . 1 . 2 ]" 1
722 1 40 SER H 1 41 ARG QB 4.290 . 5.000 4.485 4.274 4.892 . 0 0 "[ . 1 . 2 ]" 1
723 1 41 ARG QG 1 42 VAL MG2 4.260 . 5.000 3.285 1.855 4.132 . 0 0 "[ . 1 . 2 ]" 1
724 1 41 ARG HA 1 41 ARG QG 3.780 . 3.800 2.751 2.438 3.329 . 0 0 "[ . 1 . 2 ]" 1
725 1 41 ARG QG 1 42 VAL H 3.800 . 3.800 3.706 2.527 3.880 0.080 21 0 "[ . 1 . 2 ]" 1
726 1 41 ARG H 1 41 ARG QG 3.930 . 5.000 3.783 2.356 4.035 . 0 0 "[ . 1 . 2 ]" 1
727 1 41 ARG H 1 41 ARG QB 3.350 . 3.800 2.335 2.260 2.564 . 0 0 "[ . 1 . 2 ]" 1
728 1 41 ARG QB 1 42 VAL H 3.340 . 3.800 2.765 2.499 3.621 . 0 0 "[ . 1 . 2 ]" 1
729 1 41 ARG H 1 42 VAL MG2 3.770 . 3.800 3.673 3.589 3.773 . 0 0 "[ . 1 . 2 ]" 1
730 1 41 ARG QB 1 42 VAL MG2 3.780 . 3.800 2.785 2.562 3.749 . 0 0 "[ . 1 . 2 ]" 1
731 1 42 VAL MG1 1 42 VAL MG2 2.590 . 2.800 1.998 1.939 2.033 . 0 0 "[ . 1 . 2 ]" 1
732 1 42 VAL H 1 42 VAL MG2 2.880 . 3.800 2.142 1.953 2.322 . 0 0 "[ . 1 . 2 ]" 1
733 1 42 VAL MG1 1 43 PHE H 3.730 . 3.800 3.745 3.554 3.822 0.022 16 0 "[ . 1 . 2 ]" 1
734 1 42 VAL MG1 1 65 ALA HA 3.740 . 3.800 2.107 1.913 2.391 . 0 0 "[ . 1 . 2 ]" 1
735 1 42 VAL MG1 1 43 PHE HA 3.930 . 5.000 3.827 3.664 3.916 . 0 0 "[ . 1 . 2 ]" 1
736 1 42 VAL MG1 1 65 ALA MB 2.800 . 2.800 1.722 1.697 1.763 0.103 17 0 "[ . 1 . 2 ]" 1
737 1 42 VAL MG1 1 67 LEU MD1 3.220 . 3.800 2.796 2.626 2.958 . 0 0 "[ . 1 . 2 ]" 1
738 1 42 VAL MG2 1 43 PHE H 3.650 . 3.800 3.692 3.585 3.795 . 0 0 "[ . 1 . 2 ]" 1
739 1 42 VAL HA 1 42 VAL MG2 2.820 . 3.800 2.568 2.524 2.619 . 0 0 "[ . 1 . 2 ]" 1
740 1 42 VAL HA 1 42 VAL MG1 2.940 . 3.800 2.343 2.309 2.381 . 0 0 "[ . 1 . 2 ]" 1
741 1 42 VAL MG2 1 43 PHE QE 4.020 . 5.000 4.596 3.374 4.918 . 0 0 "[ . 1 . 2 ]" 1
742 1 42 VAL MG1 1 43 PHE HZ 3.900 . 5.000 4.174 3.841 4.500 . 0 0 "[ . 1 . 2 ]" 1
743 1 42 VAL H 1 43 PHE QD 4.610 . 5.000 4.582 3.283 4.863 . 0 0 "[ . 1 . 2 ]" 1
744 1 42 VAL HB 1 43 PHE QD 4.170 . 5.000 3.578 2.379 3.856 . 0 0 "[ . 1 . 2 ]" 1
745 1 42 VAL QG 1 43 PHE QD . . 3.800 3.559 3.281 3.688 . 0 0 "[ . 1 . 2 ]" 1
746 1 42 VAL MG2 1 67 LEU MD1 3.610 . 3.800 3.919 3.889 3.961 0.161 20 0 "[ . 1 . 2 ]" 1
747 1 42 VAL QG 1 43 PHE QE 3.560 . 3.800 3.507 3.009 3.721 . 0 0 "[ . 1 . 2 ]" 1
748 1 42 VAL MG2 1 64 LYS QE 4.060 . 5.000 5.023 5.002 5.056 0.056 17 0 "[ . 1 . 2 ]" 1
749 1 42 VAL H 1 42 VAL QG 3.310 . 3.800 2.130 1.947 2.303 . 0 0 "[ . 1 . 2 ]" 1
750 1 43 PHE HA 1 43 PHE QE 4.110 . 5.000 4.464 4.277 4.793 . 0 0 "[ . 1 . 2 ]" 1
751 1 43 PHE QD 1 44 ALA H 4.500 . 5.000 4.315 3.816 4.485 . 0 0 "[ . 1 . 2 ]" 1
752 1 43 PHE QD 1 45 MET H 4.270 . 5.000 4.418 4.317 4.513 . 0 0 "[ . 1 . 2 ]" 1
753 1 43 PHE QD 1 50 PHE QD 3.850 . 5.000 3.581 3.062 3.839 . 0 0 "[ . 1 . 2 ]" 1
754 1 43 PHE QE 1 50 PHE QE 3.690 . 3.800 2.824 2.097 3.028 . 0 0 "[ . 1 . 2 ]" 1
755 1 43 PHE QD 1 50 PHE QE 3.710 . 3.800 2.990 1.854 3.179 . 0 0 "[ . 1 . 2 ]" 1
756 1 43 PHE QE 1 61 LEU MD2 3.920 . 5.000 4.262 3.827 4.700 . 0 0 "[ . 1 . 2 ]" 1
757 1 43 PHE HZ 1 62 LYS QG 4.640 . 5.000 2.869 2.538 4.216 . 0 0 "[ . 1 . 2 ]" 1
758 1 43 PHE HA 1 43 PHE QD 2.900 . 3.800 2.349 2.016 3.161 . 0 0 "[ . 1 . 2 ]" 1
759 1 43 PHE QE 1 50 PHE HZ 4.020 . 5.000 3.670 2.814 3.927 . 0 0 "[ . 1 . 2 ]" 1
760 1 43 PHE QE 1 62 LYS QG 4.270 . 5.000 3.175 2.636 4.147 . 0 0 "[ . 1 . 2 ]" 1
761 1 43 PHE QE 1 62 LYS H 3.920 . 5.000 3.296 2.823 3.538 . 0 0 "[ . 1 . 2 ]" 1
762 1 43 PHE HB2 1 43 PHE QD 3.040 . 3.800 2.271 2.241 2.510 . 0 0 "[ . 1 . 2 ]" 1
763 1 43 PHE HB3 1 43 PHE QD 3.040 . 3.800 2.622 2.297 2.723 . 0 0 "[ . 1 . 2 ]" 1
764 1 43 PHE QE 1 61 LEU HB2 3.490 . 3.800 3.196 2.246 3.433 . 0 0 "[ . 1 . 2 ]" 1
765 1 43 PHE QE 1 67 LEU HB2 3.970 . 5.000 5.049 4.925 5.107 0.107 3 0 "[ . 1 . 2 ]" 1
766 1 43 PHE QE 1 65 ALA MB 3.190 . 3.800 1.920 1.783 2.769 0.017 5 0 "[ . 1 . 2 ]" 1
767 1 43 PHE QE 1 67 LEU QD 3.640 . 3.800 2.524 2.078 2.609 . 0 0 "[ . 1 . 2 ]" 1
768 1 43 PHE QD 1 61 LEU HB3 3.680 . 3.800 1.899 1.773 1.951 0.027 1 0 "[ . 1 . 2 ]" 1
769 1 43 PHE QD 1 45 MET ME 3.750 . 3.800 3.640 2.796 3.878 0.078 20 0 "[ . 1 . 2 ]" 1
770 1 43 PHE QD 1 61 LEU HB2 3.320 . 3.800 3.480 2.968 3.584 . 0 0 "[ . 1 . 2 ]" 1
771 1 43 PHE QD 1 65 ALA MB 3.700 . 3.800 2.858 2.687 3.243 . 0 0 "[ . 1 . 2 ]" 1
772 1 43 PHE QD 1 61 LEU QD 3.360 . 3.800 2.621 2.467 2.763 . 0 0 "[ . 1 . 2 ]" 1
773 1 43 PHE HZ 1 65 ALA MB 3.410 . 3.800 2.881 2.650 2.991 . 0 0 "[ . 1 . 2 ]" 1
774 1 43 PHE HB3 1 43 PHE QE 4.270 . 5.000 4.462 4.376 4.489 . 0 0 "[ . 1 . 2 ]" 1
775 1 43 PHE HZ 1 67 LEU MD1 3.030 . 3.800 1.834 1.757 1.904 0.043 1 0 "[ . 1 . 2 ]" 1
776 1 43 PHE H 1 43 PHE QD 3.420 . 3.800 3.198 2.122 3.475 . 0 0 "[ . 1 . 2 ]" 1
777 1 45 MET ME 1 61 LEU MD2 3.190 . 3.800 3.217 2.054 3.749 . 0 0 "[ . 1 . 2 ]" 1
778 1 45 MET ME 1 50 PHE QD 3.370 . 3.800 1.902 1.772 3.522 0.028 15 0 "[ . 1 . 2 ]" 1
779 1 45 MET QG 1 46 SER H 3.980 . 5.000 3.787 2.168 4.344 . 0 0 "[ . 1 . 2 ]" 1
780 1 45 MET QG 1 50 PHE H 3.950 . 5.000 4.342 2.364 5.033 0.033 1 0 "[ . 1 . 2 ]" 1
781 1 45 MET H 1 45 MET QG 4.090 . 5.000 2.223 1.858 3.613 . 0 0 "[ . 1 . 2 ]" 1
782 1 45 MET HB2 1 45 MET ME 3.610 . 3.800 2.330 1.771 4.097 0.297 15 0 "[ . 1 . 2 ]" 1
783 1 45 MET ME 1 45 MET QG 3.280 . 3.800 2.366 1.971 2.755 . 0 0 "[ . 1 . 2 ]" 1
784 1 45 MET ME 1 53 LEU MD1 2.730 . 2.800 2.058 1.735 2.320 0.065 5 0 "[ . 1 . 2 ]" 1
785 1 45 MET ME 1 49 GLU H 3.840 . 5.000 4.155 3.601 5.230 0.230 10 0 "[ . 1 . 2 ]" 1
786 1 45 MET ME 1 53 LEU MD2 3.260 . 3.800 3.406 2.464 3.807 0.007 15 0 "[ . 1 . 2 ]" 1
787 1 45 MET ME 1 61 LEU MD1 2.680 . 2.800 2.560 1.768 2.870 0.070 12 0 "[ . 1 . 2 ]" 1
788 1 46 SER QB 1 48 GLU H 3.990 . 5.000 2.620 2.240 3.247 . 0 0 "[ . 1 . 2 ]" 1
789 1 46 SER H 1 49 GLU QG 4.060 . 5.000 2.557 1.994 3.069 . 0 0 "[ . 1 . 2 ]" 1
790 1 46 SER QB 1 47 PRO QD 4.170 . 5.000 2.849 2.480 3.367 . 0 0 "[ . 1 . 2 ]" 1
791 1 47 PRO QD 1 48 GLU H 3.780 . 3.800 2.812 2.650 3.026 . 0 0 "[ . 1 . 2 ]" 1
792 1 47 PRO HA 1 50 PHE QD 3.950 . 5.000 4.661 4.353 4.885 . 0 0 "[ . 1 . 2 ]" 1
793 1 47 PRO QB 1 48 GLU H 3.750 . 3.800 2.823 2.653 3.116 . 0 0 "[ . 1 . 2 ]" 1
794 1 47 PRO HA 1 47 PRO QG 3.450 . 3.800 2.931 2.882 3.463 . 0 0 "[ . 1 . 2 ]" 1
795 1 47 PRO QG 1 48 GLU H 3.980 . 5.000 3.838 2.897 3.948 . 0 0 "[ . 1 . 2 ]" 1
796 1 48 GLU H 1 48 GLU QG 3.620 . 3.800 2.822 2.207 3.807 0.007 14 0 "[ . 1 . 2 ]" 1
797 1 48 GLU HA 1 48 GLU QG 3.450 . 3.800 3.152 2.664 3.446 . 0 0 "[ . 1 . 2 ]" 1
798 1 49 GLU H 1 49 GLU QG 3.490 . 3.800 3.015 2.646 3.277 . 0 0 "[ . 1 . 2 ]" 1
799 1 49 GLU QG 1 50 PHE H 4.080 . 5.000 4.334 4.204 4.402 . 0 0 "[ . 1 . 2 ]" 1
800 1 50 PHE QE 1 53 LEU MD1 3.840 . 5.000 4.147 3.597 4.297 . 0 0 "[ . 1 . 2 ]" 1
801 1 50 PHE QD 1 58 ARG HA 4.150 . 5.000 3.823 3.651 3.988 . 0 0 "[ . 1 . 2 ]" 1
802 1 50 PHE HB2 1 50 PHE QD 3.130 . 3.800 2.313 2.259 2.417 . 0 0 "[ . 1 . 2 ]" 1
803 1 50 PHE H 1 53 LEU MD1 4.010 . 5.000 3.668 3.408 3.995 . 0 0 "[ . 1 . 2 ]" 1
804 1 50 PHE QD 1 61 LEU HB2 4.060 . 5.000 4.347 4.034 4.536 . 0 0 "[ . 1 . 2 ]" 1
805 1 50 PHE QE 1 61 LEU MD2 4.080 . 5.000 3.672 3.509 3.903 . 0 0 "[ . 1 . 2 ]" 1
806 1 50 PHE QD 1 53 LEU MD1 3.230 . 3.800 3.375 2.839 3.513 . 0 0 "[ . 1 . 2 ]" 1
807 1 50 PHE QE 1 62 LYS QD 4.300 . 5.000 2.643 2.094 3.346 . 0 0 "[ . 1 . 2 ]" 1
808 1 50 PHE HZ 1 62 LYS QD . . 3.800 2.550 2.014 3.190 . 0 0 "[ . 1 . 2 ]" 1
809 1 50 PHE QE 1 58 ARG HA 3.410 . 3.800 2.901 2.668 3.053 . 0 0 "[ . 1 . 2 ]" 1
810 1 50 PHE QE 1 58 ARG QD 3.860 . 5.000 3.047 2.484 4.209 . 0 0 "[ . 1 . 2 ]" 1
811 1 50 PHE QD 1 58 ARG QD 3.790 . 3.800 2.579 1.921 3.229 . 0 0 "[ . 1 . 2 ]" 1
812 1 50 PHE QE 1 61 LEU HB3 3.330 . 3.800 2.504 2.269 2.730 . 0 0 "[ . 1 . 2 ]" 1
813 1 50 PHE QE 1 62 LYS H 4.020 . 5.000 3.635 3.390 3.798 . 0 0 "[ . 1 . 2 ]" 1
814 1 50 PHE QE 1 61 LEU HB2 3.770 . 3.800 2.502 2.129 2.751 . 0 0 "[ . 1 . 2 ]" 1
815 1 50 PHE QE 1 58 ARG HB2 4.160 . 5.000 3.561 3.456 3.629 . 0 0 "[ . 1 . 2 ]" 1
816 1 50 PHE H 1 50 PHE QD 3.340 . 3.800 3.756 3.500 3.864 0.064 5 0 "[ . 1 . 2 ]" 1
817 1 50 PHE QE 1 62 LYS QG 4.470 . 5.000 3.090 2.959 3.212 . 0 0 "[ . 1 . 2 ]" 1
818 1 50 PHE HZ 1 62 LYS QG 4.100 . 5.000 1.979 1.828 2.158 . 0 0 "[ . 1 . 2 ]" 1
819 1 50 PHE HZ 1 61 LEU MD1 3.780 . 3.800 2.874 2.736 3.217 . 0 0 "[ . 1 . 2 ]" 1
820 1 50 PHE HZ 1 58 ARG QG 4.210 . 5.000 4.325 3.977 4.662 . 0 0 "[ . 1 . 2 ]" 1
821 1 50 PHE HA 1 53 LEU MD2 4.210 . 5.000 3.593 3.539 3.758 . 0 0 "[ . 1 . 2 ]" 1
822 1 50 PHE HA 1 53 LEU MD1 3.120 . 3.800 1.908 1.802 2.028 . 0 0 "[ . 1 . 2 ]" 1
823 1 50 PHE QD 1 61 LEU MD1 3.160 . 3.800 3.017 2.798 3.167 . 0 0 "[ . 1 . 2 ]" 1
824 1 50 PHE QE 1 58 ARG QG 4.180 . 5.000 2.821 2.494 3.208 . 0 0 "[ . 1 . 2 ]" 1
825 1 50 PHE QD 1 51 GLY H 3.620 . 3.800 3.761 3.645 3.874 0.074 20 0 "[ . 1 . 2 ]" 1
826 1 50 PHE HA 1 50 PHE QD 3.290 . 3.800 3.049 2.856 3.074 . 0 0 "[ . 1 . 2 ]" 1
827 1 50 PHE QD 1 51 GLY QA 4.060 . 5.000 3.560 3.444 3.880 . 0 0 "[ . 1 . 2 ]" 1
828 1 50 PHE QE 1 61 LEU H 4.130 . 5.000 4.876 4.589 5.009 0.009 10 0 "[ . 1 . 2 ]" 1
829 1 51 GLY QA 1 52 LYS H 4.310 . 5.000 2.840 2.793 2.857 . 0 0 "[ . 1 . 2 ]" 1
830 1 52 LYS HA 1 52 LYS QG 3.380 . 3.800 2.356 2.036 2.940 . 0 0 "[ . 1 . 2 ]" 1
831 1 52 LYS H 1 52 LYS QG . . 3.800 2.973 2.468 3.777 . 0 0 "[ . 1 . 2 ]" 1
832 1 52 LYS HA 1 53 LEU MD2 4.190 . 5.000 4.918 4.826 5.024 0.024 4 0 "[ . 1 . 2 ]" 1
833 1 53 LEU MD1 1 58 ARG HA 3.860 . 5.000 3.355 2.991 3.613 . 0 0 "[ . 1 . 2 ]" 1
834 1 53 LEU HA 1 53 LEU MD2 2.870 . 3.800 1.981 1.914 2.059 . 0 0 "[ . 1 . 2 ]" 1
835 1 53 LEU HA 1 53 LEU MD1 3.750 . 3.800 3.738 3.707 3.788 . 0 0 "[ . 1 . 2 ]" 1
836 1 53 LEU MD2 1 54 ALA H 3.190 . 3.800 3.690 3.616 3.780 . 0 0 "[ . 1 . 2 ]" 1
837 1 53 LEU H 1 53 LEU MD1 3.400 . 3.800 3.852 3.782 3.882 0.082 6 0 "[ . 1 . 2 ]" 1
838 1 53 LEU H 1 53 LEU MD2 3.310 . 3.800 3.145 3.045 3.339 . 0 0 "[ . 1 . 2 ]" 1
839 1 53 LEU HA 1 54 ALA H 3.110 . 3.800 3.028 2.955 3.083 . 0 0 "[ . 1 . 2 ]" 1
840 1 53 LEU HB3 1 53 LEU MD1 3.340 . 3.800 2.151 2.067 2.323 . 0 0 "[ . 1 . 2 ]" 1
841 1 53 LEU MD1 1 53 LEU MD2 2.580 . 2.800 2.022 1.916 2.089 . 0 0 "[ . 1 . 2 ]" 1
842 1 53 LEU MD1 1 61 LEU MD1 2.890 . 3.800 1.751 1.728 1.803 0.072 7 0 "[ . 1 . 2 ]" 1
843 1 53 LEU MD1 1 57 LYS QG 4.270 . 5.000 2.240 1.784 3.609 0.016 17 0 "[ . 1 . 2 ]" 1
844 1 53 LEU MD1 1 57 LYS QB 4.060 . 5.000 2.747 2.508 3.124 . 0 0 "[ . 1 . 2 ]" 1
845 1 53 LEU MD1 1 58 ARG QG 3.700 . 3.800 3.205 2.801 3.491 . 0 0 "[ . 1 . 2 ]" 1
846 1 53 LEU MD1 1 58 ARG HD3 4.250 . 5.000 5.028 4.939 5.069 0.069 16 0 "[ . 1 . 2 ]" 1
847 1 53 LEU MD1 1 54 ALA H 3.830 . 5.000 3.526 3.456 3.662 . 0 0 "[ . 1 . 2 ]" 1
848 1 53 LEU HB2 1 53 LEU MD1 3.300 . 3.800 2.465 2.327 2.528 . 0 0 "[ . 1 . 2 ]" 1
849 1 53 LEU HB2 1 58 ARG QG 4.050 . 5.000 2.311 2.023 2.470 . 0 0 "[ . 1 . 2 ]" 1
850 1 53 LEU MD2 1 57 LYS QB 4.090 . 5.000 3.697 3.569 3.899 . 0 0 "[ . 1 . 2 ]" 1
851 1 54 ALA H 1 57 LYS QB 4.140 . 5.000 1.883 1.825 1.994 . 0 0 "[ . 1 . 2 ]" 1
852 1 55 LEU MD1 1 59 ASN QD . . 3.800 3.819 3.776 3.846 0.046 15 0 "[ . 1 . 2 ]" 1
853 1 55 LEU H 1 55 LEU QD 3.440 . 3.800 3.705 3.674 3.764 . 0 0 "[ . 1 . 2 ]" 1
854 1 55 LEU MD2 1 59 ASN QD 3.430 . 3.800 2.807 2.303 3.024 . 0 0 "[ . 1 . 2 ]" 1
855 1 55 LEU HG 1 59 ASN QD 3.830 . 5.000 2.646 2.599 2.702 . 0 0 "[ . 1 . 2 ]" 1
856 1 55 LEU MD2 1 56 TRP H 3.760 . 3.800 3.839 3.816 3.871 0.071 14 0 "[ . 1 . 2 ]" 1
857 1 55 LEU HB3 1 59 ASN QD 4.170 . 5.000 4.473 4.283 4.593 . 0 0 "[ . 1 . 2 ]" 1
858 1 55 LEU HA 1 55 LEU MD1 2.880 . 3.800 3.159 3.063 3.442 . 0 0 "[ . 1 . 2 ]" 1
859 1 55 LEU HB2 1 55 LEU MD2 2.810 . 3.800 3.008 2.972 3.101 . 0 0 "[ . 1 . 2 ]" 1
860 1 55 LEU MD1 1 58 ARG QD 4.410 . 5.000 5.021 4.987 5.052 0.052 3 0 "[ . 1 . 2 ]" 1
861 1 56 TRP HA 1 59 ASN QD 3.530 . 3.800 3.800 3.723 3.825 0.025 6 0 "[ . 1 . 2 ]" 1
862 1 56 TRP HE3 1 60 GLU QB 3.890 . 5.000 3.602 3.325 3.988 . 0 0 "[ . 1 . 2 ]" 1
863 1 56 TRP HE3 1 57 LYS HA 3.560 . 3.800 2.374 2.325 2.471 . 0 0 "[ . 1 . 2 ]" 1
864 1 56 TRP HE3 1 60 GLU QG 3.980 . 5.000 4.110 2.856 4.929 . 0 0 "[ . 1 . 2 ]" 1
865 1 56 TRP HH2 1 57 LYS QD 4.120 . 5.000 3.009 1.990 4.800 . 0 0 "[ . 1 . 2 ]" 1
866 1 56 TRP HZ3 1 57 LYS QD 4.430 . 5.000 3.150 1.844 4.239 . 0 0 "[ . 1 . 2 ]" 1
867 1 56 TRP HZ3 1 57 LYS QB 4.480 . 5.000 3.156 2.856 3.471 . 0 0 "[ . 1 . 2 ]" 1
868 1 56 TRP HH2 1 57 LYS QB 4.480 . 5.000 3.307 3.050 3.632 . 0 0 "[ . 1 . 2 ]" 1
869 1 57 LYS H 1 57 LYS QB 3.150 . 3.800 2.191 2.114 2.281 . 0 0 "[ . 1 . 2 ]" 1
870 1 57 LYS QB 1 58 ARG H 3.740 . 3.800 2.121 2.036 2.303 . 0 0 "[ . 1 . 2 ]" 1
871 1 57 LYS HA 1 60 GLU QB 3.310 . 3.800 2.868 2.582 3.828 0.028 15 0 "[ . 1 . 2 ]" 1
872 1 57 LYS HA 1 57 LYS QD 3.730 . 3.800 3.142 1.920 3.858 0.058 7 0 "[ . 1 . 2 ]" 1
873 1 57 LYS QE 1 61 LEU MD2 3.780 . 3.800 2.937 1.938 3.758 . 0 0 "[ . 1 . 2 ]" 1
874 1 57 LYS H 1 57 LYS QG 3.990 . 5.000 3.903 3.716 4.063 . 0 0 "[ . 1 . 2 ]" 1
875 1 57 LYS H 1 58 ARG QG 4.000 . 5.000 4.321 4.209 4.392 . 0 0 "[ . 1 . 2 ]" 1
876 1 57 LYS QG 1 61 LEU MD1 3.400 . 3.800 2.645 1.891 3.679 . 0 0 "[ . 1 . 2 ]" 1
877 1 58 ARG H 1 58 ARG QG . . 3.800 2.097 1.992 2.225 . 0 0 "[ . 1 . 2 ]" 1
878 1 58 ARG QG 1 59 ASN QD 4.030 . 5.000 4.943 4.554 5.027 0.027 15 0 "[ . 1 . 2 ]" 1
879 1 58 ARG HA 1 58 ARG QG 3.580 . 3.800 2.388 2.336 2.442 . 0 0 "[ . 1 . 2 ]" 1
880 1 58 ARG QG 1 59 ASN H 3.750 . 3.800 3.971 3.868 4.008 0.208 15 0 "[ . 1 . 2 ]" 1
881 1 58 ARG HA 1 61 LEU MD1 3.960 . 5.000 1.790 1.737 1.836 0.063 12 0 "[ . 1 . 2 ]" 1
882 1 59 ASN H 1 59 ASN QD 4.000 . 5.000 2.460 2.320 2.569 . 0 0 "[ . 1 . 2 ]" 1
883 1 59 ASN QD 1 68 PHE QE 3.810 . 5.000 3.508 2.767 4.136 . 0 0 "[ . 1 . 2 ]" 1
884 1 60 GLU HA 1 60 GLU QG 3.500 . 3.800 2.429 2.125 3.344 . 0 0 "[ . 1 . 2 ]" 1
885 1 60 GLU H 1 60 GLU QG 3.940 . 5.000 3.081 2.047 4.046 . 0 0 "[ . 1 . 2 ]" 1
886 1 60 GLU QB 1 61 LEU H 3.640 . 3.800 2.705 2.532 3.514 . 0 0 "[ . 1 . 2 ]" 1
887 1 60 GLU HA 1 63 LYS QD 3.940 . 5.000 3.083 2.140 4.707 . 0 0 "[ . 1 . 2 ]" 1
888 1 60 GLU H 1 60 GLU QB 2.850 . 3.800 2.228 2.057 2.518 . 0 0 "[ . 1 . 2 ]" 1
889 1 61 LEU HB2 1 61 LEU MD2 3.150 . 3.800 3.126 3.097 3.153 . 0 0 "[ . 1 . 2 ]" 1
890 1 61 LEU HA 1 61 LEU MD1 3.770 . 3.800 3.933 3.917 3.942 0.142 10 0 "[ . 1 . 2 ]" 1
891 1 61 LEU MD1 1 62 LYS HB2 4.390 . 5.000 5.007 4.874 5.053 0.053 17 0 "[ . 1 . 2 ]" 1
892 1 61 LEU H 1 61 LEU MD2 3.360 . 3.800 3.463 3.401 3.512 . 0 0 "[ . 1 . 2 ]" 1
893 1 61 LEU MD1 1 62 LYS H 4.130 . 5.000 3.580 3.490 3.742 . 0 0 "[ . 1 . 2 ]" 1
894 1 61 LEU MD2 1 62 LYS H 4.040 . 5.000 4.555 4.529 4.584 . 0 0 "[ . 1 . 2 ]" 1
895 1 61 LEU MD1 1 61 LEU MD2 2.590 . 2.800 2.002 1.896 2.075 . 0 0 "[ . 1 . 2 ]" 1
896 1 61 LEU HA 1 61 LEU MD2 2.770 . 2.800 2.510 2.333 2.665 . 0 0 "[ . 1 . 2 ]" 1
897 1 61 LEU H 1 61 LEU MD1 3.520 . 3.800 3.140 3.018 3.262 . 0 0 "[ . 1 . 2 ]" 1
898 1 62 LYS HA 1 65 ALA MB 3.340 . 3.800 2.308 2.194 2.681 . 0 0 "[ . 1 . 2 ]" 1
899 1 62 LYS H 1 63 LYS QG 4.280 . 5.000 4.424 4.303 4.553 . 0 0 "[ . 1 . 2 ]" 1
900 1 62 LYS HA 1 62 LYS QG 3.560 . 3.800 2.323 2.251 2.977 . 0 0 "[ . 1 . 2 ]" 1
901 1 62 LYS H 1 62 LYS QG . . 3.800 2.837 2.779 3.025 . 0 0 "[ . 1 . 2 ]" 1
902 1 62 LYS QG 1 68 PHE H 4.330 . 5.000 4.994 4.947 5.184 0.184 10 0 "[ . 1 . 2 ]" 1
903 1 62 LYS HA 1 63 LYS QG 4.060 . 5.000 5.104 5.052 5.169 0.169 6 0 "[ . 1 . 2 ]" 1
904 1 62 LYS H 1 62 LYS QD 3.740 . 3.800 3.534 3.110 3.807 0.007 5 0 "[ . 1 . 2 ]" 1
905 1 63 LYS QE 1 68 PHE QD 4.170 . 5.000 3.673 2.335 4.559 . 0 0 "[ . 1 . 2 ]" 1
906 1 63 LYS QG 1 68 PHE HB2 4.290 . 5.000 2.212 1.996 2.651 . 0 0 "[ . 1 . 2 ]" 1
907 1 63 LYS H 1 68 PHE QD 4.210 . 5.000 4.384 3.959 4.541 . 0 0 "[ . 1 . 2 ]" 1
908 1 63 LYS H 1 63 LYS QG . . 3.800 2.706 2.650 2.791 . 0 0 "[ . 1 . 2 ]" 1
909 1 63 LYS QE 1 68 PHE HZ 4.190 . 5.000 3.636 2.624 4.792 . 0 0 "[ . 1 . 2 ]" 1
910 1 63 LYS HA 1 63 LYS QG 3.500 . 3.800 2.348 2.206 2.448 . 0 0 "[ . 1 . 2 ]" 1
911 1 63 LYS HA 1 63 LYS QD 4.230 . 5.000 3.710 2.436 4.120 . 0 0 "[ . 1 . 2 ]" 1
912 1 63 LYS H 1 63 LYS QD 4.010 . 5.000 3.984 3.647 4.585 . 0 0 "[ . 1 . 2 ]" 1
913 1 63 LYS QG 1 68 PHE QD 4.120 . 5.000 2.414 2.313 2.618 . 0 0 "[ . 1 . 2 ]" 1
914 1 64 LYS H 1 64 LYS QG 3.800 . 5.000 3.434 1.953 4.105 . 0 0 "[ . 1 . 2 ]" 1
915 1 64 LYS QB 1 65 ALA MB 3.810 . 5.000 4.196 3.820 4.639 . 0 0 "[ . 1 . 2 ]" 1
916 1 64 LYS QB 1 65 ALA H 3.740 . 3.800 3.169 2.711 3.678 . 0 0 "[ . 1 . 2 ]" 1
917 1 64 LYS H 1 64 LYS QD 4.290 . 5.000 4.139 3.821 4.726 . 0 0 "[ . 1 . 2 ]" 1
918 1 64 LYS H 1 64 LYS QB 2.890 . 3.800 2.427 2.263 2.759 . 0 0 "[ . 1 . 2 ]" 1
919 1 64 LYS HA 1 64 LYS QG . . 3.800 2.804 2.368 3.442 . 0 0 "[ . 1 . 2 ]" 1
920 1 64 LYS HA 1 64 LYS QD 3.870 . 5.000 3.965 3.345 4.270 . 0 0 "[ . 1 . 2 ]" 1
921 1 65 ALA H 1 65 ALA MB 3.310 . 3.800 2.078 2.035 2.098 . 0 0 "[ . 1 . 2 ]" 1
922 1 65 ALA MB 1 67 LEU MD1 3.090 . 3.800 1.856 1.788 1.963 0.012 1 0 "[ . 1 . 2 ]" 1
923 1 65 ALA MB 1 67 LEU H 4.040 . 5.000 2.950 2.834 3.248 . 0 0 "[ . 1 . 2 ]" 1
924 1 65 ALA MB 1 67 LEU HG 3.670 . 3.800 2.298 2.038 2.667 . 0 0 "[ . 1 . 2 ]" 1
925 1 66 GLU H 1 66 GLU QG 3.930 . 5.000 2.958 2.706 3.928 . 0 0 "[ . 1 . 2 ]" 1
926 1 66 GLU H 1 68 PHE H 4.240 . 5.000 4.990 4.853 5.028 0.028 18 0 "[ . 1 . 2 ]" 1
927 1 66 GLU QG 1 67 LEU H 4.440 . 5.000 4.470 4.271 4.829 . 0 0 "[ . 1 . 2 ]" 1
928 1 66 GLU HA 1 66 GLU QG 3.570 . 3.800 2.595 2.127 3.135 . 0 0 "[ . 1 . 2 ]" 1
929 1 67 LEU HB3 1 67 LEU MD1 3.230 . 3.800 2.999 2.920 3.065 . 0 0 "[ . 1 . 2 ]" 1
930 1 67 LEU H 1 67 LEU MD2 4.340 . 5.000 3.777 3.546 4.075 . 0 0 "[ . 1 . 2 ]" 1
931 1 67 LEU H 1 67 LEU MD1 4.050 . 5.000 3.058 2.819 3.307 . 0 0 "[ . 1 . 2 ]" 1
932 1 68 PHE H 1 68 PHE QD 4.260 . 5.000 3.765 3.462 4.232 . 0 0 "[ . 1 . 2 ]" 1
933 1 68 PHE HA 1 68 PHE QD 3.340 . 3.800 3.111 2.906 3.303 . 0 0 "[ . 1 . 2 ]" 1
934 1 68 PHE HB3 1 68 PHE QD 3.290 . 3.800 2.385 2.332 2.471 . 0 0 "[ . 1 . 2 ]" 1
935 1 68 PHE HB2 1 68 PHE QD 3.210 . 3.800 2.389 2.312 2.452 . 0 0 "[ . 1 . 2 ]" 1
936 1 68 PHE HB2 1 68 PHE QE 4.230 . 5.000 4.402 4.379 4.420 . 0 0 "[ . 1 . 2 ]" 1
937 1 1 PRO HA 1 1 PRO QG 3.100 . 3.800 3.260 3.092 3.425 . 0 0 "[ . 1 . 2 ]" 1
938 1 3 LEU MD1 1 32 ARG QB 3.840 . 5.000 3.370 2.745 4.097 . 0 0 "[ . 1 . 2 ]" 1
939 1 5 ILE MG 1 33 HIS HA 3.500 . 3.800 3.843 3.804 3.870 0.070 5 0 "[ . 1 . 2 ]" 1
940 1 5 ILE MD 1 33 HIS HA 3.300 . 3.800 3.124 2.510 3.832 0.032 20 0 "[ . 1 . 2 ]" 1
941 1 5 ILE MD 1 35 SER QB 3.620 . 3.800 3.732 3.260 3.849 0.049 5 0 "[ . 1 . 2 ]" 1
942 1 5 ILE MG 1 34 LEU HA 3.530 . 3.800 2.853 2.716 2.940 . 0 0 "[ . 1 . 2 ]" 1
943 1 5 ILE HA 1 5 ILE MD 3.030 . 3.800 2.727 2.306 3.722 . 0 0 "[ . 1 . 2 ]" 1
944 1 5 ILE HA 1 5 ILE MG 2.940 . 3.800 2.262 2.083 2.426 . 0 0 "[ . 1 . 2 ]" 1
945 1 6 TYR HA 1 7 PRO QD 3.010 . 3.800 2.232 2.124 2.380 . 0 0 "[ . 1 . 2 ]" 1
946 1 7 PRO HA 1 11 LEU MD1 4.170 . 5.000 4.359 4.115 5.012 0.012 12 0 "[ . 1 . 2 ]" 1
947 1 7 PRO HA 1 7 PRO QG 3.460 . 3.800 3.005 2.803 3.468 . 0 0 "[ . 1 . 2 ]" 1
948 1 11 LEU MD1 1 34 LEU HA 3.670 . 3.800 2.566 2.037 2.889 . 0 0 "[ . 1 . 2 ]" 1
949 1 13 VAL MG2 1 67 LEU HA 3.200 . 3.800 1.810 1.762 1.934 0.038 17 0 "[ . 1 . 2 ]" 1
950 1 13 VAL MG1 1 14 THR HA 3.470 . 3.800 3.595 3.371 3.696 . 0 0 "[ . 1 . 2 ]" 1
951 1 14 THR MG 1 15 ASN HA 3.670 . 3.800 3.220 2.828 3.542 . 0 0 "[ . 1 . 2 ]" 1
952 1 16 LYS HA 1 16 LYS QD 3.630 . 3.800 2.633 1.894 3.839 0.039 21 0 "[ . 1 . 2 ]" 1
953 1 18 ARG HA 1 18 ARG QD 3.300 . 3.800 3.664 3.256 4.014 0.214 19 0 "[ . 1 . 2 ]" 1
954 1 22 PRO HA 1 23 PRO QD 3.070 . 3.800 2.287 2.047 2.505 . 0 0 "[ . 1 . 2 ]" 1
955 1 22 PRO HA 1 22 PRO QG 3.670 . 3.800 3.086 2.779 3.505 . 0 0 "[ . 1 . 2 ]" 1
956 1 29 ARG HA 1 29 ARG QG 3.110 . 3.800 3.386 3.344 3.471 . 0 0 "[ . 1 . 2 ]" 1
957 1 29 ARG HA 1 29 ARG QD 3.260 . 3.800 3.617 3.278 3.817 0.017 17 0 "[ . 1 . 2 ]" 1
958 1 29 ARG HA 1 32 ARG QG 3.850 . 5.000 4.989 4.775 5.092 0.092 17 0 "[ . 1 . 2 ]" 1
959 1 31 GLU HB2 1 39 PHE QD 3.610 . 3.800 3.826 3.793 3.860 0.060 15 0 "[ . 1 . 2 ]" 1
960 1 34 LEU MD2 1 39 PHE QD 3.670 . 3.800 3.900 3.860 3.937 0.137 6 0 "[ . 1 . 2 ]" 1
961 1 34 LEU MD2 1 38 ASP HA 3.700 . 3.800 3.835 3.794 3.857 0.057 10 0 "[ . 1 . 2 ]" 1
962 1 34 LEU HA 1 34 LEU MD1 3.520 . 3.800 3.798 3.716 3.835 0.035 7 0 "[ . 1 . 2 ]" 1
963 1 34 LEU MD2 1 38 ASP HB2 3.550 . 3.800 2.671 2.289 3.073 . 0 0 "[ . 1 . 2 ]" 1
964 1 34 LEU HA 1 34 LEU MD2 2.910 . 3.800 2.687 2.494 3.035 . 0 0 "[ . 1 . 2 ]" 1
965 1 37 GLU QG 1 38 ASP HA 3.820 . 5.000 4.690 4.128 5.105 0.105 3 0 "[ . 1 . 2 ]" 1
966 1 38 ASP HA 1 42 VAL MG2 3.720 . 3.800 3.248 3.100 3.416 . 0 0 "[ . 1 . 2 ]" 1
967 1 38 ASP HA 1 41 ARG QG 3.760 . 3.800 3.577 1.955 3.857 0.057 12 0 "[ . 1 . 2 ]" 1
968 1 39 PHE QD 1 46 SER HA 3.540 . 3.800 3.383 3.168 3.479 . 0 0 "[ . 1 . 2 ]" 1
969 1 39 PHE QD 1 47 PRO QG 3.730 . 3.800 3.023 2.652 3.866 0.066 12 0 "[ . 1 . 2 ]" 1
970 1 43 PHE QE 1 62 LYS HA 3.230 . 3.800 2.415 2.123 2.869 . 0 0 "[ . 1 . 2 ]" 1
971 1 43 PHE HB3 1 50 PHE QE 3.650 . 3.800 3.811 3.630 3.875 0.075 20 0 "[ . 1 . 2 ]" 1
972 1 46 SER QB 1 48 GLU QG 3.510 . 3.800 2.705 1.905 3.844 0.044 5 0 "[ . 1 . 2 ]" 1
973 1 46 SER QB 1 49 GLU HB3 3.540 . 3.800 3.914 3.886 3.950 0.150 20 0 "[ . 1 . 2 ]" 1
974 1 48 GLU QG 1 49 GLU HA 3.470 . 3.800 3.321 2.990 3.676 . 0 0 "[ . 1 . 2 ]" 1
975 1 63 LYS HA 1 68 PHE QD 3.570 . 3.800 3.439 3.284 3.769 . 0 0 "[ . 1 . 2 ]" 1
976 1 67 LEU HA 1 67 LEU MD2 2.960 . 3.800 3.644 3.549 3.726 . 0 0 "[ . 1 . 2 ]" 1
977 1 67 LEU HA 1 67 LEU MD1 3.980 . 5.000 3.985 3.921 4.048 . 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 18
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 36.331
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0160
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0384
_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 35 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 GLU 0.009 0.009 3 0 "[ . 1 . 2 ]"
1 38 ASP 0.006 0.006 20 0 "[ . 1 . 2 ]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 ARG 0.009 0.009 3 0 "[ . 1 . 2 ]"
1 42 VAL 0.006 0.006 20 0 "[ . 1 . 2 ]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 SER 0.379 0.101 15 0 "[ . 1 . 2 ]"
1 49 GLU 1.262 0.089 9 0 "[ . 1 . 2 ]"
1 50 PHE 0.379 0.101 15 0 "[ . 1 . 2 ]"
1 53 LEU 1.262 0.089 9 0 "[ . 1 . 2 ]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 ASN 0.073 0.023 17 0 "[ . 1 . 2 ]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 LYS 0.073 0.023 17 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 59 ASN O 1 63 LYS H 2.300 . 2.300 1.753 1.714 1.791 . 0 0 "[ . 1 . 2 ]" 2
2 1 59 ASN O 1 63 LYS N 3.300 2.500 3.300 2.520 2.477 2.572 0.023 17 0 "[ . 1 . 2 ]" 2
3 1 38 ASP O 1 42 VAL H 2.300 . 2.300 1.943 1.697 2.306 0.006 20 0 "[ . 1 . 2 ]" 2
4 1 38 ASP O 1 42 VAL N 3.300 2.500 3.300 2.788 2.601 3.044 . 0 0 "[ . 1 . 2 ]" 2
5 1 58 ARG O 1 62 LYS H 2.300 . 2.300 1.967 1.789 2.158 . 0 0 "[ . 1 . 2 ]" 2
6 1 58 ARG O 1 62 LYS N 3.300 2.500 3.300 2.939 2.755 3.137 . 0 0 "[ . 1 . 2 ]" 2
7 1 57 LYS O 1 61 LEU H 2.300 . 2.300 1.895 1.723 2.096 . 0 0 "[ . 1 . 2 ]" 2
8 1 57 LYS O 1 61 LEU N 3.300 2.500 3.300 2.847 2.671 3.029 . 0 0 "[ . 1 . 2 ]" 2
9 1 35 SER O 1 39 PHE H 2.300 . 2.300 1.671 1.618 1.743 . 0 0 "[ . 1 . 2 ]" 2
10 1 35 SER O 1 39 PHE N 3.300 2.500 3.300 2.635 2.580 2.713 . 0 0 "[ . 1 . 2 ]" 2
11 1 37 GLU O 1 41 ARG H 2.300 . 2.300 2.160 2.012 2.309 0.009 3 0 "[ . 1 . 2 ]" 2
12 1 37 GLU O 1 41 ARG N 3.300 2.500 3.300 2.758 2.597 2.953 . 0 0 "[ . 1 . 2 ]" 2
13 1 39 PHE O 1 43 PHE H 2.300 . 2.300 1.740 1.643 1.820 . 0 0 "[ . 1 . 2 ]" 2
14 1 39 PHE O 1 43 PHE N 3.300 2.500 3.300 2.688 2.585 2.746 . 0 0 "[ . 1 . 2 ]" 2
15 1 46 SER O 1 50 PHE H 2.300 . 2.300 2.312 2.249 2.401 0.101 15 0 "[ . 1 . 2 ]" 2
16 1 46 SER O 1 50 PHE N 3.300 2.500 3.300 3.219 3.170 3.301 0.001 15 0 "[ . 1 . 2 ]" 2
17 1 49 GLU O 1 53 LEU H 2.300 . 2.300 2.360 2.344 2.389 0.089 9 0 "[ . 1 . 2 ]" 2
18 1 49 GLU O 1 53 LEU N 3.300 2.500 3.300 2.730 2.695 2.813 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
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