NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
469386 |
1afj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1afj
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 783
_Distance_constraint_stats_list.Viol_count 1791
_Distance_constraint_stats_list.Viol_total 2895.226
_Distance_constraint_stats_list.Viol_max 0.371
_Distance_constraint_stats_list.Viol_rms 0.0328
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0808
_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 ALA 0.140 0.047 13 0 "[ . 1 . 2]"
1 2 THR 9.763 0.281 2 0 "[ . 1 . 2]"
1 3 GLN 8.314 0.226 3 0 "[ . 1 . 2]"
1 4 THR 1.241 0.231 6 0 "[ . 1 . 2]"
1 5 VAL 5.696 0.318 4 0 "[ . 1 . 2]"
1 6 THR 5.243 0.184 4 0 "[ . 1 . 2]"
1 7 LEU 7.502 0.201 13 0 "[ . 1 . 2]"
1 8 ALA 0.581 0.081 6 0 "[ . 1 . 2]"
1 9 VAL 2.596 0.110 5 0 "[ . 1 . 2]"
1 11 GLY 0.868 0.110 13 0 "[ . 1 . 2]"
1 12 MET 2.305 0.184 16 0 "[ . 1 . 2]"
1 13 THR 0.552 0.097 12 0 "[ . 1 . 2]"
1 14 CYS 2.665 0.224 17 0 "[ . 1 . 2]"
1 16 ALA 0.087 0.052 8 0 "[ . 1 . 2]"
1 17 CYS 1.543 0.136 14 0 "[ . 1 . 2]"
1 19 ILE 9.863 0.371 18 0 "[ . 1 . 2]"
1 20 THR 8.206 0.187 4 0 "[ . 1 . 2]"
1 21 VAL 6.844 0.218 15 0 "[ . 1 . 2]"
1 22 LYS 7.993 0.218 15 0 "[ . 1 . 2]"
1 23 LYS 7.182 0.214 10 0 "[ . 1 . 2]"
1 24 ALA 6.271 0.210 5 0 "[ . 1 . 2]"
1 25 LEU 0.420 0.044 4 0 "[ . 1 . 2]"
1 26 SER 4.276 0.262 15 0 "[ . 1 . 2]"
1 27 LYS 4.927 0.262 15 0 "[ . 1 . 2]"
1 28 VAL 2.931 0.197 9 0 "[ . 1 . 2]"
1 29 GLU 2.970 0.197 9 0 "[ . 1 . 2]"
1 30 GLY 2.497 0.154 12 0 "[ . 1 . 2]"
1 31 VAL 4.944 0.216 8 0 "[ . 1 . 2]"
1 32 SER 2.841 0.123 20 0 "[ . 1 . 2]"
1 33 LYS 7.061 0.216 8 0 "[ . 1 . 2]"
1 34 VAL 1.298 0.125 16 0 "[ . 1 . 2]"
1 35 ASP 1.706 0.100 15 0 "[ . 1 . 2]"
1 36 VAL 1.047 0.142 5 0 "[ . 1 . 2]"
1 37 GLY 1.372 0.142 5 0 "[ . 1 . 2]"
1 38 PHE 3.553 0.281 19 0 "[ . 1 . 2]"
1 39 GLU 3.440 0.371 18 0 "[ . 1 . 2]"
1 40 LYS 0.283 0.137 17 0 "[ . 1 . 2]"
1 41 ARG 0.618 0.137 17 0 "[ . 1 . 2]"
1 42 GLU 1.808 0.110 5 0 "[ . 1 . 2]"
1 43 ALA 2.665 0.169 11 0 "[ . 1 . 2]"
1 44 VAL 2.916 0.125 12 0 "[ . 1 . 2]"
1 45 VAL 4.604 0.168 12 0 "[ . 1 . 2]"
1 46 THR 3.677 0.125 16 0 "[ . 1 . 2]"
1 47 PHE 8.995 0.216 11 0 "[ . 1 . 2]"
1 48 ASP 0.055 0.042 20 0 "[ . 1 . 2]"
1 49 ASP 2.189 0.138 18 0 "[ . 1 . 2]"
1 50 THR 0.094 0.022 5 0 "[ . 1 . 2]"
1 51 LYS 2.116 0.218 14 0 "[ . 1 . 2]"
1 52 ALA 3.484 0.218 14 0 "[ . 1 . 2]"
1 53 SER 1.603 0.076 16 0 "[ . 1 . 2]"
1 54 VAL 9.400 0.199 15 0 "[ . 1 . 2]"
1 55 GLN 1.483 0.150 17 0 "[ . 1 . 2]"
1 56 LYS 1.483 0.082 12 0 "[ . 1 . 2]"
1 57 LEU 6.143 0.176 6 0 "[ . 1 . 2]"
1 58 THR 2.639 0.113 8 0 "[ . 1 . 2]"
1 59 LYS 2.147 0.098 19 0 "[ . 1 . 2]"
1 60 ALA 3.510 0.147 17 0 "[ . 1 . 2]"
1 61 THR 9.928 0.163 19 0 "[ . 1 . 2]"
1 62 ALA 4.410 0.113 14 0 "[ . 1 . 2]"
1 63 ASP 4.028 0.147 17 0 "[ . 1 . 2]"
1 64 ALA 6.121 0.163 19 0 "[ . 1 . 2]"
1 65 GLY 4.326 0.152 13 0 "[ . 1 . 2]"
1 66 TYR 11.010 0.184 16 0 "[ . 1 . 2]"
1 68 SER 2.622 0.161 19 0 "[ . 1 . 2]"
1 69 SER 3.926 0.194 10 0 "[ . 1 . 2]"
1 70 VAL 7.621 0.222 19 0 "[ . 1 . 2]"
1 71 LYS 11.036 0.318 4 0 "[ . 1 . 2]"
1 72 GLN 1.221 0.125 14 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 2 THR HA 1 48 ASP HA 2.470 . 2.700 2.083 1.858 2.544 0.042 20 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 2 THR H 2.310 . 2.700 2.552 2.258 2.747 0.047 13 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 2 THR H 2.870 . 4.300 3.478 2.206 3.718 . 0 0 "[ . 1 . 2]" 1
4 1 2 THR H 1 2 THR HA 2.760 . 3.300 2.919 2.796 2.952 . 0 0 "[ . 1 . 2]" 1
5 1 2 THR H 1 2 THR HB 2.940 . 3.300 3.509 3.435 3.581 0.281 2 0 "[ . 1 . 2]" 1
6 1 2 THR H 1 2 THR MG 2.790 . 4.300 3.439 2.055 3.695 . 0 0 "[ . 1 . 2]" 1
7 1 2 THR H 1 3 GLN QG 3.890 . 6.000 3.039 2.404 4.383 . 0 0 "[ . 1 . 2]" 1
8 1 2 THR H 1 3 GLN H 3.000 . 3.300 3.460 3.424 3.526 0.226 3 0 "[ . 1 . 2]" 1
9 1 2 THR HA 1 3 GLN H 2.370 . 2.700 2.319 2.113 2.383 . 0 0 "[ . 1 . 2]" 1
10 1 2 THR HB 1 3 GLN H 2.770 . 5.000 4.165 4.078 4.400 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN H 1 3 GLN HA 2.960 . 3.300 3.000 2.992 3.008 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLN H 1 3 GLN QB 2.710 . 3.900 2.742 2.534 3.116 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLN H 1 3 GLN QG 3.060 . 4.300 2.125 1.812 2.343 0.088 2 0 "[ . 1 . 2]" 1
14 1 3 GLN H 1 46 THR HA 3.540 . 5.000 5.078 4.981 5.124 0.124 7 0 "[ . 1 . 2]" 1
15 1 3 GLN H 1 46 THR MG 3.310 . 6.000 4.284 4.013 4.531 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLN H 1 47 PHE HA 4.420 . 5.000 5.164 5.110 5.216 0.216 11 0 "[ . 1 . 2]" 1
17 1 3 GLN H 1 47 PHE QD 4.150 . 5.000 3.772 3.520 3.986 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLN H 1 47 PHE H 2.930 . 3.300 3.299 3.248 3.325 0.025 7 0 "[ . 1 . 2]" 1
19 1 3 GLN H 1 49 ASP QB 4.200 . 6.000 3.583 3.298 3.939 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLN H 1 49 ASP H 3.810 . 5.000 3.228 2.880 3.614 . 0 0 "[ . 1 . 2]" 1
21 1 4 THR HA 1 46 THR HA 2.040 . 2.700 1.958 1.885 2.064 0.015 16 0 "[ . 1 . 2]" 1
22 1 4 THR HA 1 46 THR MG 2.580 . 5.300 3.898 3.602 4.086 . 0 0 "[ . 1 . 2]" 1
23 1 4 THR HA 1 47 PHE QD 3.180 . 3.300 3.246 2.892 3.342 0.042 10 0 "[ . 1 . 2]" 1
24 1 4 THR HA 1 47 PHE QE 3.310 . 5.000 3.307 2.879 3.544 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLN HA 1 4 THR H 2.440 . 2.700 2.343 2.213 2.652 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLN QB 1 4 THR H 3.150 . 4.300 2.703 2.148 3.034 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLN QG 1 4 THR H 3.360 . 6.000 4.306 3.223 4.708 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLN H 1 4 THR H 3.710 . 5.000 4.545 4.444 4.585 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR H 1 4 THR HB 2.910 . 3.300 2.875 2.539 3.531 0.231 6 0 "[ . 1 . 2]" 1
30 1 4 THR H 1 4 THR MG 3.340 . 6.000 3.379 1.800 3.970 0.100 12 0 "[ . 1 . 2]" 1
31 1 4 THR H 1 5 VAL H 3.930 . 5.000 4.335 4.115 4.507 . 0 0 "[ . 1 . 2]" 1
32 1 4 THR HA 1 5 VAL H 2.300 . 2.700 2.252 2.184 2.390 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR HB 1 5 VAL H 3.470 . 5.000 4.032 3.569 4.336 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL H 1 5 VAL HA 2.900 . 3.300 2.994 2.918 3.011 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL H 1 5 VAL HB 3.250 . 5.000 3.707 2.784 3.871 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL H 1 5 VAL QG 2.460 . 4.400 2.038 1.795 2.491 0.105 20 0 "[ . 1 . 2]" 1
37 1 5 VAL H 1 6 THR HA 4.120 . 5.000 4.793 4.628 4.942 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL H 1 6 THR H 3.840 . 5.000 4.434 4.342 4.487 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL H 1 44 VAL QG 3.480 . 7.400 4.171 3.588 4.404 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL H 1 45 VAL HB 3.400 . 5.000 4.636 4.095 5.146 0.146 13 0 "[ . 1 . 2]" 1
41 1 5 VAL H 1 45 VAL H 3.010 . 3.300 3.153 2.862 3.325 0.025 14 0 "[ . 1 . 2]" 1
42 1 5 VAL H 1 47 PHE QD 3.800 . 5.000 3.988 3.725 4.473 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL H 1 47 PHE QE 3.530 . 5.000 3.476 3.046 3.983 . 0 0 "[ . 1 . 2]" 1
44 1 5 VAL H 1 57 LEU QD 4.500 . 6.000 3.281 2.991 3.706 . 0 0 "[ . 1 . 2]" 1
45 1 6 THR HA 1 44 VAL HA 2.380 . 2.700 1.890 1.827 2.106 0.073 15 0 "[ . 1 . 2]" 1
46 1 5 VAL HA 1 6 THR H 2.360 . 2.700 2.445 2.374 2.524 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL HB 1 6 THR H 2.900 . 3.300 2.615 2.335 3.484 0.184 4 0 "[ . 1 . 2]" 1
48 1 6 THR H 1 6 THR HB 2.750 . 3.300 2.922 2.236 3.432 0.132 8 0 "[ . 1 . 2]" 1
49 1 6 THR H 1 6 THR MG 2.650 . 3.700 2.374 1.902 3.112 . 0 0 "[ . 1 . 2]" 1
50 1 6 THR H 1 7 LEU MD1 4.210 . 6.000 3.702 3.624 3.781 . 0 0 "[ . 1 . 2]" 1
51 1 6 THR H 1 7 LEU H 4.120 . 5.000 4.532 4.517 4.549 . 0 0 "[ . 1 . 2]" 1
52 1 6 THR H 1 44 VAL QG 4.230 . 7.400 3.919 3.773 4.157 . 0 0 "[ . 1 . 2]" 1
53 1 6 THR H 1 45 VAL H 4.120 . 5.000 5.058 5.034 5.086 0.086 3 0 "[ . 1 . 2]" 1
54 1 6 THR H 1 71 LYS QB 4.180 . 6.000 4.954 3.788 5.412 . 0 0 "[ . 1 . 2]" 1
55 1 6 THR H 1 71 LYS H 3.720 . 5.000 3.191 3.013 3.394 . 0 0 "[ . 1 . 2]" 1
56 1 7 LEU HA 1 70 VAL HA 2.250 . 2.700 2.108 1.931 2.321 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU MD1 1 57 LEU QD 2.730 . 5.300 3.003 2.823 3.185 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU MD2 1 57 LEU QD 2.500 . 5.300 3.201 3.107 3.272 . 0 0 "[ . 1 . 2]" 1
59 1 6 THR HA 1 7 LEU H 2.490 . 2.700 2.421 2.350 2.479 . 0 0 "[ . 1 . 2]" 1
60 1 6 THR HB 1 7 LEU H 3.780 . 5.000 3.745 2.734 4.317 . 0 0 "[ . 1 . 2]" 1
61 1 6 THR MG 1 7 LEU H 2.780 . 4.300 3.406 2.653 3.588 . 0 0 "[ . 1 . 2]" 1
62 1 7 LEU H 1 7 LEU QB 3.060 . 3.900 2.404 2.338 2.455 . 0 0 "[ . 1 . 2]" 1
63 1 7 LEU H 1 7 LEU MD1 3.640 . 6.000 3.250 3.124 3.466 . 0 0 "[ . 1 . 2]" 1
64 1 7 LEU H 1 7 LEU MD2 3.470 . 6.000 4.334 4.228 4.455 . 0 0 "[ . 1 . 2]" 1
65 1 7 LEU H 1 7 LEU HG 3.440 . 5.000 4.674 4.640 4.705 . 0 0 "[ . 1 . 2]" 1
66 1 7 LEU H 1 42 GLU HA 3.960 . 5.000 4.096 3.858 4.398 . 0 0 "[ . 1 . 2]" 1
67 1 7 LEU H 1 42 GLU QG 4.480 . 6.000 3.592 2.888 5.228 . 0 0 "[ . 1 . 2]" 1
68 1 7 LEU H 1 43 ALA H 3.280 . 3.300 2.795 2.556 2.944 . 0 0 "[ . 1 . 2]" 1
69 1 7 LEU H 1 44 VAL HA 3.350 . 5.000 3.270 3.122 3.499 . 0 0 "[ . 1 . 2]" 1
70 1 7 LEU H 1 44 VAL HB 4.370 . 5.000 4.969 4.212 5.125 0.125 12 0 "[ . 1 . 2]" 1
71 1 7 LEU H 1 44 VAL QG 3.840 . 7.400 3.176 2.482 4.350 . 0 0 "[ . 1 . 2]" 1
72 1 7 LEU HA 1 8 ALA H 2.420 . 2.700 2.246 2.171 2.309 . 0 0 "[ . 1 . 2]" 1
73 1 7 LEU QB 1 8 ALA H 3.390 . 6.000 3.065 2.853 3.260 . 0 0 "[ . 1 . 2]" 1
74 1 7 LEU MD1 1 8 ALA H 3.190 . 4.300 3.557 3.494 3.617 . 0 0 "[ . 1 . 2]" 1
75 1 7 LEU MD2 1 8 ALA H 3.560 . 6.000 4.441 4.231 4.694 . 0 0 "[ . 1 . 2]" 1
76 1 7 LEU HG 1 8 ALA H 3.250 . 3.300 3.048 2.837 3.334 0.034 15 0 "[ . 1 . 2]" 1
77 1 7 LEU H 1 8 ALA H 3.910 . 5.000 4.443 4.389 4.466 . 0 0 "[ . 1 . 2]" 1
78 1 8 ALA H 1 8 ALA MB 2.520 . 3.300 2.310 2.160 2.478 . 0 0 "[ . 1 . 2]" 1
79 1 8 ALA H 1 68 SER HA 3.800 . 5.000 4.848 4.538 5.012 0.012 9 0 "[ . 1 . 2]" 1
80 1 8 ALA H 1 68 SER QB 3.650 . 6.000 3.706 3.039 4.457 . 0 0 "[ . 1 . 2]" 1
81 1 8 ALA H 1 69 SER H 3.030 . 3.300 2.548 2.375 2.718 . 0 0 "[ . 1 . 2]" 1
82 1 8 ALA H 1 70 VAL HA 3.200 . 3.300 3.203 2.994 3.315 0.015 12 0 "[ . 1 . 2]" 1
83 1 8 ALA H 1 70 VAL HB 4.400 . 5.000 4.917 4.640 5.076 0.076 4 0 "[ . 1 . 2]" 1
84 1 8 ALA H 1 70 VAL QG 3.500 . 7.400 4.493 4.325 4.552 . 0 0 "[ . 1 . 2]" 1
85 1 8 ALA H 1 71 LYS H 3.520 . 5.000 4.904 4.600 5.081 0.081 6 0 "[ . 1 . 2]" 1
86 1 9 VAL HA 1 68 SER HA 2.660 . 2.700 2.017 1.844 2.541 0.056 15 0 "[ . 1 . 2]" 1
87 1 9 VAL QG 1 66 TYR QD 2.740 . 7.700 3.200 2.972 3.523 . 0 0 "[ . 1 . 2]" 1
88 1 8 ALA HA 1 9 VAL H 2.350 . 2.700 2.263 2.222 2.324 . 0 0 "[ . 1 . 2]" 1
89 1 8 ALA MB 1 9 VAL H 2.890 . 4.300 3.522 3.329 3.635 . 0 0 "[ . 1 . 2]" 1
90 1 8 ALA H 1 9 VAL H 3.960 . 5.000 4.116 3.970 4.317 . 0 0 "[ . 1 . 2]" 1
91 1 9 VAL H 1 9 VAL HB 2.950 . 3.300 2.794 2.413 3.192 . 0 0 "[ . 1 . 2]" 1
92 1 9 VAL H 1 9 VAL QG 2.870 . 5.000 2.040 1.798 2.618 0.102 15 0 "[ . 1 . 2]" 1
93 1 9 VAL H 1 41 ARG QB 3.580 . 6.000 3.430 2.315 4.938 . 0 0 "[ . 1 . 2]" 1
94 1 9 VAL H 1 41 ARG QD 3.540 . 6.000 2.232 1.848 2.675 0.052 17 0 "[ . 1 . 2]" 1
95 1 9 VAL H 1 42 GLU HA 2.920 . 3.300 3.375 3.318 3.410 0.110 5 0 "[ . 1 . 2]" 1
96 1 9 VAL H 1 42 GLU QB 3.730 . 6.000 4.963 4.670 5.298 . 0 0 "[ . 1 . 2]" 1
97 1 9 VAL H 1 43 ALA MB 3.890 . 6.000 4.712 4.478 4.883 . 0 0 "[ . 1 . 2]" 1
98 1 9 VAL H 1 43 ALA H 3.750 . 5.000 4.171 4.010 4.311 . 0 0 "[ . 1 . 2]" 1
99 1 9 VAL HA 1 11 GLY H 3.540 . 5.000 3.203 3.041 3.636 . 0 0 "[ . 1 . 2]" 1
100 1 9 VAL QG 1 11 GLY H 3.410 . 7.400 2.413 2.011 3.150 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLY H 1 12 MET QG 4.590 . 6.000 4.236 2.836 5.438 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLY H 1 12 MET H . . 3.300 2.682 2.026 2.978 . 0 0 "[ . 1 . 2]" 1
103 1 11 GLY H 1 41 ARG QD 3.670 . 6.000 4.298 4.045 4.667 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLY H 1 66 TYR HD1 4.040 . 5.000 5.024 4.748 5.110 0.110 13 0 "[ . 1 . 2]" 1
105 1 12 MET HA 1 12 MET QB 2.910 . 4.300 2.288 2.174 2.514 . 0 0 "[ . 1 . 2]" 1
106 1 12 MET HA 1 12 MET QG 2.900 . 4.300 3.041 1.998 3.448 . 0 0 "[ . 1 . 2]" 1
107 1 12 MET HA 1 66 TYR HD1 2.770 . 5.000 4.726 3.953 5.184 0.184 16 0 "[ . 1 . 2]" 1
108 1 12 MET QB 1 12 MET QG 3.050 . 6.300 2.037 2.003 2.097 . 0 0 "[ . 1 . 2]" 1
109 1 12 MET QB 1 12 MET ME 2.540 . 4.700 2.458 1.757 3.576 0.143 18 0 "[ . 1 . 2]" 1
110 1 9 VAL QG 1 12 MET H 3.240 . 5.700 3.021 2.598 3.689 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLY QA 1 12 MET H 3.310 . 6.000 2.844 2.636 2.946 . 0 0 "[ . 1 . 2]" 1
112 1 12 MET H 1 12 MET QB 2.950 . 3.900 2.813 2.522 3.248 . 0 0 "[ . 1 . 2]" 1
113 1 12 MET H 1 12 MET QG 2.840 . 4.300 2.596 1.758 3.732 0.142 12 0 "[ . 1 . 2]" 1
114 1 12 MET H 1 13 THR HB 4.140 . 5.000 4.598 3.984 5.097 0.097 12 0 "[ . 1 . 2]" 1
115 1 12 MET H 1 13 THR MG 4.120 . 6.000 4.546 3.944 5.119 . 0 0 "[ . 1 . 2]" 1
116 1 12 MET H 1 13 THR H 3.980 . 5.000 4.264 1.882 4.644 0.018 11 0 "[ . 1 . 2]" 1
117 1 12 MET H 1 17 CYS QB 4.490 . 6.000 4.391 3.783 5.208 . 0 0 "[ . 1 . 2]" 1
118 1 12 MET H 1 21 VAL QG 4.220 . 7.400 4.933 4.528 5.170 . 0 0 "[ . 1 . 2]" 1
119 1 12 MET H 1 41 ARG QB 3.330 . 6.000 4.255 3.057 5.211 . 0 0 "[ . 1 . 2]" 1
120 1 12 MET H 1 41 ARG QD 3.920 . 6.000 4.749 4.037 5.223 . 0 0 "[ . 1 . 2]" 1
121 1 12 MET H 1 66 TYR HD1 4.020 . 5.000 4.526 3.504 5.094 0.094 17 0 "[ . 1 . 2]" 1
122 1 12 MET QB 1 13 THR H 3.810 . 6.000 2.591 1.846 3.975 0.054 4 0 "[ . 1 . 2]" 1
123 1 12 MET ME 1 13 THR H 3.480 . 6.000 3.394 2.028 4.949 . 0 0 "[ . 1 . 2]" 1
124 1 12 MET QG 1 13 THR H 4.270 . 6.000 4.107 3.430 4.725 . 0 0 "[ . 1 . 2]" 1
125 1 13 THR H 1 13 THR HB 3.550 . 5.000 3.466 2.332 3.644 . 0 0 "[ . 1 . 2]" 1
126 1 13 THR H 1 13 THR MG 2.820 . 4.300 2.424 1.867 3.682 0.033 5 0 "[ . 1 . 2]" 1
127 1 13 THR H 1 14 CYS H 3.440 . 5.000 2.794 1.818 4.271 0.082 14 0 "[ . 1 . 2]" 1
128 1 13 THR H 1 17 CYS QB 3.810 . 6.000 3.369 1.999 4.880 . 0 0 "[ . 1 . 2]" 1
129 1 13 THR H 1 41 ARG QB 4.690 . 6.000 5.078 4.404 5.375 . 0 0 "[ . 1 . 2]" 1
130 1 12 MET ME 1 14 CYS H 4.260 . 6.000 4.465 3.208 5.066 . 0 0 "[ . 1 . 2]" 1
131 1 13 THR HA 1 14 CYS H 3.360 . 5.000 2.735 2.229 3.545 . 0 0 "[ . 1 . 2]" 1
132 1 13 THR HB 1 14 CYS H 3.920 . 5.000 4.575 4.211 4.704 . 0 0 "[ . 1 . 2]" 1
133 1 13 THR MG 1 14 CYS H 4.130 . 6.000 3.636 2.108 4.345 . 0 0 "[ . 1 . 2]" 1
134 1 14 CYS H 1 14 CYS QB 3.960 . 5.600 3.001 2.785 3.322 . 0 0 "[ . 1 . 2]" 1
135 1 14 CYS H 1 17 CYS QB 4.280 . 6.000 3.755 2.999 4.746 . 0 0 "[ . 1 . 2]" 1
136 1 14 CYS H 1 17 CYS H 4.210 . 5.000 3.708 2.922 4.285 . 0 0 "[ . 1 . 2]" 1
137 1 14 CYS H 1 19 ILE H 3.790 . 5.000 5.119 5.018 5.224 0.224 17 0 "[ . 1 . 2]" 1
138 1 14 CYS QB 1 16 ALA H 3.570 . 6.000 4.494 3.679 5.181 . 0 0 "[ . 1 . 2]" 1
139 1 16 ALA H 1 16 ALA HA 2.710 . 3.300 2.890 2.836 2.997 . 0 0 "[ . 1 . 2]" 1
140 1 16 ALA H 1 17 CYS QB 3.430 . 6.000 4.347 3.806 4.742 . 0 0 "[ . 1 . 2]" 1
141 1 16 ALA H 1 17 CYS H 2.680 . 2.700 2.259 1.848 2.718 0.052 8 0 "[ . 1 . 2]" 1
142 1 16 ALA H 1 19 ILE MD 4.390 . 6.000 3.678 1.993 4.803 . 0 0 "[ . 1 . 2]" 1
143 1 16 ALA H 1 19 ILE MG 4.390 . 6.000 4.609 3.073 5.126 . 0 0 "[ . 1 . 2]" 1
144 1 16 ALA H 1 19 ILE H 4.240 . 5.000 3.449 2.822 5.017 0.017 10 0 "[ . 1 . 2]" 1
145 1 16 ALA MB 1 17 CYS H 3.140 . 4.300 2.545 1.911 3.538 . 0 0 "[ . 1 . 2]" 1
146 1 17 CYS H 1 17 CYS QB 2.600 . 3.700 2.608 2.411 2.916 . 0 0 "[ . 1 . 2]" 1
147 1 17 CYS H 1 19 ILE H 3.800 . 5.000 3.936 2.973 4.459 . 0 0 "[ . 1 . 2]" 1
148 1 19 ILE HA 1 22 LYS QB 2.520 . 3.700 2.803 2.600 3.001 . 0 0 "[ . 1 . 2]" 1
149 1 17 CYS QB 1 19 ILE H 4.090 . 6.000 4.718 4.260 5.160 . 0 0 "[ . 1 . 2]" 1
150 1 19 ILE H 1 19 ILE HA 2.810 . 3.300 2.856 2.776 2.900 . 0 0 "[ . 1 . 2]" 1
151 1 19 ILE H 1 19 ILE HB 2.650 . 3.300 2.160 1.903 2.470 . 0 0 "[ . 1 . 2]" 1
152 1 19 ILE H 1 19 ILE QG 3.250 . 4.300 2.765 1.865 3.756 0.035 18 0 "[ . 1 . 2]" 1
153 1 19 ILE H 1 20 THR HB 4.030 . 5.000 4.905 4.672 5.092 0.092 15 0 "[ . 1 . 2]" 1
154 1 19 ILE H 1 20 THR H 2.900 . 3.300 2.673 2.509 2.908 . 0 0 "[ . 1 . 2]" 1
155 1 19 ILE H 1 21 VAL H 3.970 . 5.000 4.059 3.873 4.406 . 0 0 "[ . 1 . 2]" 1
156 1 19 ILE H 1 22 LYS H 4.380 . 5.000 5.050 4.899 5.153 0.153 2 0 "[ . 1 . 2]" 1
157 1 20 THR HA 1 23 LYS QB 2.410 . 3.700 2.675 2.370 2.959 . 0 0 "[ . 1 . 2]" 1
158 1 17 CYS HA 1 20 THR HB 2.530 . 2.700 2.768 2.596 2.836 0.136 14 0 "[ . 1 . 2]" 1
159 1 20 THR HB 1 66 TYR HD2 2.950 . 3.300 3.412 3.374 3.454 0.154 19 0 "[ . 1 . 2]" 1
160 1 17 CYS HA 1 20 THR H 3.350 . 5.000 3.333 3.065 3.694 . 0 0 "[ . 1 . 2]" 1
161 1 17 CYS H 1 20 THR H 4.430 . 5.000 4.439 3.081 4.733 . 0 0 "[ . 1 . 2]" 1
162 1 19 ILE HB 1 20 THR H 2.840 . 3.300 3.046 2.628 3.471 0.171 19 0 "[ . 1 . 2]" 1
163 1 19 ILE QG 1 20 THR H 3.780 . 6.000 4.263 3.996 4.515 . 0 0 "[ . 1 . 2]" 1
164 1 20 THR H 1 20 THR HA 2.860 . 3.300 2.871 2.851 2.891 . 0 0 "[ . 1 . 2]" 1
165 1 20 THR H 1 20 THR HB 2.660 . 2.700 2.506 2.273 2.699 . 0 0 "[ . 1 . 2]" 1
166 1 20 THR H 1 20 THR MG 3.220 . 4.300 3.692 3.645 3.710 . 0 0 "[ . 1 . 2]" 1
167 1 20 THR H 1 21 VAL HA 4.220 . 5.000 5.159 5.121 5.187 0.187 4 0 "[ . 1 . 2]" 1
168 1 20 THR H 1 21 VAL QG 4.480 . 7.400 3.640 3.396 4.076 . 0 0 "[ . 1 . 2]" 1
169 1 20 THR H 1 21 VAL H 2.810 . 3.300 2.505 2.456 2.555 . 0 0 "[ . 1 . 2]" 1
170 1 20 THR H 1 22 LYS H 3.840 . 5.000 4.033 3.811 4.154 . 0 0 "[ . 1 . 2]" 1
171 1 20 THR H 1 23 LYS H 4.240 . 5.000 4.919 4.756 5.017 0.017 10 0 "[ . 1 . 2]" 1
172 1 21 VAL HA 1 24 ALA MB 2.350 . 3.700 2.242 1.974 2.598 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL QG 1 66 TYR HD2 2.620 . 5.100 2.230 1.968 2.609 . 0 0 "[ . 1 . 2]" 1
174 1 17 CYS HA 1 21 VAL H 4.190 . 5.000 4.782 4.635 4.911 . 0 0 "[ . 1 . 2]" 1
175 1 19 ILE HB 1 21 VAL H 3.720 . 5.000 4.976 4.765 5.160 0.160 12 0 "[ . 1 . 2]" 1
176 1 19 ILE MG 1 21 VAL H 4.200 . 6.000 4.411 3.862 4.907 . 0 0 "[ . 1 . 2]" 1
177 1 20 THR HA 1 21 VAL H 3.630 . 5.000 3.461 3.437 3.512 . 0 0 "[ . 1 . 2]" 1
178 1 20 THR HB 1 21 VAL H 2.880 . 3.300 2.848 2.530 2.977 . 0 0 "[ . 1 . 2]" 1
179 1 20 THR MG 1 21 VAL H 3.430 . 6.000 3.790 3.451 4.028 . 0 0 "[ . 1 . 2]" 1
180 1 21 VAL H 1 21 VAL HB 2.670 . 2.700 2.412 2.216 2.524 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL H 1 21 VAL QG 2.730 . 5.000 2.094 1.837 2.405 0.063 13 0 "[ . 1 . 2]" 1
182 1 21 VAL H 1 22 LYS HA 4.250 . 5.000 5.135 5.083 5.218 0.218 15 0 "[ . 1 . 2]" 1
183 1 21 VAL H 1 22 LYS H 2.900 . 3.300 2.457 2.392 2.579 . 0 0 "[ . 1 . 2]" 1
184 1 21 VAL H 1 23 LYS H 4.060 . 5.000 3.998 3.817 4.263 . 0 0 "[ . 1 . 2]" 1
185 1 22 LYS HA 1 25 LEU QB 2.670 . 4.300 3.522 3.357 3.617 . 0 0 "[ . 1 . 2]" 1
186 1 22 LYS HA 1 22 LYS QB 2.590 . 2.700 2.348 2.188 2.498 . 0 0 "[ . 1 . 2]" 1
187 1 19 ILE HA 1 22 LYS H 3.360 . 5.000 3.212 3.021 3.408 . 0 0 "[ . 1 . 2]" 1
188 1 19 ILE QG 1 22 LYS H 3.680 . 6.000 4.907 4.434 5.351 . 0 0 "[ . 1 . 2]" 1
189 1 19 ILE MG 1 22 LYS H 4.150 . 6.000 4.172 3.837 4.496 . 0 0 "[ . 1 . 2]" 1
190 1 20 THR HB 1 22 LYS H 4.240 . 5.000 4.970 4.698 5.081 0.081 4 0 "[ . 1 . 2]" 1
191 1 21 VAL HA 1 22 LYS H 3.570 . 5.000 3.510 3.488 3.524 . 0 0 "[ . 1 . 2]" 1
192 1 21 VAL HB 1 22 LYS H 2.810 . 3.300 2.708 2.580 2.865 . 0 0 "[ . 1 . 2]" 1
193 1 21 VAL QG 1 22 LYS H 3.410 . 7.400 3.315 3.216 3.388 . 0 0 "[ . 1 . 2]" 1
194 1 22 LYS H 1 22 LYS HA 2.920 . 3.300 2.868 2.842 2.887 . 0 0 "[ . 1 . 2]" 1
195 1 22 LYS H 1 22 LYS QB 2.720 . 3.900 2.112 1.992 2.193 . 0 0 "[ . 1 . 2]" 1
196 1 22 LYS H 1 23 LYS HA 3.490 . 5.000 5.191 5.156 5.214 0.214 10 0 "[ . 1 . 2]" 1
197 1 22 LYS H 1 23 LYS H 2.970 . 3.300 2.520 2.472 2.550 . 0 0 "[ . 1 . 2]" 1
198 1 22 LYS H 1 24 ALA H 4.110 . 5.000 3.853 3.599 4.201 . 0 0 "[ . 1 . 2]" 1
199 1 22 LYS H 1 36 VAL QG 2.920 . 5.700 2.794 2.188 3.769 . 0 0 "[ . 1 . 2]" 1
200 1 19 ILE MG 1 23 LYS H 4.040 . 6.000 4.201 3.878 4.606 . 0 0 "[ . 1 . 2]" 1
201 1 21 VAL HA 1 23 LYS H 4.290 . 5.000 4.254 4.000 4.507 . 0 0 "[ . 1 . 2]" 1
202 1 22 LYS HA 1 23 LYS H 3.530 . 5.000 3.532 3.506 3.557 . 0 0 "[ . 1 . 2]" 1
203 1 22 LYS QB 1 23 LYS H 2.890 . 4.300 2.555 2.262 3.263 . 0 0 "[ . 1 . 2]" 1
204 1 23 LYS H 1 23 LYS HA 2.770 . 3.300 2.866 2.839 2.891 . 0 0 "[ . 1 . 2]" 1
205 1 23 LYS H 1 23 LYS QB 2.530 . 3.300 2.171 2.003 2.493 . 0 0 "[ . 1 . 2]" 1
206 1 23 LYS H 1 23 LYS QG 3.360 . 6.000 3.577 1.916 3.996 . 0 0 "[ . 1 . 2]" 1
207 1 23 LYS H 1 24 ALA H . . 2.700 2.533 2.413 2.631 . 0 0 "[ . 1 . 2]" 1
208 1 23 LYS H 1 25 LEU QD 3.780 . 7.400 4.185 4.031 4.442 . 0 0 "[ . 1 . 2]" 1
209 1 21 VAL HA 1 24 ALA H 3.150 . 3.300 3.201 3.007 3.350 0.050 15 0 "[ . 1 . 2]" 1
210 1 22 LYS HA 1 24 ALA H 4.070 . 5.000 4.173 3.899 4.568 . 0 0 "[ . 1 . 2]" 1
211 1 23 LYS HA 1 24 ALA H 3.040 . 3.300 3.468 3.425 3.510 0.210 5 0 "[ . 1 . 2]" 1
212 1 23 LYS QB 1 24 ALA H 2.640 . 4.300 2.688 2.301 2.945 . 0 0 "[ . 1 . 2]" 1
213 1 23 LYS QD 1 24 ALA H 3.600 . 6.000 3.590 2.791 4.369 . 0 0 "[ . 1 . 2]" 1
214 1 24 ALA H 1 24 ALA HA 2.620 . 2.700 2.839 2.791 2.874 0.174 7 0 "[ . 1 . 2]" 1
215 1 24 ALA H 1 24 ALA MB 2.330 . 3.300 2.006 1.902 2.136 . 0 0 "[ . 1 . 2]" 1
216 1 24 ALA H 1 25 LEU MD1 3.700 . 6.000 3.783 3.472 4.018 . 0 0 "[ . 1 . 2]" 1
217 1 24 ALA H 1 25 LEU HG 3.350 . 5.000 4.360 4.018 4.600 . 0 0 "[ . 1 . 2]" 1
218 1 24 ALA H 1 25 LEU H 2.690 . 3.300 2.822 2.579 3.042 . 0 0 "[ . 1 . 2]" 1
219 1 24 ALA H 1 27 LYS QE 4.220 . 6.000 5.107 4.284 5.430 . 0 0 "[ . 1 . 2]" 1
220 1 25 LEU MD2 1 57 LEU QD 3.030 . 5.300 2.330 1.915 2.683 . 0 0 "[ . 1 . 2]" 1
221 1 21 VAL HA 1 25 LEU H 3.900 . 5.000 4.274 4.059 4.589 . 0 0 "[ . 1 . 2]" 1
222 1 22 LYS HA 1 25 LEU H 3.540 . 5.000 3.661 3.455 3.827 . 0 0 "[ . 1 . 2]" 1
223 1 23 LYS QD 1 25 LEU H 3.980 . 6.000 5.308 5.095 5.432 . 0 0 "[ . 1 . 2]" 1
224 1 24 ALA HA 1 25 LEU H 3.310 . 5.000 3.590 3.565 3.605 . 0 0 "[ . 1 . 2]" 1
225 1 24 ALA MB 1 25 LEU H 2.700 . 3.700 2.271 2.056 2.471 . 0 0 "[ . 1 . 2]" 1
226 1 25 LEU H 1 25 LEU HA 2.750 . 3.300 2.880 2.849 2.925 . 0 0 "[ . 1 . 2]" 1
227 1 25 LEU H 1 25 LEU QB 2.600 . 3.300 2.581 2.509 2.624 . 0 0 "[ . 1 . 2]" 1
228 1 25 LEU H 1 25 LEU MD1 2.860 . 4.300 2.289 1.907 2.513 . 0 0 "[ . 1 . 2]" 1
229 1 25 LEU H 1 25 LEU MD2 3.140 . 4.300 3.578 3.552 3.635 . 0 0 "[ . 1 . 2]" 1
230 1 25 LEU H 1 25 LEU HG 2.680 . 3.300 1.893 1.856 1.970 0.044 4 0 "[ . 1 . 2]" 1
231 1 25 LEU H 1 26 SER H 2.700 . 3.300 2.614 2.425 2.716 . 0 0 "[ . 1 . 2]" 1
232 1 25 LEU H 1 27 LYS H 3.860 . 5.000 3.917 3.709 4.175 . 0 0 "[ . 1 . 2]" 1
233 1 25 LEU H 1 45 VAL QG 4.040 . 7.400 4.165 3.876 4.829 . 0 0 "[ . 1 . 2]" 1
234 1 22 LYS HA 1 26 SER H 3.800 . 5.000 4.244 4.058 4.545 . 0 0 "[ . 1 . 2]" 1
235 1 24 ALA MB 1 26 SER H 3.620 . 6.000 4.271 4.031 4.552 . 0 0 "[ . 1 . 2]" 1
236 1 24 ALA H 1 26 SER H 3.890 . 5.000 3.970 3.757 4.282 . 0 0 "[ . 1 . 2]" 1
237 1 25 LEU QB 1 26 SER H 2.970 . 4.300 2.577 2.262 2.853 . 0 0 "[ . 1 . 2]" 1
238 1 25 LEU MD1 1 26 SER H 2.970 . 4.300 3.365 3.317 3.414 . 0 0 "[ . 1 . 2]" 1
239 1 25 LEU MD2 1 26 SER H 3.760 . 6.000 4.851 4.702 4.984 . 0 0 "[ . 1 . 2]" 1
240 1 25 LEU HG 1 26 SER H 3.610 . 5.000 4.105 4.028 4.225 . 0 0 "[ . 1 . 2]" 1
241 1 26 SER H 1 27 LYS HA 4.140 . 5.000 5.206 5.135 5.262 0.262 15 0 "[ . 1 . 2]" 1
242 1 26 SER H 1 27 LYS H 2.850 . 3.300 2.523 2.425 2.614 . 0 0 "[ . 1 . 2]" 1
243 1 26 SER H 1 28 VAL HB 4.410 . 5.000 4.926 4.694 5.052 0.052 2 0 "[ . 1 . 2]" 1
244 1 26 SER H 1 28 VAL QG 4.290 . 7.400 4.358 4.071 4.742 . 0 0 "[ . 1 . 2]" 1
245 1 26 SER H 1 28 VAL H 3.980 . 5.000 3.859 3.761 3.981 . 0 0 "[ . 1 . 2]" 1
246 1 24 ALA MB 1 27 LYS H 3.950 . 6.000 4.475 4.368 4.620 . 0 0 "[ . 1 . 2]" 1
247 1 27 LYS H 1 27 LYS HA 2.770 . 3.300 2.972 2.945 2.982 . 0 0 "[ . 1 . 2]" 1
248 1 27 LYS H 1 27 LYS QB 2.880 . 3.900 2.411 2.047 2.976 . 0 0 "[ . 1 . 2]" 1
249 1 27 LYS H 1 27 LYS QD 2.630 . 3.700 2.765 1.868 3.377 0.032 15 0 "[ . 1 . 2]" 1
250 1 27 LYS H 1 27 LYS QE 4.450 . 6.000 4.324 3.601 4.826 . 0 0 "[ . 1 . 2]" 1
251 1 27 LYS H 1 27 LYS QG 2.860 . 4.300 3.216 1.812 3.969 0.088 20 0 "[ . 1 . 2]" 1
252 1 27 LYS H 1 28 VAL HA 3.980 . 5.000 4.495 4.264 4.740 . 0 0 "[ . 1 . 2]" 1
253 1 27 LYS H 1 28 VAL QG 3.480 . 7.400 3.692 3.510 4.205 . 0 0 "[ . 1 . 2]" 1
254 1 27 LYS H 1 28 VAL H 2.650 . 2.700 2.183 2.038 2.363 . 0 0 "[ . 1 . 2]" 1
255 1 27 LYS H 1 60 ALA MB 3.950 . 6.000 4.354 4.048 4.755 . 0 0 "[ . 1 . 2]" 1
256 1 25 LEU HA 1 28 VAL HB 2.760 . 3.300 2.365 1.867 3.287 0.033 11 0 "[ . 1 . 2]" 1
257 1 25 LEU QB 1 28 VAL H 4.230 . 6.000 4.459 4.327 4.623 . 0 0 "[ . 1 . 2]" 1
258 1 27 LYS HA 1 28 VAL H 3.270 . 3.300 3.268 3.100 3.384 0.084 10 0 "[ . 1 . 2]" 1
259 1 27 LYS QB 1 28 VAL H 3.690 . 6.000 3.583 3.096 4.011 . 0 0 "[ . 1 . 2]" 1
260 1 27 LYS QD 1 28 VAL H 3.420 . 6.000 3.419 2.536 4.206 . 0 0 "[ . 1 . 2]" 1
261 1 27 LYS QG 1 28 VAL H 3.930 . 6.000 4.104 3.035 4.925 . 0 0 "[ . 1 . 2]" 1
262 1 28 VAL H 1 28 VAL HA 2.920 . 3.300 2.809 2.777 2.871 . 0 0 "[ . 1 . 2]" 1
263 1 28 VAL H 1 28 VAL HB 2.480 . 2.700 2.317 1.966 2.643 . 0 0 "[ . 1 . 2]" 1
264 1 28 VAL H 1 28 VAL QG 2.540 . 4.400 2.163 1.781 2.857 0.119 6 0 "[ . 1 . 2]" 1
265 1 28 VAL H 1 29 GLU H 3.650 . 5.000 3.035 2.722 3.454 . 0 0 "[ . 1 . 2]" 1
266 1 28 VAL H 1 31 VAL H 4.110 . 5.000 4.755 4.373 5.018 0.018 2 0 "[ . 1 . 2]" 1
267 1 28 VAL H 1 57 LEU QD 4.060 . 6.000 4.812 4.502 4.934 . 0 0 "[ . 1 . 2]" 1
268 1 28 VAL H 1 60 ALA MB 3.720 . 6.000 3.642 3.290 4.053 . 0 0 "[ . 1 . 2]" 1
269 1 27 LYS HA 1 29 GLU H 4.460 . 5.000 4.308 3.800 5.070 0.070 14 0 "[ . 1 . 2]" 1
270 1 27 LYS QD 1 29 GLU H 4.190 . 6.000 5.136 4.737 5.548 . 0 0 "[ . 1 . 2]" 1
271 1 28 VAL HA 1 29 GLU H 2.170 . 5.000 3.582 3.537 3.620 . 0 0 "[ . 1 . 2]" 1
272 1 28 VAL QG 1 29 GLU H 2.660 . 5.100 1.867 1.703 2.438 0.197 9 0 "[ . 1 . 2]" 1
273 1 29 GLU H 1 29 GLU HA 2.720 . 3.300 2.802 2.736 2.921 . 0 0 "[ . 1 . 2]" 1
274 1 29 GLU H 1 29 GLU QB 2.380 . 3.700 3.025 2.705 3.444 . 0 0 "[ . 1 . 2]" 1
275 1 29 GLU H 1 29 GLU QG 3.140 . 4.230 3.701 2.486 3.962 . 0 0 "[ . 1 . 2]" 1
276 1 29 GLU H 1 31 VAL H 4.280 . 5.000 2.530 2.264 2.687 . 0 0 "[ . 1 . 2]" 1
277 1 29 GLU H 1 52 ALA MB 3.960 . 6.000 3.936 3.464 4.174 . 0 0 "[ . 1 . 2]" 1
278 1 29 GLU H 1 57 LEU QD 4.690 . 6.000 4.814 4.503 4.965 . 0 0 "[ . 1 . 2]" 1
279 1 29 GLU QB 1 30 GLY H 3.180 . 4.300 2.140 1.813 3.341 0.087 13 0 "[ . 1 . 2]" 1
280 1 29 GLU QG 1 30 GLY H 3.270 . 4.300 3.455 1.790 3.991 0.110 4 0 "[ . 1 . 2]" 1
281 1 30 GLY H 1 30 GLY HA3 2.710 . 3.300 2.409 2.348 2.546 . 0 0 "[ . 1 . 2]" 1
282 1 30 GLY H 1 30 GLY HA2 2.890 . 3.300 2.949 2.865 2.995 . 0 0 "[ . 1 . 2]" 1
283 1 30 GLY H 1 31 VAL QG 3.630 . 7.400 3.993 3.253 4.381 . 0 0 "[ . 1 . 2]" 1
284 1 30 GLY H 1 31 VAL H 2.810 . 3.300 2.431 2.027 2.649 . 0 0 "[ . 1 . 2]" 1
285 1 30 GLY H 1 51 LYS QB 3.980 . 6.000 3.408 2.707 4.336 . 0 0 "[ . 1 . 2]" 1
286 1 30 GLY H 1 51 LYS QE 4.590 . 6.000 4.569 3.651 5.358 . 0 0 "[ . 1 . 2]" 1
287 1 30 GLY H 1 52 ALA MB 4.420 . 6.000 1.979 1.801 2.398 0.099 3 0 "[ . 1 . 2]" 1
288 1 30 GLY H 1 56 LYS QD 4.530 . 6.000 4.991 4.488 5.415 . 0 0 "[ . 1 . 2]" 1
289 1 31 VAL HA 1 47 PHE HA 2.210 . 2.700 2.651 2.294 2.729 0.029 13 0 "[ . 1 . 2]" 1
290 1 28 VAL QG 1 31 VAL H 3.980 . 7.400 2.337 1.854 2.695 0.046 16 0 "[ . 1 . 2]" 1
291 1 29 GLU HA 1 31 VAL H 3.070 . 5.000 4.384 3.999 4.710 . 0 0 "[ . 1 . 2]" 1
292 1 29 GLU QB 1 31 VAL H 4.380 . 6.000 3.925 3.574 4.825 . 0 0 "[ . 1 . 2]" 1
293 1 30 GLY HA3 1 31 VAL H 3.260 . 3.300 3.276 3.053 3.379 0.079 8 0 "[ . 1 . 2]" 1
294 1 30 GLY HA2 1 31 VAL H 3.230 . 3.300 3.315 3.196 3.454 0.154 12 0 "[ . 1 . 2]" 1
295 1 31 VAL H 1 31 VAL HB 2.350 . 2.700 2.320 2.034 2.488 . 0 0 "[ . 1 . 2]" 1
296 1 31 VAL H 1 31 VAL QG 2.450 . 4.400 2.286 1.934 2.833 . 0 0 "[ . 1 . 2]" 1
297 1 31 VAL H 1 32 SER H 3.850 . 5.000 4.558 4.498 4.609 . 0 0 "[ . 1 . 2]" 1
298 1 31 VAL H 1 45 VAL QG 4.050 . 7.400 4.965 4.611 5.580 . 0 0 "[ . 1 . 2]" 1
299 1 31 VAL H 1 47 PHE HA 4.080 . 5.000 4.836 4.484 5.020 0.020 7 0 "[ . 1 . 2]" 1
300 1 31 VAL H 1 47 PHE QB 4.430 . 6.000 3.395 3.027 3.631 . 0 0 "[ . 1 . 2]" 1
301 1 31 VAL H 1 48 ASP H 4.110 . 5.000 4.597 4.244 4.861 . 0 0 "[ . 1 . 2]" 1
302 1 31 VAL H 1 52 ALA MB 3.800 . 6.000 3.115 2.638 3.429 . 0 0 "[ . 1 . 2]" 1
303 1 31 VAL H 1 57 LEU QD 4.130 . 6.000 4.209 3.766 4.553 . 0 0 "[ . 1 . 2]" 1
304 1 31 VAL HA 1 32 SER H 2.450 . 2.700 2.156 2.136 2.184 . 0 0 "[ . 1 . 2]" 1
305 1 31 VAL HB 1 32 SER H 3.690 . 5.000 4.324 4.144 4.487 . 0 0 "[ . 1 . 2]" 1
306 1 31 VAL QG 1 32 SER H 2.640 . 5.100 2.577 2.325 2.839 . 0 0 "[ . 1 . 2]" 1
307 1 32 SER H 1 32 SER QB 3.220 . 3.900 2.281 2.132 2.805 . 0 0 "[ . 1 . 2]" 1
308 1 32 SER H 1 33 LYS HA 4.130 . 5.000 4.752 4.659 4.854 . 0 0 "[ . 1 . 2]" 1
309 1 32 SER H 1 33 LYS QG 4.250 . 6.000 5.343 5.096 5.585 . 0 0 "[ . 1 . 2]" 1
310 1 32 SER H 1 33 LYS H 2.560 . 2.700 1.953 1.858 2.062 0.042 4 0 "[ . 1 . 2]" 1
311 1 32 SER H 1 46 THR HA 4.450 . 5.000 4.989 4.770 5.055 0.055 14 0 "[ . 1 . 2]" 1
312 1 32 SER H 1 46 THR HB 3.790 . 5.000 4.255 3.969 4.390 . 0 0 "[ . 1 . 2]" 1
313 1 32 SER H 1 46 THR MG 3.470 . 6.000 3.290 3.043 3.456 . 0 0 "[ . 1 . 2]" 1
314 1 32 SER H 1 47 PHE HA 2.820 . 3.300 1.891 1.843 2.006 0.057 3 0 "[ . 1 . 2]" 1
315 1 32 SER H 1 47 PHE QB 3.470 . 6.000 2.823 2.713 2.992 . 0 0 "[ . 1 . 2]" 1
316 1 32 SER H 1 47 PHE QD 4.560 . 7.000 4.628 4.568 4.749 . 0 0 "[ . 1 . 2]" 1
317 1 32 SER H 1 48 ASP H 3.680 . 5.000 4.102 3.974 4.346 . 0 0 "[ . 1 . 2]" 1
318 1 32 SER H 1 57 LEU QD 4.710 . 6.000 4.820 4.773 4.881 . 0 0 "[ . 1 . 2]" 1
319 1 31 VAL HA 1 33 LYS H 3.180 . 3.300 3.469 3.373 3.516 0.216 8 0 "[ . 1 . 2]" 1
320 1 31 VAL HB 1 33 LYS H 4.300 . 5.000 4.888 4.608 5.040 0.040 10 0 "[ . 1 . 2]" 1
321 1 31 VAL QG 1 33 LYS H 2.680 . 5.100 2.229 1.880 2.503 0.020 4 0 "[ . 1 . 2]" 1
322 1 32 SER HA 1 33 LYS H 3.260 . 3.300 3.401 3.369 3.423 0.123 20 0 "[ . 1 . 2]" 1
323 1 32 SER QB 1 33 LYS H 3.460 . 6.000 3.091 2.974 3.277 . 0 0 "[ . 1 . 2]" 1
324 1 33 LYS H 1 33 LYS HA 2.930 . 3.300 2.943 2.923 2.978 . 0 0 "[ . 1 . 2]" 1
325 1 33 LYS H 1 33 LYS QB 2.800 . 4.300 2.704 2.606 2.786 . 0 0 "[ . 1 . 2]" 1
326 1 33 LYS H 1 33 LYS QG 3.620 . 6.000 3.822 3.569 4.148 . 0 0 "[ . 1 . 2]" 1
327 1 33 LYS H 1 34 VAL H 3.570 . 5.000 4.397 4.368 4.436 . 0 0 "[ . 1 . 2]" 1
328 1 33 LYS H 1 45 VAL HA 3.670 . 5.000 4.966 4.730 5.068 0.068 20 0 "[ . 1 . 2]" 1
329 1 33 LYS H 1 46 THR HA 4.330 . 5.000 5.004 4.893 5.049 0.049 18 0 "[ . 1 . 2]" 1
330 1 33 LYS H 1 46 THR HB 2.930 . 3.300 3.331 3.184 3.381 0.081 10 0 "[ . 1 . 2]" 1
331 1 33 LYS H 1 46 THR MG 3.220 . 6.000 3.440 3.306 3.562 . 0 0 "[ . 1 . 2]" 1
332 1 33 LYS H 1 47 PHE HA 3.610 . 5.000 3.655 3.548 3.811 . 0 0 "[ . 1 . 2]" 1
333 1 33 LYS H 1 47 PHE QB 4.290 . 6.000 4.020 3.900 4.134 . 0 0 "[ . 1 . 2]" 1
334 1 34 VAL HA 1 45 VAL HA 2.570 . 2.700 2.168 1.876 2.632 0.024 14 0 "[ . 1 . 2]" 1
335 1 22 LYS QE 1 34 VAL H 4.320 . 6.000 4.878 3.778 5.421 . 0 0 "[ . 1 . 2]" 1
336 1 33 LYS HA 1 34 VAL H 2.230 . 2.700 2.407 2.325 2.487 . 0 0 "[ . 1 . 2]" 1
337 1 33 LYS QB 1 34 VAL H 3.010 . 4.300 3.382 3.203 3.498 . 0 0 "[ . 1 . 2]" 1
338 1 33 LYS QG 1 34 VAL H 2.950 . 4.300 2.160 1.851 2.914 0.049 20 0 "[ . 1 . 2]" 1
339 1 34 VAL H 1 34 VAL HA 2.780 . 3.300 2.963 2.927 2.979 . 0 0 "[ . 1 . 2]" 1
340 1 34 VAL H 1 34 VAL HB 2.820 . 3.300 2.995 2.719 3.342 0.042 12 0 "[ . 1 . 2]" 1
341 1 34 VAL H 1 34 VAL QG 2.810 . 5.000 2.568 1.995 3.080 . 0 0 "[ . 1 . 2]" 1
342 1 34 VAL H 1 35 ASP HA 4.030 . 5.000 4.977 4.828 5.055 0.055 10 0 "[ . 1 . 2]" 1
343 1 34 VAL H 1 35 ASP H 3.710 . 5.000 4.364 4.179 4.440 . 0 0 "[ . 1 . 2]" 1
344 1 34 VAL H 1 45 VAL HA 3.820 . 5.000 4.534 4.329 4.765 . 0 0 "[ . 1 . 2]" 1
345 1 34 VAL H 1 46 THR HB 4.290 . 5.000 4.962 4.683 5.125 0.125 16 0 "[ . 1 . 2]" 1
346 1 22 LYS QD 1 35 ASP H 4.630 . 6.000 4.581 3.347 5.302 . 0 0 "[ . 1 . 2]" 1
347 1 25 LEU QB 1 35 ASP H 4.640 . 6.000 4.769 3.900 5.096 . 0 0 "[ . 1 . 2]" 1
348 1 34 VAL HA 1 35 ASP H 2.300 . 2.700 2.294 2.178 2.384 . 0 0 "[ . 1 . 2]" 1
349 1 34 VAL HB 1 35 ASP H 3.690 . 5.000 3.971 3.695 4.255 . 0 0 "[ . 1 . 2]" 1
350 1 34 VAL QG 1 35 ASP H 2.620 . 5.100 2.084 1.832 2.703 0.068 9 0 "[ . 1 . 2]" 1
351 1 35 ASP H 1 35 ASP HA 2.990 . 3.300 2.930 2.895 2.990 . 0 0 "[ . 1 . 2]" 1
352 1 35 ASP H 1 35 ASP QB 3.080 . 3.900 2.765 2.473 3.322 . 0 0 "[ . 1 . 2]" 1
353 1 33 LYS QG 1 35 ASP H 4.320 . 6.000 4.656 4.371 5.312 . 0 0 "[ . 1 . 2]" 1
354 1 35 ASP H 1 43 ALA HA 3.660 . 5.000 4.604 4.156 4.819 . 0 0 "[ . 1 . 2]" 1
355 1 35 ASP H 1 44 VAL QG 3.450 . 7.400 3.628 2.750 4.268 . 0 0 "[ . 1 . 2]" 1
356 1 35 ASP H 1 44 VAL H 3.040 . 3.300 3.331 2.948 3.400 0.100 15 0 "[ . 1 . 2]" 1
357 1 35 ASP H 1 45 VAL HA 3.190 . 3.300 3.232 3.033 3.355 0.055 14 0 "[ . 1 . 2]" 1
358 1 35 ASP HA 1 36 VAL H 2.720 . 3.300 2.353 2.267 2.468 . 0 0 "[ . 1 . 2]" 1
359 1 35 ASP QB 1 36 VAL H 4.040 . 6.000 3.783 2.924 4.075 . 0 0 "[ . 1 . 2]" 1
360 1 35 ASP H 1 36 VAL H 4.240 . 5.000 3.620 3.105 4.414 . 0 0 "[ . 1 . 2]" 1
361 1 36 VAL H 1 36 VAL HA 2.420 . 3.300 2.983 2.952 2.992 . 0 0 "[ . 1 . 2]" 1
362 1 36 VAL H 1 36 VAL HB 3.270 . 5.000 3.308 2.453 3.677 . 0 0 "[ . 1 . 2]" 1
363 1 36 VAL H 1 36 VAL QG 3.230 . 5.000 2.065 1.815 3.058 0.085 13 0 "[ . 1 . 2]" 1
364 1 36 VAL H 1 43 ALA HA 3.990 . 5.000 4.304 4.061 4.977 . 0 0 "[ . 1 . 2]" 1
365 1 36 VAL H 1 44 VAL QG 4.550 . 7.400 5.094 3.924 5.497 . 0 0 "[ . 1 . 2]" 1
366 1 36 VAL HB 1 37 GLY H 3.610 . 5.000 2.728 1.938 4.157 . 0 0 "[ . 1 . 2]" 1
367 1 36 VAL QG 1 37 GLY H 2.740 . 5.700 2.145 1.758 2.768 0.142 5 0 "[ . 1 . 2]" 1
368 1 37 GLY H 1 37 GLY HA3 2.710 . 3.300 2.618 2.477 2.707 . 0 0 "[ . 1 . 2]" 1
369 1 37 GLY H 1 41 ARG HA 4.700 . 5.000 4.870 4.476 5.101 0.101 18 0 "[ . 1 . 2]" 1
370 1 37 GLY H 1 42 GLU HA 4.450 . 5.000 4.784 4.642 5.023 0.023 18 0 "[ . 1 . 2]" 1
371 1 37 GLY H 1 42 GLU QB 3.940 . 6.000 3.694 3.377 4.455 . 0 0 "[ . 1 . 2]" 1
372 1 37 GLY H 1 42 GLU QG 4.350 . 6.000 4.929 2.679 5.428 . 0 0 "[ . 1 . 2]" 1
373 1 37 GLY H 1 42 GLU H 3.390 . 5.000 2.845 2.569 3.193 . 0 0 "[ . 1 . 2]" 1
374 1 37 GLY H 1 43 ALA HA 2.950 . 3.300 3.258 2.970 3.375 0.075 16 0 "[ . 1 . 2]" 1
375 1 37 GLY H 1 43 ALA MB 3.450 . 6.000 4.023 3.672 4.317 . 0 0 "[ . 1 . 2]" 1
376 1 37 GLY H 1 44 VAL H 3.470 . 5.000 4.765 4.505 5.040 0.040 7 0 "[ . 1 . 2]" 1
377 1 19 ILE H 1 38 PHE H 4.240 . 5.000 5.106 4.884 5.281 0.281 19 0 "[ . 1 . 2]" 1
378 1 37 GLY HA3 1 38 PHE H 3.520 . 5.000 3.380 3.239 3.541 . 0 0 "[ . 1 . 2]" 1
379 1 37 GLY HA2 1 38 PHE H 3.200 . 3.300 2.240 2.133 2.683 . 0 0 "[ . 1 . 2]" 1
380 1 37 GLY H 1 38 PHE H 4.210 . 5.000 3.836 2.956 4.195 . 0 0 "[ . 1 . 2]" 1
381 1 38 PHE H 1 38 PHE QB 3.550 . 5.600 2.484 2.153 2.785 . 0 0 "[ . 1 . 2]" 1
382 1 19 ILE H 1 39 GLU H 4.390 . 5.000 5.121 5.017 5.371 0.371 18 0 "[ . 1 . 2]" 1
383 1 38 PHE HA 1 39 GLU H 4.550 . 5.000 3.175 2.538 3.556 . 0 0 "[ . 1 . 2]" 1
384 1 38 PHE QB 1 39 GLU H 3.830 . 6.000 2.360 1.723 4.051 0.177 12 0 "[ . 1 . 2]" 1
385 1 39 GLU H 1 39 GLU QB 3.460 . 5.600 2.358 2.022 2.915 . 0 0 "[ . 1 . 2]" 1
386 1 39 GLU H 1 39 GLU QG 4.250 . 6.000 3.645 1.892 4.382 0.008 6 0 "[ . 1 . 2]" 1
387 1 39 GLU H 1 40 LYS QB 4.880 . 6.000 4.762 4.096 5.343 . 0 0 "[ . 1 . 2]" 1
388 1 39 GLU H 1 40 LYS H 4.310 . 5.000 3.054 2.084 3.841 . 0 0 "[ . 1 . 2]" 1
389 1 37 GLY HA3 1 40 LYS H 4.540 . 5.000 4.196 3.102 5.043 0.043 7 0 "[ . 1 . 2]" 1
390 1 39 GLU HA 1 40 LYS H 3.760 . 5.000 3.564 3.459 3.619 . 0 0 "[ . 1 . 2]" 1
391 1 39 GLU QB 1 40 LYS H 3.400 . 6.000 2.441 1.940 3.132 . 0 0 "[ . 1 . 2]" 1
392 1 39 GLU QG 1 40 LYS H 4.350 . 6.000 3.809 2.741 4.500 . 0 0 "[ . 1 . 2]" 1
393 1 40 LYS H 1 40 LYS QB 3.250 . 3.900 2.158 1.911 2.703 . 0 0 "[ . 1 . 2]" 1
394 1 40 LYS H 1 40 LYS QD 3.840 . 6.000 3.997 2.113 4.878 . 0 0 "[ . 1 . 2]" 1
395 1 40 LYS H 1 40 LYS QG 3.530 . 6.000 3.258 1.867 4.037 0.033 4 0 "[ . 1 . 2]" 1
396 1 40 LYS H 1 41 ARG H 3.220 . 3.300 2.976 2.406 3.315 0.015 16 0 "[ . 1 . 2]" 1
397 1 38 PHE HA 1 41 ARG H 3.790 . 5.000 4.497 3.604 5.064 0.064 6 0 "[ . 1 . 2]" 1
398 1 40 LYS HA 1 41 ARG H 3.480 . 5.000 3.151 2.704 3.571 . 0 0 "[ . 1 . 2]" 1
399 1 40 LYS QB 1 41 ARG H 3.580 . 6.000 3.291 1.763 4.043 0.137 17 0 "[ . 1 . 2]" 1
400 1 41 ARG H 1 41 ARG HA 2.690 . 2.700 2.446 2.334 2.656 . 0 0 "[ . 1 . 2]" 1
401 1 41 ARG H 1 41 ARG QB 3.150 . 4.300 2.728 2.272 3.493 . 0 0 "[ . 1 . 2]" 1
402 1 41 ARG H 1 41 ARG QD 3.790 . 6.000 4.871 4.468 5.225 . 0 0 "[ . 1 . 2]" 1
403 1 41 ARG H 1 41 ARG QG 3.310 . 6.000 3.506 2.744 4.270 . 0 0 "[ . 1 . 2]" 1
404 1 9 VAL QG 1 42 GLU H 3.780 . 7.400 3.819 3.164 4.767 . 0 0 "[ . 1 . 2]" 1
405 1 37 GLY HA3 1 42 GLU H 4.010 . 5.000 3.511 2.391 4.044 . 0 0 "[ . 1 . 2]" 1
406 1 37 GLY HA2 1 42 GLU H 4.350 . 5.000 4.729 3.940 5.051 0.051 9 0 "[ . 1 . 2]" 1
407 1 38 PHE HA 1 42 GLU H 4.220 . 5.000 4.787 4.122 5.062 0.062 8 0 "[ . 1 . 2]" 1
408 1 40 LYS QB 1 42 GLU H 3.600 . 6.000 4.201 3.640 5.329 . 0 0 "[ . 1 . 2]" 1
409 1 41 ARG HA 1 42 GLU H 2.780 . 3.300 2.450 2.362 2.600 . 0 0 "[ . 1 . 2]" 1
410 1 41 ARG QB 1 42 GLU H 3.060 . 4.300 3.982 3.887 4.062 . 0 0 "[ . 1 . 2]" 1
411 1 41 ARG QD 1 42 GLU H 4.310 . 6.000 4.648 4.040 4.976 . 0 0 "[ . 1 . 2]" 1
412 1 42 GLU H 1 42 GLU QB 2.890 . 3.900 2.751 2.435 3.156 . 0 0 "[ . 1 . 2]" 1
413 1 42 GLU H 1 42 GLU QG 3.490 . 6.000 4.034 2.166 4.357 . 0 0 "[ . 1 . 2]" 1
414 1 42 GLU H 1 43 ALA HA 4.580 . 5.000 4.550 4.429 4.685 . 0 0 "[ . 1 . 2]" 1
415 1 42 GLU H 1 43 ALA MB 3.950 . 6.000 4.381 4.169 4.652 . 0 0 "[ . 1 . 2]" 1
416 1 42 GLU H 1 43 ALA H 3.870 . 5.000 4.014 3.857 4.196 . 0 0 "[ . 1 . 2]" 1
417 1 6 THR HA 1 43 ALA H 3.600 . 5.000 4.974 4.736 5.093 0.093 7 0 "[ . 1 . 2]" 1
418 1 7 LEU HG 1 43 ALA H 3.810 . 5.000 5.094 5.002 5.169 0.169 11 0 "[ . 1 . 2]" 1
419 1 8 ALA HA 1 43 ALA H 3.410 . 5.000 3.903 3.583 4.285 . 0 0 "[ . 1 . 2]" 1
420 1 21 VAL QG 1 43 ALA H 3.040 . 5.700 3.828 3.697 3.976 . 0 0 "[ . 1 . 2]" 1
421 1 42 GLU HA 1 43 ALA H 2.400 . 2.700 2.248 2.217 2.275 . 0 0 "[ . 1 . 2]" 1
422 1 42 GLU QG 1 43 ALA H 3.750 . 6.000 3.308 2.856 4.143 . 0 0 "[ . 1 . 2]" 1
423 1 43 ALA H 1 43 ALA MB 2.640 . 3.300 2.218 2.105 2.304 . 0 0 "[ . 1 . 2]" 1
424 1 35 ASP QB 1 44 VAL H 3.620 . 6.000 3.601 1.828 4.663 0.072 18 0 "[ . 1 . 2]" 1
425 1 43 ALA HA 1 44 VAL H 2.330 . 2.700 2.210 2.189 2.223 . 0 0 "[ . 1 . 2]" 1
426 1 44 VAL H 1 44 VAL HA 2.970 . 3.300 2.996 2.991 3.004 . 0 0 "[ . 1 . 2]" 1
427 1 44 VAL H 1 44 VAL HB 2.600 . 2.700 2.289 2.176 2.723 0.023 8 0 "[ . 1 . 2]" 1
428 1 44 VAL H 1 44 VAL QG 2.610 . 4.400 2.807 1.967 2.996 . 0 0 "[ . 1 . 2]" 1
429 1 44 VAL H 1 45 VAL H 3.600 . 5.000 4.341 4.203 4.534 . 0 0 "[ . 1 . 2]" 1
430 1 6 THR HA 1 45 VAL H 3.160 . 3.300 3.397 3.355 3.468 0.168 12 0 "[ . 1 . 2]" 1
431 1 7 LEU QB 1 45 VAL H 4.380 . 7.000 4.661 4.456 4.878 . 0 0 "[ . 1 . 2]" 1
432 1 7 LEU H 1 45 VAL H 3.770 . 5.000 4.918 4.771 5.032 0.032 4 0 "[ . 1 . 2]" 1
433 1 25 LEU MD2 1 45 VAL H 4.470 . 6.000 4.009 3.811 4.351 . 0 0 "[ . 1 . 2]" 1
434 1 44 VAL HA 1 45 VAL H 2.430 . 2.700 2.221 2.197 2.298 . 0 0 "[ . 1 . 2]" 1
435 1 44 VAL QG 1 45 VAL H 2.860 . 5.700 2.927 2.530 3.129 . 0 0 "[ . 1 . 2]" 1
436 1 45 VAL H 1 45 VAL HB 2.830 . 4.300 2.756 2.412 3.818 . 0 0 "[ . 1 . 2]" 1
437 1 45 VAL H 1 45 VAL QG 2.850 . 5.000 2.547 1.829 2.981 0.071 20 0 "[ . 1 . 2]" 1
438 1 45 VAL H 1 57 LEU QD 4.440 . 6.000 3.821 3.640 4.183 . 0 0 "[ . 1 . 2]" 1
439 1 4 THR MG 1 46 THR HA 2.340 . 3.700 2.636 2.221 3.437 . 0 0 "[ . 1 . 2]" 1
440 1 45 VAL QG 1 46 THR HA 2.910 . 5.700 3.508 3.254 3.956 . 0 0 "[ . 1 . 2]" 1
441 1 46 THR HA 1 47 PHE HA 3.420 . 5.000 4.606 4.582 4.637 . 0 0 "[ . 1 . 2]" 1
442 1 46 THR HA 1 47 PHE QD 2.800 . 3.300 3.011 2.726 3.259 . 0 0 "[ . 1 . 2]" 1
443 1 46 THR HA 1 47 PHE QE 3.310 . 5.000 4.298 3.916 4.518 . 0 0 "[ . 1 . 2]" 1
444 1 33 LYS QB 1 46 THR H 3.480 . 6.000 3.150 2.161 3.442 . 0 0 "[ . 1 . 2]" 1
445 1 33 LYS H 1 46 THR H 3.420 . 5.000 3.149 2.876 3.254 . 0 0 "[ . 1 . 2]" 1
446 1 45 VAL HA 1 46 THR H 2.540 . 2.700 2.260 2.214 2.471 . 0 0 "[ . 1 . 2]" 1
447 1 45 VAL HB 1 46 THR H 3.950 . 5.000 3.817 2.089 4.080 . 0 0 "[ . 1 . 2]" 1
448 1 45 VAL H 1 46 THR H 4.100 . 5.000 4.483 4.439 4.513 . 0 0 "[ . 1 . 2]" 1
449 1 46 THR H 1 46 THR HB 2.990 . 3.300 2.294 2.231 2.396 . 0 0 "[ . 1 . 2]" 1
450 1 46 THR H 1 46 THR MG 2.940 . 4.300 3.600 3.571 3.636 . 0 0 "[ . 1 . 2]" 1
451 1 46 THR H 1 47 PHE H 4.160 . 5.000 4.506 4.450 4.548 . 0 0 "[ . 1 . 2]" 1
452 1 46 THR H 1 57 LEU QD 4.420 . 6.000 4.361 4.233 4.432 . 0 0 "[ . 1 . 2]" 1
453 1 47 PHE HA 1 47 PHE QD 2.630 . 4.700 3.695 3.684 3.705 . 0 0 "[ . 1 . 2]" 1
454 1 47 PHE HA 1 47 PHE QE 3.510 . 7.000 5.589 5.578 5.601 . 0 0 "[ . 1 . 2]" 1
455 1 47 PHE QB 1 57 LEU QD 3.450 . 7.000 2.662 2.570 2.788 . 0 0 "[ . 1 . 2]" 1
456 1 47 PHE QD 1 53 SER HA 3.340 . 7.000 3.680 3.506 3.843 . 0 0 "[ . 1 . 2]" 1
457 1 47 PHE QD 1 57 LEU QD 2.610 . 3.700 2.195 2.017 2.303 . 0 0 "[ . 1 . 2]" 1
458 1 47 PHE QD 1 49 ASP HA 2.320 . 2.700 2.806 2.764 2.838 0.138 18 0 "[ . 1 . 2]" 1
459 1 47 PHE QE 1 53 SER HA 2.640 . 4.700 2.048 1.894 2.262 0.006 19 0 "[ . 1 . 2]" 1
460 1 47 PHE QE 1 54 VAL HA 3.050 . 3.300 3.245 3.043 3.313 0.013 11 0 "[ . 1 . 2]" 1
461 1 47 PHE QE 1 57 LEU QD 2.710 . 4.400 2.010 1.865 2.205 0.035 13 0 "[ . 1 . 2]" 1
462 1 3 GLN QG 1 47 PHE QE 2.350 . 3.700 2.902 2.232 3.321 . 0 0 "[ . 1 . 2]" 1
463 1 47 PHE QE 1 49 ASP HA 2.300 . 2.700 1.996 1.880 2.148 0.020 19 0 "[ . 1 . 2]" 1
464 1 47 PHE QE 1 49 ASP QB 2.650 . 3.700 2.346 2.027 2.610 . 0 0 "[ . 1 . 2]" 1
465 1 3 GLN QB 1 47 PHE HZ 3.120 . 4.300 2.624 2.100 4.017 . 0 0 "[ . 1 . 2]" 1
466 1 3 GLN QG 1 47 PHE HZ 2.720 . 4.300 2.997 1.912 3.691 . 0 0 "[ . 1 . 2]" 1
467 1 47 PHE HZ 1 49 ASP HA 3.020 . 5.000 4.413 4.295 4.557 . 0 0 "[ . 1 . 2]" 1
468 1 47 PHE HZ 1 49 ASP QB 3.280 . 4.300 3.767 3.446 3.980 . 0 0 "[ . 1 . 2]" 1
469 1 47 PHE HZ 1 53 SER HA 3.260 . 3.300 2.578 2.329 2.876 . 0 0 "[ . 1 . 2]" 1
470 1 47 PHE HZ 1 54 VAL HA 3.340 . 5.000 3.867 3.693 4.031 . 0 0 "[ . 1 . 2]" 1
471 1 47 PHE HZ 1 57 LEU QD 3.000 . 4.300 3.294 3.209 3.371 . 0 0 "[ . 1 . 2]" 1
472 1 2 THR HA 1 47 PHE H 3.990 . 5.000 3.941 3.798 4.031 . 0 0 "[ . 1 . 2]" 1
473 1 2 THR HB 1 47 PHE H 3.740 . 5.000 5.110 5.041 5.213 0.213 10 0 "[ . 1 . 2]" 1
474 1 3 GLN HA 1 47 PHE H 4.510 . 5.000 4.641 4.367 4.766 . 0 0 "[ . 1 . 2]" 1
475 1 3 GLN QG 1 47 PHE H 4.790 . 7.000 4.807 3.870 5.200 . 0 0 "[ . 1 . 2]" 1
476 1 3 GLN QB 1 47 PHE H 4.450 . 6.000 4.600 4.303 5.183 . 0 0 "[ . 1 . 2]" 1
477 1 31 VAL QG 1 47 PHE H 4.320 . 7.400 5.095 4.845 5.274 . 0 0 "[ . 1 . 2]" 1
478 1 46 THR HA 1 47 PHE H 2.540 . 2.700 2.432 2.365 2.499 . 0 0 "[ . 1 . 2]" 1
479 1 46 THR MG 1 47 PHE H 2.890 . 4.300 2.040 1.855 2.238 0.045 1 0 "[ . 1 . 2]" 1
480 1 47 PHE H 1 47 PHE QB 3.800 . 5.600 3.210 3.182 3.231 . 0 0 "[ . 1 . 2]" 1
481 1 47 PHE H 1 47 PHE QD 3.040 . 3.300 3.053 2.925 3.207 . 0 0 "[ . 1 . 2]" 1
482 1 47 PHE H 1 47 PHE QE 4.060 . 5.000 4.353 4.242 4.462 . 0 0 "[ . 1 . 2]" 1
483 1 47 PHE H 1 48 ASP H 4.440 . 5.000 4.371 4.353 4.392 . 0 0 "[ . 1 . 2]" 1
484 1 30 GLY HA3 1 48 ASP H 3.670 . 5.000 3.200 2.635 3.615 . 0 0 "[ . 1 . 2]" 1
485 1 30 GLY HA2 1 48 ASP H 3.580 . 5.000 4.260 3.660 4.766 . 0 0 "[ . 1 . 2]" 1
486 1 31 VAL HA 1 48 ASP H 3.340 . 5.000 3.805 3.670 3.917 . 0 0 "[ . 1 . 2]" 1
487 1 31 VAL QG 1 48 ASP H 3.510 . 7.400 4.842 4.547 5.059 . 0 0 "[ . 1 . 2]" 1
488 1 46 THR MG 1 48 ASP H 4.110 . 6.000 4.914 4.867 4.952 . 0 0 "[ . 1 . 2]" 1
489 1 47 PHE HA 1 48 ASP H 2.590 . 2.700 2.549 2.491 2.631 . 0 0 "[ . 1 . 2]" 1
490 1 47 PHE QD 1 48 ASP H 3.490 . 5.000 2.609 2.549 2.681 . 0 0 "[ . 1 . 2]" 1
491 1 48 ASP H 1 48 ASP HA 2.990 . 3.300 2.980 2.974 2.990 . 0 0 "[ . 1 . 2]" 1
492 1 48 ASP H 1 48 ASP QB 2.700 . 3.300 2.352 2.164 2.657 . 0 0 "[ . 1 . 2]" 1
493 1 48 ASP H 1 49 ASP H 3.870 . 5.000 4.308 4.228 4.393 . 0 0 "[ . 1 . 2]" 1
494 1 48 ASP H 1 52 ALA MB 3.580 . 6.000 3.379 2.968 3.864 . 0 0 "[ . 1 . 2]" 1
495 1 1 ALA HA 1 49 ASP H 4.040 . 5.000 3.374 2.797 4.505 . 0 0 "[ . 1 . 2]" 1
496 1 1 ALA MB 1 49 ASP H 3.400 . 7.000 2.751 2.022 3.281 . 0 0 "[ . 1 . 2]" 1
497 1 2 THR HA 1 49 ASP H 3.350 . 5.000 3.008 2.123 3.493 . 0 0 "[ . 1 . 2]" 1
498 1 3 GLN QB 1 49 ASP H 3.730 . 6.000 4.809 4.477 5.336 . 0 0 "[ . 1 . 2]" 1
499 1 3 GLN QG 1 49 ASP H 3.680 . 7.000 3.291 2.926 4.048 . 0 0 "[ . 1 . 2]" 1
500 1 47 PHE QD 1 49 ASP H 3.730 . 5.000 3.335 3.097 3.542 . 0 0 "[ . 1 . 2]" 1
501 1 47 PHE QE 1 49 ASP H 3.940 . 5.000 3.375 3.200 3.624 . 0 0 "[ . 1 . 2]" 1
502 1 48 ASP HA 1 49 ASP H 2.330 . 2.700 2.216 2.199 2.232 . 0 0 "[ . 1 . 2]" 1
503 1 48 ASP QB 1 49 ASP H 3.410 . 6.000 3.539 3.361 3.789 . 0 0 "[ . 1 . 2]" 1
504 1 49 ASP H 1 49 ASP HA 2.980 . 3.300 2.859 2.825 2.897 . 0 0 "[ . 1 . 2]" 1
505 1 49 ASP H 1 49 ASP QB 3.110 . 3.900 2.068 1.949 2.253 . 0 0 "[ . 1 . 2]" 1
506 1 49 ASP H 1 51 LYS H 3.730 . 5.000 4.635 4.480 4.866 . 0 0 "[ . 1 . 2]" 1
507 1 47 PHE QD 1 50 THR H 4.530 . 5.000 4.501 4.356 4.589 . 0 0 "[ . 1 . 2]" 1
508 1 47 PHE QE 1 50 THR H 4.740 . 5.000 4.984 4.863 5.022 0.022 5 0 "[ . 1 . 2]" 1
509 1 48 ASP QB 1 50 THR H 4.470 . 6.000 2.720 2.515 2.995 . 0 0 "[ . 1 . 2]" 1
510 1 49 ASP HA 1 50 THR H 3.330 . 5.000 3.362 3.228 3.427 . 0 0 "[ . 1 . 2]" 1
511 1 49 ASP QB 1 50 THR H 4.200 . 6.000 3.585 3.296 3.947 . 0 0 "[ . 1 . 2]" 1
512 1 50 THR H 1 50 THR HA 2.940 . 3.300 2.896 2.846 2.949 . 0 0 "[ . 1 . 2]" 1
513 1 50 THR H 1 50 THR HB 3.400 . 5.000 3.007 2.272 3.558 . 0 0 "[ . 1 . 2]" 1
514 1 50 THR H 1 50 THR MG 2.600 . 3.700 2.376 1.921 2.927 . 0 0 "[ . 1 . 2]" 1
515 1 50 THR H 1 51 LYS H 2.630 . 2.700 2.547 2.332 2.708 0.008 1 0 "[ . 1 . 2]" 1
516 1 50 THR H 1 51 LYS QB 3.810 . 6.000 4.380 4.171 4.616 . 0 0 "[ . 1 . 2]" 1
517 1 50 THR H 1 52 ALA H 3.310 . 5.000 3.722 3.282 4.074 . 0 0 "[ . 1 . 2]" 1
518 1 30 GLY HA3 1 51 LYS H 4.190 . 5.000 3.895 3.333 4.565 . 0 0 "[ . 1 . 2]" 1
519 1 47 PHE QD 1 51 LYS H 4.310 . 5.000 4.520 4.361 4.731 . 0 0 "[ . 1 . 2]" 1
520 1 48 ASP QB 1 51 LYS H 3.790 . 6.000 3.213 2.606 4.026 . 0 0 "[ . 1 . 2]" 1
521 1 49 ASP HA 1 51 LYS H 3.460 . 5.000 3.784 3.302 4.130 . 0 0 "[ . 1 . 2]" 1
522 1 49 ASP QB 1 51 LYS H 4.780 . 6.000 5.043 4.701 5.390 . 0 0 "[ . 1 . 2]" 1
523 1 50 THR HB 1 51 LYS H 3.890 . 5.000 3.799 3.443 4.090 . 0 0 "[ . 1 . 2]" 1
524 1 51 LYS H 1 51 LYS HA 2.800 . 3.300 2.997 2.980 3.005 . 0 0 "[ . 1 . 2]" 1
525 1 51 LYS H 1 51 LYS QG 2.980 . 4.300 3.569 3.120 3.917 . 0 0 "[ . 1 . 2]" 1
526 1 51 LYS H 1 52 ALA HA 3.890 . 5.000 4.708 4.595 4.868 . 0 0 "[ . 1 . 2]" 1
527 1 51 LYS H 1 52 ALA H 2.500 . 2.700 1.931 1.869 2.326 0.031 2 0 "[ . 1 . 2]" 1
528 1 28 VAL QG 1 52 ALA H 4.180 . 7.400 5.222 4.665 5.514 . 0 0 "[ . 1 . 2]" 1
529 1 30 GLY HA3 1 52 ALA H 4.030 . 5.000 3.663 2.720 4.583 . 0 0 "[ . 1 . 2]" 1
530 1 47 PHE QD 1 52 ALA H 3.480 . 5.000 3.698 3.457 4.070 . 0 0 "[ . 1 . 2]" 1
531 1 47 PHE QE 1 52 ALA H 4.180 . 5.000 4.530 4.113 4.783 . 0 0 "[ . 1 . 2]" 1
532 1 48 ASP QB 1 52 ALA H 3.990 . 6.000 4.134 3.854 4.831 . 0 0 "[ . 1 . 2]" 1
533 1 49 ASP HA 1 52 ALA H 3.110 . 3.300 3.090 2.749 3.320 0.020 9 0 "[ . 1 . 2]" 1
534 1 51 LYS HA 1 52 ALA H 3.040 . 3.300 3.388 3.087 3.518 0.218 14 0 "[ . 1 . 2]" 1
535 1 51 LYS QB 1 52 ALA H 2.940 . 4.300 3.083 2.445 3.664 . 0 0 "[ . 1 . 2]" 1
536 1 52 ALA H 1 52 ALA HA 2.970 . 3.300 2.976 2.909 3.004 . 0 0 "[ . 1 . 2]" 1
537 1 52 ALA H 1 52 ALA MB 2.620 . 3.700 2.482 2.168 2.712 . 0 0 "[ . 1 . 2]" 1
538 1 52 ALA H 1 53 SER H 3.930 . 5.000 4.375 4.327 4.434 . 0 0 "[ . 1 . 2]" 1
539 1 53 SER HA 1 57 LEU QD 3.360 . 5.600 3.811 3.692 3.978 . 0 0 "[ . 1 . 2]" 1
540 1 28 VAL QG 1 53 SER H 4.250 . 7.400 3.555 3.246 3.892 . 0 0 "[ . 1 . 2]" 1
541 1 47 PHE QD 1 53 SER H 4.110 . 7.000 4.183 3.899 4.579 . 0 0 "[ . 1 . 2]" 1
542 1 47 PHE QE 1 53 SER H 4.140 . 7.000 4.103 3.633 4.475 . 0 0 "[ . 1 . 2]" 1
543 1 52 ALA HA 1 53 SER H 2.450 . 2.700 2.720 2.658 2.761 0.061 12 0 "[ . 1 . 2]" 1
544 1 52 ALA MB 1 53 SER H 2.510 . 3.700 2.107 1.918 2.246 . 0 0 "[ . 1 . 2]" 1
545 1 53 SER H 1 53 SER HA 2.940 . 3.300 2.871 2.863 2.912 . 0 0 "[ . 1 . 2]" 1
546 1 53 SER H 1 53 SER QB 3.180 . 3.900 3.019 2.844 3.405 . 0 0 "[ . 1 . 2]" 1
547 1 53 SER H 1 54 VAL QG 4.430 . 7.400 4.873 4.690 5.129 . 0 0 "[ . 1 . 2]" 1
548 1 53 SER H 1 54 VAL H 4.110 . 5.000 4.311 4.272 4.354 . 0 0 "[ . 1 . 2]" 1
549 1 53 SER H 1 55 GLN QB 4.020 . 6.000 5.078 4.748 5.233 . 0 0 "[ . 1 . 2]" 1
550 1 53 SER H 1 56 LYS QB 2.520 . 3.700 1.958 1.826 2.110 0.074 6 0 "[ . 1 . 2]" 1
551 1 53 SER H 1 56 LYS QE 3.920 . 6.000 5.002 4.010 5.406 . 0 0 "[ . 1 . 2]" 1
552 1 53 SER H 1 56 LYS H 3.280 . 3.300 3.284 3.028 3.337 0.037 3 0 "[ . 1 . 2]" 1
553 1 53 SER H 1 57 LEU QB 4.430 . 6.000 5.295 5.217 5.338 . 0 0 "[ . 1 . 2]" 1
554 1 53 SER H 1 57 LEU QD 4.320 . 6.000 3.304 3.183 3.506 . 0 0 "[ . 1 . 2]" 1
555 1 53 SER H 1 57 LEU HG 2.940 . 3.300 3.324 3.245 3.376 0.076 16 0 "[ . 1 . 2]" 1
556 1 53 SER H 1 57 LEU H 3.570 . 5.000 3.803 3.705 3.899 . 0 0 "[ . 1 . 2]" 1
557 1 54 VAL HA 1 57 LEU QD 2.270 . 3.700 1.747 1.724 1.772 0.176 6 0 "[ . 1 . 2]" 1
558 1 47 PHE QE 1 54 VAL H 4.110 . 7.000 3.260 3.186 3.357 . 0 0 "[ . 1 . 2]" 1
559 1 47 PHE HZ 1 54 VAL H 4.130 . 5.000 2.195 2.025 2.351 . 0 0 "[ . 1 . 2]" 1
560 1 53 SER HA 1 54 VAL H 2.710 . 3.300 2.359 2.310 2.419 . 0 0 "[ . 1 . 2]" 1
561 1 53 SER QB 1 54 VAL H 3.120 . 4.300 3.088 2.570 3.555 . 0 0 "[ . 1 . 2]" 1
562 1 54 VAL H 1 54 VAL HB 2.870 . 3.300 2.960 2.250 3.499 0.199 15 0 "[ . 1 . 2]" 1
563 1 54 VAL H 1 54 VAL QG 3.290 . 5.000 1.877 1.706 2.291 0.194 15 0 "[ . 1 . 2]" 1
564 1 54 VAL H 1 55 GLN H 4.140 . 5.000 2.931 2.865 3.006 . 0 0 "[ . 1 . 2]" 1
565 1 54 VAL H 1 56 LYS H 4.530 . 5.000 4.429 4.327 4.592 . 0 0 "[ . 1 . 2]" 1
566 1 54 VAL H 1 57 LEU QD 4.230 . 6.000 3.215 3.097 3.375 . 0 0 "[ . 1 . 2]" 1
567 1 54 VAL H 1 57 LEU HG 4.850 . 5.000 4.129 4.072 4.218 . 0 0 "[ . 1 . 2]" 1
568 1 53 SER QB 1 55 GLN H 3.830 . 6.000 2.674 2.348 3.290 . 0 0 "[ . 1 . 2]" 1
569 1 54 VAL HA 1 55 GLN H 4.250 . 5.000 3.554 3.519 3.577 . 0 0 "[ . 1 . 2]" 1
570 1 54 VAL QG 1 55 GLN H 3.810 . 7.400 1.901 1.750 3.239 0.150 17 0 "[ . 1 . 2]" 1
571 1 55 GLN H 1 55 GLN QB 3.020 . 4.300 2.058 1.936 2.169 . 0 0 "[ . 1 . 2]" 1
572 1 55 GLN H 1 55 GLN QG 3.920 . 6.000 3.855 3.755 3.985 . 0 0 "[ . 1 . 2]" 1
573 1 55 GLN H 1 56 LYS QB 4.530 . 6.000 4.370 4.175 4.793 . 0 0 "[ . 1 . 2]" 1
574 1 55 GLN H 1 56 LYS H 3.420 . 5.000 2.700 2.621 2.807 . 0 0 "[ . 1 . 2]" 1
575 1 55 GLN H 1 57 LEU H 4.290 . 5.000 3.925 3.809 4.007 . 0 0 "[ . 1 . 2]" 1
576 1 28 VAL QG 1 56 LYS H 4.080 . 7.400 4.583 4.238 4.854 . 0 0 "[ . 1 . 2]" 1
577 1 52 ALA HA 1 56 LYS H 4.250 . 5.000 4.994 4.739 5.062 0.062 2 0 "[ . 1 . 2]" 1
578 1 53 SER QB 1 56 LYS H 3.830 . 6.000 2.790 2.376 3.539 . 0 0 "[ . 1 . 2]" 1
579 1 54 VAL HA 1 56 LYS H 4.220 . 5.000 4.575 4.493 4.710 . 0 0 "[ . 1 . 2]" 1
580 1 54 VAL QG 1 56 LYS H 4.250 . 7.400 3.989 3.874 4.709 . 0 0 "[ . 1 . 2]" 1
581 1 55 GLN HA 1 56 LYS H 3.400 . 5.000 3.574 3.565 3.584 . 0 0 "[ . 1 . 2]" 1
582 1 55 GLN QB 1 56 LYS H 3.180 . 4.300 2.373 2.274 2.506 . 0 0 "[ . 1 . 2]" 1
583 1 55 GLN QG 1 56 LYS H 4.070 . 6.000 3.869 3.118 4.215 . 0 0 "[ . 1 . 2]" 1
584 1 56 LYS H 1 56 LYS HA 2.840 . 3.300 2.859 2.842 2.872 . 0 0 "[ . 1 . 2]" 1
585 1 56 LYS H 1 56 LYS QB 2.580 . 3.700 2.096 1.920 2.555 . 0 0 "[ . 1 . 2]" 1
586 1 56 LYS H 1 56 LYS QD 3.030 . 4.300 3.526 2.888 3.931 . 0 0 "[ . 1 . 2]" 1
587 1 56 LYS H 1 56 LYS QE 4.400 . 6.000 4.341 3.040 5.230 . 0 0 "[ . 1 . 2]" 1
588 1 56 LYS H 1 56 LYS QG 3.380 . 6.000 3.056 1.909 3.839 . 0 0 "[ . 1 . 2]" 1
589 1 56 LYS H 1 57 LEU QB 3.160 . 6.000 4.824 4.745 4.882 . 0 0 "[ . 1 . 2]" 1
590 1 56 LYS H 1 57 LEU QD 4.330 . 6.000 4.323 4.275 4.368 . 0 0 "[ . 1 . 2]" 1
591 1 56 LYS H 1 57 LEU HG 3.420 . 5.000 3.800 3.728 3.847 . 0 0 "[ . 1 . 2]" 1
592 1 56 LYS H 1 57 LEU H 2.740 . 3.300 2.701 2.672 2.748 . 0 0 "[ . 1 . 2]" 1
593 1 7 LEU MD1 1 57 LEU H 4.810 . 6.000 4.817 4.685 4.937 . 0 0 "[ . 1 . 2]" 1
594 1 7 LEU MD2 1 57 LEU H 3.980 . 6.000 4.366 4.178 4.565 . 0 0 "[ . 1 . 2]" 1
595 1 28 VAL QG 1 57 LEU H 3.440 . 7.400 3.648 3.210 3.932 . 0 0 "[ . 1 . 2]" 1
596 1 52 ALA MB 1 57 LEU H 3.900 . 6.000 4.801 4.659 4.901 . 0 0 "[ . 1 . 2]" 1
597 1 53 SER QB 1 57 LEU H 4.490 . 6.000 4.690 4.453 5.115 . 0 0 "[ . 1 . 2]" 1
598 1 54 VAL HA 1 57 LEU H 3.190 . 3.300 3.372 3.342 3.426 0.126 20 0 "[ . 1 . 2]" 1
599 1 54 VAL QG 1 57 LEU H 3.640 . 7.400 4.185 3.995 4.347 . 0 0 "[ . 1 . 2]" 1
600 1 55 GLN HA 1 57 LEU H 3.520 . 5.000 4.096 3.982 4.184 . 0 0 "[ . 1 . 2]" 1
601 1 56 LYS QB 1 57 LEU H 2.960 . 4.300 2.921 2.801 3.030 . 0 0 "[ . 1 . 2]" 1
602 1 56 LYS QD 1 57 LEU H 4.270 . 6.000 5.133 4.650 5.348 . 0 0 "[ . 1 . 2]" 1
603 1 57 LEU H 1 57 LEU HA 2.910 . 3.300 2.909 2.881 2.925 . 0 0 "[ . 1 . 2]" 1
604 1 57 LEU H 1 57 LEU QB 2.760 . 4.300 2.466 2.449 2.490 . 0 0 "[ . 1 . 2]" 1
605 1 57 LEU H 1 57 LEU QD 3.170 . 4.300 2.905 2.872 2.938 . 0 0 "[ . 1 . 2]" 1
606 1 57 LEU H 1 57 LEU HG 2.520 . 2.700 1.856 1.842 1.873 0.058 18 0 "[ . 1 . 2]" 1
607 1 57 LEU H 1 58 THR HB 4.680 . 5.000 4.855 4.494 5.021 0.021 17 0 "[ . 1 . 2]" 1
608 1 57 LEU H 1 58 THR H 2.790 . 3.300 2.643 2.562 2.716 . 0 0 "[ . 1 . 2]" 1
609 1 7 LEU MD1 1 58 THR H 4.250 . 6.000 3.315 3.135 3.433 . 0 0 "[ . 1 . 2]" 1
610 1 7 LEU MD2 1 58 THR H 4.010 . 6.000 2.698 2.387 2.927 . 0 0 "[ . 1 . 2]" 1
611 1 28 VAL QG 1 58 THR H 4.110 . 7.400 4.879 4.453 5.243 . 0 0 "[ . 1 . 2]" 1
612 1 54 VAL HA 1 58 THR H 3.750 . 5.000 4.227 4.048 4.389 . 0 0 "[ . 1 . 2]" 1
613 1 54 VAL QG 1 58 THR H 3.440 . 7.400 4.317 3.690 4.864 . 0 0 "[ . 1 . 2]" 1
614 1 56 LYS H 1 58 THR H 3.590 . 5.000 4.635 4.498 4.755 . 0 0 "[ . 1 . 2]" 1
615 1 57 LEU HA 1 58 THR H 3.430 . 5.000 3.568 3.559 3.576 . 0 0 "[ . 1 . 2]" 1
616 1 57 LEU QB 1 58 THR H 2.810 . 4.300 2.134 2.050 2.208 . 0 0 "[ . 1 . 2]" 1
617 1 57 LEU QD 1 58 THR H 3.660 . 6.000 3.732 3.622 3.788 . 0 0 "[ . 1 . 2]" 1
618 1 57 LEU HG 1 58 THR H 3.380 . 5.000 3.873 3.816 3.912 . 0 0 "[ . 1 . 2]" 1
619 1 58 THR H 1 58 THR HB 3.310 . 5.000 2.665 2.201 2.856 . 0 0 "[ . 1 . 2]" 1
620 1 58 THR H 1 59 LYS H 2.800 . 3.300 2.526 2.477 2.578 . 0 0 "[ . 1 . 2]" 1
621 1 59 LYS HA 1 62 ALA MB 2.170 . 3.700 1.845 1.802 2.016 0.098 19 0 "[ . 1 . 2]" 1
622 1 28 VAL QG 1 59 LYS H 4.620 . 7.400 4.360 4.057 4.677 . 0 0 "[ . 1 . 2]" 1
623 1 55 GLN QG 1 59 LYS H 4.370 . 6.000 4.776 4.354 5.136 . 0 0 "[ . 1 . 2]" 1
624 1 56 LYS HA 1 59 LYS H 3.200 . 3.300 3.316 3.227 3.382 0.082 12 0 "[ . 1 . 2]" 1
625 1 58 THR HB 1 59 LYS H 3.450 . 5.000 3.008 2.881 3.093 . 0 0 "[ . 1 . 2]" 1
626 1 58 THR MG 1 59 LYS H 3.430 . 6.000 4.042 3.526 4.207 . 0 0 "[ . 1 . 2]" 1
627 1 59 LYS H 1 59 LYS QE 4.770 . 6.000 4.785 3.282 5.414 . 0 0 "[ . 1 . 2]" 1
628 1 59 LYS H 1 59 LYS QG 3.070 . 4.300 3.736 2.863 3.965 . 0 0 "[ . 1 . 2]" 1
629 1 59 LYS H 1 60 ALA H . . 2.700 2.337 2.283 2.390 . 0 0 "[ . 1 . 2]" 1
630 1 60 ALA HA 1 63 ASP QB 2.690 . 3.700 2.581 2.364 2.830 . 0 0 "[ . 1 . 2]" 1
631 1 28 VAL QG 1 60 ALA H 3.470 . 7.400 3.285 2.946 3.544 . 0 0 "[ . 1 . 2]" 1
632 1 57 LEU HA 1 60 ALA H 3.050 . 3.300 3.282 3.231 3.327 0.027 18 0 "[ . 1 . 2]" 1
633 1 57 LEU QD 1 60 ALA H 4.280 . 6.000 4.752 4.690 4.813 . 0 0 "[ . 1 . 2]" 1
634 1 58 THR HB 1 60 ALA H 4.160 . 5.000 5.036 5.003 5.057 0.057 17 0 "[ . 1 . 2]" 1
635 1 58 THR H 1 60 ALA H 3.670 . 5.000 4.040 3.983 4.092 . 0 0 "[ . 1 . 2]" 1
636 1 60 ALA H 1 60 ALA MB 2.240 . 3.700 2.000 1.933 2.171 . 0 0 "[ . 1 . 2]" 1
637 1 60 ALA H 1 61 THR HB 4.180 . 5.000 4.956 4.897 5.075 0.075 15 0 "[ . 1 . 2]" 1
638 1 60 ALA H 1 61 THR H 2.690 . 2.700 2.578 2.442 2.666 . 0 0 "[ . 1 . 2]" 1
639 1 60 ALA H 1 63 ASP H 4.260 . 5.000 4.407 4.251 4.493 . 0 0 "[ . 1 . 2]" 1
640 1 28 VAL QG 1 61 THR H 3.340 . 7.400 4.685 4.185 5.182 . 0 0 "[ . 1 . 2]" 1
641 1 58 THR H 1 61 THR H 4.260 . 5.000 5.095 5.068 5.113 0.113 8 0 "[ . 1 . 2]" 1
642 1 60 ALA MB 1 61 THR H 2.630 . 3.700 2.531 2.398 2.616 . 0 0 "[ . 1 . 2]" 1
643 1 61 THR H 1 61 THR HA 2.920 . 3.300 2.936 2.925 2.950 . 0 0 "[ . 1 . 2]" 1
644 1 61 THR H 1 61 THR HB 3.350 . 5.000 2.508 2.436 2.757 . 0 0 "[ . 1 . 2]" 1
645 1 61 THR H 1 61 THR MG 2.470 . 3.700 1.851 1.762 1.943 0.138 15 0 "[ . 1 . 2]" 1
646 1 61 THR H 1 62 ALA HA 4.380 . 5.000 5.080 5.044 5.100 0.100 8 0 "[ . 1 . 2]" 1
647 1 61 THR H 1 62 ALA MB 3.360 . 6.000 3.914 3.876 3.968 . 0 0 "[ . 1 . 2]" 1
648 1 61 THR H 1 62 ALA H 2.670 . 2.700 2.365 2.310 2.396 . 0 0 "[ . 1 . 2]" 1
649 1 61 THR H 1 63 ASP H 3.830 . 5.000 3.677 3.583 3.803 . 0 0 "[ . 1 . 2]" 1
650 1 7 LEU MD2 1 62 ALA H 4.520 . 6.000 4.882 4.817 4.944 . 0 0 "[ . 1 . 2]" 1
651 1 59 LYS HA 1 62 ALA H 3.080 . 3.300 3.311 3.218 3.344 0.044 9 0 "[ . 1 . 2]" 1
652 1 60 ALA H 1 62 ALA H 3.780 . 5.000 3.738 3.616 3.865 . 0 0 "[ . 1 . 2]" 1
653 1 61 THR HA 1 62 ALA H 3.370 . 5.000 3.530 3.517 3.541 . 0 0 "[ . 1 . 2]" 1
654 1 61 THR HB 1 62 ALA H 3.520 . 5.000 3.764 3.692 3.954 . 0 0 "[ . 1 . 2]" 1
655 1 61 THR MG 1 62 ALA H 3.240 . 4.300 1.840 1.787 1.912 0.113 14 0 "[ . 1 . 2]" 1
656 1 62 ALA H 1 62 ALA HA 2.780 . 3.300 2.851 2.830 2.877 . 0 0 "[ . 1 . 2]" 1
657 1 62 ALA H 1 62 ALA MB 2.360 . 3.700 2.113 2.029 2.155 . 0 0 "[ . 1 . 2]" 1
658 1 62 ALA H 1 63 ASP QB 4.040 . 6.000 4.270 4.180 4.334 . 0 0 "[ . 1 . 2]" 1
659 1 62 ALA H 1 63 ASP H 3.050 . 3.300 2.560 2.479 2.653 . 0 0 "[ . 1 . 2]" 1
660 1 62 ALA H 1 64 ALA MB 3.940 . 6.000 4.480 4.338 4.620 . 0 0 "[ . 1 . 2]" 1
661 1 62 ALA H 1 64 ALA H 4.060 . 5.000 3.826 3.709 3.904 . 0 0 "[ . 1 . 2]" 1
662 1 62 ALA H 1 66 TYR QB 4.180 . 6.000 4.746 4.286 5.035 . 0 0 "[ . 1 . 2]" 1
663 1 62 ALA H 1 68 SER QB 4.480 . 6.000 4.288 3.414 4.773 . 0 0 "[ . 1 . 2]" 1
664 1 62 ALA H 1 68 SER H 3.980 . 5.000 4.173 3.909 4.519 . 0 0 "[ . 1 . 2]" 1
665 1 59 LYS QB 1 63 ASP H 4.530 . 6.000 5.009 4.713 5.245 . 0 0 "[ . 1 . 2]" 1
666 1 59 LYS QG 1 63 ASP H 3.400 . 6.000 4.574 4.106 5.338 . 0 0 "[ . 1 . 2]" 1
667 1 60 ALA HA 1 63 ASP H 3.000 . 3.300 3.427 3.408 3.447 0.147 17 0 "[ . 1 . 2]" 1
668 1 61 THR HA 1 63 ASP H 4.030 . 5.000 3.837 3.731 3.930 . 0 0 "[ . 1 . 2]" 1
669 1 62 ALA HA 1 63 ASP H 3.650 . 5.000 3.504 3.478 3.533 . 0 0 "[ . 1 . 2]" 1
670 1 62 ALA MB 1 63 ASP H 2.580 . 3.700 2.707 2.600 2.801 . 0 0 "[ . 1 . 2]" 1
671 1 63 ASP H 1 63 ASP HA 2.740 . 3.300 2.952 2.928 2.962 . 0 0 "[ . 1 . 2]" 1
672 1 63 ASP H 1 63 ASP QB 2.560 . 3.700 2.147 2.008 2.246 . 0 0 "[ . 1 . 2]" 1
673 1 63 ASP H 1 64 ALA HA 4.250 . 5.000 4.959 4.883 5.026 0.026 19 0 "[ . 1 . 2]" 1
674 1 63 ASP H 1 64 ALA MB 3.550 . 6.000 3.823 3.727 3.941 . 0 0 "[ . 1 . 2]" 1
675 1 63 ASP H 1 64 ALA H 2.820 . 3.300 2.273 2.231 2.320 . 0 0 "[ . 1 . 2]" 1
676 1 64 ALA HA 1 66 TYR HD2 3.450 . 5.000 4.999 4.906 5.022 0.022 13 0 "[ . 1 . 2]" 1
677 1 24 ALA MB 1 64 ALA H 3.430 . 6.000 3.762 3.407 4.040 . 0 0 "[ . 1 . 2]" 1
678 1 60 ALA HA 1 64 ALA H 4.100 . 5.000 4.424 4.335 4.522 . 0 0 "[ . 1 . 2]" 1
679 1 60 ALA MB 1 64 ALA H 3.500 . 6.000 4.852 4.789 4.936 . 0 0 "[ . 1 . 2]" 1
680 1 61 THR HA 1 64 ALA H 3.140 . 3.300 2.849 2.821 2.888 . 0 0 "[ . 1 . 2]" 1
681 1 61 THR HB 1 64 ALA H 3.970 . 5.000 5.137 5.107 5.163 0.163 19 0 "[ . 1 . 2]" 1
682 1 61 THR MG 1 64 ALA H 4.160 . 6.000 4.442 4.388 4.556 . 0 0 "[ . 1 . 2]" 1
683 1 62 ALA HA 1 64 ALA H 3.720 . 5.000 4.129 4.018 4.225 . 0 0 "[ . 1 . 2]" 1
684 1 62 ALA MB 1 64 ALA H 3.490 . 6.000 4.345 4.241 4.420 . 0 0 "[ . 1 . 2]" 1
685 1 63 ASP HA 1 64 ALA H 3.310 . 5.000 3.478 3.438 3.506 . 0 0 "[ . 1 . 2]" 1
686 1 63 ASP QB 1 64 ALA H 3.060 . 4.300 2.948 2.811 3.087 . 0 0 "[ . 1 . 2]" 1
687 1 64 ALA H 1 64 ALA MB 2.340 . 3.700 2.053 1.921 2.167 . 0 0 "[ . 1 . 2]" 1
688 1 64 ALA H 1 65 GLY HA3 3.820 . 5.000 5.131 5.105 5.152 0.152 13 0 "[ . 1 . 2]" 1
689 1 64 ALA H 1 65 GLY HA2 3.550 . 5.000 4.857 4.818 4.891 . 0 0 "[ . 1 . 2]" 1
690 1 64 ALA H 1 65 GLY H 2.930 . 3.300 2.407 2.369 2.444 . 0 0 "[ . 1 . 2]" 1
691 1 64 ALA H 1 66 TYR HD2 4.690 . 5.000 4.481 4.345 4.644 . 0 0 "[ . 1 . 2]" 1
692 1 64 ALA H 1 66 TYR H 3.670 . 5.000 3.537 3.476 3.583 . 0 0 "[ . 1 . 2]" 1
693 1 62 ALA HA 1 65 GLY H 3.400 . 5.000 3.734 3.455 3.904 . 0 0 "[ . 1 . 2]" 1
694 1 62 ALA MB 1 65 GLY H 3.870 . 6.000 4.697 4.472 4.812 . 0 0 "[ . 1 . 2]" 1
695 1 63 ASP HA 1 65 GLY H 3.760 . 5.000 3.635 3.561 3.696 . 0 0 "[ . 1 . 2]" 1
696 1 63 ASP H 1 65 GLY H 3.920 . 5.000 3.817 3.742 3.908 . 0 0 "[ . 1 . 2]" 1
697 1 64 ALA HA 1 65 GLY H 3.290 . 5.000 3.432 3.405 3.454 . 0 0 "[ . 1 . 2]" 1
698 1 64 ALA MB 1 65 GLY H 3.170 . 4.300 2.935 2.800 3.048 . 0 0 "[ . 1 . 2]" 1
699 1 65 GLY H 1 65 GLY HA3 2.900 . 3.300 2.979 2.972 2.985 . 0 0 "[ . 1 . 2]" 1
700 1 65 GLY H 1 65 GLY HA2 2.690 . 3.300 2.482 2.441 2.513 . 0 0 "[ . 1 . 2]" 1
701 1 65 GLY H 1 66 TYR HA 4.170 . 5.000 4.753 4.707 4.825 . 0 0 "[ . 1 . 2]" 1
702 1 65 GLY H 1 66 TYR QB 4.620 . 6.000 4.098 3.956 4.229 . 0 0 "[ . 1 . 2]" 1
703 1 65 GLY H 1 66 TYR HD2 4.060 . 5.000 4.378 4.180 4.670 . 0 0 "[ . 1 . 2]" 1
704 1 65 GLY H 1 66 TYR H 2.730 . 3.300 1.938 1.885 2.035 0.015 7 0 "[ . 1 . 2]" 1
705 1 9 VAL QG 1 66 TYR HA 3.150 . 5.700 3.422 3.089 3.606 . 0 0 "[ . 1 . 2]" 1
706 1 21 VAL QG 1 66 TYR HA 3.510 . 7.400 4.917 4.468 5.291 . 0 0 "[ . 1 . 2]" 1
707 1 66 TYR HA 1 66 TYR QB 3.050 . 4.300 2.342 2.306 2.392 . 0 0 "[ . 1 . 2]" 1
708 1 66 TYR HA 1 66 TYR HD1 2.860 . 3.300 2.101 1.873 2.355 0.027 6 0 "[ . 1 . 2]" 1
709 1 66 TYR QB 1 66 TYR QD 2.520 . 5.700 2.210 2.183 2.238 . 0 0 "[ . 1 . 2]" 1
710 1 65 GLY HA2 1 66 TYR HD1 3.340 . 5.000 5.083 5.011 5.139 0.139 19 0 "[ . 1 . 2]" 1
711 1 21 VAL HA 1 66 TYR HD2 3.310 . 5.100 3.534 2.919 4.001 . 0 0 "[ . 1 . 2]" 1
712 1 61 THR HA 1 66 TYR HD2 2.810 . 3.300 3.365 3.257 3.415 0.115 6 0 "[ . 1 . 2]" 1
713 1 21 VAL QG 1 66 TYR HE2 2.700 . 5.700 3.561 3.350 3.776 . 0 0 "[ . 1 . 2]" 1
714 1 9 VAL QG 1 66 TYR H 4.090 . 7.400 4.253 3.947 4.599 . 0 0 "[ . 1 . 2]" 1
715 1 21 VAL QG 1 66 TYR H 4.190 . 7.400 4.746 4.448 5.056 . 0 0 "[ . 1 . 2]" 1
716 1 61 THR MG 1 66 TYR H 4.480 . 6.000 4.384 4.098 4.840 . 0 0 "[ . 1 . 2]" 1
717 1 62 ALA HA 1 66 TYR H 2.850 . 3.300 2.894 2.411 3.210 . 0 0 "[ . 1 . 2]" 1
718 1 62 ALA MB 1 66 TYR H 3.600 . 6.000 4.451 4.076 4.685 . 0 0 "[ . 1 . 2]" 1
719 1 63 ASP HA 1 66 TYR H 4.230 . 5.000 5.072 5.031 5.117 0.117 3 0 "[ . 1 . 2]" 1
720 1 63 ASP H 1 66 TYR H 4.780 . 5.000 4.551 4.409 4.704 . 0 0 "[ . 1 . 2]" 1
721 1 64 ALA HA 1 66 TYR H 4.240 . 5.000 5.027 4.973 5.068 0.068 19 0 "[ . 1 . 2]" 1
722 1 64 ALA MB 1 66 TYR H 3.300 . 6.000 3.363 3.200 3.575 . 0 0 "[ . 1 . 2]" 1
723 1 65 GLY HA3 1 66 TYR H 3.990 . 5.000 3.483 3.460 3.510 . 0 0 "[ . 1 . 2]" 1
724 1 65 GLY HA2 1 66 TYR H 3.080 . 3.300 2.979 2.885 3.042 . 0 0 "[ . 1 . 2]" 1
725 1 66 TYR H 1 66 TYR QB 3.000 . 3.900 2.645 2.547 2.765 . 0 0 "[ . 1 . 2]" 1
726 1 66 TYR H 1 66 TYR QD 3.020 . 5.300 3.484 3.347 3.667 . 0 0 "[ . 1 . 2]" 1
727 1 66 TYR H 1 66 TYR QE 4.100 . 7.000 4.913 4.743 5.179 . 0 0 "[ . 1 . 2]" 1
728 1 66 TYR H 1 68 SER H 4.580 . 5.000 5.091 5.001 5.161 0.161 19 0 "[ . 1 . 2]" 1
729 1 9 VAL HA 1 68 SER H 3.940 . 5.000 4.283 4.051 4.650 . 0 0 "[ . 1 . 2]" 1
730 1 9 VAL QG 1 68 SER H 4.720 . 7.400 3.612 3.071 4.311 . 0 0 "[ . 1 . 2]" 1
731 1 61 THR MG 1 68 SER H 3.710 . 6.000 2.855 2.535 3.532 . 0 0 "[ . 1 . 2]" 1
732 1 62 ALA HA 1 68 SER H 4.170 . 5.000 3.170 2.896 3.473 . 0 0 "[ . 1 . 2]" 1
733 1 62 ALA MB 1 68 SER H 3.420 . 6.000 2.922 2.497 3.379 . 0 0 "[ . 1 . 2]" 1
734 1 66 TYR QB 1 68 SER H 3.300 . 5.000 4.361 4.280 4.524 . 0 0 "[ . 1 . 2]" 1
735 1 68 SER H 1 68 SER QB 3.810 . 5.600 2.469 2.165 2.848 . 0 0 "[ . 1 . 2]" 1
736 1 68 SER H 1 69 SER H 4.250 . 5.000 4.401 4.303 4.574 . 0 0 "[ . 1 . 2]" 1
737 1 7 LEU HA 1 69 SER H 3.430 . 5.000 4.346 4.102 4.542 . 0 0 "[ . 1 . 2]" 1
738 1 7 LEU MD1 1 69 SER H 3.480 . 6.000 4.719 4.515 4.887 . 0 0 "[ . 1 . 2]" 1
739 1 7 LEU HG 1 69 SER H 3.380 . 5.000 3.672 3.326 4.045 . 0 0 "[ . 1 . 2]" 1
740 1 9 VAL QG 1 69 SER H 3.940 . 7.400 3.993 3.262 4.533 . 0 0 "[ . 1 . 2]" 1
741 1 41 ARG QD 1 69 SER H 3.950 . 6.000 5.429 5.330 5.522 . 0 0 "[ . 1 . 2]" 1
742 1 68 SER HA 1 69 SER H 2.440 . 2.700 2.696 2.319 2.793 0.093 4 0 "[ . 1 . 2]" 1
743 1 68 SER QB 1 69 SER H 2.900 . 4.300 2.404 1.919 3.129 . 0 0 "[ . 1 . 2]" 1
744 1 69 SER H 1 69 SER QB 2.860 . 3.900 2.709 2.471 3.197 . 0 0 "[ . 1 . 2]" 1
745 1 69 SER H 1 70 VAL HA 3.730 . 5.000 4.508 4.334 4.712 . 0 0 "[ . 1 . 2]" 1
746 1 69 SER H 1 70 VAL H 3.770 . 5.000 4.297 4.055 4.415 . 0 0 "[ . 1 . 2]" 1
747 1 69 SER H 1 70 VAL QG 3.890 . 7.400 5.044 4.878 5.148 . 0 0 "[ . 1 . 2]" 1
748 1 69 SER H 1 70 VAL HB 4.260 . 5.000 5.156 5.095 5.194 0.194 10 0 "[ . 1 . 2]" 1
749 1 7 LEU QB 1 69 SER H 3.780 . 7.000 4.346 4.054 4.895 . 0 0 "[ . 1 . 2]" 1
750 1 8 ALA MB 1 69 SER H 2.980 . 5.300 3.174 2.799 3.437 . 0 0 "[ . 1 . 2]" 1
751 1 7 LEU MD1 1 70 VAL H 3.470 . 6.000 4.070 3.700 4.351 . 0 0 "[ . 1 . 2]" 1
752 1 8 ALA H 1 70 VAL H 4.120 . 5.000 4.524 3.981 4.784 . 0 0 "[ . 1 . 2]" 1
753 1 58 THR MG 1 70 VAL H 3.300 . 4.300 3.141 2.150 3.470 . 0 0 "[ . 1 . 2]" 1
754 1 69 SER HA 1 70 VAL H 2.530 . 2.700 2.587 2.238 2.762 0.062 8 0 "[ . 1 . 2]" 1
755 1 69 SER QB 1 70 VAL H 2.710 . 4.300 2.721 2.091 3.862 . 0 0 "[ . 1 . 2]" 1
756 1 70 VAL H 1 70 VAL HA 2.930 . 3.300 2.973 2.942 2.988 . 0 0 "[ . 1 . 2]" 1
757 1 70 VAL H 1 70 VAL HB 2.490 . 2.700 2.814 2.666 2.893 0.193 9 0 "[ . 1 . 2]" 1
758 1 70 VAL H 1 70 VAL QG 2.420 . 4.400 2.096 1.815 2.306 0.085 16 0 "[ . 1 . 2]" 1
759 1 70 VAL H 1 71 LYS HA 4.340 . 5.000 5.013 4.870 5.222 0.222 19 0 "[ . 1 . 2]" 1
760 1 5 VAL HA 1 71 LYS H 3.810 . 5.000 5.206 5.139 5.318 0.318 4 0 "[ . 1 . 2]" 1
761 1 7 LEU HA 1 71 LYS H 2.900 . 3.300 3.374 3.322 3.437 0.137 5 0 "[ . 1 . 2]" 1
762 1 7 LEU MD1 1 71 LYS H 3.210 . 4.300 2.936 2.802 3.065 . 0 0 "[ . 1 . 2]" 1
763 1 7 LEU HG 1 71 LYS H 4.630 . 5.000 5.133 5.045 5.201 0.201 13 0 "[ . 1 . 2]" 1
764 1 7 LEU H 1 71 LYS H 4.420 . 5.000 4.968 4.850 5.060 0.060 5 0 "[ . 1 . 2]" 1
765 1 70 VAL HA 1 71 LYS H 2.400 . 2.700 2.335 2.214 2.398 . 0 0 "[ . 1 . 2]" 1
766 1 70 VAL HB 1 71 LYS H 3.460 . 5.000 4.125 3.906 4.345 . 0 0 "[ . 1 . 2]" 1
767 1 70 VAL QG 1 71 LYS H 2.580 . 5.100 2.044 1.827 2.511 0.073 16 0 "[ . 1 . 2]" 1
768 1 70 VAL H 1 71 LYS H 3.300 . 5.000 4.506 4.406 4.617 . 0 0 "[ . 1 . 2]" 1
769 1 71 LYS H 1 71 LYS HA 2.900 . 3.300 2.964 2.912 2.997 . 0 0 "[ . 1 . 2]" 1
770 1 71 LYS H 1 71 LYS QB 2.800 . 3.900 3.079 2.386 3.325 . 0 0 "[ . 1 . 2]" 1
771 1 71 LYS H 1 71 LYS QD 2.770 . 4.300 3.719 3.260 4.004 . 0 0 "[ . 1 . 2]" 1
772 1 71 LYS H 1 71 LYS QG 3.130 . 4.300 2.350 1.925 3.992 . 0 0 "[ . 1 . 2]" 1
773 1 71 LYS H 1 72 GLN H 3.510 . 5.000 2.694 2.310 3.533 . 0 0 "[ . 1 . 2]" 1
774 1 5 VAL HA 1 72 GLN H 3.670 . 5.000 4.322 3.812 5.050 0.050 3 0 "[ . 1 . 2]" 1
775 1 70 VAL HA 1 72 GLN H 3.930 . 5.000 4.614 4.252 5.046 0.046 12 0 "[ . 1 . 2]" 1
776 1 70 VAL QG 1 72 GLN H 3.350 . 7.400 2.565 1.970 2.949 . 0 0 "[ . 1 . 2]" 1
777 1 71 LYS HA 1 72 GLN H 2.260 . 2.700 2.706 2.423 2.825 0.125 14 0 "[ . 1 . 2]" 1
778 1 71 LYS QB 1 72 GLN H 3.390 . 6.000 4.036 3.979 4.069 . 0 0 "[ . 1 . 2]" 1
779 1 71 LYS QG 1 72 GLN H 3.070 . 4.300 3.724 3.608 3.834 . 0 0 "[ . 1 . 2]" 1
780 1 71 LYS QD 1 72 GLN H 3.520 . 6.000 5.175 4.688 5.459 . 0 0 "[ . 1 . 2]" 1
781 1 72 GLN H 1 72 GLN HA 2.800 . 3.300 2.599 2.367 2.974 . 0 0 "[ . 1 . 2]" 1
782 1 72 GLN H 1 72 GLN QB 2.950 . 3.900 2.637 2.023 3.125 . 0 0 "[ . 1 . 2]" 1
783 1 72 GLN H 1 72 GLN QG 3.040 . 4.300 3.018 1.925 4.038 . 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 56
_Distance_constraint_stats_list.Viol_count 226
_Distance_constraint_stats_list.Viol_total 322.163
_Distance_constraint_stats_list.Viol_max 0.252
_Distance_constraint_stats_list.Viol_rms 0.0369
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.0713
_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 1 ALA 2.519 0.187 17 0 "[ . 1 . 2]"
1 3 GLN 0.833 0.159 20 0 "[ . 1 . 2]"
1 5 VAL 0.019 0.019 6 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.037 0.037 19 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ILE 2.626 0.179 8 0 "[ . 1 . 2]"
1 20 THR 0.141 0.067 5 0 "[ . 1 . 2]"
1 21 VAL 0.315 0.083 14 0 "[ . 1 . 2]"
1 22 LYS 0.106 0.043 2 0 "[ . 1 . 2]"
1 23 LYS 3.327 0.179 8 0 "[ . 1 . 2]"
1 24 ALA 0.226 0.067 5 0 "[ . 1 . 2]"
1 25 LEU 0.315 0.083 14 0 "[ . 1 . 2]"
1 26 SER 0.106 0.043 2 0 "[ . 1 . 2]"
1 27 LYS 0.701 0.060 18 0 "[ . 1 . 2]"
1 28 VAL 0.086 0.032 11 0 "[ . 1 . 2]"
1 33 LYS 1.717 0.120 4 0 "[ . 1 . 2]"
1 35 ASP 0.194 0.102 14 0 "[ . 1 . 2]"
1 37 GLY 4.113 0.252 13 0 "[ . 1 . 2]"
1 42 GLU 4.113 0.252 13 0 "[ . 1 . 2]"
1 43 ALA 0.037 0.037 19 0 "[ . 1 . 2]"
1 44 VAL 0.194 0.102 14 0 "[ . 1 . 2]"
1 45 VAL 0.019 0.019 6 0 "[ . 1 . 2]"
1 46 THR 1.717 0.120 4 0 "[ . 1 . 2]"
1 47 PHE 0.833 0.159 20 0 "[ . 1 . 2]"
1 49 ASP 2.519 0.187 17 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 1.152 0.089 5 0 "[ . 1 . 2]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.024 0.016 19 0 "[ . 1 . 2]"
1 61 THR 2.679 0.113 15 0 "[ . 1 . 2]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.024 0.016 19 0 "[ . 1 . 2]"
1 65 GLY 1.527 0.113 15 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 33 LYS O 1 46 THR N 2.850 2.400 3.300 3.091 3.012 3.313 0.013 12 0 "[ . 1 . 2]" 2
2 1 35 ASP O 1 44 VAL N 2.850 2.400 3.300 2.965 2.825 3.224 . 0 0 "[ . 1 . 2]" 2
3 1 37 GLY O 1 42 GLU N 2.850 2.400 3.300 3.325 3.001 3.491 0.191 5 0 "[ . 1 . 2]" 2
4 1 3 GLN O 1 47 PHE N 2.850 2.400 3.300 2.908 2.801 3.028 . 0 0 "[ . 1 . 2]" 2
5 1 37 GLY N 1 42 GLU O 2.850 2.400 3.300 2.628 2.474 2.846 . 0 0 "[ . 1 . 2]" 2
6 1 7 LEU N 1 43 ALA O 2.850 2.400 3.300 2.549 2.494 2.606 . 0 0 "[ . 1 . 2]" 2
7 1 35 ASP N 1 44 VAL O 2.850 2.400 3.300 2.718 2.451 2.863 . 0 0 "[ . 1 . 2]" 2
8 1 5 VAL N 1 45 VAL O 2.850 2.400 3.300 2.971 2.854 3.136 . 0 0 "[ . 1 . 2]" 2
9 1 33 LYS N 1 46 THR O 2.850 2.400 3.300 3.272 3.189 3.322 0.022 9 0 "[ . 1 . 2]" 2
10 1 3 GLN N 1 47 PHE O 2.850 2.400 3.300 2.923 2.801 3.021 . 0 0 "[ . 1 . 2]" 2
11 1 5 VAL O 1 45 VAL N 2.850 2.400 3.300 2.944 2.897 2.997 . 0 0 "[ . 1 . 2]" 2
12 1 8 ALA N 1 69 SER O 2.850 2.400 3.300 3.001 2.803 3.222 . 0 0 "[ . 1 . 2]" 2
13 1 6 THR O 1 71 LYS N 2.850 2.400 3.300 3.085 3.024 3.261 . 0 0 "[ . 1 . 2]" 2
14 1 7 LEU O 1 43 ALA N 2.850 2.400 3.300 2.988 2.874 3.160 . 0 0 "[ . 1 . 2]" 2
15 1 8 ALA O 1 69 SER N 2.850 2.400 3.300 2.805 2.701 2.919 . 0 0 "[ . 1 . 2]" 2
16 1 1 ALA O 1 49 ASP N 2.850 2.400 3.300 3.095 2.911 3.225 . 0 0 "[ . 1 . 2]" 2
17 1 19 ILE O 1 23 LYS N 2.850 2.400 3.300 3.310 3.198 3.393 0.093 7 0 "[ . 1 . 2]" 2
18 1 20 THR O 1 24 ALA N 2.850 2.400 3.300 3.027 2.852 3.282 . 0 0 "[ . 1 . 2]" 2
19 1 21 VAL O 1 25 LEU N 2.850 2.400 3.300 3.164 2.975 3.336 0.036 14 0 "[ . 1 . 2]" 2
20 1 22 LYS O 1 26 SER N 2.850 2.400 3.300 3.099 2.890 3.307 0.007 2 0 "[ . 1 . 2]" 2
21 1 23 LYS O 1 27 LYS N 2.850 2.400 3.300 2.982 2.785 3.119 . 0 0 "[ . 1 . 2]" 2
22 1 24 ALA O 1 28 VAL N 2.850 2.400 3.300 2.613 2.432 2.805 . 0 0 "[ . 1 . 2]" 2
23 1 56 LYS O 1 60 ALA N 2.850 2.400 3.300 2.838 2.749 3.001 . 0 0 "[ . 1 . 2]" 2
24 1 57 LEU O 1 61 THR N 2.850 2.400 3.300 3.293 3.267 3.325 0.025 5 0 "[ . 1 . 2]" 2
25 1 58 THR O 1 62 ALA N 2.850 2.400 3.300 2.913 2.861 2.966 . 0 0 "[ . 1 . 2]" 2
26 1 59 LYS O 1 63 ASP N 2.850 2.400 3.300 2.775 2.709 2.889 . 0 0 "[ . 1 . 2]" 2
27 1 60 ALA O 1 64 ALA N 2.850 2.400 3.300 2.867 2.755 2.991 . 0 0 "[ . 1 . 2]" 2
28 1 61 THR O 1 65 GLY N 2.850 2.400 3.300 3.082 2.977 3.132 . 0 0 "[ . 1 . 2]" 2
29 1 33 LYS O 1 46 THR H 1.900 . 2.300 2.150 2.072 2.381 0.081 4 0 "[ . 1 . 2]" 2
30 1 35 ASP O 1 44 VAL H 1.900 . 2.300 2.112 2.013 2.402 0.102 14 0 "[ . 1 . 2]" 2
31 1 37 GLY O 1 42 GLU H 1.900 . 2.300 2.451 2.314 2.552 0.252 13 0 "[ . 1 . 2]" 2
32 1 3 GLN O 1 47 PHE H 1.900 . 2.300 2.142 2.019 2.344 0.044 6 0 "[ . 1 . 2]" 2
33 1 37 GLY H 1 42 GLU O 1.900 . 2.300 2.069 1.971 2.304 0.004 14 0 "[ . 1 . 2]" 2
34 1 7 LEU H 1 43 ALA O 1.900 . 2.300 2.013 1.943 2.050 . 0 0 "[ . 1 . 2]" 2
35 1 35 ASP H 1 44 VAL O 1.900 . 2.300 2.069 2.022 2.130 . 0 0 "[ . 1 . 2]" 2
36 1 5 VAL H 1 45 VAL O 1.900 . 2.300 2.145 2.070 2.319 0.019 6 0 "[ . 1 . 2]" 2
37 1 33 LYS H 1 46 THR O 1.900 . 2.300 2.373 2.303 2.420 0.120 4 0 "[ . 1 . 2]" 2
38 1 3 GLN H 1 47 PHE O 1.900 . 2.300 2.326 2.209 2.459 0.159 20 0 "[ . 1 . 2]" 2
39 1 5 VAL O 1 45 VAL H 1.900 . 2.300 2.059 2.017 2.099 . 0 0 "[ . 1 . 2]" 2
40 1 8 ALA H 1 69 SER O 1.900 . 2.300 2.098 2.016 2.298 . 0 0 "[ . 1 . 2]" 2
41 1 6 THR O 1 71 LYS H 1.900 . 2.300 2.135 2.066 2.293 . 0 0 "[ . 1 . 2]" 2
42 1 7 LEU O 1 43 ALA H 1.900 . 2.300 2.143 2.064 2.337 0.037 19 0 "[ . 1 . 2]" 2
43 1 8 ALA O 1 69 SER H 1.900 . 2.300 2.073 2.032 2.115 . 0 0 "[ . 1 . 2]" 2
44 1 1 ALA O 1 49 ASP H 1.900 . 2.300 2.426 2.365 2.487 0.187 17 0 "[ . 1 . 2]" 2
45 1 19 ILE O 1 23 LYS H 1.900 . 2.300 2.411 2.330 2.479 0.179 8 0 "[ . 1 . 2]" 2
46 1 20 THR O 1 24 ALA H 1.900 . 2.300 2.210 2.067 2.367 0.067 5 0 "[ . 1 . 2]" 2
47 1 21 VAL O 1 25 LEU H 1.900 . 2.300 2.217 2.087 2.383 0.083 14 0 "[ . 1 . 2]" 2
48 1 22 LYS O 1 26 SER H 1.900 . 2.300 2.202 2.077 2.343 0.043 2 0 "[ . 1 . 2]" 2
49 1 23 LYS O 1 27 LYS H 1.900 . 2.300 2.327 2.204 2.360 0.060 18 0 "[ . 1 . 2]" 2
50 1 24 ALA O 1 28 VAL H 1.900 . 2.300 2.207 2.083 2.332 0.032 11 0 "[ . 1 . 2]" 2
51 1 56 LYS O 1 60 ALA H 1.900 . 2.300 2.150 2.093 2.285 . 0 0 "[ . 1 . 2]" 2
52 1 57 LEU O 1 61 THR H 1.900 . 2.300 2.352 2.322 2.389 0.089 5 0 "[ . 1 . 2]" 2
53 1 58 THR O 1 62 ALA H 1.900 . 2.300 2.075 2.045 2.096 . 0 0 "[ . 1 . 2]" 2
54 1 59 LYS O 1 63 ASP H 1.900 . 2.300 2.091 2.064 2.150 . 0 0 "[ . 1 . 2]" 2
55 1 60 ALA O 1 64 ALA H 1.900 . 2.300 2.216 2.132 2.316 0.016 19 0 "[ . 1 . 2]" 2
56 1 61 THR O 1 65 GLY H 1.900 . 2.300 2.376 2.359 2.413 0.113 15 0 "[ . 1 . 2]" 2
stop_
save_
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