NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
649148 |
6kna   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6kna
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 859
_Distance_constraint_stats_list.Viol_count 585
_Distance_constraint_stats_list.Viol_total 245.781
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0210
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLN 0.071 0.021 14 0 "[ . 1 . 2]"
1 3 ILE 0.262 0.037 18 0 "[ . 1 . 2]"
1 4 PHE 0.112 0.018 6 0 "[ . 1 . 2]"
1 5 ILE 0.292 0.053 12 0 "[ . 1 . 2]"
1 6 LYS 0.246 0.039 14 0 "[ . 1 . 2]"
1 7 THR 0.086 0.011 7 0 "[ . 1 . 2]"
1 8 LEU 0.070 0.043 19 0 "[ . 1 . 2]"
1 9 THR 0.211 0.059 19 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.023 0.009 20 0 "[ . 1 . 2]"
1 12 THR 0.118 0.091 12 0 "[ . 1 . 2]"
1 13 ILE 0.354 0.091 12 0 "[ . 1 . 2]"
1 14 THR 0.050 0.021 14 0 "[ . 1 . 2]"
1 15 ALA 0.003 0.003 9 0 "[ . 1 . 2]"
1 16 GLU 0.097 0.020 20 0 "[ . 1 . 2]"
1 17 THR 0.410 0.071 20 0 "[ . 1 . 2]"
1 18 GLU 0.121 0.069 20 0 "[ . 1 . 2]"
1 19 PRO 0.209 0.043 6 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.309 0.086 9 0 "[ . 1 . 2]"
1 22 THR 2.197 0.140 20 0 "[ . 1 . 2]"
1 23 VAL 2.210 0.091 15 0 "[ . 1 . 2]"
1 24 ALA 0.326 0.050 5 0 "[ . 1 . 2]"
1 25 ASP 0.025 0.018 18 0 "[ . 1 . 2]"
1 26 LEU 0.186 0.041 18 0 "[ . 1 . 2]"
1 27 LYS 0.280 0.029 18 0 "[ . 1 . 2]"
1 28 GLN 0.016 0.008 18 0 "[ . 1 . 2]"
1 29 LYS 0.101 0.041 18 0 "[ . 1 . 2]"
1 30 ILE 0.047 0.029 18 0 "[ . 1 . 2]"
1 31 ALA 0.017 0.006 20 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.001 0.000 8 0 "[ . 1 . 2]"
1 34 GLU 0.002 0.001 13 0 "[ . 1 . 2]"
1 35 GLY 0.011 0.004 20 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.034 0.022 6 0 "[ . 1 . 2]"
1 38 VAL 0.020 0.008 18 0 "[ . 1 . 2]"
1 39 ASP 0.034 0.022 6 0 "[ . 1 . 2]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 0.177 0.157 7 0 "[ . 1 . 2]"
1 42 ARG 0.028 0.020 7 0 "[ . 1 . 2]"
1 43 LEU 0.462 0.120 3 0 "[ . 1 . 2]"
1 44 ILE 0.331 0.075 13 0 "[ . 1 . 2]"
1 45 PHE 0.284 0.038 20 0 "[ . 1 . 2]"
1 46 ALA 0.023 0.013 12 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.323 0.073 20 0 "[ . 1 . 2]"
1 49 GLN 0.066 0.016 10 0 "[ . 1 . 2]"
1 50 LEU 0.772 0.153 5 0 "[ . 1 . 2]"
1 51 GLU 0.094 0.030 5 0 "[ . 1 . 2]"
1 52 ASP 0.394 0.050 5 0 "[ . 1 . 2]"
1 53 SER 0.052 0.027 12 0 "[ . 1 . 2]"
1 54 LYS 0.282 0.028 8 0 "[ . 1 . 2]"
1 55 THR 1.775 0.140 20 0 "[ . 1 . 2]"
1 56 MET 1.555 0.134 16 0 "[ . 1 . 2]"
1 57 ALA 0.275 0.043 6 0 "[ . 1 . 2]"
1 58 ASP 0.046 0.027 7 0 "[ . 1 . 2]"
1 59 TYR 0.331 0.094 5 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.598 0.078 15 0 "[ . 1 . 2]"
1 62 GLN 0.771 0.196 6 0 "[ . 1 . 2]"
1 63 LYS 1.038 0.196 6 0 "[ . 1 . 2]"
1 64 GLU 0.590 0.166 12 0 "[ . 1 . 2]"
1 65 SER 0.722 0.166 12 0 "[ . 1 . 2]"
1 66 THR 0.164 0.033 14 0 "[ . 1 . 2]"
1 67 LEU 0.377 0.045 2 0 "[ . 1 . 2]"
1 68 HIS 0.571 0.053 18 0 "[ . 1 . 2]"
1 69 MET 0.542 0.163 12 0 "[ . 1 . 2]"
1 70 VAL 0.191 0.156 12 0 "[ . 1 . 2]"
1 71 LEU 0.024 0.022 13 0 "[ . 1 . 2]"
1 72 ARG 0.168 0.144 13 0 "[ . 1 . 2]"
1 73 LEU 0.146 0.144 13 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 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 1 MET HA 1 1 MET QG . . 3.490 2.683 2.168 3.338 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 GLN H . . 2.850 2.465 2.144 2.846 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET QB 1 1 MET ME . . 2.680 2.423 2.094 2.671 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QG 1 2 GLN H . . 5.340 3.706 1.942 4.796 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN H 1 2 GLN QB . . 3.050 2.647 2.211 3.044 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN HA 1 3 ILE H . . 3.090 2.271 2.247 2.278 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLN QB 1 3 ILE H . . 4.320 2.826 2.706 3.507 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLN QB 1 14 THR HB . . 4.780 3.724 2.634 4.785 0.005 17 0 "[ . 1 . 2]" 1
9 1 2 GLN QB 1 15 ALA HA . . 4.850 3.775 3.068 4.841 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLN QB 1 16 GLU HA . . 3.450 3.217 2.332 3.461 0.011 18 0 "[ . 1 . 2]" 1
11 1 2 GLN QG 1 3 ILE H . . 4.120 3.527 2.118 4.105 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLN QG 1 14 THR HB . . 4.590 3.660 2.468 4.559 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLN HG2 1 3 ILE H . . 4.990 4.160 2.137 4.999 0.009 6 0 "[ . 1 . 2]" 1
14 1 2 GLN HG2 1 14 THR HB . . 5.320 4.895 2.984 5.341 0.021 14 0 "[ . 1 . 2]" 1
15 1 2 GLN HG3 1 3 ILE H . . 4.990 4.006 2.231 4.843 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLN HG3 1 14 THR HB . . 5.320 3.911 2.632 5.302 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE H 1 3 ILE HG12 . . 4.150 2.626 2.134 3.670 . 0 0 "[ . 1 . 2]" 1
18 1 3 ILE H 1 3 ILE QG . . 3.530 2.526 2.097 3.426 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE H 1 3 ILE HG13 . . 4.150 3.379 2.778 4.135 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE H 1 5 ILE MD . . 5.280 3.899 3.507 4.174 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE H 1 16 GLU H . . 5.500 5.467 5.141 5.510 0.010 15 0 "[ . 1 . 2]" 1
22 1 3 ILE HA 1 3 ILE MG . . 3.170 2.374 2.238 2.542 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE HA 1 4 PHE H . . 3.150 2.471 2.444 2.479 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE HA 1 64 GLU H . . 3.630 3.055 2.630 3.592 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE HA 1 64 GLU HA . . 3.720 3.026 2.009 3.582 . 0 0 "[ . 1 . 2]" 1
26 1 3 ILE HA 1 65 SER H . . 4.340 3.436 2.807 3.847 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE HB 1 4 PHE H . . 3.200 2.292 2.229 2.415 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE HB 1 62 GLN HA . . 5.000 4.514 3.964 4.999 . 0 0 "[ . 1 . 2]" 1
29 1 3 ILE HB 1 64 GLU H . . 4.750 4.522 3.928 4.762 0.012 12 0 "[ . 1 . 2]" 1
30 1 3 ILE HB 1 65 SER H . . 4.460 3.281 2.573 3.686 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE MD 1 4 PHE H . . 4.080 3.988 3.892 4.057 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE QG 1 3 ILE MG . . 2.950 2.265 2.153 2.318 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE QG 1 4 PHE H . . 4.180 3.154 2.804 3.435 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE QG 1 4 PHE HA . . 3.850 3.795 3.654 3.868 0.018 6 0 "[ . 1 . 2]" 1
35 1 3 ILE QG 1 4 PHE QB . . 5.120 4.672 4.248 5.000 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE QG 1 5 ILE H . . 4.380 4.304 3.859 4.400 0.020 18 0 "[ . 1 . 2]" 1
37 1 3 ILE MG 1 4 PHE H . . 4.170 3.736 3.617 3.879 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE MG 1 62 GLN HA . . 4.730 2.724 2.098 3.399 . 0 0 "[ . 1 . 2]" 1
39 1 3 ILE MG 1 63 LYS HA . . 4.690 4.586 4.249 4.701 0.011 13 0 "[ . 1 . 2]" 1
40 1 3 ILE MG 1 64 GLU H . . 4.080 3.580 3.056 4.089 0.009 18 0 "[ . 1 . 2]" 1
41 1 3 ILE MG 1 65 SER H . . 3.510 3.144 2.617 3.547 0.037 18 0 "[ . 1 . 2]" 1
42 1 3 ILE MG 1 65 SER QB . . 4.300 2.704 1.900 3.608 . 0 0 "[ . 1 . 2]" 1
43 1 4 PHE H 1 4 PHE HB2 . . 4.200 2.381 2.262 2.642 . 0 0 "[ . 1 . 2]" 1
44 1 4 PHE H 1 4 PHE QB . . 3.550 2.349 2.237 2.593 . 0 0 "[ . 1 . 2]" 1
45 1 4 PHE H 1 4 PHE HB3 . . 4.200 3.599 3.531 3.762 . 0 0 "[ . 1 . 2]" 1
46 1 4 PHE H 1 4 PHE QD . . 4.430 2.757 2.381 3.526 . 0 0 "[ . 1 . 2]" 1
47 1 4 PHE H 1 5 ILE H . . 4.840 4.430 4.285 4.538 . 0 0 "[ . 1 . 2]" 1
48 1 4 PHE H 1 64 GLU H . . 5.140 4.372 3.951 4.829 . 0 0 "[ . 1 . 2]" 1
49 1 4 PHE H 1 66 THR HA . . 4.830 4.366 3.952 4.792 . 0 0 "[ . 1 . 2]" 1
50 1 4 PHE H 1 67 LEU H . . 5.180 4.858 4.465 5.179 . 0 0 "[ . 1 . 2]" 1
51 1 4 PHE HA 1 4 PHE QD . . 3.930 2.864 2.120 3.119 . 0 0 "[ . 1 . 2]" 1
52 1 4 PHE HA 1 5 ILE H . . 3.060 2.166 2.140 2.209 . 0 0 "[ . 1 . 2]" 1
53 1 4 PHE HA 1 5 ILE HB . . 4.660 4.587 4.536 4.650 . 0 0 "[ . 1 . 2]" 1
54 1 4 PHE HA 1 5 ILE MD . . 4.470 3.052 2.863 3.293 . 0 0 "[ . 1 . 2]" 1
55 1 4 PHE HA 1 14 THR HA . . 3.570 3.167 2.939 3.359 . 0 0 "[ . 1 . 2]" 1
56 1 4 PHE QB 1 5 ILE H . . 3.830 3.180 2.983 3.484 . 0 0 "[ . 1 . 2]" 1
57 1 4 PHE QB 1 14 THR MG . . 3.840 3.343 2.984 3.831 . 0 0 "[ . 1 . 2]" 1
58 1 4 PHE QB 1 66 THR HA . . 3.780 3.616 3.271 3.791 0.011 18 0 "[ . 1 . 2]" 1
59 1 4 PHE QB 1 67 LEU H . . 5.150 4.388 4.061 4.751 . 0 0 "[ . 1 . 2]" 1
60 1 4 PHE HB2 1 5 ILE H . . 4.670 4.312 4.109 4.489 . 0 0 "[ . 1 . 2]" 1
61 1 4 PHE HB2 1 66 THR HA . . 4.490 3.881 3.359 4.132 . 0 0 "[ . 1 . 2]" 1
62 1 4 PHE HB3 1 5 ILE H . . 4.670 3.276 3.051 3.630 . 0 0 "[ . 1 . 2]" 1
63 1 4 PHE HB3 1 66 THR HA . . 4.490 4.343 3.958 4.502 0.012 15 0 "[ . 1 . 2]" 1
64 1 4 PHE QD 1 5 ILE H . . 4.910 4.252 3.914 4.511 . 0 0 "[ . 1 . 2]" 1
65 1 4 PHE QD 1 14 THR HA . . 5.350 4.804 3.138 5.335 . 0 0 "[ . 1 . 2]" 1
66 1 4 PHE QD 1 64 GLU HA . . 4.650 2.548 2.252 3.229 . 0 0 "[ . 1 . 2]" 1
67 1 4 PHE QE 1 14 THR MG . . 3.970 2.973 2.287 3.279 . 0 0 "[ . 1 . 2]" 1
68 1 4 PHE QE 1 64 GLU HA . . 4.330 3.958 3.602 4.332 0.002 10 0 "[ . 1 . 2]" 1
69 1 4 PHE QE 1 64 GLU QB . . 4.590 4.328 2.498 4.596 0.006 3 0 "[ . 1 . 2]" 1
70 1 5 ILE H 1 5 ILE HB . . 3.600 2.678 2.566 2.778 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE H 1 5 ILE MD . . 3.810 2.645 2.280 2.913 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE H 1 5 ILE QG . . 4.020 3.319 3.206 3.422 . 0 0 "[ . 1 . 2]" 1
73 1 5 ILE H 1 13 ILE HB . . 4.720 3.768 3.267 4.059 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE H 1 14 THR H . . 5.500 4.858 4.724 5.059 . 0 0 "[ . 1 . 2]" 1
75 1 5 ILE H 1 14 THR HA . . 4.210 3.544 3.142 3.959 . 0 0 "[ . 1 . 2]" 1
76 1 5 ILE HA 1 5 ILE MD . . 4.530 3.493 3.384 3.612 . 0 0 "[ . 1 . 2]" 1
77 1 5 ILE HA 1 5 ILE MG . . 3.620 2.311 2.250 2.366 . 0 0 "[ . 1 . 2]" 1
78 1 5 ILE HA 1 6 LYS H . . 3.070 2.195 2.141 2.228 . 0 0 "[ . 1 . 2]" 1
79 1 5 ILE HA 1 67 LEU H . . 4.120 2.543 2.130 2.890 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE HB 1 13 ILE HB . . 3.650 2.121 1.992 2.305 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE HB 1 13 ILE QG . . 4.470 3.961 3.588 4.321 . 0 0 "[ . 1 . 2]" 1
82 1 5 ILE MD 1 14 THR HA . . 4.680 2.803 2.520 3.565 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE MD 1 15 ALA H . . 5.500 3.251 2.911 3.623 . 0 0 "[ . 1 . 2]" 1
84 1 5 ILE MD 1 69 MET QB . . 5.290 5.064 4.605 5.291 0.001 12 0 "[ . 1 . 2]" 1
85 1 5 ILE QG 1 6 LYS H . . 4.770 4.049 3.972 4.184 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE QG 1 67 LEU H . . 4.500 3.421 2.767 4.131 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE QG 1 68 HIS H . . 4.820 4.824 4.758 4.873 0.053 12 0 "[ . 1 . 2]" 1
88 1 5 ILE HG12 1 68 HIS H . . 5.500 5.374 5.205 5.451 . 0 0 "[ . 1 . 2]" 1
89 1 5 ILE HG13 1 68 HIS H . . 5.500 5.460 5.381 5.510 0.010 19 0 "[ . 1 . 2]" 1
90 1 5 ILE MG 1 6 LYS H . . 3.520 2.228 1.972 2.710 . 0 0 "[ . 1 . 2]" 1
91 1 5 ILE MG 1 6 LYS HA . . 4.630 3.657 3.477 3.887 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE MG 1 13 ILE HB . . 3.560 3.007 2.763 3.282 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE MG 1 13 ILE QG . . 3.860 3.822 3.670 3.873 0.013 13 0 "[ . 1 . 2]" 1
94 1 5 ILE MG 1 67 LEU HB3 . . 3.770 2.389 2.072 2.777 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE MG 1 68 HIS H . . 4.290 3.878 3.633 4.116 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE MG 1 68 HIS HA . . 4.260 3.343 3.080 3.664 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE MG 1 69 MET H . . 4.090 3.157 2.766 3.602 . 0 0 "[ . 1 . 2]" 1
98 1 5 ILE MG 1 69 MET QB . . 3.340 2.209 1.941 2.593 . 0 0 "[ . 1 . 2]" 1
99 1 5 ILE MG 1 69 MET QG . . 4.380 3.039 2.123 3.621 . 0 0 "[ . 1 . 2]" 1
100 1 6 LYS H 1 6 LYS QB . . 3.340 2.568 2.381 2.759 . 0 0 "[ . 1 . 2]" 1
101 1 6 LYS H 1 7 THR H . . 4.630 4.387 4.122 4.503 . 0 0 "[ . 1 . 2]" 1
102 1 6 LYS H 1 7 THR HA . . 5.020 4.865 4.646 5.031 0.011 13 0 "[ . 1 . 2]" 1
103 1 6 LYS H 1 67 LEU HB3 . . 4.430 3.891 3.263 4.390 . 0 0 "[ . 1 . 2]" 1
104 1 6 LYS H 1 68 HIS HA . . 3.660 3.444 3.085 3.675 0.015 12 0 "[ . 1 . 2]" 1
105 1 6 LYS H 1 69 MET H . . 4.310 4.108 3.784 4.328 0.018 20 0 "[ . 1 . 2]" 1
106 1 6 LYS HA 1 7 THR H . . 2.830 2.199 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
107 1 6 LYS HA 1 7 THR MG . . 3.900 3.693 3.291 3.907 0.007 17 0 "[ . 1 . 2]" 1
108 1 6 LYS HA 1 12 THR HA . . 3.260 3.055 2.637 3.260 0.000 2 0 "[ . 1 . 2]" 1
109 1 6 LYS HA 1 13 ILE H . . 4.190 3.546 3.152 3.996 . 0 0 "[ . 1 . 2]" 1
110 1 6 LYS QB 1 7 THR H . . 4.280 3.309 2.698 3.901 . 0 0 "[ . 1 . 2]" 1
111 1 6 LYS QB 1 13 ILE H . . 5.050 5.047 4.966 5.089 0.039 14 0 "[ . 1 . 2]" 1
112 1 6 LYS QB 1 68 HIS HA . . 4.530 4.098 3.649 4.476 . 0 0 "[ . 1 . 2]" 1
113 1 6 LYS QG 1 12 THR HA . . 4.400 3.835 2.481 4.402 0.002 14 0 "[ . 1 . 2]" 1
114 1 7 THR H 1 7 THR MG . . 3.220 2.271 1.950 2.707 . 0 0 "[ . 1 . 2]" 1
115 1 7 THR H 1 11 LYS H . . 3.960 3.226 2.778 3.851 . 0 0 "[ . 1 . 2]" 1
116 1 7 THR H 1 11 LYS QB . . 4.600 3.690 3.297 4.197 . 0 0 "[ . 1 . 2]" 1
117 1 7 THR H 1 12 THR HA . . 4.780 4.339 3.808 4.663 . 0 0 "[ . 1 . 2]" 1
118 1 7 THR H 1 13 ILE MD . . 4.710 4.291 3.076 4.715 0.005 18 0 "[ . 1 . 2]" 1
119 1 7 THR HA 1 7 THR MG . . 3.420 2.870 2.257 3.206 . 0 0 "[ . 1 . 2]" 1
120 1 7 THR HA 1 8 LEU H . . 3.320 2.526 2.324 2.687 . 0 0 "[ . 1 . 2]" 1
121 1 7 THR HA 1 8 LEU QB . . 4.540 4.289 4.157 4.423 . 0 0 "[ . 1 . 2]" 1
122 1 7 THR HA 1 69 MET H . . 4.330 2.847 2.446 3.435 . 0 0 "[ . 1 . 2]" 1
123 1 7 THR HA 1 69 MET QB . . 4.750 3.379 1.989 4.752 0.002 7 0 "[ . 1 . 2]" 1
124 1 7 THR HA 1 69 MET QG . . 4.960 4.056 2.114 4.966 0.006 1 0 "[ . 1 . 2]" 1
125 1 7 THR HB 1 9 THR H . . 4.190 3.682 2.874 4.201 0.011 7 0 "[ . 1 . 2]" 1
126 1 7 THR HB 1 11 LYS H . . 4.890 4.552 4.162 4.894 0.004 13 0 "[ . 1 . 2]" 1
127 1 7 THR HB 1 13 ILE MD . . 4.680 3.588 2.317 4.675 . 0 0 "[ . 1 . 2]" 1
128 1 7 THR MG 1 8 LEU H . . 4.150 3.457 3.124 3.975 . 0 0 "[ . 1 . 2]" 1
129 1 7 THR MG 1 10 GLY H . . 4.730 3.257 2.027 4.685 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU H 1 8 LEU HB2 . . 4.110 2.536 2.110 3.569 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU H 1 8 LEU QB . . 3.380 2.201 2.071 2.330 . 0 0 "[ . 1 . 2]" 1
132 1 8 LEU H 1 8 LEU HB3 . . 4.110 2.592 2.319 3.008 . 0 0 "[ . 1 . 2]" 1
133 1 8 LEU H 1 8 LEU QD . . 4.400 3.504 1.874 3.741 . 0 0 "[ . 1 . 2]" 1
134 1 8 LEU H 1 8 LEU HG . . 4.600 4.302 2.587 4.578 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU H 1 9 THR H . . 3.590 2.606 2.459 2.678 . 0 0 "[ . 1 . 2]" 1
136 1 8 LEU H 1 10 GLY H . . 4.790 4.044 3.881 4.259 . 0 0 "[ . 1 . 2]" 1
137 1 8 LEU HA 1 8 LEU QD . . 3.370 2.497 1.946 3.360 . 0 0 "[ . 1 . 2]" 1
138 1 8 LEU QB 1 9 THR HA . . 4.740 4.187 3.907 4.597 . 0 0 "[ . 1 . 2]" 1
139 1 8 LEU HB2 1 9 THR H . . 4.230 3.978 3.650 4.273 0.043 19 0 "[ . 1 . 2]" 1
140 1 8 LEU HB3 1 9 THR H . . 4.230 3.080 2.810 3.932 . 0 0 "[ . 1 . 2]" 1
141 1 8 LEU QD 1 9 THR HA . . 4.160 3.688 2.499 4.186 0.026 19 0 "[ . 1 . 2]" 1
142 1 9 THR H 1 9 THR MG . . 3.880 3.153 2.072 3.797 . 0 0 "[ . 1 . 2]" 1
143 1 9 THR H 1 10 GLY QA . . 4.900 4.427 4.360 4.468 . 0 0 "[ . 1 . 2]" 1
144 1 9 THR H 1 11 LYS H . . 4.270 3.672 3.535 3.773 . 0 0 "[ . 1 . 2]" 1
145 1 9 THR HA 1 9 THR MG . . 3.130 2.317 2.065 3.189 0.059 19 0 "[ . 1 . 2]" 1
146 1 10 GLY H 1 11 LYS H . . 3.220 2.418 2.292 2.607 . 0 0 "[ . 1 . 2]" 1
147 1 10 GLY H 1 11 LYS QB . . 4.690 4.204 4.067 4.331 . 0 0 "[ . 1 . 2]" 1
148 1 11 LYS H 1 11 LYS QB . . 3.110 2.257 2.131 2.416 . 0 0 "[ . 1 . 2]" 1
149 1 11 LYS H 1 11 LYS QG . . 4.470 4.005 3.815 4.142 . 0 0 "[ . 1 . 2]" 1
150 1 11 LYS HA 1 12 THR H . . 2.860 2.255 2.192 2.313 . 0 0 "[ . 1 . 2]" 1
151 1 11 LYS HA 1 12 THR HB . . 4.690 4.637 4.259 4.691 0.001 8 0 "[ . 1 . 2]" 1
152 1 11 LYS QB 1 12 THR H . . 3.520 3.442 3.274 3.529 0.009 20 0 "[ . 1 . 2]" 1
153 1 11 LYS QB 1 13 ILE H . . 5.500 5.136 4.623 5.499 . 0 0 "[ . 1 . 2]" 1
154 1 11 LYS QE 1 12 THR H . . 4.640 4.213 3.148 4.641 0.001 9 0 "[ . 1 . 2]" 1
155 1 11 LYS QG 1 12 THR H . . 4.080 2.299 1.951 2.615 . 0 0 "[ . 1 . 2]" 1
156 1 11 LYS QG 1 12 THR HA . . 5.020 4.302 3.885 4.579 . 0 0 "[ . 1 . 2]" 1
157 1 12 THR H 1 12 THR HB . . 3.370 2.564 2.496 2.805 . 0 0 "[ . 1 . 2]" 1
158 1 12 THR H 1 13 ILE H . . 4.800 4.403 4.218 4.540 . 0 0 "[ . 1 . 2]" 1
159 1 12 THR HA 1 12 THR MG . . 3.490 2.375 2.291 3.190 . 0 0 "[ . 1 . 2]" 1
160 1 12 THR HA 1 13 ILE H . . 2.960 2.159 2.142 2.229 . 0 0 "[ . 1 . 2]" 1
161 1 12 THR HB 1 13 ILE H . . 4.730 4.225 4.070 4.369 . 0 0 "[ . 1 . 2]" 1
162 1 12 THR MG 1 13 ILE H . . 3.380 2.690 2.267 3.471 0.091 12 0 "[ . 1 . 2]" 1
163 1 12 THR MG 1 13 ILE HA . . 4.250 3.680 3.407 3.954 . 0 0 "[ . 1 . 2]" 1
164 1 12 THR MG 1 13 ILE HB . . 5.470 4.882 4.604 5.397 . 0 0 "[ . 1 . 2]" 1
165 1 12 THR MG 1 14 THR H . . 4.220 4.022 3.710 4.225 0.005 18 0 "[ . 1 . 2]" 1
166 1 13 ILE H 1 13 ILE HB . . 3.840 2.769 2.677 2.898 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE H 1 13 ILE MD . . 4.220 3.946 2.066 4.222 0.002 5 0 "[ . 1 . 2]" 1
168 1 13 ILE H 1 13 ILE HG12 . . 3.950 3.798 3.658 3.974 0.024 13 0 "[ . 1 . 2]" 1
169 1 13 ILE H 1 13 ILE QG . . 3.420 2.649 2.460 2.917 . 0 0 "[ . 1 . 2]" 1
170 1 13 ILE H 1 13 ILE HG13 . . 3.950 2.704 2.500 3.001 . 0 0 "[ . 1 . 2]" 1
171 1 13 ILE H 1 13 ILE MG . . 4.100 3.902 3.844 3.955 . 0 0 "[ . 1 . 2]" 1
172 1 13 ILE H 1 14 THR H . . 5.500 4.257 4.102 4.347 . 0 0 "[ . 1 . 2]" 1
173 1 13 ILE HA 1 13 ILE MG . . 3.370 2.340 2.274 2.375 . 0 0 "[ . 1 . 2]" 1
174 1 13 ILE HA 1 14 THR H . . 2.970 2.148 2.139 2.186 . 0 0 "[ . 1 . 2]" 1
175 1 13 ILE HB 1 14 THR H . . 4.340 4.168 3.934 4.310 . 0 0 "[ . 1 . 2]" 1
176 1 13 ILE HB 1 14 THR MG . . 5.500 4.691 4.428 5.092 . 0 0 "[ . 1 . 2]" 1
177 1 13 ILE MD 1 69 MET HG2 . . 4.570 3.872 2.843 4.579 0.009 20 0 "[ . 1 . 2]" 1
178 1 13 ILE MD 1 69 MET QG . . 3.800 3.243 2.662 3.802 0.002 6 0 "[ . 1 . 2]" 1
179 1 13 ILE MD 1 69 MET HG3 . . 4.570 3.823 2.691 4.571 0.001 2 0 "[ . 1 . 2]" 1
180 1 13 ILE QG 1 14 THR H . . 4.950 4.298 4.169 4.379 . 0 0 "[ . 1 . 2]" 1
181 1 13 ILE MG 1 14 THR H . . 3.650 2.632 2.282 2.963 . 0 0 "[ . 1 . 2]" 1
182 1 13 ILE MG 1 69 MET QB . . 5.340 5.067 4.500 5.344 0.004 5 0 "[ . 1 . 2]" 1
183 1 13 ILE MG 1 69 MET QG . . 5.180 4.915 4.150 5.188 0.008 13 0 "[ . 1 . 2]" 1
184 1 14 THR H 1 14 THR HB . . 4.020 3.871 3.783 3.904 . 0 0 "[ . 1 . 2]" 1
185 1 14 THR H 1 14 THR MG . . 3.890 2.859 2.669 3.023 . 0 0 "[ . 1 . 2]" 1
186 1 14 THR HA 1 14 THR MG . . 3.400 2.377 2.289 2.486 . 0 0 "[ . 1 . 2]" 1
187 1 14 THR HA 1 15 ALA H . . 2.930 2.159 2.142 2.252 . 0 0 "[ . 1 . 2]" 1
188 1 14 THR HB 1 15 ALA H . . 3.410 3.267 2.795 3.413 0.003 9 0 "[ . 1 . 2]" 1
189 1 14 THR HB 1 15 ALA HA . . 4.530 4.424 4.225 4.512 . 0 0 "[ . 1 . 2]" 1
190 1 14 THR MG 1 15 ALA H . . 4.220 4.085 3.806 4.180 . 0 0 "[ . 1 . 2]" 1
191 1 15 ALA H 1 15 ALA MB . . 3.430 2.789 2.666 2.848 . 0 0 "[ . 1 . 2]" 1
192 1 15 ALA H 1 16 GLU HA . . 4.750 4.610 4.529 4.716 . 0 0 "[ . 1 . 2]" 1
193 1 15 ALA HA 1 16 GLU H . . 3.000 2.262 2.165 2.446 . 0 0 "[ . 1 . 2]" 1
194 1 15 ALA HA 1 16 GLU HA . . 4.440 4.340 4.315 4.369 . 0 0 "[ . 1 . 2]" 1
195 1 15 ALA MB 1 16 GLU H . . 3.450 2.794 2.390 3.075 . 0 0 "[ . 1 . 2]" 1
196 1 15 ALA MB 1 16 GLU HA . . 4.520 4.297 4.123 4.389 . 0 0 "[ . 1 . 2]" 1
197 1 16 GLU H 1 16 GLU QB . . 3.320 2.468 2.188 2.749 . 0 0 "[ . 1 . 2]" 1
198 1 16 GLU H 1 16 GLU QG . . 4.030 2.730 1.935 4.027 . 0 0 "[ . 1 . 2]" 1
199 1 16 GLU HA 1 16 GLU QG . . 3.850 2.962 2.167 3.398 . 0 0 "[ . 1 . 2]" 1
200 1 16 GLU HA 1 17 THR H . . 3.190 2.227 2.192 2.233 . 0 0 "[ . 1 . 2]" 1
201 1 16 GLU HA 1 17 THR MG . . 4.690 3.821 3.474 4.622 . 0 0 "[ . 1 . 2]" 1
202 1 16 GLU QG 1 17 THR H . . 4.050 3.388 2.206 4.070 0.020 20 0 "[ . 1 . 2]" 1
203 1 17 THR H 1 17 THR HB . . 4.010 3.176 3.018 3.409 . 0 0 "[ . 1 . 2]" 1
204 1 17 THR H 1 17 THR MG . . 3.460 2.291 2.045 3.531 0.071 20 0 "[ . 1 . 2]" 1
205 1 17 THR HA 1 18 GLU H . . 3.530 2.467 2.317 2.562 . 0 0 "[ . 1 . 2]" 1
206 1 17 THR HB 1 18 GLU H . . 3.920 3.668 2.509 3.898 . 0 0 "[ . 1 . 2]" 1
207 1 17 THR MG 1 18 GLU H . . 3.680 3.181 2.636 3.631 . 0 0 "[ . 1 . 2]" 1
208 1 17 THR MG 1 18 GLU HA . . 4.870 4.115 3.852 4.939 0.069 20 0 "[ . 1 . 2]" 1
209 1 17 THR MG 1 18 GLU QB . . 5.090 4.493 4.168 4.879 . 0 0 "[ . 1 . 2]" 1
210 1 17 THR MG 1 55 THR HA . . 5.250 5.154 4.873 5.267 0.017 18 0 "[ . 1 . 2]" 1
211 1 17 THR MG 1 56 MET H . . 4.950 4.291 3.949 4.580 . 0 0 "[ . 1 . 2]" 1
212 1 17 THR MG 1 56 MET QB . . 5.040 4.142 3.550 4.624 . 0 0 "[ . 1 . 2]" 1
213 1 17 THR MG 1 56 MET ME . . 3.460 3.072 1.937 3.478 0.018 8 0 "[ . 1 . 2]" 1
214 1 17 THR MG 1 56 MET HG2 . . 4.570 3.447 3.021 4.610 0.040 16 0 "[ . 1 . 2]" 1
215 1 17 THR MG 1 56 MET QG . . 3.820 3.031 2.724 3.841 0.021 5 0 "[ . 1 . 2]" 1
216 1 17 THR MG 1 56 MET HG3 . . 4.570 3.416 2.828 4.621 0.051 5 0 "[ . 1 . 2]" 1
217 1 18 GLU H 1 18 GLU QG . . 3.950 3.349 2.775 3.943 . 0 0 "[ . 1 . 2]" 1
218 1 18 GLU H 1 21 GLU H . . 4.390 4.178 3.717 4.414 0.024 9 0 "[ . 1 . 2]" 1
219 1 18 GLU H 1 21 GLU QB . . 5.340 4.562 3.672 5.352 0.012 19 0 "[ . 1 . 2]" 1
220 1 18 GLU HA 1 18 GLU QG . . 3.380 2.316 2.108 2.566 . 0 0 "[ . 1 . 2]" 1
221 1 18 GLU HA 1 19 PRO HD2 . . 3.500 2.369 2.173 2.513 . 0 0 "[ . 1 . 2]" 1
222 1 18 GLU HA 1 19 PRO QD . . 2.890 2.075 1.969 2.156 . 0 0 "[ . 1 . 2]" 1
223 1 18 GLU HA 1 19 PRO HD3 . . 3.500 2.298 2.251 2.348 . 0 0 "[ . 1 . 2]" 1
224 1 18 GLU HA 1 19 PRO QG . . 4.530 3.985 3.869 4.074 . 0 0 "[ . 1 . 2]" 1
225 1 18 GLU QG 1 19 PRO HD2 . . 4.160 2.548 1.982 3.363 . 0 0 "[ . 1 . 2]" 1
226 1 18 GLU QG 1 19 PRO QD . . 3.620 2.484 1.964 3.228 . 0 0 "[ . 1 . 2]" 1
227 1 18 GLU QG 1 19 PRO HD3 . . 4.160 3.532 3.186 4.162 0.002 12 0 "[ . 1 . 2]" 1
228 1 18 GLU QG 1 20 ALA H . . 4.390 4.072 3.152 4.389 . 0 0 "[ . 1 . 2]" 1
229 1 19 PRO HA 1 56 MET H . . 5.000 4.602 3.949 5.011 0.011 13 0 "[ . 1 . 2]" 1
230 1 19 PRO HA 1 57 ALA H . . 5.090 4.726 4.236 5.133 0.043 6 0 "[ . 1 . 2]" 1
231 1 19 PRO HA 1 57 ALA MB . . 4.890 4.378 3.899 4.824 . 0 0 "[ . 1 . 2]" 1
232 1 19 PRO HB2 1 20 ALA HA . . 4.970 4.196 3.986 4.330 . 0 0 "[ . 1 . 2]" 1
233 1 19 PRO HB3 1 20 ALA H . . 4.600 4.260 3.956 4.433 . 0 0 "[ . 1 . 2]" 1
234 1 19 PRO HB3 1 57 ALA H . . 5.500 5.426 5.156 5.520 0.020 18 0 "[ . 1 . 2]" 1
235 1 19 PRO QD 1 20 ALA H . . 3.990 2.681 2.602 2.815 . 0 0 "[ . 1 . 2]" 1
236 1 19 PRO QG 1 20 ALA H . . 3.960 2.636 2.011 3.057 . 0 0 "[ . 1 . 2]" 1
237 1 19 PRO HG2 1 20 ALA H . . 4.740 2.671 2.021 3.114 . 0 0 "[ . 1 . 2]" 1
238 1 19 PRO HG3 1 20 ALA H . . 4.740 4.107 3.621 4.441 . 0 0 "[ . 1 . 2]" 1
239 1 20 ALA H 1 20 ALA MB . . 2.990 2.205 2.032 2.342 . 0 0 "[ . 1 . 2]" 1
240 1 20 ALA MB 1 21 GLU H . . 3.910 2.893 2.819 2.945 . 0 0 "[ . 1 . 2]" 1
241 1 21 GLU H 1 21 GLU HB2 . . 3.870 2.978 2.627 3.854 . 0 0 "[ . 1 . 2]" 1
242 1 21 GLU H 1 21 GLU QB . . 3.110 2.790 2.576 3.196 0.086 9 0 "[ . 1 . 2]" 1
243 1 21 GLU H 1 21 GLU HB3 . . 3.870 3.694 3.339 3.871 0.001 5 0 "[ . 1 . 2]" 1
244 1 21 GLU HA 1 21 GLU HG2 . . 4.140 2.891 2.164 3.630 . 0 0 "[ . 1 . 2]" 1
245 1 21 GLU HA 1 21 GLU HG3 . . 4.140 2.978 2.167 4.154 0.014 7 0 "[ . 1 . 2]" 1
246 1 21 GLU HA 1 22 THR H . . 2.910 2.436 2.200 2.680 . 0 0 "[ . 1 . 2]" 1
247 1 21 GLU QB 1 22 THR H . . 4.370 3.882 3.738 3.978 . 0 0 "[ . 1 . 2]" 1
248 1 21 GLU QG 1 22 THR H . . 4.520 4.359 3.952 4.532 0.012 12 0 "[ . 1 . 2]" 1
249 1 22 THR H 1 22 THR MG . . 3.610 3.035 2.157 3.729 0.119 2 0 "[ . 1 . 2]" 1
250 1 22 THR HA 1 22 THR MG . . 3.280 2.625 2.027 3.199 . 0 0 "[ . 1 . 2]" 1
251 1 22 THR HB 1 23 VAL H . . 3.790 3.061 2.438 3.864 0.074 17 0 "[ . 1 . 2]" 1
252 1 22 THR HB 1 55 THR H . . 5.480 5.177 4.500 5.584 0.104 18 0 "[ . 1 . 2]" 1
253 1 22 THR HB 1 56 MET ME . . 4.310 3.535 2.338 4.291 . 0 0 "[ . 1 . 2]" 1
254 1 22 THR MG 1 55 THR H . . 4.910 4.578 3.630 5.050 0.140 20 0 "[ . 1 . 2]" 1
255 1 22 THR MG 1 55 THR HA . . 4.340 2.371 1.913 2.869 . 0 0 "[ . 1 . 2]" 1
256 1 23 VAL H 1 23 VAL HB . . 3.260 2.490 2.462 2.592 . 0 0 "[ . 1 . 2]" 1
257 1 23 VAL H 1 23 VAL MG1 . . 4.060 3.766 3.761 3.779 . 0 0 "[ . 1 . 2]" 1
258 1 23 VAL H 1 23 VAL MG2 . . 3.240 2.369 2.108 2.453 . 0 0 "[ . 1 . 2]" 1
259 1 23 VAL H 1 26 LEU H . . 4.990 4.860 4.686 5.009 0.019 20 0 "[ . 1 . 2]" 1
260 1 23 VAL H 1 52 ASP HA . . 4.470 3.925 3.600 4.477 0.007 9 0 "[ . 1 . 2]" 1
261 1 23 VAL H 1 54 LYS H . . 5.500 4.919 4.201 5.494 . 0 0 "[ . 1 . 2]" 1
262 1 23 VAL H 1 55 THR HA . . 3.910 3.824 3.531 3.972 0.062 13 0 "[ . 1 . 2]" 1
263 1 23 VAL H 1 56 MET H . . 5.500 5.485 5.103 5.591 0.091 15 0 "[ . 1 . 2]" 1
264 1 23 VAL H 1 56 MET ME . . 4.940 4.619 3.781 4.995 0.055 16 0 "[ . 1 . 2]" 1
265 1 23 VAL HA 1 23 VAL MG1 . . 3.660 2.352 2.323 2.394 . 0 0 "[ . 1 . 2]" 1
266 1 23 VAL HA 1 23 VAL MG2 . . 3.510 2.290 2.244 2.396 . 0 0 "[ . 1 . 2]" 1
267 1 23 VAL HA 1 25 ASP H . . 5.040 4.339 3.970 4.631 . 0 0 "[ . 1 . 2]" 1
268 1 23 VAL HA 1 26 LEU H . . 4.070 3.482 3.332 3.669 . 0 0 "[ . 1 . 2]" 1
269 1 23 VAL HA 1 26 LEU HB2 . . 4.450 3.224 2.613 3.660 . 0 0 "[ . 1 . 2]" 1
270 1 23 VAL HA 1 26 LEU QB . . 3.620 2.982 2.557 3.283 . 0 0 "[ . 1 . 2]" 1
271 1 23 VAL HA 1 26 LEU HB3 . . 4.450 3.701 3.146 4.356 . 0 0 "[ . 1 . 2]" 1
272 1 23 VAL HA 1 27 LYS H . . 4.120 4.079 3.944 4.143 0.023 20 0 "[ . 1 . 2]" 1
273 1 23 VAL HA 1 27 LYS HG2 . . 5.100 4.367 3.786 4.952 . 0 0 "[ . 1 . 2]" 1
274 1 23 VAL HA 1 43 LEU QD . . 3.970 2.536 1.935 3.351 . 0 0 "[ . 1 . 2]" 1
275 1 23 VAL HA 1 56 MET ME . . 4.310 4.010 2.902 4.373 0.063 18 0 "[ . 1 . 2]" 1
276 1 23 VAL HB 1 24 ALA H . . 3.450 2.421 2.300 2.529 . 0 0 "[ . 1 . 2]" 1
277 1 23 VAL HB 1 27 LYS HG2 . . 5.500 5.278 4.727 5.529 0.029 18 0 "[ . 1 . 2]" 1
278 1 23 VAL HB 1 27 LYS HG3 . . 4.600 4.217 3.980 4.482 . 0 0 "[ . 1 . 2]" 1
279 1 23 VAL HB 1 43 LEU QD . . 4.520 4.086 3.693 4.538 0.018 10 0 "[ . 1 . 2]" 1
280 1 23 VAL HB 1 52 ASP HA . . 3.370 2.019 1.974 2.130 . 0 0 "[ . 1 . 2]" 1
281 1 23 VAL HB 1 54 LYS H . . 4.650 4.184 3.221 4.673 0.023 16 0 "[ . 1 . 2]" 1
282 1 23 VAL HB 1 55 THR HA . . 5.500 5.481 5.141 5.543 0.043 9 0 "[ . 1 . 2]" 1
283 1 23 VAL MG1 1 24 ALA H . . 4.180 3.302 3.121 3.537 . 0 0 "[ . 1 . 2]" 1
284 1 23 VAL MG1 1 24 ALA HA . . 4.350 3.469 3.240 3.718 . 0 0 "[ . 1 . 2]" 1
285 1 23 VAL MG1 1 27 LYS H . . 3.890 3.636 3.294 3.898 0.008 9 0 "[ . 1 . 2]" 1
286 1 23 VAL MG1 1 27 LYS HB2 . . 4.080 3.968 3.788 4.098 0.018 18 0 "[ . 1 . 2]" 1
287 1 23 VAL MG1 1 27 LYS QE . . 3.910 2.871 1.965 3.916 0.006 6 0 "[ . 1 . 2]" 1
288 1 23 VAL MG1 1 50 LEU QB . . 4.740 3.164 2.419 4.435 . 0 0 "[ . 1 . 2]" 1
289 1 23 VAL MG1 1 52 ASP H . . 4.260 3.632 3.236 3.911 . 0 0 "[ . 1 . 2]" 1
290 1 23 VAL MG1 1 52 ASP HA . . 3.230 2.818 1.944 3.150 . 0 0 "[ . 1 . 2]" 1
291 1 23 VAL MG1 1 52 ASP QB . . 4.010 3.526 2.911 4.029 0.019 4 0 "[ . 1 . 2]" 1
292 1 23 VAL MG2 1 50 LEU QB . . 4.240 2.216 1.860 2.915 . 0 0 "[ . 1 . 2]" 1
293 1 23 VAL MG2 1 54 LYS H . . 4.480 3.280 2.964 3.597 . 0 0 "[ . 1 . 2]" 1
294 1 24 ALA H 1 24 ALA MB . . 2.940 2.200 2.067 2.233 . 0 0 "[ . 1 . 2]" 1
295 1 24 ALA H 1 25 ASP H . . 3.720 2.789 2.729 2.866 . 0 0 "[ . 1 . 2]" 1
296 1 24 ALA H 1 27 LYS HG3 . . 5.060 4.251 3.926 4.649 . 0 0 "[ . 1 . 2]" 1
297 1 24 ALA H 1 52 ASP HA . . 3.740 3.150 2.934 3.263 . 0 0 "[ . 1 . 2]" 1
298 1 24 ALA HA 1 27 LYS H . . 4.310 3.411 3.276 3.595 . 0 0 "[ . 1 . 2]" 1
299 1 24 ALA HA 1 27 LYS HB2 . . 3.910 2.537 2.205 3.118 . 0 0 "[ . 1 . 2]" 1
300 1 24 ALA HA 1 27 LYS HG3 . . 3.820 2.780 2.381 3.120 . 0 0 "[ . 1 . 2]" 1
301 1 24 ALA HA 1 38 VAL QG . . 4.390 4.156 3.673 4.386 . 0 0 "[ . 1 . 2]" 1
302 1 24 ALA HA 1 52 ASP QB . . 4.300 3.994 2.998 4.315 0.015 20 0 "[ . 1 . 2]" 1
303 1 24 ALA MB 1 25 ASP H . . 3.380 2.564 2.361 2.776 . 0 0 "[ . 1 . 2]" 1
304 1 24 ALA MB 1 52 ASP H . . 5.500 5.500 5.343 5.550 0.050 5 0 "[ . 1 . 2]" 1
305 1 24 ALA MB 1 52 ASP QB . . 3.140 2.853 2.529 3.140 0.000 19 0 "[ . 1 . 2]" 1
306 1 25 ASP H 1 25 ASP HB2 . . 3.580 2.613 2.161 2.791 . 0 0 "[ . 1 . 2]" 1
307 1 25 ASP H 1 25 ASP QB . . 3.000 2.209 2.140 2.259 . 0 0 "[ . 1 . 2]" 1
308 1 25 ASP H 1 25 ASP HB3 . . 3.580 2.591 2.297 3.540 . 0 0 "[ . 1 . 2]" 1
309 1 25 ASP QB 1 26 LEU H . . 3.490 2.661 2.485 2.799 . 0 0 "[ . 1 . 2]" 1
310 1 25 ASP HB2 1 26 LEU H . . 4.050 3.771 2.659 4.068 0.018 18 0 "[ . 1 . 2]" 1
311 1 25 ASP HB3 1 26 LEU H . . 4.050 2.815 2.514 3.576 . 0 0 "[ . 1 . 2]" 1
312 1 26 LEU H 1 26 LEU HB2 . . 3.340 2.182 2.057 2.413 . 0 0 "[ . 1 . 2]" 1
313 1 26 LEU H 1 26 LEU HB3 . . 3.340 3.025 2.666 3.333 . 0 0 "[ . 1 . 2]" 1
314 1 26 LEU H 1 26 LEU QD . . 4.310 3.402 2.760 3.735 . 0 0 "[ . 1 . 2]" 1
315 1 26 LEU H 1 27 LYS H . . 3.420 2.523 2.438 2.681 . 0 0 "[ . 1 . 2]" 1
316 1 26 LEU H 1 43 LEU QD . . 4.800 4.074 3.219 4.804 0.004 6 0 "[ . 1 . 2]" 1
317 1 26 LEU HA 1 26 LEU QD . . 3.080 2.218 1.887 3.024 . 0 0 "[ . 1 . 2]" 1
318 1 26 LEU HA 1 29 LYS H . . 4.120 3.409 3.098 3.654 . 0 0 "[ . 1 . 2]" 1
319 1 26 LEU HA 1 29 LYS QG . . 3.900 3.622 2.604 3.937 0.037 6 0 "[ . 1 . 2]" 1
320 1 26 LEU QB 1 43 LEU QD . . 3.120 2.269 1.723 3.004 . 0 0 "[ . 1 . 2]" 1
321 1 26 LEU QD 1 29 LYS H . . 5.110 4.314 3.811 4.922 . 0 0 "[ . 1 . 2]" 1
322 1 26 LEU QD 1 29 LYS QB . . 3.420 2.953 2.292 3.461 0.041 18 0 "[ . 1 . 2]" 1
323 1 26 LEU QD 1 29 LYS QE . . 4.530 3.682 1.923 4.528 . 0 0 "[ . 1 . 2]" 1
324 1 27 LYS H 1 27 LYS HB2 . . 3.140 2.517 2.351 2.694 . 0 0 "[ . 1 . 2]" 1
325 1 27 LYS H 1 27 LYS HG2 . . 4.570 2.566 2.159 3.076 . 0 0 "[ . 1 . 2]" 1
326 1 27 LYS H 1 27 LYS HG3 . . 3.340 2.814 2.355 3.300 . 0 0 "[ . 1 . 2]" 1
327 1 27 LYS H 1 28 GLN H . . 3.540 2.696 2.518 2.823 . 0 0 "[ . 1 . 2]" 1
328 1 27 LYS H 1 30 ILE MD . . 5.310 4.552 4.071 5.166 . 0 0 "[ . 1 . 2]" 1
329 1 27 LYS H 1 38 VAL QG . . 4.990 4.531 4.111 4.973 . 0 0 "[ . 1 . 2]" 1
330 1 27 LYS H 1 43 LEU QD . . 4.270 3.532 3.072 4.248 . 0 0 "[ . 1 . 2]" 1
331 1 27 LYS HA 1 27 LYS HG2 . . 3.430 2.510 2.265 2.745 . 0 0 "[ . 1 . 2]" 1
332 1 27 LYS HA 1 30 ILE H . . 4.280 3.809 3.544 4.018 . 0 0 "[ . 1 . 2]" 1
333 1 27 LYS HA 1 30 ILE HB . . 3.790 3.581 3.224 3.819 0.029 18 0 "[ . 1 . 2]" 1
334 1 27 LYS HA 1 30 ILE MD . . 3.600 3.093 2.589 3.549 . 0 0 "[ . 1 . 2]" 1
335 1 27 LYS HA 1 30 ILE MG . . 5.190 4.897 4.543 5.106 . 0 0 "[ . 1 . 2]" 1
336 1 27 LYS HA 1 31 ALA H . . 4.460 4.126 3.884 4.466 0.006 20 0 "[ . 1 . 2]" 1
337 1 27 LYS HA 1 38 VAL HA . . 5.090 4.539 3.804 5.029 . 0 0 "[ . 1 . 2]" 1
338 1 27 LYS HA 1 43 LEU QD . . 5.400 3.892 3.182 4.641 . 0 0 "[ . 1 . 2]" 1
339 1 27 LYS HB2 1 28 GLN H . . 3.590 2.610 2.436 2.854 . 0 0 "[ . 1 . 2]" 1
340 1 27 LYS HB2 1 38 VAL QG . . 2.920 2.721 2.302 2.926 0.006 20 0 "[ . 1 . 2]" 1
341 1 27 LYS HB3 1 28 GLN H . . 3.930 3.647 3.374 3.936 0.006 16 0 "[ . 1 . 2]" 1
342 1 27 LYS HB3 1 38 VAL HA . . 3.870 3.351 2.767 3.763 . 0 0 "[ . 1 . 2]" 1
343 1 27 LYS HG3 1 52 ASP HA . . 5.340 4.936 3.898 5.354 0.014 13 0 "[ . 1 . 2]" 1
344 1 28 GLN H 1 38 VAL QG . . 3.890 3.434 2.976 3.898 0.008 18 0 "[ . 1 . 2]" 1
345 1 28 GLN HA 1 28 GLN QG . . 3.430 2.519 2.367 2.902 . 0 0 "[ . 1 . 2]" 1
346 1 28 GLN HA 1 30 ILE H . . 4.660 4.567 4.339 4.663 0.003 2 0 "[ . 1 . 2]" 1
347 1 28 GLN HA 1 31 ALA H . . 3.770 3.358 3.182 3.507 . 0 0 "[ . 1 . 2]" 1
348 1 28 GLN HA 1 31 ALA MB . . 3.230 2.055 1.965 2.271 . 0 0 "[ . 1 . 2]" 1
349 1 28 GLN HA 1 32 ASP H . . 4.830 3.853 3.456 4.296 . 0 0 "[ . 1 . 2]" 1
350 1 28 GLN HA 1 38 VAL QG . . 3.220 2.709 2.158 3.217 . 0 0 "[ . 1 . 2]" 1
351 1 28 GLN QG 1 29 LYS H . . 4.140 3.796 3.401 4.103 . 0 0 "[ . 1 . 2]" 1
352 1 28 GLN QG 1 32 ASP H . . 4.770 3.948 3.590 4.280 . 0 0 "[ . 1 . 2]" 1
353 1 29 LYS H 1 29 LYS QB . . 3.670 2.201 2.112 2.386 . 0 0 "[ . 1 . 2]" 1
354 1 29 LYS H 1 29 LYS QG . . 4.100 3.310 2.330 4.019 . 0 0 "[ . 1 . 2]" 1
355 1 29 LYS H 1 30 ILE H . . 3.520 2.803 2.667 2.869 . 0 0 "[ . 1 . 2]" 1
356 1 29 LYS H 1 30 ILE MD . . 5.500 4.469 3.517 5.339 . 0 0 "[ . 1 . 2]" 1
357 1 29 LYS H 1 31 ALA H . . 4.340 3.921 3.769 4.058 . 0 0 "[ . 1 . 2]" 1
358 1 29 LYS H 1 31 ALA MB . . 4.580 4.377 4.273 4.581 0.001 5 0 "[ . 1 . 2]" 1
359 1 29 LYS HA 1 29 LYS QG . . 3.250 2.444 2.152 3.051 . 0 0 "[ . 1 . 2]" 1
360 1 30 ILE H 1 30 ILE HB . . 3.510 2.506 2.436 2.557 . 0 0 "[ . 1 . 2]" 1
361 1 30 ILE H 1 30 ILE MD . . 3.500 2.746 1.956 3.498 . 0 0 "[ . 1 . 2]" 1
362 1 30 ILE H 1 30 ILE QG . . 3.290 2.516 2.082 3.124 . 0 0 "[ . 1 . 2]" 1
363 1 30 ILE H 1 31 ALA H . . 2.990 2.491 2.466 2.542 . 0 0 "[ . 1 . 2]" 1
364 1 30 ILE H 1 31 ALA MB . . 4.340 4.118 4.030 4.185 . 0 0 "[ . 1 . 2]" 1
365 1 30 ILE HA 1 30 ILE MD . . 3.980 3.656 3.170 3.884 . 0 0 "[ . 1 . 2]" 1
366 1 30 ILE HA 1 30 ILE QG . . 3.580 2.379 2.252 2.472 . 0 0 "[ . 1 . 2]" 1
367 1 30 ILE HA 1 30 ILE MG . . 3.180 2.336 2.284 2.408 . 0 0 "[ . 1 . 2]" 1
368 1 30 ILE HA 1 33 LYS H . . 4.410 3.183 3.090 3.323 . 0 0 "[ . 1 . 2]" 1
369 1 30 ILE HA 1 33 LYS HB3 . . 3.690 2.106 1.999 2.341 . 0 0 "[ . 1 . 2]" 1
370 1 30 ILE HA 1 34 GLU H . . 4.580 3.804 3.533 4.040 . 0 0 "[ . 1 . 2]" 1
371 1 30 ILE HB 1 30 ILE MD . . 3.700 2.205 2.024 2.410 . 0 0 "[ . 1 . 2]" 1
372 1 30 ILE HB 1 31 ALA H . . 3.510 2.783 2.640 2.849 . 0 0 "[ . 1 . 2]" 1
373 1 30 ILE HB 1 31 ALA HA . . 4.510 4.233 4.172 4.291 . 0 0 "[ . 1 . 2]" 1
374 1 30 ILE QG 1 30 ILE MG . . 3.300 2.105 1.920 2.287 . 0 0 "[ . 1 . 2]" 1
375 1 30 ILE QG 1 31 ALA H . . 4.650 4.217 3.980 4.450 . 0 0 "[ . 1 . 2]" 1
376 1 30 ILE MG 1 31 ALA H . . 3.790 3.592 3.338 3.721 . 0 0 "[ . 1 . 2]" 1
377 1 30 ILE MG 1 31 ALA HA . . 4.160 3.603 3.324 3.825 . 0 0 "[ . 1 . 2]" 1
378 1 30 ILE MG 1 33 LYS H . . 4.890 4.235 3.945 4.486 . 0 0 "[ . 1 . 2]" 1
379 1 30 ILE MG 1 34 GLU H . . 4.230 3.429 3.180 3.777 . 0 0 "[ . 1 . 2]" 1
380 1 30 ILE MG 1 34 GLU HB2 . . 3.410 3.008 2.584 3.364 . 0 0 "[ . 1 . 2]" 1
381 1 30 ILE MG 1 34 GLU QG . . 3.280 3.026 2.118 3.281 0.001 13 0 "[ . 1 . 2]" 1
382 1 31 ALA H 1 31 ALA MB . . 2.970 2.160 2.027 2.233 . 0 0 "[ . 1 . 2]" 1
383 1 31 ALA H 1 32 ASP H . . 3.400 2.831 2.727 2.877 . 0 0 "[ . 1 . 2]" 1
384 1 31 ALA H 1 33 LYS HB3 . . 5.030 4.792 4.690 5.009 . 0 0 "[ . 1 . 2]" 1
385 1 31 ALA H 1 38 VAL QG . . 4.530 3.791 3.137 4.349 . 0 0 "[ . 1 . 2]" 1
386 1 31 ALA HA 1 32 ASP HA . . 5.090 4.694 4.686 4.706 . 0 0 "[ . 1 . 2]" 1
387 1 31 ALA HA 1 33 LYS H . . 4.890 4.229 4.164 4.301 . 0 0 "[ . 1 . 2]" 1
388 1 31 ALA HA 1 33 LYS HB3 . . 5.420 5.257 5.169 5.351 . 0 0 "[ . 1 . 2]" 1
389 1 31 ALA HA 1 34 GLU H . . 4.580 3.873 3.771 3.964 . 0 0 "[ . 1 . 2]" 1
390 1 31 ALA HA 1 35 GLY H . . 4.530 4.418 4.051 4.534 0.004 20 0 "[ . 1 . 2]" 1
391 1 31 ALA HA 1 36 VAL H . . 3.370 2.925 2.787 3.273 . 0 0 "[ . 1 . 2]" 1
392 1 31 ALA HA 1 36 VAL QG . . 5.150 2.281 2.005 2.641 . 0 0 "[ . 1 . 2]" 1
393 1 31 ALA HA 1 37 PRO HA . . 5.500 4.801 4.693 5.069 . 0 0 "[ . 1 . 2]" 1
394 1 31 ALA HA 1 38 VAL QG . . 5.420 4.083 3.381 4.598 . 0 0 "[ . 1 . 2]" 1
395 1 31 ALA MB 1 32 ASP H . . 3.250 2.480 2.388 2.658 . 0 0 "[ . 1 . 2]" 1
396 1 31 ALA MB 1 36 VAL H . . 4.630 3.914 3.589 4.223 . 0 0 "[ . 1 . 2]" 1
397 1 31 ALA MB 1 37 PRO HA . . 3.650 3.390 3.108 3.649 . 0 0 "[ . 1 . 2]" 1
398 1 31 ALA MB 1 38 VAL H . . 4.400 3.192 2.724 3.514 . 0 0 "[ . 1 . 2]" 1
399 1 31 ALA MB 1 38 VAL QG . . 3.230 2.065 1.795 2.541 . 0 0 "[ . 1 . 2]" 1
400 1 32 ASP H 1 32 ASP HB2 . . 3.840 2.548 2.261 2.856 . 0 0 "[ . 1 . 2]" 1
401 1 32 ASP H 1 32 ASP QB . . 2.980 2.294 2.210 2.504 . 0 0 "[ . 1 . 2]" 1
402 1 32 ASP H 1 32 ASP HB3 . . 3.840 2.846 2.301 3.614 . 0 0 "[ . 1 . 2]" 1
403 1 32 ASP H 1 33 LYS H . . 3.380 2.433 2.426 2.447 . 0 0 "[ . 1 . 2]" 1
404 1 32 ASP H 1 33 LYS HB2 . . 4.850 4.762 4.691 4.847 . 0 0 "[ . 1 . 2]" 1
405 1 32 ASP QB 1 33 LYS H . . 3.450 2.955 2.894 3.039 . 0 0 "[ . 1 . 2]" 1
406 1 32 ASP HB2 1 33 LYS H . . 4.260 3.766 2.970 4.245 . 0 0 "[ . 1 . 2]" 1
407 1 32 ASP HB3 1 33 LYS H . . 4.260 3.305 2.984 4.039 . 0 0 "[ . 1 . 2]" 1
408 1 33 LYS H 1 33 LYS HB2 . . 3.130 2.622 2.557 2.701 . 0 0 "[ . 1 . 2]" 1
409 1 33 LYS H 1 33 LYS HB3 . . 3.870 2.452 2.384 2.507 . 0 0 "[ . 1 . 2]" 1
410 1 33 LYS H 1 33 LYS QG . . 4.100 3.984 3.940 4.024 . 0 0 "[ . 1 . 2]" 1
411 1 33 LYS H 1 34 GLU H . . 3.230 2.605 2.552 2.667 . 0 0 "[ . 1 . 2]" 1
412 1 33 LYS HA 1 33 LYS QD . . 4.900 3.145 1.988 4.241 . 0 0 "[ . 1 . 2]" 1
413 1 33 LYS HA 1 35 GLY H . . 4.530 4.073 3.949 4.289 . 0 0 "[ . 1 . 2]" 1
414 1 33 LYS HB3 1 34 GLU H . . 4.510 2.527 2.488 2.777 . 0 0 "[ . 1 . 2]" 1
415 1 33 LYS QG 1 34 GLU H . . 4.190 3.473 3.341 3.623 . 0 0 "[ . 1 . 2]" 1
416 1 33 LYS QG 1 34 GLU HA . . 3.780 3.702 3.493 3.780 0.000 8 0 "[ . 1 . 2]" 1
417 1 34 GLU H 1 34 GLU HB2 . . 3.190 2.350 2.181 2.526 . 0 0 "[ . 1 . 2]" 1
418 1 34 GLU H 1 34 GLU QG . . 4.340 3.193 2.518 3.903 . 0 0 "[ . 1 . 2]" 1
419 1 34 GLU H 1 35 GLY H . . 3.070 2.340 2.080 2.404 . 0 0 "[ . 1 . 2]" 1
420 1 34 GLU H 1 35 GLY QA . . 5.070 4.171 4.073 4.231 . 0 0 "[ . 1 . 2]" 1
421 1 34 GLU H 1 36 VAL H . . 4.900 3.469 3.370 3.755 . 0 0 "[ . 1 . 2]" 1
422 1 34 GLU HA 1 34 GLU HB3 . . 3.020 2.616 2.475 2.763 . 0 0 "[ . 1 . 2]" 1
423 1 34 GLU HB2 1 36 VAL H . . 4.450 3.417 2.851 3.822 . 0 0 "[ . 1 . 2]" 1
424 1 34 GLU HB2 1 36 VAL QG . . 3.360 2.059 1.900 2.556 . 0 0 "[ . 1 . 2]" 1
425 1 34 GLU HB3 1 35 GLY H . . 4.550 4.158 3.716 4.374 . 0 0 "[ . 1 . 2]" 1
426 1 34 GLU HB3 1 36 VAL H . . 4.450 3.815 3.313 4.126 . 0 0 "[ . 1 . 2]" 1
427 1 34 GLU HB3 1 36 VAL QG . . 3.630 2.148 1.929 2.294 . 0 0 "[ . 1 . 2]" 1
428 1 35 GLY H 1 36 VAL H . . 3.400 2.727 2.409 2.894 . 0 0 "[ . 1 . 2]" 1
429 1 35 GLY H 1 36 VAL QG . . 4.690 3.599 3.404 3.740 . 0 0 "[ . 1 . 2]" 1
430 1 36 VAL H 1 36 VAL HB . . 3.770 3.696 3.673 3.767 . 0 0 "[ . 1 . 2]" 1
431 1 36 VAL H 1 36 VAL MG1 . . 3.920 3.098 2.905 3.256 . 0 0 "[ . 1 . 2]" 1
432 1 36 VAL H 1 36 VAL QG . . 3.220 1.929 1.881 2.164 . 0 0 "[ . 1 . 2]" 1
433 1 36 VAL H 1 36 VAL MG2 . . 3.920 1.949 1.900 2.197 . 0 0 "[ . 1 . 2]" 1
434 1 36 VAL HA 1 36 VAL QG . . 3.110 2.132 2.064 2.243 . 0 0 "[ . 1 . 2]" 1
435 1 36 VAL HA 1 37 PRO HD2 . . 3.370 2.429 2.396 2.438 . 0 0 "[ . 1 . 2]" 1
436 1 36 VAL HA 1 37 PRO QD . . 2.940 2.107 2.087 2.113 . 0 0 "[ . 1 . 2]" 1
437 1 36 VAL HA 1 37 PRO HD3 . . 3.370 2.311 2.297 2.315 . 0 0 "[ . 1 . 2]" 1
438 1 36 VAL HB 1 37 PRO QD . . 4.720 1.959 1.950 1.963 . 0 0 "[ . 1 . 2]" 1
439 1 36 VAL QG 1 37 PRO QD . . 3.400 2.603 2.513 2.786 . 0 0 "[ . 1 . 2]" 1
440 1 36 VAL QG 1 40 GLN QB . . 4.390 3.137 2.475 3.577 . 0 0 "[ . 1 . 2]" 1
441 1 37 PRO HA 1 38 VAL H . . 2.850 2.220 2.173 2.280 . 0 0 "[ . 1 . 2]" 1
442 1 37 PRO HA 1 38 VAL HA . . 5.340 4.337 4.318 4.360 . 0 0 "[ . 1 . 2]" 1
443 1 37 PRO QB 1 38 VAL H . . 3.710 3.007 2.826 3.193 . 0 0 "[ . 1 . 2]" 1
444 1 37 PRO QB 1 39 ASP H . . 3.990 2.387 2.280 2.506 . 0 0 "[ . 1 . 2]" 1
445 1 37 PRO QD 1 40 GLN QG . . 5.040 3.485 2.445 4.618 . 0 0 "[ . 1 . 2]" 1
446 1 37 PRO HG2 1 39 ASP H . . 4.050 3.907 3.540 4.072 0.022 6 0 "[ . 1 . 2]" 1
447 1 38 VAL H 1 38 VAL HB . . 3.750 3.612 3.601 3.618 . 0 0 "[ . 1 . 2]" 1
448 1 38 VAL H 1 38 VAL MG1 . . 3.240 2.249 2.004 2.509 . 0 0 "[ . 1 . 2]" 1
449 1 38 VAL H 1 38 VAL QG . . 2.810 1.893 1.833 2.027 . 0 0 "[ . 1 . 2]" 1
450 1 38 VAL H 1 38 VAL MG2 . . 3.240 2.073 1.918 2.287 . 0 0 "[ . 1 . 2]" 1
451 1 38 VAL HA 1 38 VAL MG1 . . 3.440 2.287 2.138 2.423 . 0 0 "[ . 1 . 2]" 1
452 1 38 VAL HA 1 38 VAL QG . . 3.000 2.238 2.108 2.354 . 0 0 "[ . 1 . 2]" 1
453 1 38 VAL HA 1 38 VAL MG2 . . 3.440 3.194 3.183 3.203 . 0 0 "[ . 1 . 2]" 1
454 1 38 VAL HA 1 40 GLN H . . 4.910 3.638 3.470 3.778 . 0 0 "[ . 1 . 2]" 1
455 1 38 VAL HA 1 41 GLN H . . 4.650 3.119 2.883 3.391 . 0 0 "[ . 1 . 2]" 1
456 1 38 VAL HA 1 41 GLN QG . . 4.080 2.911 1.963 3.953 . 0 0 "[ . 1 . 2]" 1
457 1 38 VAL HB 1 39 ASP H . . 4.280 3.955 3.733 4.044 . 0 0 "[ . 1 . 2]" 1
458 1 38 VAL HB 1 39 ASP HA . . 4.680 4.545 4.351 4.655 . 0 0 "[ . 1 . 2]" 1
459 1 38 VAL QG 1 39 ASP H . . 3.770 2.258 2.019 2.448 . 0 0 "[ . 1 . 2]" 1
460 1 38 VAL QG 1 40 GLN H . . 4.570 4.094 4.022 4.160 . 0 0 "[ . 1 . 2]" 1
461 1 38 VAL QG 1 41 GLN H . . 4.760 4.299 4.202 4.481 . 0 0 "[ . 1 . 2]" 1
462 1 38 VAL MG1 1 39 ASP H . . 4.620 4.031 3.892 4.139 . 0 0 "[ . 1 . 2]" 1
463 1 38 VAL MG1 1 41 GLN H . . 5.500 4.925 4.744 5.188 . 0 0 "[ . 1 . 2]" 1
464 1 38 VAL MG2 1 39 ASP H . . 4.620 2.271 2.024 2.469 . 0 0 "[ . 1 . 2]" 1
465 1 38 VAL MG2 1 41 GLN H . . 5.500 4.742 4.634 4.899 . 0 0 "[ . 1 . 2]" 1
466 1 39 ASP H 1 39 ASP QB . . 3.680 2.389 2.153 2.631 . 0 0 "[ . 1 . 2]" 1
467 1 39 ASP H 1 40 GLN H . . 3.380 2.619 2.476 2.650 . 0 0 "[ . 1 . 2]" 1
468 1 39 ASP H 1 40 GLN QB . . 4.860 4.438 4.221 4.749 . 0 0 "[ . 1 . 2]" 1
469 1 39 ASP H 1 41 GLN H . . 4.610 4.018 3.934 4.101 . 0 0 "[ . 1 . 2]" 1
470 1 39 ASP HA 1 41 GLN H . . 4.520 3.967 3.835 4.152 . 0 0 "[ . 1 . 2]" 1
471 1 40 GLN H 1 40 GLN HB2 . . 3.820 2.371 2.173 2.565 . 0 0 "[ . 1 . 2]" 1
472 1 40 GLN H 1 40 GLN QB . . 3.140 2.284 2.151 2.451 . 0 0 "[ . 1 . 2]" 1
473 1 40 GLN H 1 40 GLN HB3 . . 3.820 3.177 2.662 3.662 . 0 0 "[ . 1 . 2]" 1
474 1 40 GLN H 1 40 GLN QG . . 4.400 3.486 2.490 4.139 . 0 0 "[ . 1 . 2]" 1
475 1 40 GLN H 1 41 GLN H . . 3.060 2.266 2.117 2.382 . 0 0 "[ . 1 . 2]" 1
476 1 40 GLN HA 1 40 GLN QG . . 3.760 2.522 2.165 2.907 . 0 0 "[ . 1 . 2]" 1
477 1 41 GLN H 1 41 GLN QB . . 3.090 2.523 2.238 2.917 . 0 0 "[ . 1 . 2]" 1
478 1 41 GLN H 1 41 GLN QG . . 3.510 2.615 1.910 3.667 0.157 7 0 "[ . 1 . 2]" 1
479 1 41 GLN H 1 42 ARG H . . 4.640 4.486 4.391 4.563 . 0 0 "[ . 1 . 2]" 1
480 1 41 GLN HA 1 42 ARG H . . 2.900 2.201 2.141 2.391 . 0 0 "[ . 1 . 2]" 1
481 1 41 GLN QB 1 42 ARG H . . 3.640 3.020 2.420 3.660 0.020 7 0 "[ . 1 . 2]" 1
482 1 41 GLN QB 1 70 VAL H . . 5.480 5.068 4.290 5.475 . 0 0 "[ . 1 . 2]" 1
483 1 42 ARG H 1 42 ARG QB . . 3.410 2.605 2.522 2.627 . 0 0 "[ . 1 . 2]" 1
484 1 42 ARG H 1 70 VAL H . . 4.980 3.976 2.678 4.986 0.006 18 0 "[ . 1 . 2]" 1
485 1 42 ARG H 1 70 VAL MG2 . . 4.080 2.618 1.945 3.389 . 0 0 "[ . 1 . 2]" 1
486 1 42 ARG HA 1 42 ARG QD . . 4.620 3.223 2.178 4.162 . 0 0 "[ . 1 . 2]" 1
487 1 42 ARG HA 1 43 LEU H . . 2.940 2.215 2.142 2.301 . 0 0 "[ . 1 . 2]" 1
488 1 42 ARG QD 1 43 LEU H . . 4.930 4.095 2.555 4.932 0.002 12 0 "[ . 1 . 2]" 1
489 1 42 ARG QG 1 43 LEU H . . 3.330 2.617 1.961 3.329 . 0 0 "[ . 1 . 2]" 1
490 1 43 LEU H 1 43 LEU MD1 . . 5.100 3.802 2.482 4.302 . 0 0 "[ . 1 . 2]" 1
491 1 43 LEU H 1 43 LEU QD . . 4.170 3.208 2.112 3.811 . 0 0 "[ . 1 . 2]" 1
492 1 43 LEU H 1 43 LEU MD2 . . 5.100 3.688 2.145 4.417 . 0 0 "[ . 1 . 2]" 1
493 1 43 LEU H 1 43 LEU HG . . 4.640 3.466 2.168 4.679 0.039 20 0 "[ . 1 . 2]" 1
494 1 43 LEU H 1 70 VAL MG2 . . 5.230 4.815 4.353 5.216 . 0 0 "[ . 1 . 2]" 1
495 1 43 LEU HA 1 43 LEU MD1 . . 4.520 3.370 2.028 3.955 . 0 0 "[ . 1 . 2]" 1
496 1 43 LEU HA 1 43 LEU QD . . 3.150 2.363 1.926 3.270 0.120 3 0 "[ . 1 . 2]" 1
497 1 43 LEU HA 1 43 LEU MD2 . . 4.520 2.652 1.974 4.106 . 0 0 "[ . 1 . 2]" 1
498 1 43 LEU HA 1 44 ILE H . . 2.950 2.188 2.139 2.308 . 0 0 "[ . 1 . 2]" 1
499 1 43 LEU QB 1 44 ILE HA . . 4.440 4.117 3.998 4.515 0.075 13 0 "[ . 1 . 2]" 1
500 1 43 LEU QB 1 50 LEU QD . . 4.120 2.616 1.846 4.143 0.023 13 0 "[ . 1 . 2]" 1
501 1 43 LEU QD 1 44 ILE H . . 3.950 3.090 2.200 3.966 0.016 19 0 "[ . 1 . 2]" 1
502 1 43 LEU QD 1 50 LEU QB . . 5.130 3.014 1.937 4.731 . 0 0 "[ . 1 . 2]" 1
503 1 44 ILE H 1 44 ILE HB . . 3.390 2.799 2.756 2.846 . 0 0 "[ . 1 . 2]" 1
504 1 44 ILE H 1 44 ILE MD . . 4.780 3.837 2.395 4.268 . 0 0 "[ . 1 . 2]" 1
505 1 44 ILE H 1 44 ILE HG12 . . 4.660 4.107 3.871 4.528 . 0 0 "[ . 1 . 2]" 1
506 1 44 ILE H 1 44 ILE QG . . 4.010 2.973 2.744 3.502 . 0 0 "[ . 1 . 2]" 1
507 1 44 ILE H 1 44 ILE HG13 . . 4.660 3.054 2.807 3.646 . 0 0 "[ . 1 . 2]" 1
508 1 44 ILE H 1 44 ILE MG . . 4.520 3.912 3.884 3.938 . 0 0 "[ . 1 . 2]" 1
509 1 44 ILE H 1 45 PHE H . . 4.380 4.371 4.336 4.383 0.003 4 0 "[ . 1 . 2]" 1
510 1 44 ILE H 1 68 HIS QB . . 4.520 3.437 1.944 4.519 . 0 0 "[ . 1 . 2]" 1
511 1 44 ILE HA 1 44 ILE MD . . 3.970 3.764 3.373 3.878 . 0 0 "[ . 1 . 2]" 1
512 1 44 ILE HA 1 44 ILE HG12 . . 4.200 2.768 2.483 3.549 . 0 0 "[ . 1 . 2]" 1
513 1 44 ILE HA 1 44 ILE QG . . 3.460 2.428 2.309 2.493 . 0 0 "[ . 1 . 2]" 1
514 1 44 ILE HA 1 44 ILE HG13 . . 4.200 2.926 2.342 3.164 . 0 0 "[ . 1 . 2]" 1
515 1 44 ILE HA 1 44 ILE MG . . 3.390 2.341 2.230 2.402 . 0 0 "[ . 1 . 2]" 1
516 1 44 ILE HA 1 45 PHE H . . 3.030 2.208 2.181 2.214 . 0 0 "[ . 1 . 2]" 1
517 1 44 ILE HA 1 48 LYS H . . 5.030 4.113 3.941 4.766 . 0 0 "[ . 1 . 2]" 1
518 1 44 ILE HA 1 49 GLN HA . . 3.310 2.818 2.344 3.317 0.007 8 0 "[ . 1 . 2]" 1
519 1 44 ILE HA 1 50 LEU MD1 . . 5.300 3.527 2.033 5.114 . 0 0 "[ . 1 . 2]" 1
520 1 44 ILE HA 1 50 LEU QD . . 4.380 2.741 2.018 4.117 . 0 0 "[ . 1 . 2]" 1
521 1 44 ILE HA 1 50 LEU MD2 . . 5.300 3.896 2.021 5.302 0.002 10 0 "[ . 1 . 2]" 1
522 1 44 ILE HB 1 44 ILE MD . . 3.720 2.293 2.078 2.446 . 0 0 "[ . 1 . 2]" 1
523 1 44 ILE HB 1 45 PHE H . . 4.290 3.951 3.877 4.052 . 0 0 "[ . 1 . 2]" 1
524 1 44 ILE HB 1 68 HIS HA . . 5.500 5.465 5.301 5.518 0.018 13 0 "[ . 1 . 2]" 1
525 1 44 ILE HB 1 68 HIS HB2 . . 4.070 2.924 2.341 4.123 0.053 18 0 "[ . 1 . 2]" 1
526 1 44 ILE HB 1 68 HIS QB . . 3.520 2.713 2.307 3.075 . 0 0 "[ . 1 . 2]" 1
527 1 44 ILE HB 1 68 HIS HB3 . . 4.070 3.529 3.082 4.039 . 0 0 "[ . 1 . 2]" 1
528 1 44 ILE MD 1 49 GLN HA . . 4.690 4.495 3.724 4.705 0.015 18 0 "[ . 1 . 2]" 1
529 1 44 ILE MD 1 49 GLN QG . . 4.170 3.632 3.005 4.186 0.016 10 0 "[ . 1 . 2]" 1
530 1 44 ILE QG 1 45 PHE H . . 5.340 4.083 4.006 4.168 . 0 0 "[ . 1 . 2]" 1
531 1 44 ILE QG 1 49 GLN HA . . 3.690 3.016 2.221 3.238 . 0 0 "[ . 1 . 2]" 1
532 1 44 ILE MG 1 45 PHE H . . 3.400 2.276 2.027 2.437 . 0 0 "[ . 1 . 2]" 1
533 1 44 ILE MG 1 45 PHE QB . . 4.730 4.095 4.021 4.184 . 0 0 "[ . 1 . 2]" 1
534 1 44 ILE MG 1 46 ALA H . . 3.880 3.545 3.411 3.754 . 0 0 "[ . 1 . 2]" 1
535 1 44 ILE MG 1 47 GLY H . . 3.370 2.125 1.949 2.342 . 0 0 "[ . 1 . 2]" 1
536 1 44 ILE MG 1 47 GLY QA . . 3.780 2.481 2.224 2.701 . 0 0 "[ . 1 . 2]" 1
537 1 44 ILE MG 1 48 LYS H . . 3.590 2.521 2.155 3.223 . 0 0 "[ . 1 . 2]" 1
538 1 44 ILE MG 1 49 GLN HA . . 3.810 3.444 2.832 3.815 0.005 6 0 "[ . 1 . 2]" 1
539 1 44 ILE MG 1 49 GLN QG . . 4.520 3.553 3.084 4.374 . 0 0 "[ . 1 . 2]" 1
540 1 44 ILE MG 1 68 HIS QB . . 4.720 3.400 2.767 3.798 . 0 0 "[ . 1 . 2]" 1
541 1 45 PHE H 1 45 PHE HB2 . . 4.120 3.072 2.868 3.256 . 0 0 "[ . 1 . 2]" 1
542 1 45 PHE H 1 45 PHE QB . . 3.480 2.593 2.516 2.659 . 0 0 "[ . 1 . 2]" 1
543 1 45 PHE H 1 45 PHE HB3 . . 4.120 2.802 2.619 2.910 . 0 0 "[ . 1 . 2]" 1
544 1 45 PHE H 1 45 PHE QD . . 4.940 4.314 4.144 4.393 . 0 0 "[ . 1 . 2]" 1
545 1 45 PHE H 1 48 LYS H . . 3.780 2.401 2.221 3.107 . 0 0 "[ . 1 . 2]" 1
546 1 45 PHE H 1 48 LYS HA . . 5.010 4.335 4.238 4.578 . 0 0 "[ . 1 . 2]" 1
547 1 45 PHE H 1 48 LYS QB . . 4.370 3.013 2.723 3.562 . 0 0 "[ . 1 . 2]" 1
548 1 45 PHE H 1 49 GLN HA . . 5.280 3.991 3.567 4.421 . 0 0 "[ . 1 . 2]" 1
549 1 45 PHE H 1 50 LEU QD . . 4.040 2.723 2.082 3.481 . 0 0 "[ . 1 . 2]" 1
550 1 45 PHE H 1 50 LEU HG . . 5.500 4.475 3.103 5.507 0.007 16 0 "[ . 1 . 2]" 1
551 1 45 PHE HA 1 45 PHE QD . . 3.470 3.098 3.004 3.130 . 0 0 "[ . 1 . 2]" 1
552 1 45 PHE HA 1 46 ALA H . . 3.050 2.158 2.154 2.161 . 0 0 "[ . 1 . 2]" 1
553 1 45 PHE HA 1 46 ALA HA . . 4.770 4.381 4.371 4.386 . 0 0 "[ . 1 . 2]" 1
554 1 45 PHE HA 1 67 LEU QD . . 4.120 3.415 2.587 4.136 0.016 16 0 "[ . 1 . 2]" 1
555 1 45 PHE QB 1 46 ALA H . . 4.380 3.923 3.912 3.940 . 0 0 "[ . 1 . 2]" 1
556 1 45 PHE QB 1 50 LEU QD . . 3.070 2.031 1.750 2.458 . 0 0 "[ . 1 . 2]" 1
557 1 45 PHE QB 1 61 ILE MD . . 3.380 3.072 2.899 3.173 . 0 0 "[ . 1 . 2]" 1
558 1 45 PHE QB 1 61 ILE MG . . 4.750 4.118 3.540 4.653 . 0 0 "[ . 1 . 2]" 1
559 1 45 PHE QB 1 67 LEU QD . . 3.830 2.760 2.290 3.623 . 0 0 "[ . 1 . 2]" 1
560 1 45 PHE HB2 1 46 ALA H . . 5.080 4.483 4.373 4.527 . 0 0 "[ . 1 . 2]" 1
561 1 45 PHE HB2 1 50 LEU MD1 . . 4.580 2.573 1.938 3.724 . 0 0 "[ . 1 . 2]" 1
562 1 45 PHE HB2 1 50 LEU MD2 . . 4.580 2.803 1.962 3.576 . 0 0 "[ . 1 . 2]" 1
563 1 45 PHE HB2 1 61 ILE MD . . 3.900 3.399 3.218 3.638 . 0 0 "[ . 1 . 2]" 1
564 1 45 PHE HB2 1 67 LEU MD1 . . 6.040 3.340 2.318 4.803 . 0 0 "[ . 1 . 2]" 1
565 1 45 PHE HB2 1 67 LEU MD2 . . 6.040 3.741 2.353 4.619 . 0 0 "[ . 1 . 2]" 1
566 1 45 PHE HB3 1 46 ALA H . . 5.080 4.335 4.280 4.457 . 0 0 "[ . 1 . 2]" 1
567 1 45 PHE HB3 1 50 LEU MD1 . . 4.580 3.039 2.014 4.586 0.006 9 0 "[ . 1 . 2]" 1
568 1 45 PHE HB3 1 50 LEU MD2 . . 4.580 3.048 2.373 3.921 . 0 0 "[ . 1 . 2]" 1
569 1 45 PHE HB3 1 61 ILE MD . . 3.900 3.524 3.140 3.802 . 0 0 "[ . 1 . 2]" 1
570 1 45 PHE HB3 1 67 LEU MD1 . . 6.040 4.727 3.740 6.058 0.018 14 0 "[ . 1 . 2]" 1
571 1 45 PHE HB3 1 67 LEU MD2 . . 6.040 5.171 3.863 6.055 0.015 1 0 "[ . 1 . 2]" 1
572 1 45 PHE QD 1 46 ALA H . . 4.290 3.662 3.320 4.014 . 0 0 "[ . 1 . 2]" 1
573 1 45 PHE QD 1 46 ALA MB . . 4.090 2.332 2.025 2.941 . 0 0 "[ . 1 . 2]" 1
574 1 45 PHE QD 1 59 TYR QB . . 5.340 4.777 4.512 4.950 . 0 0 "[ . 1 . 2]" 1
575 1 45 PHE QD 1 61 ILE HG12 . . 5.500 5.205 4.990 5.442 . 0 0 "[ . 1 . 2]" 1
576 1 45 PHE QD 1 61 ILE QG . . 4.820 4.552 4.329 4.811 . 0 0 "[ . 1 . 2]" 1
577 1 45 PHE QD 1 61 ILE HG13 . . 5.500 5.030 4.747 5.375 . 0 0 "[ . 1 . 2]" 1
578 1 45 PHE QD 1 65 SER QB . . 4.610 4.342 3.884 4.619 0.009 15 0 "[ . 1 . 2]" 1
579 1 45 PHE QD 1 67 LEU HA . . 3.880 2.839 2.042 3.754 . 0 0 "[ . 1 . 2]" 1
580 1 45 PHE QD 1 67 LEU QD . . 4.260 2.167 1.741 2.899 . 0 0 "[ . 1 . 2]" 1
581 1 45 PHE QD 1 67 LEU HG . . 4.850 3.118 1.990 4.874 0.024 20 0 "[ . 1 . 2]" 1
582 1 45 PHE QE 1 46 ALA MB . . 4.840 2.970 2.863 3.154 . 0 0 "[ . 1 . 2]" 1
583 1 45 PHE QE 1 61 ILE HB . . 3.640 2.974 2.526 3.286 . 0 0 "[ . 1 . 2]" 1
584 1 45 PHE QE 1 61 ILE MD . . 5.280 2.710 2.328 3.314 . 0 0 "[ . 1 . 2]" 1
585 1 45 PHE QE 1 61 ILE MG . . 4.540 2.593 2.206 2.762 . 0 0 "[ . 1 . 2]" 1
586 1 45 PHE QE 1 65 SER QB . . 4.240 2.445 1.956 2.809 . 0 0 "[ . 1 . 2]" 1
587 1 45 PHE HZ 1 46 ALA MB . . 4.930 4.675 4.040 4.943 0.013 12 0 "[ . 1 . 2]" 1
588 1 45 PHE HZ 1 65 SER QB . . 4.100 3.587 1.968 4.138 0.038 20 0 "[ . 1 . 2]" 1
589 1 45 PHE HZ 1 66 THR H . . 4.220 3.446 2.691 4.164 . 0 0 "[ . 1 . 2]" 1
590 1 46 ALA H 1 46 ALA MB . . 3.440 2.810 2.771 2.879 . 0 0 "[ . 1 . 2]" 1
591 1 46 ALA H 1 47 GLY H . . 3.620 2.748 2.629 2.791 . 0 0 "[ . 1 . 2]" 1
592 1 46 ALA HA 1 47 GLY H . . 3.420 2.921 2.896 2.947 . 0 0 "[ . 1 . 2]" 1
593 1 46 ALA HA 1 48 LYS H . . 5.080 4.518 4.297 4.556 . 0 0 "[ . 1 . 2]" 1
594 1 46 ALA MB 1 47 GLY H . . 4.440 3.634 3.618 3.647 . 0 0 "[ . 1 . 2]" 1
595 1 48 LYS H 1 48 LYS QB . . 3.160 2.467 2.296 2.576 . 0 0 "[ . 1 . 2]" 1
596 1 48 LYS H 1 48 LYS QG . . 4.100 3.598 2.547 4.173 0.073 20 0 "[ . 1 . 2]" 1
597 1 48 LYS HA 1 48 LYS QG . . 3.690 2.547 2.135 2.907 . 0 0 "[ . 1 . 2]" 1
598 1 48 LYS HA 1 49 GLN H . . 2.830 2.145 2.141 2.159 . 0 0 "[ . 1 . 2]" 1
599 1 48 LYS HA 1 50 LEU QD . . 4.830 4.520 3.804 4.835 0.005 6 0 "[ . 1 . 2]" 1
600 1 48 LYS QB 1 50 LEU QD . . 4.000 2.842 2.000 3.339 . 0 0 "[ . 1 . 2]" 1
601 1 48 LYS QB 1 61 ILE MD . . 4.960 4.826 4.540 4.965 0.005 11 0 "[ . 1 . 2]" 1
602 1 48 LYS QB 1 61 ILE MG . . 5.500 5.416 4.835 5.546 0.046 20 0 "[ . 1 . 2]" 1
603 1 48 LYS QG 1 59 TYR QD . . 5.390 4.048 2.860 5.121 . 0 0 "[ . 1 . 2]" 1
604 1 49 GLN H 1 49 GLN QB . . 2.910 2.348 2.165 2.711 . 0 0 "[ . 1 . 2]" 1
605 1 49 GLN H 1 49 GLN QG . . 3.930 2.730 2.035 3.572 . 0 0 "[ . 1 . 2]" 1
606 1 49 GLN HA 1 50 LEU H . . 3.000 2.148 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
607 1 49 GLN QB 1 50 LEU H . . 3.910 3.367 3.148 3.640 . 0 0 "[ . 1 . 2]" 1
608 1 49 GLN QG 1 50 LEU H . . 4.420 4.115 3.729 4.431 0.011 10 0 "[ . 1 . 2]" 1
609 1 50 LEU H 1 50 LEU MD1 . . 4.410 2.937 1.918 4.014 . 0 0 "[ . 1 . 2]" 1
610 1 50 LEU H 1 50 LEU QD . . 3.690 2.273 1.850 3.031 . 0 0 "[ . 1 . 2]" 1
611 1 50 LEU H 1 50 LEU MD2 . . 4.410 3.189 1.872 4.293 . 0 0 "[ . 1 . 2]" 1
612 1 50 LEU H 1 50 LEU HG . . 3.770 3.026 2.121 3.923 0.153 5 0 "[ . 1 . 2]" 1
613 1 50 LEU HA 1 50 LEU MD1 . . 4.570 3.362 1.991 4.099 . 0 0 "[ . 1 . 2]" 1
614 1 50 LEU HA 1 50 LEU QD . . 3.340 2.613 1.980 3.260 . 0 0 "[ . 1 . 2]" 1
615 1 50 LEU HA 1 50 LEU MD2 . . 4.570 3.032 2.116 3.667 . 0 0 "[ . 1 . 2]" 1
616 1 50 LEU HA 1 51 GLU H . . 2.950 2.190 2.140 2.393 . 0 0 "[ . 1 . 2]" 1
617 1 50 LEU HA 1 51 GLU HA . . 4.620 4.380 4.357 4.391 . 0 0 "[ . 1 . 2]" 1
618 1 50 LEU HA 1 51 GLU QG . . 5.280 3.927 3.465 4.726 . 0 0 "[ . 1 . 2]" 1
619 1 50 LEU HA 1 54 LYS QB . . 5.340 3.330 2.735 4.247 . 0 0 "[ . 1 . 2]" 1
620 1 50 LEU HA 1 59 TYR QE . . 4.420 2.891 2.047 3.991 . 0 0 "[ . 1 . 2]" 1
621 1 50 LEU QB 1 51 GLU H . . 3.810 3.051 2.404 3.349 . 0 0 "[ . 1 . 2]" 1
622 1 50 LEU QB 1 59 TYR QE . . 3.530 3.178 1.971 3.580 0.050 8 0 "[ . 1 . 2]" 1
623 1 50 LEU QD 1 51 GLU H . . 4.520 3.910 3.066 4.402 . 0 0 "[ . 1 . 2]" 1
624 1 50 LEU QD 1 59 TYR QB . . 5.280 3.513 2.937 4.562 . 0 0 "[ . 1 . 2]" 1
625 1 50 LEU QD 1 59 TYR QD . . 3.820 2.564 1.933 3.810 . 0 0 "[ . 1 . 2]" 1
626 1 50 LEU QD 1 59 TYR QE . . 3.790 2.444 1.867 3.371 . 0 0 "[ . 1 . 2]" 1
627 1 50 LEU MD1 1 51 GLU H . . 5.280 4.660 3.168 5.230 . 0 0 "[ . 1 . 2]" 1
628 1 50 LEU MD1 1 59 TYR QE . . 4.370 3.506 1.885 4.383 0.013 11 0 "[ . 1 . 2]" 1
629 1 50 LEU MD2 1 51 GLU H . . 5.280 4.413 3.869 4.992 . 0 0 "[ . 1 . 2]" 1
630 1 50 LEU MD2 1 59 TYR QE . . 4.370 2.927 2.147 4.464 0.094 5 0 "[ . 1 . 2]" 1
631 1 51 GLU H 1 51 GLU QG . . 3.440 2.807 1.973 3.445 0.005 8 0 "[ . 1 . 2]" 1
632 1 51 GLU H 1 52 ASP H . . 4.590 4.522 4.493 4.558 . 0 0 "[ . 1 . 2]" 1
633 1 51 GLU H 1 54 LYS QG . . 3.130 2.238 1.848 3.133 0.003 15 0 "[ . 1 . 2]" 1
634 1 51 GLU H 1 59 TYR QE . . 4.140 3.798 2.580 4.170 0.030 5 0 "[ . 1 . 2]" 1
635 1 51 GLU HA 1 51 GLU QG . . 3.730 2.545 2.142 3.336 . 0 0 "[ . 1 . 2]" 1
636 1 51 GLU HA 1 52 ASP H . . 2.770 2.447 2.217 2.536 . 0 0 "[ . 1 . 2]" 1
637 1 51 GLU QB 1 52 ASP H . . 3.770 2.340 2.124 3.066 . 0 0 "[ . 1 . 2]" 1
638 1 51 GLU QB 1 53 SER H . . 3.890 2.408 2.183 2.750 . 0 0 "[ . 1 . 2]" 1
639 1 52 ASP H 1 52 ASP QB . . 3.110 2.435 2.196 2.680 . 0 0 "[ . 1 . 2]" 1
640 1 52 ASP QB 1 53 SER H . . 3.870 3.530 2.992 3.707 . 0 0 "[ . 1 . 2]" 1
641 1 53 SER H 1 53 SER HB2 . . 4.080 2.721 2.261 3.644 . 0 0 "[ . 1 . 2]" 1
642 1 53 SER H 1 53 SER QB . . 3.350 2.412 2.237 2.704 . 0 0 "[ . 1 . 2]" 1
643 1 53 SER H 1 53 SER HB3 . . 4.080 2.965 2.364 3.688 . 0 0 "[ . 1 . 2]" 1
644 1 53 SER H 1 54 LYS H . . 3.280 2.576 2.289 2.780 . 0 0 "[ . 1 . 2]" 1
645 1 53 SER H 1 54 LYS QD . . 5.340 5.163 4.537 5.367 0.027 12 0 "[ . 1 . 2]" 1
646 1 53 SER H 1 54 LYS QG . . 4.650 3.552 3.244 4.037 . 0 0 "[ . 1 . 2]" 1
647 1 54 LYS H 1 54 LYS HB2 . . 3.820 2.624 2.399 2.803 . 0 0 "[ . 1 . 2]" 1
648 1 54 LYS H 1 54 LYS QB . . 3.110 2.574 2.367 2.737 . 0 0 "[ . 1 . 2]" 1
649 1 54 LYS H 1 54 LYS HB3 . . 3.820 3.736 3.599 3.840 0.020 15 0 "[ . 1 . 2]" 1
650 1 54 LYS H 1 54 LYS HG2 . . 4.100 3.059 2.250 4.099 . 0 0 "[ . 1 . 2]" 1
651 1 54 LYS H 1 54 LYS QG . . 3.550 2.699 2.232 3.130 . 0 0 "[ . 1 . 2]" 1
652 1 54 LYS H 1 54 LYS HG3 . . 4.100 3.540 2.328 4.128 0.028 8 0 "[ . 1 . 2]" 1
653 1 54 LYS H 1 55 THR H . . 5.050 4.436 4.065 4.611 . 0 0 "[ . 1 . 2]" 1
654 1 54 LYS HA 1 54 LYS HD2 . . 4.950 3.537 1.999 4.800 . 0 0 "[ . 1 . 2]" 1
655 1 54 LYS HA 1 54 LYS QD . . 4.180 2.898 1.988 4.095 . 0 0 "[ . 1 . 2]" 1
656 1 54 LYS HA 1 54 LYS HD3 . . 4.950 3.414 2.004 4.479 . 0 0 "[ . 1 . 2]" 1
657 1 54 LYS HA 1 55 THR H . . 3.250 2.320 2.144 2.519 . 0 0 "[ . 1 . 2]" 1
658 1 54 LYS HA 1 58 ASP QB . . 4.410 3.395 2.527 4.009 . 0 0 "[ . 1 . 2]" 1
659 1 54 LYS QB 1 55 THR H . . 3.430 2.697 2.153 3.451 0.021 10 0 "[ . 1 . 2]" 1
660 1 54 LYS HB2 1 59 TYR QE . . 4.390 3.191 2.794 3.860 . 0 0 "[ . 1 . 2]" 1
661 1 54 LYS HB3 1 59 TYR QE . . 4.390 2.506 1.993 3.222 . 0 0 "[ . 1 . 2]" 1
662 1 54 LYS QE 1 59 TYR QE . . 4.200 3.418 2.330 4.213 0.013 12 0 "[ . 1 . 2]" 1
663 1 55 THR H 1 55 THR MG . . 3.450 2.899 2.226 3.478 0.028 10 0 "[ . 1 . 2]" 1
664 1 55 THR H 1 58 ASP H . . 4.610 3.523 3.085 4.046 . 0 0 "[ . 1 . 2]" 1
665 1 55 THR H 1 58 ASP QB . . 3.560 2.162 1.864 2.821 . 0 0 "[ . 1 . 2]" 1
666 1 55 THR HA 1 55 THR MG . . 3.450 2.376 1.973 2.517 . 0 0 "[ . 1 . 2]" 1
667 1 55 THR HA 1 56 MET H . . 3.380 2.450 2.341 2.544 . 0 0 "[ . 1 . 2]" 1
668 1 55 THR HA 1 57 ALA H . . 4.850 4.417 4.164 4.759 . 0 0 "[ . 1 . 2]" 1
669 1 55 THR HB 1 56 MET H . . 3.150 2.368 2.141 2.653 . 0 0 "[ . 1 . 2]" 1
670 1 55 THR HB 1 57 ALA H . . 4.000 3.029 2.538 3.406 . 0 0 "[ . 1 . 2]" 1
671 1 55 THR HB 1 58 ASP H . . 4.310 3.838 3.011 4.133 . 0 0 "[ . 1 . 2]" 1
672 1 55 THR MG 1 56 MET H . . 4.180 3.705 2.506 4.002 . 0 0 "[ . 1 . 2]" 1
673 1 55 THR MG 1 57 ALA H . . 4.680 4.364 3.621 4.653 . 0 0 "[ . 1 . 2]" 1
674 1 55 THR MG 1 58 ASP H . . 4.680 4.275 3.796 4.568 . 0 0 "[ . 1 . 2]" 1
675 1 56 MET H 1 56 MET QB . . 3.660 2.490 2.230 2.618 . 0 0 "[ . 1 . 2]" 1
676 1 56 MET H 1 56 MET ME . . 4.170 3.630 3.143 4.076 . 0 0 "[ . 1 . 2]" 1
677 1 56 MET H 1 56 MET HG2 . . 3.980 2.290 1.944 4.114 0.134 16 0 "[ . 1 . 2]" 1
678 1 56 MET H 1 56 MET QG . . 3.440 2.160 1.935 2.970 . 0 0 "[ . 1 . 2]" 1
679 1 56 MET H 1 56 MET HG3 . . 3.980 3.446 2.847 3.650 . 0 0 "[ . 1 . 2]" 1
680 1 56 MET H 1 57 ALA H . . 3.700 2.701 2.521 2.912 . 0 0 "[ . 1 . 2]" 1
681 1 56 MET H 1 57 ALA MB . . 4.430 4.292 4.108 4.449 0.019 7 0 "[ . 1 . 2]" 1
682 1 56 MET H 1 62 GLN QG . . 5.500 5.346 5.075 5.540 0.040 20 0 "[ . 1 . 2]" 1
683 1 56 MET HA 1 56 MET ME . . 4.060 3.628 2.745 4.162 0.102 16 0 "[ . 1 . 2]" 1
684 1 56 MET HA 1 59 TYR QD . . 4.580 4.039 3.518 4.595 0.015 11 0 "[ . 1 . 2]" 1
685 1 56 MET HA 1 61 ILE HB . . 5.190 4.875 4.400 5.202 0.012 10 0 "[ . 1 . 2]" 1
686 1 56 MET HA 1 61 ILE MD . . 3.550 2.831 2.232 3.352 . 0 0 "[ . 1 . 2]" 1
687 1 56 MET QB 1 57 ALA H . . 3.410 2.594 2.291 2.874 . 0 0 "[ . 1 . 2]" 1
688 1 56 MET QB 1 61 ILE MD . . 4.910 3.865 3.461 4.341 . 0 0 "[ . 1 . 2]" 1
689 1 56 MET HB2 1 57 ALA H . . 4.100 2.652 2.322 2.953 . 0 0 "[ . 1 . 2]" 1
690 1 56 MET HB3 1 57 ALA H . . 4.100 3.707 3.484 3.944 . 0 0 "[ . 1 . 2]" 1
691 1 56 MET ME 1 56 MET QG . . 3.540 2.160 1.978 2.233 . 0 0 "[ . 1 . 2]" 1
692 1 56 MET ME 1 67 LEU QD . . 2.860 2.205 1.759 2.867 0.007 16 0 "[ . 1 . 2]" 1
693 1 57 ALA H 1 57 ALA MB . . 2.970 2.075 2.028 2.167 . 0 0 "[ . 1 . 2]" 1
694 1 57 ALA H 1 58 ASP H . . 3.650 2.574 2.472 2.720 . 0 0 "[ . 1 . 2]" 1
695 1 57 ALA H 1 58 ASP QB . . 4.740 4.419 4.208 4.755 0.015 7 0 "[ . 1 . 2]" 1
696 1 57 ALA H 1 62 GLN QG . . 4.770 4.426 3.941 4.784 0.014 20 0 "[ . 1 . 2]" 1
697 1 57 ALA HA 1 60 ASN H . . 4.350 3.403 3.240 3.497 . 0 0 "[ . 1 . 2]" 1
698 1 57 ALA HA 1 61 ILE H . . 4.440 3.987 3.492 4.451 0.011 2 0 "[ . 1 . 2]" 1
699 1 57 ALA MB 1 58 ASP H . . 3.430 2.898 2.659 3.080 . 0 0 "[ . 1 . 2]" 1
700 1 58 ASP H 1 58 ASP HB2 . . 3.720 2.428 2.200 2.796 . 0 0 "[ . 1 . 2]" 1
701 1 58 ASP H 1 58 ASP QB . . 3.080 2.287 2.147 2.517 . 0 0 "[ . 1 . 2]" 1
702 1 58 ASP H 1 58 ASP HB3 . . 3.720 3.059 2.297 3.607 . 0 0 "[ . 1 . 2]" 1
703 1 58 ASP H 1 59 TYR H . . 3.470 2.604 2.448 2.769 . 0 0 "[ . 1 . 2]" 1
704 1 58 ASP H 1 61 ILE H . . 5.170 5.083 4.807 5.197 0.027 7 0 "[ . 1 . 2]" 1
705 1 58 ASP QB 1 59 TYR H . . 3.850 2.561 2.415 2.710 . 0 0 "[ . 1 . 2]" 1
706 1 58 ASP HB2 1 59 TYR H . . 4.430 3.264 2.457 4.056 . 0 0 "[ . 1 . 2]" 1
707 1 58 ASP HB3 1 59 TYR H . . 4.430 3.012 2.446 3.681 . 0 0 "[ . 1 . 2]" 1
708 1 59 TYR H 1 59 TYR HB2 . . 4.070 2.246 2.176 2.305 . 0 0 "[ . 1 . 2]" 1
709 1 59 TYR H 1 59 TYR QB . . 3.290 2.222 2.154 2.278 . 0 0 "[ . 1 . 2]" 1
710 1 59 TYR H 1 59 TYR HB3 . . 4.070 3.526 3.453 3.573 . 0 0 "[ . 1 . 2]" 1
711 1 59 TYR H 1 60 ASN H . . 3.300 2.468 2.363 2.580 . 0 0 "[ . 1 . 2]" 1
712 1 59 TYR H 1 60 ASN HA . . 4.970 4.654 4.582 4.714 . 0 0 "[ . 1 . 2]" 1
713 1 59 TYR H 1 61 ILE MD . . 5.500 4.163 3.922 4.367 . 0 0 "[ . 1 . 2]" 1
714 1 59 TYR H 1 61 ILE QG . . 4.720 3.360 3.121 3.506 . 0 0 "[ . 1 . 2]" 1
715 1 59 TYR H 1 61 ILE MG . . 5.410 4.958 4.819 5.064 . 0 0 "[ . 1 . 2]" 1
716 1 59 TYR QB 1 61 ILE H . . 4.490 3.114 3.031 3.200 . 0 0 "[ . 1 . 2]" 1
717 1 59 TYR QB 1 61 ILE MD . . 4.170 2.217 2.116 2.343 . 0 0 "[ . 1 . 2]" 1
718 1 59 TYR QB 1 61 ILE QG . . 4.100 1.925 1.881 2.018 . 0 0 "[ . 1 . 2]" 1
719 1 59 TYR QB 1 61 ILE MG . . 4.720 2.550 2.433 2.727 . 0 0 "[ . 1 . 2]" 1
720 1 59 TYR QD 1 61 ILE MD . . 4.350 3.112 2.706 3.472 . 0 0 "[ . 1 . 2]" 1
721 1 60 ASN H 1 60 ASN QB . . 3.680 3.201 2.859 3.444 . 0 0 "[ . 1 . 2]" 1
722 1 60 ASN H 1 61 ILE H . . 3.690 2.662 2.597 2.793 . 0 0 "[ . 1 . 2]" 1
723 1 60 ASN HA 1 61 ILE H . . 3.560 2.912 2.841 2.988 . 0 0 "[ . 1 . 2]" 1
724 1 60 ASN HA 1 61 ILE MG . . 4.880 4.780 4.750 4.826 . 0 0 "[ . 1 . 2]" 1
725 1 61 ILE H 1 61 ILE HB . . 3.710 3.657 3.649 3.665 . 0 0 "[ . 1 . 2]" 1
726 1 61 ILE H 1 61 ILE HG12 . . 4.270 1.959 1.922 2.024 . 0 0 "[ . 1 . 2]" 1
727 1 61 ILE H 1 61 ILE QG . . 3.460 1.902 1.880 1.943 . 0 0 "[ . 1 . 2]" 1
728 1 61 ILE H 1 61 ILE HG13 . . 4.270 2.584 2.508 2.658 . 0 0 "[ . 1 . 2]" 1
729 1 61 ILE H 1 61 ILE MG . . 3.960 3.014 2.980 3.097 . 0 0 "[ . 1 . 2]" 1
730 1 61 ILE H 1 62 GLN H . . 4.420 4.273 4.252 4.290 . 0 0 "[ . 1 . 2]" 1
731 1 61 ILE HA 1 61 ILE HG12 . . 3.930 3.635 3.624 3.658 . 0 0 "[ . 1 . 2]" 1
732 1 61 ILE HA 1 61 ILE HG13 . . 3.930 3.745 3.717 3.762 . 0 0 "[ . 1 . 2]" 1
733 1 61 ILE HA 1 61 ILE MG . . 3.390 2.235 2.141 2.277 . 0 0 "[ . 1 . 2]" 1
734 1 61 ILE HA 1 62 GLN H . . 2.970 2.144 2.142 2.146 . 0 0 "[ . 1 . 2]" 1
735 1 61 ILE HB 1 61 ILE MD . . 3.320 2.379 2.294 2.459 . 0 0 "[ . 1 . 2]" 1
736 1 61 ILE MD 1 65 SER QB . . 4.580 3.592 3.286 3.784 . 0 0 "[ . 1 . 2]" 1
737 1 61 ILE QG 1 62 GLN H . . 4.510 4.383 4.372 4.397 . 0 0 "[ . 1 . 2]" 1
738 1 61 ILE HG12 1 62 GLN H . . 5.270 5.242 5.210 5.285 0.015 20 0 "[ . 1 . 2]" 1
739 1 61 ILE HG13 1 62 GLN H . . 5.270 4.699 4.683 4.720 . 0 0 "[ . 1 . 2]" 1
740 1 61 ILE MG 1 62 GLN H . . 4.020 3.884 3.852 3.924 . 0 0 "[ . 1 . 2]" 1
741 1 61 ILE MG 1 65 SER QB . . 3.970 3.834 3.321 4.048 0.078 15 0 "[ . 1 . 2]" 1
742 1 62 GLN H 1 62 GLN QB . . 3.500 2.785 2.754 2.820 . 0 0 "[ . 1 . 2]" 1
743 1 62 GLN H 1 63 LYS QE . . 5.500 4.515 2.913 5.530 0.030 6 0 "[ . 1 . 2]" 1
744 1 62 GLN H 1 63 LYS QG . . 5.500 5.072 4.639 5.696 0.196 6 0 "[ . 1 . 2]" 1
745 1 62 GLN HA 1 63 LYS H . . 3.180 2.631 2.585 2.699 . 0 0 "[ . 1 . 2]" 1
746 1 62 GLN HA 1 63 LYS QB . . 5.340 4.598 4.419 4.681 . 0 0 "[ . 1 . 2]" 1
747 1 62 GLN QB 1 63 LYS H . . 3.350 1.986 1.859 2.170 . 0 0 "[ . 1 . 2]" 1
748 1 62 GLN QB 1 63 LYS HA . . 4.630 3.853 3.794 3.931 . 0 0 "[ . 1 . 2]" 1
749 1 62 GLN QB 1 63 LYS QB . . 3.860 3.638 3.218 3.827 . 0 0 "[ . 1 . 2]" 1
750 1 63 LYS H 1 63 LYS QB . . 3.550 3.267 2.950 3.378 . 0 0 "[ . 1 . 2]" 1
751 1 63 LYS H 1 63 LYS QG . . 4.390 2.944 2.573 4.273 . 0 0 "[ . 1 . 2]" 1
752 1 63 LYS H 1 64 GLU H . . 4.880 3.175 2.911 3.397 . 0 0 "[ . 1 . 2]" 1
753 1 63 LYS HA 1 63 LYS QG . . 4.010 2.457 2.169 2.568 . 0 0 "[ . 1 . 2]" 1
754 1 63 LYS HA 1 64 GLU H . . 2.910 2.353 2.238 2.514 . 0 0 "[ . 1 . 2]" 1
755 1 63 LYS HA 1 64 GLU HA . . 4.600 4.488 4.417 4.592 . 0 0 "[ . 1 . 2]" 1
756 1 63 LYS HA 1 64 GLU QG . . 4.930 3.338 3.136 3.475 . 0 0 "[ . 1 . 2]" 1
757 1 63 LYS HA 1 65 SER H . . 4.550 4.013 3.880 4.204 . 0 0 "[ . 1 . 2]" 1
758 1 63 LYS QB 1 64 GLU H . . 4.110 3.871 3.720 4.043 . 0 0 "[ . 1 . 2]" 1
759 1 63 LYS QG 1 64 GLU H . . 4.470 4.337 3.580 4.507 0.037 16 0 "[ . 1 . 2]" 1
760 1 63 LYS QG 1 64 GLU QG . . 4.590 4.222 2.342 4.615 0.025 1 0 "[ . 1 . 2]" 1
761 1 64 GLU H 1 64 GLU HG2 . . 4.530 2.840 2.609 3.025 . 0 0 "[ . 1 . 2]" 1
762 1 64 GLU H 1 64 GLU QG . . 3.880 2.686 2.571 2.768 . 0 0 "[ . 1 . 2]" 1
763 1 64 GLU H 1 64 GLU HG3 . . 4.530 3.421 3.133 4.325 . 0 0 "[ . 1 . 2]" 1
764 1 64 GLU H 1 65 SER H . . 3.540 2.617 2.601 2.635 . 0 0 "[ . 1 . 2]" 1
765 1 64 GLU HA 1 64 GLU QG . . 3.540 2.566 2.487 3.080 . 0 0 "[ . 1 . 2]" 1
766 1 64 GLU HG2 1 65 SER H . . 5.500 4.806 4.511 4.957 . 0 0 "[ . 1 . 2]" 1
767 1 64 GLU HG3 1 65 SER H . . 5.500 5.001 4.743 5.666 0.166 12 0 "[ . 1 . 2]" 1
768 1 65 SER H 1 65 SER HB2 . . 3.810 2.391 2.078 3.593 . 0 0 "[ . 1 . 2]" 1
769 1 65 SER H 1 65 SER QB . . 3.110 2.221 2.057 2.915 . 0 0 "[ . 1 . 2]" 1
770 1 65 SER H 1 65 SER HB3 . . 3.810 3.298 2.479 3.528 . 0 0 "[ . 1 . 2]" 1
771 1 65 SER H 1 66 THR H . . 4.780 4.582 4.565 4.647 . 0 0 "[ . 1 . 2]" 1
772 1 65 SER HA 1 66 THR H . . 3.050 2.185 2.161 2.377 . 0 0 "[ . 1 . 2]" 1
773 1 65 SER HA 1 66 THR HB . . 4.780 4.649 4.532 4.796 0.016 20 0 "[ . 1 . 2]" 1
774 1 65 SER QB 1 66 THR H . . 3.680 3.214 2.554 3.424 . 0 0 "[ . 1 . 2]" 1
775 1 65 SER QB 1 67 LEU QD . . 4.470 3.783 2.450 4.485 0.015 10 0 "[ . 1 . 2]" 1
776 1 66 THR H 1 66 THR HB . . 3.480 2.618 2.475 2.960 . 0 0 "[ . 1 . 2]" 1
777 1 66 THR H 1 66 THR MG . . 4.380 3.147 1.918 3.809 . 0 0 "[ . 1 . 2]" 1
778 1 66 THR H 1 67 LEU H . . 4.920 4.425 4.287 4.592 . 0 0 "[ . 1 . 2]" 1
779 1 66 THR HA 1 66 THR MG . . 3.450 2.626 2.262 3.195 . 0 0 "[ . 1 . 2]" 1
780 1 66 THR HA 1 67 LEU H . . 2.950 2.158 2.141 2.230 . 0 0 "[ . 1 . 2]" 1
781 1 66 THR HA 1 67 LEU HB3 . . 5.500 5.067 4.668 5.533 0.033 14 0 "[ . 1 . 2]" 1
782 1 66 THR HA 1 67 LEU QD . . 5.320 4.869 3.464 5.277 . 0 0 "[ . 1 . 2]" 1
783 1 66 THR HB 1 67 LEU H . . 4.720 4.262 3.954 4.403 . 0 0 "[ . 1 . 2]" 1
784 1 66 THR MG 1 67 LEU H . . 4.140 3.222 1.971 4.163 0.023 17 0 "[ . 1 . 2]" 1
785 1 67 LEU H 1 67 LEU HB2 . . 3.600 2.621 2.309 2.990 . 0 0 "[ . 1 . 2]" 1
786 1 67 LEU H 1 67 LEU QD . . 4.330 3.707 3.044 3.883 . 0 0 "[ . 1 . 2]" 1
787 1 67 LEU HA 1 67 LEU MD1 . . 4.450 2.914 1.940 3.753 . 0 0 "[ . 1 . 2]" 1
788 1 67 LEU HA 1 67 LEU QD . . 3.540 2.469 1.857 3.018 . 0 0 "[ . 1 . 2]" 1
789 1 67 LEU HA 1 67 LEU MD2 . . 4.450 3.079 2.088 3.826 . 0 0 "[ . 1 . 2]" 1
790 1 67 LEU HA 1 67 LEU HG . . 4.100 2.734 2.250 3.649 . 0 0 "[ . 1 . 2]" 1
791 1 67 LEU HA 1 68 HIS H . . 3.180 2.376 2.206 2.410 . 0 0 "[ . 1 . 2]" 1
792 1 67 LEU HA 1 68 HIS QB . . 4.620 4.303 4.068 4.514 . 0 0 "[ . 1 . 2]" 1
793 1 67 LEU HA 1 68 HIS HD2 . . 3.920 3.174 2.636 3.940 0.020 18 0 "[ . 1 . 2]" 1
794 1 67 LEU HB2 1 67 LEU MD1 . . 3.490 2.355 1.972 3.193 . 0 0 "[ . 1 . 2]" 1
795 1 67 LEU HB2 1 67 LEU MD2 . . 3.490 2.751 2.220 3.151 . 0 0 "[ . 1 . 2]" 1
796 1 67 LEU HB2 1 68 HIS H . . 4.900 3.994 3.871 4.333 . 0 0 "[ . 1 . 2]" 1
797 1 67 LEU HB3 1 68 HIS H . . 3.420 3.162 2.582 3.465 0.045 2 0 "[ . 1 . 2]" 1
798 1 67 LEU HB3 1 68 HIS HA . . 4.520 4.353 4.040 4.542 0.022 19 0 "[ . 1 . 2]" 1
799 1 67 LEU QD 1 68 HIS H . . 4.670 2.149 1.928 2.954 . 0 0 "[ . 1 . 2]" 1
800 1 67 LEU QD 1 68 HIS QB . . 4.270 3.794 3.400 4.200 . 0 0 "[ . 1 . 2]" 1
801 1 67 LEU QD 1 68 HIS HD2 . . 4.870 4.028 2.253 4.868 . 0 0 "[ . 1 . 2]" 1
802 1 68 HIS H 1 68 HIS HB2 . . 4.120 2.667 2.382 3.663 . 0 0 "[ . 1 . 2]" 1
803 1 68 HIS H 1 68 HIS QB . . 3.390 2.564 2.346 2.739 . 0 0 "[ . 1 . 2]" 1
804 1 68 HIS H 1 68 HIS HB3 . . 4.120 3.672 2.562 3.869 . 0 0 "[ . 1 . 2]" 1
805 1 68 HIS H 1 68 HIS HD2 . . 4.930 3.030 2.103 3.690 . 0 0 "[ . 1 . 2]" 1
806 1 68 HIS HA 1 69 MET H . . 2.940 2.168 2.141 2.319 . 0 0 "[ . 1 . 2]" 1
807 1 68 HIS QB 1 68 HIS HD2 . . 3.480 2.950 2.789 3.181 . 0 0 "[ . 1 . 2]" 1
808 1 68 HIS QB 1 69 MET H . . 3.790 3.259 2.698 3.509 . 0 0 "[ . 1 . 2]" 1
809 1 68 HIS HB2 1 69 MET H . . 4.430 4.212 2.740 4.446 0.016 6 0 "[ . 1 . 2]" 1
810 1 68 HIS HB3 1 69 MET H . . 4.430 3.453 2.834 4.043 . 0 0 "[ . 1 . 2]" 1
811 1 69 MET H 1 69 MET HB2 . . 3.730 3.176 2.696 3.753 0.023 12 0 "[ . 1 . 2]" 1
812 1 69 MET H 1 69 MET HB3 . . 3.730 2.773 2.552 2.998 . 0 0 "[ . 1 . 2]" 1
813 1 69 MET H 1 69 MET QG . . 4.410 3.565 2.202 4.229 . 0 0 "[ . 1 . 2]" 1
814 1 69 MET H 1 70 VAL MG1 . . 4.620 4.200 3.665 4.603 . 0 0 "[ . 1 . 2]" 1
815 1 69 MET HA 1 69 MET HG2 . . 4.030 3.181 2.190 4.193 0.163 12 0 "[ . 1 . 2]" 1
816 1 69 MET HA 1 69 MET QG . . 3.410 2.743 2.168 3.383 . 0 0 "[ . 1 . 2]" 1
817 1 69 MET HA 1 69 MET HG3 . . 4.030 3.250 2.634 3.675 . 0 0 "[ . 1 . 2]" 1
818 1 69 MET HA 1 70 VAL H . . 2.840 2.195 2.141 2.249 . 0 0 "[ . 1 . 2]" 1
819 1 69 MET HA 1 70 VAL MG2 . . 3.690 3.579 3.401 3.689 . 0 0 "[ . 1 . 2]" 1
820 1 69 MET ME 1 70 VAL H . . 5.090 3.865 1.928 4.872 . 0 0 "[ . 1 . 2]" 1
821 1 69 MET ME 1 70 VAL HA . . 4.920 4.408 3.480 4.938 0.018 12 0 "[ . 1 . 2]" 1
822 1 69 MET QG 1 70 VAL H . . 3.780 3.042 2.234 3.936 0.156 12 0 "[ . 1 . 2]" 1
823 1 70 VAL H 1 70 VAL HB . . 4.040 3.765 3.677 3.856 . 0 0 "[ . 1 . 2]" 1
824 1 70 VAL H 1 70 VAL MG2 . . 3.500 2.045 1.918 2.237 . 0 0 "[ . 1 . 2]" 1
825 1 70 VAL H 1 71 LEU H . . 4.970 4.348 4.220 4.540 . 0 0 "[ . 1 . 2]" 1
826 1 70 VAL HA 1 70 VAL MG1 . . 3.330 2.280 2.121 2.388 . 0 0 "[ . 1 . 2]" 1
827 1 70 VAL HA 1 71 LEU H . . 2.950 2.185 2.140 2.348 . 0 0 "[ . 1 . 2]" 1
828 1 70 VAL HA 1 71 LEU HG . . 5.150 3.978 3.597 4.491 . 0 0 "[ . 1 . 2]" 1
829 1 70 VAL HB 1 71 LEU H . . 3.480 3.146 2.519 3.482 0.002 3 0 "[ . 1 . 2]" 1
830 1 70 VAL MG1 1 71 LEU H . . 4.380 3.813 3.516 3.944 . 0 0 "[ . 1 . 2]" 1
831 1 71 LEU H 1 71 LEU HB2 . . 4.190 3.304 2.278 3.784 . 0 0 "[ . 1 . 2]" 1
832 1 71 LEU H 1 71 LEU QB . . 3.640 2.737 2.253 3.012 . 0 0 "[ . 1 . 2]" 1
833 1 71 LEU H 1 71 LEU HB3 . . 4.190 3.241 2.829 3.763 . 0 0 "[ . 1 . 2]" 1
834 1 71 LEU H 1 71 LEU QD . . 4.600 3.136 2.528 3.534 . 0 0 "[ . 1 . 2]" 1
835 1 71 LEU H 1 71 LEU HG . . 3.110 2.383 1.949 3.085 . 0 0 "[ . 1 . 2]" 1
836 1 71 LEU HA 1 71 LEU MD1 . . 4.320 3.722 3.561 3.954 . 0 0 "[ . 1 . 2]" 1
837 1 71 LEU HA 1 71 LEU QD . . 3.510 2.979 2.025 3.431 . 0 0 "[ . 1 . 2]" 1
838 1 71 LEU HA 1 71 LEU MD2 . . 4.320 3.411 2.033 4.086 . 0 0 "[ . 1 . 2]" 1
839 1 71 LEU HA 1 72 ARG H . . 3.190 2.192 2.140 2.227 . 0 0 "[ . 1 . 2]" 1
840 1 71 LEU HA 1 72 ARG QB . . 4.420 4.108 3.943 4.442 0.022 13 0 "[ . 1 . 2]" 1
841 1 71 LEU QB 1 72 ARG H . . 4.340 3.010 2.829 3.566 . 0 0 "[ . 1 . 2]" 1
842 1 71 LEU QD 1 72 ARG H . . 3.660 3.458 3.192 3.659 . 0 0 "[ . 1 . 2]" 1
843 1 72 ARG H 1 72 ARG QB . . 3.300 2.522 2.277 3.147 . 0 0 "[ . 1 . 2]" 1
844 1 72 ARG HA 1 72 ARG QD . . 3.870 2.758 1.997 3.841 . 0 0 "[ . 1 . 2]" 1
845 1 72 ARG HA 1 72 ARG QG . . 3.610 2.534 2.070 3.454 . 0 0 "[ . 1 . 2]" 1
846 1 72 ARG HA 1 73 LEU H . . 2.920 2.199 2.141 2.291 . 0 0 "[ . 1 . 2]" 1
847 1 72 ARG QB 1 72 ARG QD . . 3.430 2.220 1.925 2.583 . 0 0 "[ . 1 . 2]" 1
848 1 72 ARG QD 1 73 LEU H . . 4.880 3.825 2.334 5.024 0.144 13 0 "[ . 1 . 2]" 1
849 1 73 LEU H 1 73 LEU QD . . 4.420 2.629 1.927 3.410 . 0 0 "[ . 1 . 2]" 1
850 1 73 LEU H 1 73 LEU HG . . 3.220 2.725 1.999 3.176 . 0 0 "[ . 1 . 2]" 1
851 1 73 LEU HA 1 73 LEU QD . . 3.560 2.822 1.970 3.424 . 0 0 "[ . 1 . 2]" 1
852 1 73 LEU HA 1 73 LEU HG . . 3.700 3.146 2.437 3.698 . 0 0 "[ . 1 . 2]" 1
853 1 73 LEU HA 1 74 ARG H . . 2.980 2.443 2.150 2.836 . 0 0 "[ . 1 . 2]" 1
854 1 73 LEU QB 1 73 LEU HG . . 2.520 2.429 2.316 2.484 . 0 0 "[ . 1 . 2]" 1
855 1 73 LEU QB 1 74 ARG H . . 4.150 2.683 2.115 3.890 . 0 0 "[ . 1 . 2]" 1
856 1 73 LEU QD 1 74 ARG H . . 4.700 3.651 2.303 4.485 . 0 0 "[ . 1 . 2]" 1
857 1 74 ARG H 1 74 ARG QG . . 4.590 2.991 1.990 4.161 . 0 0 "[ . 1 . 2]" 1
858 1 74 ARG QB 1 75 GLY H . . 4.850 2.829 2.103 4.040 . 0 0 "[ . 1 . 2]" 1
859 1 74 ARG QG 1 75 GLY H . . 4.750 3.748 2.379 4.451 . 0 0 "[ . 1 . 2]" 1
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