NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399823 |
1ufz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ufz
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 853
_Distance_constraint_stats_list.Viol_count 1162
_Distance_constraint_stats_list.Viol_total 2114.479
_Distance_constraint_stats_list.Viol_max 0.961
_Distance_constraint_stats_list.Viol_rms 0.0448
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0910
_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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 1.074 0.170 16 0 "[ . 1 . 2]"
1 21 LEU 0.911 0.408 1 0 "[ . 1 . 2]"
1 22 LEU 0.911 0.408 1 0 "[ . 1 . 2]"
1 24 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLN 0.811 0.087 14 0 "[ . 1 . 2]"
1 26 LEU 1.098 0.286 5 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 2.768 0.453 16 0 "[ . 1 . 2]"
1 29 ILE 0.957 0.128 4 0 "[ . 1 . 2]"
1 30 ASP 0.318 0.286 5 0 "[ . 1 . 2]"
1 31 GLN 0.138 0.031 9 0 "[ . 1 . 2]"
1 32 ALA 4.547 0.287 9 0 "[ . 1 . 2]"
1 33 ARG 4.269 0.837 16 1 "[ . 1 .+ 2]"
1 34 LEU 5.406 0.866 20 3 "[ . -*1 . +]"
1 35 TYR 7.159 0.402 20 0 "[ . 1 . 2]"
1 36 SER 4.577 0.901 20 5 "[ * **1 - +]"
1 37 CYS 14.408 0.901 20 5 "[ * **1 - +]"
1 38 LEU 2.829 0.402 20 0 "[ . 1 . 2]"
1 39 ASP 2.352 0.553 5 1 "[ + 1 . 2]"
1 40 HIS 2.769 0.600 19 3 "[ .- *1 . +2]"
1 41 MET 3.362 0.179 14 0 "[ . 1 . 2]"
1 42 ARG 17.517 0.866 19 8 "[ * * 1- **. **+2]"
1 43 GLU 8.468 0.600 19 3 "[ .- *1 . +2]"
1 44 VAL 4.334 0.264 20 0 "[ . 1 . 2]"
1 45 LEU 6.210 0.547 13 1 "[ . 1 + . 2]"
1 46 GLY 0.861 0.183 16 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.134 0.068 18 0 "[ . 1 . 2]"
1 49 VAL 1.327 0.386 16 0 "[ . 1 . 2]"
1 50 PRO 1.089 0.127 7 0 "[ . 1 . 2]"
1 51 ASP 1.314 0.094 10 0 "[ . 1 . 2]"
1 52 ASP 6.451 0.961 5 7 "[-***+ ** . 2]"
1 53 ILE 7.636 0.961 5 7 "[-***+ ** . 2]"
1 54 LEU 2.645 0.386 16 0 "[ . 1 . 2]"
1 55 THR 0.603 0.043 9 0 "[ . 1 . 2]"
1 56 GLU 0.737 0.068 12 0 "[ . 1 . 2]"
1 57 ALA 1.653 0.408 9 0 "[ . 1 . 2]"
1 58 ILE 4.005 0.573 5 2 "[ + 1 - 2]"
1 59 LEU 1.057 0.140 9 0 "[ . 1 . 2]"
1 60 LYS 5.996 0.408 9 0 "[ . 1 . 2]"
1 61 HIS 6.442 0.424 11 0 "[ . 1 . 2]"
1 62 LYS 0.281 0.093 19 0 "[ . 1 . 2]"
1 63 PHE 1.771 0.837 16 1 "[ . 1 .+ 2]"
1 64 ASP 1.429 0.278 18 0 "[ . 1 . 2]"
1 65 VAL 2.641 0.844 5 3 "[ + * 1 - 2]"
1 66 GLN 3.085 0.341 14 0 "[ . 1 . 2]"
1 67 LYS 3.959 0.424 11 0 "[ . 1 . 2]"
1 68 ALA 1.113 0.328 14 0 "[ . 1 . 2]"
1 69 LEU 5.989 0.241 12 0 "[ . 1 . 2]"
1 70 SER 0.116 0.029 12 0 "[ . 1 . 2]"
1 71 VAL 0.278 0.040 11 0 "[ . 1 . 2]"
1 72 VAL 1.944 0.152 11 0 "[ . 1 . 2]"
1 73 LEU 1.511 0.489 19 0 "[ . 1 . 2]"
1 74 GLU 0.121 0.037 11 0 "[ . 1 . 2]"
1 75 GLN 0.066 0.024 6 0 "[ . 1 . 2]"
1 76 ASP 0.042 0.006 12 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 5.007 0.265 15 0 "[ . 1 . 2]"
1 80 PRO 5.007 0.265 15 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 8 GLU HB2 1 9 TYR H . . 4.560 3.503 2.395 4.448 . 0 0 "[ . 1 . 2]" 1
2 1 9 TYR HA 1 9 TYR QD . . 4.150 2.817 2.103 3.099 . 0 0 "[ . 1 . 2]" 1
3 1 9 TYR HA 1 9 TYR QE . . 4.890 4.565 4.367 4.853 . 0 0 "[ . 1 . 2]" 1
4 1 9 TYR HA 1 10 GLY QA . . 4.820 4.550 4.465 4.583 . 0 0 "[ . 1 . 2]" 1
5 1 10 GLY H 1 11 TYR H . . 5.500 3.085 2.746 3.268 . 0 0 "[ . 1 . 2]" 1
6 1 11 TYR H 1 12 GLU H . . 5.090 3.091 2.949 3.220 . 0 0 "[ . 1 . 2]" 1
7 1 11 TYR HB2 1 12 GLU H . . 5.500 3.118 2.288 3.872 . 0 0 "[ . 1 . 2]" 1
8 1 15 ARG H 1 15 ARG QG . . 4.730 3.516 2.410 4.300 . 0 0 "[ . 1 . 2]" 1
9 1 15 ARG HB3 1 15 ARG QG . . 2.400 2.395 2.179 2.570 0.170 16 0 "[ . 1 . 2]" 1
10 1 21 LEU H 1 22 LEU H . . 4.510 3.015 2.566 3.175 . 0 0 "[ . 1 . 2]" 1
11 1 21 LEU H 1 22 LEU HB2 . . 5.220 4.912 4.573 5.628 0.408 1 0 "[ . 1 . 2]" 1
12 1 22 LEU H 1 22 LEU HB2 . . 3.750 2.154 1.984 2.624 . 0 0 "[ . 1 . 2]" 1
13 1 22 LEU H 1 22 LEU HB3 . . 3.820 3.048 2.290 3.538 . 0 0 "[ . 1 . 2]" 1
14 1 22 LEU HA 1 22 LEU MD2 . . 4.000 3.200 1.970 3.949 . 0 0 "[ . 1 . 2]" 1
15 1 24 HIS HD2 1 25 GLN HA . . 5.020 4.106 2.715 4.786 . 0 0 "[ . 1 . 2]" 1
16 1 25 GLN HA 1 25 GLN HB3 . . 3.050 2.808 2.425 3.050 0.000 14 0 "[ . 1 . 2]" 1
17 1 25 GLN HA 1 25 GLN QG . . 3.430 2.306 1.979 3.333 . 0 0 "[ . 1 . 2]" 1
18 1 25 GLN HA 1 26 LEU H . . 3.550 3.584 3.498 3.637 0.087 14 0 "[ . 1 . 2]" 1
19 1 25 GLN HB3 1 25 GLN QG . . 2.740 2.376 2.191 2.568 . 0 0 "[ . 1 . 2]" 1
20 1 25 GLN QG 1 26 LEU H . . 5.500 4.099 2.412 4.605 . 0 0 "[ . 1 . 2]" 1
21 1 26 LEU H 1 26 LEU HB2 . . 3.950 3.162 2.147 3.603 . 0 0 "[ . 1 . 2]" 1
22 1 26 LEU H 1 26 LEU MD1 . . 4.930 4.301 3.553 4.579 . 0 0 "[ . 1 . 2]" 1
23 1 26 LEU H 1 26 LEU MD2 . . 4.900 3.732 3.311 4.216 . 0 0 "[ . 1 . 2]" 1
24 1 26 LEU H 1 26 LEU HG . . 3.600 3.112 2.696 3.461 . 0 0 "[ . 1 . 2]" 1
25 1 26 LEU HA 1 26 LEU MD2 . . 3.440 2.076 1.963 2.590 . 0 0 "[ . 1 . 2]" 1
26 1 26 LEU HB2 1 26 LEU MD1 . . 3.400 2.300 1.996 2.410 . 0 0 "[ . 1 . 2]" 1
27 1 26 LEU HB2 1 30 ASP HB2 . . 4.860 4.512 3.584 5.146 0.286 5 0 "[ . 1 . 2]" 1
28 1 26 LEU HB2 1 30 ASP HB3 . . 5.500 4.874 3.824 5.501 0.001 15 0 "[ . 1 . 2]" 1
29 1 26 LEU HB2 1 31 GLN H . . 4.770 4.518 3.835 4.770 0.000 6 0 "[ . 1 . 2]" 1
30 1 26 LEU HB2 1 31 GLN HA . . 5.500 4.165 3.255 4.612 . 0 0 "[ . 1 . 2]" 1
31 1 26 LEU HB2 1 31 GLN QB . . 4.540 4.350 4.008 4.536 . 0 0 "[ . 1 . 2]" 1
32 1 26 LEU HB2 1 31 GLN QG . . 4.360 2.954 2.379 4.318 . 0 0 "[ . 1 . 2]" 1
33 1 26 LEU HB3 1 27 SER H . . 5.500 3.188 1.964 4.192 . 0 0 "[ . 1 . 2]" 1
34 1 26 LEU HB3 1 30 ASP HB2 . . 3.920 2.873 2.024 3.538 . 0 0 "[ . 1 . 2]" 1
35 1 26 LEU HB3 1 30 ASP HB3 . . 4.110 3.346 2.281 4.035 . 0 0 "[ . 1 . 2]" 1
36 1 26 LEU HB3 1 31 GLN H . . 4.950 3.128 2.665 3.646 . 0 0 "[ . 1 . 2]" 1
37 1 26 LEU HB3 1 31 GLN QB . . 4.690 3.643 2.944 4.578 . 0 0 "[ . 1 . 2]" 1
38 1 26 LEU HB3 1 31 GLN QG . . 4.580 2.965 2.005 3.889 . 0 0 "[ . 1 . 2]" 1
39 1 26 LEU MD1 1 30 ASP HB2 . . 5.230 4.063 3.526 4.741 . 0 0 "[ . 1 . 2]" 1
40 1 26 LEU MD1 1 30 ASP HB3 . . 5.250 3.500 2.771 4.421 . 0 0 "[ . 1 . 2]" 1
41 1 26 LEU MD1 1 31 GLN HA . . 3.280 3.184 2.851 3.279 . 0 0 "[ . 1 . 2]" 1
42 1 26 LEU MD1 1 31 GLN QG . . 3.840 3.233 2.572 3.724 . 0 0 "[ . 1 . 2]" 1
43 1 26 LEU MD1 1 63 PHE HZ . . 4.210 2.965 1.889 4.114 . 0 0 "[ . 1 . 2]" 1
44 1 26 LEU MD2 1 27 SER H . . 4.000 2.884 2.046 3.868 . 0 0 "[ . 1 . 2]" 1
45 1 26 LEU MD2 1 30 ASP HA . . 5.500 4.393 3.511 5.384 . 0 0 "[ . 1 . 2]" 1
46 1 26 LEU MD2 1 30 ASP HB2 . . 4.380 2.558 2.012 3.628 . 0 0 "[ . 1 . 2]" 1
47 1 26 LEU MD2 1 30 ASP HB3 . . 3.640 2.242 1.827 3.277 . 0 0 "[ . 1 . 2]" 1
48 1 26 LEU MD2 1 31 GLN HA . . 5.500 4.318 2.696 5.108 . 0 0 "[ . 1 . 2]" 1
49 1 26 LEU MD2 1 31 GLN QG . . 5.500 4.491 3.388 5.111 . 0 0 "[ . 1 . 2]" 1
50 1 26 LEU MD2 1 63 PHE HZ . . 3.740 2.560 1.865 3.381 . 0 0 "[ . 1 . 2]" 1
51 1 27 SER H 1 27 SER QB . . 3.780 2.310 2.100 3.011 . 0 0 "[ . 1 . 2]" 1
52 1 27 SER H 1 30 ASP HB2 . . 4.680 2.760 1.951 3.673 . 0 0 "[ . 1 . 2]" 1
53 1 27 SER HA 1 27 SER QB . . 2.700 2.431 2.182 2.536 . 0 0 "[ . 1 . 2]" 1
54 1 27 SER QB 1 28 GLU H . . 4.610 2.792 2.534 3.150 . 0 0 "[ . 1 . 2]" 1
55 1 27 SER QB 1 28 GLU QB . . 5.000 4.198 3.828 4.799 . 0 0 "[ . 1 . 2]" 1
56 1 27 SER QB 1 29 ILE H . . 4.450 2.734 2.189 3.125 . 0 0 "[ . 1 . 2]" 1
57 1 27 SER QB 1 29 ILE HA . . 5.500 5.025 4.669 5.296 . 0 0 "[ . 1 . 2]" 1
58 1 27 SER QB 1 29 ILE HB . . 5.140 3.182 2.835 3.613 . 0 0 "[ . 1 . 2]" 1
59 1 28 GLU H 1 29 ILE H . . 4.950 2.992 2.712 3.206 . 0 0 "[ . 1 . 2]" 1
60 1 28 GLU HA 1 28 GLU HG2 . . 3.980 3.228 2.114 3.987 0.007 5 0 "[ . 1 . 2]" 1
61 1 28 GLU HA 1 28 GLU HG3 . . 3.540 3.048 2.057 3.993 0.453 16 0 "[ . 1 . 2]" 1
62 1 28 GLU HA 1 31 GLN H . . 4.410 3.767 3.455 4.024 . 0 0 "[ . 1 . 2]" 1
63 1 28 GLU HA 1 31 GLN QB . . 3.380 2.517 2.176 2.975 . 0 0 "[ . 1 . 2]" 1
64 1 28 GLU HA 1 31 GLN QG . . 4.320 4.205 3.834 4.327 0.007 14 0 "[ . 1 . 2]" 1
65 1 28 GLU QB 1 29 ILE H . . 3.810 2.814 2.117 3.678 . 0 0 "[ . 1 . 2]" 1
66 1 28 GLU QB 1 29 ILE HA . . 4.470 4.006 3.666 4.424 . 0 0 "[ . 1 . 2]" 1
67 1 28 GLU QB 1 29 ILE MD . . 4.360 3.843 3.121 4.362 0.002 19 0 "[ . 1 . 2]" 1
68 1 28 GLU HG2 1 29 ILE HA . . 5.500 4.714 3.531 5.395 . 0 0 "[ . 1 . 2]" 1
69 1 29 ILE H 1 29 ILE HB . . 3.290 2.361 2.130 2.526 . 0 0 "[ . 1 . 2]" 1
70 1 29 ILE H 1 29 ILE MD . . 4.340 2.646 2.032 3.746 . 0 0 "[ . 1 . 2]" 1
71 1 29 ILE H 1 29 ILE HG12 . . 4.330 3.512 2.519 3.953 . 0 0 "[ . 1 . 2]" 1
72 1 29 ILE H 1 29 ILE HG13 . . 4.670 2.702 1.972 3.978 . 0 0 "[ . 1 . 2]" 1
73 1 29 ILE H 1 29 ILE MG . . 4.350 3.680 3.552 3.717 . 0 0 "[ . 1 . 2]" 1
74 1 29 ILE H 1 30 ASP H . . 3.860 2.988 2.609 3.224 . 0 0 "[ . 1 . 2]" 1
75 1 29 ILE HA 1 29 ILE MD . . 4.520 3.345 1.951 3.861 . 0 0 "[ . 1 . 2]" 1
76 1 29 ILE HA 1 29 ILE HG12 . . 3.250 3.058 2.802 3.240 . 0 0 "[ . 1 . 2]" 1
77 1 29 ILE HA 1 29 ILE HG13 . . 3.510 2.625 2.252 3.578 0.068 19 0 "[ . 1 . 2]" 1
78 1 29 ILE HA 1 29 ILE MG . . 3.170 2.503 2.425 2.652 . 0 0 "[ . 1 . 2]" 1
79 1 29 ILE HA 1 32 ALA H . . 4.450 3.688 3.405 3.907 . 0 0 "[ . 1 . 2]" 1
80 1 29 ILE HA 1 32 ALA MB . . 3.730 2.824 2.540 3.166 . 0 0 "[ . 1 . 2]" 1
81 1 29 ILE HA 1 33 ARG H . . 4.670 4.503 4.002 4.653 . 0 0 "[ . 1 . 2]" 1
82 1 29 ILE HB 1 29 ILE HG12 . . 2.850 2.785 2.406 2.978 0.128 4 0 "[ . 1 . 2]" 1
83 1 29 ILE HB 1 30 ASP H . . 4.050 2.335 2.134 2.627 . 0 0 "[ . 1 . 2]" 1
84 1 29 ILE HG12 1 30 ASP H . . 5.220 4.896 4.591 5.113 . 0 0 "[ . 1 . 2]" 1
85 1 29 ILE HG13 1 30 ASP H . . 5.500 4.600 4.318 4.993 . 0 0 "[ . 1 . 2]" 1
86 1 29 ILE MG 1 30 ASP H . . 4.510 2.869 2.233 3.350 . 0 0 "[ . 1 . 2]" 1
87 1 29 ILE MG 1 30 ASP HA . . 4.350 3.196 2.757 3.558 . 0 0 "[ . 1 . 2]" 1
88 1 29 ILE MG 1 32 ALA MB . . 5.500 3.773 3.404 4.162 . 0 0 "[ . 1 . 2]" 1
89 1 29 ILE MG 1 33 ARG H . . 4.740 4.156 3.788 4.436 . 0 0 "[ . 1 . 2]" 1
90 1 29 ILE MG 1 33 ARG HD2 . . 5.500 3.310 2.193 4.098 . 0 0 "[ . 1 . 2]" 1
91 1 29 ILE MG 1 33 ARG HD3 . . 4.940 4.594 3.646 5.025 0.085 9 0 "[ . 1 . 2]" 1
92 1 29 ILE MG 1 33 ARG HG2 . . 4.870 3.865 2.747 4.790 . 0 0 "[ . 1 . 2]" 1
93 1 30 ASP H 1 30 ASP HB2 . . 3.600 2.486 2.123 2.822 . 0 0 "[ . 1 . 2]" 1
94 1 30 ASP H 1 31 GLN H . . 3.920 2.995 2.745 3.179 . 0 0 "[ . 1 . 2]" 1
95 1 30 ASP HA 1 33 ARG H . . 3.880 3.576 3.270 3.866 . 0 0 "[ . 1 . 2]" 1
96 1 30 ASP HA 1 33 ARG QB . . 3.360 3.058 2.682 3.378 0.018 9 0 "[ . 1 . 2]" 1
97 1 30 ASP HA 1 33 ARG HD2 . . 4.740 3.363 2.147 4.596 . 0 0 "[ . 1 . 2]" 1
98 1 30 ASP HA 1 33 ARG HD3 . . 5.170 4.345 3.139 5.172 0.002 1 0 "[ . 1 . 2]" 1
99 1 30 ASP HA 1 33 ARG HG2 . . 5.360 4.189 2.294 5.011 . 0 0 "[ . 1 . 2]" 1
100 1 30 ASP HA 1 33 ARG HG3 . . 4.100 2.873 2.005 3.966 . 0 0 "[ . 1 . 2]" 1
101 1 30 ASP HA 1 34 LEU H . . 4.480 4.125 3.909 4.492 0.012 14 0 "[ . 1 . 2]" 1
102 1 30 ASP HA 1 63 PHE HZ . . 5.040 4.000 3.358 4.541 . 0 0 "[ . 1 . 2]" 1
103 1 30 ASP HB2 1 31 GLN H . . 5.240 2.310 1.955 2.762 . 0 0 "[ . 1 . 2]" 1
104 1 30 ASP HB2 1 63 PHE HZ . . 4.850 4.034 3.560 4.700 . 0 0 "[ . 1 . 2]" 1
105 1 30 ASP HB3 1 31 GLN H . . 5.500 3.242 2.806 3.626 . 0 0 "[ . 1 . 2]" 1
106 1 30 ASP HB3 1 63 PHE HZ . . 3.800 2.444 2.019 2.960 . 0 0 "[ . 1 . 2]" 1
107 1 31 GLN H 1 31 GLN QB . . 3.410 2.051 2.000 2.118 . 0 0 "[ . 1 . 2]" 1
108 1 31 GLN H 1 31 GLN QG . . 3.870 3.282 2.944 3.823 . 0 0 "[ . 1 . 2]" 1
109 1 31 GLN H 1 32 ALA H . . 3.880 3.088 2.938 3.203 . 0 0 "[ . 1 . 2]" 1
110 1 31 GLN H 1 33 ARG H . . 5.500 4.491 4.030 4.928 . 0 0 "[ . 1 . 2]" 1
111 1 31 GLN HA 1 31 GLN QG . . 3.610 2.075 1.951 2.222 . 0 0 "[ . 1 . 2]" 1
112 1 31 GLN HA 1 33 ARG H . . 5.450 4.568 4.011 5.133 . 0 0 "[ . 1 . 2]" 1
113 1 31 GLN HA 1 34 LEU H . . 4.810 3.335 2.996 3.567 . 0 0 "[ . 1 . 2]" 1
114 1 31 GLN HA 1 34 LEU HB2 . . 3.420 3.414 3.331 3.451 0.031 9 0 "[ . 1 . 2]" 1
115 1 31 GLN HA 1 34 LEU HB3 . . 2.900 2.349 2.063 2.830 . 0 0 "[ . 1 . 2]" 1
116 1 31 GLN HA 1 35 TYR H . . 5.460 3.771 3.372 4.252 . 0 0 "[ . 1 . 2]" 1
117 1 31 GLN QB 1 31 GLN QG . . 2.400 2.106 2.062 2.135 . 0 0 "[ . 1 . 2]" 1
118 1 31 GLN QB 1 32 ALA H . . 3.780 2.425 2.232 2.922 . 0 0 "[ . 1 . 2]" 1
119 1 31 GLN QB 1 32 ALA MB . . 5.340 3.733 3.643 3.897 . 0 0 "[ . 1 . 2]" 1
120 1 31 GLN QG 1 32 ALA H . . 5.340 4.265 3.868 4.380 . 0 0 "[ . 1 . 2]" 1
121 1 31 GLN QG 1 32 ALA HA . . 5.480 5.179 4.310 5.482 0.002 16 0 "[ . 1 . 2]" 1
122 1 31 GLN QG 1 32 ALA MB . . 5.460 5.341 4.841 5.470 0.010 17 0 "[ . 1 . 2]" 1
123 1 31 GLN QG 1 35 TYR QD . . 5.500 3.372 2.217 4.390 . 0 0 "[ . 1 . 2]" 1
124 1 31 GLN QG 1 35 TYR QE . . 5.500 3.315 2.155 4.331 . 0 0 "[ . 1 . 2]" 1
125 1 32 ALA H 1 32 ALA MB . . 3.150 2.001 1.952 2.103 . 0 0 "[ . 1 . 2]" 1
126 1 32 ALA H 1 33 ARG H . . 3.730 3.017 2.736 3.250 . 0 0 "[ . 1 . 2]" 1
127 1 32 ALA H 1 35 TYR QD . . 4.530 4.416 3.962 4.629 0.099 14 0 "[ . 1 . 2]" 1
128 1 32 ALA HA 1 35 TYR H . . 4.140 3.771 3.170 4.084 . 0 0 "[ . 1 . 2]" 1
129 1 32 ALA HA 1 35 TYR HB2 . . 4.100 2.787 2.063 3.028 . 0 0 "[ . 1 . 2]" 1
130 1 32 ALA HA 1 35 TYR HB3 . . 3.840 4.036 3.546 4.127 0.287 9 0 "[ . 1 . 2]" 1
131 1 32 ALA HA 1 35 TYR QD . . 4.060 3.333 2.328 3.965 . 0 0 "[ . 1 . 2]" 1
132 1 32 ALA MB 1 33 ARG H . . 3.610 2.448 2.110 2.817 . 0 0 "[ . 1 . 2]" 1
133 1 32 ALA MB 1 33 ARG HA . . 3.780 3.661 3.541 3.790 0.010 1 0 "[ . 1 . 2]" 1
134 1 32 ALA MB 1 36 SER H . . 5.420 4.649 4.349 5.443 0.023 9 0 "[ . 1 . 2]" 1
135 1 32 ALA MB 1 36 SER QB . . 5.050 4.192 3.720 5.015 . 0 0 "[ . 1 . 2]" 1
136 1 33 ARG H 1 33 ARG QB . . 3.390 2.546 2.168 2.660 . 0 0 "[ . 1 . 2]" 1
137 1 33 ARG H 1 33 ARG HG2 . . 4.920 2.583 1.925 3.250 . 0 0 "[ . 1 . 2]" 1
138 1 33 ARG H 1 33 ARG HG3 . . 3.830 2.318 1.917 3.838 0.008 9 0 "[ . 1 . 2]" 1
139 1 33 ARG H 1 34 LEU H . . 3.880 2.802 2.575 2.984 . 0 0 "[ . 1 . 2]" 1
140 1 33 ARG HA 1 33 ARG HD3 . . 5.460 4.020 2.526 5.547 0.087 9 0 "[ . 1 . 2]" 1
141 1 33 ARG HA 1 33 ARG HG2 . . 3.910 2.632 2.438 3.791 . 0 0 "[ . 1 . 2]" 1
142 1 33 ARG HA 1 33 ARG HG3 . . 3.530 3.440 2.950 3.856 0.326 1 0 "[ . 1 . 2]" 1
143 1 33 ARG QB 1 33 ARG HD2 . . 3.290 2.852 2.357 3.194 . 0 0 "[ . 1 . 2]" 1
144 1 33 ARG QB 1 34 LEU H . . 3.800 2.430 2.145 3.700 . 0 0 "[ . 1 . 2]" 1
145 1 33 ARG QB 1 63 PHE HB2 . . 5.500 4.985 4.114 5.514 0.014 9 0 "[ . 1 . 2]" 1
146 1 33 ARG QB 1 63 PHE QD . . 4.540 2.727 1.990 4.496 . 0 0 "[ . 1 . 2]" 1
147 1 33 ARG QB 1 63 PHE QE . . 4.680 2.503 1.986 4.679 . 0 0 "[ . 1 . 2]" 1
148 1 33 ARG HD2 1 63 PHE QD . . 5.380 4.971 4.017 5.386 0.006 6 0 "[ . 1 . 2]" 1
149 1 33 ARG HD3 1 63 PHE HB3 . . 5.500 4.934 3.869 5.507 0.007 6 0 "[ . 1 . 2]" 1
150 1 33 ARG HD3 1 63 PHE QD . . 5.500 4.105 3.187 5.142 . 0 0 "[ . 1 . 2]" 1
151 1 33 ARG HG2 1 63 PHE QD . . 5.460 5.256 3.961 6.297 0.837 16 1 "[ . 1 .+ 2]" 1
152 1 33 ARG HG3 1 34 LEU H . . 4.050 4.050 3.240 4.388 0.338 1 0 "[ . 1 . 2]" 1
153 1 34 LEU H 1 34 LEU HB2 . . 3.580 2.544 2.291 2.795 . 0 0 "[ . 1 . 2]" 1
154 1 34 LEU H 1 34 LEU HB3 . . 3.550 2.354 2.200 2.628 . 0 0 "[ . 1 . 2]" 1
155 1 34 LEU H 1 34 LEU QD . . 4.700 3.599 3.446 3.691 . 0 0 "[ . 1 . 2]" 1
156 1 34 LEU H 1 34 LEU HG . . 5.210 4.449 4.309 4.538 . 0 0 "[ . 1 . 2]" 1
157 1 34 LEU H 1 35 TYR H . . 4.130 2.930 2.358 3.109 . 0 0 "[ . 1 . 2]" 1
158 1 34 LEU H 1 63 PHE QE . . 4.630 2.381 1.943 3.924 . 0 0 "[ . 1 . 2]" 1
159 1 34 LEU HA 1 34 LEU QD . . 3.170 2.451 1.992 3.035 . 0 0 "[ . 1 . 2]" 1
160 1 34 LEU HA 1 37 CYS H . . 3.460 3.472 3.119 3.560 0.100 12 0 "[ . 1 . 2]" 1
161 1 34 LEU HA 1 37 CYS HB2 . . 3.890 3.201 2.614 4.756 0.866 20 2 "[ . -1 . +]" 1
162 1 34 LEU HA 1 37 CYS HB3 . . 4.800 4.131 2.768 4.742 . 0 0 "[ . 1 . 2]" 1
163 1 34 LEU HA 1 38 LEU H . . 5.500 4.011 3.534 4.874 . 0 0 "[ . 1 . 2]" 1
164 1 34 LEU HA 1 58 ILE MD . . 5.500 3.554 2.798 4.258 . 0 0 "[ . 1 . 2]" 1
165 1 34 LEU HA 1 58 ILE MG . . 3.300 2.973 2.542 3.350 0.050 9 0 "[ . 1 . 2]" 1
166 1 34 LEU HA 1 59 LEU QD . . 5.500 4.594 3.987 5.333 . 0 0 "[ . 1 . 2]" 1
167 1 34 LEU HA 1 63 PHE QD . . 3.800 3.174 2.370 3.612 . 0 0 "[ . 1 . 2]" 1
168 1 34 LEU HA 1 63 PHE QE . . 3.550 2.936 2.521 3.398 . 0 0 "[ . 1 . 2]" 1
169 1 34 LEU HB2 1 34 LEU QD . . 3.110 2.216 1.914 2.436 . 0 0 "[ . 1 . 2]" 1
170 1 34 LEU HB2 1 35 TYR H . . 4.610 3.892 3.653 4.249 . 0 0 "[ . 1 . 2]" 1
171 1 34 LEU HB2 1 59 LEU QD . . 5.500 3.695 3.119 4.327 . 0 0 "[ . 1 . 2]" 1
172 1 34 LEU HB2 1 63 PHE QE . . 3.610 2.268 1.987 2.620 . 0 0 "[ . 1 . 2]" 1
173 1 34 LEU HB2 1 63 PHE HZ . . 5.190 3.057 2.314 4.113 . 0 0 "[ . 1 . 2]" 1
174 1 34 LEU HB3 1 34 LEU QD . . 3.240 2.119 1.950 2.336 . 0 0 "[ . 1 . 2]" 1
175 1 34 LEU HB3 1 35 TYR H . . 3.790 2.504 2.139 3.092 . 0 0 "[ . 1 . 2]" 1
176 1 34 LEU HB3 1 63 PHE QE . . 4.780 3.430 3.027 3.917 . 0 0 "[ . 1 . 2]" 1
177 1 34 LEU QD 1 35 TYR H . . 4.870 2.670 1.916 3.543 . 0 0 "[ . 1 . 2]" 1
178 1 34 LEU QD 1 35 TYR HA . . 3.560 2.777 2.118 3.564 0.004 9 0 "[ . 1 . 2]" 1
179 1 34 LEU QD 1 35 TYR QD . . 4.160 3.373 2.473 4.079 . 0 0 "[ . 1 . 2]" 1
180 1 34 LEU QD 1 35 TYR QE . . 4.680 3.985 2.995 4.487 . 0 0 "[ . 1 . 2]" 1
181 1 34 LEU QD 1 37 CYS HB2 . . 4.870 3.955 3.131 5.433 0.563 8 1 "[ . + 1 . 2]" 1
182 1 34 LEU QD 1 55 THR HA . . 3.650 2.522 1.969 2.904 . 0 0 "[ . 1 . 2]" 1
183 1 34 LEU QD 1 55 THR HB . . 4.360 4.007 3.512 4.191 . 0 0 "[ . 1 . 2]" 1
184 1 34 LEU QD 1 55 THR MG . . 3.140 1.974 1.725 2.254 . 0 0 "[ . 1 . 2]" 1
185 1 34 LEU QD 1 58 ILE HA . . 5.070 4.745 4.408 5.063 . 0 0 "[ . 1 . 2]" 1
186 1 34 LEU QD 1 58 ILE HB . . 3.090 2.574 2.165 2.886 . 0 0 "[ . 1 . 2]" 1
187 1 34 LEU QD 1 58 ILE MG . . 3.090 1.917 1.737 2.073 . 0 0 "[ . 1 . 2]" 1
188 1 34 LEU QD 1 59 LEU QD . . 3.390 2.199 1.630 2.966 . 0 0 "[ . 1 . 2]" 1
189 1 34 LEU QD 1 63 PHE QE . . 3.690 3.292 2.227 3.609 . 0 0 "[ . 1 . 2]" 1
190 1 34 LEU QD 1 63 PHE HZ . . 4.290 3.784 3.299 4.222 . 0 0 "[ . 1 . 2]" 1
191 1 34 LEU HG 1 35 TYR H . . 4.960 4.089 3.095 5.065 0.105 20 0 "[ . 1 . 2]" 1
192 1 34 LEU HG 1 35 TYR HA . . 5.500 4.610 3.259 5.523 0.023 20 0 "[ . 1 . 2]" 1
193 1 35 TYR H 1 35 TYR HB2 . . 3.600 1.977 1.919 2.127 . 0 0 "[ . 1 . 2]" 1
194 1 35 TYR H 1 35 TYR HB3 . . 3.320 3.325 3.274 3.404 0.084 14 0 "[ . 1 . 2]" 1
195 1 35 TYR H 1 35 TYR QD . . 4.560 3.066 2.000 3.346 . 0 0 "[ . 1 . 2]" 1
196 1 35 TYR H 1 37 CYS H . . 4.160 4.000 3.885 4.211 0.051 8 0 "[ . 1 . 2]" 1
197 1 35 TYR HA 1 35 TYR QD . . 3.640 2.421 1.990 2.642 . 0 0 "[ . 1 . 2]" 1
198 1 35 TYR HA 1 35 TYR QE . . 4.650 4.383 4.227 4.511 . 0 0 "[ . 1 . 2]" 1
199 1 35 TYR HA 1 37 CYS H . . 3.740 3.792 3.741 3.965 0.225 9 0 "[ . 1 . 2]" 1
200 1 35 TYR HA 1 38 LEU H . . 4.120 3.160 2.800 3.511 . 0 0 "[ . 1 . 2]" 1
201 1 35 TYR HA 1 38 LEU HB2 . . 3.600 2.847 1.938 3.654 0.054 18 0 "[ . 1 . 2]" 1
202 1 35 TYR HA 1 38 LEU HB3 . . 3.190 2.811 1.981 3.592 0.402 20 0 "[ . 1 . 2]" 1
203 1 35 TYR HA 1 38 LEU QD . . 3.700 3.278 2.396 3.688 . 0 0 "[ . 1 . 2]" 1
204 1 35 TYR HB2 1 36 SER H . . 4.400 2.791 2.569 3.423 . 0 0 "[ . 1 . 2]" 1
205 1 35 TYR HB3 1 36 SER H . . 4.070 3.132 2.579 3.781 . 0 0 "[ . 1 . 2]" 1
206 1 35 TYR QD 1 38 LEU QD . . 4.240 3.380 1.942 4.150 . 0 0 "[ . 1 . 2]" 1
207 1 36 SER H 1 36 SER QB . . 3.300 2.101 2.001 2.290 . 0 0 "[ . 1 . 2]" 1
208 1 36 SER H 1 37 CYS H . . 3.730 2.628 2.153 2.821 . 0 0 "[ . 1 . 2]" 1
209 1 36 SER H 1 37 CYS HB2 . . 4.820 4.950 4.630 5.721 0.901 20 5 "[ * **1 - +]" 1
210 1 36 SER H 1 38 LEU H . . 5.380 4.215 3.654 4.797 . 0 0 "[ . 1 . 2]" 1
211 1 36 SER HA 1 39 ASP HB2 . . 4.140 3.652 2.988 4.693 0.553 5 1 "[ + 1 . 2]" 1
212 1 36 SER HA 1 39 ASP HB3 . . 4.740 3.885 3.166 4.646 . 0 0 "[ . 1 . 2]" 1
213 1 36 SER QB 1 37 CYS H . . 3.710 3.116 2.966 3.627 . 0 0 "[ . 1 . 2]" 1
214 1 37 CYS H 1 37 CYS HB2 . . 3.650 2.562 2.243 3.658 0.008 9 0 "[ . 1 . 2]" 1
215 1 37 CYS H 1 38 LEU H . . 3.850 2.266 2.094 2.533 . 0 0 "[ . 1 . 2]" 1
216 1 37 CYS H 1 58 ILE MD . . 4.770 4.131 3.473 4.580 . 0 0 "[ . 1 . 2]" 1
217 1 37 CYS HA 1 40 HIS H . . 4.300 3.684 3.394 4.040 . 0 0 "[ . 1 . 2]" 1
218 1 37 CYS HA 1 40 HIS QB . . 3.260 2.833 2.236 3.223 . 0 0 "[ . 1 . 2]" 1
219 1 37 CYS HA 1 40 HIS HD2 . . 5.500 5.016 4.039 5.556 0.056 16 0 "[ . 1 . 2]" 1
220 1 37 CYS HA 1 58 ILE MD . . 4.890 4.583 3.735 4.906 0.016 10 0 "[ . 1 . 2]" 1
221 1 37 CYS HA 1 65 VAL HB . . 5.050 4.775 4.027 5.052 0.002 7 0 "[ . 1 . 2]" 1
222 1 37 CYS HA 1 65 VAL QG . . 3.860 2.403 1.986 2.698 . 0 0 "[ . 1 . 2]" 1
223 1 37 CYS HB2 1 38 LEU H . . 4.050 3.061 2.343 4.255 0.205 8 0 "[ . 1 . 2]" 1
224 1 37 CYS HB2 1 58 ILE MD . . 3.430 2.974 2.256 3.445 0.015 12 0 "[ . 1 . 2]" 1
225 1 37 CYS HB2 1 58 ILE HG12 . . 3.660 3.145 2.051 3.568 . 0 0 "[ . 1 . 2]" 1
226 1 37 CYS HB2 1 58 ILE HG13 . . 5.140 4.698 3.579 5.155 0.015 11 0 "[ . 1 . 2]" 1
227 1 37 CYS HB2 1 58 ILE MG . . 3.520 3.331 2.729 4.093 0.573 5 2 "[ + 1 - 2]" 1
228 1 37 CYS HB2 1 65 VAL QG . . 4.240 2.834 1.791 3.373 . 0 0 "[ . 1 . 2]" 1
229 1 37 CYS HB3 1 38 LEU H . . 4.720 3.419 2.326 4.133 . 0 0 "[ . 1 . 2]" 1
230 1 37 CYS HB3 1 58 ILE MD . . 3.380 2.948 1.967 3.568 0.188 9 0 "[ . 1 . 2]" 1
231 1 37 CYS HB3 1 58 ILE HG12 . . 3.410 2.784 2.082 3.520 0.110 20 0 "[ . 1 . 2]" 1
232 1 37 CYS HB3 1 58 ILE HG13 . . 4.730 4.225 3.444 5.170 0.440 20 0 "[ . 1 . 2]" 1
233 1 37 CYS HB3 1 58 ILE MG . . 4.070 3.473 2.923 4.081 0.011 14 0 "[ . 1 . 2]" 1
234 1 37 CYS HB3 1 65 VAL HB . . 5.270 4.604 2.308 6.114 0.844 5 3 "[ + * 1 - 2]" 1
235 1 37 CYS HB3 1 65 VAL QG . . 3.990 2.117 1.821 3.104 . 0 0 "[ . 1 . 2]" 1
236 1 38 LEU H 1 38 LEU HB2 . . 3.520 2.306 1.978 3.310 . 0 0 "[ . 1 . 2]" 1
237 1 38 LEU H 1 38 LEU HB3 . . 3.960 2.881 2.026 3.346 . 0 0 "[ . 1 . 2]" 1
238 1 38 LEU H 1 38 LEU HG . . 3.700 3.713 3.435 3.925 0.225 14 0 "[ . 1 . 2]" 1
239 1 38 LEU H 1 39 ASP H . . 3.960 2.959 2.429 3.338 . 0 0 "[ . 1 . 2]" 1
240 1 38 LEU H 1 40 HIS H . . 5.250 4.201 3.551 4.703 . 0 0 "[ . 1 . 2]" 1
241 1 38 LEU H 1 58 ILE MD . . 4.140 2.905 2.307 3.321 . 0 0 "[ . 1 . 2]" 1
242 1 38 LEU HA 1 38 LEU QD . . 2.970 2.204 1.833 2.811 . 0 0 "[ . 1 . 2]" 1
243 1 38 LEU HA 1 41 MET H . . 4.810 3.699 3.258 4.088 . 0 0 "[ . 1 . 2]" 1
244 1 38 LEU HA 1 41 MET HB2 . . 3.520 3.358 2.936 3.619 0.099 14 0 "[ . 1 . 2]" 1
245 1 38 LEU HA 1 41 MET HB3 . . 4.250 3.713 3.185 4.130 . 0 0 "[ . 1 . 2]" 1
246 1 38 LEU HA 1 41 MET QG . . 5.500 5.241 4.871 5.506 0.006 20 0 "[ . 1 . 2]" 1
247 1 38 LEU HA 1 42 ARG H . . 4.110 3.799 2.627 4.125 0.015 6 0 "[ . 1 . 2]" 1
248 1 38 LEU HA 1 58 ILE MD . . 3.600 2.688 1.964 3.656 0.056 8 0 "[ . 1 . 2]" 1
249 1 38 LEU HB2 1 39 ASP H . . 3.970 3.341 2.714 4.033 0.063 13 0 "[ . 1 . 2]" 1
250 1 38 LEU HB3 1 38 LEU QD . . 2.780 2.096 1.993 2.273 . 0 0 "[ . 1 . 2]" 1
251 1 38 LEU HB3 1 39 ASP H . . 4.030 2.501 2.021 3.056 . 0 0 "[ . 1 . 2]" 1
252 1 38 LEU QD 1 42 ARG HG2 . . 4.590 3.171 1.833 4.387 . 0 0 "[ . 1 . 2]" 1
253 1 38 LEU QD 1 42 ARG HG3 . . 4.120 2.501 1.756 4.063 . 0 0 "[ . 1 . 2]" 1
254 1 38 LEU QD 1 51 ASP HA . . 3.260 2.201 1.881 2.597 . 0 0 "[ . 1 . 2]" 1
255 1 38 LEU QD 1 51 ASP HB2 . . 4.330 2.422 1.900 3.602 . 0 0 "[ . 1 . 2]" 1
256 1 38 LEU QD 1 51 ASP HB3 . . 4.620 2.424 1.764 3.505 . 0 0 "[ . 1 . 2]" 1
257 1 38 LEU QD 1 54 LEU HB2 . . 2.920 1.989 1.759 2.865 . 0 0 "[ . 1 . 2]" 1
258 1 38 LEU QD 1 55 THR H . . 4.310 2.866 2.296 3.746 . 0 0 "[ . 1 . 2]" 1
259 1 38 LEU QD 1 55 THR HA . . 5.370 3.202 2.442 3.997 . 0 0 "[ . 1 . 2]" 1
260 1 38 LEU QD 1 55 THR HB . . 4.620 3.703 3.056 4.321 . 0 0 "[ . 1 . 2]" 1
261 1 39 ASP H 1 39 ASP HB2 . . 3.520 2.184 2.018 2.346 . 0 0 "[ . 1 . 2]" 1
262 1 39 ASP H 1 39 ASP HB3 . . 3.740 3.029 2.684 3.510 . 0 0 "[ . 1 . 2]" 1
263 1 39 ASP H 1 40 HIS H . . 3.930 3.033 2.862 3.233 . 0 0 "[ . 1 . 2]" 1
264 1 39 ASP H 1 40 HIS QB . . 5.220 4.665 4.549 4.789 . 0 0 "[ . 1 . 2]" 1
265 1 39 ASP HA 1 42 ARG H . . 4.490 3.624 3.345 4.518 0.028 8 0 "[ . 1 . 2]" 1
266 1 39 ASP HA 1 42 ARG HB2 . . 3.710 2.485 1.992 3.459 . 0 0 "[ . 1 . 2]" 1
267 1 39 ASP HA 1 42 ARG HB3 . . 3.950 2.896 1.969 3.899 . 0 0 "[ . 1 . 2]" 1
268 1 39 ASP HA 1 42 ARG HD2 . . 4.920 4.170 3.030 5.290 0.370 15 0 "[ . 1 . 2]" 1
269 1 39 ASP HA 1 42 ARG HG2 . . 5.500 4.487 3.300 5.949 0.449 8 0 "[ . 1 . 2]" 1
270 1 39 ASP HB2 1 40 HIS H . . 3.780 3.364 2.551 3.835 0.055 9 0 "[ . 1 . 2]" 1
271 1 39 ASP HB3 1 40 HIS H . . 3.820 2.539 2.063 3.003 . 0 0 "[ . 1 . 2]" 1
272 1 40 HIS H 1 40 HIS QB . . 3.170 2.173 2.116 2.246 . 0 0 "[ . 1 . 2]" 1
273 1 40 HIS H 1 41 MET H . . 3.800 3.106 2.763 3.354 . 0 0 "[ . 1 . 2]" 1
274 1 40 HIS H 1 42 ARG H . . 5.460 3.731 3.320 4.084 . 0 0 "[ . 1 . 2]" 1
275 1 40 HIS HA 1 40 HIS HD2 . . 5.220 4.462 4.177 4.655 . 0 0 "[ . 1 . 2]" 1
276 1 40 HIS HA 1 43 GLU H . . 4.430 3.637 3.325 3.978 . 0 0 "[ . 1 . 2]" 1
277 1 40 HIS HA 1 43 GLU HB2 . . 3.820 3.291 2.698 3.613 . 0 0 "[ . 1 . 2]" 1
278 1 40 HIS HA 1 43 GLU HB3 . . 4.460 4.226 3.370 4.503 0.043 14 0 "[ . 1 . 2]" 1
279 1 40 HIS HA 1 43 GLU HG2 . . 5.500 5.583 5.115 6.100 0.600 19 3 "[ .- *1 . +2]" 1
280 1 40 HIS HA 1 44 VAL H . . 5.500 4.975 4.687 5.256 . 0 0 "[ . 1 . 2]" 1
281 1 40 HIS QB 1 41 MET H . . 3.620 2.096 1.925 2.461 . 0 0 "[ . 1 . 2]" 1
282 1 40 HIS QB 1 41 MET HA . . 4.970 4.129 3.927 4.380 . 0 0 "[ . 1 . 2]" 1
283 1 40 HIS QB 1 41 MET HB2 . . 4.810 3.711 3.539 3.927 . 0 0 "[ . 1 . 2]" 1
284 1 40 HIS QB 1 65 VAL QG . . 3.840 2.809 1.964 3.290 . 0 0 "[ . 1 . 2]" 1
285 1 40 HIS HD2 1 41 MET HA . . 4.990 3.523 2.496 4.560 . 0 0 "[ . 1 . 2]" 1
286 1 40 HIS HD2 1 41 MET HB2 . . 5.100 4.047 2.893 5.015 . 0 0 "[ . 1 . 2]" 1
287 1 40 HIS HD2 1 41 MET QG . . 5.500 3.567 2.309 4.851 . 0 0 "[ . 1 . 2]" 1
288 1 40 HIS HD2 1 44 VAL QG . . 4.370 3.848 3.230 4.343 . 0 0 "[ . 1 . 2]" 1
289 1 40 HIS HD2 1 65 VAL HB . . 5.150 4.632 3.999 5.177 0.027 11 0 "[ . 1 . 2]" 1
290 1 40 HIS HD2 1 65 VAL QG . . 4.300 2.146 1.791 2.515 . 0 0 "[ . 1 . 2]" 1
291 1 40 HIS HD2 1 69 LEU MD1 . . 3.990 2.444 1.950 3.164 . 0 0 "[ . 1 . 2]" 1
292 1 40 HIS HE1 1 44 VAL QG . . 4.950 4.535 3.878 4.885 . 0 0 "[ . 1 . 2]" 1
293 1 41 MET H 1 41 MET HB2 . . 3.590 1.987 1.969 2.049 . 0 0 "[ . 1 . 2]" 1
294 1 41 MET H 1 41 MET HB3 . . 3.710 3.156 3.000 3.371 . 0 0 "[ . 1 . 2]" 1
295 1 41 MET H 1 41 MET ME . . 4.140 3.798 3.337 4.186 0.046 14 0 "[ . 1 . 2]" 1
296 1 41 MET H 1 41 MET QG . . 3.670 3.428 2.903 3.691 0.021 14 0 "[ . 1 . 2]" 1
297 1 41 MET H 1 42 ARG H . . 3.730 2.779 2.587 2.974 . 0 0 "[ . 1 . 2]" 1
298 1 41 MET H 1 65 VAL QG . . 5.500 3.179 2.518 3.519 . 0 0 "[ . 1 . 2]" 1
299 1 41 MET HA 1 41 MET HB3 . . 3.040 2.945 2.818 3.013 . 0 0 "[ . 1 . 2]" 1
300 1 41 MET HA 1 41 MET ME . . 5.050 4.200 4.056 4.392 . 0 0 "[ . 1 . 2]" 1
301 1 41 MET HA 1 41 MET QG . . 3.950 2.118 2.040 2.214 . 0 0 "[ . 1 . 2]" 1
302 1 41 MET HA 1 43 GLU H . . 4.930 4.181 3.462 4.851 . 0 0 "[ . 1 . 2]" 1
303 1 41 MET HA 1 44 VAL H . . 5.310 3.294 2.923 3.638 . 0 0 "[ . 1 . 2]" 1
304 1 41 MET HA 1 44 VAL QG . . 3.220 2.452 1.847 3.211 . 0 0 "[ . 1 . 2]" 1
305 1 41 MET HA 1 45 LEU MD1 . . 5.100 2.980 2.009 3.960 . 0 0 "[ . 1 . 2]" 1
306 1 41 MET HA 1 65 VAL QG . . 4.680 3.926 2.570 4.193 . 0 0 "[ . 1 . 2]" 1
307 1 41 MET HA 1 69 LEU MD2 . . 3.140 3.163 3.137 3.211 0.071 12 0 "[ . 1 . 2]" 1
308 1 41 MET HB2 1 41 MET ME . . 3.240 2.171 1.865 2.529 . 0 0 "[ . 1 . 2]" 1
309 1 41 MET HB2 1 41 MET QG . . 2.640 2.424 2.229 2.540 . 0 0 "[ . 1 . 2]" 1
310 1 41 MET HB2 1 42 ARG H . . 4.080 3.526 3.191 3.813 . 0 0 "[ . 1 . 2]" 1
311 1 41 MET HB2 1 45 LEU MD1 . . 4.420 4.201 3.677 4.437 0.017 19 0 "[ . 1 . 2]" 1
312 1 41 MET HB2 1 54 LEU MD1 . . 3.680 3.678 3.376 3.737 0.057 18 0 "[ . 1 . 2]" 1
313 1 41 MET HB2 1 54 LEU MD2 . . 4.370 3.881 3.250 4.436 0.066 8 0 "[ . 1 . 2]" 1
314 1 41 MET HB2 1 58 ILE MD . . 5.500 4.106 3.217 4.459 . 0 0 "[ . 1 . 2]" 1
315 1 41 MET HB2 1 65 VAL QG . . 3.570 3.054 1.953 3.229 . 0 0 "[ . 1 . 2]" 1
316 1 41 MET HB2 1 68 ALA MB . . 5.050 4.757 4.451 5.077 0.027 20 0 "[ . 1 . 2]" 1
317 1 41 MET HB2 1 69 LEU HG . . 4.030 4.105 4.024 4.209 0.179 14 0 "[ . 1 . 2]" 1
318 1 41 MET HB3 1 41 MET ME . . 3.550 2.177 1.948 2.653 . 0 0 "[ . 1 . 2]" 1
319 1 41 MET HB3 1 42 ARG H . . 3.850 3.255 2.452 3.682 . 0 0 "[ . 1 . 2]" 1
320 1 41 MET HB3 1 45 LEU MD1 . . 3.520 3.387 2.502 3.542 0.022 18 0 "[ . 1 . 2]" 1
321 1 41 MET HB3 1 54 LEU MD1 . . 3.590 2.242 2.075 2.448 . 0 0 "[ . 1 . 2]" 1
322 1 41 MET HB3 1 54 LEU MD2 . . 3.660 2.532 1.974 3.208 . 0 0 "[ . 1 . 2]" 1
323 1 41 MET ME 1 54 LEU HA . . 2.890 2.569 2.172 2.912 0.022 19 0 "[ . 1 . 2]" 1
324 1 41 MET ME 1 54 LEU MD2 . . 2.800 2.309 1.775 2.832 0.032 5 0 "[ . 1 . 2]" 1
325 1 41 MET ME 1 55 THR HA . . 4.750 4.409 4.047 4.750 0.000 17 0 "[ . 1 . 2]" 1
326 1 41 MET ME 1 57 ALA H . . 5.130 4.316 3.873 4.866 . 0 0 "[ . 1 . 2]" 1
327 1 41 MET ME 1 57 ALA MB . . 4.540 2.329 1.905 2.750 . 0 0 "[ . 1 . 2]" 1
328 1 41 MET ME 1 58 ILE H . . 3.830 3.483 3.208 3.789 . 0 0 "[ . 1 . 2]" 1
329 1 41 MET ME 1 58 ILE MD . . 2.710 2.586 2.066 2.730 0.020 16 0 "[ . 1 . 2]" 1
330 1 41 MET ME 1 58 ILE HG12 . . 3.470 3.428 3.039 3.524 0.054 13 0 "[ . 1 . 2]" 1
331 1 41 MET ME 1 65 VAL HA . . 5.350 3.589 3.064 4.114 . 0 0 "[ . 1 . 2]" 1
332 1 41 MET ME 1 68 ALA MB . . 3.210 2.325 1.838 2.794 . 0 0 "[ . 1 . 2]" 1
333 1 41 MET ME 1 72 VAL H . . 5.500 5.225 4.771 5.516 0.016 14 0 "[ . 1 . 2]" 1
334 1 41 MET ME 1 72 VAL MG1 . . 3.960 3.520 3.163 3.954 . 0 0 "[ . 1 . 2]" 1
335 1 41 MET ME 1 72 VAL MG2 . . 3.310 2.568 1.950 3.137 . 0 0 "[ . 1 . 2]" 1
336 1 41 MET QG 1 42 ARG H . . 5.500 4.545 4.158 4.678 . 0 0 "[ . 1 . 2]" 1
337 1 41 MET QG 1 45 LEU MD1 . . 3.940 1.941 1.773 2.397 . 0 0 "[ . 1 . 2]" 1
338 1 41 MET QG 1 54 LEU MD2 . . 5.500 2.804 1.960 3.392 . 0 0 "[ . 1 . 2]" 1
339 1 41 MET QG 1 65 VAL QG . . 4.370 2.875 2.134 3.302 . 0 0 "[ . 1 . 2]" 1
340 1 41 MET QG 1 69 LEU MD2 . . 3.730 2.001 1.734 2.261 . 0 0 "[ . 1 . 2]" 1
341 1 41 MET QG 1 69 LEU HG . . 4.730 1.959 1.800 2.168 . 0 0 "[ . 1 . 2]" 1
342 1 42 ARG H 1 42 ARG HB2 . . 3.450 2.203 2.027 3.015 . 0 0 "[ . 1 . 2]" 1
343 1 42 ARG H 1 42 ARG HB3 . . 3.560 3.059 2.139 3.498 . 0 0 "[ . 1 . 2]" 1
344 1 42 ARG H 1 42 ARG HD2 . . 5.500 4.928 4.018 5.500 0.000 1 0 "[ . 1 . 2]" 1
345 1 42 ARG H 1 42 ARG HG2 . . 3.880 3.936 2.763 4.588 0.708 14 4 "[ - * 1* +. 2]" 1
346 1 42 ARG H 1 42 ARG HG3 . . 4.530 3.854 3.352 4.404 . 0 0 "[ . 1 . 2]" 1
347 1 42 ARG H 1 43 GLU H . . 3.920 2.626 2.348 3.087 . 0 0 "[ . 1 . 2]" 1
348 1 42 ARG H 1 44 VAL H . . 5.500 3.896 3.658 4.602 . 0 0 "[ . 1 . 2]" 1
349 1 42 ARG H 1 54 LEU MD1 . . 5.310 3.138 2.630 3.649 . 0 0 "[ . 1 . 2]" 1
350 1 42 ARG HA 1 42 ARG HB2 . . 3.060 2.798 2.330 3.033 . 0 0 "[ . 1 . 2]" 1
351 1 42 ARG HA 1 42 ARG HD2 . . 4.650 3.946 2.726 4.562 . 0 0 "[ . 1 . 2]" 1
352 1 42 ARG HA 1 42 ARG HD3 . . 3.810 4.001 2.942 4.676 0.866 19 7 "[ * 1- **. **+2]" 1
353 1 42 ARG HA 1 42 ARG HG3 . . 3.130 2.935 2.032 3.609 0.479 7 0 "[ . 1 . 2]" 1
354 1 42 ARG HA 1 44 VAL H . . 4.520 3.950 3.610 4.577 0.057 11 0 "[ . 1 . 2]" 1
355 1 42 ARG HA 1 45 LEU H . . 4.260 3.988 3.659 4.382 0.122 19 0 "[ . 1 . 2]" 1
356 1 42 ARG HA 1 46 GLY H . . 3.420 2.122 1.844 2.682 . 0 0 "[ . 1 . 2]" 1
357 1 42 ARG HB2 1 42 ARG HG3 . . 2.950 2.437 2.264 2.765 . 0 0 "[ . 1 . 2]" 1
358 1 42 ARG HB2 1 43 GLU H . . 4.300 3.397 2.651 4.421 0.121 17 0 "[ . 1 . 2]" 1
359 1 42 ARG HB3 1 42 ARG HD2 . . 3.610 2.845 2.019 3.807 0.197 3 0 "[ . 1 . 2]" 1
360 1 42 ARG HB3 1 42 ARG HD3 . . 3.990 2.849 2.011 3.587 . 0 0 "[ . 1 . 2]" 1
361 1 42 ARG HB3 1 42 ARG HG2 . . 2.660 2.695 2.306 2.991 0.331 6 0 "[ . 1 . 2]" 1
362 1 42 ARG HB3 1 43 GLU H . . 4.400 3.051 2.351 3.774 . 0 0 "[ . 1 . 2]" 1
363 1 42 ARG HD2 1 42 ARG QH1 . . 4.070 2.363 2.023 3.407 . 0 0 "[ . 1 . 2]" 1
364 1 42 ARG HD2 1 54 LEU MD1 . . 4.820 3.798 2.576 4.722 . 0 0 "[ . 1 . 2]" 1
365 1 42 ARG HD3 1 42 ARG QH1 . . 4.230 2.284 1.935 3.473 . 0 0 "[ . 1 . 2]" 1
366 1 42 ARG HD3 1 54 LEU MD1 . . 4.590 3.968 2.338 4.705 0.115 14 0 "[ . 1 . 2]" 1
367 1 42 ARG HG2 1 43 GLU H . . 5.370 4.696 3.350 5.316 . 0 0 "[ . 1 . 2]" 1
368 1 42 ARG HG2 1 54 LEU MD1 . . 4.560 2.788 1.804 4.620 0.060 13 0 "[ . 1 . 2]" 1
369 1 42 ARG HG3 1 54 LEU MD1 . . 4.180 2.828 1.962 3.744 . 0 0 "[ . 1 . 2]" 1
370 1 43 GLU H 1 43 GLU HB2 . . 3.310 2.147 2.018 2.541 . 0 0 "[ . 1 . 2]" 1
371 1 43 GLU H 1 43 GLU HB3 . . 3.330 3.077 2.646 3.340 0.010 10 0 "[ . 1 . 2]" 1
372 1 43 GLU H 1 43 GLU HG2 . . 4.570 4.255 3.583 4.597 0.027 11 0 "[ . 1 . 2]" 1
373 1 43 GLU H 1 44 VAL H . . 3.650 2.516 2.191 2.786 . 0 0 "[ . 1 . 2]" 1
374 1 43 GLU H 1 44 VAL HB . . 5.500 4.874 4.289 5.690 0.190 15 0 "[ . 1 . 2]" 1
375 1 43 GLU H 1 44 VAL QG . . 5.000 3.659 3.237 4.020 . 0 0 "[ . 1 . 2]" 1
376 1 43 GLU H 1 46 GLY H . . 5.500 4.253 3.541 4.589 . 0 0 "[ . 1 . 2]" 1
377 1 43 GLU HA 1 43 GLU HB2 . . 2.830 2.795 2.587 2.934 0.104 10 0 "[ . 1 . 2]" 1
378 1 43 GLU HA 1 43 GLU HB3 . . 2.780 2.941 2.819 3.041 0.261 17 0 "[ . 1 . 2]" 1
379 1 43 GLU HA 1 43 GLU HG2 . . 3.550 2.970 2.049 3.567 0.017 5 0 "[ . 1 . 2]" 1
380 1 43 GLU HA 1 43 GLU HG3 . . 3.800 2.753 2.149 3.553 . 0 0 "[ . 1 . 2]" 1
381 1 43 GLU HB2 1 44 VAL H . . 3.960 3.676 3.326 3.879 . 0 0 "[ . 1 . 2]" 1
382 1 43 GLU HB2 1 44 VAL QG . . 4.890 3.942 3.502 4.841 . 0 0 "[ . 1 . 2]" 1
383 1 43 GLU HB3 1 44 VAL H . . 3.420 3.331 2.627 3.553 0.133 19 0 "[ . 1 . 2]" 1
384 1 43 GLU HB3 1 44 VAL QG . . 4.620 3.112 2.263 3.849 . 0 0 "[ . 1 . 2]" 1
385 1 43 GLU HG2 1 44 VAL QG . . 5.370 5.098 3.796 5.599 0.229 2 0 "[ . 1 . 2]" 1
386 1 44 VAL H 1 44 VAL HB . . 3.370 2.574 2.328 3.247 . 0 0 "[ . 1 . 2]" 1
387 1 44 VAL H 1 44 VAL QG . . 3.290 2.239 1.713 2.541 . 0 0 "[ . 1 . 2]" 1
388 1 44 VAL H 1 45 LEU H . . 3.580 2.600 2.294 2.740 . 0 0 "[ . 1 . 2]" 1
389 1 44 VAL H 1 45 LEU HG . . 5.500 5.183 4.413 5.697 0.197 13 0 "[ . 1 . 2]" 1
390 1 44 VAL H 1 46 GLY H . . 3.560 3.327 3.051 3.642 0.082 12 0 "[ . 1 . 2]" 1
391 1 44 VAL HA 1 44 VAL QG . . 2.570 2.175 1.959 2.546 . 0 0 "[ . 1 . 2]" 1
392 1 44 VAL HB 1 45 LEU H . . 3.590 2.442 1.933 3.786 0.196 17 0 "[ . 1 . 2]" 1
393 1 44 VAL HB 1 45 LEU HG . . 4.600 3.795 2.838 4.864 0.264 20 0 "[ . 1 . 2]" 1
394 1 44 VAL QG 1 45 LEU H . . 3.910 2.636 1.703 3.221 . 0 0 "[ . 1 . 2]" 1
395 1 44 VAL QG 1 45 LEU HA . . 4.690 3.513 2.946 4.167 . 0 0 "[ . 1 . 2]" 1
396 1 44 VAL QG 1 45 LEU HG . . 4.770 2.481 1.863 4.306 . 0 0 "[ . 1 . 2]" 1
397 1 45 LEU H 1 45 LEU HB2 . . 3.460 2.542 2.340 2.719 . 0 0 "[ . 1 . 2]" 1
398 1 45 LEU H 1 45 LEU HB3 . . 4.110 3.609 3.533 3.655 . 0 0 "[ . 1 . 2]" 1
399 1 45 LEU H 1 45 LEU MD1 . . 3.890 2.239 1.842 3.845 . 0 0 "[ . 1 . 2]" 1
400 1 45 LEU H 1 45 LEU MD2 . . 5.160 3.975 3.123 4.105 . 0 0 "[ . 1 . 2]" 1
401 1 45 LEU H 1 45 LEU HG . . 3.610 2.848 2.436 3.599 . 0 0 "[ . 1 . 2]" 1
402 1 45 LEU H 1 46 GLY H . . 2.430 2.294 2.089 2.613 0.183 16 0 "[ . 1 . 2]" 1
403 1 45 LEU HA 1 45 LEU MD2 . . 3.260 3.242 2.025 3.807 0.547 13 1 "[ . 1 + . 2]" 1
404 1 45 LEU HA 1 45 LEU HG . . 3.150 2.629 2.397 3.273 0.123 20 0 "[ . 1 . 2]" 1
405 1 45 LEU HB2 1 45 LEU MD1 . . 3.120 2.139 1.950 2.464 . 0 0 "[ . 1 . 2]" 1
406 1 45 LEU HB2 1 45 LEU HG . . 2.870 2.904 2.379 3.031 0.161 13 0 "[ . 1 . 2]" 1
407 1 45 LEU HB2 1 46 GLY H . . 3.750 2.758 2.433 3.067 . 0 0 "[ . 1 . 2]" 1
408 1 45 LEU HB2 1 46 GLY HA2 . . 4.490 4.191 4.117 4.336 . 0 0 "[ . 1 . 2]" 1
409 1 45 LEU HB3 1 45 LEU MD2 . . 2.870 2.166 1.957 2.488 . 0 0 "[ . 1 . 2]" 1
410 1 45 LEU HB3 1 46 GLY H . . 4.130 3.884 3.489 4.176 0.046 18 0 "[ . 1 . 2]" 1
411 1 45 LEU HB3 1 46 GLY HA2 . . 5.500 4.791 4.410 5.103 . 0 0 "[ . 1 . 2]" 1
412 1 45 LEU HG 1 46 GLY H . . 5.500 4.591 4.278 4.957 . 0 0 "[ . 1 . 2]" 1
413 1 46 GLY HA2 1 48 ALA H . . 5.500 4.218 3.752 4.550 . 0 0 "[ . 1 . 2]" 1
414 1 47 ASP H 1 48 ALA H . . 3.850 3.029 2.864 3.128 . 0 0 "[ . 1 . 2]" 1
415 1 47 ASP HB2 1 48 ALA H . . 4.900 3.040 2.288 3.904 . 0 0 "[ . 1 . 2]" 1
416 1 47 ASP HB3 1 48 ALA H . . 5.500 2.672 2.109 3.326 . 0 0 "[ . 1 . 2]" 1
417 1 48 ALA H 1 48 ALA MB . . 3.300 2.312 2.212 2.387 . 0 0 "[ . 1 . 2]" 1
418 1 48 ALA H 1 49 VAL H . . 3.710 2.087 1.955 2.202 . 0 0 "[ . 1 . 2]" 1
419 1 48 ALA H 1 49 VAL QG . . 5.220 3.543 3.007 4.184 . 0 0 "[ . 1 . 2]" 1
420 1 48 ALA HA 1 49 VAL QG . . 5.310 4.716 4.359 5.024 . 0 0 "[ . 1 . 2]" 1
421 1 48 ALA MB 1 49 VAL H . . 4.030 2.516 2.286 2.765 . 0 0 "[ . 1 . 2]" 1
422 1 48 ALA MB 1 49 VAL HA . . 5.270 3.785 3.683 3.886 . 0 0 "[ . 1 . 2]" 1
423 1 48 ALA MB 1 49 VAL HB . . 5.500 4.384 3.771 4.880 . 0 0 "[ . 1 . 2]" 1
424 1 48 ALA MB 1 49 VAL QG . . 3.470 3.084 2.519 3.538 0.068 18 0 "[ . 1 . 2]" 1
425 1 49 VAL H 1 49 VAL HB . . 3.570 2.571 2.015 3.501 . 0 0 "[ . 1 . 2]" 1
426 1 49 VAL H 1 49 VAL QG . . 3.690 2.167 1.804 2.801 . 0 0 "[ . 1 . 2]" 1
427 1 49 VAL HA 1 50 PRO HD2 . . 3.060 2.605 2.470 2.830 . 0 0 "[ . 1 . 2]" 1
428 1 49 VAL HA 1 50 PRO HD3 . . 2.880 1.957 1.916 2.064 . 0 0 "[ . 1 . 2]" 1
429 1 49 VAL HA 1 53 ILE MD . . 5.430 3.894 3.290 5.472 0.042 8 0 "[ . 1 . 2]" 1
430 1 49 VAL HA 1 54 LEU MD2 . . 5.500 5.074 4.744 5.389 . 0 0 "[ . 1 . 2]" 1
431 1 49 VAL HB 1 54 LEU MD2 . . 3.240 3.236 2.488 3.626 0.386 16 0 "[ . 1 . 2]" 1
432 1 49 VAL QG 1 50 PRO HD2 . . 3.400 2.026 1.752 2.691 . 0 0 "[ . 1 . 2]" 1
433 1 49 VAL QG 1 50 PRO HD3 . . 4.120 2.956 2.760 3.465 . 0 0 "[ . 1 . 2]" 1
434 1 49 VAL QG 1 50 PRO HG2 . . 4.190 3.629 3.386 4.188 . 0 0 "[ . 1 . 2]" 1
435 1 49 VAL QG 1 53 ILE H . . 5.000 4.170 3.627 4.883 . 0 0 "[ . 1 . 2]" 1
436 1 49 VAL QG 1 53 ILE HB . . 3.260 2.491 1.820 3.250 . 0 0 "[ . 1 . 2]" 1
437 1 49 VAL QG 1 54 LEU H . . 3.550 3.103 2.483 3.558 0.008 13 0 "[ . 1 . 2]" 1
438 1 49 VAL QG 1 54 LEU HA . . 4.400 3.913 3.440 4.271 . 0 0 "[ . 1 . 2]" 1
439 1 49 VAL QG 1 54 LEU MD2 . . 3.030 1.798 1.612 2.079 . 0 0 "[ . 1 . 2]" 1
440 1 49 VAL QG 1 54 LEU HG . . 3.510 2.108 1.857 2.535 . 0 0 "[ . 1 . 2]" 1
441 1 50 PRO HA 1 51 ASP HA . . 5.070 4.218 4.208 4.224 . 0 0 "[ . 1 . 2]" 1
442 1 50 PRO HB2 1 52 ASP H . . 5.120 2.874 2.403 3.121 . 0 0 "[ . 1 . 2]" 1
443 1 50 PRO HB2 1 53 ILE H . . 4.220 3.442 3.144 3.625 . 0 0 "[ . 1 . 2]" 1
444 1 50 PRO HB2 1 53 ILE MD . . 5.290 4.727 3.583 5.201 . 0 0 "[ . 1 . 2]" 1
445 1 50 PRO HB2 1 53 ILE QG . . 5.200 4.196 3.749 5.041 . 0 0 "[ . 1 . 2]" 1
446 1 50 PRO HB3 1 53 ILE H . . 5.500 4.942 4.642 5.117 . 0 0 "[ . 1 . 2]" 1
447 1 50 PRO HB3 1 53 ILE MD . . 5.500 5.036 4.199 5.494 . 0 0 "[ . 1 . 2]" 1
448 1 50 PRO HD2 1 53 ILE HB . . 3.910 2.321 2.040 2.606 . 0 0 "[ . 1 . 2]" 1
449 1 50 PRO HD2 1 53 ILE MD . . 3.510 2.284 1.909 3.363 . 0 0 "[ . 1 . 2]" 1
450 1 50 PRO HD2 1 53 ILE QG . . 4.790 3.008 2.244 3.742 . 0 0 "[ . 1 . 2]" 1
451 1 50 PRO HD2 1 53 ILE MG . . 4.430 3.030 2.418 3.399 . 0 0 "[ . 1 . 2]" 1
452 1 50 PRO HD3 1 51 ASP H . . 5.500 5.547 5.526 5.594 0.094 10 0 "[ . 1 . 2]" 1
453 1 50 PRO HD3 1 53 ILE HB . . 4.700 4.002 3.601 4.317 . 0 0 "[ . 1 . 2]" 1
454 1 50 PRO HD3 1 53 ILE MD . . 3.850 3.086 2.574 3.977 0.127 7 0 "[ . 1 . 2]" 1
455 1 50 PRO HG2 1 53 ILE H . . 5.500 2.645 2.384 2.752 . 0 0 "[ . 1 . 2]" 1
456 1 50 PRO HG2 1 53 ILE HB . . 5.030 2.673 1.990 3.102 . 0 0 "[ . 1 . 2]" 1
457 1 50 PRO HG2 1 53 ILE MD . . 3.640 2.833 1.895 3.340 . 0 0 "[ . 1 . 2]" 1
458 1 50 PRO HG2 1 53 ILE QG . . 4.270 2.220 1.983 3.017 . 0 0 "[ . 1 . 2]" 1
459 1 50 PRO HG2 1 53 ILE MG . . 4.910 4.075 3.604 4.433 . 0 0 "[ . 1 . 2]" 1
460 1 50 PRO HG3 1 53 ILE H . . 5.400 4.352 4.073 4.485 . 0 0 "[ . 1 . 2]" 1
461 1 50 PRO HG3 1 53 ILE MD . . 4.650 3.344 2.608 3.858 . 0 0 "[ . 1 . 2]" 1
462 1 50 PRO HG3 1 53 ILE QG . . 5.460 3.418 3.175 4.049 . 0 0 "[ . 1 . 2]" 1
463 1 51 ASP H 1 51 ASP HB2 . . 3.870 3.216 2.232 3.553 . 0 0 "[ . 1 . 2]" 1
464 1 51 ASP H 1 51 ASP HB3 . . 3.860 3.150 2.161 3.605 . 0 0 "[ . 1 . 2]" 1
465 1 51 ASP H 1 52 ASP H . . 5.500 2.343 2.221 2.462 . 0 0 "[ . 1 . 2]" 1
466 1 51 ASP HA 1 54 LEU H . . 4.540 3.567 3.346 3.919 . 0 0 "[ . 1 . 2]" 1
467 1 51 ASP HA 1 54 LEU HB2 . . 3.480 2.887 2.606 3.029 . 0 0 "[ . 1 . 2]" 1
468 1 51 ASP HA 1 54 LEU HB3 . . 4.540 4.496 4.201 4.590 0.050 9 0 "[ . 1 . 2]" 1
469 1 51 ASP HA 1 54 LEU MD1 . . 3.270 2.559 2.135 2.876 . 0 0 "[ . 1 . 2]" 1
470 1 51 ASP HA 1 54 LEU MD2 . . 4.980 4.754 4.397 5.015 0.035 16 0 "[ . 1 . 2]" 1
471 1 51 ASP HA 1 54 LEU HG . . 3.800 3.408 2.978 3.848 0.048 16 0 "[ . 1 . 2]" 1
472 1 51 ASP HB2 1 52 ASP H . . 4.780 3.016 2.142 3.864 . 0 0 "[ . 1 . 2]" 1
473 1 52 ASP H 1 53 ILE H . . 4.220 3.161 2.936 3.258 . 0 0 "[ . 1 . 2]" 1
474 1 52 ASP HA 1 55 THR H . . 3.490 3.414 3.100 3.526 0.036 19 0 "[ . 1 . 2]" 1
475 1 52 ASP HA 1 55 THR MG . . 3.520 3.419 3.073 3.552 0.032 14 0 "[ . 1 . 2]" 1
476 1 52 ASP HA 1 56 GLU H . . 3.660 3.641 3.514 3.706 0.046 12 0 "[ . 1 . 2]" 1
477 1 52 ASP HB2 1 53 ILE H . . 5.500 2.469 1.966 3.690 . 0 0 "[ . 1 . 2]" 1
478 1 52 ASP HB3 1 53 ILE H . . 4.650 2.749 1.954 3.456 . 0 0 "[ . 1 . 2]" 1
479 1 52 ASP HB3 1 53 ILE MD . . 5.240 5.233 2.798 6.201 0.961 5 7 "[-***+ ** . 2]" 1
480 1 53 ILE H 1 53 ILE HB . . 3.190 2.331 2.133 2.466 . 0 0 "[ . 1 . 2]" 1
481 1 53 ILE H 1 53 ILE MD . . 4.830 3.609 1.825 3.906 . 0 0 "[ . 1 . 2]" 1
482 1 53 ILE H 1 53 ILE QG . . 3.760 2.381 2.111 3.454 . 0 0 "[ . 1 . 2]" 1
483 1 53 ILE H 1 53 ILE MG . . 4.260 3.685 3.570 3.719 . 0 0 "[ . 1 . 2]" 1
484 1 53 ILE H 1 54 LEU H . . 3.570 3.095 2.934 3.201 . 0 0 "[ . 1 . 2]" 1
485 1 53 ILE H 1 55 THR H . . 5.330 4.428 4.283 4.562 . 0 0 "[ . 1 . 2]" 1
486 1 53 ILE HA 1 53 ILE MD . . 3.540 3.448 1.926 3.753 0.213 4 0 "[ . 1 . 2]" 1
487 1 53 ILE HA 1 53 ILE QG . . 3.530 2.202 2.112 2.545 . 0 0 "[ . 1 . 2]" 1
488 1 53 ILE HA 1 53 ILE MG . . 3.000 2.603 2.504 2.793 . 0 0 "[ . 1 . 2]" 1
489 1 53 ILE HA 1 56 GLU H . . 3.800 3.818 3.757 3.868 0.068 12 0 "[ . 1 . 2]" 1
490 1 53 ILE HA 1 56 GLU HB2 . . 3.320 2.889 2.762 3.073 . 0 0 "[ . 1 . 2]" 1
491 1 53 ILE HB 1 53 ILE MD . . 3.740 2.523 2.324 2.597 . 0 0 "[ . 1 . 2]" 1
492 1 53 ILE HB 1 54 LEU H . . 3.560 2.589 2.317 3.088 . 0 0 "[ . 1 . 2]" 1
493 1 53 ILE QG 1 53 ILE MG . . 3.310 2.488 2.149 2.558 . 0 0 "[ . 1 . 2]" 1
494 1 53 ILE MG 1 54 LEU H . . 3.410 2.825 2.569 3.214 . 0 0 "[ . 1 . 2]" 1
495 1 53 ILE MG 1 57 ALA H . . 4.940 4.301 4.091 4.647 . 0 0 "[ . 1 . 2]" 1
496 1 54 LEU H 1 54 LEU HB2 . . 3.380 2.546 2.401 2.598 . 0 0 "[ . 1 . 2]" 1
497 1 54 LEU H 1 54 LEU MD1 . . 5.220 3.507 3.412 3.664 . 0 0 "[ . 1 . 2]" 1
498 1 54 LEU H 1 54 LEU MD2 . . 3.970 3.127 2.871 3.448 . 0 0 "[ . 1 . 2]" 1
499 1 54 LEU H 1 54 LEU HG . . 3.460 2.037 1.932 2.276 . 0 0 "[ . 1 . 2]" 1
500 1 54 LEU H 1 55 THR H . . 3.550 2.787 2.538 2.939 . 0 0 "[ . 1 . 2]" 1
501 1 54 LEU HA 1 54 LEU HB3 . . 2.910 2.424 2.388 2.483 . 0 0 "[ . 1 . 2]" 1
502 1 54 LEU HA 1 54 LEU MD2 . . 2.780 2.031 1.928 2.257 . 0 0 "[ . 1 . 2]" 1
503 1 54 LEU HA 1 54 LEU HG . . 3.680 3.163 2.991 3.289 . 0 0 "[ . 1 . 2]" 1
504 1 54 LEU HA 1 57 ALA H . . 4.180 3.503 3.267 3.826 . 0 0 "[ . 1 . 2]" 1
505 1 54 LEU HA 1 57 ALA MB . . 3.230 2.639 2.333 2.847 . 0 0 "[ . 1 . 2]" 1
506 1 54 LEU HA 1 58 ILE H . . 5.500 4.424 3.814 4.683 . 0 0 "[ . 1 . 2]" 1
507 1 54 LEU HB2 1 55 THR H . . 3.610 2.453 2.332 2.573 . 0 0 "[ . 1 . 2]" 1
508 1 54 LEU HB3 1 54 LEU MD1 . . 3.190 2.438 2.360 2.529 . 0 0 "[ . 1 . 2]" 1
509 1 54 LEU HB3 1 54 LEU MD2 . . 3.120 2.383 2.259 2.492 . 0 0 "[ . 1 . 2]" 1
510 1 54 LEU HB3 1 55 THR H . . 4.710 3.617 3.437 3.773 . 0 0 "[ . 1 . 2]" 1
511 1 54 LEU HB3 1 55 THR HA . . 5.480 4.531 4.389 4.633 . 0 0 "[ . 1 . 2]" 1
512 1 54 LEU HB3 1 58 ILE MD . . 5.340 3.205 2.388 3.541 . 0 0 "[ . 1 . 2]" 1
513 1 54 LEU MD1 1 55 THR H . . 4.330 4.317 4.178 4.373 0.043 9 0 "[ . 1 . 2]" 1
514 1 55 THR H 1 55 THR HB . . 3.400 2.359 2.071 2.816 . 0 0 "[ . 1 . 2]" 1
515 1 55 THR H 1 55 THR MG . . 4.290 3.650 3.528 3.681 . 0 0 "[ . 1 . 2]" 1
516 1 55 THR H 1 56 GLU H . . 3.580 3.019 2.908 3.087 . 0 0 "[ . 1 . 2]" 1
517 1 55 THR HA 1 55 THR MG . . 3.360 2.500 2.234 2.736 . 0 0 "[ . 1 . 2]" 1
518 1 55 THR HA 1 58 ILE H . . 4.400 3.427 3.256 3.639 . 0 0 "[ . 1 . 2]" 1
519 1 55 THR HA 1 58 ILE HB . . 3.700 2.840 2.407 3.006 . 0 0 "[ . 1 . 2]" 1
520 1 55 THR HA 1 58 ILE MD . . 3.360 1.963 1.764 2.446 . 0 0 "[ . 1 . 2]" 1
521 1 55 THR HA 1 58 ILE HG13 . . 5.310 3.956 3.626 4.438 . 0 0 "[ . 1 . 2]" 1
522 1 55 THR HA 1 59 LEU H . . 4.550 4.327 3.975 4.448 . 0 0 "[ . 1 . 2]" 1
523 1 55 THR HA 1 59 LEU QD . . 3.850 3.254 2.947 3.762 . 0 0 "[ . 1 . 2]" 1
524 1 55 THR HB 1 56 GLU H . . 3.490 2.508 2.207 2.767 . 0 0 "[ . 1 . 2]" 1
525 1 55 THR HB 1 56 GLU HA . . 4.880 4.416 3.989 4.793 . 0 0 "[ . 1 . 2]" 1
526 1 55 THR MG 1 56 GLU H . . 4.630 3.141 2.338 3.795 . 0 0 "[ . 1 . 2]" 1
527 1 55 THR MG 1 56 GLU HA . . 4.330 3.382 2.742 4.176 . 0 0 "[ . 1 . 2]" 1
528 1 55 THR MG 1 58 ILE HB . . 3.920 3.681 3.256 3.941 0.021 9 0 "[ . 1 . 2]" 1
529 1 55 THR MG 1 59 LEU H . . 5.500 3.953 3.717 4.501 . 0 0 "[ . 1 . 2]" 1
530 1 55 THR MG 1 59 LEU QD . . 3.570 1.842 1.699 2.342 . 0 0 "[ . 1 . 2]" 1
531 1 56 GLU H 1 56 GLU HB2 . . 3.130 2.151 2.024 2.352 . 0 0 "[ . 1 . 2]" 1
532 1 56 GLU H 1 56 GLU HB3 . . 3.700 3.431 3.259 3.540 . 0 0 "[ . 1 . 2]" 1
533 1 56 GLU H 1 56 GLU HG2 . . 4.520 3.576 2.663 4.276 . 0 0 "[ . 1 . 2]" 1
534 1 56 GLU H 1 56 GLU HG3 . . 4.410 3.224 2.373 4.012 . 0 0 "[ . 1 . 2]" 1
535 1 56 GLU H 1 58 ILE H . . 5.300 4.329 4.135 4.481 . 0 0 "[ . 1 . 2]" 1
536 1 56 GLU HA 1 56 GLU HB2 . . 3.010 2.962 2.887 3.023 0.013 15 0 "[ . 1 . 2]" 1
537 1 56 GLU HA 1 56 GLU HB3 . . 3.040 2.772 2.653 2.873 . 0 0 "[ . 1 . 2]" 1
538 1 56 GLU HA 1 56 GLU HG2 . . 3.820 2.354 1.997 3.488 . 0 0 "[ . 1 . 2]" 1
539 1 56 GLU HA 1 56 GLU HG3 . . 3.960 2.947 2.074 3.593 . 0 0 "[ . 1 . 2]" 1
540 1 56 GLU HA 1 58 ILE H . . 5.200 4.374 4.250 4.489 . 0 0 "[ . 1 . 2]" 1
541 1 56 GLU HA 1 59 LEU H . . 5.170 3.334 3.006 3.465 . 0 0 "[ . 1 . 2]" 1
542 1 56 GLU HA 1 59 LEU HB2 . . 3.750 2.845 2.214 3.065 . 0 0 "[ . 1 . 2]" 1
543 1 56 GLU HA 1 59 LEU HB3 . . 4.800 4.541 3.873 4.778 . 0 0 "[ . 1 . 2]" 1
544 1 56 GLU HA 1 59 LEU QD . . 4.630 2.080 1.957 2.450 . 0 0 "[ . 1 . 2]" 1
545 1 56 GLU HB2 1 57 ALA HA . . 5.350 4.777 4.512 5.022 . 0 0 "[ . 1 . 2]" 1
546 1 56 GLU HB2 1 58 ILE H . . 5.500 5.236 4.923 5.396 . 0 0 "[ . 1 . 2]" 1
547 1 56 GLU HB3 1 57 ALA H . . 3.960 3.030 2.727 3.392 . 0 0 "[ . 1 . 2]" 1
548 1 56 GLU HB3 1 57 ALA MB . . 4.700 4.311 4.130 4.541 . 0 0 "[ . 1 . 2]" 1
549 1 57 ALA H 1 57 ALA MB . . 3.080 2.069 1.935 2.148 . 0 0 "[ . 1 . 2]" 1
550 1 57 ALA H 1 58 ILE H . . 3.930 2.893 2.755 3.005 . 0 0 "[ . 1 . 2]" 1
551 1 57 ALA H 1 58 ILE HB . . 5.500 4.902 4.643 5.047 . 0 0 "[ . 1 . 2]" 1
552 1 57 ALA H 1 58 ILE MD . . 5.500 4.631 4.289 5.017 . 0 0 "[ . 1 . 2]" 1
553 1 57 ALA H 1 58 ILE HG13 . . 5.200 4.848 4.594 5.212 0.012 9 0 "[ . 1 . 2]" 1
554 1 57 ALA HA 1 60 LYS HB2 . . 3.950 2.269 2.025 2.776 . 0 0 "[ . 1 . 2]" 1
555 1 57 ALA HA 1 60 LYS HB3 . . 3.990 2.431 2.297 2.590 . 0 0 "[ . 1 . 2]" 1
556 1 57 ALA HA 1 60 LYS HG3 . . 4.670 4.704 4.554 5.078 0.408 9 0 "[ . 1 . 2]" 1
557 1 57 ALA HA 1 61 HIS H . . 5.500 4.860 4.666 5.056 . 0 0 "[ . 1 . 2]" 1
558 1 57 ALA HA 1 61 HIS HD2 . . 4.500 4.438 4.070 4.516 0.016 6 0 "[ . 1 . 2]" 1
559 1 57 ALA HA 1 68 ALA MB . . 5.500 3.691 3.463 3.963 . 0 0 "[ . 1 . 2]" 1
560 1 57 ALA HA 1 71 VAL MG1 . . 5.500 4.568 4.061 5.049 . 0 0 "[ . 1 . 2]" 1
561 1 57 ALA HA 1 72 VAL MG2 . . 4.480 3.770 3.548 4.053 . 0 0 "[ . 1 . 2]" 1
562 1 57 ALA MB 1 58 ILE H . . 3.550 2.518 2.382 2.730 . 0 0 "[ . 1 . 2]" 1
563 1 57 ALA MB 1 58 ILE HA . . 5.210 3.761 3.686 3.810 . 0 0 "[ . 1 . 2]" 1
564 1 57 ALA MB 1 58 ILE MD . . 4.010 3.815 3.510 4.036 0.026 14 0 "[ . 1 . 2]" 1
565 1 57 ALA MB 1 58 ILE HG13 . . 4.890 3.186 3.031 3.372 . 0 0 "[ . 1 . 2]" 1
566 1 57 ALA MB 1 59 LEU H . . 5.500 4.703 4.457 4.812 . 0 0 "[ . 1 . 2]" 1
567 1 57 ALA MB 1 61 HIS HD2 . . 4.820 3.703 3.200 3.939 . 0 0 "[ . 1 . 2]" 1
568 1 57 ALA MB 1 68 ALA HA . . 3.730 2.855 2.234 3.499 . 0 0 "[ . 1 . 2]" 1
569 1 57 ALA MB 1 68 ALA MB . . 3.350 2.084 1.814 2.436 . 0 0 "[ . 1 . 2]" 1
570 1 57 ALA MB 1 71 VAL HB . . 4.460 3.927 3.489 4.478 0.018 13 0 "[ . 1 . 2]" 1
571 1 57 ALA MB 1 71 VAL MG1 . . 4.310 3.971 3.638 4.288 . 0 0 "[ . 1 . 2]" 1
572 1 57 ALA MB 1 72 VAL H . . 5.500 3.882 3.480 4.290 . 0 0 "[ . 1 . 2]" 1
573 1 57 ALA MB 1 72 VAL HA . . 4.070 4.019 3.789 4.092 0.022 20 0 "[ . 1 . 2]" 1
574 1 57 ALA MB 1 72 VAL MG1 . . 3.830 3.754 3.488 3.854 0.024 19 0 "[ . 1 . 2]" 1
575 1 57 ALA MB 1 72 VAL MG2 . . 2.930 1.845 1.741 1.966 . 0 0 "[ . 1 . 2]" 1
576 1 58 ILE H 1 58 ILE HB . . 3.210 2.338 2.193 2.422 . 0 0 "[ . 1 . 2]" 1
577 1 58 ILE H 1 58 ILE MD . . 3.850 2.923 2.700 3.161 . 0 0 "[ . 1 . 2]" 1
578 1 58 ILE H 1 58 ILE HG12 . . 3.870 3.733 3.580 3.916 0.046 20 0 "[ . 1 . 2]" 1
579 1 58 ILE H 1 58 ILE HG13 . . 3.180 2.322 2.095 2.606 . 0 0 "[ . 1 . 2]" 1
580 1 58 ILE H 1 58 ILE MG . . 3.920 3.685 3.629 3.703 . 0 0 "[ . 1 . 2]" 1
581 1 58 ILE H 1 59 LEU H . . 3.570 2.864 2.643 3.008 . 0 0 "[ . 1 . 2]" 1
582 1 58 ILE H 1 68 ALA MB . . 5.220 3.347 3.075 3.638 . 0 0 "[ . 1 . 2]" 1
583 1 58 ILE HA 1 58 ILE MD . . 4.060 3.796 3.732 3.846 . 0 0 "[ . 1 . 2]" 1
584 1 58 ILE HA 1 58 ILE HG12 . . 3.410 2.861 2.701 2.977 . 0 0 "[ . 1 . 2]" 1
585 1 58 ILE HA 1 58 ILE HG13 . . 3.250 2.481 2.336 2.643 . 0 0 "[ . 1 . 2]" 1
586 1 58 ILE HA 1 58 ILE MG . . 2.980 2.534 2.502 2.595 . 0 0 "[ . 1 . 2]" 1
587 1 58 ILE HA 1 61 HIS H . . 5.500 3.581 3.412 3.806 . 0 0 "[ . 1 . 2]" 1
588 1 58 ILE HA 1 61 HIS HB2 . . 5.500 4.104 3.674 4.347 . 0 0 "[ . 1 . 2]" 1
589 1 58 ILE HA 1 63 PHE H . . 4.900 3.519 3.245 3.860 . 0 0 "[ . 1 . 2]" 1
590 1 58 ILE HA 1 63 PHE HA . . 4.570 3.361 3.091 3.705 . 0 0 "[ . 1 . 2]" 1
591 1 58 ILE HA 1 64 ASP H . . 3.880 2.868 2.654 3.073 . 0 0 "[ . 1 . 2]" 1
592 1 58 ILE HA 1 68 ALA MB . . 3.270 2.611 2.395 2.769 . 0 0 "[ . 1 . 2]" 1
593 1 58 ILE HB 1 59 LEU H . . 3.110 2.507 2.343 2.802 . 0 0 "[ . 1 . 2]" 1
594 1 58 ILE MD 1 68 ALA MB . . 5.420 4.023 3.539 4.239 . 0 0 "[ . 1 . 2]" 1
595 1 58 ILE HG12 1 64 ASP H . . 5.500 3.737 3.069 4.014 . 0 0 "[ . 1 . 2]" 1
596 1 58 ILE HG12 1 65 VAL HA . . 4.720 4.085 3.496 4.421 . 0 0 "[ . 1 . 2]" 1
597 1 58 ILE HG12 1 68 ALA MB . . 5.090 3.629 3.243 3.913 . 0 0 "[ . 1 . 2]" 1
598 1 58 ILE HG13 1 58 ILE MG . . 3.340 3.131 3.084 3.183 . 0 0 "[ . 1 . 2]" 1
599 1 58 ILE HG13 1 63 PHE HA . . 4.720 4.725 4.533 4.794 0.074 13 0 "[ . 1 . 2]" 1
600 1 58 ILE HG13 1 68 ALA MB . . 3.210 2.868 2.388 3.112 . 0 0 "[ . 1 . 2]" 1
601 1 58 ILE MG 1 59 LEU H . . 4.230 3.159 2.959 3.355 . 0 0 "[ . 1 . 2]" 1
602 1 58 ILE MG 1 59 LEU HA . . 3.900 3.334 3.216 3.418 . 0 0 "[ . 1 . 2]" 1
603 1 58 ILE MG 1 63 PHE H . . 4.370 1.948 1.905 2.127 . 0 0 "[ . 1 . 2]" 1
604 1 58 ILE MG 1 63 PHE HA . . 3.230 1.790 1.754 1.896 . 0 0 "[ . 1 . 2]" 1
605 1 58 ILE MG 1 63 PHE HB2 . . 5.180 3.980 3.858 4.165 . 0 0 "[ . 1 . 2]" 1
606 1 58 ILE MG 1 63 PHE HB3 . . 5.500 3.476 3.302 3.656 . 0 0 "[ . 1 . 2]" 1
607 1 58 ILE MG 1 63 PHE QD . . 3.400 2.808 1.864 3.147 . 0 0 "[ . 1 . 2]" 1
608 1 58 ILE MG 1 63 PHE QE . . 3.720 3.443 2.846 3.775 0.055 14 0 "[ . 1 . 2]" 1
609 1 58 ILE MG 1 64 ASP H . . 5.500 3.077 2.823 3.256 . 0 0 "[ . 1 . 2]" 1
610 1 58 ILE MG 1 68 ALA MB . . 4.160 4.122 3.907 4.223 0.063 14 0 "[ . 1 . 2]" 1
611 1 59 LEU H 1 59 LEU HB2 . . 3.600 2.532 2.297 2.645 . 0 0 "[ . 1 . 2]" 1
612 1 59 LEU H 1 59 LEU QD . . 4.180 2.077 1.823 2.850 . 0 0 "[ . 1 . 2]" 1
613 1 59 LEU H 1 59 LEU HG . . 3.740 3.403 1.935 3.880 0.140 9 0 "[ . 1 . 2]" 1
614 1 59 LEU H 1 60 LYS H . . 4.110 2.584 2.519 2.638 . 0 0 "[ . 1 . 2]" 1
615 1 59 LEU HA 1 59 LEU QD . . 2.970 2.100 1.920 2.652 . 0 0 "[ . 1 . 2]" 1
616 1 59 LEU HA 1 60 LYS QE . . 5.350 5.375 5.351 5.430 0.080 14 0 "[ . 1 . 2]" 1
617 1 59 LEU HA 1 62 LYS H . . 3.860 3.017 2.664 3.194 . 0 0 "[ . 1 . 2]" 1
618 1 59 LEU HA 1 62 LYS QG . . 4.260 4.014 3.767 4.325 0.065 19 0 "[ . 1 . 2]" 1
619 1 59 LEU HB2 1 60 LYS H . . 3.730 3.367 3.068 3.406 . 0 0 "[ . 1 . 2]" 1
620 1 59 LEU HB3 1 59 LEU QD . . 3.190 2.410 1.966 2.560 . 0 0 "[ . 1 . 2]" 1
621 1 59 LEU HB3 1 60 LYS H . . 5.030 4.285 4.121 4.371 . 0 0 "[ . 1 . 2]" 1
622 1 59 LEU QD 1 63 PHE QE . . 4.440 2.687 2.350 3.150 . 0 0 "[ . 1 . 2]" 1
623 1 59 LEU QD 1 63 PHE HZ . . 3.410 3.362 3.159 3.424 0.014 16 0 "[ . 1 . 2]" 1
624 1 60 LYS H 1 60 LYS HB2 . . 3.430 2.334 2.201 2.541 . 0 0 "[ . 1 . 2]" 1
625 1 60 LYS H 1 60 LYS HB3 . . 3.430 2.693 2.532 2.782 . 0 0 "[ . 1 . 2]" 1
626 1 60 LYS H 1 60 LYS HD2 . . 5.500 4.472 4.164 4.952 . 0 0 "[ . 1 . 2]" 1
627 1 60 LYS H 1 60 LYS HG2 . . 5.230 4.636 4.609 4.650 . 0 0 "[ . 1 . 2]" 1
628 1 60 LYS H 1 60 LYS HG3 . . 5.500 4.408 4.372 4.424 . 0 0 "[ . 1 . 2]" 1
629 1 60 LYS H 1 61 HIS H . . 3.800 2.437 2.328 2.664 . 0 0 "[ . 1 . 2]" 1
630 1 60 LYS HA 1 60 LYS HD2 . . 5.500 3.480 3.288 3.716 . 0 0 "[ . 1 . 2]" 1
631 1 60 LYS HA 1 60 LYS QE . . 5.500 1.824 1.794 1.843 . 0 0 "[ . 1 . 2]" 1
632 1 60 LYS HA 1 60 LYS HG2 . . 3.900 3.618 3.585 3.693 . 0 0 "[ . 1 . 2]" 1
633 1 60 LYS HA 1 62 LYS H . . 5.500 4.135 3.986 4.213 . 0 0 "[ . 1 . 2]" 1
634 1 60 LYS HB2 1 61 HIS H . . 5.130 4.065 3.929 4.224 . 0 0 "[ . 1 . 2]" 1
635 1 60 LYS HB2 1 61 HIS HD2 . . 5.500 5.190 4.878 5.516 0.016 9 0 "[ . 1 . 2]" 1
636 1 60 LYS HB3 1 61 HIS H . . 4.010 3.339 3.240 3.439 . 0 0 "[ . 1 . 2]" 1
637 1 60 LYS HB3 1 61 HIS HD2 . . 4.450 3.621 3.314 3.901 . 0 0 "[ . 1 . 2]" 1
638 1 60 LYS HB3 1 61 HIS HE1 . . 4.950 3.808 3.449 4.364 . 0 0 "[ . 1 . 2]" 1
639 1 60 LYS QE 1 60 LYS HG2 . . 3.880 3.321 3.298 3.338 . 0 0 "[ . 1 . 2]" 1
640 1 60 LYS QE 1 61 HIS HE1 . . 5.500 5.520 5.503 5.560 0.060 14 0 "[ . 1 . 2]" 1
641 1 60 LYS HG3 1 61 HIS H . . 5.330 4.699 4.549 4.783 . 0 0 "[ . 1 . 2]" 1
642 1 60 LYS HG3 1 61 HIS HD2 . . 5.500 5.689 5.451 5.891 0.391 17 0 "[ . 1 . 2]" 1
643 1 60 LYS HG3 1 61 HIS HE1 . . 4.310 3.619 3.545 3.771 . 0 0 "[ . 1 . 2]" 1
644 1 61 HIS H 1 61 HIS HB2 . . 3.650 2.962 2.840 3.048 . 0 0 "[ . 1 . 2]" 1
645 1 61 HIS H 1 61 HIS HB3 . . 4.060 3.894 3.864 3.931 . 0 0 "[ . 1 . 2]" 1
646 1 61 HIS H 1 61 HIS HD2 . . 4.390 3.946 3.652 4.356 . 0 0 "[ . 1 . 2]" 1
647 1 61 HIS H 1 62 LYS H . . 3.770 2.292 2.093 2.396 . 0 0 "[ . 1 . 2]" 1
648 1 61 HIS H 1 63 PHE H . . 3.860 3.521 3.348 3.873 0.013 19 0 "[ . 1 . 2]" 1
649 1 61 HIS H 1 68 ALA MB . . 5.500 4.395 4.224 4.622 . 0 0 "[ . 1 . 2]" 1
650 1 61 HIS HA 1 61 HIS HD2 . . 5.050 4.805 4.757 4.839 . 0 0 "[ . 1 . 2]" 1
651 1 61 HIS HB2 1 62 LYS H . . 5.500 4.217 4.129 4.273 . 0 0 "[ . 1 . 2]" 1
652 1 61 HIS HB2 1 64 ASP HB3 . . 4.820 2.189 1.991 2.886 . 0 0 "[ . 1 . 2]" 1
653 1 61 HIS HB2 1 67 LYS HB2 . . 5.500 4.360 3.628 4.992 . 0 0 "[ . 1 . 2]" 1
654 1 61 HIS HB2 1 67 LYS HB3 . . 5.250 3.104 2.640 3.379 . 0 0 "[ . 1 . 2]" 1
655 1 61 HIS HB2 1 68 ALA HA . . 4.960 4.538 4.218 4.692 . 0 0 "[ . 1 . 2]" 1
656 1 61 HIS HB2 1 68 ALA MB . . 4.120 3.682 3.193 3.924 . 0 0 "[ . 1 . 2]" 1
657 1 61 HIS HB3 1 64 ASP H . . 5.060 5.048 4.890 5.097 0.037 20 0 "[ . 1 . 2]" 1
658 1 61 HIS HB3 1 64 ASP HB2 . . 5.040 3.013 2.458 3.602 . 0 0 "[ . 1 . 2]" 1
659 1 61 HIS HB3 1 64 ASP HB3 . . 4.280 2.844 2.662 3.200 . 0 0 "[ . 1 . 2]" 1
660 1 61 HIS HB3 1 67 LYS HB2 . . 4.480 4.027 3.344 4.557 0.077 12 0 "[ . 1 . 2]" 1
661 1 61 HIS HB3 1 67 LYS HB3 . . 4.550 3.066 2.606 3.419 . 0 0 "[ . 1 . 2]" 1
662 1 61 HIS HB3 1 67 LYS QD . . 5.500 4.163 2.685 5.035 . 0 0 "[ . 1 . 2]" 1
663 1 61 HIS HB3 1 67 LYS HG2 . . 5.420 4.056 2.434 5.424 0.004 16 0 "[ . 1 . 2]" 1
664 1 61 HIS HB3 1 67 LYS HG3 . . 4.460 4.244 3.775 4.884 0.424 11 0 "[ . 1 . 2]" 1
665 1 61 HIS HB3 1 68 ALA H . . 5.290 4.661 4.442 4.897 . 0 0 "[ . 1 . 2]" 1
666 1 61 HIS HB3 1 68 ALA MB . . 5.500 4.956 4.418 5.210 . 0 0 "[ . 1 . 2]" 1
667 1 61 HIS HD2 1 68 ALA HA . . 4.090 1.993 1.985 2.008 . 0 0 "[ . 1 . 2]" 1
668 1 61 HIS HD2 1 68 ALA MB . . 5.500 2.328 1.907 3.022 . 0 0 "[ . 1 . 2]" 1
669 1 61 HIS HD2 1 71 VAL MG1 . . 5.500 4.804 3.879 5.400 . 0 0 "[ . 1 . 2]" 1
670 1 61 HIS HD2 1 71 VAL MG2 . . 4.160 3.722 2.699 4.168 0.008 9 0 "[ . 1 . 2]" 1
671 1 61 HIS HE1 1 67 LYS HE2 . . 5.220 4.715 3.450 5.287 0.067 16 0 "[ . 1 . 2]" 1
672 1 61 HIS HE1 1 67 LYS HE3 . . 5.280 4.645 3.168 5.287 0.007 2 0 "[ . 1 . 2]" 1
673 1 61 HIS HE1 1 71 VAL MG2 . . 4.190 2.725 2.137 3.187 . 0 0 "[ . 1 . 2]" 1
674 1 62 LYS H 1 62 LYS QD . . 5.500 4.730 2.859 5.150 . 0 0 "[ . 1 . 2]" 1
675 1 62 LYS H 1 62 LYS QE . . 5.470 4.474 2.908 5.084 . 0 0 "[ . 1 . 2]" 1
676 1 62 LYS H 1 62 LYS QG . . 3.930 3.296 2.788 4.002 0.072 19 0 "[ . 1 . 2]" 1
677 1 62 LYS H 1 63 PHE H . . 3.960 3.255 3.180 3.429 . 0 0 "[ . 1 . 2]" 1
678 1 62 LYS HA 1 62 LYS QD . . 4.010 3.322 1.997 3.947 . 0 0 "[ . 1 . 2]" 1
679 1 62 LYS HA 1 62 LYS QE . . 5.160 2.628 1.882 3.309 . 0 0 "[ . 1 . 2]" 1
680 1 62 LYS HA 1 62 LYS QG . . 3.480 2.074 1.967 2.393 . 0 0 "[ . 1 . 2]" 1
681 1 62 LYS HA 1 63 PHE H . . 3.500 2.482 2.365 2.538 . 0 0 "[ . 1 . 2]" 1
682 1 62 LYS HA 1 63 PHE QD . . 4.710 2.670 2.337 3.893 . 0 0 "[ . 1 . 2]" 1
683 1 62 LYS HA 1 63 PHE QE . . 5.060 4.048 3.793 4.440 . 0 0 "[ . 1 . 2]" 1
684 1 62 LYS QB 1 63 PHE H . . 5.380 4.054 4.020 4.091 . 0 0 "[ . 1 . 2]" 1
685 1 62 LYS QB 1 63 PHE QD . . 5.390 3.649 3.109 4.086 . 0 0 "[ . 1 . 2]" 1
686 1 62 LYS QE 1 63 PHE HA . . 5.130 5.042 4.457 5.223 0.093 19 0 "[ . 1 . 2]" 1
687 1 62 LYS QE 1 63 PHE HZ . . 5.500 4.526 3.044 5.445 . 0 0 "[ . 1 . 2]" 1
688 1 63 PHE H 1 63 PHE QD . . 5.330 2.684 2.358 3.454 . 0 0 "[ . 1 . 2]" 1
689 1 63 PHE H 1 64 ASP H . . 4.180 3.446 3.362 3.638 . 0 0 "[ . 1 . 2]" 1
690 1 63 PHE HA 1 63 PHE QD . . 3.680 3.095 2.478 3.251 . 0 0 "[ . 1 . 2]" 1
691 1 63 PHE HB2 1 64 ASP H . . 5.500 4.523 4.444 4.582 . 0 0 "[ . 1 . 2]" 1
692 1 64 ASP H 1 64 ASP HB2 . . 3.560 3.112 2.811 3.282 . 0 0 "[ . 1 . 2]" 1
693 1 64 ASP H 1 64 ASP HB3 . . 3.540 3.227 3.088 3.603 0.063 6 0 "[ . 1 . 2]" 1
694 1 64 ASP H 1 65 VAL H . . 4.070 2.870 2.650 3.255 . 0 0 "[ . 1 . 2]" 1
695 1 64 ASP H 1 68 ALA MB . . 5.280 3.207 3.024 3.448 . 0 0 "[ . 1 . 2]" 1
696 1 64 ASP HB2 1 65 VAL H . . 5.090 4.707 4.653 4.729 . 0 0 "[ . 1 . 2]" 1
697 1 64 ASP HB2 1 67 LYS H . . 5.500 4.454 4.140 4.623 . 0 0 "[ . 1 . 2]" 1
698 1 64 ASP HB2 1 67 LYS HB2 . . 4.430 4.216 3.578 4.708 0.278 18 0 "[ . 1 . 2]" 1
699 1 64 ASP HB2 1 67 LYS HB3 . . 4.990 3.814 3.140 4.247 . 0 0 "[ . 1 . 2]" 1
700 1 64 ASP HB3 1 65 VAL H . . 5.410 4.358 4.210 4.412 . 0 0 "[ . 1 . 2]" 1
701 1 64 ASP HB3 1 67 LYS H . . 5.270 2.998 2.456 3.277 . 0 0 "[ . 1 . 2]" 1
702 1 64 ASP HB3 1 67 LYS HB2 . . 3.730 2.930 2.071 3.526 . 0 0 "[ . 1 . 2]" 1
703 1 64 ASP HB3 1 67 LYS HB3 . . 4.060 2.325 1.997 2.809 . 0 0 "[ . 1 . 2]" 1
704 1 64 ASP HB3 1 67 LYS QD . . 4.970 4.603 4.133 4.973 0.003 9 0 "[ . 1 . 2]" 1
705 1 64 ASP HB3 1 68 ALA H . . 5.500 2.935 2.653 3.445 . 0 0 "[ . 1 . 2]" 1
706 1 64 ASP HB3 1 68 ALA HA . . 5.390 5.005 4.711 5.395 0.005 6 0 "[ . 1 . 2]" 1
707 1 64 ASP HB3 1 68 ALA MB . . 5.470 3.728 3.484 4.028 . 0 0 "[ . 1 . 2]" 1
708 1 65 VAL H 1 65 VAL HB . . 3.440 2.454 2.335 2.725 . 0 0 "[ . 1 . 2]" 1
709 1 65 VAL H 1 65 VAL QG . . 3.850 1.998 1.856 2.158 . 0 0 "[ . 1 . 2]" 1
710 1 65 VAL H 1 66 GLN H . . 3.300 3.049 2.852 3.123 . 0 0 "[ . 1 . 2]" 1
711 1 65 VAL HA 1 68 ALA H . . 3.770 3.267 2.842 3.681 . 0 0 "[ . 1 . 2]" 1
712 1 65 VAL HA 1 68 ALA MB . . 3.490 2.137 1.972 2.316 . 0 0 "[ . 1 . 2]" 1
713 1 65 VAL HA 1 69 LEU H . . 4.580 3.322 3.076 3.538 . 0 0 "[ . 1 . 2]" 1
714 1 65 VAL HA 1 69 LEU HG . . 5.020 4.067 3.633 4.296 . 0 0 "[ . 1 . 2]" 1
715 1 65 VAL HB 1 66 GLN H . . 4.140 2.504 2.366 4.222 0.082 14 0 "[ . 1 . 2]" 1
716 1 65 VAL HB 1 68 ALA MB . . 4.820 4.645 3.657 4.837 0.017 5 0 "[ . 1 . 2]" 1
717 1 65 VAL QG 1 66 GLN H . . 4.510 2.965 2.061 3.136 . 0 0 "[ . 1 . 2]" 1
718 1 65 VAL QG 1 66 GLN HA . . 3.990 3.317 2.980 3.514 . 0 0 "[ . 1 . 2]" 1
719 1 65 VAL QG 1 66 GLN HG2 . . 5.500 4.275 4.071 4.787 . 0 0 "[ . 1 . 2]" 1
720 1 65 VAL QG 1 69 LEU HG . . 3.490 2.445 1.935 2.837 . 0 0 "[ . 1 . 2]" 1
721 1 66 GLN H 1 66 GLN HB2 . . 3.170 2.180 2.087 3.494 0.324 14 0 "[ . 1 . 2]" 1
722 1 66 GLN H 1 66 GLN HB3 . . 3.370 3.344 2.231 3.446 0.076 17 0 "[ . 1 . 2]" 1
723 1 66 GLN H 1 66 GLN HG2 . . 3.960 3.437 3.206 3.693 . 0 0 "[ . 1 . 2]" 1
724 1 66 GLN H 1 66 GLN HG3 . . 3.900 3.434 2.629 3.869 . 0 0 "[ . 1 . 2]" 1
725 1 66 GLN H 1 67 LYS H . . 3.440 2.990 2.786 3.108 . 0 0 "[ . 1 . 2]" 1
726 1 66 GLN H 1 68 ALA H . . 5.500 4.482 3.772 4.620 . 0 0 "[ . 1 . 2]" 1
727 1 66 GLN HA 1 69 LEU H . . 4.150 4.005 3.738 4.096 . 0 0 "[ . 1 . 2]" 1
728 1 66 GLN HA 1 69 LEU HB2 . . 3.600 3.178 2.971 3.315 . 0 0 "[ . 1 . 2]" 1
729 1 66 GLN HA 1 69 LEU HB3 . . 4.340 4.379 4.351 4.419 0.079 14 0 "[ . 1 . 2]" 1
730 1 66 GLN HA 1 69 LEU HG . . 5.500 5.229 4.640 5.502 0.002 8 0 "[ . 1 . 2]" 1
731 1 66 GLN HB2 1 67 LYS H . . 3.870 3.159 2.896 4.043 0.173 14 0 "[ . 1 . 2]" 1
732 1 66 GLN HB2 1 68 ALA H . . 5.380 5.417 5.371 5.708 0.328 14 0 "[ . 1 . 2]" 1
733 1 66 GLN HB3 1 67 LYS H . . 3.950 3.133 2.688 3.804 . 0 0 "[ . 1 . 2]" 1
734 1 66 GLN HB3 1 67 LYS HA . . 5.290 4.098 3.844 5.631 0.341 14 0 "[ . 1 . 2]" 1
735 1 67 LYS H 1 67 LYS HB2 . . 3.530 2.437 2.024 2.842 . 0 0 "[ . 1 . 2]" 1
736 1 67 LYS H 1 67 LYS HB3 . . 3.770 2.731 2.360 3.182 . 0 0 "[ . 1 . 2]" 1
737 1 67 LYS H 1 67 LYS QD . . 5.500 4.341 3.935 4.596 . 0 0 "[ . 1 . 2]" 1
738 1 67 LYS H 1 67 LYS HG2 . . 4.630 4.369 3.711 4.707 0.077 10 0 "[ . 1 . 2]" 1
739 1 67 LYS H 1 67 LYS HG3 . . 5.160 4.392 3.984 4.683 . 0 0 "[ . 1 . 2]" 1
740 1 67 LYS H 1 68 ALA H . . 3.750 2.445 2.155 2.772 . 0 0 "[ . 1 . 2]" 1
741 1 67 LYS H 1 69 LEU H . . 5.500 3.697 3.504 4.001 . 0 0 "[ . 1 . 2]" 1
742 1 67 LYS HA 1 67 LYS QD . . 3.370 2.586 2.105 3.305 . 0 0 "[ . 1 . 2]" 1
743 1 67 LYS HA 1 67 LYS HE2 . . 5.500 4.780 4.016 5.254 . 0 0 "[ . 1 . 2]" 1
744 1 67 LYS HA 1 67 LYS HE3 . . 5.270 4.528 3.355 5.195 . 0 0 "[ . 1 . 2]" 1
745 1 67 LYS HA 1 67 LYS HG3 . . 3.880 2.988 2.427 3.556 . 0 0 "[ . 1 . 2]" 1
746 1 67 LYS HA 1 68 ALA MB . . 5.500 4.991 4.954 5.006 . 0 0 "[ . 1 . 2]" 1
747 1 67 LYS HA 1 70 SER H . . 4.930 3.121 2.919 3.620 . 0 0 "[ . 1 . 2]" 1
748 1 67 LYS HB2 1 68 ALA H . . 4.630 3.579 3.030 3.973 . 0 0 "[ . 1 . 2]" 1
749 1 67 LYS HB3 1 68 ALA H . . 4.100 2.545 2.353 3.159 . 0 0 "[ . 1 . 2]" 1
750 1 67 LYS QD 1 70 SER H . . 5.500 4.830 3.909 5.430 . 0 0 "[ . 1 . 2]" 1
751 1 67 LYS QD 1 70 SER QB . . 4.280 3.238 2.676 4.144 . 0 0 "[ . 1 . 2]" 1
752 1 67 LYS QD 1 71 VAL MG2 . . 3.990 2.779 1.704 3.764 . 0 0 "[ . 1 . 2]" 1
753 1 67 LYS HE2 1 67 LYS HG3 . . 3.920 3.047 2.253 3.764 . 0 0 "[ . 1 . 2]" 1
754 1 67 LYS HE3 1 67 LYS HG2 . . 3.710 3.123 2.352 3.888 0.178 19 0 "[ . 1 . 2]" 1
755 1 67 LYS HE3 1 71 VAL MG2 . . 4.070 3.078 2.029 3.932 . 0 0 "[ . 1 . 2]" 1
756 1 68 ALA H 1 68 ALA MB . . 3.210 1.975 1.932 2.065 . 0 0 "[ . 1 . 2]" 1
757 1 68 ALA H 1 69 LEU H . . 3.640 2.842 2.420 2.975 . 0 0 "[ . 1 . 2]" 1
758 1 68 ALA H 1 70 SER H . . 5.190 4.468 4.077 5.079 . 0 0 "[ . 1 . 2]" 1
759 1 68 ALA HA 1 71 VAL H . . 4.490 3.552 3.263 3.705 . 0 0 "[ . 1 . 2]" 1
760 1 68 ALA HA 1 71 VAL HB . . 3.790 2.789 2.379 3.113 . 0 0 "[ . 1 . 2]" 1
761 1 68 ALA HA 1 71 VAL MG1 . . 5.500 4.075 3.326 4.456 . 0 0 "[ . 1 . 2]" 1
762 1 68 ALA HA 1 71 VAL MG2 . . 3.420 3.314 3.104 3.437 0.017 11 0 "[ . 1 . 2]" 1
763 1 68 ALA HA 1 72 VAL H . . 5.220 3.611 3.358 3.800 . 0 0 "[ . 1 . 2]" 1
764 1 68 ALA MB 1 69 LEU H . . 3.700 2.810 2.574 3.020 . 0 0 "[ . 1 . 2]" 1
765 1 68 ALA MB 1 69 LEU HA . . 3.800 3.799 3.762 3.862 0.062 14 0 "[ . 1 . 2]" 1
766 1 68 ALA MB 1 72 VAL HB . . 4.850 4.115 4.011 4.200 . 0 0 "[ . 1 . 2]" 1
767 1 68 ALA MB 1 72 VAL MG2 . . 4.910 2.800 2.630 2.991 . 0 0 "[ . 1 . 2]" 1
768 1 69 LEU H 1 69 LEU HB2 . . 3.380 2.053 2.014 2.112 . 0 0 "[ . 1 . 2]" 1
769 1 69 LEU H 1 69 LEU MD1 . . 4.030 3.734 3.309 3.936 . 0 0 "[ . 1 . 2]" 1
770 1 69 LEU H 1 69 LEU HG . . 3.720 3.279 3.045 3.442 . 0 0 "[ . 1 . 2]" 1
771 1 69 LEU H 1 70 SER H . . 3.860 2.619 2.455 2.998 . 0 0 "[ . 1 . 2]" 1
772 1 69 LEU H 1 71 VAL H . . 3.850 3.758 3.688 3.877 0.027 20 0 "[ . 1 . 2]" 1
773 1 69 LEU HA 1 69 LEU MD2 . . 2.740 2.106 1.963 2.479 . 0 0 "[ . 1 . 2]" 1
774 1 69 LEU HA 1 69 LEU HG . . 3.080 2.546 2.325 2.677 . 0 0 "[ . 1 . 2]" 1
775 1 69 LEU HA 1 72 VAL H . . 4.670 3.126 2.949 3.398 . 0 0 "[ . 1 . 2]" 1
776 1 69 LEU HA 1 72 VAL HB . . 3.730 2.094 1.989 2.397 . 0 0 "[ . 1 . 2]" 1
777 1 69 LEU HB2 1 69 LEU MD1 . . 2.900 2.180 2.027 2.310 . 0 0 "[ . 1 . 2]" 1
778 1 69 LEU HB2 1 69 LEU HG . . 2.430 2.530 2.479 2.671 0.241 12 0 "[ . 1 . 2]" 1
779 1 69 LEU HB2 1 70 SER H . . 3.480 2.866 2.626 3.137 . 0 0 "[ . 1 . 2]" 1
780 1 69 LEU HB3 1 69 LEU MD2 . . 2.740 2.322 2.181 2.425 . 0 0 "[ . 1 . 2]" 1
781 1 69 LEU HB3 1 70 SER H . . 4.300 3.010 2.363 3.481 . 0 0 "[ . 1 . 2]" 1
782 1 69 LEU HB3 1 70 SER HA . . 5.430 3.921 3.740 4.106 . 0 0 "[ . 1 . 2]" 1
783 1 69 LEU HG 1 72 VAL HB . . 4.140 4.194 4.153 4.292 0.152 11 0 "[ . 1 . 2]" 1
784 1 70 SER H 1 70 SER QB . . 3.130 2.093 2.000 2.488 . 0 0 "[ . 1 . 2]" 1
785 1 70 SER H 1 71 VAL MG2 . . 4.800 4.213 4.019 4.435 . 0 0 "[ . 1 . 2]" 1
786 1 70 SER H 1 72 VAL H . . 4.440 4.260 4.080 4.437 . 0 0 "[ . 1 . 2]" 1
787 1 70 SER H 1 72 VAL HB . . 5.090 5.066 4.973 5.119 0.029 12 0 "[ . 1 . 2]" 1
788 1 70 SER HA 1 70 SER QB . . 2.560 2.499 2.309 2.564 0.004 20 0 "[ . 1 . 2]" 1
789 1 70 SER HA 1 72 VAL H . . 5.040 4.853 4.484 5.021 . 0 0 "[ . 1 . 2]" 1
790 1 70 SER HA 1 73 LEU H . . 3.960 3.850 3.511 3.972 0.012 17 0 "[ . 1 . 2]" 1
791 1 70 SER HA 1 73 LEU QB . . 3.900 2.903 2.449 3.595 . 0 0 "[ . 1 . 2]" 1
792 1 70 SER HA 1 73 LEU QD . . 4.460 2.718 2.095 3.267 . 0 0 "[ . 1 . 2]" 1
793 1 70 SER QB 1 71 VAL H . . 4.230 2.931 2.789 3.009 . 0 0 "[ . 1 . 2]" 1
794 1 70 SER QB 1 71 VAL MG2 . . 4.350 2.876 2.679 3.116 . 0 0 "[ . 1 . 2]" 1
795 1 70 SER QB 1 72 VAL H . . 5.210 4.902 4.794 4.974 . 0 0 "[ . 1 . 2]" 1
796 1 71 VAL H 1 71 VAL HB . . 3.410 2.388 2.252 2.526 . 0 0 "[ . 1 . 2]" 1
797 1 71 VAL H 1 71 VAL MG1 . . 3.950 3.728 3.667 3.759 . 0 0 "[ . 1 . 2]" 1
798 1 71 VAL H 1 71 VAL MG2 . . 3.280 2.493 2.309 2.612 . 0 0 "[ . 1 . 2]" 1
799 1 71 VAL H 1 72 VAL H . . 3.570 2.307 2.230 2.463 . 0 0 "[ . 1 . 2]" 1
800 1 71 VAL H 1 72 VAL MG1 . . 5.500 5.396 5.329 5.540 0.040 11 0 "[ . 1 . 2]" 1
801 1 71 VAL H 1 73 LEU H . . 5.500 3.640 3.423 3.989 . 0 0 "[ . 1 . 2]" 1
802 1 71 VAL HA 1 71 VAL MG1 . . 3.610 2.397 2.276 2.487 . 0 0 "[ . 1 . 2]" 1
803 1 71 VAL HA 1 71 VAL MG2 . . 2.650 2.344 2.277 2.438 . 0 0 "[ . 1 . 2]" 1
804 1 71 VAL HA 1 74 GLU H . . 4.400 3.395 2.984 3.763 . 0 0 "[ . 1 . 2]" 1
805 1 71 VAL HA 1 74 GLU QB . . 3.310 3.030 2.116 3.347 0.037 11 0 "[ . 1 . 2]" 1
806 1 71 VAL HA 1 74 GLU QG . . 4.340 3.254 1.956 4.203 . 0 0 "[ . 1 . 2]" 1
807 1 71 VAL HA 1 75 GLN H . . 4.750 3.881 3.457 4.197 . 0 0 "[ . 1 . 2]" 1
808 1 71 VAL HB 1 72 VAL H . . 3.680 2.574 2.471 2.752 . 0 0 "[ . 1 . 2]" 1
809 1 71 VAL MG1 1 72 VAL H . . 4.610 3.478 3.352 3.693 . 0 0 "[ . 1 . 2]" 1
810 1 71 VAL MG1 1 74 GLU QB . . 4.940 3.993 3.414 4.498 . 0 0 "[ . 1 . 2]" 1
811 1 72 VAL H 1 72 VAL HB . . 3.410 2.220 2.143 2.317 . 0 0 "[ . 1 . 2]" 1
812 1 72 VAL H 1 72 VAL MG1 . . 3.630 3.646 3.599 3.682 0.052 13 0 "[ . 1 . 2]" 1
813 1 72 VAL H 1 72 VAL MG2 . . 3.140 2.440 2.292 2.604 . 0 0 "[ . 1 . 2]" 1
814 1 72 VAL H 1 73 LEU H . . 3.500 2.705 2.544 2.843 . 0 0 "[ . 1 . 2]" 1
815 1 72 VAL HA 1 72 VAL HB . . 3.000 3.004 2.994 3.018 0.018 13 0 "[ . 1 . 2]" 1
816 1 72 VAL HA 1 72 VAL MG1 . . 3.130 2.547 2.480 2.632 . 0 0 "[ . 1 . 2]" 1
817 1 72 VAL HB 1 73 LEU H . . 3.850 2.946 2.646 3.368 . 0 0 "[ . 1 . 2]" 1
818 1 72 VAL HB 1 73 LEU HA . . 5.220 4.613 4.372 4.781 . 0 0 "[ . 1 . 2]" 1
819 1 72 VAL MG1 1 73 LEU H . . 5.500 3.354 3.005 3.799 . 0 0 "[ . 1 . 2]" 1
820 1 72 VAL MG1 1 73 LEU HA . . 4.650 3.354 3.087 3.643 . 0 0 "[ . 1 . 2]" 1
821 1 72 VAL MG2 1 73 LEU H . . 4.250 4.136 3.987 4.265 0.015 18 0 "[ . 1 . 2]" 1
822 1 73 LEU H 1 73 LEU QB . . 3.310 2.197 2.092 2.333 . 0 0 "[ . 1 . 2]" 1
823 1 73 LEU H 1 73 LEU QD . . 3.860 3.194 1.971 3.442 . 0 0 "[ . 1 . 2]" 1
824 1 73 LEU H 1 73 LEU HG . . 3.320 2.878 2.515 3.493 0.173 12 0 "[ . 1 . 2]" 1
825 1 73 LEU H 1 74 GLU H . . 3.590 2.711 2.186 3.113 . 0 0 "[ . 1 . 2]" 1
826 1 73 LEU HA 1 73 LEU QD . . 2.800 2.176 1.950 2.882 0.082 19 0 "[ . 1 . 2]" 1
827 1 73 LEU HA 1 73 LEU HG . . 3.230 2.798 2.229 3.719 0.489 19 0 "[ . 1 . 2]" 1
828 1 73 LEU QB 1 73 LEU QD . . 2.720 1.933 1.889 1.957 . 0 0 "[ . 1 . 2]" 1
829 1 73 LEU QB 1 74 GLU H . . 4.560 2.563 2.282 3.239 . 0 0 "[ . 1 . 2]" 1
830 1 73 LEU QB 1 74 GLU HA . . 5.050 3.896 3.694 4.684 . 0 0 "[ . 1 . 2]" 1
831 1 73 LEU QB 1 75 GLN H . . 5.500 4.616 4.221 4.795 . 0 0 "[ . 1 . 2]" 1
832 1 73 LEU QD 1 74 GLU H . . 5.340 3.904 2.901 4.275 . 0 0 "[ . 1 . 2]" 1
833 1 74 GLU H 1 74 GLU QB . . 3.430 2.333 2.172 2.580 . 0 0 "[ . 1 . 2]" 1
834 1 74 GLU H 1 74 GLU QG . . 4.300 2.813 1.929 3.936 . 0 0 "[ . 1 . 2]" 1
835 1 74 GLU H 1 75 GLN H . . 3.590 2.773 2.380 3.138 . 0 0 "[ . 1 . 2]" 1
836 1 74 GLU H 1 76 ASP H . . 5.280 4.450 3.945 4.689 . 0 0 "[ . 1 . 2]" 1
837 1 74 GLU HA 1 74 GLU QG . . 3.630 2.793 2.376 3.364 . 0 0 "[ . 1 . 2]" 1
838 1 74 GLU QB 1 75 GLN H . . 4.300 2.851 2.177 3.805 . 0 0 "[ . 1 . 2]" 1
839 1 74 GLU QB 1 76 ASP H . . 5.500 5.035 4.607 5.451 . 0 0 "[ . 1 . 2]" 1
840 1 74 GLU QG 1 75 GLN H . . 4.090 3.298 2.254 3.939 . 0 0 "[ . 1 . 2]" 1
841 1 75 GLN H 1 75 GLN HB2 . . 3.620 2.194 2.029 2.590 . 0 0 "[ . 1 . 2]" 1
842 1 75 GLN H 1 75 GLN HB3 . . 3.540 2.986 2.496 3.564 0.024 6 0 "[ . 1 . 2]" 1
843 1 75 GLN H 1 75 GLN QG . . 4.040 3.631 2.149 4.030 . 0 0 "[ . 1 . 2]" 1
844 1 75 GLN H 1 76 ASP H . . 4.310 2.818 2.152 3.156 . 0 0 "[ . 1 . 2]" 1
845 1 75 GLN H 1 77 GLY H . . 5.500 4.105 3.770 4.479 . 0 0 "[ . 1 . 2]" 1
846 1 75 GLN HA 1 75 GLN QG . . 3.680 2.218 1.986 2.622 . 0 0 "[ . 1 . 2]" 1
847 1 75 GLN HA 1 76 ASP H . . 3.640 3.617 3.521 3.646 0.006 12 0 "[ . 1 . 2]" 1
848 1 75 GLN QG 1 76 ASP H . . 5.500 4.163 3.388 4.701 . 0 0 "[ . 1 . 2]" 1
849 1 76 ASP H 1 76 ASP QB . . 3.730 2.086 1.985 2.192 . 0 0 "[ . 1 . 2]" 1
850 1 76 ASP QB 1 77 GLY H . . 5.500 2.534 2.231 2.941 . 0 0 "[ . 1 . 2]" 1
851 1 77 GLY H 1 78 SER H . . 3.310 2.724 2.237 2.923 . 0 0 "[ . 1 . 2]" 1
852 1 79 GLY HA2 1 80 PRO QD . . 3.200 3.450 3.445 3.465 0.265 15 0 "[ . 1 . 2]" 1
853 1 79 GLY HA3 1 80 PRO QD . . 3.560 2.108 2.084 2.197 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, July 2, 2024 4:27:59 PM GMT (wattos1)