NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581187 |
2mj6   |
19707 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mj6
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 1723
_Distance_constraint_stats_list.Viol_count 2604
_Distance_constraint_stats_list.Viol_total 2001.440
_Distance_constraint_stats_list.Viol_max 0.359
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0384
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.090 0.090 15 0 "[ . 1 . 2]"
1 4 THR 0.522 0.090 15 0 "[ . 1 . 2]"
1 5 ARG 0.610 0.068 13 0 "[ . 1 . 2]"
1 6 THR 0.215 0.050 16 0 "[ . 1 . 2]"
1 7 ILE 1.499 0.103 17 0 "[ . 1 . 2]"
1 8 SER 0.939 0.096 15 0 "[ . 1 . 2]"
1 9 SER 0.650 0.075 4 0 "[ . 1 . 2]"
1 10 THR 1.528 0.076 15 0 "[ . 1 . 2]"
1 11 ALA 1.030 0.050 16 0 "[ . 1 . 2]"
1 12 GLN 1.525 0.064 9 0 "[ . 1 . 2]"
1 13 GLU 1.241 0.068 15 0 "[ . 1 . 2]"
1 14 ARG 3.406 0.156 10 0 "[ . 1 . 2]"
1 15 VAL 1.652 0.113 15 0 "[ . 1 . 2]"
1 16 ASP 3.475 0.156 10 0 "[ . 1 . 2]"
1 17 LEU 4.157 0.115 14 0 "[ . 1 . 2]"
1 18 GLU 4.379 0.115 14 0 "[ . 1 . 2]"
1 19 ALA 2.232 0.087 10 0 "[ . 1 . 2]"
1 20 VAL 0.270 0.033 17 0 "[ . 1 . 2]"
1 21 ARG 2.175 0.087 5 0 "[ . 1 . 2]"
1 22 LEU 5.317 0.098 20 0 "[ . 1 . 2]"
1 23 ALA 2.188 0.055 3 0 "[ . 1 . 2]"
1 24 SER 1.384 0.087 5 0 "[ . 1 . 2]"
1 25 ILE 6.002 0.098 20 0 "[ . 1 . 2]"
1 26 VAL 2.896 0.072 19 0 "[ . 1 . 2]"
1 27 ASP 0.566 0.038 15 0 "[ . 1 . 2]"
1 28 SER 0.897 0.071 14 0 "[ . 1 . 2]"
1 29 ARG 1.899 0.083 9 0 "[ . 1 . 2]"
1 30 LEU 5.576 0.088 20 0 "[ . 1 . 2]"
1 31 ILE 0.522 0.038 15 0 "[ . 1 . 2]"
1 32 GLY 2.803 0.099 17 0 "[ . 1 . 2]"
1 33 THR 2.818 0.099 17 0 "[ . 1 . 2]"
1 34 GLY 3.083 0.177 15 0 "[ . 1 . 2]"
1 35 SER 3.279 0.177 15 0 "[ . 1 . 2]"
1 36 VAL 2.120 0.069 16 0 "[ . 1 . 2]"
1 37 ASP 1.445 0.083 9 0 "[ . 1 . 2]"
1 38 GLU 0.817 0.065 9 0 "[ . 1 . 2]"
1 39 ASP 0.889 0.053 20 0 "[ . 1 . 2]"
1 40 PHE 4.205 0.359 11 0 "[ . 1 . 2]"
1 41 LEU 1.658 0.092 7 0 "[ . 1 . 2]"
1 42 ARG 3.953 0.112 9 0 "[ . 1 . 2]"
1 43 GLU 1.637 0.063 9 0 "[ . 1 . 2]"
1 44 GLN 4.121 0.359 11 0 "[ . 1 . 2]"
1 45 ILE 8.405 0.297 20 0 "[ . 1 . 2]"
1 46 ARG 3.014 0.297 20 0 "[ . 1 . 2]"
1 47 ASP 3.549 0.125 1 0 "[ . 1 . 2]"
1 48 ALA 3.029 0.097 20 0 "[ . 1 . 2]"
1 49 ARG 0.395 0.041 16 0 "[ . 1 . 2]"
1 50 TYR 4.523 0.083 17 0 "[ . 1 . 2]"
1 51 ALA 1.781 0.112 9 0 "[ . 1 . 2]"
1 52 VAL 1.054 0.091 11 0 "[ . 1 . 2]"
1 53 ILE 2.718 0.091 11 0 "[ . 1 . 2]"
1 54 ARG 1.585 0.140 10 0 "[ . 1 . 2]"
1 55 ILE 4.515 0.140 10 0 "[ . 1 . 2]"
1 56 PRO 0.522 0.044 11 0 "[ . 1 . 2]"
1 57 GLY 0.625 0.035 5 0 "[ . 1 . 2]"
1 58 GLN 3.338 0.085 1 0 "[ . 1 . 2]"
1 59 PRO 0.482 0.051 16 0 "[ . 1 . 2]"
1 60 VAL 0.692 0.087 15 0 "[ . 1 . 2]"
1 61 VAL 1.738 0.086 16 0 "[ . 1 . 2]"
1 62 GLU 0.576 0.086 16 0 "[ . 1 . 2]"
1 63 VAL 1.381 0.062 15 0 "[ . 1 . 2]"
1 64 GLY 0.365 0.044 19 0 "[ . 1 . 2]"
1 65 THR 1.457 0.079 11 0 "[ . 1 . 2]"
1 66 LYS 2.585 0.083 17 0 "[ . 1 . 2]"
1 67 PRO 2.079 0.075 20 0 "[ . 1 . 2]"
1 68 THR 1.726 0.085 6 0 "[ . 1 . 2]"
1 69 GLY 0.647 0.046 18 0 "[ . 1 . 2]"
1 70 ASP 1.882 0.086 6 0 "[ . 1 . 2]"
1 71 VAL 1.493 0.085 6 0 "[ . 1 . 2]"
1 72 LEU 3.577 0.076 10 0 "[ . 1 . 2]"
1 73 GLN 3.188 0.085 17 0 "[ . 1 . 2]"
1 74 GLY 0.821 0.113 15 0 "[ . 1 . 2]"
1 75 ARG 1.891 0.105 9 0 "[ . 1 . 2]"
1 76 ALA 0.752 0.066 5 0 "[ . 1 . 2]"
1 77 THR 1.275 0.062 16 0 "[ . 1 . 2]"
1 78 GLY 0.556 0.085 19 0 "[ . 1 . 2]"
1 79 GLU 0.491 0.108 19 0 "[ . 1 . 2]"
1 80 GLU 4.330 0.168 8 0 "[ . 1 . 2]"
1 81 GLY 3.988 0.168 8 0 "[ . 1 . 2]"
1 82 GLU 3.052 0.069 5 0 "[ . 1 . 2]"
1 83 THR 1.446 0.065 10 0 "[ . 1 . 2]"
1 84 VAL 0.527 0.053 10 0 "[ . 1 . 2]"
1 85 LEU 2.847 0.089 5 0 "[ . 1 . 2]"
1 86 VAL 3.622 0.097 20 0 "[ . 1 . 2]"
1 87 GLU 0.226 0.068 2 0 "[ . 1 . 2]"
1 88 GLU 2.968 0.111 17 0 "[ . 1 . 2]"
1 89 PRO 0.653 0.054 17 0 "[ . 1 . 2]"
1 90 ARG 1.484 0.086 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER QB 1 3 GLU H . . 4.600 3.014 2.317 4.065 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 3 GLU QG . . 4.400 2.965 2.079 4.199 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU HA 1 4 THR H . . 2.600 2.328 2.142 2.690 0.090 15 0 "[ . 1 . 2]" 1
4 1 4 THR HA 1 5 ARG H . . 2.900 2.273 2.029 2.472 . 0 0 "[ . 1 . 2]" 1
5 1 4 THR HB 1 5 ARG H . . 5.300 3.697 2.144 4.483 . 0 0 "[ . 1 . 2]" 1
6 1 4 THR MG 1 5 ARG H . . 5.400 2.824 1.994 3.997 . 0 0 "[ . 1 . 2]" 1
7 1 4 THR MG 1 5 ARG QD . . 5.000 4.820 3.988 5.068 0.068 13 0 "[ . 1 . 2]" 1
8 1 5 ARG H 1 5 ARG QB . . 3.600 2.658 2.049 3.292 . 0 0 "[ . 1 . 2]" 1
9 1 5 ARG H 1 5 ARG QD . . 4.100 3.667 2.199 4.158 0.058 17 0 "[ . 1 . 2]" 1
10 1 5 ARG H 1 5 ARG HG2 . . 5.100 3.245 2.060 4.776 . 0 0 "[ . 1 . 2]" 1
11 1 5 ARG H 1 5 ARG QG . . 4.300 2.870 2.007 4.156 . 0 0 "[ . 1 . 2]" 1
12 1 5 ARG H 1 5 ARG HG3 . . 5.100 3.682 2.073 4.835 . 0 0 "[ . 1 . 2]" 1
13 1 5 ARG HA 1 6 THR H . . 3.500 2.574 2.100 3.503 0.003 4 0 "[ . 1 . 2]" 1
14 1 5 ARG QB 1 6 THR H . . 3.700 2.940 1.748 3.680 . 0 0 "[ . 1 . 2]" 1
15 1 5 ARG HB2 1 6 THR H . . 4.500 3.480 2.425 4.469 . 0 0 "[ . 1 . 2]" 1
16 1 5 ARG HB3 1 6 THR H . . 4.500 3.527 1.793 4.388 . 0 0 "[ . 1 . 2]" 1
17 1 5 ARG QG 1 6 THR H . . 5.300 3.966 2.279 4.784 . 0 0 "[ . 1 . 2]" 1
18 1 6 THR H 1 6 THR HB . . 3.700 2.924 2.452 3.706 0.006 16 0 "[ . 1 . 2]" 1
19 1 6 THR H 1 6 THR MG . . 3.900 3.315 2.191 3.942 0.042 9 0 "[ . 1 . 2]" 1
20 1 6 THR HA 1 6 THR MG . . 3.600 2.769 2.300 3.272 . 0 0 "[ . 1 . 2]" 1
21 1 6 THR HA 1 7 ILE H . . 2.900 2.341 2.095 2.747 . 0 0 "[ . 1 . 2]" 1
22 1 6 THR HB 1 7 ILE H . . 4.400 4.013 3.599 4.427 0.027 7 0 "[ . 1 . 2]" 1
23 1 6 THR MG 1 7 ILE H . . 4.100 2.996 2.217 4.150 0.050 16 0 "[ . 1 . 2]" 1
24 1 6 THR MG 1 8 SER H . . 5.500 4.782 4.129 5.510 0.010 7 0 "[ . 1 . 2]" 1
25 1 7 ILE H 1 7 ILE HB . . 3.200 2.698 2.424 3.204 0.004 17 0 "[ . 1 . 2]" 1
26 1 7 ILE H 1 7 ILE MD . . 4.200 3.728 1.991 4.303 0.103 17 0 "[ . 1 . 2]" 1
27 1 7 ILE H 1 7 ILE HG12 . . 4.200 3.493 2.067 4.293 0.093 6 0 "[ . 1 . 2]" 1
28 1 7 ILE H 1 7 ILE QG . . 3.500 2.677 1.959 3.461 . 0 0 "[ . 1 . 2]" 1
29 1 7 ILE H 1 7 ILE HG13 . . 4.200 3.090 1.980 4.244 0.044 18 0 "[ . 1 . 2]" 1
30 1 7 ILE H 1 7 ILE MG . . 4.100 3.895 3.761 4.071 . 0 0 "[ . 1 . 2]" 1
31 1 7 ILE HA 1 7 ILE MD . . 3.900 3.408 2.175 3.945 0.045 17 0 "[ . 1 . 2]" 1
32 1 7 ILE HA 1 7 ILE QG . . 3.000 2.626 2.416 3.036 0.036 11 0 "[ . 1 . 2]" 1
33 1 7 ILE HA 1 7 ILE MG . . 3.600 2.394 2.195 2.492 . 0 0 "[ . 1 . 2]" 1
34 1 7 ILE HA 1 8 SER H . . 2.700 2.209 2.008 2.497 . 0 0 "[ . 1 . 2]" 1
35 1 7 ILE HB 1 8 SER H . . 4.100 3.988 3.303 4.196 0.096 15 0 "[ . 1 . 2]" 1
36 1 7 ILE QG 1 8 SER H . . 4.600 4.281 3.808 4.658 0.058 19 0 "[ . 1 . 2]" 1
37 1 7 ILE HG12 1 8 SER H . . 5.500 4.680 4.166 5.320 . 0 0 "[ . 1 . 2]" 1
38 1 7 ILE HG13 1 8 SER H . . 5.500 5.053 3.989 5.393 . 0 0 "[ . 1 . 2]" 1
39 1 7 ILE MG 1 8 SER H . . 3.600 2.438 1.896 2.898 . 0 0 "[ . 1 . 2]" 1
40 1 7 ILE MG 1 8 SER HA . . 5.000 4.178 3.910 4.467 . 0 0 "[ . 1 . 2]" 1
41 1 7 ILE MG 1 8 SER QB . . 4.900 3.879 3.295 4.454 . 0 0 "[ . 1 . 2]" 1
42 1 8 SER H 1 8 SER QB . . 2.800 2.497 2.223 2.733 . 0 0 "[ . 1 . 2]" 1
43 1 8 SER HA 1 9 SER H . . 2.800 2.488 2.146 2.875 0.075 4 0 "[ . 1 . 2]" 1
44 1 8 SER QB 1 11 ALA H . . 5.500 3.648 2.984 4.430 . 0 0 "[ . 1 . 2]" 1
45 1 8 SER QB 1 11 ALA MB . . 4.800 3.189 2.579 3.912 . 0 0 "[ . 1 . 2]" 1
46 1 8 SER QB 1 12 GLN H . . 3.900 3.137 2.353 3.912 0.012 15 0 "[ . 1 . 2]" 1
47 1 9 SER H 1 9 SER HB2 . . 3.800 2.835 2.494 3.545 . 0 0 "[ . 1 . 2]" 1
48 1 9 SER H 1 9 SER HB3 . . 3.800 3.453 2.557 3.841 0.041 12 0 "[ . 1 . 2]" 1
49 1 9 SER H 1 13 GLU QB . . 4.800 4.734 4.541 4.786 . 0 0 "[ . 1 . 2]" 1
50 1 9 SER HA 1 10 THR H . . 3.200 2.756 2.415 3.218 0.018 6 0 "[ . 1 . 2]" 1
51 1 9 SER HA 1 10 THR MG . . 5.300 4.609 4.487 4.791 . 0 0 "[ . 1 . 2]" 1
52 1 9 SER HA 1 11 ALA H . . 5.500 5.114 4.748 5.531 0.031 6 0 "[ . 1 . 2]" 1
53 1 9 SER HA 1 13 GLU HB2 . . 4.800 2.379 2.191 2.710 . 0 0 "[ . 1 . 2]" 1
54 1 9 SER HA 1 13 GLU HB3 . . 4.800 3.613 3.476 3.796 . 0 0 "[ . 1 . 2]" 1
55 1 9 SER QB 1 10 THR H . . 3.900 3.848 3.394 3.938 0.038 14 0 "[ . 1 . 2]" 1
56 1 9 SER QB 1 10 THR MG . . 5.300 3.731 3.070 4.482 . 0 0 "[ . 1 . 2]" 1
57 1 9 SER QB 1 13 GLU QB . . 3.700 3.084 2.609 3.731 0.031 6 0 "[ . 1 . 2]" 1
58 1 9 SER HB2 1 13 GLU HB2 . . 5.400 4.296 2.725 5.060 . 0 0 "[ . 1 . 2]" 1
59 1 9 SER HB2 1 13 GLU HB3 . . 5.400 5.216 4.196 5.406 0.006 18 0 "[ . 1 . 2]" 1
60 1 9 SER HB3 1 13 GLU HB2 . . 5.400 3.396 2.676 4.168 . 0 0 "[ . 1 . 2]" 1
61 1 9 SER HB3 1 13 GLU HB3 . . 5.400 4.625 4.154 5.367 . 0 0 "[ . 1 . 2]" 1
62 1 10 THR H 1 10 THR HB . . 3.800 3.822 3.682 3.876 0.076 15 0 "[ . 1 . 2]" 1
63 1 10 THR H 1 10 THR MG . . 3.400 3.278 2.816 3.384 . 0 0 "[ . 1 . 2]" 1
64 1 10 THR H 1 11 ALA MB . . 4.900 3.912 3.773 4.261 . 0 0 "[ . 1 . 2]" 1
65 1 10 THR H 1 13 GLU H . . 4.700 2.783 2.526 3.684 . 0 0 "[ . 1 . 2]" 1
66 1 10 THR H 1 13 GLU HB2 . . 4.300 3.695 3.209 4.198 . 0 0 "[ . 1 . 2]" 1
67 1 10 THR H 1 13 GLU QB . . 3.700 3.271 2.920 3.704 0.004 8 0 "[ . 1 . 2]" 1
68 1 10 THR H 1 13 GLU HB3 . . 4.300 3.661 3.360 4.141 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR H 1 13 GLU QG . . 5.400 5.137 4.804 5.390 . 0 0 "[ . 1 . 2]" 1
70 1 10 THR HA 1 10 THR MG . . 3.400 2.325 2.300 2.346 . 0 0 "[ . 1 . 2]" 1
71 1 10 THR HA 1 11 ALA MB . . 5.000 5.015 4.973 5.028 0.028 3 0 "[ . 1 . 2]" 1
72 1 10 THR HA 1 12 GLN H . . 5.200 5.000 4.850 5.193 . 0 0 "[ . 1 . 2]" 1
73 1 10 THR HA 1 13 GLU H . . 4.600 3.887 3.791 4.115 . 0 0 "[ . 1 . 2]" 1
74 1 10 THR HA 1 13 GLU HB2 . . 4.800 3.937 3.747 4.204 . 0 0 "[ . 1 . 2]" 1
75 1 10 THR HA 1 13 GLU QB . . 4.200 2.752 2.616 3.072 . 0 0 "[ . 1 . 2]" 1
76 1 10 THR HA 1 13 GLU HB3 . . 4.800 2.811 2.661 3.165 . 0 0 "[ . 1 . 2]" 1
77 1 10 THR HA 1 14 ARG H . . 5.200 3.827 3.630 4.078 . 0 0 "[ . 1 . 2]" 1
78 1 10 THR HB 1 11 ALA H . . 3.300 2.927 2.608 3.086 . 0 0 "[ . 1 . 2]" 1
79 1 10 THR HB 1 11 ALA MB . . 4.300 4.115 3.881 4.265 . 0 0 "[ . 1 . 2]" 1
80 1 10 THR HB 1 13 GLU H . . 5.500 5.499 5.379 5.534 0.034 16 0 "[ . 1 . 2]" 1
81 1 10 THR HB 1 13 GLU QB . . 5.300 4.929 4.809 5.103 . 0 0 "[ . 1 . 2]" 1
82 1 10 THR MG 1 11 ALA H . . 4.200 3.766 3.697 3.854 . 0 0 "[ . 1 . 2]" 1
83 1 10 THR MG 1 12 GLN H . . 5.500 5.479 5.364 5.525 0.025 6 0 "[ . 1 . 2]" 1
84 1 10 THR MG 1 13 GLU H . . 5.500 5.183 5.083 5.302 . 0 0 "[ . 1 . 2]" 1
85 1 10 THR MG 1 13 GLU QG . . 5.300 5.018 4.869 5.323 0.023 15 0 "[ . 1 . 2]" 1
86 1 11 ALA H 1 11 ALA MB . . 2.800 2.204 2.176 2.226 . 0 0 "[ . 1 . 2]" 1
87 1 11 ALA H 1 13 GLU H . . 3.900 3.930 3.883 3.950 0.050 16 0 "[ . 1 . 2]" 1
88 1 11 ALA H 1 72 LEU QD . . 4.900 4.582 4.315 4.884 . 0 0 "[ . 1 . 2]" 1
89 1 11 ALA HA 1 13 GLU H . . 4.600 4.373 4.200 4.454 . 0 0 "[ . 1 . 2]" 1
90 1 11 ALA HA 1 14 ARG H . . 4.900 3.973 3.792 4.168 . 0 0 "[ . 1 . 2]" 1
91 1 11 ALA HA 1 14 ARG QB . . 4.500 4.236 4.044 4.467 . 0 0 "[ . 1 . 2]" 1
92 1 11 ALA HA 1 14 ARG QD . . 4.100 3.305 2.908 3.756 . 0 0 "[ . 1 . 2]" 1
93 1 11 ALA HA 1 14 ARG HG2 . . 4.200 2.444 2.215 2.650 . 0 0 "[ . 1 . 2]" 1
94 1 11 ALA HA 1 14 ARG QG . . 3.600 2.329 2.170 2.580 . 0 0 "[ . 1 . 2]" 1
95 1 11 ALA HA 1 14 ARG HG3 . . 4.200 3.066 2.597 3.956 . 0 0 "[ . 1 . 2]" 1
96 1 11 ALA HA 1 72 LEU QD . . 5.400 3.750 3.413 4.201 . 0 0 "[ . 1 . 2]" 1
97 1 11 ALA MB 1 12 GLN H . . 3.400 2.535 2.459 2.707 . 0 0 "[ . 1 . 2]" 1
98 1 11 ALA MB 1 12 GLN HA . . 4.400 4.054 4.000 4.126 . 0 0 "[ . 1 . 2]" 1
99 1 11 ALA MB 1 13 GLU H . . 4.900 4.436 4.357 4.490 . 0 0 "[ . 1 . 2]" 1
100 1 11 ALA MB 1 14 ARG H . . 5.500 5.090 4.952 5.240 . 0 0 "[ . 1 . 2]" 1
101 1 11 ALA MB 1 72 LEU MD1 . . 3.700 2.346 2.125 2.564 . 0 0 "[ . 1 . 2]" 1
102 1 11 ALA MB 1 72 LEU QD . . 3.000 2.262 2.029 2.520 . 0 0 "[ . 1 . 2]" 1
103 1 11 ALA MB 1 72 LEU MD2 . . 3.700 3.076 2.523 3.705 0.005 4 0 "[ . 1 . 2]" 1
104 1 12 GLN H 1 12 GLN HB2 . . 3.400 2.636 2.556 2.718 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLN H 1 12 GLN HB3 . . 3.400 2.424 2.361 2.499 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLN H 1 12 GLN QG . . 4.400 4.039 3.997 4.088 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLN H 1 13 GLU H . . 3.400 2.596 2.432 2.705 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLN H 1 13 GLU HA . . 5.500 5.245 5.121 5.360 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLN H 1 72 LEU QD . . 3.800 3.301 2.971 3.676 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLN HA 1 12 GLN HE21 . . 4.500 3.742 2.532 4.504 0.004 19 0 "[ . 1 . 2]" 1
111 1 12 GLN HA 1 12 GLN HE22 . . 4.500 3.952 3.331 4.372 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLN HA 1 12 GLN QG . . 3.700 3.130 3.088 3.157 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLN HA 1 15 VAL H . . 4.600 3.854 3.647 3.990 . 0 0 "[ . 1 . 2]" 1
114 1 12 GLN HA 1 15 VAL HB . . 5.200 4.593 2.431 5.216 0.016 14 0 "[ . 1 . 2]" 1
115 1 12 GLN HA 1 15 VAL MG1 . . 3.800 3.633 3.288 3.782 . 0 0 "[ . 1 . 2]" 1
116 1 12 GLN HA 1 15 VAL QG . . 3.200 2.350 2.093 3.129 . 0 0 "[ . 1 . 2]" 1
117 1 12 GLN HA 1 15 VAL MG2 . . 3.800 2.432 2.105 3.481 . 0 0 "[ . 1 . 2]" 1
118 1 12 GLN HA 1 16 ASP H . . 5.200 5.076 4.572 5.259 0.059 8 0 "[ . 1 . 2]" 1
119 1 12 GLN HA 1 72 LEU QD . . 2.800 2.584 2.313 2.852 0.052 20 0 "[ . 1 . 2]" 1
120 1 12 GLN QB 1 72 LEU QD . . 3.800 2.367 2.109 2.594 . 0 0 "[ . 1 . 2]" 1
121 1 12 GLN QE 1 12 GLN QG . . 3.100 2.200 2.147 2.338 . 0 0 "[ . 1 . 2]" 1
122 1 12 GLN QE 1 15 VAL QG . . 3.500 2.660 2.096 3.554 0.054 15 0 "[ . 1 . 2]" 1
123 1 12 GLN QE 1 16 ASP H . . 5.000 4.730 3.597 5.008 0.008 17 0 "[ . 1 . 2]" 1
124 1 12 GLN QE 1 73 GLN H . . 4.100 2.994 2.819 3.091 . 0 0 "[ . 1 . 2]" 1
125 1 12 GLN QE 1 74 GLY HA2 . . 3.700 3.217 3.032 3.387 . 0 0 "[ . 1 . 2]" 1
126 1 12 GLN QE 1 74 GLY HA3 . . 4.700 4.442 3.653 4.707 0.007 13 0 "[ . 1 . 2]" 1
127 1 12 GLN QE 1 75 ARG H . . 5.300 4.951 4.741 5.222 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLN HE21 1 73 GLN H . . 4.600 4.603 4.469 4.655 0.055 10 0 "[ . 1 . 2]" 1
129 1 12 GLN HE21 1 74 GLY HA2 . . 4.300 4.108 3.477 4.364 0.064 9 0 "[ . 1 . 2]" 1
130 1 12 GLN HE22 1 73 GLN H . . 4.600 3.034 2.850 3.138 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLN HE22 1 74 GLY HA2 . . 4.300 3.370 3.199 3.529 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLN QG 1 72 LEU QD . . 5.000 3.630 3.257 3.943 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLN QG 1 73 GLN H . . 4.800 4.772 4.669 4.793 . 0 0 "[ . 1 . 2]" 1
134 1 13 GLU H 1 13 GLU HB2 . . 3.500 2.494 2.416 2.603 . 0 0 "[ . 1 . 2]" 1
135 1 13 GLU H 1 13 GLU QB . . 2.900 2.217 2.181 2.265 . 0 0 "[ . 1 . 2]" 1
136 1 13 GLU H 1 13 GLU HB3 . . 3.500 2.489 2.405 2.582 . 0 0 "[ . 1 . 2]" 1
137 1 13 GLU H 1 13 GLU QG . . 4.600 4.038 4.006 4.067 . 0 0 "[ . 1 . 2]" 1
138 1 13 GLU HA 1 13 GLU QG . . 3.800 2.875 2.423 3.055 . 0 0 "[ . 1 . 2]" 1
139 1 13 GLU HA 1 15 VAL H . . 4.500 4.472 4.369 4.568 0.068 15 0 "[ . 1 . 2]" 1
140 1 13 GLU HA 1 15 VAL QG . . 5.400 4.327 4.056 5.253 . 0 0 "[ . 1 . 2]" 1
141 1 13 GLU HA 1 16 ASP H . . 4.000 3.626 3.272 3.813 . 0 0 "[ . 1 . 2]" 1
142 1 13 GLU HA 1 16 ASP HB2 . . 4.200 3.506 3.253 3.681 . 0 0 "[ . 1 . 2]" 1
143 1 13 GLU HA 1 16 ASP QB . . 3.600 3.174 2.854 3.388 . 0 0 "[ . 1 . 2]" 1
144 1 13 GLU HA 1 16 ASP HB3 . . 4.200 3.634 3.159 3.978 . 0 0 "[ . 1 . 2]" 1
145 1 13 GLU HA 1 17 LEU QD . . 5.400 4.129 3.581 4.844 . 0 0 "[ . 1 . 2]" 1
146 1 13 GLU QG 1 14 ARG H . . 4.800 3.438 3.133 4.038 . 0 0 "[ . 1 . 2]" 1
147 1 13 GLU QG 1 16 ASP H . . 5.500 4.763 4.623 4.911 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG H 1 14 ARG QB . . 2.800 2.571 2.417 2.651 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG H 1 14 ARG QD . . 4.500 4.422 4.172 4.519 0.019 2 0 "[ . 1 . 2]" 1
150 1 14 ARG H 1 14 ARG HG2 . . 3.600 2.942 2.429 3.384 . 0 0 "[ . 1 . 2]" 1
151 1 14 ARG H 1 14 ARG QG . . 3.100 2.607 2.395 2.719 . 0 0 "[ . 1 . 2]" 1
152 1 14 ARG H 1 14 ARG HG3 . . 3.600 3.024 2.503 3.631 0.031 9 0 "[ . 1 . 2]" 1
153 1 14 ARG H 1 15 VAL H . . 3.500 2.985 2.914 3.037 . 0 0 "[ . 1 . 2]" 1
154 1 14 ARG H 1 16 ASP H . . 4.100 4.226 4.191 4.256 0.156 10 0 "[ . 1 . 2]" 1
155 1 14 ARG H 1 17 LEU QD . . 5.400 4.294 3.905 5.004 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG HA 1 14 ARG QB . . 2.800 2.138 2.121 2.163 . 0 0 "[ . 1 . 2]" 1
157 1 14 ARG HA 1 14 ARG QD . . 4.800 4.346 3.877 4.532 . 0 0 "[ . 1 . 2]" 1
158 1 14 ARG HA 1 14 ARG HG2 . . 4.100 4.033 3.792 4.171 0.071 13 0 "[ . 1 . 2]" 1
159 1 14 ARG HA 1 14 ARG HG3 . . 4.100 3.713 3.647 3.792 . 0 0 "[ . 1 . 2]" 1
160 1 14 ARG HA 1 17 LEU H . . 4.400 3.476 3.117 3.812 . 0 0 "[ . 1 . 2]" 1
161 1 14 ARG HA 1 17 LEU QB . . 5.200 3.330 2.730 3.732 . 0 0 "[ . 1 . 2]" 1
162 1 14 ARG HA 1 17 LEU QD . . 4.000 2.649 2.183 3.307 . 0 0 "[ . 1 . 2]" 1
163 1 14 ARG QB 1 14 ARG QD . . 3.200 2.282 2.107 2.647 . 0 0 "[ . 1 . 2]" 1
164 1 14 ARG QB 1 14 ARG HE . . 3.200 2.636 2.219 3.074 . 0 0 "[ . 1 . 2]" 1
165 1 14 ARG HE 1 14 ARG QG . . 2.800 2.677 2.263 2.881 0.081 16 0 "[ . 1 . 2]" 1
166 1 14 ARG QG 1 15 VAL H . . 3.500 2.215 2.086 2.401 . 0 0 "[ . 1 . 2]" 1
167 1 14 ARG HG2 1 15 VAL H . . 4.100 3.646 2.704 4.083 . 0 0 "[ . 1 . 2]" 1
168 1 14 ARG HG3 1 15 VAL H . . 4.100 2.243 2.105 2.562 . 0 0 "[ . 1 . 2]" 1
169 1 15 VAL H 1 15 VAL HB . . 4.200 3.444 2.230 3.781 . 0 0 "[ . 1 . 2]" 1
170 1 15 VAL H 1 15 VAL QG . . 3.000 2.109 1.968 2.555 . 0 0 "[ . 1 . 2]" 1
171 1 15 VAL H 1 16 ASP H . . 3.300 2.764 2.704 2.834 . 0 0 "[ . 1 . 2]" 1
172 1 15 VAL H 1 16 ASP HB2 . . 5.500 5.035 4.939 5.161 . 0 0 "[ . 1 . 2]" 1
173 1 15 VAL H 1 16 ASP QB . . 4.700 4.547 4.463 4.648 . 0 0 "[ . 1 . 2]" 1
174 1 15 VAL H 1 16 ASP HB3 . . 5.500 5.183 5.053 5.379 . 0 0 "[ . 1 . 2]" 1
175 1 15 VAL H 1 17 LEU H . . 5.100 4.609 4.405 4.743 . 0 0 "[ . 1 . 2]" 1
176 1 15 VAL H 1 18 GLU HG2 . . 5.000 4.534 4.430 4.674 . 0 0 "[ . 1 . 2]" 1
177 1 15 VAL HA 1 18 GLU H . . 3.800 3.809 3.682 3.873 0.073 16 0 "[ . 1 . 2]" 1
178 1 15 VAL HA 1 18 GLU QB . . 4.300 4.114 4.050 4.214 . 0 0 "[ . 1 . 2]" 1
179 1 15 VAL HA 1 18 GLU HG2 . . 3.800 2.232 2.155 2.303 . 0 0 "[ . 1 . 2]" 1
180 1 15 VAL HA 1 18 GLU HG3 . . 4.800 2.805 2.651 3.005 . 0 0 "[ . 1 . 2]" 1
181 1 15 VAL HB 1 16 ASP H . . 4.400 3.943 3.065 4.196 . 0 0 "[ . 1 . 2]" 1
182 1 15 VAL HB 1 74 GLY H . . 5.100 3.559 2.869 5.213 0.113 15 0 "[ . 1 . 2]" 1
183 1 15 VAL QG 1 16 ASP H . . 3.200 2.863 2.621 3.281 0.081 3 0 "[ . 1 . 2]" 1
184 1 15 VAL QG 1 16 ASP HA . . 3.800 3.618 3.383 3.743 . 0 0 "[ . 1 . 2]" 1
185 1 15 VAL QG 1 16 ASP QB . . 4.600 3.554 3.173 3.920 . 0 0 "[ . 1 . 2]" 1
186 1 15 VAL QG 1 74 GLY H . . 4.100 3.072 2.517 3.394 . 0 0 "[ . 1 . 2]" 1
187 1 15 VAL QG 1 74 GLY HA2 . . 4.000 2.545 2.422 2.745 . 0 0 "[ . 1 . 2]" 1
188 1 15 VAL QG 1 74 GLY HA3 . . 3.900 2.704 2.154 2.995 . 0 0 "[ . 1 . 2]" 1
189 1 15 VAL QG 1 87 GLU HA . . 5.400 4.085 3.712 4.393 . 0 0 "[ . 1 . 2]" 1
190 1 16 ASP H 1 16 ASP HB2 . . 3.600 2.541 2.470 2.596 . 0 0 "[ . 1 . 2]" 1
191 1 16 ASP H 1 16 ASP QB . . 3.100 2.279 2.251 2.305 . 0 0 "[ . 1 . 2]" 1
192 1 16 ASP H 1 16 ASP HB3 . . 3.600 2.580 2.521 2.720 . 0 0 "[ . 1 . 2]" 1
193 1 16 ASP H 1 17 LEU QB . . 4.800 4.591 4.388 4.723 . 0 0 "[ . 1 . 2]" 1
194 1 16 ASP H 1 18 GLU HG2 . . 4.400 4.193 4.079 4.295 . 0 0 "[ . 1 . 2]" 1
195 1 16 ASP H 1 18 GLU HG3 . . 5.500 5.403 5.320 5.506 0.006 3 0 "[ . 1 . 2]" 1
196 1 16 ASP H 1 19 ALA MB . . 5.100 4.795 4.654 5.028 . 0 0 "[ . 1 . 2]" 1
197 1 16 ASP H 1 74 GLY HA3 . . 5.300 4.381 4.090 4.593 . 0 0 "[ . 1 . 2]" 1
198 1 16 ASP HA 1 19 ALA H . . 4.300 3.513 3.157 3.670 . 0 0 "[ . 1 . 2]" 1
199 1 16 ASP HA 1 19 ALA MB . . 3.700 2.691 2.403 2.973 . 0 0 "[ . 1 . 2]" 1
200 1 16 ASP HA 1 20 VAL H . . 5.000 4.367 4.171 4.847 . 0 0 "[ . 1 . 2]" 1
201 1 16 ASP HA 1 74 GLY H . . 5.500 5.375 4.824 5.529 0.029 13 0 "[ . 1 . 2]" 1
202 1 16 ASP HA 1 74 GLY HA2 . . 4.100 2.903 2.534 3.154 . 0 0 "[ . 1 . 2]" 1
203 1 16 ASP HA 1 74 GLY HA3 . . 3.400 3.077 2.454 3.320 . 0 0 "[ . 1 . 2]" 1
204 1 16 ASP HA 1 75 ARG H . . 3.600 2.615 2.445 2.755 . 0 0 "[ . 1 . 2]" 1
205 1 16 ASP QB 1 17 LEU H . . 3.400 2.582 2.483 2.812 . 0 0 "[ . 1 . 2]" 1
206 1 16 ASP QB 1 17 LEU QD . . 4.800 2.400 2.244 2.812 . 0 0 "[ . 1 . 2]" 1
207 1 16 ASP HB2 1 17 LEU H . . 4.100 3.879 3.812 3.929 . 0 0 "[ . 1 . 2]" 1
208 1 16 ASP HB3 1 17 LEU H . . 4.100 2.622 2.514 2.880 . 0 0 "[ . 1 . 2]" 1
209 1 17 LEU H 1 17 LEU HB2 . . 3.500 2.419 2.269 2.546 . 0 0 "[ . 1 . 2]" 1
210 1 17 LEU H 1 17 LEU HB3 . . 3.500 3.554 3.536 3.566 0.066 8 0 "[ . 1 . 2]" 1
211 1 17 LEU H 1 17 LEU QD . . 3.600 2.137 1.846 2.734 . 0 0 "[ . 1 . 2]" 1
212 1 17 LEU H 1 18 GLU H . . 3.300 2.745 2.669 2.789 . 0 0 "[ . 1 . 2]" 1
213 1 17 LEU H 1 18 GLU HG2 . . 3.700 3.752 3.731 3.785 0.085 16 0 "[ . 1 . 2]" 1
214 1 17 LEU H 1 18 GLU HG3 . . 5.200 5.286 5.257 5.315 0.115 14 0 "[ . 1 . 2]" 1
215 1 17 LEU H 1 19 ALA MB . . 5.000 4.748 4.638 4.833 . 0 0 "[ . 1 . 2]" 1
216 1 17 LEU H 1 20 VAL H . . 4.900 4.751 4.666 4.875 . 0 0 "[ . 1 . 2]" 1
217 1 17 LEU H 1 20 VAL HB . . 5.500 5.359 5.187 5.521 0.021 3 0 "[ . 1 . 2]" 1
218 1 17 LEU H 1 20 VAL MG2 . . 5.400 4.845 4.747 4.921 . 0 0 "[ . 1 . 2]" 1
219 1 17 LEU HA 1 17 LEU MD1 . . 3.500 2.663 2.120 3.554 0.054 4 0 "[ . 1 . 2]" 1
220 1 17 LEU HA 1 17 LEU MD2 . . 3.500 3.006 2.122 3.522 0.022 19 0 "[ . 1 . 2]" 1
221 1 17 LEU HA 1 19 ALA H . . 5.200 4.255 4.049 4.375 . 0 0 "[ . 1 . 2]" 1
222 1 17 LEU HA 1 20 VAL H . . 3.600 3.311 3.134 3.382 . 0 0 "[ . 1 . 2]" 1
223 1 17 LEU HA 1 20 VAL HA . . 5.500 5.458 5.321 5.513 0.013 4 0 "[ . 1 . 2]" 1
224 1 17 LEU HA 1 20 VAL HB . . 3.600 2.773 2.647 2.858 . 0 0 "[ . 1 . 2]" 1
225 1 17 LEU HA 1 20 VAL MG1 . . 4.600 4.183 4.059 4.279 . 0 0 "[ . 1 . 2]" 1
226 1 17 LEU HA 1 20 VAL MG2 . . 3.800 3.246 2.997 3.376 . 0 0 "[ . 1 . 2]" 1
227 1 17 LEU HA 1 21 ARG H . . 5.000 4.072 3.919 4.179 . 0 0 "[ . 1 . 2]" 1
228 1 17 LEU QB 1 17 LEU QD . . 2.900 2.022 1.917 2.097 . 0 0 "[ . 1 . 2]" 1
229 1 17 LEU QB 1 18 GLU H . . 3.300 2.551 2.456 2.746 . 0 0 "[ . 1 . 2]" 1
230 1 17 LEU QB 1 19 ALA H . . 5.000 4.688 4.629 4.764 . 0 0 "[ . 1 . 2]" 1
231 1 17 LEU QB 1 20 VAL H . . 5.300 4.815 4.689 4.902 . 0 0 "[ . 1 . 2]" 1
232 1 17 LEU HB2 1 18 GLU H . . 3.800 2.632 2.525 2.886 . 0 0 "[ . 1 . 2]" 1
233 1 17 LEU HB3 1 18 GLU H . . 3.800 3.447 3.352 3.602 . 0 0 "[ . 1 . 2]" 1
234 1 17 LEU QD 1 18 GLU H . . 4.200 3.863 3.734 4.082 . 0 0 "[ . 1 . 2]" 1
235 1 18 GLU H 1 18 GLU HB2 . . 3.900 3.642 3.598 3.676 . 0 0 "[ . 1 . 2]" 1
236 1 18 GLU H 1 18 GLU QB . . 3.400 2.650 2.588 2.728 . 0 0 "[ . 1 . 2]" 1
237 1 18 GLU H 1 18 GLU HB3 . . 3.900 2.722 2.648 2.816 . 0 0 "[ . 1 . 2]" 1
238 1 18 GLU H 1 18 GLU HG2 . . 3.200 1.872 1.820 1.914 . 0 0 "[ . 1 . 2]" 1
239 1 18 GLU H 1 18 GLU HG3 . . 3.700 3.287 3.158 3.349 . 0 0 "[ . 1 . 2]" 1
240 1 18 GLU H 1 19 ALA MB . . 4.600 4.435 4.350 4.501 . 0 0 "[ . 1 . 2]" 1
241 1 18 GLU H 1 20 VAL H . . 4.400 4.225 4.180 4.318 . 0 0 "[ . 1 . 2]" 1
242 1 18 GLU HA 1 21 ARG H . . 3.800 3.183 2.982 3.504 . 0 0 "[ . 1 . 2]" 1
243 1 18 GLU HA 1 21 ARG HE . . 5.500 4.895 3.819 5.506 0.006 20 0 "[ . 1 . 2]" 1
244 1 18 GLU HA 1 22 LEU H . . 5.100 3.923 3.786 4.097 . 0 0 "[ . 1 . 2]" 1
245 1 18 GLU QB 1 19 ALA H . . 3.700 3.652 3.590 3.719 0.019 15 0 "[ . 1 . 2]" 1
246 1 18 GLU QB 1 48 ALA MB . . 4.000 3.691 3.381 3.937 . 0 0 "[ . 1 . 2]" 1
247 1 18 GLU QB 1 86 VAL QG . . 4.200 3.291 3.003 3.438 . 0 0 "[ . 1 . 2]" 1
248 1 18 GLU HB2 1 48 ALA MB . . 4.800 3.848 3.494 4.160 . 0 0 "[ . 1 . 2]" 1
249 1 18 GLU HB3 1 48 ALA MB . . 4.800 4.759 4.326 4.867 0.067 6 0 "[ . 1 . 2]" 1
250 1 18 GLU HG2 1 19 ALA H . . 3.700 2.769 2.691 2.842 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLU HG2 1 19 ALA MB . . 4.100 4.115 4.095 4.138 0.038 10 0 "[ . 1 . 2]" 1
252 1 18 GLU HG2 1 20 VAL H . . 5.200 5.137 5.089 5.171 . 0 0 "[ . 1 . 2]" 1
253 1 18 GLU HG2 1 86 VAL QG . . 4.200 3.560 3.175 3.810 . 0 0 "[ . 1 . 2]" 1
254 1 18 GLU HG3 1 19 ALA H . . 4.800 2.837 2.652 3.062 . 0 0 "[ . 1 . 2]" 1
255 1 18 GLU HG3 1 19 ALA MB . . 3.900 3.654 3.494 3.819 . 0 0 "[ . 1 . 2]" 1
256 1 18 GLU HG3 1 48 ALA MB . . 5.500 3.527 2.897 3.895 . 0 0 "[ . 1 . 2]" 1
257 1 18 GLU HG3 1 86 VAL HB . . 4.000 3.690 3.141 3.987 . 0 0 "[ . 1 . 2]" 1
258 1 19 ALA H 1 19 ALA MB . . 2.900 2.199 2.161 2.220 . 0 0 "[ . 1 . 2]" 1
259 1 19 ALA H 1 20 VAL HB . . 5.100 4.863 4.779 4.952 . 0 0 "[ . 1 . 2]" 1
260 1 19 ALA H 1 20 VAL MG2 . . 5.500 4.372 4.250 4.482 . 0 0 "[ . 1 . 2]" 1
261 1 19 ALA H 1 21 ARG H . . 4.200 4.209 4.106 4.271 0.071 5 0 "[ . 1 . 2]" 1
262 1 19 ALA H 1 74 GLY HA3 . . 4.900 4.163 4.023 4.387 . 0 0 "[ . 1 . 2]" 1
263 1 19 ALA H 1 75 ARG H . . 4.800 4.852 4.787 4.887 0.087 10 0 "[ . 1 . 2]" 1
264 1 19 ALA H 1 86 VAL HB . . 4.800 4.389 4.120 4.764 . 0 0 "[ . 1 . 2]" 1
265 1 19 ALA H 1 86 VAL QG . . 3.400 3.168 2.972 3.367 . 0 0 "[ . 1 . 2]" 1
266 1 19 ALA HA 1 20 VAL HA . . 4.900 4.830 4.810 4.855 . 0 0 "[ . 1 . 2]" 1
267 1 19 ALA HA 1 21 ARG H . . 4.900 4.615 4.535 4.701 . 0 0 "[ . 1 . 2]" 1
268 1 19 ALA HA 1 22 LEU H . . 4.100 3.364 3.267 3.424 . 0 0 "[ . 1 . 2]" 1
269 1 19 ALA HA 1 22 LEU HB2 . . 4.400 2.728 2.420 2.868 . 0 0 "[ . 1 . 2]" 1
270 1 19 ALA HA 1 22 LEU HB3 . . 5.300 4.291 3.933 4.466 . 0 0 "[ . 1 . 2]" 1
271 1 19 ALA HA 1 22 LEU QD . . 5.400 3.367 3.175 3.459 . 0 0 "[ . 1 . 2]" 1
272 1 19 ALA HA 1 75 ARG H . . 5.500 5.507 5.446 5.531 0.031 15 0 "[ . 1 . 2]" 1
273 1 19 ALA HA 1 76 ALA MB . . 4.100 3.863 3.753 4.070 . 0 0 "[ . 1 . 2]" 1
274 1 19 ALA HA 1 84 VAL HB . . 5.000 4.573 4.316 4.925 . 0 0 "[ . 1 . 2]" 1
275 1 19 ALA HA 1 84 VAL MG1 . . 4.000 2.874 2.589 3.568 . 0 0 "[ . 1 . 2]" 1
276 1 19 ALA HA 1 86 VAL QG . . 3.500 2.300 2.073 3.154 . 0 0 "[ . 1 . 2]" 1
277 1 19 ALA MB 1 20 VAL H . . 3.100 2.671 2.581 2.733 . 0 0 "[ . 1 . 2]" 1
278 1 19 ALA MB 1 74 GLY H . . 4.400 4.172 3.994 4.338 . 0 0 "[ . 1 . 2]" 1
279 1 19 ALA MB 1 74 GLY HA2 . . 4.500 3.576 3.477 3.723 . 0 0 "[ . 1 . 2]" 1
280 1 19 ALA MB 1 74 GLY HA3 . . 3.900 2.609 2.449 2.779 . 0 0 "[ . 1 . 2]" 1
281 1 19 ALA MB 1 75 ARG H . . 3.200 2.596 2.515 2.653 . 0 0 "[ . 1 . 2]" 1
282 1 19 ALA MB 1 75 ARG HA . . 3.700 2.790 2.667 2.979 . 0 0 "[ . 1 . 2]" 1
283 1 19 ALA MB 1 75 ARG QB . . 4.800 4.078 4.002 4.186 . 0 0 "[ . 1 . 2]" 1
284 1 19 ALA MB 1 84 VAL HB . . 4.100 3.823 3.523 4.105 0.005 15 0 "[ . 1 . 2]" 1
285 1 19 ALA MB 1 85 LEU HA . . 5.100 3.448 3.267 3.606 . 0 0 "[ . 1 . 2]" 1
286 1 19 ALA MB 1 86 VAL H . . 4.200 3.480 3.313 3.741 . 0 0 "[ . 1 . 2]" 1
287 1 19 ALA MB 1 86 VAL HB . . 4.200 2.798 2.315 3.296 . 0 0 "[ . 1 . 2]" 1
288 1 19 ALA MB 1 86 VAL QG . . 3.200 2.188 2.079 2.317 . 0 0 "[ . 1 . 2]" 1
289 1 20 VAL H 1 20 VAL HB . . 3.000 2.458 2.429 2.517 . 0 0 "[ . 1 . 2]" 1
290 1 20 VAL H 1 20 VAL MG1 . . 3.900 3.819 3.804 3.838 . 0 0 "[ . 1 . 2]" 1
291 1 20 VAL H 1 20 VAL MG2 . . 3.000 2.326 2.261 2.389 . 0 0 "[ . 1 . 2]" 1
292 1 20 VAL H 1 21 ARG H . . 3.200 2.719 2.590 2.835 . 0 0 "[ . 1 . 2]" 1
293 1 20 VAL H 1 21 ARG QB . . 4.500 4.392 4.282 4.533 0.033 17 0 "[ . 1 . 2]" 1
294 1 20 VAL H 1 22 LEU H . . 4.800 4.227 4.185 4.284 . 0 0 "[ . 1 . 2]" 1
295 1 20 VAL H 1 76 ALA MB . . 4.000 3.140 3.084 3.224 . 0 0 "[ . 1 . 2]" 1
296 1 20 VAL H 1 86 VAL QG . . 5.000 4.779 4.666 4.955 . 0 0 "[ . 1 . 2]" 1
297 1 20 VAL HA 1 20 VAL MG1 . . 3.500 2.475 2.439 2.507 . 0 0 "[ . 1 . 2]" 1
298 1 20 VAL HA 1 20 VAL MG2 . . 3.200 2.352 2.323 2.378 . 0 0 "[ . 1 . 2]" 1
299 1 20 VAL HA 1 23 ALA H . . 3.900 3.106 3.034 3.158 . 0 0 "[ . 1 . 2]" 1
300 1 20 VAL HA 1 23 ALA MB . . 3.600 2.358 2.242 2.631 . 0 0 "[ . 1 . 2]" 1
301 1 20 VAL HA 1 24 SER H . . 5.500 4.104 3.955 4.496 . 0 0 "[ . 1 . 2]" 1
302 1 20 VAL HA 1 76 ALA MB . . 3.100 2.203 2.096 2.296 . 0 0 "[ . 1 . 2]" 1
303 1 20 VAL HA 1 77 THR H . . 5.000 4.672 4.359 4.970 . 0 0 "[ . 1 . 2]" 1
304 1 20 VAL HB 1 21 ARG H . . 3.300 2.723 2.591 2.812 . 0 0 "[ . 1 . 2]" 1
305 1 20 VAL HB 1 23 ALA H . . 5.500 5.497 5.442 5.517 0.017 8 0 "[ . 1 . 2]" 1
306 1 20 VAL MG1 1 21 ARG H . . 3.800 3.394 3.249 3.511 . 0 0 "[ . 1 . 2]" 1
307 1 20 VAL MG1 1 22 LEU H . . 5.500 5.239 5.099 5.334 . 0 0 "[ . 1 . 2]" 1
308 1 20 VAL MG1 1 23 ALA H . . 5.500 4.618 4.556 4.672 . 0 0 "[ . 1 . 2]" 1
309 1 20 VAL MG1 1 24 SER H . . 5.300 4.143 4.038 4.403 . 0 0 "[ . 1 . 2]" 1
310 1 20 VAL MG1 1 24 SER QB . . 5.100 4.609 4.511 4.959 . 0 0 "[ . 1 . 2]" 1
311 1 20 VAL MG2 1 21 ARG H . . 4.200 4.021 3.974 4.086 . 0 0 "[ . 1 . 2]" 1
312 1 20 VAL MG2 1 76 ALA HA . . 5.000 3.373 3.221 3.491 . 0 0 "[ . 1 . 2]" 1
313 1 21 ARG H 1 21 ARG QB . . 2.900 2.242 2.186 2.382 . 0 0 "[ . 1 . 2]" 1
314 1 21 ARG H 1 21 ARG QD . . 4.800 4.531 3.925 4.820 0.020 9 0 "[ . 1 . 2]" 1
315 1 21 ARG H 1 21 ARG QG . . 4.000 3.907 2.540 4.080 0.080 16 0 "[ . 1 . 2]" 1
316 1 21 ARG H 1 22 LEU H . . 3.500 2.990 2.933 3.031 . 0 0 "[ . 1 . 2]" 1
317 1 21 ARG HA 1 21 ARG HD2 . . 5.000 3.612 2.079 4.022 . 0 0 "[ . 1 . 2]" 1
318 1 21 ARG HA 1 21 ARG QD . . 4.300 2.424 2.067 3.799 . 0 0 "[ . 1 . 2]" 1
319 1 21 ARG HA 1 21 ARG HD3 . . 5.000 2.733 2.214 4.670 . 0 0 "[ . 1 . 2]" 1
320 1 21 ARG HA 1 23 ALA MB . . 5.200 4.878 4.651 4.978 . 0 0 "[ . 1 . 2]" 1
321 1 21 ARG QB 1 21 ARG HE . . 4.200 2.403 2.244 2.942 . 0 0 "[ . 1 . 2]" 1
322 1 21 ARG QB 1 22 LEU H . . 3.300 2.623 2.528 2.795 . 0 0 "[ . 1 . 2]" 1
323 1 21 ARG QB 1 23 ALA H . . 5.000 4.886 4.830 4.932 . 0 0 "[ . 1 . 2]" 1
324 1 21 ARG QD 1 24 SER H . . 5.300 4.789 4.510 5.387 0.087 5 0 "[ . 1 . 2]" 1
325 1 21 ARG QD 1 25 ILE H . . 5.300 4.259 3.939 5.355 0.055 17 0 "[ . 1 . 2]" 1
326 1 21 ARG QD 1 25 ILE MD . . 4.100 2.415 2.091 3.861 . 0 0 "[ . 1 . 2]" 1
327 1 21 ARG HE 1 25 ILE MD . . 5.500 4.537 3.449 4.881 . 0 0 "[ . 1 . 2]" 1
328 1 22 LEU H 1 22 LEU HB2 . . 3.200 2.327 2.291 2.359 . 0 0 "[ . 1 . 2]" 1
329 1 22 LEU H 1 22 LEU HB3 . . 3.800 3.573 3.545 3.594 . 0 0 "[ . 1 . 2]" 1
330 1 22 LEU H 1 22 LEU QD . . 3.800 2.487 2.394 2.612 . 0 0 "[ . 1 . 2]" 1
331 1 22 LEU H 1 22 LEU HG . . 4.300 3.953 3.870 4.042 . 0 0 "[ . 1 . 2]" 1
332 1 22 LEU H 1 23 ALA H . . 4.000 2.817 2.788 2.842 . 0 0 "[ . 1 . 2]" 1
333 1 22 LEU H 1 23 ALA MB . . 4.400 4.441 4.432 4.453 0.053 16 0 "[ . 1 . 2]" 1
334 1 22 LEU H 1 24 SER H . . 5.000 4.181 4.113 4.254 . 0 0 "[ . 1 . 2]" 1
335 1 22 LEU H 1 25 ILE MD . . 4.900 4.918 4.907 4.943 0.043 5 0 "[ . 1 . 2]" 1
336 1 22 LEU H 1 26 VAL MG2 . . 5.500 5.534 5.515 5.555 0.055 14 0 "[ . 1 . 2]" 1
337 1 22 LEU H 1 84 VAL MG1 . . 4.600 3.997 3.814 4.318 . 0 0 "[ . 1 . 2]" 1
338 1 22 LEU HA 1 22 LEU MD1 . . 4.100 2.735 2.655 2.804 . 0 0 "[ . 1 . 2]" 1
339 1 22 LEU HA 1 22 LEU QD . . 3.200 2.649 2.585 2.702 . 0 0 "[ . 1 . 2]" 1
340 1 22 LEU HA 1 22 LEU MD2 . . 4.100 3.549 3.526 3.580 . 0 0 "[ . 1 . 2]" 1
341 1 22 LEU HA 1 22 LEU HG . . 4.200 2.168 2.145 2.193 . 0 0 "[ . 1 . 2]" 1
342 1 22 LEU HA 1 25 ILE H . . 3.600 2.572 2.531 2.602 . 0 0 "[ . 1 . 2]" 1
343 1 22 LEU HA 1 25 ILE HB . . 3.600 2.810 2.572 2.920 . 0 0 "[ . 1 . 2]" 1
344 1 22 LEU HA 1 25 ILE MD . . 4.700 3.710 3.640 3.749 . 0 0 "[ . 1 . 2]" 1
345 1 22 LEU HA 1 25 ILE QG . . 4.400 2.012 1.971 2.047 . 0 0 "[ . 1 . 2]" 1
346 1 22 LEU HA 1 25 ILE MG . . 4.500 4.266 4.076 4.348 . 0 0 "[ . 1 . 2]" 1
347 1 22 LEU HA 1 26 VAL H . . 4.000 3.479 3.411 3.588 . 0 0 "[ . 1 . 2]" 1
348 1 22 LEU HA 1 26 VAL MG2 . . 4.600 3.652 3.601 3.757 . 0 0 "[ . 1 . 2]" 1
349 1 22 LEU HA 1 41 LEU QD . . 4.100 4.103 3.923 4.141 0.041 3 0 "[ . 1 . 2]" 1
350 1 22 LEU HA 1 84 VAL MG1 . . 5.400 4.255 4.114 4.398 . 0 0 "[ . 1 . 2]" 1
351 1 22 LEU HB2 1 23 ALA H . . 3.800 3.232 3.186 3.276 . 0 0 "[ . 1 . 2]" 1
352 1 22 LEU HB2 1 84 VAL MG1 . . 4.200 2.460 2.306 2.814 . 0 0 "[ . 1 . 2]" 1
353 1 22 LEU HB3 1 23 ALA H . . 3.800 3.563 3.470 3.671 . 0 0 "[ . 1 . 2]" 1
354 1 22 LEU HB3 1 24 SER H . . 5.400 5.428 5.408 5.451 0.051 11 0 "[ . 1 . 2]" 1
355 1 22 LEU HB3 1 25 ILE H . . 5.500 4.768 4.736 4.815 . 0 0 "[ . 1 . 2]" 1
356 1 22 LEU HB3 1 26 VAL H . . 5.500 4.344 4.306 4.396 . 0 0 "[ . 1 . 2]" 1
357 1 22 LEU HB3 1 26 VAL MG2 . . 3.000 3.001 2.990 3.020 0.020 19 0 "[ . 1 . 2]" 1
358 1 22 LEU HB3 1 84 VAL MG1 . . 3.400 2.320 2.208 2.467 . 0 0 "[ . 1 . 2]" 1
359 1 22 LEU QD 1 23 ALA H . . 5.000 4.235 4.212 4.270 . 0 0 "[ . 1 . 2]" 1
360 1 22 LEU QD 1 25 ILE H . . 4.400 4.441 4.432 4.452 0.052 9 0 "[ . 1 . 2]" 1
361 1 22 LEU QD 1 25 ILE QG . . 4.200 2.971 2.878 3.027 . 0 0 "[ . 1 . 2]" 1
362 1 22 LEU QD 1 25 ILE MG . . 4.500 4.324 4.063 4.458 . 0 0 "[ . 1 . 2]" 1
363 1 22 LEU QD 1 26 VAL MG2 . . 4.600 3.470 3.273 3.581 . 0 0 "[ . 1 . 2]" 1
364 1 22 LEU QD 1 44 GLN H . . 4.700 4.210 3.810 4.499 . 0 0 "[ . 1 . 2]" 1
365 1 22 LEU QD 1 45 ILE H . . 3.800 3.522 2.665 3.777 . 0 0 "[ . 1 . 2]" 1
366 1 22 LEU MD1 1 25 ILE H . . 5.500 4.663 4.654 4.679 . 0 0 "[ . 1 . 2]" 1
367 1 22 LEU MD2 1 25 ILE H . . 5.500 5.580 5.569 5.598 0.098 20 0 "[ . 1 . 2]" 1
368 1 22 LEU HG 1 23 ALA H . . 5.400 5.218 5.183 5.245 . 0 0 "[ . 1 . 2]" 1
369 1 22 LEU HG 1 25 ILE MG . . 5.500 4.287 3.982 4.437 . 0 0 "[ . 1 . 2]" 1
370 1 22 LEU HG 1 26 VAL H . . 4.900 4.826 4.666 4.877 . 0 0 "[ . 1 . 2]" 1
371 1 22 LEU HG 1 26 VAL MG2 . . 4.700 3.970 3.715 4.124 . 0 0 "[ . 1 . 2]" 1
372 1 22 LEU HG 1 41 LEU QD . . 3.800 3.033 2.721 3.241 . 0 0 "[ . 1 . 2]" 1
373 1 22 LEU HG 1 84 VAL MG1 . . 4.800 4.464 4.346 4.557 . 0 0 "[ . 1 . 2]" 1
374 1 23 ALA H 1 23 ALA HA . . 2.800 2.850 2.844 2.855 0.055 3 0 "[ . 1 . 2]" 1
375 1 23 ALA H 1 23 ALA MB . . 2.900 2.207 2.172 2.231 . 0 0 "[ . 1 . 2]" 1
376 1 23 ALA H 1 24 SER H . . 3.300 2.808 2.762 2.886 . 0 0 "[ . 1 . 2]" 1
377 1 23 ALA H 1 24 SER HA . . 5.500 5.430 5.395 5.482 . 0 0 "[ . 1 . 2]" 1
378 1 23 ALA H 1 25 ILE H . . 4.300 4.293 4.249 4.310 0.010 20 0 "[ . 1 . 2]" 1
379 1 23 ALA H 1 26 VAL HB . . 5.500 5.045 4.895 5.116 . 0 0 "[ . 1 . 2]" 1
380 1 23 ALA H 1 26 VAL MG2 . . 5.500 4.521 4.451 4.574 . 0 0 "[ . 1 . 2]" 1
381 1 23 ALA H 1 84 VAL HB . . 5.400 3.756 3.541 4.015 . 0 0 "[ . 1 . 2]" 1
382 1 23 ALA H 1 84 VAL MG1 . . 4.200 3.039 2.921 3.177 . 0 0 "[ . 1 . 2]" 1
383 1 23 ALA H 1 84 VAL MG2 . . 3.900 3.292 3.083 3.758 . 0 0 "[ . 1 . 2]" 1
384 1 23 ALA HA 1 26 VAL H . . 4.100 3.598 3.502 3.687 . 0 0 "[ . 1 . 2]" 1
385 1 23 ALA HA 1 26 VAL HB . . 3.600 2.651 2.492 2.741 . 0 0 "[ . 1 . 2]" 1
386 1 23 ALA HA 1 26 VAL MG2 . . 4.300 3.278 3.103 3.352 . 0 0 "[ . 1 . 2]" 1
387 1 23 ALA HA 1 27 ASP H . . 4.500 3.825 3.749 3.957 . 0 0 "[ . 1 . 2]" 1
388 1 23 ALA HA 1 84 VAL MG2 . . 3.400 2.086 2.016 2.197 . 0 0 "[ . 1 . 2]" 1
389 1 23 ALA MB 1 24 SER H . . 3.300 2.625 2.507 2.746 . 0 0 "[ . 1 . 2]" 1
390 1 23 ALA MB 1 24 SER HA . . 4.900 4.143 4.054 4.204 . 0 0 "[ . 1 . 2]" 1
391 1 23 ALA MB 1 24 SER QB . . 4.900 4.565 4.493 4.600 . 0 0 "[ . 1 . 2]" 1
392 1 23 ALA MB 1 26 VAL H . . 5.500 4.793 4.678 4.861 . 0 0 "[ . 1 . 2]" 1
393 1 23 ALA MB 1 26 VAL HB . . 4.900 4.206 4.049 4.302 . 0 0 "[ . 1 . 2]" 1
394 1 23 ALA MB 1 27 ASP H . . 5.500 4.551 4.495 4.677 . 0 0 "[ . 1 . 2]" 1
395 1 23 ALA MB 1 77 THR HA . . 4.200 3.995 3.614 4.194 . 0 0 "[ . 1 . 2]" 1
396 1 23 ALA MB 1 78 GLY H . . 3.600 3.468 2.886 3.637 0.037 9 0 "[ . 1 . 2]" 1
397 1 23 ALA MB 1 78 GLY HA2 . . 3.700 2.325 2.183 2.606 . 0 0 "[ . 1 . 2]" 1
398 1 23 ALA MB 1 78 GLY HA3 . . 3.700 2.967 2.759 3.232 . 0 0 "[ . 1 . 2]" 1
399 1 23 ALA MB 1 79 GLU H . . 4.900 4.274 3.996 4.532 . 0 0 "[ . 1 . 2]" 1
400 1 23 ALA MB 1 84 VAL HB . . 4.700 2.689 2.520 2.944 . 0 0 "[ . 1 . 2]" 1
401 1 23 ALA MB 1 84 VAL MG2 . . 3.300 2.720 2.465 2.865 . 0 0 "[ . 1 . 2]" 1
402 1 24 SER H 1 24 SER QB . . 2.900 2.644 2.538 2.726 . 0 0 "[ . 1 . 2]" 1
403 1 24 SER H 1 25 ILE H . . 3.900 2.925 2.825 3.009 . 0 0 "[ . 1 . 2]" 1
404 1 24 SER H 1 25 ILE MD . . 5.000 4.533 4.415 4.743 . 0 0 "[ . 1 . 2]" 1
405 1 24 SER H 1 25 ILE QG . . 4.800 4.493 4.319 4.609 . 0 0 "[ . 1 . 2]" 1
406 1 24 SER H 1 26 VAL H . . 4.200 4.232 4.203 4.246 0.046 17 0 "[ . 1 . 2]" 1
407 1 24 SER H 1 26 VAL MG2 . . 5.500 5.249 5.217 5.305 . 0 0 "[ . 1 . 2]" 1
408 1 24 SER H 1 27 ASP QB . . 5.300 4.777 4.611 5.102 . 0 0 "[ . 1 . 2]" 1
409 1 24 SER H 1 78 GLY HA2 . . 5.500 5.299 5.192 5.460 . 0 0 "[ . 1 . 2]" 1
410 1 24 SER HA 1 26 VAL H . . 5.000 4.424 4.348 4.504 . 0 0 "[ . 1 . 2]" 1
411 1 24 SER HA 1 27 ASP H . . 4.800 3.444 3.328 3.582 . 0 0 "[ . 1 . 2]" 1
412 1 24 SER HA 1 27 ASP QB . . 3.400 2.492 2.321 2.756 . 0 0 "[ . 1 . 2]" 1
413 1 24 SER HA 1 79 GLU H . . 5.500 5.051 4.794 5.382 . 0 0 "[ . 1 . 2]" 1
414 1 24 SER QB 1 25 ILE H . . 3.800 2.774 2.693 2.826 . 0 0 "[ . 1 . 2]" 1
415 1 24 SER QB 1 25 ILE MD . . 5.200 2.788 2.596 3.029 . 0 0 "[ . 1 . 2]" 1
416 1 24 SER QB 1 25 ILE QG . . 5.100 3.839 3.780 3.902 . 0 0 "[ . 1 . 2]" 1
417 1 24 SER QB 1 25 ILE MG . . 5.500 5.005 4.922 5.134 . 0 0 "[ . 1 . 2]" 1
418 1 24 SER QB 1 27 ASP H . . 5.500 5.027 4.944 5.105 . 0 0 "[ . 1 . 2]" 1
419 1 25 ILE H 1 25 ILE HB . . 3.100 2.916 2.794 2.990 . 0 0 "[ . 1 . 2]" 1
420 1 25 ILE H 1 25 ILE MD . . 3.900 2.587 2.493 2.694 . 0 0 "[ . 1 . 2]" 1
421 1 25 ILE H 1 25 ILE HG12 . . 3.600 2.195 2.151 2.245 . 0 0 "[ . 1 . 2]" 1
422 1 25 ILE H 1 25 ILE QG . . 3.100 2.179 2.137 2.227 . 0 0 "[ . 1 . 2]" 1
423 1 25 ILE H 1 25 ILE HG13 . . 3.600 3.676 3.658 3.694 0.094 14 0 "[ . 1 . 2]" 1
424 1 25 ILE H 1 25 ILE MG . . 4.100 3.823 3.809 3.846 . 0 0 "[ . 1 . 2]" 1
425 1 25 ILE H 1 26 VAL H . . 3.300 2.665 2.609 2.720 . 0 0 "[ . 1 . 2]" 1
426 1 25 ILE H 1 26 VAL HA . . 5.500 5.368 5.333 5.415 . 0 0 "[ . 1 . 2]" 1
427 1 25 ILE H 1 26 VAL HB . . 4.800 4.764 4.638 4.794 . 0 0 "[ . 1 . 2]" 1
428 1 25 ILE H 1 26 VAL MG2 . . 4.500 4.242 4.147 4.320 . 0 0 "[ . 1 . 2]" 1
429 1 25 ILE H 1 27 ASP QB . . 5.300 4.972 4.827 5.229 . 0 0 "[ . 1 . 2]" 1
430 1 25 ILE H 1 41 LEU QD . . 5.400 5.255 5.066 5.380 . 0 0 "[ . 1 . 2]" 1
431 1 25 ILE HA 1 25 ILE MD . . 4.400 2.503 2.428 2.566 . 0 0 "[ . 1 . 2]" 1
432 1 25 ILE HA 1 25 ILE HG12 . . 3.800 3.547 3.493 3.581 . 0 0 "[ . 1 . 2]" 1
433 1 25 ILE HA 1 25 ILE HG13 . . 3.800 3.847 3.821 3.859 0.059 11 0 "[ . 1 . 2]" 1
434 1 25 ILE HA 1 25 ILE MG . . 3.500 2.184 2.131 2.237 . 0 0 "[ . 1 . 2]" 1
435 1 25 ILE HA 1 28 SER H . . 4.600 3.352 3.233 3.456 . 0 0 "[ . 1 . 2]" 1
436 1 25 ILE HB 1 25 ILE MD . . 3.600 3.304 3.295 3.311 . 0 0 "[ . 1 . 2]" 1
437 1 25 ILE HB 1 26 VAL H . . 3.900 2.914 2.759 3.038 . 0 0 "[ . 1 . 2]" 1
438 1 25 ILE HB 1 26 VAL MG2 . . 5.500 3.407 3.225 3.666 . 0 0 "[ . 1 . 2]" 1
439 1 25 ILE HB 1 28 SER H . . 5.500 5.515 5.435 5.562 0.062 14 0 "[ . 1 . 2]" 1
440 1 25 ILE HB 1 41 LEU QD . . 4.200 3.374 3.131 3.621 . 0 0 "[ . 1 . 2]" 1
441 1 25 ILE MD 1 28 SER H . . 5.500 5.088 4.964 5.220 . 0 0 "[ . 1 . 2]" 1
442 1 25 ILE MD 1 44 GLN HA . . 5.300 5.064 4.903 5.239 . 0 0 "[ . 1 . 2]" 1
443 1 25 ILE MD 1 44 GLN QE . . 4.900 4.866 4.715 4.884 . 0 0 "[ . 1 . 2]" 1
444 1 25 ILE QG 1 26 VAL H . . 4.500 3.888 3.835 3.965 . 0 0 "[ . 1 . 2]" 1
445 1 25 ILE QG 1 41 LEU QD . . 5.300 4.173 3.946 4.397 . 0 0 "[ . 1 . 2]" 1
446 1 25 ILE MG 1 26 VAL H . . 4.200 3.980 3.836 4.087 . 0 0 "[ . 1 . 2]" 1
447 1 25 ILE MG 1 26 VAL HA . . 4.600 4.221 4.016 4.349 . 0 0 "[ . 1 . 2]" 1
448 1 25 ILE MG 1 28 SER H . . 4.700 4.584 4.442 4.684 . 0 0 "[ . 1 . 2]" 1
449 1 25 ILE MG 1 29 ARG H . . 4.900 4.234 4.003 4.496 . 0 0 "[ . 1 . 2]" 1
450 1 25 ILE MG 1 29 ARG QB . . 5.300 3.786 3.607 3.956 . 0 0 "[ . 1 . 2]" 1
451 1 25 ILE MG 1 40 PHE QR . . 3.400 2.218 2.110 2.425 . 0 0 "[ . 1 . 2]" 1
452 1 25 ILE MG 1 44 GLN H . . 5.500 5.479 5.237 5.530 0.030 8 0 "[ . 1 . 2]" 1
453 1 25 ILE MG 1 44 GLN QB . . 4.200 2.963 2.268 3.465 . 0 0 "[ . 1 . 2]" 1
454 1 25 ILE MG 1 44 GLN HE21 . . 4.300 3.514 3.006 4.082 . 0 0 "[ . 1 . 2]" 1
455 1 25 ILE MG 1 44 GLN QE . . 3.800 3.111 2.825 3.596 . 0 0 "[ . 1 . 2]" 1
456 1 25 ILE MG 1 44 GLN HE22 . . 4.300 3.508 3.152 4.314 0.014 7 0 "[ . 1 . 2]" 1
457 1 25 ILE MG 1 44 GLN HG2 . . 4.200 3.542 2.274 3.659 . 0 0 "[ . 1 . 2]" 1
458 1 25 ILE MG 1 44 GLN QG . . 3.600 2.227 1.948 2.386 . 0 0 "[ . 1 . 2]" 1
459 1 25 ILE MG 1 44 GLN HG3 . . 4.200 2.257 2.117 2.419 . 0 0 "[ . 1 . 2]" 1
460 1 26 VAL H 1 26 VAL HB . . 3.100 2.401 2.325 2.453 . 0 0 "[ . 1 . 2]" 1
461 1 26 VAL H 1 26 VAL MG1 . . 3.800 3.764 3.734 3.784 . 0 0 "[ . 1 . 2]" 1
462 1 26 VAL H 1 26 VAL MG2 . . 2.900 2.294 2.262 2.347 . 0 0 "[ . 1 . 2]" 1
463 1 26 VAL H 1 27 ASP QB . . 4.900 4.486 4.334 4.806 . 0 0 "[ . 1 . 2]" 1
464 1 26 VAL H 1 28 SER H . . 5.200 4.106 4.027 4.229 . 0 0 "[ . 1 . 2]" 1
465 1 26 VAL H 1 40 PHE QR . . 5.500 4.548 4.271 5.176 . 0 0 "[ . 1 . 2]" 1
466 1 26 VAL H 1 41 LEU QD . . 4.300 4.088 3.982 4.227 . 0 0 "[ . 1 . 2]" 1
467 1 26 VAL HA 1 26 VAL MG1 . . 3.500 2.446 2.414 2.528 . 0 0 "[ . 1 . 2]" 1
468 1 26 VAL HA 1 26 VAL MG2 . . 3.400 2.426 2.371 2.466 . 0 0 "[ . 1 . 2]" 1
469 1 26 VAL HA 1 28 SER H . . 5.000 4.456 4.356 4.672 . 0 0 "[ . 1 . 2]" 1
470 1 26 VAL HA 1 29 ARG H . . 3.900 3.209 3.074 3.444 . 0 0 "[ . 1 . 2]" 1
471 1 26 VAL HA 1 29 ARG HA . . 5.500 5.262 5.172 5.434 . 0 0 "[ . 1 . 2]" 1
472 1 26 VAL HA 1 29 ARG HB2 . . 4.200 3.373 3.180 3.599 . 0 0 "[ . 1 . 2]" 1
473 1 26 VAL HA 1 29 ARG QB . . 3.600 2.483 2.423 2.554 . 0 0 "[ . 1 . 2]" 1
474 1 26 VAL HA 1 29 ARG HB3 . . 4.200 2.558 2.489 2.653 . 0 0 "[ . 1 . 2]" 1
475 1 26 VAL HA 1 29 ARG HG2 . . 5.200 4.214 4.127 4.300 . 0 0 "[ . 1 . 2]" 1
476 1 26 VAL HA 1 30 LEU H . . 4.800 4.001 3.935 4.073 . 0 0 "[ . 1 . 2]" 1
477 1 26 VAL HA 1 36 VAL HA . . 5.500 5.511 5.383 5.538 0.038 8 0 "[ . 1 . 2]" 1
478 1 26 VAL HA 1 36 VAL QG . . 4.700 2.884 2.509 3.138 . 0 0 "[ . 1 . 2]" 1
479 1 26 VAL HA 1 40 PHE QR . . 4.300 3.332 2.853 3.906 . 0 0 "[ . 1 . 2]" 1
480 1 26 VAL HA 1 41 LEU QD . . 4.400 3.681 3.527 3.796 . 0 0 "[ . 1 . 2]" 1
481 1 26 VAL HB 1 27 ASP H . . 3.300 2.531 2.484 2.642 . 0 0 "[ . 1 . 2]" 1
482 1 26 VAL HB 1 27 ASP HA . . 4.700 4.584 4.523 4.648 . 0 0 "[ . 1 . 2]" 1
483 1 26 VAL HB 1 28 SER H . . 5.200 5.088 4.989 5.239 0.039 14 0 "[ . 1 . 2]" 1
484 1 26 VAL HB 1 30 LEU H . . 5.500 5.544 5.531 5.572 0.072 19 0 "[ . 1 . 2]" 1
485 1 26 VAL HB 1 53 ILE MD . . 5.200 3.913 3.697 4.194 . 0 0 "[ . 1 . 2]" 1
486 1 26 VAL MG1 1 27 ASP H . . 4.100 3.242 3.013 3.399 . 0 0 "[ . 1 . 2]" 1
487 1 26 VAL MG1 1 27 ASP HA . . 4.800 3.608 3.470 3.706 . 0 0 "[ . 1 . 2]" 1
488 1 26 VAL MG1 1 28 SER H . . 5.500 5.090 4.969 5.216 . 0 0 "[ . 1 . 2]" 1
489 1 26 VAL MG1 1 29 ARG H . . 4.600 4.472 4.308 4.582 . 0 0 "[ . 1 . 2]" 1
490 1 26 VAL MG1 1 29 ARG QB . . 3.900 3.422 3.253 3.598 . 0 0 "[ . 1 . 2]" 1
491 1 26 VAL MG1 1 30 LEU H . . 3.800 3.791 3.649 3.827 0.027 17 0 "[ . 1 . 2]" 1
492 1 26 VAL MG1 1 30 LEU HG . . 4.400 2.444 2.383 2.506 . 0 0 "[ . 1 . 2]" 1
493 1 26 VAL MG2 1 27 ASP H . . 4.100 4.004 3.973 4.051 . 0 0 "[ . 1 . 2]" 1
494 1 26 VAL MG2 1 29 ARG QB . . 5.000 4.044 3.895 4.187 . 0 0 "[ . 1 . 2]" 1
495 1 26 VAL MG2 1 40 PHE QR . . 4.400 3.766 3.320 4.347 . 0 0 "[ . 1 . 2]" 1
496 1 27 ASP H 1 27 ASP HB2 . . 3.600 2.574 2.474 2.642 . 0 0 "[ . 1 . 2]" 1
497 1 27 ASP H 1 27 ASP QB . . 3.000 2.306 2.231 2.532 . 0 0 "[ . 1 . 2]" 1
498 1 27 ASP H 1 27 ASP HB3 . . 3.600 2.749 2.410 3.615 0.015 11 0 "[ . 1 . 2]" 1
499 1 27 ASP H 1 28 SER H . . 3.400 2.974 2.805 3.076 . 0 0 "[ . 1 . 2]" 1
500 1 27 ASP HA 1 30 LEU H . . 4.400 3.116 2.975 3.225 . 0 0 "[ . 1 . 2]" 1
501 1 27 ASP HA 1 30 LEU HB2 . . 3.700 2.509 2.345 2.640 . 0 0 "[ . 1 . 2]" 1
502 1 27 ASP HA 1 30 LEU HB3 . . 4.800 4.187 4.024 4.335 . 0 0 "[ . 1 . 2]" 1
503 1 27 ASP HA 1 30 LEU MD1 . . 3.600 2.805 2.636 3.027 . 0 0 "[ . 1 . 2]" 1
504 1 27 ASP HA 1 30 LEU HG . . 4.600 3.095 2.867 3.236 . 0 0 "[ . 1 . 2]" 1
505 1 27 ASP HA 1 79 GLU QB . . 5.300 4.268 3.964 4.664 . 0 0 "[ . 1 . 2]" 1
506 1 27 ASP HA 1 80 GLU H . . 4.800 4.534 4.368 4.799 . 0 0 "[ . 1 . 2]" 1
507 1 27 ASP HA 1 80 GLU QB . . 5.300 4.676 4.504 5.061 . 0 0 "[ . 1 . 2]" 1
508 1 27 ASP HA 1 80 GLU HG2 . . 4.100 3.548 3.384 3.713 . 0 0 "[ . 1 . 2]" 1
509 1 27 ASP HA 1 80 GLU HG3 . . 5.100 4.150 3.795 4.588 . 0 0 "[ . 1 . 2]" 1
510 1 27 ASP QB 1 28 SER H . . 3.200 2.553 2.521 2.606 . 0 0 "[ . 1 . 2]" 1
511 1 27 ASP QB 1 29 ARG H . . 5.300 4.722 4.535 4.861 . 0 0 "[ . 1 . 2]" 1
512 1 27 ASP QB 1 79 GLU H . . 4.700 2.801 2.420 3.615 . 0 0 "[ . 1 . 2]" 1
513 1 27 ASP QB 1 79 GLU QB . . 4.100 2.753 2.484 3.039 . 0 0 "[ . 1 . 2]" 1
514 1 27 ASP HB2 1 31 ILE MD . . 4.700 4.561 3.810 4.738 0.038 15 0 "[ . 1 . 2]" 1
515 1 27 ASP HB2 1 79 GLU H . . 5.500 2.986 2.438 4.273 . 0 0 "[ . 1 . 2]" 1
516 1 27 ASP HB3 1 31 ILE MD . . 4.700 4.035 2.668 4.475 . 0 0 "[ . 1 . 2]" 1
517 1 27 ASP HB3 1 79 GLU H . . 5.500 4.073 3.747 4.372 . 0 0 "[ . 1 . 2]" 1
518 1 28 SER H 1 28 SER QB . . 2.900 2.551 2.254 2.640 . 0 0 "[ . 1 . 2]" 1
519 1 28 SER H 1 29 ARG H . . 3.300 2.808 2.757 2.896 . 0 0 "[ . 1 . 2]" 1
520 1 28 SER H 1 29 ARG HB2 . . 5.500 5.175 5.060 5.234 . 0 0 "[ . 1 . 2]" 1
521 1 28 SER H 1 29 ARG QB . . 4.700 4.547 4.493 4.597 . 0 0 "[ . 1 . 2]" 1
522 1 28 SER H 1 29 ARG HB3 . . 5.500 5.040 4.933 5.119 . 0 0 "[ . 1 . 2]" 1
523 1 28 SER H 1 30 LEU H . . 5.200 4.235 4.195 4.268 . 0 0 "[ . 1 . 2]" 1
524 1 28 SER H 1 30 LEU HG . . 5.500 5.518 5.478 5.535 0.035 19 0 "[ . 1 . 2]" 1
525 1 28 SER H 1 31 ILE H . . 5.100 4.857 4.825 4.889 . 0 0 "[ . 1 . 2]" 1
526 1 28 SER H 1 31 ILE MD . . 4.800 4.403 4.205 4.549 . 0 0 "[ . 1 . 2]" 1
527 1 28 SER HA 1 31 ILE H . . 4.200 3.718 3.612 3.857 . 0 0 "[ . 1 . 2]" 1
528 1 28 SER HA 1 31 ILE HB . . 4.000 2.870 2.740 2.983 . 0 0 "[ . 1 . 2]" 1
529 1 28 SER HA 1 31 ILE MD . . 3.700 2.950 2.778 3.119 . 0 0 "[ . 1 . 2]" 1
530 1 28 SER HA 1 31 ILE HG12 . . 5.500 5.407 5.284 5.511 0.011 8 0 "[ . 1 . 2]" 1
531 1 28 SER HA 1 31 ILE HG13 . . 5.200 4.348 4.211 4.514 . 0 0 "[ . 1 . 2]" 1
532 1 28 SER HA 1 31 ILE MG . . 5.000 4.113 4.050 4.209 . 0 0 "[ . 1 . 2]" 1
533 1 28 SER QB 1 29 ARG H . . 3.600 2.834 2.656 3.671 0.071 14 0 "[ . 1 . 2]" 1
534 1 29 ARG H 1 29 ARG HB2 . . 3.200 2.543 2.435 2.599 . 0 0 "[ . 1 . 2]" 1
535 1 29 ARG H 1 29 ARG HB3 . . 3.200 2.492 2.439 2.598 . 0 0 "[ . 1 . 2]" 1
536 1 29 ARG H 1 29 ARG HD2 . . 4.900 4.885 4.787 4.918 0.018 14 0 "[ . 1 . 2]" 1
537 1 29 ARG H 1 29 ARG HD3 . . 4.800 4.767 4.553 4.833 0.033 8 0 "[ . 1 . 2]" 1
538 1 29 ARG H 1 29 ARG HG2 . . 4.800 4.582 4.548 4.616 . 0 0 "[ . 1 . 2]" 1
539 1 29 ARG H 1 29 ARG HG3 . . 5.000 4.470 4.429 4.552 . 0 0 "[ . 1 . 2]" 1
540 1 29 ARG H 1 30 LEU H . . 3.300 2.627 2.489 2.749 . 0 0 "[ . 1 . 2]" 1
541 1 29 ARG H 1 30 LEU MD2 . . 5.400 5.147 4.973 5.256 . 0 0 "[ . 1 . 2]" 1
542 1 29 ARG H 1 36 VAL QG . . 5.100 4.683 4.169 4.970 . 0 0 "[ . 1 . 2]" 1
543 1 29 ARG H 1 40 PHE QR . . 4.600 3.855 3.603 4.051 . 0 0 "[ . 1 . 2]" 1
544 1 29 ARG HA 1 29 ARG HD2 . . 3.600 2.319 2.251 2.360 . 0 0 "[ . 1 . 2]" 1
545 1 29 ARG HA 1 29 ARG HD3 . . 4.000 3.018 2.878 3.184 . 0 0 "[ . 1 . 2]" 1
546 1 29 ARG HA 1 32 GLY H . . 4.400 3.001 2.904 3.327 . 0 0 "[ . 1 . 2]" 1
547 1 29 ARG QB 1 29 ARG HE . . 4.300 4.040 4.003 4.059 . 0 0 "[ . 1 . 2]" 1
548 1 29 ARG QB 1 30 LEU H . . 4.100 2.758 2.702 2.801 . 0 0 "[ . 1 . 2]" 1
549 1 29 ARG QB 1 34 GLY H . . 5.300 4.932 4.827 5.009 . 0 0 "[ . 1 . 2]" 1
550 1 29 ARG QB 1 36 VAL QG . . 3.500 2.775 2.223 3.051 . 0 0 "[ . 1 . 2]" 1
551 1 29 ARG QB 1 37 ASP H . . 5.300 5.322 5.116 5.383 0.083 9 0 "[ . 1 . 2]" 1
552 1 29 ARG HB2 1 29 ARG HE . . 4.900 4.468 4.388 4.498 . 0 0 "[ . 1 . 2]" 1
553 1 29 ARG HB2 1 30 LEU H . . 4.800 4.025 3.923 4.075 . 0 0 "[ . 1 . 2]" 1
554 1 29 ARG HB2 1 36 VAL MG1 . . 5.700 5.228 4.511 5.739 0.039 16 0 "[ . 1 . 2]" 1
555 1 29 ARG HB2 1 36 VAL MG2 . . 5.700 3.413 3.210 3.646 . 0 0 "[ . 1 . 2]" 1
556 1 29 ARG HB2 1 40 PHE QR . . 4.200 2.507 2.268 2.717 . 0 0 "[ . 1 . 2]" 1
557 1 29 ARG HB3 1 29 ARG HE . . 4.900 4.610 4.585 4.637 . 0 0 "[ . 1 . 2]" 1
558 1 29 ARG HB3 1 30 LEU H . . 4.800 2.809 2.750 2.854 . 0 0 "[ . 1 . 2]" 1
559 1 29 ARG HB3 1 36 VAL MG1 . . 5.700 4.439 4.199 4.842 . 0 0 "[ . 1 . 2]" 1
560 1 29 ARG HB3 1 36 VAL MG2 . . 5.700 3.045 2.277 3.450 . 0 0 "[ . 1 . 2]" 1
561 1 29 ARG HB3 1 40 PHE QR . . 4.200 3.476 3.250 3.575 . 0 0 "[ . 1 . 2]" 1
562 1 29 ARG HD2 1 33 THR H . . 3.800 3.764 3.564 3.795 . 0 0 "[ . 1 . 2]" 1
563 1 29 ARG HD2 1 33 THR HB . . 4.800 4.043 3.870 4.310 . 0 0 "[ . 1 . 2]" 1
564 1 29 ARG HD2 1 33 THR MG . . 4.100 2.157 2.089 2.226 . 0 0 "[ . 1 . 2]" 1
565 1 29 ARG HD2 1 35 SER H . . 4.900 4.534 4.423 4.844 . 0 0 "[ . 1 . 2]" 1
566 1 29 ARG HD3 1 33 THR MG . . 4.800 3.559 3.506 3.611 . 0 0 "[ . 1 . 2]" 1
567 1 29 ARG HD3 1 36 VAL QG . . 4.800 3.892 3.648 4.138 . 0 0 "[ . 1 . 2]" 1
568 1 29 ARG HD3 1 40 PHE QR . . 4.300 2.854 2.791 2.960 . 0 0 "[ . 1 . 2]" 1
569 1 29 ARG HE 1 29 ARG HG2 . . 3.900 2.518 2.419 2.553 . 0 0 "[ . 1 . 2]" 1
570 1 29 ARG HE 1 29 ARG HG3 . . 3.800 2.557 2.528 2.681 . 0 0 "[ . 1 . 2]" 1
571 1 29 ARG HE 1 33 THR MG . . 3.600 2.544 2.452 2.620 . 0 0 "[ . 1 . 2]" 1
572 1 29 ARG HE 1 35 SER H . . 4.800 3.882 3.747 4.408 . 0 0 "[ . 1 . 2]" 1
573 1 29 ARG HE 1 36 VAL HA . . 4.200 2.598 2.470 2.817 . 0 0 "[ . 1 . 2]" 1
574 1 29 ARG HE 1 36 VAL MG1 . . 5.500 5.079 4.506 5.510 0.010 15 0 "[ . 1 . 2]" 1
575 1 29 ARG HE 1 36 VAL QG . . 4.300 3.786 3.697 3.850 . 0 0 "[ . 1 . 2]" 1
576 1 29 ARG HE 1 36 VAL MG2 . . 5.500 3.929 3.763 4.146 . 0 0 "[ . 1 . 2]" 1
577 1 29 ARG HE 1 37 ASP H . . 5.000 3.755 3.325 3.940 . 0 0 "[ . 1 . 2]" 1
578 1 29 ARG HE 1 40 PHE QR . . 5.300 4.341 4.059 4.475 . 0 0 "[ . 1 . 2]" 1
579 1 29 ARG HG2 1 35 SER H . . 4.600 4.630 4.505 4.658 0.058 16 0 "[ . 1 . 2]" 1
580 1 29 ARG HG2 1 36 VAL H . . 5.000 4.514 4.281 4.691 . 0 0 "[ . 1 . 2]" 1
581 1 29 ARG HG2 1 36 VAL HA . . 4.000 2.213 2.142 2.317 . 0 0 "[ . 1 . 2]" 1
582 1 29 ARG HG2 1 37 ASP H . . 4.800 3.865 3.603 3.955 . 0 0 "[ . 1 . 2]" 1
583 1 29 ARG HG2 1 40 PHE QR . . 5.000 3.274 3.027 3.438 . 0 0 "[ . 1 . 2]" 1
584 1 29 ARG HG3 1 30 LEU H . . 5.000 4.001 3.910 4.158 . 0 0 "[ . 1 . 2]" 1
585 1 29 ARG HG3 1 32 GLY H . . 5.500 5.155 5.049 5.346 . 0 0 "[ . 1 . 2]" 1
586 1 29 ARG HG3 1 35 SER H . . 4.000 3.159 3.090 3.238 . 0 0 "[ . 1 . 2]" 1
587 1 29 ARG HG3 1 35 SER HA . . 5.500 4.540 4.393 4.736 . 0 0 "[ . 1 . 2]" 1
588 1 29 ARG HG3 1 36 VAL HA . . 4.700 3.147 2.994 3.241 . 0 0 "[ . 1 . 2]" 1
589 1 29 ARG HG3 1 37 ASP H . . 5.500 5.150 4.871 5.311 . 0 0 "[ . 1 . 2]" 1
590 1 30 LEU H 1 30 LEU HB2 . . 3.100 2.565 2.525 2.601 . 0 0 "[ . 1 . 2]" 1
591 1 30 LEU H 1 30 LEU HB3 . . 3.600 3.644 3.627 3.654 0.054 20 0 "[ . 1 . 2]" 1
592 1 30 LEU H 1 30 LEU MD1 . . 5.300 3.783 3.696 3.837 . 0 0 "[ . 1 . 2]" 1
593 1 30 LEU H 1 30 LEU MD2 . . 3.700 3.237 3.111 3.323 . 0 0 "[ . 1 . 2]" 1
594 1 30 LEU H 1 30 LEU HG . . 3.200 2.316 2.243 2.378 . 0 0 "[ . 1 . 2]" 1
595 1 30 LEU H 1 31 ILE H . . 3.600 2.734 2.697 2.774 . 0 0 "[ . 1 . 2]" 1
596 1 30 LEU H 1 32 GLY H . . 4.600 3.929 3.858 4.033 . 0 0 "[ . 1 . 2]" 1
597 1 30 LEU H 1 34 GLY H . . 4.900 4.562 4.526 4.596 . 0 0 "[ . 1 . 2]" 1
598 1 30 LEU H 1 80 GLU HG2 . . 5.500 5.522 5.500 5.535 0.035 8 0 "[ . 1 . 2]" 1
599 1 30 LEU H 1 80 GLU HG3 . . 5.500 5.131 4.869 5.495 . 0 0 "[ . 1 . 2]" 1
600 1 30 LEU HA 1 30 LEU MD1 . . 4.400 3.855 3.807 3.891 . 0 0 "[ . 1 . 2]" 1
601 1 30 LEU HA 1 30 LEU MD2 . . 3.100 2.158 2.133 2.186 . 0 0 "[ . 1 . 2]" 1
602 1 30 LEU HA 1 30 LEU HG . . 4.000 3.210 3.130 3.267 . 0 0 "[ . 1 . 2]" 1
603 1 30 LEU HA 1 33 THR H . . 4.900 3.808 3.662 4.304 . 0 0 "[ . 1 . 2]" 1
604 1 30 LEU HA 1 34 GLY H . . 4.100 2.569 2.450 2.707 . 0 0 "[ . 1 . 2]" 1
605 1 30 LEU HA 1 35 SER H . . 4.500 3.617 3.431 3.850 . 0 0 "[ . 1 . 2]" 1
606 1 30 LEU HB2 1 30 LEU MD1 . . 3.500 2.404 2.350 2.429 . 0 0 "[ . 1 . 2]" 1
607 1 30 LEU HB2 1 34 GLY H . . 5.500 5.405 5.292 5.507 0.007 11 0 "[ . 1 . 2]" 1
608 1 30 LEU HB2 1 80 GLU HG2 . . 3.600 3.118 3.025 3.225 . 0 0 "[ . 1 . 2]" 1
609 1 30 LEU HB3 1 30 LEU MD1 . . 2.600 2.398 2.342 2.460 . 0 0 "[ . 1 . 2]" 1
610 1 30 LEU HB3 1 30 LEU MD2 . . 3.400 2.476 2.430 2.536 . 0 0 "[ . 1 . 2]" 1
611 1 30 LEU HB3 1 31 ILE H . . 4.300 3.787 3.638 3.874 . 0 0 "[ . 1 . 2]" 1
612 1 30 LEU HB3 1 34 GLY H . . 5.200 4.844 4.686 5.026 . 0 0 "[ . 1 . 2]" 1
613 1 30 LEU HB3 1 80 GLU HG2 . . 4.200 3.626 3.397 3.863 . 0 0 "[ . 1 . 2]" 1
614 1 30 LEU MD1 1 78 GLY HA3 . . 4.800 4.405 4.079 4.621 . 0 0 "[ . 1 . 2]" 1
615 1 30 LEU MD1 1 80 GLU H . . 3.100 3.164 3.123 3.188 0.088 20 0 "[ . 1 . 2]" 1
616 1 30 LEU MD1 1 80 GLU HA . . 4.700 4.402 4.344 4.528 . 0 0 "[ . 1 . 2]" 1
617 1 30 LEU MD1 1 80 GLU HB2 . . 4.200 2.052 1.979 2.240 . 0 0 "[ . 1 . 2]" 1
618 1 30 LEU MD1 1 80 GLU HB3 . . 4.200 3.039 2.972 3.140 . 0 0 "[ . 1 . 2]" 1
619 1 30 LEU MD1 1 80 GLU HG2 . . 3.800 2.645 2.342 2.885 . 0 0 "[ . 1 . 2]" 1
620 1 30 LEU MD1 1 80 GLU HG3 . . 3.500 2.245 2.170 2.359 . 0 0 "[ . 1 . 2]" 1
621 1 30 LEU MD1 1 81 GLY H . . 5.500 4.662 4.545 4.940 . 0 0 "[ . 1 . 2]" 1
622 1 30 LEU MD1 1 82 GLU H . . 4.300 3.932 3.670 4.323 0.023 11 0 "[ . 1 . 2]" 1
623 1 30 LEU MD2 1 34 GLY HA2 . . 4.400 2.934 2.821 3.123 . 0 0 "[ . 1 . 2]" 1
624 1 30 LEU MD2 1 34 GLY HA3 . . 5.100 4.127 4.005 4.310 . 0 0 "[ . 1 . 2]" 1
625 1 30 LEU MD2 1 35 SER H . . 4.500 3.468 3.300 3.575 . 0 0 "[ . 1 . 2]" 1
626 1 30 LEU MD2 1 35 SER HA . . 3.500 2.931 2.659 3.255 . 0 0 "[ . 1 . 2]" 1
627 1 30 LEU MD2 1 35 SER QB . . 4.700 4.452 4.127 4.713 0.013 8 0 "[ . 1 . 2]" 1
628 1 30 LEU MD2 1 36 VAL H . . 3.700 3.714 3.402 3.769 0.069 16 0 "[ . 1 . 2]" 1
629 1 30 LEU MD2 1 58 GLN HE21 . . 5.500 3.987 3.280 5.531 0.031 18 0 "[ . 1 . 2]" 1
630 1 30 LEU MD2 1 58 GLN HE22 . . 4.800 3.044 2.259 4.548 . 0 0 "[ . 1 . 2]" 1
631 1 30 LEU HG 1 34 GLY H . . 5.500 5.531 5.517 5.551 0.051 15 0 "[ . 1 . 2]" 1
632 1 30 LEU HG 1 80 GLU HG2 . . 5.200 4.785 4.591 4.921 . 0 0 "[ . 1 . 2]" 1
633 1 31 ILE H 1 31 ILE HB . . 3.200 2.360 2.341 2.391 . 0 0 "[ . 1 . 2]" 1
634 1 31 ILE H 1 31 ILE MD . . 4.000 3.453 3.379 3.508 . 0 0 "[ . 1 . 2]" 1
635 1 31 ILE H 1 31 ILE HG12 . . 3.700 3.672 3.582 3.701 0.001 15 0 "[ . 1 . 2]" 1
636 1 31 ILE H 1 31 ILE HG13 . . 3.300 2.333 2.215 2.379 . 0 0 "[ . 1 . 2]" 1
637 1 31 ILE H 1 31 ILE MG . . 3.900 3.767 3.761 3.774 . 0 0 "[ . 1 . 2]" 1
638 1 31 ILE H 1 32 GLY H . . 3.600 2.577 2.521 2.665 . 0 0 "[ . 1 . 2]" 1
639 1 31 ILE H 1 80 GLU HG2 . . 5.300 5.145 4.957 5.296 . 0 0 "[ . 1 . 2]" 1
640 1 31 ILE H 1 80 GLU HG3 . . 5.500 4.886 4.530 5.332 . 0 0 "[ . 1 . 2]" 1
641 1 31 ILE HA 1 31 ILE MD . . 4.000 3.891 3.856 3.908 . 0 0 "[ . 1 . 2]" 1
642 1 31 ILE HA 1 31 ILE HG12 . . 3.600 2.584 2.509 2.618 . 0 0 "[ . 1 . 2]" 1
643 1 31 ILE HA 1 31 ILE HG13 . . 3.800 2.855 2.840 2.892 . 0 0 "[ . 1 . 2]" 1
644 1 31 ILE HA 1 31 ILE MG . . 3.400 2.512 2.490 2.540 . 0 0 "[ . 1 . 2]" 1
645 1 31 ILE HB 1 31 ILE MD . . 3.700 2.378 2.363 2.398 . 0 0 "[ . 1 . 2]" 1
646 1 31 ILE HB 1 32 GLY H . . 3.500 2.824 2.752 2.912 . 0 0 "[ . 1 . 2]" 1
647 1 31 ILE HB 1 32 GLY HA2 . . 5.400 4.449 4.392 4.636 . 0 0 "[ . 1 . 2]" 1
648 1 31 ILE MD 1 80 GLU HG2 . . 4.900 4.636 4.382 4.900 . 0 0 "[ . 1 . 2]" 1
649 1 31 ILE HG13 1 32 GLY H . . 4.500 4.467 4.425 4.482 . 0 0 "[ . 1 . 2]" 1
650 1 31 ILE HG13 1 80 GLU HG2 . . 4.800 4.212 3.958 4.509 . 0 0 "[ . 1 . 2]" 1
651 1 31 ILE MG 1 32 GLY H . . 4.100 3.500 3.426 3.589 . 0 0 "[ . 1 . 2]" 1
652 1 31 ILE MG 1 32 GLY HA2 . . 4.700 3.467 3.386 3.687 . 0 0 "[ . 1 . 2]" 1
653 1 31 ILE MG 1 32 GLY HA3 . . 4.900 4.435 4.369 4.564 . 0 0 "[ . 1 . 2]" 1
654 1 32 GLY H 1 33 THR H . . 3.600 2.704 2.644 2.972 . 0 0 "[ . 1 . 2]" 1
655 1 32 GLY H 1 33 THR HA . . 5.200 5.266 5.254 5.299 0.099 17 0 "[ . 1 . 2]" 1
656 1 32 GLY H 1 33 THR MG . . 4.400 4.402 4.360 4.416 0.016 14 0 "[ . 1 . 2]" 1
657 1 32 GLY HA2 1 33 THR MG . . 4.900 4.913 4.851 4.938 0.038 15 0 "[ . 1 . 2]" 1
658 1 32 GLY HA3 1 33 THR H . . 2.700 2.721 2.336 2.767 0.067 5 0 "[ . 1 . 2]" 1
659 1 32 GLY HA3 1 33 THR MG . . 5.200 3.755 3.691 3.796 . 0 0 "[ . 1 . 2]" 1
660 1 33 THR H 1 33 THR MG . . 2.900 2.443 1.940 2.557 . 0 0 "[ . 1 . 2]" 1
661 1 33 THR HA 1 33 THR MG . . 3.500 3.244 3.230 3.251 . 0 0 "[ . 1 . 2]" 1
662 1 33 THR HB 1 35 SER H . . 5.000 4.900 4.752 4.971 . 0 0 "[ . 1 . 2]" 1
663 1 33 THR MG 1 34 GLY H . . 2.500 2.468 2.369 2.512 0.012 8 0 "[ . 1 . 2]" 1
664 1 33 THR MG 1 35 SER H . . 3.200 2.067 1.952 2.134 . 0 0 "[ . 1 . 2]" 1
665 1 34 GLY H 1 34 GLY HA2 . . 2.500 2.373 2.295 2.429 . 0 0 "[ . 1 . 2]" 1
666 1 34 GLY H 1 35 SER H . . 3.500 2.445 2.385 2.782 . 0 0 "[ . 1 . 2]" 1
667 1 34 GLY HA2 1 35 SER H . . 3.100 3.221 3.190 3.277 0.177 15 0 "[ . 1 . 2]" 1
668 1 35 SER H 1 35 SER QB . . 3.400 2.923 2.757 3.340 . 0 0 "[ . 1 . 2]" 1
669 1 35 SER H 1 36 VAL H . . 4.300 4.287 4.226 4.310 0.010 5 0 "[ . 1 . 2]" 1
670 1 35 SER H 1 36 VAL QG . . 5.400 4.895 4.331 5.137 . 0 0 "[ . 1 . 2]" 1
671 1 35 SER HA 1 36 VAL H . . 2.800 2.275 2.188 2.359 . 0 0 "[ . 1 . 2]" 1
672 1 35 SER HA 1 36 VAL HB . . 5.500 4.382 4.084 4.594 . 0 0 "[ . 1 . 2]" 1
673 1 35 SER HA 1 36 VAL QG . . 4.200 3.776 3.543 3.998 . 0 0 "[ . 1 . 2]" 1
674 1 35 SER HA 1 58 GLN HE22 . . 5.500 2.312 1.956 3.866 . 0 0 "[ . 1 . 2]" 1
675 1 35 SER QB 1 36 VAL H . . 3.400 2.876 2.673 3.424 0.024 14 0 "[ . 1 . 2]" 1
676 1 35 SER QB 1 58 GLN HE21 . . 5.500 4.705 3.576 5.344 . 0 0 "[ . 1 . 2]" 1
677 1 35 SER QB 1 58 GLN HE22 . . 5.000 3.636 2.669 4.156 . 0 0 "[ . 1 . 2]" 1
678 1 36 VAL H 1 36 VAL HB . . 3.400 2.858 2.267 3.161 . 0 0 "[ . 1 . 2]" 1
679 1 36 VAL H 1 36 VAL QG . . 3.100 2.336 2.058 2.887 . 0 0 "[ . 1 . 2]" 1
680 1 36 VAL H 1 37 ASP H . . 4.600 4.504 4.414 4.597 . 0 0 "[ . 1 . 2]" 1
681 1 36 VAL HA 1 37 ASP H . . 2.800 2.242 2.080 2.280 . 0 0 "[ . 1 . 2]" 1
682 1 36 VAL HA 1 37 ASP HA . . 5.500 4.458 4.398 4.503 . 0 0 "[ . 1 . 2]" 1
683 1 36 VAL HA 1 40 PHE H . . 5.500 5.544 5.521 5.567 0.067 15 0 "[ . 1 . 2]" 1
684 1 36 VAL HA 1 40 PHE HB2 . . 5.100 4.404 4.173 4.567 . 0 0 "[ . 1 . 2]" 1
685 1 36 VAL HA 1 40 PHE HB3 . . 4.700 3.760 3.652 4.021 . 0 0 "[ . 1 . 2]" 1
686 1 36 VAL HA 1 40 PHE QR . . 5.100 4.028 3.594 4.360 . 0 0 "[ . 1 . 2]" 1
687 1 36 VAL HB 1 37 ASP H . . 4.300 4.191 4.124 4.268 . 0 0 "[ . 1 . 2]" 1
688 1 36 VAL HB 1 40 PHE QR . . 4.900 4.442 4.114 4.912 0.012 1 0 "[ . 1 . 2]" 1
689 1 36 VAL HB 1 58 GLN HE22 . . 5.500 5.350 4.871 5.487 . 0 0 "[ . 1 . 2]" 1
690 1 36 VAL QG 1 37 ASP H . . 3.200 2.412 2.300 2.615 . 0 0 "[ . 1 . 2]" 1
691 1 36 VAL QG 1 37 ASP HB3 . . 5.100 4.995 4.917 5.063 . 0 0 "[ . 1 . 2]" 1
692 1 36 VAL QG 1 40 PHE H . . 4.800 4.161 3.934 4.381 . 0 0 "[ . 1 . 2]" 1
693 1 36 VAL QG 1 40 PHE HB2 . . 5.000 3.812 3.325 4.141 . 0 0 "[ . 1 . 2]" 1
694 1 36 VAL QG 1 40 PHE HB3 . . 4.300 2.607 2.272 2.856 . 0 0 "[ . 1 . 2]" 1
695 1 36 VAL QG 1 40 PHE QR . . 4.100 2.182 2.086 2.434 . 0 0 "[ . 1 . 2]" 1
696 1 36 VAL QG 1 41 LEU H . . 5.400 3.801 3.566 4.247 . 0 0 "[ . 1 . 2]" 1
697 1 36 VAL QG 1 58 GLN HE22 . . 4.600 4.116 2.538 4.596 . 0 0 "[ . 1 . 2]" 1
698 1 37 ASP H 1 37 ASP HB2 . . 3.700 2.726 2.662 2.798 . 0 0 "[ . 1 . 2]" 1
699 1 37 ASP H 1 37 ASP HB3 . . 3.900 3.748 3.710 3.806 . 0 0 "[ . 1 . 2]" 1
700 1 37 ASP H 1 38 GLU H . . 4.700 4.466 4.429 4.664 . 0 0 "[ . 1 . 2]" 1
701 1 37 ASP H 1 38 GLU HA . . 5.500 5.222 5.123 5.402 . 0 0 "[ . 1 . 2]" 1
702 1 37 ASP H 1 39 ASP H . . 5.100 5.038 4.919 5.089 . 0 0 "[ . 1 . 2]" 1
703 1 37 ASP H 1 40 PHE H . . 4.100 3.502 3.448 3.635 . 0 0 "[ . 1 . 2]" 1
704 1 37 ASP H 1 40 PHE HA . . 5.300 5.253 5.133 5.336 0.036 15 0 "[ . 1 . 2]" 1
705 1 37 ASP H 1 40 PHE HB2 . . 3.700 3.213 2.886 3.334 . 0 0 "[ . 1 . 2]" 1
706 1 37 ASP H 1 40 PHE HB3 . . 3.500 2.489 2.304 2.866 . 0 0 "[ . 1 . 2]" 1
707 1 37 ASP H 1 41 LEU H . . 5.100 4.498 4.174 5.098 . 0 0 "[ . 1 . 2]" 1
708 1 37 ASP H 1 41 LEU QD . . 5.400 4.287 3.878 4.810 . 0 0 "[ . 1 . 2]" 1
709 1 37 ASP H 1 41 LEU HG . . 5.400 4.131 3.889 4.580 . 0 0 "[ . 1 . 2]" 1
710 1 37 ASP HA 1 38 GLU H . . 3.100 2.332 2.276 2.396 . 0 0 "[ . 1 . 2]" 1
711 1 37 ASP HA 1 38 GLU HA . . 4.600 4.325 4.281 4.428 . 0 0 "[ . 1 . 2]" 1
712 1 37 ASP HA 1 39 ASP H . . 4.600 4.467 4.107 4.566 . 0 0 "[ . 1 . 2]" 1
713 1 37 ASP HA 1 40 PHE H . . 5.500 4.656 4.450 4.751 . 0 0 "[ . 1 . 2]" 1
714 1 37 ASP HA 1 61 VAL MG1 . . 4.400 3.025 2.732 3.353 . 0 0 "[ . 1 . 2]" 1
715 1 37 ASP HA 1 61 VAL MG2 . . 4.400 2.709 2.275 3.582 . 0 0 "[ . 1 . 2]" 1
716 1 37 ASP HB2 1 38 GLU H . . 3.800 3.659 3.538 3.819 0.019 15 0 "[ . 1 . 2]" 1
717 1 37 ASP HB2 1 39 ASP H . . 3.200 3.222 3.067 3.242 0.042 8 0 "[ . 1 . 2]" 1
718 1 37 ASP HB2 1 40 PHE H . . 3.200 2.960 2.522 3.209 0.009 6 0 "[ . 1 . 2]" 1
719 1 37 ASP HB2 1 41 LEU H . . 5.500 5.036 4.612 5.499 . 0 0 "[ . 1 . 2]" 1
720 1 37 ASP HB3 1 38 GLU H . . 3.000 2.821 2.672 2.983 . 0 0 "[ . 1 . 2]" 1
721 1 37 ASP HB3 1 39 ASP H . . 3.800 3.377 2.952 3.557 . 0 0 "[ . 1 . 2]" 1
722 1 38 GLU H 1 38 GLU HB2 . . 3.400 2.179 2.100 2.273 . 0 0 "[ . 1 . 2]" 1
723 1 38 GLU H 1 38 GLU HB3 . . 3.400 2.916 2.740 3.016 . 0 0 "[ . 1 . 2]" 1
724 1 38 GLU H 1 38 GLU HG2 . . 4.600 4.451 4.320 4.491 . 0 0 "[ . 1 . 2]" 1
725 1 38 GLU H 1 38 GLU HG3 . . 4.700 4.092 3.982 4.361 . 0 0 "[ . 1 . 2]" 1
726 1 38 GLU H 1 39 ASP H . . 3.500 3.057 2.780 3.123 . 0 0 "[ . 1 . 2]" 1
727 1 38 GLU H 1 40 PHE H . . 4.700 4.337 4.238 4.403 . 0 0 "[ . 1 . 2]" 1
728 1 38 GLU H 1 41 LEU H . . 5.500 5.087 4.891 5.384 . 0 0 "[ . 1 . 2]" 1
729 1 38 GLU H 1 41 LEU HB2 . . 5.500 5.287 5.036 5.489 . 0 0 "[ . 1 . 2]" 1
730 1 38 GLU H 1 61 VAL MG1 . . 4.800 2.679 2.290 3.571 . 0 0 "[ . 1 . 2]" 1
731 1 38 GLU H 1 61 VAL QG . . 3.600 2.310 2.017 2.532 . 0 0 "[ . 1 . 2]" 1
732 1 38 GLU H 1 61 VAL MG2 . . 4.800 2.973 2.028 3.586 . 0 0 "[ . 1 . 2]" 1
733 1 38 GLU HA 1 38 GLU HG2 . . 4.100 2.556 2.332 2.638 . 0 0 "[ . 1 . 2]" 1
734 1 38 GLU HA 1 40 PHE H . . 5.000 4.049 3.907 4.115 . 0 0 "[ . 1 . 2]" 1
735 1 38 GLU HA 1 41 LEU H . . 4.000 3.446 3.327 3.601 . 0 0 "[ . 1 . 2]" 1
736 1 38 GLU HA 1 41 LEU HB2 . . 4.100 2.911 2.654 3.104 . 0 0 "[ . 1 . 2]" 1
737 1 38 GLU HA 1 41 LEU HB3 . . 4.700 4.539 4.260 4.685 . 0 0 "[ . 1 . 2]" 1
738 1 38 GLU HA 1 41 LEU HG . . 5.300 4.385 4.118 4.699 . 0 0 "[ . 1 . 2]" 1
739 1 38 GLU HA 1 42 ARG H . . 5.000 3.984 3.875 4.111 . 0 0 "[ . 1 . 2]" 1
740 1 38 GLU HA 1 61 VAL MG1 . . 5.100 2.712 2.147 3.731 . 0 0 "[ . 1 . 2]" 1
741 1 38 GLU HA 1 61 VAL QG . . 3.600 2.494 2.137 3.047 . 0 0 "[ . 1 . 2]" 1
742 1 38 GLU HA 1 61 VAL MG2 . . 5.100 4.024 2.683 4.820 . 0 0 "[ . 1 . 2]" 1
743 1 38 GLU HA 1 63 VAL MG1 . . 4.300 3.880 3.425 4.095 . 0 0 "[ . 1 . 2]" 1
744 1 38 GLU HA 1 63 VAL QG . . 3.700 2.253 2.118 2.494 . 0 0 "[ . 1 . 2]" 1
745 1 38 GLU HA 1 63 VAL MG2 . . 4.300 2.268 2.129 2.519 . 0 0 "[ . 1 . 2]" 1
746 1 38 GLU QB 1 39 ASP H . . 3.300 2.619 2.563 2.686 . 0 0 "[ . 1 . 2]" 1
747 1 38 GLU HG2 1 39 ASP H . . 4.600 4.385 4.313 4.460 . 0 0 "[ . 1 . 2]" 1
748 1 38 GLU HG2 1 39 ASP HA . . 5.200 4.594 4.481 4.784 . 0 0 "[ . 1 . 2]" 1
749 1 38 GLU HG2 1 41 LEU H . . 5.500 4.939 4.512 5.249 . 0 0 "[ . 1 . 2]" 1
750 1 38 GLU HG2 1 42 ARG H . . 4.800 3.996 3.821 4.149 . 0 0 "[ . 1 . 2]" 1
751 1 38 GLU HG2 1 61 VAL QG . . 4.600 3.747 3.438 3.985 . 0 0 "[ . 1 . 2]" 1
752 1 38 GLU HG2 1 63 VAL HA . . 5.100 2.505 2.380 2.664 . 0 0 "[ . 1 . 2]" 1
753 1 38 GLU HG2 1 63 VAL HB . . 4.500 4.527 4.370 4.546 0.046 7 0 "[ . 1 . 2]" 1
754 1 38 GLU HG2 1 63 VAL MG1 . . 4.800 2.424 2.302 2.707 . 0 0 "[ . 1 . 2]" 1
755 1 38 GLU HG2 1 63 VAL QG . . 4.200 2.089 1.989 2.153 . 0 0 "[ . 1 . 2]" 1
756 1 38 GLU HG2 1 63 VAL MG2 . . 4.800 2.292 2.105 2.543 . 0 0 "[ . 1 . 2]" 1
757 1 38 GLU HG2 1 64 GLY H . . 4.200 3.835 3.664 3.995 . 0 0 "[ . 1 . 2]" 1
758 1 38 GLU HG3 1 41 LEU HB2 . . 5.300 4.839 4.517 5.365 0.065 9 0 "[ . 1 . 2]" 1
759 1 38 GLU HG3 1 61 VAL HA . . 5.500 5.178 4.567 5.513 0.013 9 0 "[ . 1 . 2]" 1
760 1 38 GLU HG3 1 61 VAL QG . . 3.900 2.709 2.540 3.218 . 0 0 "[ . 1 . 2]" 1
761 1 38 GLU HG3 1 62 GLU H . . 4.700 3.671 3.316 4.148 . 0 0 "[ . 1 . 2]" 1
762 1 38 GLU HG3 1 63 VAL H . . 4.700 4.043 3.866 4.516 . 0 0 "[ . 1 . 2]" 1
763 1 38 GLU HG3 1 63 VAL HA . . 5.400 2.308 2.181 2.413 . 0 0 "[ . 1 . 2]" 1
764 1 38 GLU HG3 1 63 VAL MG1 . . 5.300 3.471 3.297 3.689 . 0 0 "[ . 1 . 2]" 1
765 1 38 GLU HG3 1 63 VAL QG . . 4.200 2.435 2.286 2.998 . 0 0 "[ . 1 . 2]" 1
766 1 38 GLU HG3 1 63 VAL MG2 . . 5.300 2.493 2.331 3.221 . 0 0 "[ . 1 . 2]" 1
767 1 39 ASP H 1 39 ASP HB2 . . 3.600 2.542 2.328 3.558 . 0 0 "[ . 1 . 2]" 1
768 1 39 ASP H 1 39 ASP QB . . 3.100 2.280 2.095 2.611 . 0 0 "[ . 1 . 2]" 1
769 1 39 ASP H 1 39 ASP HB3 . . 3.600 2.755 2.370 3.625 0.025 6 0 "[ . 1 . 2]" 1
770 1 39 ASP H 1 40 PHE H . . 3.500 2.767 2.714 2.811 . 0 0 "[ . 1 . 2]" 1
771 1 39 ASP H 1 41 LEU H . . 4.700 4.268 4.127 4.385 . 0 0 "[ . 1 . 2]" 1
772 1 39 ASP H 1 42 ARG HE . . 5.500 4.788 4.268 5.521 0.021 4 0 "[ . 1 . 2]" 1
773 1 39 ASP HA 1 41 LEU H . . 4.600 4.227 3.607 4.491 . 0 0 "[ . 1 . 2]" 1
774 1 39 ASP HA 1 42 ARG H . . 3.800 3.692 3.461 3.853 0.053 20 0 "[ . 1 . 2]" 1
775 1 39 ASP HA 1 42 ARG HB2 . . 5.000 4.932 4.825 4.980 . 0 0 "[ . 1 . 2]" 1
776 1 39 ASP HA 1 42 ARG HB3 . . 4.100 4.024 3.946 4.134 0.034 18 0 "[ . 1 . 2]" 1
777 1 39 ASP HA 1 42 ARG HD2 . . 5.000 3.563 2.474 4.196 . 0 0 "[ . 1 . 2]" 1
778 1 39 ASP HA 1 42 ARG QD . . 4.300 2.654 2.417 3.353 . 0 0 "[ . 1 . 2]" 1
779 1 39 ASP HA 1 42 ARG HD3 . . 5.000 3.138 2.441 4.293 . 0 0 "[ . 1 . 2]" 1
780 1 39 ASP HA 1 42 ARG HE . . 5.400 2.563 2.186 3.340 . 0 0 "[ . 1 . 2]" 1
781 1 39 ASP HA 1 42 ARG HG3 . . 4.200 3.643 3.505 3.802 . 0 0 "[ . 1 . 2]" 1
782 1 39 ASP HA 1 43 GLU H . . 4.900 4.830 4.462 4.900 . 0 0 "[ . 1 . 2]" 1
783 1 39 ASP HA 1 43 GLU QG . . 5.300 4.450 4.130 4.890 . 0 0 "[ . 1 . 2]" 1
784 1 39 ASP QB 1 40 PHE H . . 3.900 3.180 3.030 3.782 . 0 0 "[ . 1 . 2]" 1
785 1 39 ASP QB 1 41 LEU H . . 5.300 4.968 4.645 5.349 0.049 13 0 "[ . 1 . 2]" 1
786 1 39 ASP HB2 1 40 PHE H . . 4.400 3.984 3.267 4.250 . 0 0 "[ . 1 . 2]" 1
787 1 39 ASP HB3 1 40 PHE H . . 4.400 3.549 3.107 4.400 . 0 0 "[ . 1 . 2]" 1
788 1 40 PHE H 1 40 PHE HB2 . . 3.200 2.679 2.429 2.801 . 0 0 "[ . 1 . 2]" 1
789 1 40 PHE H 1 40 PHE HB3 . . 3.100 2.478 2.386 2.706 . 0 0 "[ . 1 . 2]" 1
790 1 40 PHE H 1 40 PHE QR . . 4.200 4.142 4.106 4.223 0.023 18 0 "[ . 1 . 2]" 1
791 1 40 PHE H 1 41 LEU H . . 3.400 2.414 2.335 2.480 . 0 0 "[ . 1 . 2]" 1
792 1 40 PHE H 1 41 LEU HB2 . . 4.900 4.396 4.201 4.548 . 0 0 "[ . 1 . 2]" 1
793 1 40 PHE H 1 41 LEU QD . . 5.400 4.635 4.358 4.949 . 0 0 "[ . 1 . 2]" 1
794 1 40 PHE H 1 41 LEU HG . . 5.300 4.326 4.017 4.754 . 0 0 "[ . 1 . 2]" 1
795 1 40 PHE H 1 42 ARG H . . 4.200 4.208 4.164 4.244 0.044 9 0 "[ . 1 . 2]" 1
796 1 40 PHE H 1 42 ARG HG2 . . 4.800 4.457 4.302 4.671 . 0 0 "[ . 1 . 2]" 1
797 1 40 PHE HA 1 40 PHE QR . . 3.600 2.729 2.547 2.851 . 0 0 "[ . 1 . 2]" 1
798 1 40 PHE HA 1 43 GLU H . . 4.900 4.407 4.186 4.642 . 0 0 "[ . 1 . 2]" 1
799 1 40 PHE HA 1 43 GLU QB . . 5.200 4.497 3.826 5.228 0.028 5 0 "[ . 1 . 2]" 1
800 1 40 PHE HA 1 43 GLU QG . . 3.500 3.409 2.996 3.562 0.062 15 0 "[ . 1 . 2]" 1
801 1 40 PHE HA 1 44 GLN QG . . 5.300 4.490 4.043 4.810 . 0 0 "[ . 1 . 2]" 1
802 1 40 PHE HB2 1 41 LEU H . . 4.500 4.105 3.791 4.382 . 0 0 "[ . 1 . 2]" 1
803 1 40 PHE HB3 1 41 LEU H . . 3.700 2.981 2.731 3.716 0.016 7 0 "[ . 1 . 2]" 1
804 1 40 PHE QR 1 41 LEU HA . . 4.400 3.675 3.250 4.416 0.016 7 0 "[ . 1 . 2]" 1
805 1 40 PHE QR 1 41 LEU QD . . 4.200 2.626 2.308 3.220 . 0 0 "[ . 1 . 2]" 1
806 1 40 PHE QR 1 41 LEU HG . . 4.300 2.844 2.428 3.768 . 0 0 "[ . 1 . 2]" 1
807 1 40 PHE QR 1 44 GLN HE21 . . 4.500 3.749 3.154 4.319 . 0 0 "[ . 1 . 2]" 1
808 1 40 PHE QR 1 44 GLN QE . . 3.900 3.525 3.005 3.992 0.092 18 0 "[ . 1 . 2]" 1
809 1 40 PHE QR 1 44 GLN HE22 . . 4.500 4.299 3.779 4.859 0.359 11 0 "[ . 1 . 2]" 1
810 1 40 PHE QR 1 44 GLN HG2 . . 4.800 4.179 3.666 4.542 . 0 0 "[ . 1 . 2]" 1
811 1 40 PHE QR 1 44 GLN QG . . 4.000 3.325 2.811 3.732 . 0 0 "[ . 1 . 2]" 1
812 1 40 PHE QR 1 44 GLN HG3 . . 4.800 3.529 2.919 4.735 . 0 0 "[ . 1 . 2]" 1
813 1 41 LEU H 1 41 LEU HB2 . . 3.400 2.279 2.176 2.476 . 0 0 "[ . 1 . 2]" 1
814 1 41 LEU H 1 41 LEU HB3 . . 3.700 3.570 3.462 3.705 0.005 7 0 "[ . 1 . 2]" 1
815 1 41 LEU H 1 41 LEU MD1 . . 5.000 3.752 3.382 4.083 . 0 0 "[ . 1 . 2]" 1
816 1 41 LEU H 1 41 LEU QD . . 4.200 3.339 3.087 3.598 . 0 0 "[ . 1 . 2]" 1
817 1 41 LEU H 1 41 LEU MD2 . . 5.000 3.771 3.552 4.000 . 0 0 "[ . 1 . 2]" 1
818 1 41 LEU H 1 41 LEU HG . . 4.000 2.743 2.275 3.178 . 0 0 "[ . 1 . 2]" 1
819 1 41 LEU H 1 42 ARG H . . 3.400 2.553 2.120 2.744 . 0 0 "[ . 1 . 2]" 1
820 1 41 LEU H 1 42 ARG HG2 . . 4.000 3.947 3.486 4.042 0.042 20 0 "[ . 1 . 2]" 1
821 1 41 LEU H 1 43 GLU H . . 4.800 4.232 3.780 4.499 . 0 0 "[ . 1 . 2]" 1
822 1 41 LEU H 1 43 GLU QG . . 5.300 4.739 3.876 5.201 . 0 0 "[ . 1 . 2]" 1
823 1 41 LEU H 1 63 VAL QG . . 4.300 3.552 3.437 3.676 . 0 0 "[ . 1 . 2]" 1
824 1 41 LEU HA 1 41 LEU QD . . 3.200 2.083 2.034 2.173 . 0 0 "[ . 1 . 2]" 1
825 1 41 LEU HA 1 43 GLU H . . 4.600 3.891 3.747 4.043 . 0 0 "[ . 1 . 2]" 1
826 1 41 LEU HA 1 44 GLN H . . 4.100 3.388 3.235 3.631 . 0 0 "[ . 1 . 2]" 1
827 1 41 LEU HA 1 44 GLN QB . . 3.800 2.747 2.177 3.287 . 0 0 "[ . 1 . 2]" 1
828 1 41 LEU HA 1 44 GLN QE . . 5.300 4.255 3.592 5.101 . 0 0 "[ . 1 . 2]" 1
829 1 41 LEU HA 1 44 GLN HG2 . . 3.900 2.556 2.188 3.142 . 0 0 "[ . 1 . 2]" 1
830 1 41 LEU HA 1 44 GLN QG . . 3.400 2.408 2.135 2.847 . 0 0 "[ . 1 . 2]" 1
831 1 41 LEU HA 1 44 GLN HG3 . . 3.900 3.035 2.728 3.992 0.092 7 0 "[ . 1 . 2]" 1
832 1 41 LEU HA 1 45 ILE H . . 4.700 4.594 4.281 4.727 0.027 20 0 "[ . 1 . 2]" 1
833 1 41 LEU HB2 1 41 LEU QD . . 2.900 2.290 2.200 2.357 . 0 0 "[ . 1 . 2]" 1
834 1 41 LEU HB2 1 42 ARG H . . 3.800 2.926 2.683 3.126 . 0 0 "[ . 1 . 2]" 1
835 1 41 LEU HB2 1 63 VAL MG1 . . 3.500 3.469 2.715 3.523 0.023 6 0 "[ . 1 . 2]" 1
836 1 41 LEU HB2 1 63 VAL QG . . 3.100 2.101 2.057 2.137 . 0 0 "[ . 1 . 2]" 1
837 1 41 LEU HB2 1 63 VAL MG2 . . 3.500 2.121 2.071 2.185 . 0 0 "[ . 1 . 2]" 1
838 1 41 LEU HB3 1 42 ARG H . . 4.500 3.678 3.592 3.815 . 0 0 "[ . 1 . 2]" 1
839 1 41 LEU HB3 1 63 VAL H . . 5.500 5.524 5.502 5.562 0.062 15 0 "[ . 1 . 2]" 1
840 1 41 LEU HB3 1 63 VAL QG . . 3.900 2.119 1.988 2.234 . 0 0 "[ . 1 . 2]" 1
841 1 41 LEU QD 1 43 GLU H . . 5.300 5.186 5.056 5.276 . 0 0 "[ . 1 . 2]" 1
842 1 41 LEU QD 1 44 GLN H . . 5.100 4.501 4.235 4.767 . 0 0 "[ . 1 . 2]" 1
843 1 41 LEU QD 1 44 GLN QE . . 5.200 4.591 4.021 5.229 0.029 9 0 "[ . 1 . 2]" 1
844 1 41 LEU QD 1 44 GLN QG . . 3.800 2.757 2.386 3.108 . 0 0 "[ . 1 . 2]" 1
845 1 42 ARG H 1 42 ARG HB2 . . 3.800 3.635 3.581 3.664 . 0 0 "[ . 1 . 2]" 1
846 1 42 ARG H 1 42 ARG HB3 . . 3.200 2.486 2.387 2.586 . 0 0 "[ . 1 . 2]" 1
847 1 42 ARG H 1 42 ARG HD2 . . 5.500 4.736 4.566 4.941 . 0 0 "[ . 1 . 2]" 1
848 1 42 ARG H 1 42 ARG QD . . 4.800 3.945 3.513 4.330 . 0 0 "[ . 1 . 2]" 1
849 1 42 ARG H 1 42 ARG HD3 . . 5.500 4.278 3.650 4.881 . 0 0 "[ . 1 . 2]" 1
850 1 42 ARG H 1 42 ARG HG2 . . 3.700 2.266 2.150 2.416 . 0 0 "[ . 1 . 2]" 1
851 1 42 ARG H 1 42 ARG HG3 . . 3.500 3.475 3.322 3.555 0.055 4 0 "[ . 1 . 2]" 1
852 1 42 ARG H 1 43 GLU H . . 3.400 2.944 2.836 3.055 . 0 0 "[ . 1 . 2]" 1
853 1 42 ARG H 1 43 GLU QG . . 5.000 4.158 3.869 4.345 . 0 0 "[ . 1 . 2]" 1
854 1 42 ARG H 1 44 GLN H . . 4.700 4.348 4.225 4.473 . 0 0 "[ . 1 . 2]" 1
855 1 42 ARG H 1 63 VAL MG1 . . 4.000 2.835 2.447 2.962 . 0 0 "[ . 1 . 2]" 1
856 1 42 ARG H 1 63 VAL QG . . 2.900 2.648 2.414 2.746 . 0 0 "[ . 1 . 2]" 1
857 1 42 ARG H 1 63 VAL MG2 . . 4.000 3.204 2.991 3.684 . 0 0 "[ . 1 . 2]" 1
858 1 42 ARG HA 1 42 ARG HD2 . . 5.400 5.007 4.692 5.488 0.088 11 0 "[ . 1 . 2]" 1
859 1 42 ARG HA 1 42 ARG QD . . 4.800 4.339 4.186 4.499 . 0 0 "[ . 1 . 2]" 1
860 1 42 ARG HA 1 42 ARG HD3 . . 5.400 4.805 4.614 4.937 . 0 0 "[ . 1 . 2]" 1
861 1 42 ARG HA 1 42 ARG HG2 . . 4.100 3.793 3.746 3.852 . 0 0 "[ . 1 . 2]" 1
862 1 42 ARG HA 1 42 ARG HG3 . . 3.900 3.775 3.719 3.870 . 0 0 "[ . 1 . 2]" 1
863 1 42 ARG HA 1 44 GLN H . . 4.700 3.698 3.551 3.924 . 0 0 "[ . 1 . 2]" 1
864 1 42 ARG HA 1 45 ILE H . . 4.200 3.775 3.593 4.062 . 0 0 "[ . 1 . 2]" 1
865 1 42 ARG HA 1 45 ILE MD . . 4.300 3.088 2.378 3.966 . 0 0 "[ . 1 . 2]" 1
866 1 42 ARG HA 1 45 ILE HG12 . . 4.900 2.418 2.163 2.941 . 0 0 "[ . 1 . 2]" 1
867 1 42 ARG HA 1 45 ILE HG13 . . 4.500 3.842 3.347 4.502 0.002 16 0 "[ . 1 . 2]" 1
868 1 42 ARG HA 1 45 ILE MG . . 5.500 3.555 3.447 3.688 . 0 0 "[ . 1 . 2]" 1
869 1 42 ARG HA 1 51 ALA H . . 5.500 5.557 5.527 5.612 0.112 9 0 "[ . 1 . 2]" 1
870 1 42 ARG HA 1 63 VAL HB . . 4.800 4.546 4.463 4.610 . 0 0 "[ . 1 . 2]" 1
871 1 42 ARG HA 1 63 VAL QG . . 3.600 2.119 2.043 2.217 . 0 0 "[ . 1 . 2]" 1
872 1 42 ARG HB2 1 42 ARG QD . . 3.700 2.396 2.316 2.484 . 0 0 "[ . 1 . 2]" 1
873 1 42 ARG HB2 1 42 ARG HG3 . . 2.700 2.492 2.425 2.563 . 0 0 "[ . 1 . 2]" 1
874 1 42 ARG HB2 1 43 GLU H . . 4.300 4.033 3.968 4.129 . 0 0 "[ . 1 . 2]" 1
875 1 42 ARG HB3 1 42 ARG QD . . 3.500 2.615 2.259 3.067 . 0 0 "[ . 1 . 2]" 1
876 1 42 ARG HB3 1 45 ILE MG . . 5.300 5.364 5.345 5.388 0.088 9 0 "[ . 1 . 2]" 1
877 1 42 ARG HB3 1 63 VAL QG . . 4.500 2.103 2.029 2.191 . 0 0 "[ . 1 . 2]" 1
878 1 42 ARG QD 1 63 VAL QG . . 4.800 3.787 3.212 4.325 . 0 0 "[ . 1 . 2]" 1
879 1 42 ARG HG3 1 43 GLU H . . 4.400 2.715 2.527 3.079 . 0 0 "[ . 1 . 2]" 1
880 1 43 GLU H 1 43 GLU QB . . 2.900 2.646 2.521 2.924 0.024 7 0 "[ . 1 . 2]" 1
881 1 43 GLU H 1 43 GLU HG2 . . 4.000 2.610 1.969 3.109 . 0 0 "[ . 1 . 2]" 1
882 1 43 GLU H 1 43 GLU QG . . 3.400 2.086 1.778 2.280 . 0 0 "[ . 1 . 2]" 1
883 1 43 GLU H 1 43 GLU HG3 . . 4.000 2.372 1.804 2.779 . 0 0 "[ . 1 . 2]" 1
884 1 43 GLU H 1 44 GLN H . . 3.600 2.779 2.621 2.873 . 0 0 "[ . 1 . 2]" 1
885 1 43 GLU H 1 44 GLN QE . . 4.500 4.256 3.838 4.563 0.063 9 0 "[ . 1 . 2]" 1
886 1 43 GLU H 1 44 GLN HG2 . . 5.500 3.598 3.322 5.144 . 0 0 "[ . 1 . 2]" 1
887 1 43 GLU H 1 44 GLN QG . . 4.700 3.523 3.279 4.686 . 0 0 "[ . 1 . 2]" 1
888 1 43 GLU H 1 44 GLN HG3 . . 5.500 5.195 5.006 5.418 . 0 0 "[ . 1 . 2]" 1
889 1 43 GLU H 1 63 VAL QG . . 5.100 4.430 4.312 4.496 . 0 0 "[ . 1 . 2]" 1
890 1 43 GLU HA 1 43 GLU QG . . 3.700 2.788 2.365 3.359 . 0 0 "[ . 1 . 2]" 1
891 1 43 GLU QB 1 44 GLN H . . 4.300 3.680 3.284 4.089 . 0 0 "[ . 1 . 2]" 1
892 1 43 GLU QB 1 44 GLN HE21 . . 4.300 3.046 2.445 4.073 . 0 0 "[ . 1 . 2]" 1
893 1 43 GLU QB 1 44 GLN QE . . 3.600 2.835 2.320 3.625 0.025 8 0 "[ . 1 . 2]" 1
894 1 43 GLU QB 1 44 GLN HE22 . . 4.300 3.502 2.360 4.346 0.046 16 0 "[ . 1 . 2]" 1
895 1 43 GLU QB 1 44 GLN QG . . 4.600 3.474 2.831 4.217 . 0 0 "[ . 1 . 2]" 1
896 1 43 GLU QG 1 44 GLN H . . 4.400 3.963 3.250 4.367 . 0 0 "[ . 1 . 2]" 1
897 1 43 GLU HG2 1 44 GLN H . . 5.000 4.735 4.081 5.031 0.031 20 0 "[ . 1 . 2]" 1
898 1 43 GLU HG3 1 44 GLN H . . 5.000 4.272 3.414 4.804 . 0 0 "[ . 1 . 2]" 1
899 1 44 GLN H 1 44 GLN QB . . 3.200 2.593 2.300 2.702 . 0 0 "[ . 1 . 2]" 1
900 1 44 GLN H 1 44 GLN QE . . 4.600 4.276 3.802 4.577 . 0 0 "[ . 1 . 2]" 1
901 1 44 GLN H 1 44 GLN HG2 . . 4.400 2.653 2.278 3.971 . 0 0 "[ . 1 . 2]" 1
902 1 44 GLN H 1 44 GLN QG . . 3.500 2.602 2.260 3.544 0.044 7 0 "[ . 1 . 2]" 1
903 1 44 GLN H 1 44 GLN HG3 . . 4.400 3.984 3.766 4.189 . 0 0 "[ . 1 . 2]" 1
904 1 44 GLN H 1 45 ILE H . . 3.200 2.065 1.907 2.428 . 0 0 "[ . 1 . 2]" 1
905 1 44 GLN H 1 45 ILE HB . . 5.500 5.527 5.415 5.578 0.078 10 0 "[ . 1 . 2]" 1
906 1 44 GLN H 1 45 ILE MD . . 5.200 4.747 4.528 4.925 . 0 0 "[ . 1 . 2]" 1
907 1 44 GLN H 1 45 ILE HG13 . . 4.600 3.813 3.622 3.983 . 0 0 "[ . 1 . 2]" 1
908 1 44 GLN H 1 45 ILE MG . . 4.400 4.197 3.897 4.428 0.028 14 0 "[ . 1 . 2]" 1
909 1 44 GLN H 1 46 ARG H . . 5.500 4.745 4.023 5.099 . 0 0 "[ . 1 . 2]" 1
910 1 44 GLN HA 1 44 GLN HE21 . . 4.600 4.446 3.994 4.624 0.024 13 0 "[ . 1 . 2]" 1
911 1 44 GLN HA 1 44 GLN HE22 . . 4.600 4.423 4.115 4.609 0.009 7 0 "[ . 1 . 2]" 1
912 1 44 GLN QB 1 45 ILE H . . 3.900 3.039 2.418 3.260 . 0 0 "[ . 1 . 2]" 1
913 1 44 GLN QE 1 44 GLN QG . . 3.100 2.199 2.169 2.238 . 0 0 "[ . 1 . 2]" 1
914 1 44 GLN QG 1 45 ILE H . . 5.300 4.145 3.737 4.691 . 0 0 "[ . 1 . 2]" 1
915 1 45 ILE H 1 45 ILE HB . . 3.700 3.561 3.369 3.612 . 0 0 "[ . 1 . 2]" 1
916 1 45 ILE H 1 45 ILE MD . . 4.200 3.707 3.561 3.855 . 0 0 "[ . 1 . 2]" 1
917 1 45 ILE H 1 45 ILE HG12 . . 3.400 2.136 2.005 2.335 . 0 0 "[ . 1 . 2]" 1
918 1 45 ILE H 1 45 ILE HG13 . . 3.400 2.431 2.092 2.902 . 0 0 "[ . 1 . 2]" 1
919 1 45 ILE H 1 45 ILE MG . . 3.300 2.813 2.637 2.910 . 0 0 "[ . 1 . 2]" 1
920 1 45 ILE H 1 46 ARG H . . 3.700 3.214 2.443 3.360 . 0 0 "[ . 1 . 2]" 1
921 1 45 ILE H 1 48 ALA MB . . 5.500 5.314 4.924 5.521 0.021 5 0 "[ . 1 . 2]" 1
922 1 45 ILE HA 1 45 ILE MD . . 4.200 4.234 4.200 4.253 0.053 9 0 "[ . 1 . 2]" 1
923 1 45 ILE HA 1 45 ILE MG . . 3.600 2.107 2.065 2.197 . 0 0 "[ . 1 . 2]" 1
924 1 45 ILE HA 1 47 ASP H . . 4.700 3.882 3.769 4.114 . 0 0 "[ . 1 . 2]" 1
925 1 45 ILE HA 1 48 ALA MB . . 5.500 3.235 2.886 3.625 . 0 0 "[ . 1 . 2]" 1
926 1 45 ILE HB 1 45 ILE MD . . 3.600 2.303 2.200 2.404 . 0 0 "[ . 1 . 2]" 1
927 1 45 ILE HB 1 46 ARG H . . 2.900 2.731 2.503 3.197 0.297 20 0 "[ . 1 . 2]" 1
928 1 45 ILE HB 1 47 ASP H . . 2.900 2.886 2.484 3.025 0.125 1 0 "[ . 1 . 2]" 1
929 1 45 ILE HB 1 47 ASP HA . . 5.500 5.167 4.726 5.411 . 0 0 "[ . 1 . 2]" 1
930 1 45 ILE HB 1 48 ALA H . . 3.700 2.991 2.524 3.559 . 0 0 "[ . 1 . 2]" 1
931 1 45 ILE HB 1 48 ALA HA . . 5.500 4.858 4.610 5.007 . 0 0 "[ . 1 . 2]" 1
932 1 45 ILE MD 1 46 ARG H . . 4.400 3.267 3.041 4.086 . 0 0 "[ . 1 . 2]" 1
933 1 45 ILE MD 1 48 ALA H . . 4.500 4.394 3.690 4.490 . 0 0 "[ . 1 . 2]" 1
934 1 45 ILE MD 1 48 ALA MB . . 4.200 4.034 3.699 4.263 0.063 14 0 "[ . 1 . 2]" 1
935 1 45 ILE MD 1 51 ALA H . . 5.400 4.550 3.969 5.067 . 0 0 "[ . 1 . 2]" 1
936 1 45 ILE HG12 1 45 ILE MG . . 3.300 2.274 2.209 2.358 . 0 0 "[ . 1 . 2]" 1
937 1 45 ILE HG12 1 46 ARG H . . 4.600 3.617 3.407 3.851 . 0 0 "[ . 1 . 2]" 1
938 1 45 ILE HG12 1 51 ALA H . . 5.500 5.501 5.338 5.554 0.054 16 0 "[ . 1 . 2]" 1
939 1 45 ILE HG13 1 46 ARG H . . 2.600 2.085 1.858 2.610 0.010 20 0 "[ . 1 . 2]" 1
940 1 45 ILE MG 1 46 ARG H . . 4.000 3.972 3.890 4.052 0.052 12 0 "[ . 1 . 2]" 1
941 1 45 ILE MG 1 46 ARG HA . . 5.500 5.563 5.483 5.628 0.128 16 0 "[ . 1 . 2]" 1
942 1 45 ILE MG 1 47 ASP H . . 4.100 4.175 4.120 4.214 0.114 15 0 "[ . 1 . 2]" 1
943 1 45 ILE MG 1 48 ALA H . . 4.200 3.713 3.407 4.278 0.078 16 0 "[ . 1 . 2]" 1
944 1 45 ILE MG 1 48 ALA HA . . 5.400 4.595 4.384 4.704 . 0 0 "[ . 1 . 2]" 1
945 1 45 ILE MG 1 48 ALA MB . . 3.700 2.177 2.017 2.300 . 0 0 "[ . 1 . 2]" 1
946 1 45 ILE MG 1 49 ARG HA . . 5.500 4.481 4.257 4.792 . 0 0 "[ . 1 . 2]" 1
947 1 45 ILE MG 1 50 TYR HA . . 4.300 3.647 3.290 3.927 . 0 0 "[ . 1 . 2]" 1
948 1 45 ILE MG 1 50 TYR QB . . 5.300 4.883 4.607 5.146 . 0 0 "[ . 1 . 2]" 1
949 1 46 ARG H 1 46 ARG QD . . 5.000 3.722 2.664 4.802 . 0 0 "[ . 1 . 2]" 1
950 1 46 ARG H 1 46 ARG QG . . 4.100 3.032 2.087 4.143 0.043 11 0 "[ . 1 . 2]" 1
951 1 46 ARG H 1 48 ALA H . . 4.800 4.350 3.750 4.866 0.066 16 0 "[ . 1 . 2]" 1
952 1 46 ARG HA 1 46 ARG QD . . 4.100 3.149 2.131 4.033 . 0 0 "[ . 1 . 2]" 1
953 1 46 ARG HA 1 46 ARG QG . . 3.600 2.857 2.359 3.598 . 0 0 "[ . 1 . 2]" 1
954 1 46 ARG HA 1 47 ASP H . . 3.300 3.301 3.125 3.383 0.083 15 0 "[ . 1 . 2]" 1
955 1 46 ARG QB 1 46 ARG QD . . 3.200 2.321 2.049 2.957 . 0 0 "[ . 1 . 2]" 1
956 1 46 ARG QB 1 47 ASP HA . . 5.300 4.710 4.467 5.161 . 0 0 "[ . 1 . 2]" 1
957 1 46 ARG QD 1 47 ASP H . . 5.200 4.759 2.953 5.221 0.021 19 0 "[ . 1 . 2]" 1
958 1 46 ARG QG 1 47 ASP H . . 4.800 4.329 3.646 4.665 . 0 0 "[ . 1 . 2]" 1
959 1 47 ASP H 1 47 ASP QB . . 3.000 2.814 2.562 3.033 0.033 14 0 "[ . 1 . 2]" 1
960 1 47 ASP H 1 48 ALA H . . 3.400 1.891 1.795 2.305 . 0 0 "[ . 1 . 2]" 1
961 1 47 ASP H 1 48 ALA MB . . 4.600 3.538 3.055 3.677 . 0 0 "[ . 1 . 2]" 1
962 1 47 ASP HA 1 48 ALA MB . . 5.000 4.985 4.675 5.062 0.062 14 0 "[ . 1 . 2]" 1
963 1 47 ASP QB 1 48 ALA H . . 3.400 2.788 2.198 3.458 0.058 9 0 "[ . 1 . 2]" 1
964 1 47 ASP QB 1 48 ALA HA . . 4.800 4.188 3.889 4.387 . 0 0 "[ . 1 . 2]" 1
965 1 47 ASP QB 1 48 ALA MB . . 4.600 3.825 3.430 3.995 . 0 0 "[ . 1 . 2]" 1
966 1 48 ALA H 1 48 ALA MB . . 3.000 2.245 2.075 2.638 . 0 0 "[ . 1 . 2]" 1
967 1 48 ALA HA 1 49 ARG H . . 3.100 2.261 2.163 2.372 . 0 0 "[ . 1 . 2]" 1
968 1 48 ALA HA 1 49 ARG QB . . 5.300 4.089 3.984 4.179 . 0 0 "[ . 1 . 2]" 1
969 1 48 ALA HA 1 86 VAL QG . . 4.400 3.621 2.790 4.026 . 0 0 "[ . 1 . 2]" 1
970 1 48 ALA HA 1 88 GLU HA . . 5.500 4.984 4.402 5.526 0.026 17 0 "[ . 1 . 2]" 1
971 1 48 ALA HA 1 88 GLU HB2 . . 5.500 4.995 4.135 5.503 0.003 13 0 "[ . 1 . 2]" 1
972 1 48 ALA HA 1 88 GLU HB3 . . 5.500 4.312 3.147 5.335 . 0 0 "[ . 1 . 2]" 1
973 1 48 ALA HA 1 88 GLU QG . . 4.900 3.322 2.547 4.423 . 0 0 "[ . 1 . 2]" 1
974 1 48 ALA MB 1 49 ARG H . . 3.600 2.784 2.453 3.437 . 0 0 "[ . 1 . 2]" 1
975 1 48 ALA MB 1 50 TYR H . . 4.000 3.335 2.886 3.900 . 0 0 "[ . 1 . 2]" 1
976 1 48 ALA MB 1 86 VAL HA . . 5.500 4.124 3.420 4.623 . 0 0 "[ . 1 . 2]" 1
977 1 48 ALA MB 1 86 VAL HB . . 4.100 4.151 4.046 4.197 0.097 20 0 "[ . 1 . 2]" 1
978 1 48 ALA MB 1 86 VAL QG . . 3.800 1.900 1.806 2.018 . 0 0 "[ . 1 . 2]" 1
979 1 48 ALA MB 1 87 GLU H . . 4.500 3.656 3.288 4.207 . 0 0 "[ . 1 . 2]" 1
980 1 48 ALA MB 1 88 GLU QG . . 4.800 3.358 2.572 4.758 . 0 0 "[ . 1 . 2]" 1
981 1 49 ARG H 1 49 ARG QB . . 3.400 2.158 2.047 2.272 . 0 0 "[ . 1 . 2]" 1
982 1 49 ARG H 1 49 ARG QD . . 4.900 3.944 3.634 4.424 . 0 0 "[ . 1 . 2]" 1
983 1 49 ARG H 1 49 ARG HG2 . . 5.500 4.491 4.224 4.705 . 0 0 "[ . 1 . 2]" 1
984 1 49 ARG H 1 50 TYR H . . 3.800 2.784 2.393 3.128 . 0 0 "[ . 1 . 2]" 1
985 1 49 ARG H 1 88 GLU HA . . 5.000 3.302 2.948 3.749 . 0 0 "[ . 1 . 2]" 1
986 1 49 ARG H 1 89 PRO QD . . 5.100 3.888 3.482 4.491 . 0 0 "[ . 1 . 2]" 1
987 1 49 ARG HA 1 49 ARG QD . . 3.300 2.233 2.136 3.341 0.041 16 0 "[ . 1 . 2]" 1
988 1 49 ARG HA 1 50 TYR HA . . 4.700 4.626 4.573 4.684 . 0 0 "[ . 1 . 2]" 1
989 1 49 ARG HA 1 88 GLU HA . . 5.500 5.114 4.890 5.246 . 0 0 "[ . 1 . 2]" 1
990 1 49 ARG QB 1 50 TYR H . . 3.500 2.454 2.336 2.666 . 0 0 "[ . 1 . 2]" 1
991 1 49 ARG QB 1 88 GLU HA . . 4.200 2.315 2.221 2.388 . 0 0 "[ . 1 . 2]" 1
992 1 49 ARG QB 1 89 PRO QD . . 4.700 2.337 2.112 2.535 . 0 0 "[ . 1 . 2]" 1
993 1 49 ARG HB2 1 50 TYR H . . 4.200 3.332 2.905 3.723 . 0 0 "[ . 1 . 2]" 1
994 1 49 ARG HB2 1 88 GLU HA . . 4.800 2.577 2.330 3.028 . 0 0 "[ . 1 . 2]" 1
995 1 49 ARG HB3 1 50 TYR H . . 4.200 2.546 2.367 2.786 . 0 0 "[ . 1 . 2]" 1
996 1 49 ARG HB3 1 88 GLU HA . . 4.800 2.964 2.285 3.592 . 0 0 "[ . 1 . 2]" 1
997 1 49 ARG HG2 1 50 TYR H . . 5.300 4.816 4.565 5.131 . 0 0 "[ . 1 . 2]" 1
998 1 49 ARG HG3 1 50 TYR H . . 4.700 4.458 4.007 4.728 0.028 3 0 "[ . 1 . 2]" 1
999 1 49 ARG HG3 1 65 THR H . . 5.500 5.281 4.726 5.528 0.028 14 0 "[ . 1 . 2]" 1
1000 1 50 TYR H 1 50 TYR HB2 . . 4.100 2.758 2.664 2.841 . 0 0 "[ . 1 . 2]" 1
1001 1 50 TYR H 1 50 TYR QB . . 3.400 2.692 2.607 2.766 . 0 0 "[ . 1 . 2]" 1
1002 1 50 TYR H 1 50 TYR HB3 . . 4.100 3.758 3.705 3.801 . 0 0 "[ . 1 . 2]" 1
1003 1 50 TYR H 1 50 TYR QR . . 4.600 3.302 3.255 3.364 . 0 0 "[ . 1 . 2]" 1
1004 1 50 TYR H 1 51 ALA H . . 4.700 4.468 4.318 4.577 . 0 0 "[ . 1 . 2]" 1
1005 1 50 TYR H 1 64 GLY QA . . 5.300 5.299 5.196 5.344 0.044 19 0 "[ . 1 . 2]" 1
1006 1 50 TYR H 1 65 THR H . . 5.500 5.563 5.550 5.579 0.079 11 0 "[ . 1 . 2]" 1
1007 1 50 TYR H 1 86 VAL HA . . 5.500 5.004 4.732 5.193 . 0 0 "[ . 1 . 2]" 1
1008 1 50 TYR H 1 86 VAL QG . . 3.700 3.738 3.588 3.764 0.064 2 0 "[ . 1 . 2]" 1
1009 1 50 TYR H 1 87 GLU H . . 4.000 3.192 3.003 3.426 . 0 0 "[ . 1 . 2]" 1
1010 1 50 TYR H 1 88 GLU HA . . 5.500 3.796 3.643 3.933 . 0 0 "[ . 1 . 2]" 1
1011 1 50 TYR H 1 88 GLU QB . . 5.300 4.613 3.427 5.361 0.061 1 0 "[ . 1 . 2]" 1
1012 1 50 TYR H 1 88 GLU QG . . 5.500 4.476 3.879 5.296 . 0 0 "[ . 1 . 2]" 1
1013 1 50 TYR HA 1 50 TYR QR . . 3.800 2.516 2.421 2.634 . 0 0 "[ . 1 . 2]" 1
1014 1 50 TYR HA 1 51 ALA H . . 2.900 2.282 2.217 2.406 . 0 0 "[ . 1 . 2]" 1
1015 1 50 TYR HA 1 51 ALA MB . . 4.700 4.166 4.120 4.215 . 0 0 "[ . 1 . 2]" 1
1016 1 50 TYR HA 1 63 VAL H . . 5.500 4.447 4.293 4.824 . 0 0 "[ . 1 . 2]" 1
1017 1 50 TYR HA 1 64 GLY H . . 5.200 4.818 4.619 4.943 . 0 0 "[ . 1 . 2]" 1
1018 1 50 TYR HA 1 64 GLY HA2 . . 4.900 4.745 4.531 4.823 . 0 0 "[ . 1 . 2]" 1
1019 1 50 TYR HA 1 64 GLY QA . . 4.000 3.069 2.836 3.149 . 0 0 "[ . 1 . 2]" 1
1020 1 50 TYR HA 1 64 GLY HA3 . . 4.900 3.108 2.865 3.192 . 0 0 "[ . 1 . 2]" 1
1021 1 50 TYR HA 1 65 THR H . . 4.000 3.654 3.450 3.814 . 0 0 "[ . 1 . 2]" 1
1022 1 50 TYR QB 1 51 ALA H . . 4.000 3.292 2.980 3.507 . 0 0 "[ . 1 . 2]" 1
1023 1 50 TYR QB 1 65 THR H . . 3.900 3.108 2.804 3.403 . 0 0 "[ . 1 . 2]" 1
1024 1 50 TYR QB 1 66 LYS HA . . 4.400 4.409 4.223 4.439 0.039 9 0 "[ . 1 . 2]" 1
1025 1 50 TYR QB 1 67 PRO HD2 . . 5.000 4.763 4.523 5.048 0.048 15 0 "[ . 1 . 2]" 1
1026 1 50 TYR QB 1 67 PRO HD3 . . 3.900 3.356 3.178 3.655 . 0 0 "[ . 1 . 2]" 1
1027 1 50 TYR QB 1 67 PRO QG . . 4.800 3.927 3.633 4.762 . 0 0 "[ . 1 . 2]" 1
1028 1 50 TYR QB 1 87 GLU H . . 3.800 3.090 2.858 3.284 . 0 0 "[ . 1 . 2]" 1
1029 1 50 TYR QB 1 87 GLU QB . . 3.800 2.312 2.224 2.422 . 0 0 "[ . 1 . 2]" 1
1030 1 50 TYR HB2 1 51 ALA H . . 4.600 4.091 3.826 4.235 . 0 0 "[ . 1 . 2]" 1
1031 1 50 TYR HB2 1 67 PRO HD3 . . 4.500 3.812 3.593 4.067 . 0 0 "[ . 1 . 2]" 1
1032 1 50 TYR HB3 1 51 ALA H . . 4.600 3.473 3.109 3.743 . 0 0 "[ . 1 . 2]" 1
1033 1 50 TYR HB3 1 67 PRO HD3 . . 4.500 3.729 3.541 4.140 . 0 0 "[ . 1 . 2]" 1
1034 1 50 TYR QR 1 51 ALA H . . 4.700 4.494 4.378 4.689 . 0 0 "[ . 1 . 2]" 1
1035 1 50 TYR QR 1 64 GLY H . . 5.300 4.737 4.585 4.965 . 0 0 "[ . 1 . 2]" 1
1036 1 50 TYR QR 1 64 GLY QA . . 4.600 2.169 2.056 2.339 . 0 0 "[ . 1 . 2]" 1
1037 1 50 TYR QR 1 65 THR H . . 4.100 1.909 1.813 2.014 . 0 0 "[ . 1 . 2]" 1
1038 1 50 TYR QR 1 65 THR HA . . 4.600 4.142 4.065 4.281 . 0 0 "[ . 1 . 2]" 1
1039 1 50 TYR QR 1 66 LYS H . . 4.900 4.946 4.912 4.983 0.083 17 0 "[ . 1 . 2]" 1
1040 1 50 TYR QR 1 66 LYS HA . . 4.500 4.475 4.442 4.500 0.000 18 0 "[ . 1 . 2]" 1
1041 1 50 TYR QR 1 67 PRO HD2 . . 4.700 4.407 4.304 4.585 . 0 0 "[ . 1 . 2]" 1
1042 1 50 TYR QR 1 67 PRO HD3 . . 4.600 2.991 2.863 3.129 . 0 0 "[ . 1 . 2]" 1
1043 1 50 TYR QR 1 87 GLU H . . 4.600 4.278 4.124 4.431 . 0 0 "[ . 1 . 2]" 1
1044 1 50 TYR QR 1 87 GLU HB2 . . 4.300 2.387 2.283 2.485 . 0 0 "[ . 1 . 2]" 1
1045 1 50 TYR QR 1 87 GLU HB3 . . 4.300 2.998 2.821 3.099 . 0 0 "[ . 1 . 2]" 1
1046 1 51 ALA H 1 51 ALA MB . . 3.500 2.403 2.328 2.522 . 0 0 "[ . 1 . 2]" 1
1047 1 51 ALA H 1 62 GLU HA . . 5.500 4.989 4.852 5.205 . 0 0 "[ . 1 . 2]" 1
1048 1 51 ALA H 1 63 VAL H . . 3.700 3.110 2.956 3.342 . 0 0 "[ . 1 . 2]" 1
1049 1 51 ALA H 1 63 VAL HA . . 5.000 4.601 4.548 4.724 . 0 0 "[ . 1 . 2]" 1
1050 1 51 ALA H 1 63 VAL HB . . 4.800 1.829 1.770 2.010 . 0 0 "[ . 1 . 2]" 1
1051 1 51 ALA H 1 63 VAL MG1 . . 4.600 3.251 3.053 3.360 . 0 0 "[ . 1 . 2]" 1
1052 1 51 ALA H 1 63 VAL QG . . 3.600 2.908 2.816 3.038 . 0 0 "[ . 1 . 2]" 1
1053 1 51 ALA H 1 63 VAL MG2 . . 4.600 3.287 3.046 3.603 . 0 0 "[ . 1 . 2]" 1
1054 1 51 ALA H 1 64 GLY QA . . 4.500 4.435 4.079 4.494 . 0 0 "[ . 1 . 2]" 1
1055 1 51 ALA HA 1 52 VAL H . . 2.800 2.272 2.164 2.419 . 0 0 "[ . 1 . 2]" 1
1056 1 51 ALA HA 1 52 VAL HB . . 5.300 4.290 4.035 4.491 . 0 0 "[ . 1 . 2]" 1
1057 1 51 ALA HA 1 63 VAL HB . . 5.500 4.400 4.221 4.496 . 0 0 "[ . 1 . 2]" 1
1058 1 51 ALA HA 1 63 VAL QG . . 4.700 4.320 4.211 4.389 . 0 0 "[ . 1 . 2]" 1
1059 1 51 ALA HA 1 85 LEU H . . 5.500 5.082 4.854 5.246 . 0 0 "[ . 1 . 2]" 1
1060 1 51 ALA HA 1 86 VAL H . . 5.400 5.120 4.958 5.283 . 0 0 "[ . 1 . 2]" 1
1061 1 51 ALA HA 1 86 VAL HA . . 3.500 2.455 2.301 2.672 . 0 0 "[ . 1 . 2]" 1
1062 1 51 ALA HA 1 86 VAL HB . . 5.500 5.078 3.817 5.500 . 0 0 "[ . 1 . 2]" 1
1063 1 51 ALA HA 1 86 VAL QG . . 5.200 2.864 2.527 3.225 . 0 0 "[ . 1 . 2]" 1
1064 1 51 ALA HA 1 87 GLU H . . 3.900 3.592 3.414 3.752 . 0 0 "[ . 1 . 2]" 1
1065 1 51 ALA MB 1 52 VAL H . . 3.400 2.866 2.759 3.032 . 0 0 "[ . 1 . 2]" 1
1066 1 51 ALA MB 1 53 ILE H . . 5.500 5.504 5.348 5.527 0.027 15 0 "[ . 1 . 2]" 1
1067 1 51 ALA MB 1 62 GLU HA . . 5.500 5.035 4.885 5.164 . 0 0 "[ . 1 . 2]" 1
1068 1 51 ALA MB 1 63 VAL HB . . 3.400 2.549 2.325 2.779 . 0 0 "[ . 1 . 2]" 1
1069 1 51 ALA MB 1 86 VAL HA . . 4.300 3.850 3.557 4.073 . 0 0 "[ . 1 . 2]" 1
1070 1 52 VAL H 1 52 VAL HB . . 3.600 2.682 2.569 2.763 . 0 0 "[ . 1 . 2]" 1
1071 1 52 VAL H 1 52 VAL MG1 . . 4.000 3.890 3.792 3.946 . 0 0 "[ . 1 . 2]" 1
1072 1 52 VAL H 1 52 VAL MG2 . . 4.000 3.065 2.874 3.241 . 0 0 "[ . 1 . 2]" 1
1073 1 52 VAL H 1 53 ILE H . . 4.800 4.427 4.242 4.657 . 0 0 "[ . 1 . 2]" 1
1074 1 52 VAL H 1 53 ILE MD . . 5.200 5.223 4.818 5.291 0.091 11 0 "[ . 1 . 2]" 1
1075 1 52 VAL H 1 53 ILE HG12 . . 5.400 4.632 4.285 4.796 . 0 0 "[ . 1 . 2]" 1
1076 1 52 VAL H 1 85 LEU H . . 4.100 3.212 2.997 3.423 . 0 0 "[ . 1 . 2]" 1
1077 1 52 VAL H 1 85 LEU QB . . 4.100 3.656 3.283 3.973 . 0 0 "[ . 1 . 2]" 1
1078 1 52 VAL H 1 86 VAL HA . . 4.300 3.385 3.236 3.601 . 0 0 "[ . 1 . 2]" 1
1079 1 52 VAL HA 1 53 ILE H . . 3.000 2.198 2.056 2.382 . 0 0 "[ . 1 . 2]" 1
1080 1 52 VAL HA 1 62 GLU H . . 5.400 4.917 4.835 5.041 . 0 0 "[ . 1 . 2]" 1
1081 1 52 VAL HA 1 62 GLU HA . . 3.800 2.441 2.307 2.514 . 0 0 "[ . 1 . 2]" 1
1082 1 52 VAL HA 1 63 VAL H . . 3.900 3.473 3.343 3.578 . 0 0 "[ . 1 . 2]" 1
1083 1 52 VAL HB 1 85 LEU H . . 5.500 3.726 3.504 4.046 . 0 0 "[ . 1 . 2]" 1
1084 1 52 VAL HB 1 85 LEU HA . . 5.500 4.716 4.481 5.040 . 0 0 "[ . 1 . 2]" 1
1085 1 52 VAL HB 1 85 LEU QB . . 5.300 2.165 2.110 2.225 . 0 0 "[ . 1 . 2]" 1
1086 1 52 VAL QG 1 61 VAL H . . 5.400 4.234 3.911 4.762 . 0 0 "[ . 1 . 2]" 1
1087 1 52 VAL QG 1 62 GLU HA . . 3.600 2.398 2.274 2.683 . 0 0 "[ . 1 . 2]" 1
1088 1 52 VAL QG 1 62 GLU QB . . 4.200 2.654 2.130 2.912 . 0 0 "[ . 1 . 2]" 1
1089 1 52 VAL QG 1 62 GLU QG . . 4.000 2.094 1.950 3.771 . 0 0 "[ . 1 . 2]" 1
1090 1 52 VAL QG 1 63 VAL H . . 4.800 3.231 3.097 3.380 . 0 0 "[ . 1 . 2]" 1
1091 1 52 VAL QG 1 67 PRO HD2 . . 5.400 4.120 3.761 4.449 . 0 0 "[ . 1 . 2]" 1
1092 1 52 VAL QG 1 67 PRO HD3 . . 5.400 3.913 3.696 4.195 . 0 0 "[ . 1 . 2]" 1
1093 1 52 VAL QG 1 85 LEU QB . . 3.400 2.617 2.257 2.929 . 0 0 "[ . 1 . 2]" 1
1094 1 52 VAL MG1 1 53 ILE H . . 4.000 2.462 2.371 2.636 . 0 0 "[ . 1 . 2]" 1
1095 1 52 VAL MG1 1 62 GLU HA . . 5.000 3.454 3.230 3.790 . 0 0 "[ . 1 . 2]" 1
1096 1 52 VAL MG1 1 62 GLU QG . . 5.200 2.310 2.121 4.274 . 0 0 "[ . 1 . 2]" 1
1097 1 52 VAL MG2 1 53 ILE H . . 4.000 3.856 3.757 3.977 . 0 0 "[ . 1 . 2]" 1
1098 1 52 VAL MG2 1 62 GLU HA . . 5.000 2.447 2.311 2.749 . 0 0 "[ . 1 . 2]" 1
1099 1 52 VAL MG2 1 62 GLU QG . . 5.200 2.402 2.245 4.195 . 0 0 "[ . 1 . 2]" 1
1100 1 53 ILE H 1 53 ILE HB . . 3.200 2.280 2.079 2.344 . 0 0 "[ . 1 . 2]" 1
1101 1 53 ILE H 1 53 ILE MD . . 4.500 4.247 3.896 4.331 . 0 0 "[ . 1 . 2]" 1
1102 1 53 ILE H 1 53 ILE HG12 . . 4.200 3.544 2.908 3.807 . 0 0 "[ . 1 . 2]" 1
1103 1 53 ILE H 1 53 ILE HG13 . . 4.500 4.394 3.911 4.575 0.075 6 0 "[ . 1 . 2]" 1
1104 1 53 ILE H 1 60 VAL HA . . 4.800 4.404 4.088 4.805 0.005 8 0 "[ . 1 . 2]" 1
1105 1 53 ILE H 1 60 VAL QG . . 3.600 3.076 2.725 3.562 . 0 0 "[ . 1 . 2]" 1
1106 1 53 ILE H 1 61 VAL H . . 3.600 3.032 2.584 3.498 . 0 0 "[ . 1 . 2]" 1
1107 1 53 ILE H 1 61 VAL HA . . 5.500 4.878 4.744 5.026 . 0 0 "[ . 1 . 2]" 1
1108 1 53 ILE H 1 61 VAL QG . . 5.400 3.894 3.215 4.143 . 0 0 "[ . 1 . 2]" 1
1109 1 53 ILE H 1 62 GLU HA . . 4.600 3.719 3.361 3.993 . 0 0 "[ . 1 . 2]" 1
1110 1 53 ILE H 1 62 GLU QG . . 5.500 3.737 2.849 5.475 . 0 0 "[ . 1 . 2]" 1
1111 1 53 ILE H 1 63 VAL H . . 5.500 5.243 4.865 5.535 0.035 15 0 "[ . 1 . 2]" 1
1112 1 53 ILE HA 1 53 ILE MD . . 4.100 2.038 1.985 2.073 . 0 0 "[ . 1 . 2]" 1
1113 1 53 ILE HA 1 53 ILE MG . . 3.200 2.942 2.691 3.035 . 0 0 "[ . 1 . 2]" 1
1114 1 53 ILE HA 1 54 ARG H . . 2.900 2.078 2.052 2.186 . 0 0 "[ . 1 . 2]" 1
1115 1 53 ILE HA 1 84 VAL HA . . 4.700 3.030 2.761 3.346 . 0 0 "[ . 1 . 2]" 1
1116 1 53 ILE HA 1 85 LEU H . . 4.700 3.686 3.469 3.926 . 0 0 "[ . 1 . 2]" 1
1117 1 53 ILE HB 1 53 ILE MD . . 3.500 3.255 3.233 3.265 . 0 0 "[ . 1 . 2]" 1
1118 1 53 ILE HB 1 61 VAL H . . 4.700 2.590 1.824 3.242 . 0 0 "[ . 1 . 2]" 1
1119 1 53 ILE MD 1 55 ILE H . . 3.900 3.916 3.886 3.932 0.032 8 0 "[ . 1 . 2]" 1
1120 1 53 ILE MD 1 58 GLN QG . . 5.500 5.087 4.897 5.475 . 0 0 "[ . 1 . 2]" 1
1121 1 53 ILE MD 1 60 VAL HA . . 5.500 5.529 5.513 5.587 0.087 15 0 "[ . 1 . 2]" 1
1122 1 53 ILE MD 1 84 VAL HA . . 4.200 2.818 2.201 3.554 . 0 0 "[ . 1 . 2]" 1
1123 1 53 ILE MD 1 85 LEU H . . 4.800 4.109 3.641 4.567 . 0 0 "[ . 1 . 2]" 1
1124 1 53 ILE HG13 1 53 ILE MG . . 3.500 2.309 2.255 2.406 . 0 0 "[ . 1 . 2]" 1
1125 1 53 ILE MG 1 54 ARG H . . 3.200 3.089 2.777 3.211 0.011 11 0 "[ . 1 . 2]" 1
1126 1 53 ILE MG 1 55 ILE H . . 4.400 2.527 2.251 2.824 . 0 0 "[ . 1 . 2]" 1
1127 1 53 ILE MG 1 55 ILE HA . . 4.800 4.367 4.191 4.536 . 0 0 "[ . 1 . 2]" 1
1128 1 53 ILE MG 1 55 ILE QG . . 3.600 2.606 2.202 2.848 . 0 0 "[ . 1 . 2]" 1
1129 1 53 ILE MG 1 58 GLN QG . . 3.900 3.435 3.207 3.652 . 0 0 "[ . 1 . 2]" 1
1130 1 53 ILE MG 1 61 VAL H . . 3.700 2.209 1.913 2.830 . 0 0 "[ . 1 . 2]" 1
1131 1 53 ILE MG 1 83 THR H . . 5.200 5.039 4.722 5.265 0.065 10 0 "[ . 1 . 2]" 1
1132 1 54 ARG H 1 54 ARG QD . . 5.100 4.003 2.756 4.758 . 0 0 "[ . 1 . 2]" 1
1133 1 54 ARG H 1 54 ARG HG2 . . 5.000 3.494 2.562 4.852 . 0 0 "[ . 1 . 2]" 1
1134 1 54 ARG H 1 54 ARG QG . . 4.400 3.242 2.530 4.374 . 0 0 "[ . 1 . 2]" 1
1135 1 54 ARG H 1 54 ARG HG3 . . 5.000 4.245 3.917 5.053 0.053 16 0 "[ . 1 . 2]" 1
1136 1 54 ARG H 1 55 ILE H . . 4.200 3.548 2.607 3.906 . 0 0 "[ . 1 . 2]" 1
1137 1 54 ARG H 1 55 ILE HA . . 4.900 4.732 4.486 4.868 . 0 0 "[ . 1 . 2]" 1
1138 1 54 ARG H 1 61 VAL H . . 5.500 5.488 5.366 5.560 0.060 8 0 "[ . 1 . 2]" 1
1139 1 54 ARG H 1 82 GLU HB2 . . 5.000 4.824 4.547 5.018 0.018 15 0 "[ . 1 . 2]" 1
1140 1 54 ARG H 1 83 THR H . . 4.200 3.703 3.371 3.991 . 0 0 "[ . 1 . 2]" 1
1141 1 54 ARG H 1 83 THR HB . . 5.400 4.025 3.732 4.234 . 0 0 "[ . 1 . 2]" 1
1142 1 54 ARG H 1 83 THR MG . . 4.900 3.915 3.502 4.368 . 0 0 "[ . 1 . 2]" 1
1143 1 54 ARG H 1 84 VAL HA . . 4.100 3.360 3.056 3.711 . 0 0 "[ . 1 . 2]" 1
1144 1 54 ARG HA 1 55 ILE H . . 3.300 2.363 2.193 3.271 . 0 0 "[ . 1 . 2]" 1
1145 1 54 ARG HA 1 60 VAL HA . . 4.800 3.767 3.409 4.003 . 0 0 "[ . 1 . 2]" 1
1146 1 54 ARG HA 1 60 VAL QG . . 5.200 3.545 2.477 4.148 . 0 0 "[ . 1 . 2]" 1
1147 1 54 ARG QB 1 54 ARG HD2 . . 3.800 2.796 2.456 3.532 . 0 0 "[ . 1 . 2]" 1
1148 1 54 ARG QB 1 54 ARG QD . . 3.200 2.540 2.253 2.927 . 0 0 "[ . 1 . 2]" 1
1149 1 54 ARG QB 1 54 ARG HD3 . . 3.800 3.037 2.339 3.598 . 0 0 "[ . 1 . 2]" 1
1150 1 54 ARG QB 1 55 ILE H . . 3.800 3.841 3.472 3.940 0.140 10 0 "[ . 1 . 2]" 1
1151 1 54 ARG QB 1 83 THR H . . 4.000 3.554 3.307 4.002 0.002 5 0 "[ . 1 . 2]" 1
1152 1 54 ARG QB 1 83 THR HA . . 5.100 4.492 4.351 4.802 . 0 0 "[ . 1 . 2]" 1
1153 1 54 ARG QB 1 83 THR HB . . 4.100 2.166 2.077 2.536 . 0 0 "[ . 1 . 2]" 1
1154 1 54 ARG QB 1 83 THR MG . . 3.300 2.556 2.347 3.240 . 0 0 "[ . 1 . 2]" 1
1155 1 54 ARG QD 1 55 ILE H . . 5.300 4.376 3.717 5.290 . 0 0 "[ . 1 . 2]" 1
1156 1 54 ARG QD 1 60 VAL QG . . 4.300 2.845 2.038 4.062 . 0 0 "[ . 1 . 2]" 1
1157 1 54 ARG QD 1 83 THR MG . . 4.600 4.455 3.143 4.609 0.009 7 0 "[ . 1 . 2]" 1
1158 1 54 ARG QG 1 60 VAL QG . . 5.300 3.751 2.448 5.033 . 0 0 "[ . 1 . 2]" 1
1159 1 55 ILE H 1 55 ILE HB . . 3.400 2.528 2.394 2.917 . 0 0 "[ . 1 . 2]" 1
1160 1 55 ILE H 1 55 ILE MD . . 4.400 3.554 3.268 3.694 . 0 0 "[ . 1 . 2]" 1
1161 1 55 ILE H 1 55 ILE QG . . 3.600 2.912 1.931 3.110 . 0 0 "[ . 1 . 2]" 1
1162 1 55 ILE H 1 55 ILE MG . . 3.900 3.828 3.728 3.860 . 0 0 "[ . 1 . 2]" 1
1163 1 55 ILE H 1 56 PRO QD . . 4.800 4.293 4.102 4.400 . 0 0 "[ . 1 . 2]" 1
1164 1 55 ILE H 1 58 GLN QG . . 4.400 3.608 3.180 4.437 0.037 15 0 "[ . 1 . 2]" 1
1165 1 55 ILE H 1 60 VAL HA . . 5.200 4.268 4.026 4.960 . 0 0 "[ . 1 . 2]" 1
1166 1 55 ILE HA 1 55 ILE MD . . 4.500 3.888 3.849 3.945 . 0 0 "[ . 1 . 2]" 1
1167 1 55 ILE HA 1 55 ILE HG12 . . 3.900 2.840 2.698 2.970 . 0 0 "[ . 1 . 2]" 1
1168 1 55 ILE HA 1 55 ILE HG13 . . 3.900 2.696 2.595 2.821 . 0 0 "[ . 1 . 2]" 1
1169 1 55 ILE HA 1 55 ILE MG . . 3.300 2.464 2.361 2.602 . 0 0 "[ . 1 . 2]" 1
1170 1 55 ILE HA 1 56 PRO HD2 . . 3.600 2.453 2.201 2.661 . 0 0 "[ . 1 . 2]" 1
1171 1 55 ILE HA 1 56 PRO QD . . 3.100 2.076 2.053 2.102 . 0 0 "[ . 1 . 2]" 1
1172 1 55 ILE HA 1 56 PRO HD3 . . 3.600 2.328 2.141 2.615 . 0 0 "[ . 1 . 2]" 1
1173 1 55 ILE HA 1 56 PRO QG . . 4.500 3.995 3.971 4.026 . 0 0 "[ . 1 . 2]" 1
1174 1 55 ILE HA 1 82 GLU HA . . 3.800 2.776 2.585 3.013 . 0 0 "[ . 1 . 2]" 1
1175 1 55 ILE HA 1 82 GLU HB2 . . 4.000 2.275 2.218 2.441 . 0 0 "[ . 1 . 2]" 1
1176 1 55 ILE HA 1 82 GLU HB3 . . 4.500 3.114 2.862 3.367 . 0 0 "[ . 1 . 2]" 1
1177 1 55 ILE HA 1 83 THR H . . 3.800 3.003 2.621 3.356 . 0 0 "[ . 1 . 2]" 1
1178 1 55 ILE HB 1 55 ILE MD . . 3.500 2.268 2.176 2.355 . 0 0 "[ . 1 . 2]" 1
1179 1 55 ILE HB 1 58 GLN H . . 5.100 4.171 3.986 4.408 . 0 0 "[ . 1 . 2]" 1
1180 1 55 ILE HB 1 58 GLN HB2 . . 4.900 4.903 4.872 4.915 0.015 5 0 "[ . 1 . 2]" 1
1181 1 55 ILE HB 1 58 GLN HB3 . . 4.400 4.473 4.461 4.485 0.085 1 0 "[ . 1 . 2]" 1
1182 1 55 ILE HB 1 58 GLN HE22 . . 5.500 4.252 3.741 4.651 . 0 0 "[ . 1 . 2]" 1
1183 1 55 ILE HB 1 58 GLN QG . . 3.700 2.072 2.038 2.141 . 0 0 "[ . 1 . 2]" 1
1184 1 55 ILE MD 1 58 GLN HE22 . . 4.900 3.045 2.645 3.238 . 0 0 "[ . 1 . 2]" 1
1185 1 55 ILE MD 1 58 GLN QG . . 3.900 3.081 2.840 3.404 . 0 0 "[ . 1 . 2]" 1
1186 1 55 ILE MD 1 82 GLU HB2 . . 3.700 3.741 3.687 3.769 0.069 5 0 "[ . 1 . 2]" 1
1187 1 55 ILE MD 1 82 GLU HB3 . . 4.200 4.128 4.014 4.219 0.019 8 0 "[ . 1 . 2]" 1
1188 1 55 ILE MD 1 82 GLU QG . . 4.100 3.410 3.163 3.758 . 0 0 "[ . 1 . 2]" 1
1189 1 55 ILE MD 1 83 THR H . . 5.000 4.949 4.739 5.036 0.036 15 0 "[ . 1 . 2]" 1
1190 1 55 ILE QG 1 55 ILE MG . . 3.200 2.198 2.179 2.239 . 0 0 "[ . 1 . 2]" 1
1191 1 55 ILE QG 1 58 GLN HE21 . . 5.300 4.888 4.594 5.072 . 0 0 "[ . 1 . 2]" 1
1192 1 55 ILE QG 1 58 GLN QG . . 5.200 4.013 3.908 4.087 . 0 0 "[ . 1 . 2]" 1
1193 1 55 ILE QG 1 82 GLU H . . 5.300 4.744 4.605 4.905 . 0 0 "[ . 1 . 2]" 1
1194 1 55 ILE QG 1 82 GLU HB2 . . 3.300 2.062 2.020 2.096 . 0 0 "[ . 1 . 2]" 1
1195 1 55 ILE QG 1 82 GLU HB3 . . 4.800 2.497 2.354 2.654 . 0 0 "[ . 1 . 2]" 1
1196 1 55 ILE QG 1 82 GLU QG . . 5.300 2.501 2.349 2.945 . 0 0 "[ . 1 . 2]" 1
1197 1 55 ILE QG 1 83 THR H . . 4.500 3.338 3.127 3.430 . 0 0 "[ . 1 . 2]" 1
1198 1 55 ILE HG12 1 82 GLU HA . . 5.400 4.201 4.070 4.388 . 0 0 "[ . 1 . 2]" 1
1199 1 55 ILE HG13 1 82 GLU HA . . 5.400 4.588 4.422 4.807 . 0 0 "[ . 1 . 2]" 1
1200 1 55 ILE MG 1 56 PRO HA . . 5.000 4.201 4.163 4.274 . 0 0 "[ . 1 . 2]" 1
1201 1 55 ILE MG 1 56 PRO HD2 . . 3.600 2.451 2.192 2.774 . 0 0 "[ . 1 . 2]" 1
1202 1 55 ILE MG 1 56 PRO HD3 . . 3.600 3.573 3.446 3.644 0.044 11 0 "[ . 1 . 2]" 1
1203 1 55 ILE MG 1 56 PRO QG . . 5.000 3.851 3.187 4.356 . 0 0 "[ . 1 . 2]" 1
1204 1 55 ILE MG 1 57 GLY H . . 4.800 4.720 4.649 4.814 0.014 14 0 "[ . 1 . 2]" 1
1205 1 55 ILE MG 1 58 GLN H . . 3.500 3.488 3.480 3.496 . 0 0 "[ . 1 . 2]" 1
1206 1 55 ILE MG 1 58 GLN HE21 . . 4.200 2.738 2.313 4.180 . 0 0 "[ . 1 . 2]" 1
1207 1 55 ILE MG 1 58 GLN HE22 . . 4.300 3.082 2.668 4.078 . 0 0 "[ . 1 . 2]" 1
1208 1 55 ILE MG 1 58 GLN QG . . 3.400 2.341 2.198 2.538 . 0 0 "[ . 1 . 2]" 1
1209 1 55 ILE MG 1 82 GLU HA . . 4.200 3.764 3.393 4.200 0.000 11 0 "[ . 1 . 2]" 1
1210 1 56 PRO HA 1 57 GLY H . . 2.700 2.185 2.136 2.245 . 0 0 "[ . 1 . 2]" 1
1211 1 56 PRO HA 1 58 GLN H . . 4.500 3.644 3.541 3.717 . 0 0 "[ . 1 . 2]" 1
1212 1 56 PRO HB2 1 57 GLY H . . 3.900 3.723 3.389 3.924 0.024 20 0 "[ . 1 . 2]" 1
1213 1 56 PRO HB2 1 57 GLY QA . . 4.400 4.135 4.012 4.249 . 0 0 "[ . 1 . 2]" 1
1214 1 56 PRO HB3 1 57 GLY H . . 4.300 3.627 3.288 3.997 . 0 0 "[ . 1 . 2]" 1
1215 1 56 PRO QD 1 58 GLN H . . 5.300 5.225 5.191 5.270 . 0 0 "[ . 1 . 2]" 1
1216 1 56 PRO QD 1 82 GLU H . . 5.100 4.213 3.911 4.366 . 0 0 "[ . 1 . 2]" 1
1217 1 56 PRO QD 1 83 THR H . . 4.200 3.546 3.082 3.919 . 0 0 "[ . 1 . 2]" 1
1218 1 56 PRO HD2 1 82 GLU HA . . 3.100 2.570 2.311 2.861 . 0 0 "[ . 1 . 2]" 1
1219 1 56 PRO HD2 1 83 THR H . . 5.000 4.512 4.236 5.010 0.010 19 0 "[ . 1 . 2]" 1
1220 1 56 PRO HD3 1 82 GLU HA . . 3.100 2.350 2.215 2.473 . 0 0 "[ . 1 . 2]" 1
1221 1 56 PRO HD3 1 83 THR H . . 5.000 3.732 3.164 4.209 . 0 0 "[ . 1 . 2]" 1
1222 1 57 GLY H 1 58 GLN H . . 3.200 2.750 2.677 2.889 . 0 0 "[ . 1 . 2]" 1
1223 1 57 GLY H 1 58 GLN HB3 . . 5.500 5.524 5.512 5.535 0.035 5 0 "[ . 1 . 2]" 1
1224 1 57 GLY HA2 1 58 GLN H . . 3.500 3.364 3.336 3.387 . 0 0 "[ . 1 . 2]" 1
1225 1 57 GLY HA2 1 58 GLN QG . . 5.500 5.484 5.421 5.506 0.006 15 0 "[ . 1 . 2]" 1
1226 1 57 GLY HA3 1 58 GLN H . . 3.500 3.372 3.317 3.412 . 0 0 "[ . 1 . 2]" 1
1227 1 57 GLY HA3 1 58 GLN QG . . 5.500 4.984 4.894 5.051 . 0 0 "[ . 1 . 2]" 1
1228 1 58 GLN H 1 58 GLN HB3 . . 3.100 3.096 3.013 3.127 0.027 16 0 "[ . 1 . 2]" 1
1229 1 58 GLN H 1 58 GLN QG . . 2.700 2.592 2.521 2.667 . 0 0 "[ . 1 . 2]" 1
1230 1 58 GLN H 1 59 PRO HD2 . . 5.500 5.035 4.881 5.258 . 0 0 "[ . 1 . 2]" 1
1231 1 58 GLN H 1 59 PRO HD3 . . 5.500 5.001 4.784 5.198 . 0 0 "[ . 1 . 2]" 1
1232 1 58 GLN HA 1 58 GLN HE21 . . 5.500 4.813 4.538 5.521 0.021 18 0 "[ . 1 . 2]" 1
1233 1 58 GLN HA 1 58 GLN QG . . 3.800 3.370 3.353 3.398 . 0 0 "[ . 1 . 2]" 1
1234 1 58 GLN HA 1 59 PRO HD2 . . 3.300 2.733 2.496 3.181 . 0 0 "[ . 1 . 2]" 1
1235 1 58 GLN HA 1 59 PRO HD3 . . 2.900 2.368 2.048 2.622 . 0 0 "[ . 1 . 2]" 1
1236 1 58 GLN HA 1 59 PRO HG2 . . 4.900 4.710 4.655 4.746 . 0 0 "[ . 1 . 2]" 1
1237 1 58 GLN HA 1 59 PRO QG . . 4.200 4.108 3.837 4.203 0.003 15 0 "[ . 1 . 2]" 1
1238 1 58 GLN HA 1 59 PRO HG3 . . 4.900 4.548 4.068 4.771 . 0 0 "[ . 1 . 2]" 1
1239 1 58 GLN HB2 1 59 PRO HD2 . . 3.500 2.148 2.061 2.267 . 0 0 "[ . 1 . 2]" 1
1240 1 58 GLN HB2 1 59 PRO HD3 . . 3.900 3.248 2.583 3.565 . 0 0 "[ . 1 . 2]" 1
1241 1 58 GLN HB3 1 59 PRO HD2 . . 3.900 3.761 3.625 3.951 0.051 16 0 "[ . 1 . 2]" 1
1242 1 58 GLN HE21 1 59 PRO HD2 . . 5.500 5.360 4.122 5.531 0.031 6 0 "[ . 1 . 2]" 1
1243 1 58 GLN QG 1 59 PRO HD2 . . 3.900 3.338 3.181 3.578 . 0 0 "[ . 1 . 2]" 1
1244 1 58 GLN QG 1 61 VAL H . . 5.500 5.521 5.454 5.550 0.050 15 0 "[ . 1 . 2]" 1
1245 1 59 PRO HA 1 60 VAL H . . 2.800 2.212 2.149 2.445 . 0 0 "[ . 1 . 2]" 1
1246 1 59 PRO HA 1 60 VAL HA . . 4.500 4.443 4.391 4.484 . 0 0 "[ . 1 . 2]" 1
1247 1 59 PRO HA 1 60 VAL HB . . 5.000 4.661 4.377 4.883 . 0 0 "[ . 1 . 2]" 1
1248 1 59 PRO HA 1 60 VAL QG . . 3.900 3.682 3.512 3.813 . 0 0 "[ . 1 . 2]" 1
1249 1 59 PRO QB 1 60 VAL H . . 3.200 2.991 2.547 3.184 . 0 0 "[ . 1 . 2]" 1
1250 1 59 PRO QB 1 60 VAL QG . . 4.900 3.865 3.401 4.461 . 0 0 "[ . 1 . 2]" 1
1251 1 59 PRO HB2 1 60 VAL H . . 3.900 3.275 2.617 3.881 . 0 0 "[ . 1 . 2]" 1
1252 1 59 PRO HB3 1 60 VAL H . . 3.900 3.618 3.308 3.811 . 0 0 "[ . 1 . 2]" 1
1253 1 60 VAL H 1 60 VAL HB . . 2.900 2.566 2.225 2.866 . 0 0 "[ . 1 . 2]" 1
1254 1 60 VAL H 1 60 VAL MG1 . . 3.800 2.674 1.890 3.795 . 0 0 "[ . 1 . 2]" 1
1255 1 60 VAL H 1 60 VAL QG . . 3.100 2.070 1.885 2.570 . 0 0 "[ . 1 . 2]" 1
1256 1 60 VAL H 1 60 VAL MG2 . . 3.800 3.193 2.079 3.817 0.017 13 0 "[ . 1 . 2]" 1
1257 1 60 VAL H 1 61 VAL H . . 4.700 4.573 4.396 4.640 . 0 0 "[ . 1 . 2]" 1
1258 1 60 VAL HA 1 60 VAL MG1 . . 3.700 2.994 2.523 3.282 . 0 0 "[ . 1 . 2]" 1
1259 1 60 VAL HA 1 60 VAL MG2 . . 3.700 2.449 2.251 2.573 . 0 0 "[ . 1 . 2]" 1
1260 1 60 VAL HA 1 61 VAL H . . 2.800 2.115 2.053 2.217 . 0 0 "[ . 1 . 2]" 1
1261 1 60 VAL HA 1 61 VAL QG . . 3.800 3.763 3.693 3.787 . 0 0 "[ . 1 . 2]" 1
1262 1 60 VAL HB 1 61 VAL H . . 4.400 4.094 3.920 4.421 0.021 16 0 "[ . 1 . 2]" 1
1263 1 60 VAL QG 1 61 VAL H . . 3.600 2.599 2.401 3.055 . 0 0 "[ . 1 . 2]" 1
1264 1 60 VAL QG 1 62 GLU QG . . 3.900 2.288 2.101 3.198 . 0 0 "[ . 1 . 2]" 1
1265 1 60 VAL MG1 1 61 VAL H . . 4.200 3.589 2.460 4.216 0.016 5 0 "[ . 1 . 2]" 1
1266 1 60 VAL MG1 1 62 GLU QG . . 4.800 3.219 2.158 4.160 . 0 0 "[ . 1 . 2]" 1
1267 1 60 VAL MG2 1 61 VAL H . . 4.200 3.086 2.419 3.988 . 0 0 "[ . 1 . 2]" 1
1268 1 60 VAL MG2 1 62 GLU QG . . 4.800 3.270 2.109 4.767 . 0 0 "[ . 1 . 2]" 1
1269 1 61 VAL H 1 61 VAL HB . . 3.000 2.727 2.556 3.085 0.085 18 0 "[ . 1 . 2]" 1
1270 1 61 VAL H 1 61 VAL QG . . 3.000 2.680 2.214 2.895 . 0 0 "[ . 1 . 2]" 1
1271 1 61 VAL H 1 62 GLU H . . 4.500 4.492 4.291 4.586 0.086 16 0 "[ . 1 . 2]" 1
1272 1 61 VAL H 1 62 GLU HA . . 5.100 5.060 4.866 5.153 0.053 16 0 "[ . 1 . 2]" 1
1273 1 61 VAL H 1 62 GLU QG . . 5.500 4.180 3.762 5.087 . 0 0 "[ . 1 . 2]" 1
1274 1 61 VAL HA 1 61 VAL MG1 . . 3.400 2.679 2.425 3.269 . 0 0 "[ . 1 . 2]" 1
1275 1 61 VAL HA 1 61 VAL MG2 . . 3.400 2.349 2.261 2.420 . 0 0 "[ . 1 . 2]" 1
1276 1 61 VAL HA 1 62 GLU H . . 2.800 2.244 2.144 2.310 . 0 0 "[ . 1 . 2]" 1
1277 1 61 VAL HA 1 62 GLU HA . . 4.600 4.497 4.431 4.531 . 0 0 "[ . 1 . 2]" 1
1278 1 61 VAL HA 1 62 GLU QG . . 4.500 3.619 3.300 3.820 . 0 0 "[ . 1 . 2]" 1
1279 1 61 VAL QG 1 62 GLU H . . 3.300 2.420 2.190 2.626 . 0 0 "[ . 1 . 2]" 1
1280 1 61 VAL MG1 1 62 GLU H . . 4.300 2.813 2.367 3.823 . 0 0 "[ . 1 . 2]" 1
1281 1 61 VAL MG2 1 62 GLU H . . 4.300 3.512 2.205 3.990 . 0 0 "[ . 1 . 2]" 1
1282 1 62 GLU H 1 62 GLU HB2 . . 4.000 2.817 2.633 3.870 . 0 0 "[ . 1 . 2]" 1
1283 1 62 GLU H 1 62 GLU QB . . 3.300 2.730 2.585 3.232 . 0 0 "[ . 1 . 2]" 1
1284 1 62 GLU H 1 62 GLU HB3 . . 4.000 3.827 3.464 3.926 . 0 0 "[ . 1 . 2]" 1
1285 1 62 GLU H 1 62 GLU QG . . 3.800 3.040 2.396 3.168 . 0 0 "[ . 1 . 2]" 1
1286 1 62 GLU HA 1 62 GLU QG . . 3.900 2.518 2.368 3.380 . 0 0 "[ . 1 . 2]" 1
1287 1 62 GLU HA 1 63 VAL H . . 2.800 2.197 2.140 2.236 . 0 0 "[ . 1 . 2]" 1
1288 1 62 GLU HA 1 63 VAL HA . . 5.400 4.483 4.416 4.512 . 0 0 "[ . 1 . 2]" 1
1289 1 62 GLU HA 1 63 VAL MG1 . . 5.500 5.453 5.326 5.509 0.009 20 0 "[ . 1 . 2]" 1
1290 1 62 GLU HA 1 63 VAL QG . . 4.100 3.407 3.102 3.566 . 0 0 "[ . 1 . 2]" 1
1291 1 62 GLU HA 1 63 VAL MG2 . . 5.500 3.442 3.122 3.612 . 0 0 "[ . 1 . 2]" 1
1292 1 62 GLU QB 1 63 VAL H . . 3.600 3.382 3.239 3.554 . 0 0 "[ . 1 . 2]" 1
1293 1 63 VAL H 1 63 VAL HB . . 3.900 2.437 2.319 2.511 . 0 0 "[ . 1 . 2]" 1
1294 1 63 VAL H 1 63 VAL MG1 . . 4.400 3.757 3.717 3.796 . 0 0 "[ . 1 . 2]" 1
1295 1 63 VAL H 1 63 VAL QG . . 3.500 2.224 2.073 2.408 . 0 0 "[ . 1 . 2]" 1
1296 1 63 VAL H 1 63 VAL MG2 . . 4.400 2.241 2.082 2.435 . 0 0 "[ . 1 . 2]" 1
1297 1 63 VAL H 1 64 GLY H . . 4.700 4.633 4.560 4.678 . 0 0 "[ . 1 . 2]" 1
1298 1 63 VAL HA 1 63 VAL MG1 . . 3.700 2.391 2.344 2.457 . 0 0 "[ . 1 . 2]" 1
1299 1 63 VAL HA 1 63 VAL MG2 . . 3.700 2.567 2.484 2.620 . 0 0 "[ . 1 . 2]" 1
1300 1 63 VAL HA 1 64 GLY H . . 2.800 2.375 2.298 2.462 . 0 0 "[ . 1 . 2]" 1
1301 1 63 VAL HB 1 64 GLY H . . 4.300 3.805 3.670 3.883 . 0 0 "[ . 1 . 2]" 1
1302 1 63 VAL QG 1 64 GLY H . . 3.500 2.238 2.095 2.331 . 0 0 "[ . 1 . 2]" 1
1303 1 63 VAL QG 1 65 THR H . . 5.400 4.816 4.698 4.967 . 0 0 "[ . 1 . 2]" 1
1304 1 63 VAL MG1 1 64 GLY H . . 4.300 2.249 2.102 2.344 . 0 0 "[ . 1 . 2]" 1
1305 1 63 VAL MG2 1 64 GLY H . . 4.300 4.056 3.954 4.205 . 0 0 "[ . 1 . 2]" 1
1306 1 64 GLY QA 1 65 THR H . . 3.000 2.280 2.214 2.361 . 0 0 "[ . 1 . 2]" 1
1307 1 65 THR H 1 65 THR HB . . 3.800 3.219 3.004 3.601 . 0 0 "[ . 1 . 2]" 1
1308 1 65 THR H 1 65 THR MG . . 4.200 3.947 2.902 4.155 . 0 0 "[ . 1 . 2]" 1
1309 1 65 THR H 1 66 LYS H . . 4.600 4.331 4.270 4.369 . 0 0 "[ . 1 . 2]" 1
1310 1 65 THR HA 1 65 THR MG . . 3.400 2.484 2.284 3.271 . 0 0 "[ . 1 . 2]" 1
1311 1 65 THR HA 1 66 LYS H . . 2.900 2.332 2.236 2.434 . 0 0 "[ . 1 . 2]" 1
1312 1 65 THR HA 1 66 LYS HA . . 4.900 4.366 4.169 4.457 . 0 0 "[ . 1 . 2]" 1
1313 1 65 THR HA 1 66 LYS HB2 . . 5.200 4.482 4.209 4.674 . 0 0 "[ . 1 . 2]" 1
1314 1 65 THR HA 1 66 LYS QB . . 4.400 4.147 4.005 4.234 . 0 0 "[ . 1 . 2]" 1
1315 1 65 THR HA 1 66 LYS HB3 . . 5.200 4.914 4.716 5.201 0.001 15 0 "[ . 1 . 2]" 1
1316 1 65 THR HB 1 66 LYS H . . 4.500 3.778 3.573 4.080 . 0 0 "[ . 1 . 2]" 1
1317 1 65 THR MG 1 66 LYS H . . 3.700 2.469 2.141 3.455 . 0 0 "[ . 1 . 2]" 1
1318 1 66 LYS H 1 66 LYS HB2 . . 3.300 2.444 2.137 2.559 . 0 0 "[ . 1 . 2]" 1
1319 1 66 LYS H 1 66 LYS HB3 . . 3.300 2.590 2.470 2.886 . 0 0 "[ . 1 . 2]" 1
1320 1 66 LYS H 1 66 LYS QD . . 5.000 4.378 4.164 4.442 . 0 0 "[ . 1 . 2]" 1
1321 1 66 LYS H 1 66 LYS QG . . 4.700 3.968 3.806 4.065 . 0 0 "[ . 1 . 2]" 1
1322 1 66 LYS H 1 67 PRO HD2 . . 4.900 4.960 4.859 4.975 0.075 20 0 "[ . 1 . 2]" 1
1323 1 66 LYS H 1 67 PRO HD3 . . 5.000 4.785 4.687 5.020 0.020 15 0 "[ . 1 . 2]" 1
1324 1 66 LYS HA 1 66 LYS QG . . 3.600 2.415 2.246 2.813 . 0 0 "[ . 1 . 2]" 1
1325 1 66 LYS HA 1 67 PRO HD2 . . 3.400 2.249 2.220 2.271 . 0 0 "[ . 1 . 2]" 1
1326 1 66 LYS HA 1 67 PRO HD3 . . 3.300 2.323 2.286 2.465 . 0 0 "[ . 1 . 2]" 1
1327 1 66 LYS HA 1 67 PRO HG2 . . 4.900 4.457 4.439 4.476 . 0 0 "[ . 1 . 2]" 1
1328 1 66 LYS HA 1 67 PRO QG . . 4.200 3.972 3.948 4.021 . 0 0 "[ . 1 . 2]" 1
1329 1 66 LYS HA 1 67 PRO HG3 . . 4.900 4.459 4.425 4.564 . 0 0 "[ . 1 . 2]" 1
1330 1 66 LYS QB 1 67 PRO HD3 . . 4.600 4.347 4.311 4.395 . 0 0 "[ . 1 . 2]" 1
1331 1 66 LYS HB2 1 66 LYS QE . . 4.900 4.106 3.994 4.208 . 0 0 "[ . 1 . 2]" 1
1332 1 66 LYS HB2 1 67 PRO HD2 . . 5.000 4.112 3.952 4.257 . 0 0 "[ . 1 . 2]" 1
1333 1 66 LYS HB2 1 67 PRO HD3 . . 5.200 4.787 4.708 4.986 . 0 0 "[ . 1 . 2]" 1
1334 1 66 LYS HB3 1 66 LYS QE . . 4.900 4.098 3.968 4.271 . 0 0 "[ . 1 . 2]" 1
1335 1 66 LYS HB3 1 67 PRO HD2 . . 5.000 4.286 3.894 4.477 . 0 0 "[ . 1 . 2]" 1
1336 1 66 LYS HB3 1 67 PRO HD3 . . 5.200 4.991 4.885 5.044 . 0 0 "[ . 1 . 2]" 1
1337 1 66 LYS QD 1 67 PRO HD2 . . 4.600 4.335 2.332 4.576 . 0 0 "[ . 1 . 2]" 1
1338 1 66 LYS QE 1 66 LYS HG2 . . 3.800 2.500 2.349 2.914 . 0 0 "[ . 1 . 2]" 1
1339 1 66 LYS QE 1 66 LYS QG . . 3.300 2.244 2.120 2.351 . 0 0 "[ . 1 . 2]" 1
1340 1 66 LYS QE 1 66 LYS HG3 . . 3.800 2.579 2.394 2.781 . 0 0 "[ . 1 . 2]" 1
1341 1 66 LYS QE 1 67 PRO QG . . 5.300 4.742 3.532 5.017 . 0 0 "[ . 1 . 2]" 1
1342 1 66 LYS QG 1 67 PRO HD2 . . 3.400 2.295 2.048 2.432 . 0 0 "[ . 1 . 2]" 1
1343 1 66 LYS QG 1 67 PRO HD3 . . 3.900 3.586 3.407 3.797 . 0 0 "[ . 1 . 2]" 1
1344 1 66 LYS HG2 1 67 PRO HD2 . . 3.900 2.797 2.235 3.922 0.022 16 0 "[ . 1 . 2]" 1
1345 1 66 LYS HG3 1 67 PRO HD2 . . 3.900 2.473 2.307 2.708 . 0 0 "[ . 1 . 2]" 1
1346 1 67 PRO HA 1 68 THR H . . 2.700 2.180 2.093 2.761 0.061 15 0 "[ . 1 . 2]" 1
1347 1 67 PRO HA 1 68 THR MG . . 4.400 3.991 3.799 4.283 . 0 0 "[ . 1 . 2]" 1
1348 1 67 PRO HA 1 71 VAL MG1 . . 5.000 3.217 3.101 3.345 . 0 0 "[ . 1 . 2]" 1
1349 1 67 PRO QB 1 68 THR H . . 3.200 2.782 1.789 2.918 . 0 0 "[ . 1 . 2]" 1
1350 1 67 PRO QB 1 68 THR MG . . 3.900 3.867 3.768 3.889 . 0 0 "[ . 1 . 2]" 1
1351 1 67 PRO QB 1 69 GLY H . . 4.100 2.925 2.721 3.151 . 0 0 "[ . 1 . 2]" 1
1352 1 67 PRO QB 1 71 VAL MG2 . . 3.900 2.127 2.073 2.172 . 0 0 "[ . 1 . 2]" 1
1353 1 67 PRO QB 1 89 PRO HA . . 5.300 5.169 4.976 5.343 0.043 15 0 "[ . 1 . 2]" 1
1354 1 67 PRO HB2 1 68 THR H . . 3.700 2.905 1.800 3.063 . 0 0 "[ . 1 . 2]" 1
1355 1 67 PRO HB2 1 69 GLY H . . 4.800 2.960 2.748 3.197 . 0 0 "[ . 1 . 2]" 1
1356 1 67 PRO HB2 1 71 VAL MG1 . . 3.500 2.161 2.082 2.374 . 0 0 "[ . 1 . 2]" 1
1357 1 67 PRO HB2 1 71 VAL MG2 . . 4.700 2.173 2.110 2.284 . 0 0 "[ . 1 . 2]" 1
1358 1 67 PRO HB3 1 68 THR H . . 3.700 3.586 3.110 3.675 . 0 0 "[ . 1 . 2]" 1
1359 1 67 PRO HB3 1 69 GLY H . . 4.800 4.568 4.385 4.764 . 0 0 "[ . 1 . 2]" 1
1360 1 67 PRO HB3 1 71 VAL MG1 . . 3.500 2.237 2.185 2.313 . 0 0 "[ . 1 . 2]" 1
1361 1 67 PRO HB3 1 71 VAL MG2 . . 4.700 3.052 2.715 3.182 . 0 0 "[ . 1 . 2]" 1
1362 1 67 PRO HD2 1 68 THR H . . 5.500 5.513 5.226 5.540 0.040 16 0 "[ . 1 . 2]" 1
1363 1 67 PRO HD2 1 71 VAL MG1 . . 5.500 5.428 5.353 5.502 0.002 16 0 "[ . 1 . 2]" 1
1364 1 67 PRO HD2 1 87 GLU QB . . 4.900 4.656 4.250 4.927 0.027 8 0 "[ . 1 . 2]" 1
1365 1 67 PRO HD3 1 68 THR H . . 5.500 5.441 5.066 5.498 . 0 0 "[ . 1 . 2]" 1
1366 1 67 PRO HD3 1 71 VAL MG1 . . 5.500 4.832 4.630 4.931 . 0 0 "[ . 1 . 2]" 1
1367 1 67 PRO QG 1 71 VAL MG2 . . 2.900 2.807 2.660 2.868 . 0 0 "[ . 1 . 2]" 1
1368 1 68 THR H 1 68 THR HB . . 3.500 2.458 2.321 3.045 . 0 0 "[ . 1 . 2]" 1
1369 1 68 THR H 1 68 THR MG . . 2.900 2.209 2.028 2.644 . 0 0 "[ . 1 . 2]" 1
1370 1 68 THR H 1 71 VAL MG1 . . 2.800 2.833 2.487 2.885 0.085 6 0 "[ . 1 . 2]" 1
1371 1 68 THR HA 1 68 THR MG . . 3.300 3.258 3.235 3.266 . 0 0 "[ . 1 . 2]" 1
1372 1 68 THR HA 1 69 GLY H . . 3.600 3.487 3.427 3.552 . 0 0 "[ . 1 . 2]" 1
1373 1 68 THR HA 1 71 VAL MG1 . . 5.200 4.783 4.711 4.888 . 0 0 "[ . 1 . 2]" 1
1374 1 68 THR HA 1 71 VAL MG2 . . 5.500 5.440 5.222 5.534 0.034 15 0 "[ . 1 . 2]" 1
1375 1 68 THR HB 1 69 GLY H . . 4.200 4.131 4.067 4.211 0.011 15 0 "[ . 1 . 2]" 1
1376 1 68 THR MG 1 69 GLY H . . 2.700 2.529 2.416 2.736 0.036 15 0 "[ . 1 . 2]" 1
1377 1 68 THR MG 1 69 GLY QA . . 5.300 3.562 3.478 3.657 . 0 0 "[ . 1 . 2]" 1
1378 1 68 THR MG 1 70 ASP H . . 4.400 1.920 1.833 2.328 . 0 0 "[ . 1 . 2]" 1
1379 1 69 GLY H 1 70 ASP H . . 4.400 2.561 2.138 2.741 . 0 0 "[ . 1 . 2]" 1
1380 1 69 GLY H 1 71 VAL HB . . 5.500 4.992 4.843 5.505 0.005 15 0 "[ . 1 . 2]" 1
1381 1 69 GLY H 1 71 VAL MG1 . . 4.500 2.347 2.140 3.008 . 0 0 "[ . 1 . 2]" 1
1382 1 69 GLY QA 1 70 ASP H . . 2.800 2.713 2.661 2.829 0.029 15 0 "[ . 1 . 2]" 1
1383 1 69 GLY QA 1 70 ASP HA . . 4.900 4.139 4.104 4.160 . 0 0 "[ . 1 . 2]" 1
1384 1 69 GLY QA 1 70 ASP QB . . 4.600 4.622 4.525 4.646 0.046 18 0 "[ . 1 . 2]" 1
1385 1 70 ASP H 1 70 ASP QB . . 3.000 2.510 2.435 2.962 . 0 0 "[ . 1 . 2]" 1
1386 1 70 ASP H 1 71 VAL HA . . 5.500 5.319 4.806 5.400 . 0 0 "[ . 1 . 2]" 1
1387 1 70 ASP H 1 71 VAL MG1 . . 5.300 3.430 3.051 3.610 . 0 0 "[ . 1 . 2]" 1
1388 1 70 ASP H 1 71 VAL MG2 . . 5.000 3.918 3.433 4.153 . 0 0 "[ . 1 . 2]" 1
1389 1 70 ASP HA 1 71 VAL H . . 2.900 2.457 2.330 2.504 . 0 0 "[ . 1 . 2]" 1
1390 1 70 ASP HA 1 71 VAL MG1 . . 5.100 4.350 4.276 4.399 . 0 0 "[ . 1 . 2]" 1
1391 1 70 ASP HA 1 71 VAL MG2 . . 4.400 4.299 3.990 4.425 0.025 6 0 "[ . 1 . 2]" 1
1392 1 70 ASP HA 1 90 ARG HB2 . . 5.500 4.155 3.891 4.457 . 0 0 "[ . 1 . 2]" 1
1393 1 70 ASP QB 1 71 VAL H . . 4.000 3.928 3.826 3.963 . 0 0 "[ . 1 . 2]" 1
1394 1 70 ASP QB 1 90 ARG H . . 4.700 3.844 3.486 4.119 . 0 0 "[ . 1 . 2]" 1
1395 1 70 ASP QB 1 90 ARG HB2 . . 4.200 4.206 3.968 4.286 0.086 6 0 "[ . 1 . 2]" 1
1396 1 70 ASP QB 1 90 ARG HB3 . . 3.800 3.002 2.690 3.208 . 0 0 "[ . 1 . 2]" 1
1397 1 70 ASP QB 1 90 ARG QD . . 5.200 4.160 3.553 4.962 . 0 0 "[ . 1 . 2]" 1
1398 1 70 ASP QB 1 90 ARG QG . . 4.700 4.594 4.127 4.742 0.042 16 0 "[ . 1 . 2]" 1
1399 1 70 ASP HB2 1 71 VAL H . . 4.700 4.469 4.327 4.579 . 0 0 "[ . 1 . 2]" 1
1400 1 70 ASP HB3 1 71 VAL H . . 4.700 4.360 4.100 4.597 . 0 0 "[ . 1 . 2]" 1
1401 1 71 VAL H 1 71 VAL HB . . 4.100 3.869 3.826 3.891 . 0 0 "[ . 1 . 2]" 1
1402 1 71 VAL H 1 71 VAL MG1 . . 3.800 3.195 3.020 3.376 . 0 0 "[ . 1 . 2]" 1
1403 1 71 VAL H 1 71 VAL MG2 . . 3.000 2.413 2.283 2.495 . 0 0 "[ . 1 . 2]" 1
1404 1 71 VAL H 1 72 LEU H . . 4.600 4.408 4.270 4.495 . 0 0 "[ . 1 . 2]" 1
1405 1 71 VAL H 1 72 LEU QD . . 5.400 5.328 4.974 5.455 0.055 10 0 "[ . 1 . 2]" 1
1406 1 71 VAL H 1 90 ARG H . . 5.100 4.570 4.278 4.805 . 0 0 "[ . 1 . 2]" 1
1407 1 71 VAL H 1 90 ARG QD . . 5.500 4.018 3.480 4.902 . 0 0 "[ . 1 . 2]" 1
1408 1 71 VAL HA 1 72 LEU H . . 2.900 2.259 2.193 2.307 . 0 0 "[ . 1 . 2]" 1
1409 1 71 VAL HA 1 89 PRO HA . . 4.400 2.774 2.444 3.005 . 0 0 "[ . 1 . 2]" 1
1410 1 71 VAL HA 1 90 ARG H . . 3.400 2.471 2.207 2.602 . 0 0 "[ . 1 . 2]" 1
1411 1 71 VAL HA 1 90 ARG QG . . 5.200 4.678 4.397 5.085 . 0 0 "[ . 1 . 2]" 1
1412 1 71 VAL HB 1 72 LEU H . . 3.200 2.466 2.329 2.706 . 0 0 "[ . 1 . 2]" 1
1413 1 71 VAL HB 1 72 LEU HA . . 5.500 4.748 4.674 4.819 . 0 0 "[ . 1 . 2]" 1
1414 1 71 VAL HB 1 72 LEU QD . . 5.100 4.998 4.928 5.077 . 0 0 "[ . 1 . 2]" 1
1415 1 71 VAL HB 1 88 GLU H . . 3.300 2.916 2.631 3.207 . 0 0 "[ . 1 . 2]" 1
1416 1 71 VAL HB 1 88 GLU HA . . 5.400 4.469 4.121 4.772 . 0 0 "[ . 1 . 2]" 1
1417 1 71 VAL HB 1 89 PRO HA . . 5.000 3.890 3.671 4.085 . 0 0 "[ . 1 . 2]" 1
1418 1 71 VAL MG1 1 72 LEU H . . 4.200 3.637 3.511 3.793 . 0 0 "[ . 1 . 2]" 1
1419 1 71 VAL MG1 1 87 GLU HA . . 5.200 4.967 4.656 5.169 . 0 0 "[ . 1 . 2]" 1
1420 1 71 VAL MG1 1 88 GLU H . . 5.000 4.089 3.788 4.414 . 0 0 "[ . 1 . 2]" 1
1421 1 71 VAL MG1 1 89 PRO HA . . 3.700 2.204 2.069 2.330 . 0 0 "[ . 1 . 2]" 1
1422 1 71 VAL MG1 1 89 PRO HB3 . . 4.000 3.658 3.398 3.920 . 0 0 "[ . 1 . 2]" 1
1423 1 71 VAL MG1 1 89 PRO QD . . 4.600 3.861 3.336 4.152 . 0 0 "[ . 1 . 2]" 1
1424 1 71 VAL MG1 1 90 ARG H . . 4.000 3.197 3.053 3.419 . 0 0 "[ . 1 . 2]" 1
1425 1 71 VAL MG2 1 72 LEU H . . 4.000 3.584 3.503 3.937 . 0 0 "[ . 1 . 2]" 1
1426 1 71 VAL MG2 1 73 GLN H . . 5.500 4.782 4.425 5.290 . 0 0 "[ . 1 . 2]" 1
1427 1 71 VAL MG2 1 73 GLN HA . . 5.500 4.556 4.392 4.766 . 0 0 "[ . 1 . 2]" 1
1428 1 71 VAL MG2 1 73 GLN HE21 . . 4.400 3.313 3.111 3.477 . 0 0 "[ . 1 . 2]" 1
1429 1 71 VAL MG2 1 73 GLN HE22 . . 5.500 4.445 4.299 4.576 . 0 0 "[ . 1 . 2]" 1
1430 1 71 VAL MG2 1 73 GLN HG2 . . 4.300 3.177 2.946 3.341 . 0 0 "[ . 1 . 2]" 1
1431 1 71 VAL MG2 1 73 GLN HG3 . . 4.200 2.872 2.717 3.098 . 0 0 "[ . 1 . 2]" 1
1432 1 71 VAL MG2 1 87 GLU HA . . 4.500 4.173 3.984 4.472 . 0 0 "[ . 1 . 2]" 1
1433 1 71 VAL MG2 1 88 GLU H . . 4.700 4.082 3.742 4.321 . 0 0 "[ . 1 . 2]" 1
1434 1 72 LEU H 1 72 LEU HB2 . . 3.900 2.375 2.287 2.474 . 0 0 "[ . 1 . 2]" 1
1435 1 72 LEU H 1 72 LEU QB . . 3.200 2.344 2.261 2.438 . 0 0 "[ . 1 . 2]" 1
1436 1 72 LEU H 1 72 LEU HB3 . . 3.900 3.617 3.567 3.690 . 0 0 "[ . 1 . 2]" 1
1437 1 72 LEU H 1 72 LEU MD1 . . 4.700 3.527 3.256 3.782 . 0 0 "[ . 1 . 2]" 1
1438 1 72 LEU H 1 72 LEU QD . . 4.000 3.247 3.095 3.385 . 0 0 "[ . 1 . 2]" 1
1439 1 72 LEU H 1 72 LEU MD2 . . 4.700 3.839 3.379 3.972 . 0 0 "[ . 1 . 2]" 1
1440 1 72 LEU H 1 72 LEU HG . . 4.000 2.623 2.356 2.773 . 0 0 "[ . 1 . 2]" 1
1441 1 72 LEU H 1 73 GLN H . . 5.200 4.568 4.317 4.721 . 0 0 "[ . 1 . 2]" 1
1442 1 72 LEU H 1 73 GLN HG2 . . 5.500 5.344 5.124 5.503 0.003 15 0 "[ . 1 . 2]" 1
1443 1 72 LEU H 1 87 GLU HA . . 4.700 4.326 3.952 4.569 . 0 0 "[ . 1 . 2]" 1
1444 1 72 LEU H 1 88 GLU H . . 3.500 2.772 2.498 3.031 . 0 0 "[ . 1 . 2]" 1
1445 1 72 LEU H 1 88 GLU HB2 . . 5.500 4.113 3.277 5.133 . 0 0 "[ . 1 . 2]" 1
1446 1 72 LEU H 1 88 GLU HB3 . . 5.500 4.672 3.816 5.504 0.004 15 0 "[ . 1 . 2]" 1
1447 1 72 LEU H 1 88 GLU QG . . 5.500 4.342 3.264 5.163 . 0 0 "[ . 1 . 2]" 1
1448 1 72 LEU H 1 89 PRO HA . . 4.600 4.050 3.901 4.185 . 0 0 "[ . 1 . 2]" 1
1449 1 72 LEU H 1 90 ARG H . . 4.200 4.104 3.597 4.204 0.004 16 0 "[ . 1 . 2]" 1
1450 1 72 LEU H 1 90 ARG HA . . 4.900 4.337 3.872 4.668 . 0 0 "[ . 1 . 2]" 1
1451 1 72 LEU H 1 90 ARG QD . . 5.500 4.967 4.156 5.516 0.016 2 0 "[ . 1 . 2]" 1
1452 1 72 LEU HA 1 72 LEU QB . . 2.500 2.417 2.375 2.444 . 0 0 "[ . 1 . 2]" 1
1453 1 72 LEU HA 1 72 LEU QD . . 3.500 2.180 2.081 2.280 . 0 0 "[ . 1 . 2]" 1
1454 1 72 LEU HA 1 73 GLN H . . 2.900 2.313 2.128 2.719 . 0 0 "[ . 1 . 2]" 1
1455 1 72 LEU HA 1 73 GLN QB . . 5.300 4.291 4.091 4.446 . 0 0 "[ . 1 . 2]" 1
1456 1 72 LEU QB 1 72 LEU QD . . 2.800 1.936 1.921 1.996 . 0 0 "[ . 1 . 2]" 1
1457 1 72 LEU QB 1 73 GLN H . . 3.600 3.150 2.276 3.567 . 0 0 "[ . 1 . 2]" 1
1458 1 72 LEU QB 1 88 GLU H . . 3.800 3.008 2.811 3.228 . 0 0 "[ . 1 . 2]" 1
1459 1 72 LEU QB 1 88 GLU QG . . 5.100 3.032 2.144 3.716 . 0 0 "[ . 1 . 2]" 1
1460 1 72 LEU HB2 1 73 GLN H . . 4.500 4.189 3.360 4.461 . 0 0 "[ . 1 . 2]" 1
1461 1 72 LEU HB2 1 88 GLU H . . 4.700 3.059 2.855 3.292 . 0 0 "[ . 1 . 2]" 1
1462 1 72 LEU HB3 1 73 GLN H . . 4.500 3.260 2.315 3.751 . 0 0 "[ . 1 . 2]" 1
1463 1 72 LEU HB3 1 88 GLU H . . 4.700 4.444 4.208 4.666 . 0 0 "[ . 1 . 2]" 1
1464 1 72 LEU QD 1 73 GLN H . . 3.600 3.622 3.506 3.676 0.076 10 0 "[ . 1 . 2]" 1
1465 1 72 LEU QD 1 88 GLU H . . 4.700 4.323 4.150 4.551 . 0 0 "[ . 1 . 2]" 1
1466 1 72 LEU QD 1 88 GLU QB . . 4.900 3.068 2.319 4.219 . 0 0 "[ . 1 . 2]" 1
1467 1 72 LEU QD 1 88 GLU QG . . 4.600 3.148 2.159 3.815 . 0 0 "[ . 1 . 2]" 1
1468 1 72 LEU QD 1 89 PRO HG2 . . 5.400 5.083 4.646 5.454 0.054 17 0 "[ . 1 . 2]" 1
1469 1 72 LEU QD 1 90 ARG H . . 5.400 4.448 4.186 4.706 . 0 0 "[ . 1 . 2]" 1
1470 1 72 LEU QD 1 90 ARG HA . . 3.600 2.739 2.394 3.210 . 0 0 "[ . 1 . 2]" 1
1471 1 72 LEU QD 1 90 ARG HB2 . . 3.800 3.399 2.827 3.665 . 0 0 "[ . 1 . 2]" 1
1472 1 72 LEU QD 1 90 ARG QD . . 3.700 3.172 2.369 3.661 . 0 0 "[ . 1 . 2]" 1
1473 1 72 LEU MD1 1 88 GLU H . . 5.500 4.522 4.306 4.831 . 0 0 "[ . 1 . 2]" 1
1474 1 72 LEU MD1 1 88 GLU QG . . 5.500 3.184 2.166 3.888 . 0 0 "[ . 1 . 2]" 1
1475 1 72 LEU MD1 1 90 ARG HB2 . . 4.600 4.148 3.726 4.622 0.022 17 0 "[ . 1 . 2]" 1
1476 1 72 LEU MD1 1 90 ARG QD . . 4.900 4.731 4.196 4.874 . 0 0 "[ . 1 . 2]" 1
1477 1 72 LEU MD2 1 88 GLU H . . 5.500 5.514 5.437 5.568 0.068 4 0 "[ . 1 . 2]" 1
1478 1 72 LEU MD2 1 88 GLU QG . . 5.500 5.099 4.226 5.532 0.032 9 0 "[ . 1 . 2]" 1
1479 1 72 LEU MD2 1 90 ARG HB2 . . 4.600 3.643 2.928 4.055 . 0 0 "[ . 1 . 2]" 1
1480 1 72 LEU MD2 1 90 ARG QD . . 4.900 3.233 2.382 3.786 . 0 0 "[ . 1 . 2]" 1
1481 1 72 LEU HG 1 73 GLN H . . 5.000 5.030 4.982 5.070 0.070 2 0 "[ . 1 . 2]" 1
1482 1 72 LEU HG 1 88 GLU H . . 4.900 4.918 4.779 4.956 0.056 5 0 "[ . 1 . 2]" 1
1483 1 72 LEU HG 1 89 PRO HA . . 5.500 5.181 4.739 5.502 0.002 11 0 "[ . 1 . 2]" 1
1484 1 73 GLN H 1 73 GLN HB2 . . 3.900 2.449 2.305 3.178 . 0 0 "[ . 1 . 2]" 1
1485 1 73 GLN H 1 73 GLN QB . . 3.300 2.411 2.277 3.059 . 0 0 "[ . 1 . 2]" 1
1486 1 73 GLN H 1 73 GLN HB3 . . 3.900 3.633 3.545 3.985 0.085 17 0 "[ . 1 . 2]" 1
1487 1 73 GLN H 1 73 GLN HG2 . . 4.200 3.836 3.511 4.246 0.046 17 0 "[ . 1 . 2]" 1
1488 1 73 GLN H 1 73 GLN HG3 . . 4.400 2.997 2.617 3.984 . 0 0 "[ . 1 . 2]" 1
1489 1 73 GLN H 1 87 GLU HA . . 5.400 5.051 4.514 5.151 . 0 0 "[ . 1 . 2]" 1
1490 1 73 GLN HA 1 73 GLN HG2 . . 4.100 2.351 2.263 2.439 . 0 0 "[ . 1 . 2]" 1
1491 1 73 GLN HA 1 74 GLY H . . 3.100 2.142 2.111 2.200 . 0 0 "[ . 1 . 2]" 1
1492 1 73 GLN HA 1 74 GLY HA3 . . 4.700 4.455 4.392 4.519 . 0 0 "[ . 1 . 2]" 1
1493 1 73 GLN HA 1 85 LEU QD . . 3.300 3.291 3.130 3.314 0.014 11 0 "[ . 1 . 2]" 1
1494 1 73 GLN HA 1 87 GLU HA . . 3.800 2.917 2.735 3.100 . 0 0 "[ . 1 . 2]" 1
1495 1 73 GLN HA 1 87 GLU QG . . 3.700 2.669 2.468 2.766 . 0 0 "[ . 1 . 2]" 1
1496 1 73 GLN HA 1 88 GLU H . . 4.800 4.211 3.954 4.558 . 0 0 "[ . 1 . 2]" 1
1497 1 73 GLN QB 1 73 GLN HE22 . . 4.700 4.036 3.890 4.097 . 0 0 "[ . 1 . 2]" 1
1498 1 73 GLN QB 1 74 GLY H . . 4.000 3.461 3.311 3.673 . 0 0 "[ . 1 . 2]" 1
1499 1 73 GLN QB 1 85 LEU QD . . 3.300 2.208 2.100 2.529 . 0 0 "[ . 1 . 2]" 1
1500 1 73 GLN HB2 1 74 GLY H . . 4.800 4.441 4.343 4.567 . 0 0 "[ . 1 . 2]" 1
1501 1 73 GLN HB3 1 74 GLY H . . 4.800 3.611 3.429 3.871 . 0 0 "[ . 1 . 2]" 1
1502 1 73 GLN HE21 1 85 LEU MD1 . . 4.300 3.775 3.396 4.026 . 0 0 "[ . 1 . 2]" 1
1503 1 73 GLN HE21 1 85 LEU QD . . 3.700 2.821 2.610 3.062 . 0 0 "[ . 1 . 2]" 1
1504 1 73 GLN HE21 1 85 LEU MD2 . . 4.300 2.929 2.644 3.483 . 0 0 "[ . 1 . 2]" 1
1505 1 73 GLN HE22 1 85 LEU MD1 . . 4.100 3.914 3.545 4.084 . 0 0 "[ . 1 . 2]" 1
1506 1 73 GLN HE22 1 85 LEU QD . . 3.100 3.152 3.034 3.162 0.062 5 0 "[ . 1 . 2]" 1
1507 1 73 GLN HE22 1 85 LEU MD2 . . 4.100 3.336 3.129 3.549 . 0 0 "[ . 1 . 2]" 1
1508 1 73 GLN HG2 1 74 GLY H . . 4.700 4.349 4.221 4.515 . 0 0 "[ . 1 . 2]" 1
1509 1 73 GLN HG2 1 85 LEU MD1 . . 4.600 3.349 3.055 4.242 . 0 0 "[ . 1 . 2]" 1
1510 1 73 GLN HG2 1 85 LEU QD . . 4.000 3.010 2.835 3.224 . 0 0 "[ . 1 . 2]" 1
1511 1 73 GLN HG2 1 85 LEU MD2 . . 4.600 3.533 2.879 4.254 . 0 0 "[ . 1 . 2]" 1
1512 1 74 GLY H 1 75 ARG H . . 4.700 4.579 4.410 4.654 . 0 0 "[ . 1 . 2]" 1
1513 1 74 GLY H 1 85 LEU QD . . 4.400 3.522 3.142 3.740 . 0 0 "[ . 1 . 2]" 1
1514 1 74 GLY H 1 86 VAL H . . 4.100 2.883 2.679 3.045 . 0 0 "[ . 1 . 2]" 1
1515 1 74 GLY H 1 86 VAL HB . . 4.800 3.161 2.735 4.806 0.006 10 0 "[ . 1 . 2]" 1
1516 1 74 GLY H 1 86 VAL QG . . 4.300 3.401 2.426 3.794 . 0 0 "[ . 1 . 2]" 1
1517 1 74 GLY H 1 87 GLU HA . . 4.500 3.657 3.506 3.841 . 0 0 "[ . 1 . 2]" 1
1518 1 74 GLY H 1 87 GLU QG . . 4.800 3.750 3.573 3.832 . 0 0 "[ . 1 . 2]" 1
1519 1 74 GLY HA2 1 75 ARG H . . 3.000 2.404 2.271 2.526 . 0 0 "[ . 1 . 2]" 1
1520 1 74 GLY HA2 1 86 VAL H . . 5.500 4.675 4.585 4.822 . 0 0 "[ . 1 . 2]" 1
1521 1 74 GLY HA2 1 86 VAL QG . . 5.400 4.540 3.521 4.853 . 0 0 "[ . 1 . 2]" 1
1522 1 74 GLY HA3 1 75 ARG H . . 3.300 3.011 2.915 3.114 . 0 0 "[ . 1 . 2]" 1
1523 1 74 GLY HA3 1 86 VAL H . . 4.700 3.707 3.574 3.912 . 0 0 "[ . 1 . 2]" 1
1524 1 74 GLY HA3 1 86 VAL HB . . 4.900 2.875 2.348 4.738 . 0 0 "[ . 1 . 2]" 1
1525 1 74 GLY HA3 1 86 VAL QG . . 4.100 3.281 2.139 3.617 . 0 0 "[ . 1 . 2]" 1
1526 1 75 ARG H 1 75 ARG HB2 . . 3.900 3.304 2.970 3.428 . 0 0 "[ . 1 . 2]" 1
1527 1 75 ARG H 1 75 ARG QB . . 3.200 2.816 2.710 2.932 . 0 0 "[ . 1 . 2]" 1
1528 1 75 ARG H 1 75 ARG HB3 . . 3.900 3.081 2.919 3.913 0.013 5 0 "[ . 1 . 2]" 1
1529 1 75 ARG H 1 75 ARG QD . . 5.000 5.004 4.913 5.105 0.105 9 0 "[ . 1 . 2]" 1
1530 1 75 ARG H 1 85 LEU QD . . 5.400 4.517 4.281 5.336 . 0 0 "[ . 1 . 2]" 1
1531 1 75 ARG H 1 86 VAL H . . 5.000 4.839 4.679 4.993 . 0 0 "[ . 1 . 2]" 1
1532 1 75 ARG H 1 86 VAL QG . . 4.800 4.710 3.945 4.800 . 0 0 "[ . 1 . 2]" 1
1533 1 75 ARG HA 1 75 ARG QD . . 4.600 3.974 3.895 4.064 . 0 0 "[ . 1 . 2]" 1
1534 1 75 ARG HA 1 76 ALA H . . 2.900 2.155 2.065 2.348 . 0 0 "[ . 1 . 2]" 1
1535 1 75 ARG HA 1 76 ALA HA . . 5.400 4.516 4.479 4.573 . 0 0 "[ . 1 . 2]" 1
1536 1 75 ARG HA 1 76 ALA MB . . 4.500 3.817 3.767 3.895 . 0 0 "[ . 1 . 2]" 1
1537 1 75 ARG HA 1 84 VAL H . . 5.500 4.780 4.529 5.016 . 0 0 "[ . 1 . 2]" 1
1538 1 75 ARG HA 1 84 VAL HB . . 5.400 4.714 4.379 4.899 . 0 0 "[ . 1 . 2]" 1
1539 1 75 ARG HA 1 85 LEU HA . . 4.700 2.415 2.308 2.485 . 0 0 "[ . 1 . 2]" 1
1540 1 75 ARG HA 1 85 LEU QD . . 4.000 3.025 2.728 3.971 . 0 0 "[ . 1 . 2]" 1
1541 1 75 ARG HA 1 86 VAL H . . 4.800 3.715 3.508 3.838 . 0 0 "[ . 1 . 2]" 1
1542 1 75 ARG QB 1 76 ALA H . . 4.200 3.557 2.387 3.786 . 0 0 "[ . 1 . 2]" 1
1543 1 75 ARG QB 1 85 LEU QD . . 4.600 2.500 2.203 3.909 . 0 0 "[ . 1 . 2]" 1
1544 1 75 ARG HB2 1 75 ARG QD . . 3.700 2.375 2.240 2.560 . 0 0 "[ . 1 . 2]" 1
1545 1 75 ARG HB3 1 75 ARG QD . . 3.700 2.440 2.303 2.902 . 0 0 "[ . 1 . 2]" 1
1546 1 75 ARG QD 1 76 ALA H . . 5.500 4.575 4.131 4.898 . 0 0 "[ . 1 . 2]" 1
1547 1 75 ARG QD 1 85 LEU QD . . 3.400 2.854 2.537 3.418 0.018 5 0 "[ . 1 . 2]" 1
1548 1 75 ARG QG 1 76 ALA H . . 3.200 2.563 2.133 3.266 0.066 5 0 "[ . 1 . 2]" 1
1549 1 75 ARG QG 1 85 LEU QD . . 3.500 2.709 2.121 3.039 . 0 0 "[ . 1 . 2]" 1
1550 1 76 ALA H 1 76 ALA MB . . 3.600 2.615 2.431 2.924 . 0 0 "[ . 1 . 2]" 1
1551 1 76 ALA H 1 77 THR HA . . 5.100 5.009 4.852 5.135 0.035 12 0 "[ . 1 . 2]" 1
1552 1 76 ALA H 1 83 THR HA . . 5.400 4.679 4.326 4.906 . 0 0 "[ . 1 . 2]" 1
1553 1 76 ALA H 1 84 VAL H . . 3.400 3.103 2.828 3.340 . 0 0 "[ . 1 . 2]" 1
1554 1 76 ALA H 1 84 VAL HB . . 4.500 3.378 3.125 3.771 . 0 0 "[ . 1 . 2]" 1
1555 1 76 ALA H 1 85 LEU QD . . 5.400 4.511 4.205 5.023 . 0 0 "[ . 1 . 2]" 1
1556 1 76 ALA HA 1 77 THR H . . 2.800 2.379 2.212 2.563 . 0 0 "[ . 1 . 2]" 1
1557 1 76 ALA HA 1 77 THR HA . . 4.800 4.527 4.488 4.625 . 0 0 "[ . 1 . 2]" 1
1558 1 76 ALA HA 1 77 THR HB . . 4.700 4.577 4.264 4.664 . 0 0 "[ . 1 . 2]" 1
1559 1 76 ALA HA 1 77 THR MG . . 5.500 5.512 5.427 5.533 0.033 5 0 "[ . 1 . 2]" 1
1560 1 76 ALA MB 1 77 THR H . . 2.900 2.369 2.189 2.649 . 0 0 "[ . 1 . 2]" 1
1561 1 76 ALA MB 1 84 VAL H . . 4.500 3.563 3.370 3.764 . 0 0 "[ . 1 . 2]" 1
1562 1 76 ALA MB 1 84 VAL HB . . 3.500 2.336 2.178 2.578 . 0 0 "[ . 1 . 2]" 1
1563 1 76 ALA MB 1 85 LEU H . . 5.500 5.500 5.338 5.527 0.027 11 0 "[ . 1 . 2]" 1
1564 1 77 THR H 1 77 THR HB . . 3.200 2.715 2.614 2.891 . 0 0 "[ . 1 . 2]" 1
1565 1 77 THR H 1 77 THR MG . . 4.100 3.916 3.805 3.982 . 0 0 "[ . 1 . 2]" 1
1566 1 77 THR H 1 78 GLY H . . 4.900 4.256 3.891 4.416 . 0 0 "[ . 1 . 2]" 1
1567 1 77 THR HA 1 77 THR MG . . 3.100 2.451 2.382 2.658 . 0 0 "[ . 1 . 2]" 1
1568 1 77 THR HA 1 78 GLY H . . 2.800 2.155 2.067 2.197 . 0 0 "[ . 1 . 2]" 1
1569 1 77 THR HA 1 78 GLY HA2 . . 4.600 4.447 4.431 4.485 . 0 0 "[ . 1 . 2]" 1
1570 1 77 THR HA 1 78 GLY HA3 . . 4.500 4.371 4.312 4.407 . 0 0 "[ . 1 . 2]" 1
1571 1 77 THR HA 1 82 GLU QG . . 5.000 4.261 3.902 4.443 . 0 0 "[ . 1 . 2]" 1
1572 1 77 THR HA 1 84 VAL HB . . 5.300 4.966 4.623 5.242 . 0 0 "[ . 1 . 2]" 1
1573 1 77 THR HB 1 78 GLY H . . 5.000 4.212 4.043 4.499 . 0 0 "[ . 1 . 2]" 1
1574 1 77 THR MG 1 78 GLY H . . 3.700 2.767 2.538 3.298 . 0 0 "[ . 1 . 2]" 1
1575 1 77 THR MG 1 79 GLU HA . . 4.800 4.762 4.575 4.792 . 0 0 "[ . 1 . 2]" 1
1576 1 77 THR MG 1 81 GLY H . . 4.200 3.984 3.289 4.166 . 0 0 "[ . 1 . 2]" 1
1577 1 77 THR MG 1 81 GLY HA2 . . 4.500 3.113 2.601 3.232 . 0 0 "[ . 1 . 2]" 1
1578 1 77 THR MG 1 81 GLY QA . . 3.800 3.056 2.568 3.168 . 0 0 "[ . 1 . 2]" 1
1579 1 77 THR MG 1 81 GLY HA3 . . 4.500 4.454 3.962 4.562 0.062 16 0 "[ . 1 . 2]" 1
1580 1 77 THR MG 1 82 GLU H . . 4.200 3.896 2.818 4.235 0.035 12 0 "[ . 1 . 2]" 1
1581 1 77 THR MG 1 82 GLU HA . . 5.500 4.672 4.261 4.856 . 0 0 "[ . 1 . 2]" 1
1582 1 78 GLY H 1 79 GLU H . . 4.700 4.513 4.234 4.615 . 0 0 "[ . 1 . 2]" 1
1583 1 78 GLY H 1 80 GLU H . . 5.500 5.034 4.768 5.585 0.085 19 0 "[ . 1 . 2]" 1
1584 1 78 GLY H 1 81 GLY H . . 4.700 4.536 4.346 4.766 0.066 14 0 "[ . 1 . 2]" 1
1585 1 78 GLY H 1 82 GLU H . . 4.300 3.465 3.383 3.646 . 0 0 "[ . 1 . 2]" 1
1586 1 78 GLY H 1 82 GLU HB3 . . 5.400 4.986 4.824 5.096 . 0 0 "[ . 1 . 2]" 1
1587 1 78 GLY H 1 82 GLU QG . . 4.100 2.752 2.396 2.980 . 0 0 "[ . 1 . 2]" 1
1588 1 78 GLY H 1 83 THR H . . 5.500 4.587 4.438 4.740 . 0 0 "[ . 1 . 2]" 1
1589 1 78 GLY H 1 84 VAL H . . 4.900 4.440 3.902 4.885 . 0 0 "[ . 1 . 2]" 1
1590 1 78 GLY H 1 84 VAL HB . . 5.500 5.366 5.001 5.516 0.016 15 0 "[ . 1 . 2]" 1
1591 1 78 GLY H 1 84 VAL MG2 . . 4.300 4.026 3.510 4.322 0.022 12 0 "[ . 1 . 2]" 1
1592 1 78 GLY HA2 1 79 GLU H . . 3.400 2.485 2.302 2.741 . 0 0 "[ . 1 . 2]" 1
1593 1 78 GLY HA2 1 79 GLU QB . . 4.900 4.352 3.864 4.654 . 0 0 "[ . 1 . 2]" 1
1594 1 78 GLY HA2 1 80 GLU H . . 5.200 4.627 4.289 5.076 . 0 0 "[ . 1 . 2]" 1
1595 1 78 GLY HA2 1 82 GLU H . . 5.400 5.056 4.913 5.335 . 0 0 "[ . 1 . 2]" 1
1596 1 78 GLY HA3 1 79 GLU H . . 3.500 2.532 2.241 2.661 . 0 0 "[ . 1 . 2]" 1
1597 1 78 GLY HA3 1 80 GLU H . . 4.000 3.659 3.373 3.978 . 0 0 "[ . 1 . 2]" 1
1598 1 78 GLY HA3 1 81 GLY H . . 4.900 4.322 4.219 4.477 . 0 0 "[ . 1 . 2]" 1
1599 1 78 GLY HA3 1 82 GLU H . . 5.500 3.706 3.560 4.083 . 0 0 "[ . 1 . 2]" 1
1600 1 79 GLU H 1 79 GLU HB2 . . 3.600 2.374 2.229 2.591 . 0 0 "[ . 1 . 2]" 1
1601 1 79 GLU H 1 79 GLU QB . . 3.100 2.285 2.074 2.387 . 0 0 "[ . 1 . 2]" 1
1602 1 79 GLU H 1 79 GLU HB3 . . 3.600 3.314 2.225 3.623 0.023 15 0 "[ . 1 . 2]" 1
1603 1 79 GLU H 1 79 GLU HG2 . . 4.500 3.594 2.411 4.551 0.051 9 0 "[ . 1 . 2]" 1
1604 1 79 GLU H 1 79 GLU QG . . 3.800 2.872 2.346 3.908 0.108 19 0 "[ . 1 . 2]" 1
1605 1 79 GLU H 1 79 GLU HG3 . . 4.500 3.322 2.384 4.369 . 0 0 "[ . 1 . 2]" 1
1606 1 79 GLU H 1 80 GLU H . . 3.400 2.859 2.495 3.225 . 0 0 "[ . 1 . 2]" 1
1607 1 79 GLU H 1 81 GLY H . . 4.900 4.173 3.792 4.564 . 0 0 "[ . 1 . 2]" 1
1608 1 79 GLU HA 1 79 GLU QG . . 3.600 2.572 2.183 3.126 . 0 0 "[ . 1 . 2]" 1
1609 1 79 GLU HA 1 81 GLY H . . 4.600 3.545 3.382 4.004 . 0 0 "[ . 1 . 2]" 1
1610 1 79 GLU QB 1 80 GLU H . . 4.100 3.295 2.384 3.572 . 0 0 "[ . 1 . 2]" 1
1611 1 79 GLU QB 1 81 GLY H . . 5.000 4.633 4.466 4.723 . 0 0 "[ . 1 . 2]" 1
1612 1 80 GLU H 1 80 GLU QB . . 3.200 2.487 2.412 2.557 . 0 0 "[ . 1 . 2]" 1
1613 1 80 GLU H 1 80 GLU HG2 . . 3.400 2.678 1.770 2.916 . 0 0 "[ . 1 . 2]" 1
1614 1 80 GLU H 1 80 GLU HG3 . . 4.000 3.832 3.193 4.017 0.017 15 0 "[ . 1 . 2]" 1
1615 1 80 GLU H 1 81 GLY H . . 3.600 2.388 2.178 3.260 . 0 0 "[ . 1 . 2]" 1
1616 1 80 GLU H 1 81 GLY QA . . 4.900 4.272 4.084 4.934 0.034 8 0 "[ . 1 . 2]" 1
1617 1 80 GLU H 1 82 GLU H . . 4.300 3.257 2.964 4.358 0.058 11 0 "[ . 1 . 2]" 1
1618 1 80 GLU HA 1 80 GLU HG2 . . 3.400 3.137 3.050 3.351 . 0 0 "[ . 1 . 2]" 1
1619 1 80 GLU HA 1 80 GLU HG3 . . 4.100 3.762 3.708 3.816 . 0 0 "[ . 1 . 2]" 1
1620 1 80 GLU HA 1 82 GLU H . . 5.000 4.898 4.792 5.056 0.056 14 0 "[ . 1 . 2]" 1
1621 1 80 GLU QB 1 81 GLY H . . 4.200 3.496 3.345 3.539 . 0 0 "[ . 1 . 2]" 1
1622 1 80 GLU QB 1 82 GLU H . . 4.700 3.527 3.383 3.733 . 0 0 "[ . 1 . 2]" 1
1623 1 80 GLU HG2 1 81 GLY H . . 5.500 4.742 4.666 4.836 . 0 0 "[ . 1 . 2]" 1
1624 1 80 GLU HG2 1 82 GLU H . . 5.500 5.469 5.347 5.515 0.015 20 0 "[ . 1 . 2]" 1
1625 1 80 GLU HG3 1 81 GLY H . . 5.500 5.603 5.543 5.668 0.168 8 0 "[ . 1 . 2]" 1
1626 1 81 GLY H 1 82 GLU H . . 3.400 2.444 2.153 2.539 . 0 0 "[ . 1 . 2]" 1
1627 1 81 GLY H 1 82 GLU HA . . 5.100 5.113 4.912 5.165 0.065 19 0 "[ . 1 . 2]" 1
1628 1 81 GLY H 1 82 GLU HB3 . . 4.700 4.707 4.560 4.730 0.030 16 0 "[ . 1 . 2]" 1
1629 1 82 GLU H 1 82 GLU HB2 . . 3.800 3.548 3.529 3.634 . 0 0 "[ . 1 . 2]" 1
1630 1 82 GLU H 1 82 GLU HB3 . . 3.500 2.552 2.475 2.700 . 0 0 "[ . 1 . 2]" 1
1631 1 82 GLU H 1 82 GLU QG . . 3.700 2.767 1.868 3.109 . 0 0 "[ . 1 . 2]" 1
1632 1 82 GLU H 1 83 THR H . . 4.500 4.519 4.397 4.564 0.064 7 0 "[ . 1 . 2]" 1
1633 1 82 GLU HA 1 82 GLU QG . . 3.900 3.501 3.478 3.539 . 0 0 "[ . 1 . 2]" 1
1634 1 82 GLU HA 1 83 THR H . . 3.000 2.622 2.306 2.836 . 0 0 "[ . 1 . 2]" 1
1635 1 82 GLU HA 1 83 THR MG . . 5.500 5.498 5.381 5.540 0.040 19 0 "[ . 1 . 2]" 1
1636 1 82 GLU HB2 1 83 THR H . . 3.600 2.188 1.992 2.301 . 0 0 "[ . 1 . 2]" 1
1637 1 82 GLU HB3 1 83 THR H . . 4.200 3.720 3.555 3.815 . 0 0 "[ . 1 . 2]" 1
1638 1 82 GLU QG 1 83 THR H . . 4.000 3.214 2.933 3.632 . 0 0 "[ . 1 . 2]" 1
1639 1 82 GLU QG 1 83 THR HA . . 5.400 3.962 3.655 4.803 . 0 0 "[ . 1 . 2]" 1
1640 1 82 GLU QG 1 84 VAL MG2 . . 4.400 3.045 2.379 4.092 . 0 0 "[ . 1 . 2]" 1
1641 1 83 THR H 1 83 THR HB . . 4.100 2.760 2.628 2.971 . 0 0 "[ . 1 . 2]" 1
1642 1 83 THR H 1 83 THR MG . . 4.000 3.890 3.812 3.987 . 0 0 "[ . 1 . 2]" 1
1643 1 83 THR H 1 84 VAL H . . 5.000 4.203 3.918 4.460 . 0 0 "[ . 1 . 2]" 1
1644 1 83 THR H 1 84 VAL HA . . 5.500 4.831 4.699 4.995 . 0 0 "[ . 1 . 2]" 1
1645 1 83 THR H 1 84 VAL MG2 . . 4.200 4.056 3.685 4.238 0.038 19 0 "[ . 1 . 2]" 1
1646 1 83 THR HA 1 83 THR MG . . 3.400 2.539 2.389 2.630 . 0 0 "[ . 1 . 2]" 1
1647 1 83 THR HA 1 84 VAL H . . 2.900 2.077 1.983 2.205 . 0 0 "[ . 1 . 2]" 1
1648 1 83 THR HA 1 84 VAL HB . . 5.000 4.417 4.234 4.623 . 0 0 "[ . 1 . 2]" 1
1649 1 83 THR HB 1 84 VAL H . . 4.400 4.198 3.857 4.392 . 0 0 "[ . 1 . 2]" 1
1650 1 83 THR MG 1 84 VAL H . . 4.300 2.632 2.386 2.971 . 0 0 "[ . 1 . 2]" 1
1651 1 83 THR MG 1 85 LEU H . . 5.500 4.498 4.195 4.845 . 0 0 "[ . 1 . 2]" 1
1652 1 84 VAL H 1 84 VAL HB . . 3.400 2.610 2.384 2.814 . 0 0 "[ . 1 . 2]" 1
1653 1 84 VAL H 1 84 VAL MG2 . . 3.300 2.888 2.719 3.067 . 0 0 "[ . 1 . 2]" 1
1654 1 84 VAL HA 1 85 LEU H . . 3.000 2.177 2.138 2.248 . 0 0 "[ . 1 . 2]" 1
1655 1 84 VAL HB 1 85 LEU H . . 4.800 4.085 3.956 4.146 . 0 0 "[ . 1 . 2]" 1
1656 1 84 VAL MG1 1 85 LEU H . . 3.300 2.441 2.328 2.519 . 0 0 "[ . 1 . 2]" 1
1657 1 84 VAL MG2 1 85 LEU H . . 4.100 3.791 3.548 4.003 . 0 0 "[ . 1 . 2]" 1
1658 1 84 VAL MG2 1 85 LEU HA . . 5.500 5.492 5.378 5.553 0.053 10 0 "[ . 1 . 2]" 1
1659 1 85 LEU H 1 85 LEU HB2 . . 3.600 3.165 3.034 3.352 . 0 0 "[ . 1 . 2]" 1
1660 1 85 LEU H 1 85 LEU HB3 . . 3.600 2.711 2.628 2.878 . 0 0 "[ . 1 . 2]" 1
1661 1 85 LEU H 1 85 LEU MD1 . . 5.500 4.537 4.468 4.734 . 0 0 "[ . 1 . 2]" 1
1662 1 85 LEU H 1 85 LEU QD . . 4.700 4.028 3.998 4.054 . 0 0 "[ . 1 . 2]" 1
1663 1 85 LEU H 1 85 LEU MD2 . . 5.500 4.509 4.324 4.582 . 0 0 "[ . 1 . 2]" 1
1664 1 85 LEU H 1 86 VAL H . . 4.700 4.344 4.247 4.459 . 0 0 "[ . 1 . 2]" 1
1665 1 85 LEU HA 1 85 LEU QD . . 3.200 2.371 2.284 3.068 . 0 0 "[ . 1 . 2]" 1
1666 1 85 LEU HA 1 86 VAL H . . 2.900 2.201 2.086 2.290 . 0 0 "[ . 1 . 2]" 1
1667 1 85 LEU HA 1 86 VAL HB . . 5.500 4.588 4.282 4.894 . 0 0 "[ . 1 . 2]" 1
1668 1 85 LEU HA 1 86 VAL QG . . 4.600 3.670 3.440 3.913 . 0 0 "[ . 1 . 2]" 1
1669 1 85 LEU QB 1 86 VAL H . . 4.500 3.547 3.462 3.612 . 0 0 "[ . 1 . 2]" 1
1670 1 85 LEU HB2 1 86 VAL H . . 5.100 4.054 3.836 4.154 . 0 0 "[ . 1 . 2]" 1
1671 1 85 LEU HB3 1 86 VAL H . . 5.100 3.918 3.814 4.006 . 0 0 "[ . 1 . 2]" 1
1672 1 85 LEU QD 1 86 VAL H . . 3.400 2.704 1.862 2.984 . 0 0 "[ . 1 . 2]" 1
1673 1 85 LEU QD 1 87 GLU QG . . 3.300 2.433 1.963 2.564 . 0 0 "[ . 1 . 2]" 1
1674 1 85 LEU MD1 1 86 VAL H . . 4.000 2.833 1.865 4.062 0.062 1 0 "[ . 1 . 2]" 1
1675 1 85 LEU MD2 1 86 VAL H . . 4.000 3.970 2.446 4.089 0.089 5 0 "[ . 1 . 2]" 1
1676 1 85 LEU HG 1 86 VAL H . . 4.700 2.406 2.228 2.723 . 0 0 "[ . 1 . 2]" 1
1677 1 85 LEU HG 1 87 GLU QG . . 4.200 2.510 2.303 4.044 . 0 0 "[ . 1 . 2]" 1
1678 1 86 VAL H 1 86 VAL HB . . 3.400 2.857 2.539 3.272 . 0 0 "[ . 1 . 2]" 1
1679 1 86 VAL H 1 86 VAL MG1 . . 4.500 3.782 2.381 4.067 . 0 0 "[ . 1 . 2]" 1
1680 1 86 VAL H 1 86 VAL QG . . 3.600 2.870 2.365 3.087 . 0 0 "[ . 1 . 2]" 1
1681 1 86 VAL H 1 86 VAL MG2 . . 4.500 3.123 2.849 4.065 . 0 0 "[ . 1 . 2]" 1
1682 1 86 VAL H 1 87 GLU QG . . 4.500 3.606 3.443 3.792 . 0 0 "[ . 1 . 2]" 1
1683 1 86 VAL HA 1 87 GLU H . . 2.900 2.257 2.205 2.296 . 0 0 "[ . 1 . 2]" 1
1684 1 86 VAL HA 1 87 GLU HA . . 5.300 4.447 4.416 4.480 . 0 0 "[ . 1 . 2]" 1
1685 1 86 VAL HA 1 87 GLU QG . . 4.500 3.526 3.254 3.802 . 0 0 "[ . 1 . 2]" 1
1686 1 86 VAL HB 1 87 GLU H . . 4.200 4.099 3.919 4.268 0.068 2 0 "[ . 1 . 2]" 1
1687 1 86 VAL QG 1 87 GLU H . . 3.400 2.407 2.297 2.522 . 0 0 "[ . 1 . 2]" 1
1688 1 86 VAL QG 1 87 GLU HA . . 4.000 3.531 3.254 3.761 . 0 0 "[ . 1 . 2]" 1
1689 1 86 VAL QG 1 88 GLU H . . 4.300 4.266 3.984 4.331 0.031 18 0 "[ . 1 . 2]" 1
1690 1 86 VAL QG 1 88 GLU QG . . 3.300 3.089 2.743 3.306 0.006 6 0 "[ . 1 . 2]" 1
1691 1 87 GLU H 1 87 GLU QB . . 3.400 2.817 2.782 2.884 . 0 0 "[ . 1 . 2]" 1
1692 1 87 GLU H 1 87 GLU QG . . 4.000 3.040 2.949 3.217 . 0 0 "[ . 1 . 2]" 1
1693 1 87 GLU HA 1 87 GLU QG . . 3.500 2.351 2.322 2.411 . 0 0 "[ . 1 . 2]" 1
1694 1 87 GLU HA 1 88 GLU H . . 2.900 2.058 1.995 2.126 . 0 0 "[ . 1 . 2]" 1
1695 1 87 GLU HA 1 88 GLU HA . . 5.500 4.446 4.416 4.461 . 0 0 "[ . 1 . 2]" 1
1696 1 88 GLU H 1 88 GLU HB2 . . 3.900 3.074 2.294 4.011 0.111 17 0 "[ . 1 . 2]" 1
1697 1 88 GLU H 1 88 GLU QB . . 3.300 2.771 2.265 3.287 . 0 0 "[ . 1 . 2]" 1
1698 1 88 GLU H 1 88 GLU HB3 . . 3.900 3.569 3.350 3.900 . 0 0 "[ . 1 . 2]" 1
1699 1 88 GLU H 1 88 GLU QG . . 4.700 3.044 2.478 3.612 . 0 0 "[ . 1 . 2]" 1
1700 1 88 GLU HA 1 89 PRO HD2 . . 3.500 2.386 2.236 2.601 . 0 0 "[ . 1 . 2]" 1
1701 1 88 GLU HA 1 89 PRO QD . . 3.000 2.200 2.112 2.293 . 0 0 "[ . 1 . 2]" 1
1702 1 88 GLU HA 1 89 PRO HD3 . . 3.500 2.607 2.485 2.745 . 0 0 "[ . 1 . 2]" 1
1703 1 88 GLU HA 1 89 PRO HG2 . . 5.000 4.546 4.410 4.700 . 0 0 "[ . 1 . 2]" 1
1704 1 88 GLU HA 1 89 PRO HG3 . . 5.500 4.702 4.624 4.785 . 0 0 "[ . 1 . 2]" 1
1705 1 88 GLU QB 1 89 PRO QD . . 3.400 2.398 2.059 3.007 . 0 0 "[ . 1 . 2]" 1
1706 1 88 GLU QG 1 89 PRO HD2 . . 4.900 3.853 3.713 4.020 . 0 0 "[ . 1 . 2]" 1
1707 1 88 GLU QG 1 89 PRO QD . . 4.200 3.711 3.591 3.850 . 0 0 "[ . 1 . 2]" 1
1708 1 88 GLU QG 1 89 PRO HD3 . . 4.900 4.853 4.689 4.927 0.027 2 0 "[ . 1 . 2]" 1
1709 1 88 GLU QG 1 89 PRO HG2 . . 5.500 5.289 4.693 5.520 0.020 11 0 "[ . 1 . 2]" 1
1710 1 89 PRO HA 1 90 ARG H . . 2.900 2.117 2.037 2.176 . 0 0 "[ . 1 . 2]" 1
1711 1 89 PRO HA 1 90 ARG HA . . 4.900 4.434 4.389 4.481 . 0 0 "[ . 1 . 2]" 1
1712 1 89 PRO HA 1 90 ARG HB2 . . 5.500 4.367 4.007 4.537 . 0 0 "[ . 1 . 2]" 1
1713 1 89 PRO HB2 1 90 ARG H . . 3.800 3.379 3.170 3.579 . 0 0 "[ . 1 . 2]" 1
1714 1 89 PRO HB2 1 90 ARG HA . . 5.500 4.851 4.629 4.956 . 0 0 "[ . 1 . 2]" 1
1715 1 89 PRO HB3 1 90 ARG H . . 4.400 3.813 3.602 3.958 . 0 0 "[ . 1 . 2]" 1
1716 1 89 PRO QD 1 90 ARG H . . 5.000 4.917 4.819 4.969 . 0 0 "[ . 1 . 2]" 1
1717 1 90 ARG H 1 90 ARG HB2 . . 3.300 2.643 2.519 2.755 . 0 0 "[ . 1 . 2]" 1
1718 1 90 ARG H 1 90 ARG HB3 . . 3.300 2.572 2.346 2.717 . 0 0 "[ . 1 . 2]" 1
1719 1 90 ARG H 1 90 ARG QD . . 4.700 4.583 4.415 4.691 . 0 0 "[ . 1 . 2]" 1
1720 1 90 ARG HA 1 90 ARG QD . . 4.800 3.952 3.840 4.051 . 0 0 "[ . 1 . 2]" 1
1721 1 90 ARG HA 1 90 ARG QG . . 2.900 2.374 2.251 2.517 . 0 0 "[ . 1 . 2]" 1
1722 1 90 ARG HB2 1 90 ARG QD . . 3.900 2.345 2.243 2.461 . 0 0 "[ . 1 . 2]" 1
1723 1 90 ARG HB3 1 90 ARG QD . . 2.800 2.647 2.402 2.849 0.049 6 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:41:00 PM GMT (wattos1)