NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
450214 |
2r63   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_2r63
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 715
_Distance_constraint_stats_list.Viol_count 1073
_Distance_constraint_stats_list.Viol_total 1298.886
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0605
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 0.449 0.049 13 0 "[ . 1 . 2]"
1 2 ILE 4.024 0.093 6 0 "[ . 1 . 2]"
1 3 SER 1.646 0.091 7 0 "[ . 1 . 2]"
1 4 SER 1.376 0.082 6 0 "[ . 1 . 2]"
1 5 ARG 7.055 0.093 2 0 "[ . 1 . 2]"
1 6 VAL 3.221 0.091 11 0 "[ . 1 . 2]"
1 7 LYS 2.692 0.089 14 0 "[ . 1 . 2]"
1 8 SER 0.200 0.077 19 0 "[ . 1 . 2]"
1 9 LYS 2.404 0.091 11 0 "[ . 1 . 2]"
1 10 MET 2.758 0.093 12 0 "[ . 1 . 2]"
1 11 ILE 1.050 0.083 3 0 "[ . 1 . 2]"
1 12 GLN 0.811 0.078 10 0 "[ . 1 . 2]"
1 13 LEU 4.286 0.093 12 0 "[ . 1 . 2]"
1 14 GLY 1.199 0.067 18 0 "[ . 1 . 2]"
1 15 LEU 3.702 0.087 7 0 "[ . 1 . 2]"
1 16 ASN 2.815 0.101 14 0 "[ . 1 . 2]"
1 17 GLN 2.026 0.101 14 0 "[ . 1 . 2]"
1 18 ALA 0.510 0.071 10 0 "[ . 1 . 2]"
1 19 GLU 0.842 0.084 6 0 "[ . 1 . 2]"
1 20 LEU 3.272 0.105 7 0 "[ . 1 . 2]"
1 21 ALA 0.548 0.072 20 0 "[ . 1 . 2]"
1 22 GLN 0.168 0.051 12 0 "[ . 1 . 2]"
1 23 LYS 0.168 0.051 12 0 "[ . 1 . 2]"
1 24 VAL 2.069 0.085 19 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 1.630 0.087 2 0 "[ . 1 . 2]"
1 27 THR 3.094 0.092 13 0 "[ . 1 . 2]"
1 28 GLN 0.987 0.086 18 0 "[ . 1 . 2]"
1 29 GLN 2.603 0.097 19 0 "[ . 1 . 2]"
1 30 SER 3.342 0.092 5 0 "[ . 1 . 2]"
1 31 ILE 0.413 0.069 1 0 "[ . 1 . 2]"
1 32 GLU 1.293 0.083 1 0 "[ . 1 . 2]"
1 33 GLN 0.905 0.089 13 0 "[ . 1 . 2]"
1 34 LEU 1.275 0.079 18 0 "[ . 1 . 2]"
1 35 GLU 1.245 0.091 13 0 "[ . 1 . 2]"
1 36 ASN 0.923 0.082 17 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 1.484 0.092 20 0 "[ . 1 . 2]"
1 39 THR 3.291 0.092 20 0 "[ . 1 . 2]"
1 40 LYS 1.919 0.084 4 0 "[ . 1 . 2]"
1 41 ARG 2.026 0.087 6 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.914 0.088 16 0 "[ . 1 . 2]"
1 44 PHE 0.542 0.071 1 0 "[ . 1 . 2]"
1 45 LEU 3.736 0.088 16 0 "[ . 1 . 2]"
1 46 PRO 0.139 0.067 10 0 "[ . 1 . 2]"
1 47 GLU 0.468 0.060 11 0 "[ . 1 . 2]"
1 48 LEU 2.627 0.083 2 0 "[ . 1 . 2]"
1 49 ALA 1.818 0.080 14 0 "[ . 1 . 2]"
1 50 SER 0.054 0.054 8 0 "[ . 1 . 2]"
1 51 ALA 1.248 0.083 2 0 "[ . 1 . 2]"
1 52 LEU 1.826 0.090 11 0 "[ . 1 . 2]"
1 53 GLY 0.094 0.052 6 0 "[ . 1 . 2]"
1 54 VAL 0.105 0.052 6 0 "[ . 1 . 2]"
1 55 SER 1.845 0.085 12 0 "[ . 1 . 2]"
1 56 VAL 2.101 0.085 19 0 "[ . 1 . 2]"
1 57 ASP 0.434 0.085 2 0 "[ . 1 . 2]"
1 58 TRP 6.077 0.094 11 0 "[ . 1 . 2]"
1 59 LEU 3.575 0.093 2 0 "[ . 1 . 2]"
1 60 LEU 1.223 0.080 13 0 "[ . 1 . 2]"
1 61 ASN 1.650 0.088 18 0 "[ . 1 . 2]"
1 62 GLY 1.636 0.092 11 0 "[ . 1 . 2]"
1 63 THR 2.647 0.094 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 1 SER HB2 . . 3.000 2.709 2.352 3.047 0.047 11 0 "[ . 1 . 2]" 1
2 1 1 SER HA 1 1 SER HB3 . . 3.000 2.652 2.267 3.049 0.049 13 0 "[ . 1 . 2]" 1
3 1 1 SER HA 1 2 ILE H . . 3.300 2.458 2.157 2.728 . 0 0 "[ . 1 . 2]" 1
4 1 1 SER QB 1 2 ILE H . . 3.780 2.824 2.184 3.502 . 0 0 "[ . 1 . 2]" 1
5 1 1 SER QB 1 3 SER H . . 4.680 3.498 2.618 4.277 . 0 0 "[ . 1 . 2]" 1
6 1 1 SER HB2 1 2 ILE H . . 4.300 3.420 2.464 4.193 . 0 0 "[ . 1 . 2]" 1
7 1 1 SER HB3 1 2 ILE H . . 4.300 3.229 2.213 4.035 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 2 ILE HB . . 3.300 2.238 2.043 3.276 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE H 1 2 ILE MG . . 4.400 3.217 2.207 3.654 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE H 1 3 SER H . . 3.900 2.597 1.953 3.168 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE HA 1 2 ILE HB . . 2.900 2.841 2.477 2.993 0.093 6 0 "[ . 1 . 2]" 1
12 1 2 ILE HA 1 2 ILE MD . . 4.000 2.702 2.206 3.494 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE HA 1 2 ILE QG . . 3.710 2.328 2.030 2.594 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE HA 1 5 ARG H . . 3.300 3.363 3.206 3.390 0.090 9 0 "[ . 1 . 2]" 1
15 1 2 ILE HA 1 5 ARG HB2 . . 4.300 2.756 2.571 2.940 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE HA 1 5 ARG HB3 . . 4.300 4.335 4.116 4.385 0.085 14 0 "[ . 1 . 2]" 1
17 1 2 ILE HA 1 5 ARG HE . . 5.000 3.826 2.495 5.020 0.020 8 0 "[ . 1 . 2]" 1
18 1 2 ILE HA 1 6 VAL QG . . 7.560 4.003 3.245 4.403 . 0 0 "[ . 1 . 2]" 1
19 1 2 ILE HB 1 3 SER H . . 3.500 3.071 2.528 3.591 0.091 1 0 "[ . 1 . 2]" 1
20 1 2 ILE QG 1 5 ARG HE . . 5.880 3.928 2.694 4.993 . 0 0 "[ . 1 . 2]" 1
21 1 2 ILE MG 1 3 SER H . . 3.800 2.474 1.891 2.973 . 0 0 "[ . 1 . 2]" 1
22 1 3 SER H 1 3 SER HB2 . . 3.300 2.517 2.099 3.384 0.084 11 0 "[ . 1 . 2]" 1
23 1 3 SER H 1 3 SER QB . . 2.930 2.212 2.080 2.374 . 0 0 "[ . 1 . 2]" 1
24 1 3 SER H 1 3 SER HB3 . . 3.300 2.712 2.161 3.391 0.091 7 0 "[ . 1 . 2]" 1
25 1 3 SER HA 1 6 VAL H . . 3.600 3.485 3.233 3.669 0.069 12 0 "[ . 1 . 2]" 1
26 1 3 SER HA 1 6 VAL QG . . 7.260 3.172 2.908 3.781 . 0 0 "[ . 1 . 2]" 1
27 1 3 SER HA 1 7 LYS H . . 3.700 3.606 3.312 3.780 0.080 9 0 "[ . 1 . 2]" 1
28 1 3 SER QB 1 37 GLY H . . 5.880 4.379 3.210 5.321 . 0 0 "[ . 1 . 2]" 1
29 1 4 SER H 1 4 SER QB . . 3.860 2.386 2.033 2.999 . 0 0 "[ . 1 . 2]" 1
30 1 4 SER H 1 5 ARG H . . 3.100 2.844 2.090 3.152 0.052 2 0 "[ . 1 . 2]" 1
31 1 4 SER H 1 6 VAL H . . 4.400 4.375 3.811 4.478 0.078 9 0 "[ . 1 . 2]" 1
32 1 4 SER HA 1 7 LYS H . . 4.000 3.880 3.375 4.082 0.082 6 0 "[ . 1 . 2]" 1
33 1 4 SER HA 1 7 LYS QD . . 4.600 3.471 2.374 4.175 . 0 0 "[ . 1 . 2]" 1
34 1 4 SER HA 1 8 SER H . . 3.700 3.535 3.158 3.777 0.077 19 0 "[ . 1 . 2]" 1
35 1 5 ARG H 1 5 ARG HB2 . . 3.200 2.282 2.080 2.487 . 0 0 "[ . 1 . 2]" 1
36 1 5 ARG H 1 5 ARG HB3 . . 3.500 3.502 3.260 3.570 0.070 17 0 "[ . 1 . 2]" 1
37 1 5 ARG H 1 6 VAL H . . 3.100 2.689 2.042 2.902 . 0 0 "[ . 1 . 2]" 1
38 1 5 ARG HA 1 5 ARG QG . . 3.770 2.229 2.151 2.345 . 0 0 "[ . 1 . 2]" 1
39 1 5 ARG HA 1 58 TRP HH2 . . 5.000 4.269 3.790 4.728 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG HA 1 58 TRP HZ2 . . 5.000 4.166 3.596 4.930 . 0 0 "[ . 1 . 2]" 1
41 1 5 ARG HB2 1 5 ARG HE . . 5.000 3.310 2.281 4.331 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG HB2 1 58 TRP HH2 . . 4.300 4.320 4.020 4.384 0.084 8 0 "[ . 1 . 2]" 1
43 1 5 ARG HB2 1 58 TRP HZ2 . . 5.000 4.897 4.552 5.075 0.075 1 0 "[ . 1 . 2]" 1
44 1 5 ARG HB2 1 58 TRP HZ3 . . 5.000 4.835 4.465 5.063 0.063 18 0 "[ . 1 . 2]" 1
45 1 5 ARG HB3 1 5 ARG HE . . 5.000 3.499 2.582 4.571 . 0 0 "[ . 1 . 2]" 1
46 1 5 ARG HB3 1 6 VAL H . . 3.200 3.091 2.711 3.273 0.073 9 0 "[ . 1 . 2]" 1
47 1 5 ARG HB3 1 58 TRP HH2 . . 5.000 2.832 2.610 3.270 . 0 0 "[ . 1 . 2]" 1
48 1 5 ARG HB3 1 58 TRP HZ2 . . 5.000 3.289 2.827 3.750 . 0 0 "[ . 1 . 2]" 1
49 1 5 ARG HB3 1 58 TRP HZ3 . . 4.200 3.814 3.283 4.273 0.073 10 0 "[ . 1 . 2]" 1
50 1 5 ARG HE 1 59 LEU HA . . 3.800 3.672 2.831 3.893 0.093 2 0 "[ . 1 . 2]" 1
51 1 5 ARG HE 1 62 GLY H . . 5.000 4.647 3.503 5.092 0.092 11 0 "[ . 1 . 2]" 1
52 1 5 ARG QG 1 58 TRP HH2 . . 5.880 4.347 3.483 5.343 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG QG 1 58 TRP HZ2 . . 5.880 3.450 2.484 4.831 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL H 1 6 VAL HB . . 2.700 2.321 2.195 2.470 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL H 1 6 VAL MG1 . . 4.400 3.730 3.673 3.799 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL H 1 6 VAL QG . . 3.610 2.250 2.083 2.420 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL H 1 6 VAL MG2 . . 4.400 2.270 2.094 2.450 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL H 1 7 LYS H . . 2.900 2.853 2.598 2.975 0.075 6 0 "[ . 1 . 2]" 1
59 1 6 VAL HA 1 9 LYS H . . 4.500 3.838 3.574 4.161 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL HA 1 9 LYS HB2 . . 3.600 3.634 3.231 3.691 0.091 11 0 "[ . 1 . 2]" 1
61 1 6 VAL HA 1 9 LYS HB3 . . 5.000 3.578 3.032 4.357 . 0 0 "[ . 1 . 2]" 1
62 1 6 VAL HA 1 52 LEU MD2 . . 6.000 3.736 3.208 4.333 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL HB 1 7 LYS H . . 2.800 2.349 2.158 2.554 . 0 0 "[ . 1 . 2]" 1
64 1 6 VAL QG 1 7 LYS H . . 7.560 2.789 2.570 3.061 . 0 0 "[ . 1 . 2]" 1
65 1 6 VAL QG 1 10 MET ME . . 6.060 2.855 2.343 3.086 . 0 0 "[ . 1 . 2]" 1
66 1 6 VAL QG 1 59 LEU MD1 . . 6.260 3.264 2.795 3.536 . 0 0 "[ . 1 . 2]" 1
67 1 6 VAL QG 1 59 LEU MD2 . . 5.960 1.938 1.848 2.151 . 0 0 "[ . 1 . 2]" 1
68 1 7 LYS H 1 7 LYS HB2 . . 3.500 2.742 2.089 3.589 0.089 14 0 "[ . 1 . 2]" 1
69 1 7 LYS H 1 7 LYS QB . . 3.000 2.361 2.056 2.722 . 0 0 "[ . 1 . 2]" 1
70 1 7 LYS H 1 7 LYS HB3 . . 3.500 2.942 2.429 3.564 0.064 7 0 "[ . 1 . 2]" 1
71 1 7 LYS H 1 7 LYS QD . . 4.600 3.966 2.971 4.251 . 0 0 "[ . 1 . 2]" 1
72 1 7 LYS H 1 8 SER H . . 4.100 2.951 2.733 3.360 . 0 0 "[ . 1 . 2]" 1
73 1 7 LYS H 1 9 LYS H . . 4.400 4.289 4.100 4.470 0.070 19 0 "[ . 1 . 2]" 1
74 1 7 LYS HA 1 10 MET H . . 4.400 3.340 2.875 3.700 . 0 0 "[ . 1 . 2]" 1
75 1 7 LYS HA 1 10 MET HB2 . . 3.400 2.984 2.205 3.478 0.078 9 0 "[ . 1 . 2]" 1
76 1 7 LYS HA 1 11 ILE H . . 4.500 3.868 3.553 4.187 . 0 0 "[ . 1 . 2]" 1
77 1 7 LYS QG 1 10 MET ME . . 5.000 2.964 2.133 3.794 . 0 0 "[ . 1 . 2]" 1
78 1 8 SER H 1 8 SER QB . . 3.800 2.451 2.144 2.782 . 0 0 "[ . 1 . 2]" 1
79 1 8 SER H 1 9 LYS H . . 3.300 2.872 2.720 3.154 . 0 0 "[ . 1 . 2]" 1
80 1 8 SER HA 1 11 ILE H . . 4.700 3.340 3.070 3.764 . 0 0 "[ . 1 . 2]" 1
81 1 8 SER HA 1 11 ILE HB . . 3.100 2.424 2.156 2.851 . 0 0 "[ . 1 . 2]" 1
82 1 8 SER HA 1 11 ILE MD . . 3.400 2.484 2.442 2.513 . 0 0 "[ . 1 . 2]" 1
83 1 8 SER HA 1 11 ILE MG . . 6.000 3.692 3.358 4.040 . 0 0 "[ . 1 . 2]" 1
84 1 8 SER HA 1 12 GLN H . . 4.900 4.141 3.822 4.684 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS H 1 9 LYS HB3 . . 2.900 2.849 2.593 2.990 0.090 19 0 "[ . 1 . 2]" 1
86 1 9 LYS H 1 10 MET H . . 3.000 2.640 2.249 2.892 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS H 1 52 LEU MD2 . . 6.000 4.649 4.248 4.924 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS HA 1 9 LYS QE . . 5.880 4.068 2.511 4.963 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS HA 1 12 GLN H . . 3.700 3.604 3.286 3.778 0.078 10 0 "[ . 1 . 2]" 1
90 1 9 LYS HB2 1 9 LYS QD . . 3.600 2.498 2.122 2.955 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS HB2 1 52 LEU MD2 . . 6.000 4.251 3.472 4.978 . 0 0 "[ . 1 . 2]" 1
92 1 9 LYS HB3 1 10 MET H . . 3.600 2.532 2.153 2.900 . 0 0 "[ . 1 . 2]" 1
93 1 9 LYS HB3 1 52 LEU MD2 . . 4.700 2.861 2.077 3.631 . 0 0 "[ . 1 . 2]" 1
94 1 9 LYS HB3 1 54 VAL MG1 . . 5.400 4.307 3.577 4.542 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS QD 1 54 VAL MG1 . . 6.000 2.676 1.947 4.354 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS QE 1 54 VAL MG1 . . 5.390 2.824 1.948 4.083 . 0 0 "[ . 1 . 2]" 1
97 1 9 LYS HE2 1 54 VAL MG1 . . 5.800 3.556 2.162 4.839 . 0 0 "[ . 1 . 2]" 1
98 1 9 LYS HE3 1 54 VAL MG1 . . 5.800 3.263 2.058 4.882 . 0 0 "[ . 1 . 2]" 1
99 1 9 LYS QG 1 54 VAL MG1 . . 5.480 3.466 2.354 4.208 . 0 0 "[ . 1 . 2]" 1
100 1 10 MET H 1 10 MET HB2 . . 3.300 2.430 2.032 2.872 . 0 0 "[ . 1 . 2]" 1
101 1 10 MET H 1 11 ILE H . . 3.200 2.871 2.674 3.118 . 0 0 "[ . 1 . 2]" 1
102 1 10 MET H 1 11 ILE MD . . 6.000 4.007 3.840 4.175 . 0 0 "[ . 1 . 2]" 1
103 1 10 MET H 1 52 LEU MD1 . . 4.400 3.228 2.619 3.543 . 0 0 "[ . 1 . 2]" 1
104 1 10 MET H 1 52 LEU MD2 . . 4.400 2.938 2.420 3.365 . 0 0 "[ . 1 . 2]" 1
105 1 10 MET HA 1 13 LEU H . . 4.300 3.477 3.334 3.696 . 0 0 "[ . 1 . 2]" 1
106 1 10 MET HA 1 13 LEU HB3 . . 3.100 3.183 3.175 3.193 0.093 12 0 "[ . 1 . 2]" 1
107 1 10 MET HA 1 13 LEU MD1 . . 6.000 3.373 2.313 4.702 . 0 0 "[ . 1 . 2]" 1
108 1 10 MET HA 1 13 LEU QD . . 5.390 2.797 2.306 3.805 . 0 0 "[ . 1 . 2]" 1
109 1 10 MET HA 1 13 LEU MD2 . . 6.000 3.893 2.462 4.773 . 0 0 "[ . 1 . 2]" 1
110 1 10 MET HA 1 14 GLY H . . 5.000 4.186 3.964 4.380 . 0 0 "[ . 1 . 2]" 1
111 1 10 MET HA 1 15 LEU H . . 3.900 3.529 3.161 3.832 . 0 0 "[ . 1 . 2]" 1
112 1 10 MET HA 1 15 LEU HB2 . . 3.800 2.976 2.212 3.475 . 0 0 "[ . 1 . 2]" 1
113 1 10 MET HA 1 15 LEU QD . . 6.400 3.701 2.348 4.277 . 0 0 "[ . 1 . 2]" 1
114 1 10 MET HA 1 52 LEU MD1 . . 6.000 3.835 2.243 4.903 . 0 0 "[ . 1 . 2]" 1
115 1 10 MET HA 1 52 LEU MD2 . . 3.900 2.907 2.598 3.241 . 0 0 "[ . 1 . 2]" 1
116 1 10 MET HB2 1 10 MET ME . . 4.000 2.390 2.120 2.768 . 0 0 "[ . 1 . 2]" 1
117 1 10 MET HB2 1 11 ILE H . . 3.800 3.577 2.361 3.883 0.083 3 0 "[ . 1 . 2]" 1
118 1 10 MET HB2 1 11 ILE MD . . 5.200 3.868 2.511 4.191 . 0 0 "[ . 1 . 2]" 1
119 1 10 MET HB2 1 20 LEU QD . . 7.570 2.858 2.187 4.142 . 0 0 "[ . 1 . 2]" 1
120 1 10 MET HB2 1 52 LEU MD1 . . 5.500 3.865 3.047 4.429 . 0 0 "[ . 1 . 2]" 1
121 1 10 MET HB2 1 52 LEU MD2 . . 6.000 2.671 2.087 4.105 . 0 0 "[ . 1 . 2]" 1
122 1 10 MET HB3 1 10 MET ME . . 3.400 2.302 2.152 2.638 . 0 0 "[ . 1 . 2]" 1
123 1 10 MET HB3 1 11 ILE H . . 3.600 2.597 2.281 3.361 . 0 0 "[ . 1 . 2]" 1
124 1 10 MET HB3 1 20 LEU QD . . 6.270 3.723 3.301 4.391 . 0 0 "[ . 1 . 2]" 1
125 1 10 MET HB3 1 52 LEU MD2 . . 6.000 3.864 3.097 4.581 . 0 0 "[ . 1 . 2]" 1
126 1 10 MET ME 1 11 ILE MD . . 4.600 2.989 2.820 3.193 . 0 0 "[ . 1 . 2]" 1
127 1 10 MET ME 1 16 ASN HA . . 4.400 3.616 2.974 3.799 . 0 0 "[ . 1 . 2]" 1
128 1 10 MET ME 1 17 GLN QG . . 4.880 3.034 2.453 3.310 . 0 0 "[ . 1 . 2]" 1
129 1 10 MET ME 1 20 LEU MD1 . . 4.400 2.604 2.029 3.003 . 0 0 "[ . 1 . 2]" 1
130 1 10 MET ME 1 20 LEU MD2 . . 4.400 1.925 1.805 2.880 . 0 0 "[ . 1 . 2]" 1
131 1 10 MET ME 1 20 LEU HG . . 4.700 3.724 1.969 3.855 . 0 0 "[ . 1 . 2]" 1
132 1 10 MET QG 1 15 LEU HB2 . . 4.880 2.176 1.971 2.714 . 0 0 "[ . 1 . 2]" 1
133 1 10 MET QG 1 20 LEU QD . . 6.650 2.717 2.021 3.926 . 0 0 "[ . 1 . 2]" 1
134 1 11 ILE H 1 11 ILE HB . . 2.700 2.270 2.122 2.433 . 0 0 "[ . 1 . 2]" 1
135 1 11 ILE H 1 11 ILE MD . . 4.800 2.151 2.026 2.357 . 0 0 "[ . 1 . 2]" 1
136 1 11 ILE H 1 11 ILE HG12 . . 4.500 4.061 4.009 4.128 . 0 0 "[ . 1 . 2]" 1
137 1 11 ILE H 1 11 ILE QG . . 3.890 3.446 3.318 3.548 . 0 0 "[ . 1 . 2]" 1
138 1 11 ILE H 1 11 ILE HG13 . . 4.500 3.727 3.529 3.878 . 0 0 "[ . 1 . 2]" 1
139 1 11 ILE HA 1 11 ILE QG . . 3.710 2.246 2.184 2.284 . 0 0 "[ . 1 . 2]" 1
140 1 11 ILE HA 1 11 ILE MG . . 3.400 2.685 2.525 2.815 . 0 0 "[ . 1 . 2]" 1
141 1 11 ILE HB 1 12 GLN H . . 2.900 2.624 2.462 2.775 . 0 0 "[ . 1 . 2]" 1
142 1 11 ILE MD 1 12 GLN H . . 6.000 4.220 4.044 4.375 . 0 0 "[ . 1 . 2]" 1
143 1 11 ILE HG12 1 12 GLN H . . 5.000 5.007 4.877 5.066 0.066 18 0 "[ . 1 . 2]" 1
144 1 11 ILE HG13 1 12 GLN H . . 5.000 4.942 4.832 4.998 . 0 0 "[ . 1 . 2]" 1
145 1 11 ILE MG 1 12 GLN H . . 3.400 2.612 2.517 2.641 . 0 0 "[ . 1 . 2]" 1
146 1 11 ILE MG 1 12 GLN QG . . 6.880 4.051 2.526 5.004 . 0 0 "[ . 1 . 2]" 1
147 1 12 GLN H 1 12 GLN QB . . 3.500 2.316 2.049 2.616 . 0 0 "[ . 1 . 2]" 1
148 1 12 GLN H 1 14 GLY H . . 4.700 4.080 3.891 4.562 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU H 1 13 LEU HB2 . . 3.300 2.040 1.962 2.118 . 0 0 "[ . 1 . 2]" 1
150 1 13 LEU H 1 13 LEU HB3 . . 4.000 3.362 3.232 3.432 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU H 1 13 LEU MD1 . . 4.800 3.528 2.519 4.060 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU H 1 13 LEU QD . . 4.230 2.939 2.476 3.500 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU H 1 13 LEU MD2 . . 4.800 3.533 2.513 4.076 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU H 1 13 LEU HG . . 5.000 3.516 2.616 4.232 . 0 0 "[ . 1 . 2]" 1
155 1 13 LEU H 1 14 GLY H . . 3.700 2.684 2.564 2.851 . 0 0 "[ . 1 . 2]" 1
156 1 13 LEU HA 1 14 GLY H . . 3.500 3.517 3.485 3.564 0.064 9 0 "[ . 1 . 2]" 1
157 1 13 LEU HB2 1 14 GLY H . . 4.000 3.094 2.720 3.347 . 0 0 "[ . 1 . 2]" 1
158 1 13 LEU HB2 1 15 LEU H . . 3.200 3.268 3.131 3.287 0.087 7 0 "[ . 1 . 2]" 1
159 1 13 LEU HB3 1 14 GLY H . . 3.400 3.400 2.923 3.467 0.067 18 0 "[ . 1 . 2]" 1
160 1 13 LEU QD 1 52 LEU HA . . 6.370 3.176 2.250 4.904 . 0 0 "[ . 1 . 2]" 1
161 1 14 GLY H 1 15 LEU H . . 3.200 2.284 2.091 2.554 . 0 0 "[ . 1 . 2]" 1
162 1 14 GLY H 1 15 LEU HB2 . . 5.000 4.372 4.067 4.749 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU H 1 15 LEU HB3 . . 3.500 3.556 3.510 3.578 0.078 19 0 "[ . 1 . 2]" 1
164 1 15 LEU HA 1 16 ASN H . . 2.600 2.466 2.194 2.643 0.043 14 0 "[ . 1 . 2]" 1
165 1 15 LEU HA 1 19 GLU HB2 . . 5.000 3.309 2.754 3.874 . 0 0 "[ . 1 . 2]" 1
166 1 15 LEU HA 1 19 GLU HB3 . . 5.000 4.061 3.457 4.668 . 0 0 "[ . 1 . 2]" 1
167 1 15 LEU HB2 1 16 ASN H . . 3.900 3.745 3.325 3.963 0.063 13 0 "[ . 1 . 2]" 1
168 1 15 LEU HB2 1 20 LEU H . . 5.000 5.030 4.798 5.075 0.075 16 0 "[ . 1 . 2]" 1
169 1 15 LEU HB3 1 16 ASN H . . 3.300 2.399 2.126 2.743 . 0 0 "[ . 1 . 2]" 1
170 1 15 LEU HB3 1 20 LEU H . . 4.300 3.448 3.339 3.618 . 0 0 "[ . 1 . 2]" 1
171 1 15 LEU QD 1 16 ASN H . . 7.200 3.336 2.847 3.845 . 0 0 "[ . 1 . 2]" 1
172 1 15 LEU QD 1 19 GLU HB2 . . 5.900 2.632 2.190 3.284 . 0 0 "[ . 1 . 2]" 1
173 1 15 LEU QD 1 19 GLU HB3 . . 6.900 2.202 1.917 3.041 . 0 0 "[ . 1 . 2]" 1
174 1 15 LEU QD 1 19 GLU QG . . 8.280 3.331 2.379 4.261 . 0 0 "[ . 1 . 2]" 1
175 1 15 LEU QD 1 20 LEU HA . . 6.500 3.399 2.952 4.515 . 0 0 "[ . 1 . 2]" 1
176 1 15 LEU QD 1 20 LEU HB3 . . 7.400 5.176 4.907 5.737 . 0 0 "[ . 1 . 2]" 1
177 1 15 LEU QD 1 23 LYS HE2 . . 6.900 2.982 2.104 4.634 . 0 0 "[ . 1 . 2]" 1
178 1 15 LEU QD 1 23 LYS QE . . 6.310 2.557 1.847 4.097 . 0 0 "[ . 1 . 2]" 1
179 1 15 LEU QD 1 23 LYS HE3 . . 6.900 2.974 2.037 4.565 . 0 0 "[ . 1 . 2]" 1
180 1 16 ASN H 1 19 GLU H . . 4.500 3.326 3.013 3.741 . 0 0 "[ . 1 . 2]" 1
181 1 16 ASN H 1 19 GLU HB2 . . 3.100 2.119 1.882 2.340 . 0 0 "[ . 1 . 2]" 1
182 1 16 ASN H 1 19 GLU HB3 . . 3.700 3.667 3.339 3.784 0.084 6 0 "[ . 1 . 2]" 1
183 1 16 ASN H 1 20 LEU H . . 5.000 3.367 2.834 3.695 . 0 0 "[ . 1 . 2]" 1
184 1 16 ASN HA 1 17 GLN H . . 3.100 2.504 2.318 2.688 . 0 0 "[ . 1 . 2]" 1
185 1 16 ASN QB 1 17 GLN H . . 3.180 2.303 1.945 3.027 . 0 0 "[ . 1 . 2]" 1
186 1 16 ASN HB2 1 17 GLN H . . 3.400 2.485 1.955 3.501 0.101 14 0 "[ . 1 . 2]" 1
187 1 16 ASN HB2 1 18 ALA H . . 5.000 3.837 3.062 5.047 0.047 17 0 "[ . 1 . 2]" 1
188 1 16 ASN HB3 1 17 GLN H . . 3.400 3.382 2.557 3.494 0.094 16 0 "[ . 1 . 2]" 1
189 1 16 ASN HB3 1 18 ALA H . . 5.000 4.288 2.974 5.059 0.059 2 0 "[ . 1 . 2]" 1
190 1 16 ASN HD21 1 18 ALA MB . . 6.000 3.693 2.292 4.811 . 0 0 "[ . 1 . 2]" 1
191 1 16 ASN HD22 1 18 ALA MB . . 6.000 3.162 1.979 4.907 . 0 0 "[ . 1 . 2]" 1
192 1 16 ASN HD22 1 19 GLU QG . . 5.880 3.764 1.922 5.289 . 0 0 "[ . 1 . 2]" 1
193 1 17 GLN H 1 17 GLN HB2 . . 3.100 2.524 2.224 2.730 . 0 0 "[ . 1 . 2]" 1
194 1 17 GLN H 1 17 GLN HG2 . . 4.000 3.458 2.042 3.999 . 0 0 "[ . 1 . 2]" 1
195 1 17 GLN H 1 17 GLN HG3 . . 4.000 2.539 2.173 3.267 . 0 0 "[ . 1 . 2]" 1
196 1 17 GLN H 1 18 ALA H . . 3.500 2.952 2.693 3.195 . 0 0 "[ . 1 . 2]" 1
197 1 17 GLN HA 1 20 LEU H . . 4.100 3.711 3.371 3.965 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLN HA 1 20 LEU HB2 . . 3.900 3.295 2.728 3.793 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLN HA 1 20 LEU HB3 . . 4.000 2.534 2.159 3.024 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLN HA 1 21 ALA H . . 5.000 3.889 3.558 4.240 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLN HA 1 31 ILE MG . . 3.400 2.591 2.233 2.851 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLN HB2 1 18 ALA H . . 3.100 2.684 2.234 2.962 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLN HB2 1 28 GLN HE21 . . 5.000 3.698 2.222 4.537 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLN HB3 1 17 GLN QG . . 2.700 2.393 2.291 2.467 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLN HE21 1 31 ILE MG . . 5.500 3.443 2.124 4.540 . 0 0 "[ . 1 . 2]" 1
206 1 17 GLN HE21 1 32 GLU HA . . 5.000 4.216 2.924 5.083 0.083 1 0 "[ . 1 . 2]" 1
207 1 17 GLN HE22 1 32 GLU HA . . 5.000 3.649 2.872 4.778 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLN HE22 1 35 GLU QB . . 5.880 3.939 2.568 5.343 . 0 0 "[ . 1 . 2]" 1
209 1 17 GLN QG 1 28 GLN HE21 . . 5.880 4.748 3.804 5.353 . 0 0 "[ . 1 . 2]" 1
210 1 17 GLN QG 1 31 ILE MG . . 5.180 2.606 2.220 3.591 . 0 0 "[ . 1 . 2]" 1
211 1 18 ALA H 1 18 ALA MB . . 3.400 2.235 2.188 2.276 . 0 0 "[ . 1 . 2]" 1
212 1 18 ALA H 1 19 GLU H . . 3.900 2.858 2.608 3.060 . 0 0 "[ . 1 . 2]" 1
213 1 18 ALA H 1 20 LEU H . . 5.000 4.119 3.829 4.438 . 0 0 "[ . 1 . 2]" 1
214 1 18 ALA HA 1 21 ALA H . . 3.700 3.599 3.323 3.756 0.056 3 0 "[ . 1 . 2]" 1
215 1 18 ALA HA 1 21 ALA MB . . 4.200 2.903 2.604 3.249 . 0 0 "[ . 1 . 2]" 1
216 1 18 ALA HA 1 22 GLN H . . 5.000 4.112 3.918 4.282 . 0 0 "[ . 1 . 2]" 1
217 1 18 ALA HA 1 28 GLN HE22 . . 5.000 3.608 2.299 5.071 0.071 10 0 "[ . 1 . 2]" 1
218 1 18 ALA HA 1 28 GLN QG . . 5.880 3.566 1.981 4.729 . 0 0 "[ . 1 . 2]" 1
219 1 18 ALA MB 1 19 GLU H . . 3.900 2.291 2.114 2.632 . 0 0 "[ . 1 . 2]" 1
220 1 18 ALA MB 1 28 GLN HE21 . . 6.000 4.253 2.226 5.016 . 0 0 "[ . 1 . 2]" 1
221 1 18 ALA MB 1 28 GLN HE22 . . 5.600 3.780 2.342 4.536 . 0 0 "[ . 1 . 2]" 1
222 1 18 ALA MB 1 28 GLN QG . . 6.880 4.105 2.621 4.928 . 0 0 "[ . 1 . 2]" 1
223 1 19 GLU H 1 19 GLU HB2 . . 2.900 2.483 2.259 2.938 0.038 14 0 "[ . 1 . 2]" 1
224 1 19 GLU H 1 19 GLU HG2 . . 5.000 2.877 1.882 4.000 . 0 0 "[ . 1 . 2]" 1
225 1 19 GLU H 1 19 GLU QG . . 4.350 2.390 1.853 3.372 . 0 0 "[ . 1 . 2]" 1
226 1 19 GLU H 1 19 GLU HG3 . . 5.000 2.956 1.874 3.866 . 0 0 "[ . 1 . 2]" 1
227 1 19 GLU H 1 20 LEU H . . 3.300 2.776 2.465 3.100 . 0 0 "[ . 1 . 2]" 1
228 1 19 GLU HA 1 19 GLU QG . . 3.680 2.548 2.124 3.112 . 0 0 "[ . 1 . 2]" 1
229 1 19 GLU HB2 1 20 LEU H . . 3.000 2.695 2.320 3.064 0.064 11 0 "[ . 1 . 2]" 1
230 1 20 LEU H 1 20 LEU HB2 . . 3.100 2.396 2.130 2.604 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU H 1 20 LEU HB3 . . 2.700 2.566 2.367 2.765 0.065 4 0 "[ . 1 . 2]" 1
232 1 20 LEU H 1 21 ALA H . . 3.200 2.934 2.788 3.165 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU H 1 22 GLN H . . 5.000 4.195 4.007 4.434 . 0 0 "[ . 1 . 2]" 1
234 1 20 LEU HA 1 20 LEU HB2 . . 2.900 2.482 2.362 2.672 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU HA 1 20 LEU HG . . 3.000 3.023 2.889 3.105 0.105 7 0 "[ . 1 . 2]" 1
236 1 20 LEU HB3 1 20 LEU HG . . 2.400 2.464 2.408 2.481 0.081 19 0 "[ . 1 . 2]" 1
237 1 20 LEU HB3 1 31 ILE MD . . 6.000 4.044 3.449 4.700 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU QD 1 21 ALA H . . 7.570 3.681 3.252 4.013 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU QD 1 31 ILE MD . . 8.570 2.745 2.043 3.636 . 0 0 "[ . 1 . 2]" 1
240 1 21 ALA H 1 21 ALA MB . . 3.400 2.228 2.200 2.272 . 0 0 "[ . 1 . 2]" 1
241 1 21 ALA H 1 22 GLN H . . 3.300 2.789 2.508 2.879 . 0 0 "[ . 1 . 2]" 1
242 1 21 ALA H 1 28 GLN HA . . 5.000 4.788 4.389 5.072 0.072 20 0 "[ . 1 . 2]" 1
243 1 21 ALA H 1 31 ILE MD . . 6.000 3.831 3.468 4.140 . 0 0 "[ . 1 . 2]" 1
244 1 21 ALA H 1 31 ILE QG . . 5.880 2.840 2.615 3.090 . 0 0 "[ . 1 . 2]" 1
245 1 21 ALA H 1 31 ILE MG . . 6.000 3.740 3.200 4.171 . 0 0 "[ . 1 . 2]" 1
246 1 21 ALA HA 1 24 VAL H . . 4.000 3.739 3.465 3.887 . 0 0 "[ . 1 . 2]" 1
247 1 21 ALA HA 1 24 VAL HB . . 3.600 2.734 2.587 2.860 . 0 0 "[ . 1 . 2]" 1
248 1 21 ALA HA 1 24 VAL MG2 . . 3.900 3.039 2.735 3.175 . 0 0 "[ . 1 . 2]" 1
249 1 21 ALA HA 1 25 GLY H . . 4.200 3.882 3.614 4.171 . 0 0 "[ . 1 . 2]" 1
250 1 21 ALA HA 1 26 THR H . . 4.200 3.441 3.158 3.737 . 0 0 "[ . 1 . 2]" 1
251 1 21 ALA HA 1 26 THR MG . . 3.700 2.547 2.237 3.073 . 0 0 "[ . 1 . 2]" 1
252 1 21 ALA HA 1 31 ILE MD . . 3.400 2.281 2.071 2.439 . 0 0 "[ . 1 . 2]" 1
253 1 21 ALA HA 1 31 ILE HG12 . . 4.400 2.882 2.435 3.469 . 0 0 "[ . 1 . 2]" 1
254 1 21 ALA HA 1 31 ILE QG . . 3.970 2.597 2.172 3.013 . 0 0 "[ . 1 . 2]" 1
255 1 21 ALA HA 1 31 ILE HG13 . . 4.400 3.236 2.300 4.263 . 0 0 "[ . 1 . 2]" 1
256 1 21 ALA MB 1 22 GLN H . . 3.900 2.505 2.298 2.679 . 0 0 "[ . 1 . 2]" 1
257 1 21 ALA MB 1 22 GLN HA . . 5.600 3.807 3.619 3.924 . 0 0 "[ . 1 . 2]" 1
258 1 21 ALA MB 1 23 LYS H . . 6.000 4.754 4.504 4.928 . 0 0 "[ . 1 . 2]" 1
259 1 21 ALA MB 1 26 THR H . . 5.600 3.666 3.410 4.325 . 0 0 "[ . 1 . 2]" 1
260 1 21 ALA MB 1 26 THR MG . . 5.200 2.866 2.297 3.296 . 0 0 "[ . 1 . 2]" 1
261 1 21 ALA MB 1 28 GLN HA . . 3.400 2.270 2.075 2.491 . 0 0 "[ . 1 . 2]" 1
262 1 21 ALA MB 1 28 GLN QG . . 5.580 3.399 2.098 4.275 . 0 0 "[ . 1 . 2]" 1
263 1 21 ALA MB 1 31 ILE H . . 6.000 3.867 3.508 4.261 . 0 0 "[ . 1 . 2]" 1
264 1 21 ALA MB 1 31 ILE HB . . 5.500 3.019 2.410 3.675 . 0 0 "[ . 1 . 2]" 1
265 1 21 ALA MB 1 31 ILE MD . . 4.700 2.820 2.197 3.211 . 0 0 "[ . 1 . 2]" 1
266 1 22 GLN H 1 22 GLN QB . . 3.600 2.206 2.065 2.559 . 0 0 "[ . 1 . 2]" 1
267 1 22 GLN H 1 22 GLN HG2 . . 5.000 4.113 2.362 4.578 . 0 0 "[ . 1 . 2]" 1
268 1 22 GLN H 1 22 GLN HG3 . . 5.000 4.126 2.318 4.603 . 0 0 "[ . 1 . 2]" 1
269 1 22 GLN H 1 23 LYS H . . 3.000 2.864 2.613 3.051 0.051 12 0 "[ . 1 . 2]" 1
270 1 22 GLN QB 1 23 LYS H . . 4.300 2.413 2.111 3.320 . 0 0 "[ . 1 . 2]" 1
271 1 23 LYS H 1 23 LYS QB . . 3.200 2.380 2.108 2.970 . 0 0 "[ . 1 . 2]" 1
272 1 23 LYS H 1 23 LYS HG2 . . 5.000 3.535 1.995 4.591 . 0 0 "[ . 1 . 2]" 1
273 1 23 LYS H 1 23 LYS QG . . 4.400 2.862 1.891 4.026 . 0 0 "[ . 1 . 2]" 1
274 1 23 LYS H 1 23 LYS HG3 . . 5.000 3.311 2.171 4.455 . 0 0 "[ . 1 . 2]" 1
275 1 23 LYS H 1 25 GLY H . . 4.500 4.003 3.748 4.411 . 0 0 "[ . 1 . 2]" 1
276 1 23 LYS HA 1 23 LYS HG2 . . 4.100 3.039 2.370 3.841 . 0 0 "[ . 1 . 2]" 1
277 1 23 LYS HA 1 23 LYS QG . . 3.710 2.582 2.180 3.390 . 0 0 "[ . 1 . 2]" 1
278 1 23 LYS HA 1 23 LYS HG3 . . 4.100 2.981 2.242 3.834 . 0 0 "[ . 1 . 2]" 1
279 1 24 VAL H 1 26 THR MG . . 6.000 4.316 4.104 4.471 . 0 0 "[ . 1 . 2]" 1
280 1 24 VAL H 1 51 ALA MB . . 5.100 3.143 2.830 3.501 . 0 0 "[ . 1 . 2]" 1
281 1 24 VAL HA 1 24 VAL HB . . 2.900 2.982 2.978 2.985 0.085 19 0 "[ . 1 . 2]" 1
282 1 24 VAL HA 1 24 VAL MG1 . . 3.500 2.378 2.279 2.445 . 0 0 "[ . 1 . 2]" 1
283 1 24 VAL HA 1 24 VAL MG2 . . 3.400 2.495 2.368 2.564 . 0 0 "[ . 1 . 2]" 1
284 1 24 VAL HA 1 47 GLU HB2 . . 4.100 4.022 3.384 4.160 0.060 11 0 "[ . 1 . 2]" 1
285 1 24 VAL HA 1 47 GLU QB . . 3.760 2.911 2.390 3.175 . 0 0 "[ . 1 . 2]" 1
286 1 24 VAL HA 1 47 GLU HB3 . . 4.100 2.993 2.443 3.315 . 0 0 "[ . 1 . 2]" 1
287 1 24 VAL HA 1 51 ALA MB . . 4.800 2.417 2.087 3.184 . 0 0 "[ . 1 . 2]" 1
288 1 24 VAL HB 1 25 GLY H . . 3.600 2.438 2.148 2.659 . 0 0 "[ . 1 . 2]" 1
289 1 24 VAL HB 1 26 THR H . . 4.200 2.701 2.388 2.894 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL HB 1 26 THR MG . . 3.400 2.187 2.083 2.317 . 0 0 "[ . 1 . 2]" 1
291 1 24 VAL HB 1 31 ILE MD . . 5.600 3.284 2.833 3.665 . 0 0 "[ . 1 . 2]" 1
292 1 24 VAL MG1 1 25 GLY H . . 5.600 3.407 3.072 3.679 . 0 0 "[ . 1 . 2]" 1
293 1 24 VAL MG1 1 26 THR H . . 3.900 3.036 2.410 3.145 . 0 0 "[ . 1 . 2]" 1
294 1 24 VAL MG1 1 26 THR HA . . 5.500 4.108 3.827 4.429 . 0 0 "[ . 1 . 2]" 1
295 1 24 VAL MG1 1 26 THR HB . . 3.800 2.618 2.365 2.955 . 0 0 "[ . 1 . 2]" 1
296 1 24 VAL MG1 1 26 THR MG . . 4.400 2.076 1.940 2.245 . 0 0 "[ . 1 . 2]" 1
297 1 24 VAL MG1 1 31 ILE MD . . 5.100 3.128 2.628 3.322 . 0 0 "[ . 1 . 2]" 1
298 1 24 VAL MG1 1 44 PHE CG . . 8.000 3.036 2.831 3.233 . 0 0 "[ . 1 . 2]" 1
299 1 24 VAL MG1 1 44 PHE CZ . . 8.000 4.091 3.167 4.579 . 0 0 "[ . 1 . 2]" 1
300 1 24 VAL MG1 1 44 PHE HB2 . . 4.400 2.353 2.089 2.682 . 0 0 "[ . 1 . 2]" 1
301 1 24 VAL MG1 1 44 PHE HB3 . . 4.900 3.331 3.001 3.698 . 0 0 "[ . 1 . 2]" 1
302 1 24 VAL MG1 1 47 GLU H . . 6.000 4.611 4.360 4.840 . 0 0 "[ . 1 . 2]" 1
303 1 24 VAL MG1 1 47 GLU HB2 . . 3.400 2.493 2.085 2.665 . 0 0 "[ . 1 . 2]" 1
304 1 24 VAL MG1 1 47 GLU HB3 . . 3.400 2.635 2.287 2.734 . 0 0 "[ . 1 . 2]" 1
305 1 24 VAL MG1 1 47 GLU QG . . 6.880 3.760 3.276 4.178 . 0 0 "[ . 1 . 2]" 1
306 1 24 VAL MG1 1 48 LEU H . . 4.400 3.049 2.866 3.288 . 0 0 "[ . 1 . 2]" 1
307 1 24 VAL MG1 1 48 LEU HA . . 3.800 2.921 2.690 2.974 . 0 0 "[ . 1 . 2]" 1
308 1 24 VAL MG1 1 48 LEU QB . . 6.180 2.982 2.815 3.267 . 0 0 "[ . 1 . 2]" 1
309 1 24 VAL MG2 1 25 GLY H . . 4.500 3.809 3.721 3.839 . 0 0 "[ . 1 . 2]" 1
310 1 24 VAL MG2 1 26 THR H . . 6.000 4.289 3.994 4.447 . 0 0 "[ . 1 . 2]" 1
311 1 24 VAL MG2 1 26 THR HB . . 6.000 4.842 4.557 5.029 . 0 0 "[ . 1 . 2]" 1
312 1 24 VAL MG2 1 26 THR MG . . 4.900 2.964 2.751 3.117 . 0 0 "[ . 1 . 2]" 1
313 1 24 VAL MG2 1 31 ILE MD . . 7.000 2.577 2.167 3.180 . 0 0 "[ . 1 . 2]" 1
314 1 24 VAL MG2 1 44 PHE HB2 . . 5.900 4.463 4.096 4.866 . 0 0 "[ . 1 . 2]" 1
315 1 24 VAL MG2 1 48 LEU H . . 6.000 3.985 3.716 4.276 . 0 0 "[ . 1 . 2]" 1
316 1 24 VAL MG2 1 48 LEU HA . . 3.400 2.091 2.001 2.239 . 0 0 "[ . 1 . 2]" 1
317 1 24 VAL MG2 1 51 ALA H . . 6.000 4.178 3.630 4.549 . 0 0 "[ . 1 . 2]" 1
318 1 25 GLY H 1 26 THR H . . 2.900 2.334 1.966 2.577 . 0 0 "[ . 1 . 2]" 1
319 1 25 GLY H 1 26 THR MG . . 6.000 3.587 3.128 3.769 . 0 0 "[ . 1 . 2]" 1
320 1 26 THR H 1 26 THR HB . . 4.000 3.262 2.708 3.453 . 0 0 "[ . 1 . 2]" 1
321 1 26 THR H 1 26 THR MG . . 3.800 2.192 1.982 2.357 . 0 0 "[ . 1 . 2]" 1
322 1 26 THR HA 1 26 THR HB . . 2.900 2.431 2.369 2.491 . 0 0 "[ . 1 . 2]" 1
323 1 26 THR HA 1 27 THR H . . 2.700 2.667 2.529 2.754 0.054 3 0 "[ . 1 . 2]" 1
324 1 26 THR HA 1 27 THR MG . . 5.000 3.665 3.210 3.928 . 0 0 "[ . 1 . 2]" 1
325 1 26 THR HB 1 27 THR H . . 3.500 3.570 3.533 3.587 0.087 2 0 "[ . 1 . 2]" 1
326 1 26 THR HB 1 44 PHE CG . . 7.000 3.262 2.883 3.673 . 0 0 "[ . 1 . 2]" 1
327 1 26 THR MG 1 27 THR H . . 4.500 2.943 2.742 3.322 . 0 0 "[ . 1 . 2]" 1
328 1 26 THR MG 1 30 SER H . . 6.000 4.182 3.965 4.616 . 0 0 "[ . 1 . 2]" 1
329 1 26 THR MG 1 30 SER HB2 . . 5.000 3.289 2.561 4.103 . 0 0 "[ . 1 . 2]" 1
330 1 26 THR MG 1 30 SER QB . . 4.770 2.614 2.163 3.165 . 0 0 "[ . 1 . 2]" 1
331 1 26 THR MG 1 30 SER HB3 . . 5.000 2.783 2.290 3.465 . 0 0 "[ . 1 . 2]" 1
332 1 26 THR MG 1 31 ILE H . . 6.000 3.510 3.141 3.961 . 0 0 "[ . 1 . 2]" 1
333 1 26 THR MG 1 31 ILE MD . . 4.500 1.933 1.713 2.290 . 0 0 "[ . 1 . 2]" 1
334 1 26 THR MG 1 31 ILE HG12 . . 4.600 3.002 2.321 3.760 . 0 0 "[ . 1 . 2]" 1
335 1 26 THR MG 1 31 ILE QG . . 4.220 2.824 2.285 3.337 . 0 0 "[ . 1 . 2]" 1
336 1 26 THR MG 1 31 ILE HG13 . . 4.600 3.655 3.407 3.897 . 0 0 "[ . 1 . 2]" 1
337 1 26 THR MG 1 44 PHE CG . . 8.000 3.394 3.042 4.137 . 0 0 "[ . 1 . 2]" 1
338 1 26 THR MG 1 44 PHE CZ . . 8.000 3.013 2.736 3.453 . 0 0 "[ . 1 . 2]" 1
339 1 26 THR MG 1 44 PHE HB2 . . 6.000 4.033 3.531 4.932 . 0 0 "[ . 1 . 2]" 1
340 1 26 THR MG 1 44 PHE HZ . . 6.000 3.393 2.636 3.905 . 0 0 "[ . 1 . 2]" 1
341 1 27 THR H 1 27 THR MG . . 3.700 2.552 2.191 2.984 . 0 0 "[ . 1 . 2]" 1
342 1 27 THR H 1 30 SER H . . 3.500 3.549 3.282 3.592 0.092 13 0 "[ . 1 . 2]" 1
343 1 27 THR HA 1 28 GLN H . . 2.800 2.298 2.210 2.437 . 0 0 "[ . 1 . 2]" 1
344 1 27 THR HA 1 29 GLN H . . 5.000 4.086 3.840 4.364 . 0 0 "[ . 1 . 2]" 1
345 1 27 THR HB 1 28 GLN H . . 3.200 2.971 2.604 3.266 0.066 13 0 "[ . 1 . 2]" 1
346 1 27 THR HB 1 29 GLN H . . 3.300 2.694 2.279 3.039 . 0 0 "[ . 1 . 2]" 1
347 1 27 THR HB 1 29 GLN HB2 . . 5.000 3.135 2.163 5.052 0.052 3 0 "[ . 1 . 2]" 1
348 1 27 THR HB 1 29 GLN HB3 . . 5.000 3.875 2.646 4.801 . 0 0 "[ . 1 . 2]" 1
349 1 27 THR HB 1 30 SER H . . 3.600 3.233 2.877 3.662 0.062 4 0 "[ . 1 . 2]" 1
350 1 27 THR MG 1 28 GLN H . . 6.000 3.827 3.372 4.118 . 0 0 "[ . 1 . 2]" 1
351 1 27 THR MG 1 29 GLN H . . 6.000 4.308 3.986 4.614 . 0 0 "[ . 1 . 2]" 1
352 1 28 GLN H 1 28 GLN HB2 . . 3.200 2.362 2.008 2.654 . 0 0 "[ . 1 . 2]" 1
353 1 28 GLN H 1 28 GLN HB3 . . 3.200 2.722 2.266 3.286 0.086 18 0 "[ . 1 . 2]" 1
354 1 28 GLN H 1 28 GLN HG2 . . 5.000 4.392 3.394 4.689 . 0 0 "[ . 1 . 2]" 1
355 1 28 GLN H 1 28 GLN QG . . 4.820 3.892 3.156 4.114 . 0 0 "[ . 1 . 2]" 1
356 1 28 GLN H 1 28 GLN HG3 . . 5.000 4.370 3.374 4.576 . 0 0 "[ . 1 . 2]" 1
357 1 28 GLN H 1 29 GLN H . . 3.600 2.718 2.288 3.084 . 0 0 "[ . 1 . 2]" 1
358 1 28 GLN H 1 30 SER H . . 5.000 4.276 4.007 4.466 . 0 0 "[ . 1 . 2]" 1
359 1 28 GLN HA 1 31 ILE H . . 3.700 3.227 2.929 3.513 . 0 0 "[ . 1 . 2]" 1
360 1 28 GLN HA 1 31 ILE HB . . 3.500 2.768 2.223 3.558 0.058 1 0 "[ . 1 . 2]" 1
361 1 28 GLN HA 1 31 ILE MD . . 6.000 3.912 2.877 4.671 . 0 0 "[ . 1 . 2]" 1
362 1 28 GLN HA 1 31 ILE QG . . 5.880 3.219 2.430 4.499 . 0 0 "[ . 1 . 2]" 1
363 1 28 GLN HA 1 31 ILE MG . . 6.000 4.101 3.609 4.752 . 0 0 "[ . 1 . 2]" 1
364 1 28 GLN HA 1 32 GLU H . . 5.000 4.215 3.802 4.901 . 0 0 "[ . 1 . 2]" 1
365 1 28 GLN QB 1 29 GLN H . . 3.510 2.642 2.313 2.965 . 0 0 "[ . 1 . 2]" 1
366 1 28 GLN HB2 1 29 GLN H . . 4.000 3.751 2.962 4.055 0.055 11 0 "[ . 1 . 2]" 1
367 1 28 GLN HB3 1 29 GLN H . . 4.000 2.723 2.336 3.200 . 0 0 "[ . 1 . 2]" 1
368 1 29 GLN H 1 29 GLN HB2 . . 3.300 2.421 2.054 3.382 0.082 18 0 "[ . 1 . 2]" 1
369 1 29 GLN H 1 29 GLN HB3 . . 3.300 3.066 2.105 3.395 0.095 17 0 "[ . 1 . 2]" 1
370 1 29 GLN H 1 30 SER H . . 3.400 2.992 2.746 3.160 . 0 0 "[ . 1 . 2]" 1
371 1 29 GLN HA 1 29 GLN HB3 . . 2.800 2.686 2.337 2.897 0.097 19 0 "[ . 1 . 2]" 1
372 1 29 GLN HA 1 32 GLU H . . 3.500 3.449 3.132 3.568 0.068 5 0 "[ . 1 . 2]" 1
373 1 29 GLN HA 1 33 GLN H . . 5.000 3.947 3.526 4.226 . 0 0 "[ . 1 . 2]" 1
374 1 29 GLN HB3 1 30 SER H . . 3.800 3.296 2.576 3.861 0.061 17 0 "[ . 1 . 2]" 1
375 1 29 GLN QG 1 30 SER H . . 6.000 4.051 2.217 4.708 . 0 0 "[ . 1 . 2]" 1
376 1 30 SER H 1 30 SER HB2 . . 3.200 2.149 1.969 2.557 . 0 0 "[ . 1 . 2]" 1
377 1 30 SER H 1 30 SER QB . . 2.980 2.100 1.955 2.358 . 0 0 "[ . 1 . 2]" 1
378 1 30 SER H 1 30 SER HB3 . . 3.200 3.168 2.766 3.292 0.092 5 0 "[ . 1 . 2]" 1
379 1 30 SER H 1 31 ILE H . . 3.400 2.686 2.386 2.860 . 0 0 "[ . 1 . 2]" 1
380 1 30 SER H 1 32 GLU H . . 4.600 4.306 3.968 4.655 0.055 10 0 "[ . 1 . 2]" 1
381 1 30 SER HA 1 33 GLN H . . 4.500 3.418 2.980 3.936 . 0 0 "[ . 1 . 2]" 1
382 1 30 SER HA 1 33 GLN HB3 . . 3.200 2.763 2.230 3.282 0.082 3 0 "[ . 1 . 2]" 1
383 1 30 SER HA 1 44 PHE HZ . . 5.000 4.321 3.896 4.890 . 0 0 "[ . 1 . 2]" 1
384 1 30 SER QB 1 31 ILE H . . 4.060 2.858 2.389 3.306 . 0 0 "[ . 1 . 2]" 1
385 1 30 SER QB 1 44 PHE CG . . 7.880 4.712 4.086 5.368 . 0 0 "[ . 1 . 2]" 1
386 1 30 SER QB 1 44 PHE HZ . . 4.110 2.703 2.523 3.157 . 0 0 "[ . 1 . 2]" 1
387 1 30 SER HB2 1 31 ILE H . . 4.400 3.386 2.605 4.284 . 0 0 "[ . 1 . 2]" 1
388 1 30 SER HB2 1 44 PHE CZ . . 7.000 4.530 4.289 4.757 . 0 0 "[ . 1 . 2]" 1
389 1 30 SER HB2 1 44 PHE HZ . . 4.400 4.336 3.965 4.471 0.071 1 0 "[ . 1 . 2]" 1
390 1 30 SER HB3 1 31 ILE H . . 4.400 3.147 2.669 3.548 . 0 0 "[ . 1 . 2]" 1
391 1 30 SER HB3 1 44 PHE CZ . . 7.000 3.019 2.626 3.606 . 0 0 "[ . 1 . 2]" 1
392 1 30 SER HB3 1 44 PHE HZ . . 4.400 2.733 2.542 3.229 . 0 0 "[ . 1 . 2]" 1
393 1 31 ILE H 1 31 ILE HB . . 2.900 2.411 2.185 2.600 . 0 0 "[ . 1 . 2]" 1
394 1 31 ILE H 1 31 ILE HG12 . . 4.800 3.028 2.143 4.162 . 0 0 "[ . 1 . 2]" 1
395 1 31 ILE H 1 31 ILE QG . . 4.330 2.842 2.128 3.679 . 0 0 "[ . 1 . 2]" 1
396 1 31 ILE H 1 31 ILE HG13 . . 4.800 3.906 3.651 4.197 . 0 0 "[ . 1 . 2]" 1
397 1 31 ILE H 1 32 GLU H . . 3.200 2.686 2.528 2.921 . 0 0 "[ . 1 . 2]" 1
398 1 31 ILE HA 1 31 ILE MD . . 3.500 2.235 2.069 2.593 . 0 0 "[ . 1 . 2]" 1
399 1 31 ILE HA 1 34 LEU H . . 4.300 3.379 2.839 3.782 . 0 0 "[ . 1 . 2]" 1
400 1 31 ILE HA 1 34 LEU HB2 . . 5.000 3.230 2.484 4.286 . 0 0 "[ . 1 . 2]" 1
401 1 31 ILE HA 1 34 LEU HB3 . . 3.000 2.825 2.203 3.069 0.069 1 0 "[ . 1 . 2]" 1
402 1 31 ILE HA 1 44 PHE CZ . . 7.000 4.701 4.131 5.357 . 0 0 "[ . 1 . 2]" 1
403 1 31 ILE HA 1 44 PHE HZ . . 4.700 3.948 3.176 4.680 . 0 0 "[ . 1 . 2]" 1
404 1 31 ILE HB 1 31 ILE QG . . 2.590 2.242 2.148 2.393 . 0 0 "[ . 1 . 2]" 1
405 1 31 ILE MD 1 34 LEU QD . . 8.570 3.930 2.481 4.586 . 0 0 "[ . 1 . 2]" 1
406 1 31 ILE MD 1 44 PHE CG . . 8.000 4.772 4.384 5.232 . 0 0 "[ . 1 . 2]" 1
407 1 31 ILE MD 1 44 PHE CZ . . 8.000 3.483 2.898 3.906 . 0 0 "[ . 1 . 2]" 1
408 1 31 ILE MD 1 44 PHE HZ . . 6.000 3.285 2.508 3.729 . 0 0 "[ . 1 . 2]" 1
409 1 31 ILE MD 1 48 LEU QD . . 8.400 3.920 3.296 4.560 . 0 0 "[ . 1 . 2]" 1
410 1 31 ILE MG 1 32 GLU H . . 5.500 3.232 2.820 3.548 . 0 0 "[ . 1 . 2]" 1
411 1 31 ILE MG 1 35 GLU QG . . 6.700 4.006 2.406 4.841 . 0 0 "[ . 1 . 2]" 1
412 1 32 GLU H 1 32 GLU HB2 . . 2.800 2.420 2.146 2.665 . 0 0 "[ . 1 . 2]" 1
413 1 32 GLU H 1 32 GLU HB3 . . 3.000 2.635 2.412 2.915 . 0 0 "[ . 1 . 2]" 1
414 1 32 GLU H 1 32 GLU HG2 . . 5.000 4.492 4.386 4.628 . 0 0 "[ . 1 . 2]" 1
415 1 32 GLU H 1 32 GLU HG3 . . 4.800 4.451 4.024 4.659 . 0 0 "[ . 1 . 2]" 1
416 1 32 GLU H 1 33 GLN H . . 3.200 2.825 2.598 3.025 . 0 0 "[ . 1 . 2]" 1
417 1 32 GLU HA 1 35 GLU H . . 4.000 3.501 3.116 4.053 0.053 5 0 "[ . 1 . 2]" 1
418 1 32 GLU HA 1 35 GLU QB . . 4.480 2.901 2.293 4.116 . 0 0 "[ . 1 . 2]" 1
419 1 32 GLU HG2 1 33 GLN H . . 5.000 4.103 3.525 4.830 . 0 0 "[ . 1 . 2]" 1
420 1 32 GLU HG2 1 36 ASN HD21 . . 5.000 4.253 2.475 5.080 0.080 13 0 "[ . 1 . 2]" 1
421 1 33 GLN H 1 33 GLN HB3 . . 3.000 2.634 2.205 3.089 0.089 13 0 "[ . 1 . 2]" 1
422 1 33 GLN H 1 33 GLN HG2 . . 4.900 4.304 3.052 4.612 . 0 0 "[ . 1 . 2]" 1
423 1 33 GLN H 1 33 GLN QG . . 4.340 3.806 2.979 3.999 . 0 0 "[ . 1 . 2]" 1
424 1 33 GLN H 1 33 GLN HG3 . . 4.900 4.323 3.682 4.620 . 0 0 "[ . 1 . 2]" 1
425 1 33 GLN H 1 34 LEU H . . 3.500 2.801 2.183 2.964 . 0 0 "[ . 1 . 2]" 1
426 1 33 GLN HA 1 36 ASN H . . 4.000 3.559 2.781 4.046 0.046 18 0 "[ . 1 . 2]" 1
427 1 33 GLN HA 1 36 ASN QB . . 5.000 3.016 1.987 4.510 . 0 0 "[ . 1 . 2]" 1
428 1 33 GLN HA 1 36 ASN HD21 . . 5.000 3.211 2.362 3.826 . 0 0 "[ . 1 . 2]" 1
429 1 33 GLN HA 1 36 ASN HD22 . . 5.000 4.219 2.023 5.082 0.082 17 0 "[ . 1 . 2]" 1
430 1 34 LEU H 1 34 LEU HB2 . . 3.200 2.332 2.154 2.661 . 0 0 "[ . 1 . 2]" 1
431 1 34 LEU H 1 34 LEU HB3 . . 2.800 2.703 2.424 2.870 0.070 17 0 "[ . 1 . 2]" 1
432 1 34 LEU H 1 34 LEU HG . . 5.000 4.496 4.267 4.623 . 0 0 "[ . 1 . 2]" 1
433 1 34 LEU H 1 35 GLU H . . 3.400 2.674 2.404 2.894 . 0 0 "[ . 1 . 2]" 1
434 1 34 LEU HA 1 34 LEU HB2 . . 3.000 2.556 2.395 2.711 . 0 0 "[ . 1 . 2]" 1
435 1 34 LEU HA 1 34 LEU MD1 . . 4.100 2.735 2.012 3.530 . 0 0 "[ . 1 . 2]" 1
436 1 34 LEU HA 1 34 LEU QD . . 3.580 2.268 1.943 3.033 . 0 0 "[ . 1 . 2]" 1
437 1 34 LEU HA 1 34 LEU MD2 . . 4.100 2.662 2.147 3.585 . 0 0 "[ . 1 . 2]" 1
438 1 34 LEU HA 1 37 GLY H . . 4.800 3.401 2.815 4.188 . 0 0 "[ . 1 . 2]" 1
439 1 34 LEU HA 1 38 LYS H . . 4.800 3.583 2.321 4.864 0.064 4 0 "[ . 1 . 2]" 1
440 1 34 LEU HB2 1 35 GLU H . . 4.900 3.772 3.512 4.049 . 0 0 "[ . 1 . 2]" 1
441 1 34 LEU HB2 1 44 PHE HZ . . 5.000 3.029 2.372 3.827 . 0 0 "[ . 1 . 2]" 1
442 1 34 LEU HB3 1 35 GLU H . . 2.900 2.691 2.306 2.958 0.058 19 0 "[ . 1 . 2]" 1
443 1 34 LEU HB3 1 44 PHE HZ . . 5.000 4.223 3.189 5.071 0.071 3 0 "[ . 1 . 2]" 1
444 1 34 LEU QD 1 39 THR H . . 7.570 4.042 2.954 5.119 . 0 0 "[ . 1 . 2]" 1
445 1 34 LEU QD 1 42 PRO QD . . 6.150 2.802 1.974 3.666 . 0 0 "[ . 1 . 2]" 1
446 1 34 LEU QD 1 44 PHE HZ . . 5.590 2.788 2.149 3.835 . 0 0 "[ . 1 . 2]" 1
447 1 34 LEU MD1 1 35 GLU H . . 6.000 4.155 2.947 5.066 . 0 0 "[ . 1 . 2]" 1
448 1 34 LEU MD1 1 42 PRO HB3 . . 6.000 3.663 2.041 5.051 . 0 0 "[ . 1 . 2]" 1
449 1 34 LEU MD1 1 42 PRO HD2 . . 7.750 4.951 3.692 6.436 . 0 0 "[ . 1 . 2]" 1
450 1 34 LEU MD1 1 42 PRO HD3 . . 7.750 3.742 2.188 5.842 . 0 0 "[ . 1 . 2]" 1
451 1 34 LEU MD1 1 44 PHE HZ . . 6.000 4.197 2.482 5.112 . 0 0 "[ . 1 . 2]" 1
452 1 34 LEU MD2 1 35 GLU H . . 6.000 4.442 3.429 4.930 . 0 0 "[ . 1 . 2]" 1
453 1 34 LEU MD2 1 42 PRO HB3 . . 6.000 3.025 2.064 4.638 . 0 0 "[ . 1 . 2]" 1
454 1 34 LEU MD2 1 42 PRO HD2 . . 7.750 4.530 3.676 5.648 . 0 0 "[ . 1 . 2]" 1
455 1 34 LEU MD2 1 42 PRO HD3 . . 7.750 3.418 2.241 4.910 . 0 0 "[ . 1 . 2]" 1
456 1 34 LEU MD2 1 44 PHE HZ . . 6.000 3.316 2.152 4.999 . 0 0 "[ . 1 . 2]" 1
457 1 34 LEU HG 1 35 GLU H . . 5.000 4.746 3.806 5.079 0.079 18 0 "[ . 1 . 2]" 1
458 1 35 GLU H 1 35 GLU HB2 . . 3.400 2.692 2.179 3.490 0.090 12 0 "[ . 1 . 2]" 1
459 1 35 GLU H 1 35 GLU QB . . 3.040 2.245 2.089 2.585 . 0 0 "[ . 1 . 2]" 1
460 1 35 GLU H 1 35 GLU HB3 . . 3.400 2.783 2.110 3.491 0.091 13 0 "[ . 1 . 2]" 1
461 1 35 GLU H 1 36 ASN H . . 3.100 2.724 2.354 3.003 . 0 0 "[ . 1 . 2]" 1
462 1 35 GLU QG 1 36 ASN H . . 6.000 3.555 2.073 4.693 . 0 0 "[ . 1 . 2]" 1
463 1 36 ASN H 1 37 GLY H . . 3.200 2.653 2.220 2.956 . 0 0 "[ . 1 . 2]" 1
464 1 36 ASN HD22 1 38 LYS QD . . 6.000 4.529 2.355 5.457 . 0 0 "[ . 1 . 2]" 1
465 1 37 GLY H 1 38 LYS H . . 3.200 2.606 2.090 2.981 . 0 0 "[ . 1 . 2]" 1
466 1 38 LYS H 1 38 LYS HB2 . . 3.100 2.409 2.120 3.169 0.069 20 0 "[ . 1 . 2]" 1
467 1 38 LYS H 1 38 LYS HB3 . . 3.600 3.486 2.448 3.676 0.076 16 0 "[ . 1 . 2]" 1
468 1 38 LYS H 1 38 LYS HG2 . . 4.700 3.622 2.074 4.713 0.013 16 0 "[ . 1 . 2]" 1
469 1 38 LYS H 1 38 LYS QG . . 4.320 3.070 2.060 3.988 . 0 0 "[ . 1 . 2]" 1
470 1 38 LYS H 1 38 LYS HG3 . . 4.700 3.668 2.157 4.459 . 0 0 "[ . 1 . 2]" 1
471 1 38 LYS H 1 39 THR H . . 3.000 2.729 2.169 3.092 0.092 20 0 "[ . 1 . 2]" 1
472 1 38 LYS HA 1 39 THR H . . 3.500 3.396 2.774 3.576 0.076 17 0 "[ . 1 . 2]" 1
473 1 38 LYS HB2 1 39 THR H . . 4.100 3.178 2.091 4.171 0.071 10 0 "[ . 1 . 2]" 1
474 1 38 LYS HB3 1 38 LYS QG . . 2.600 2.285 2.115 2.428 . 0 0 "[ . 1 . 2]" 1
475 1 38 LYS HB3 1 39 THR H . . 5.000 3.477 2.174 4.498 . 0 0 "[ . 1 . 2]" 1
476 1 39 THR H 1 39 THR HB . . 3.300 2.802 2.250 3.383 0.083 4 0 "[ . 1 . 2]" 1
477 1 39 THR H 1 40 LYS H . . 5.000 4.373 3.890 4.691 . 0 0 "[ . 1 . 2]" 1
478 1 39 THR HA 1 39 THR HB . . 2.900 2.914 2.408 2.985 0.085 8 0 "[ . 1 . 2]" 1
479 1 39 THR HA 1 39 THR MG . . 3.500 2.573 2.273 3.070 . 0 0 "[ . 1 . 2]" 1
480 1 39 THR HA 1 40 LYS H . . 2.900 2.304 2.028 2.542 . 0 0 "[ . 1 . 2]" 1
481 1 39 THR HA 1 41 ARG H . . 4.800 4.419 3.805 4.878 0.078 12 0 "[ . 1 . 2]" 1
482 1 39 THR HB 1 40 LYS H . . 4.000 3.973 3.541 4.084 0.084 4 0 "[ . 1 . 2]" 1
483 1 39 THR MG 1 40 LYS H . . 5.600 2.470 1.904 2.928 . 0 0 "[ . 1 . 2]" 1
484 1 39 THR MG 1 40 LYS HA . . 6.000 4.068 3.704 4.363 . 0 0 "[ . 1 . 2]" 1
485 1 39 THR MG 1 41 ARG H . . 6.000 2.610 1.886 3.351 . 0 0 "[ . 1 . 2]" 1
486 1 39 THR MG 1 42 PRO HA . . 4.400 2.817 2.074 3.597 . 0 0 "[ . 1 . 2]" 1
487 1 39 THR MG 1 42 PRO HD2 . . 6.000 4.554 3.550 5.000 . 0 0 "[ . 1 . 2]" 1
488 1 39 THR MG 1 42 PRO HD3 . . 6.000 3.644 2.199 4.450 . 0 0 "[ . 1 . 2]" 1
489 1 40 LYS H 1 40 LYS HB2 . . 3.700 2.527 2.278 3.017 . 0 0 "[ . 1 . 2]" 1
490 1 40 LYS H 1 40 LYS QB . . 3.440 2.362 2.212 2.539 . 0 0 "[ . 1 . 2]" 1
491 1 40 LYS H 1 40 LYS HB3 . . 3.700 3.211 2.359 3.736 0.036 19 0 "[ . 1 . 2]" 1
492 1 40 LYS H 1 41 ARG H . . 3.000 2.474 2.032 2.906 . 0 0 "[ . 1 . 2]" 1
493 1 40 LYS HA 1 40 LYS QD . . 5.000 3.111 2.175 4.187 . 0 0 "[ . 1 . 2]" 1
494 1 40 LYS HA 1 41 ARG H . . 3.500 3.563 3.526 3.580 0.080 6 0 "[ . 1 . 2]" 1
495 1 40 LYS QB 1 41 ARG H . . 4.010 2.394 1.955 2.816 . 0 0 "[ . 1 . 2]" 1
496 1 40 LYS HB2 1 41 ARG H . . 4.300 2.982 2.137 3.962 . 0 0 "[ . 1 . 2]" 1
497 1 40 LYS HB3 1 41 ARG H . . 4.300 2.911 1.965 3.807 . 0 0 "[ . 1 . 2]" 1
498 1 41 ARG H 1 41 ARG HB2 . . 3.400 2.881 2.191 3.487 0.087 6 0 "[ . 1 . 2]" 1
499 1 41 ARG H 1 41 ARG HB3 . . 3.400 2.920 2.397 3.483 0.083 17 0 "[ . 1 . 2]" 1
500 1 41 ARG H 1 42 PRO QD . . 5.880 3.938 3.688 4.323 . 0 0 "[ . 1 . 2]" 1
501 1 41 ARG HA 1 42 PRO HD2 . . 3.500 2.234 2.105 2.462 . 0 0 "[ . 1 . 2]" 1
502 1 41 ARG HA 1 42 PRO QD . . 3.240 2.087 2.018 2.167 . 0 0 "[ . 1 . 2]" 1
503 1 41 ARG HA 1 42 PRO HD3 . . 3.500 2.595 2.144 3.020 . 0 0 "[ . 1 . 2]" 1
504 1 41 ARG HA 1 45 LEU MD1 . . 6.000 4.667 3.805 5.068 . 0 0 "[ . 1 . 2]" 1
505 1 41 ARG HA 1 45 LEU QD . . 5.290 2.889 2.125 3.678 . 0 0 "[ . 1 . 2]" 1
506 1 41 ARG HA 1 45 LEU MD2 . . 6.000 2.935 2.128 3.776 . 0 0 "[ . 1 . 2]" 1
507 1 41 ARG HA 1 60 LEU QD . . 5.700 3.471 2.935 4.422 . 0 0 "[ . 1 . 2]" 1
508 1 41 ARG QD 1 45 LEU MD1 . . 7.000 4.770 4.133 5.225 . 0 0 "[ . 1 . 2]" 1
509 1 41 ARG QD 1 45 LEU MD2 . . 7.000 3.597 2.069 5.247 . 0 0 "[ . 1 . 2]" 1
510 1 41 ARG QD 1 60 LEU QD . . 8.400 2.850 2.016 3.898 . 0 0 "[ . 1 . 2]" 1
511 1 42 PRO HA 1 43 ARG H . . 3.000 2.407 2.152 2.677 . 0 0 "[ . 1 . 2]" 1
512 1 42 PRO HB2 1 44 PHE CZ . . 7.000 3.233 2.707 4.101 . 0 0 "[ . 1 . 2]" 1
513 1 42 PRO HB2 1 44 PHE HZ . . 5.000 3.732 3.161 4.518 . 0 0 "[ . 1 . 2]" 1
514 1 42 PRO HB3 1 44 PHE CG . . 7.000 4.967 3.747 6.740 . 0 0 "[ . 1 . 2]" 1
515 1 42 PRO QD 1 43 ARG H . . 5.350 4.831 4.615 4.905 . 0 0 "[ . 1 . 2]" 1
516 1 42 PRO QD 1 45 LEU QB . . 6.750 3.431 2.111 5.029 . 0 0 "[ . 1 . 2]" 1
517 1 42 PRO QD 1 45 LEU QD . . 5.430 2.032 1.894 2.233 . 0 0 "[ . 1 . 2]" 1
518 1 42 PRO HD2 1 45 LEU MD1 . . 6.000 3.702 2.737 4.464 . 0 0 "[ . 1 . 2]" 1
519 1 42 PRO HD2 1 45 LEU MD2 . . 6.000 2.094 1.917 2.279 . 0 0 "[ . 1 . 2]" 1
520 1 42 PRO HD2 1 60 LEU QD . . 7.400 4.313 3.634 5.683 . 0 0 "[ . 1 . 2]" 1
521 1 42 PRO HD3 1 45 LEU MD1 . . 6.000 4.838 4.116 5.118 . 0 0 "[ . 1 . 2]" 1
522 1 42 PRO HD3 1 45 LEU MD2 . . 6.000 3.133 2.349 3.694 . 0 0 "[ . 1 . 2]" 1
523 1 42 PRO HD3 1 60 LEU QD . . 7.400 4.924 4.324 5.674 . 0 0 "[ . 1 . 2]" 1
524 1 42 PRO QG 1 44 PHE HZ . . 5.880 4.330 3.569 5.329 . 0 0 "[ . 1 . 2]" 1
525 1 43 ARG H 1 44 PHE H . . 4.900 2.905 2.443 4.423 . 0 0 "[ . 1 . 2]" 1
526 1 43 ARG HA 1 45 LEU H . . 3.800 3.798 3.452 3.888 0.088 16 0 "[ . 1 . 2]" 1
527 1 43 ARG QB 1 44 PHE CG . . 8.000 4.579 3.367 5.450 . 0 0 "[ . 1 . 2]" 1
528 1 44 PHE CG 1 45 LEU HA . . 7.000 5.250 4.790 5.517 . 0 0 "[ . 1 . 2]" 1
529 1 44 PHE CG 1 48 LEU H . . 7.000 4.866 4.680 5.026 . 0 0 "[ . 1 . 2]" 1
530 1 44 PHE CG 1 48 LEU QB . . 7.880 4.177 4.002 4.506 . 0 0 "[ . 1 . 2]" 1
531 1 44 PHE CG 1 48 LEU QD . . 9.400 4.560 4.411 5.030 . 0 0 "[ . 1 . 2]" 1
532 1 44 PHE CZ 1 48 LEU QB . . 7.880 5.205 4.830 5.505 . 0 0 "[ . 1 . 2]" 1
533 1 44 PHE H 1 45 LEU H . . 4.200 2.963 1.692 3.628 . 0 0 "[ . 1 . 2]" 1
534 1 44 PHE HA 1 44 PHE HB2 . . 3.000 2.557 2.466 2.659 . 0 0 "[ . 1 . 2]" 1
535 1 44 PHE HA 1 44 PHE HB3 . . 2.900 2.320 2.259 2.414 . 0 0 "[ . 1 . 2]" 1
536 1 44 PHE HA 1 46 PRO QD . . 5.880 3.180 2.748 3.469 . 0 0 "[ . 1 . 2]" 1
537 1 44 PHE HA 1 47 GLU H . . 4.900 3.616 3.152 3.980 . 0 0 "[ . 1 . 2]" 1
538 1 44 PHE HZ 1 48 LEU QD . . 7.400 4.620 4.139 4.985 . 0 0 "[ . 1 . 2]" 1
539 1 45 LEU H 1 45 LEU HB2 . . 3.100 2.180 2.054 2.374 . 0 0 "[ . 1 . 2]" 1
540 1 45 LEU H 1 45 LEU HB3 . . 3.100 2.965 2.547 3.166 0.066 4 0 "[ . 1 . 2]" 1
541 1 45 LEU H 1 46 PRO HD2 . . 3.600 2.479 2.280 2.965 . 0 0 "[ . 1 . 2]" 1
542 1 45 LEU H 1 46 PRO QD . . 3.390 2.396 2.257 2.564 . 0 0 "[ . 1 . 2]" 1
543 1 45 LEU H 1 46 PRO HD3 . . 3.600 3.375 2.498 3.667 0.067 10 0 "[ . 1 . 2]" 1
544 1 45 LEU HA 1 45 LEU MD1 . . 3.400 2.388 2.095 2.777 . 0 0 "[ . 1 . 2]" 1
545 1 45 LEU HA 1 45 LEU MD2 . . 3.400 2.403 2.005 2.663 . 0 0 "[ . 1 . 2]" 1
546 1 45 LEU HA 1 48 LEU H . . 3.600 3.602 3.262 3.680 0.080 10 0 "[ . 1 . 2]" 1
547 1 45 LEU HA 1 48 LEU QD . . 5.200 3.547 3.301 3.719 . 0 0 "[ . 1 . 2]" 1
548 1 45 LEU HA 1 49 ALA H . . 3.900 3.968 3.946 3.980 0.080 14 0 "[ . 1 . 2]" 1
549 1 45 LEU QB 1 46 PRO QD . . 4.120 2.103 1.972 2.376 . 0 0 "[ . 1 . 2]" 1
550 1 45 LEU QB 1 56 VAL HA . . 5.880 5.021 4.762 5.307 . 0 0 "[ . 1 . 2]" 1
551 1 45 LEU HB2 1 46 PRO HD2 . . 5.250 3.571 3.094 4.026 . 0 0 "[ . 1 . 2]" 1
552 1 45 LEU HB2 1 46 PRO HD3 . . 5.250 3.352 2.615 3.839 . 0 0 "[ . 1 . 2]" 1
553 1 45 LEU HB3 1 46 PRO HD2 . . 5.250 3.064 2.553 3.726 . 0 0 "[ . 1 . 2]" 1
554 1 45 LEU HB3 1 46 PRO HD3 . . 5.250 2.206 2.064 2.515 . 0 0 "[ . 1 . 2]" 1
555 1 46 PRO HA 1 49 ALA MB . . 3.400 2.402 2.136 2.726 . 0 0 "[ . 1 . 2]" 1
556 1 46 PRO HA 1 56 VAL MG1 . . 4.600 3.473 2.689 3.797 . 0 0 "[ . 1 . 2]" 1
557 1 46 PRO HA 1 56 VAL QG . . 3.970 2.240 1.969 2.519 . 0 0 "[ . 1 . 2]" 1
558 1 46 PRO HA 1 56 VAL MG2 . . 4.600 2.284 1.976 2.696 . 0 0 "[ . 1 . 2]" 1
559 1 46 PRO HB2 1 47 GLU H . . 4.000 3.231 2.334 3.486 . 0 0 "[ . 1 . 2]" 1
560 1 46 PRO HB3 1 56 VAL QG . . 7.560 2.719 2.277 3.298 . 0 0 "[ . 1 . 2]" 1
561 1 46 PRO QD 1 47 GLU H . . 4.210 2.750 2.308 3.099 . 0 0 "[ . 1 . 2]" 1
562 1 46 PRO HD2 1 47 GLU H . . 4.500 2.810 2.326 3.186 . 0 0 "[ . 1 . 2]" 1
563 1 46 PRO HD3 1 47 GLU H . . 4.500 3.938 3.763 4.241 . 0 0 "[ . 1 . 2]" 1
564 1 46 PRO QG 1 47 GLU H . . 5.370 2.319 1.994 3.562 . 0 0 "[ . 1 . 2]" 1
565 1 47 GLU H 1 47 GLU QB . . 3.590 2.514 2.357 2.760 . 0 0 "[ . 1 . 2]" 1
566 1 47 GLU H 1 47 GLU HG2 . . 5.000 2.862 1.860 3.828 . 0 0 "[ . 1 . 2]" 1
567 1 47 GLU H 1 47 GLU QG . . 4.490 2.271 1.851 3.136 . 0 0 "[ . 1 . 2]" 1
568 1 47 GLU H 1 47 GLU HG3 . . 5.000 2.919 1.943 3.605 . 0 0 "[ . 1 . 2]" 1
569 1 47 GLU H 1 48 LEU H . . 3.300 2.871 2.622 3.055 . 0 0 "[ . 1 . 2]" 1
570 1 47 GLU QB 1 48 LEU H . . 3.500 2.358 2.092 2.597 . 0 0 "[ . 1 . 2]" 1
571 1 47 GLU HB2 1 48 LEU H . . 3.800 2.397 2.115 2.641 . 0 0 "[ . 1 . 2]" 1
572 1 47 GLU HB3 1 48 LEU H . . 3.800 3.522 3.295 3.842 0.042 1 0 "[ . 1 . 2]" 1
573 1 48 LEU H 1 48 LEU HB2 . . 3.100 2.231 2.177 2.289 . 0 0 "[ . 1 . 2]" 1
574 1 48 LEU H 1 48 LEU QB . . 2.870 2.142 2.100 2.194 . 0 0 "[ . 1 . 2]" 1
575 1 48 LEU H 1 48 LEU HB3 . . 3.100 2.771 2.630 2.875 . 0 0 "[ . 1 . 2]" 1
576 1 48 LEU H 1 49 ALA H . . 3.100 2.684 2.497 2.817 . 0 0 "[ . 1 . 2]" 1
577 1 48 LEU H 1 50 SER H . . 4.200 4.071 3.944 4.254 0.054 8 0 "[ . 1 . 2]" 1
578 1 48 LEU HA 1 51 ALA H . . 3.100 3.160 3.057 3.183 0.083 2 0 "[ . 1 . 2]" 1
579 1 48 LEU HA 1 51 ALA MB . . 3.500 2.224 2.112 2.366 . 0 0 "[ . 1 . 2]" 1
580 1 48 LEU HA 1 52 LEU H . . 4.700 4.029 3.810 4.356 . 0 0 "[ . 1 . 2]" 1
581 1 48 LEU QB 1 49 ALA H . . 3.290 2.480 2.407 2.541 . 0 0 "[ . 1 . 2]" 1
582 1 48 LEU HB2 1 49 ALA H . . 3.600 3.602 3.494 3.664 0.064 10 0 "[ . 1 . 2]" 1
583 1 48 LEU HB3 1 49 ALA H . . 3.600 2.527 2.447 2.591 . 0 0 "[ . 1 . 2]" 1
584 1 48 LEU QD 1 49 ALA H . . 6.800 3.566 3.474 3.651 . 0 0 "[ . 1 . 2]" 1
585 1 48 LEU QD 1 49 ALA HA . . 5.000 3.388 3.275 3.466 . 0 0 "[ . 1 . 2]" 1
586 1 49 ALA H 1 49 ALA MB . . 3.400 2.230 2.107 2.277 . 0 0 "[ . 1 . 2]" 1
587 1 49 ALA H 1 50 SER H . . 3.200 2.823 2.732 2.927 . 0 0 "[ . 1 . 2]" 1
588 1 49 ALA H 1 51 ALA H . . 4.300 4.130 3.906 4.249 . 0 0 "[ . 1 . 2]" 1
589 1 49 ALA H 1 56 VAL QG . . 7.560 4.018 3.602 4.612 . 0 0 "[ . 1 . 2]" 1
590 1 49 ALA H 1 59 LEU MD1 . . 5.300 2.607 2.359 2.995 . 0 0 "[ . 1 . 2]" 1
591 1 49 ALA HA 1 52 LEU H . . 4.800 3.715 3.489 3.982 . 0 0 "[ . 1 . 2]" 1
592 1 49 ALA HA 1 54 VAL H . . 4.300 3.431 3.049 3.735 . 0 0 "[ . 1 . 2]" 1
593 1 49 ALA MB 1 54 VAL H . . 4.300 3.461 3.389 3.520 . 0 0 "[ . 1 . 2]" 1
594 1 49 ALA MB 1 55 SER HA . . 5.500 3.361 2.885 3.850 . 0 0 "[ . 1 . 2]" 1
595 1 49 ALA MB 1 56 VAL H . . 5.300 3.326 2.793 3.868 . 0 0 "[ . 1 . 2]" 1
596 1 49 ALA MB 1 56 VAL HA . . 3.800 2.566 2.313 2.764 . 0 0 "[ . 1 . 2]" 1
597 1 49 ALA MB 1 56 VAL MG1 . . 5.600 3.510 2.879 3.847 . 0 0 "[ . 1 . 2]" 1
598 1 49 ALA MB 1 56 VAL QG . . 4.790 2.252 2.040 2.688 . 0 0 "[ . 1 . 2]" 1
599 1 49 ALA MB 1 56 VAL MG2 . . 5.600 2.284 2.053 2.747 . 0 0 "[ . 1 . 2]" 1
600 1 49 ALA MB 1 59 LEU MD1 . . 4.400 2.129 2.014 2.291 . 0 0 "[ . 1 . 2]" 1
601 1 50 SER H 1 50 SER QB . . 3.600 2.478 2.122 2.986 . 0 0 "[ . 1 . 2]" 1
602 1 50 SER H 1 51 ALA H . . 3.100 2.361 2.327 2.397 . 0 0 "[ . 1 . 2]" 1
603 1 50 SER H 1 51 ALA MB . . 4.800 3.954 3.938 3.963 . 0 0 "[ . 1 . 2]" 1
604 1 50 SER HA 1 53 GLY H . . 3.900 3.280 3.046 3.465 . 0 0 "[ . 1 . 2]" 1
605 1 51 ALA H 1 51 ALA MB . . 3.400 2.142 2.101 2.165 . 0 0 "[ . 1 . 2]" 1
606 1 51 ALA H 1 52 LEU H . . 3.300 2.891 2.623 3.085 . 0 0 "[ . 1 . 2]" 1
607 1 51 ALA HA 1 53 GLY H . . 5.000 4.223 3.922 4.638 . 0 0 "[ . 1 . 2]" 1
608 1 51 ALA MB 1 52 LEU H . . 4.300 2.476 2.271 2.775 . 0 0 "[ . 1 . 2]" 1
609 1 52 LEU H 1 52 LEU HB2 . . 3.000 2.538 2.284 2.823 . 0 0 "[ . 1 . 2]" 1
610 1 52 LEU H 1 52 LEU HB3 . . 3.800 3.546 2.994 3.766 . 0 0 "[ . 1 . 2]" 1
611 1 52 LEU H 1 52 LEU HG . . 5.000 3.558 2.330 4.779 . 0 0 "[ . 1 . 2]" 1
612 1 52 LEU H 1 53 GLY H . . 3.000 2.439 2.155 2.645 . 0 0 "[ . 1 . 2]" 1
613 1 52 LEU H 1 54 VAL H . . 5.000 4.219 3.772 4.642 . 0 0 "[ . 1 . 2]" 1
614 1 52 LEU HA 1 52 LEU MD2 . . 3.400 2.236 2.092 2.655 . 0 0 "[ . 1 . 2]" 1
615 1 52 LEU HB2 1 53 GLY H . . 5.000 3.652 2.982 4.086 . 0 0 "[ . 1 . 2]" 1
616 1 52 LEU HB2 1 54 VAL MG1 . . 6.000 2.893 2.221 3.755 . 0 0 "[ . 1 . 2]" 1
617 1 52 LEU HB2 1 58 TRP HH2 . . 4.900 4.983 4.971 4.990 0.090 11 0 "[ . 1 . 2]" 1
618 1 52 LEU HB2 1 58 TRP HZ3 . . 5.000 4.124 3.860 4.502 . 0 0 "[ . 1 . 2]" 1
619 1 52 LEU HB3 1 54 VAL MG1 . . 4.400 2.333 2.035 2.694 . 0 0 "[ . 1 . 2]" 1
620 1 52 LEU HB3 1 58 TRP HH2 . . 5.000 4.688 4.258 5.055 0.055 11 0 "[ . 1 . 2]" 1
621 1 52 LEU HB3 1 58 TRP HZ3 . . 4.900 4.510 4.007 4.959 0.059 2 0 "[ . 1 . 2]" 1
622 1 53 GLY H 1 53 GLY HA2 . . 2.800 2.278 2.228 2.345 . 0 0 "[ . 1 . 2]" 1
623 1 53 GLY H 1 54 VAL H . . 3.000 2.662 2.373 3.052 0.052 6 0 "[ . 1 . 2]" 1
624 1 53 GLY H 1 54 VAL MG2 . . 5.300 3.333 2.706 3.936 . 0 0 "[ . 1 . 2]" 1
625 1 54 VAL H 1 54 VAL MG2 . . 3.400 2.210 2.051 2.353 . 0 0 "[ . 1 . 2]" 1
626 1 54 VAL HA 1 54 VAL HB . . 2.800 2.446 2.410 2.475 . 0 0 "[ . 1 . 2]" 1
627 1 54 VAL HA 1 55 SER H . . 2.900 2.497 2.322 2.619 . 0 0 "[ . 1 . 2]" 1
628 1 54 VAL HB 1 55 SER H . . 2.700 2.396 2.049 2.708 0.008 20 0 "[ . 1 . 2]" 1
629 1 54 VAL HB 1 58 TRP HB2 . . 5.000 4.259 3.558 4.611 . 0 0 "[ . 1 . 2]" 1
630 1 54 VAL HB 1 58 TRP QB . . 4.230 2.981 2.307 3.270 . 0 0 "[ . 1 . 2]" 1
631 1 54 VAL HB 1 58 TRP HB3 . . 5.000 3.045 2.337 3.345 . 0 0 "[ . 1 . 2]" 1
632 1 54 VAL HB 1 58 TRP HE3 . . 3.300 2.660 2.363 2.924 . 0 0 "[ . 1 . 2]" 1
633 1 54 VAL MG1 1 55 SER H . . 5.800 3.810 3.660 3.984 . 0 0 "[ . 1 . 2]" 1
634 1 54 VAL MG1 1 58 TRP HE3 . . 4.600 3.502 3.200 3.831 . 0 0 "[ . 1 . 2]" 1
635 1 54 VAL MG1 1 58 TRP HZ3 . . 4.600 3.196 2.706 3.680 . 0 0 "[ . 1 . 2]" 1
636 1 54 VAL MG2 1 55 SER H . . 4.300 3.285 2.924 3.545 . 0 0 "[ . 1 . 2]" 1
637 1 54 VAL MG2 1 58 TRP QB . . 6.880 3.556 3.198 3.787 . 0 0 "[ . 1 . 2]" 1
638 1 54 VAL MG2 1 58 TRP HZ3 . . 4.100 2.268 2.146 2.450 . 0 0 "[ . 1 . 2]" 1
639 1 55 SER H 1 55 SER HB2 . . 3.300 2.529 2.114 3.368 0.068 15 0 "[ . 1 . 2]" 1
640 1 55 SER H 1 58 TRP HB2 . . 4.000 3.448 2.955 3.874 . 0 0 "[ . 1 . 2]" 1
641 1 55 SER H 1 58 TRP QB . . 3.750 2.524 2.230 2.896 . 0 0 "[ . 1 . 2]" 1
642 1 55 SER H 1 58 TRP HB3 . . 4.000 2.599 2.288 2.990 . 0 0 "[ . 1 . 2]" 1
643 1 55 SER H 1 58 TRP HE3 . . 5.000 3.991 3.424 4.559 . 0 0 "[ . 1 . 2]" 1
644 1 55 SER HA 1 55 SER HB2 . . 2.800 2.758 2.455 2.885 0.085 12 0 "[ . 1 . 2]" 1
645 1 55 SER HA 1 55 SER HB3 . . 3.000 2.743 2.220 3.029 0.029 7 0 "[ . 1 . 2]" 1
646 1 55 SER HA 1 56 VAL H . . 2.800 2.287 2.161 2.456 . 0 0 "[ . 1 . 2]" 1
647 1 55 SER HB2 1 56 VAL H . . 4.300 3.876 2.730 4.356 0.056 18 0 "[ . 1 . 2]" 1
648 1 55 SER HB3 1 56 VAL H . . 3.300 3.255 2.785 3.385 0.085 19 0 "[ . 1 . 2]" 1
649 1 55 SER HB3 1 58 TRP H . . 4.600 2.551 1.841 3.852 . 0 0 "[ . 1 . 2]" 1
650 1 56 VAL H 1 56 VAL HB . . 3.100 2.508 2.248 2.834 . 0 0 "[ . 1 . 2]" 1
651 1 56 VAL H 1 57 ASP H . . 3.300 2.597 2.224 3.099 . 0 0 "[ . 1 . 2]" 1
652 1 56 VAL H 1 57 ASP QB . . 6.000 4.666 4.108 5.057 . 0 0 "[ . 1 . 2]" 1
653 1 56 VAL HA 1 58 TRP H . . 5.000 4.638 4.185 5.065 0.065 17 0 "[ . 1 . 2]" 1
654 1 56 VAL HA 1 59 LEU H . . 3.700 3.434 3.171 3.716 0.016 18 0 "[ . 1 . 2]" 1
655 1 56 VAL HA 1 59 LEU HB2 . . 3.400 2.514 2.309 2.893 . 0 0 "[ . 1 . 2]" 1
656 1 56 VAL HA 1 59 LEU HB3 . . 3.600 3.649 3.448 3.682 0.082 5 0 "[ . 1 . 2]" 1
657 1 56 VAL HA 1 59 LEU MD1 . . 4.600 3.002 2.576 3.599 . 0 0 "[ . 1 . 2]" 1
658 1 56 VAL HB 1 57 ASP H . . 3.200 2.458 2.165 2.844 . 0 0 "[ . 1 . 2]" 1
659 1 56 VAL QG 1 57 ASP H . . 4.930 3.183 2.971 3.396 . 0 0 "[ . 1 . 2]" 1
660 1 56 VAL MG1 1 57 ASP H . . 5.600 3.473 3.128 3.997 . 0 0 "[ . 1 . 2]" 1
661 1 56 VAL MG2 1 57 ASP H . . 5.600 3.735 3.516 4.028 . 0 0 "[ . 1 . 2]" 1
662 1 57 ASP H 1 57 ASP QB . . 3.700 2.471 2.222 2.791 . 0 0 "[ . 1 . 2]" 1
663 1 57 ASP H 1 58 TRP H . . 3.000 2.846 2.570 3.065 0.065 1 0 "[ . 1 . 2]" 1
664 1 57 ASP HA 1 60 LEU H . . 4.100 3.385 2.952 3.821 . 0 0 "[ . 1 . 2]" 1
665 1 57 ASP HA 1 60 LEU HB3 . . 3.800 3.103 2.466 3.594 . 0 0 "[ . 1 . 2]" 1
666 1 57 ASP HA 1 60 LEU QD . . 5.700 3.773 3.151 4.390 . 0 0 "[ . 1 . 2]" 1
667 1 57 ASP HA 1 61 ASN H . . 4.100 3.718 3.019 4.021 . 0 0 "[ . 1 . 2]" 1
668 1 57 ASP HA 1 61 ASN HD21 . . 5.000 3.901 2.462 4.946 . 0 0 "[ . 1 . 2]" 1
669 1 57 ASP HA 1 61 ASN HD22 . . 5.000 4.099 3.127 5.085 0.085 2 0 "[ . 1 . 2]" 1
670 1 57 ASP QB 1 61 ASN HD21 . . 6.000 4.045 2.914 5.258 . 0 0 "[ . 1 . 2]" 1
671 1 58 TRP H 1 58 TRP HB2 . . 3.100 2.644 2.473 2.803 . 0 0 "[ . 1 . 2]" 1
672 1 58 TRP H 1 58 TRP HB3 . . 3.100 2.532 2.337 2.695 . 0 0 "[ . 1 . 2]" 1
673 1 58 TRP H 1 59 LEU H . . 3.000 2.873 2.485 3.068 0.068 11 0 "[ . 1 . 2]" 1
674 1 58 TRP HA 1 58 TRP HD1 . . 4.400 3.159 2.864 3.581 . 0 0 "[ . 1 . 2]" 1
675 1 58 TRP HA 1 62 GLY H . . 3.600 2.509 2.021 3.232 . 0 0 "[ . 1 . 2]" 1
676 1 58 TRP HA 1 63 THR H . . 3.800 3.527 1.849 3.894 0.094 11 0 "[ . 1 . 2]" 1
677 1 58 TRP QB 1 59 LEU H . . 3.770 2.540 2.212 2.800 . 0 0 "[ . 1 . 2]" 1
678 1 58 TRP HB2 1 59 LEU H . . 4.200 3.922 3.695 4.098 . 0 0 "[ . 1 . 2]" 1
679 1 58 TRP HB3 1 59 LEU H . . 4.200 2.573 2.229 2.853 . 0 0 "[ . 1 . 2]" 1
680 1 58 TRP HD1 1 62 GLY HA2 . . 5.000 3.803 2.236 4.990 . 0 0 "[ . 1 . 2]" 1
681 1 58 TRP HD1 1 62 GLY HA3 . . 5.000 3.988 2.541 5.080 0.080 6 0 "[ . 1 . 2]" 1
682 1 58 TRP HD1 1 63 THR MG . . 6.000 3.579 2.120 4.974 . 0 0 "[ . 1 . 2]" 1
683 1 58 TRP HE1 1 62 GLY QA . . 5.880 4.184 2.878 5.355 . 0 0 "[ . 1 . 2]" 1
684 1 58 TRP HE1 1 63 THR H . . 5.000 4.284 2.220 5.069 0.069 19 0 "[ . 1 . 2]" 1
685 1 58 TRP HE1 1 63 THR HA . . 5.000 4.422 2.382 5.091 0.091 14 0 "[ . 1 . 2]" 1
686 1 58 TRP HE1 1 63 THR MG . . 6.000 3.726 1.999 5.005 . 0 0 "[ . 1 . 2]" 1
687 1 58 TRP HE3 1 59 LEU H . . 4.100 2.653 2.450 2.961 . 0 0 "[ . 1 . 2]" 1
688 1 58 TRP HE3 1 59 LEU HA . . 3.900 2.686 2.299 2.988 . 0 0 "[ . 1 . 2]" 1
689 1 58 TRP HE3 1 59 LEU HG . . 3.800 2.411 2.141 2.829 . 0 0 "[ . 1 . 2]" 1
690 1 58 TRP HZ3 1 59 LEU HA . . 5.000 3.283 2.875 3.659 . 0 0 "[ . 1 . 2]" 1
691 1 58 TRP HZ3 1 59 LEU MD1 . . 6.000 3.785 3.247 4.162 . 0 0 "[ . 1 . 2]" 1
692 1 58 TRP HZ3 1 59 LEU MD2 . . 3.700 2.764 2.303 3.040 . 0 0 "[ . 1 . 2]" 1
693 1 59 LEU H 1 59 LEU HB2 . . 2.900 2.055 2.010 2.135 . 0 0 "[ . 1 . 2]" 1
694 1 59 LEU H 1 59 LEU HB3 . . 3.300 3.315 3.175 3.375 0.075 1 0 "[ . 1 . 2]" 1
695 1 59 LEU H 1 59 LEU MD2 . . 5.500 4.165 4.002 4.253 . 0 0 "[ . 1 . 2]" 1
696 1 59 LEU H 1 59 LEU HG . . 3.500 3.342 3.003 3.577 0.077 17 0 "[ . 1 . 2]" 1
697 1 59 LEU H 1 60 LEU H . . 3.000 2.818 2.660 3.018 0.018 11 0 "[ . 1 . 2]" 1
698 1 59 LEU HA 1 59 LEU MD2 . . 3.400 2.163 2.063 2.373 . 0 0 "[ . 1 . 2]" 1
699 1 60 LEU H 1 60 LEU HB2 . . 2.700 2.202 2.036 2.568 . 0 0 "[ . 1 . 2]" 1
700 1 60 LEU H 1 60 LEU HB3 . . 3.100 2.899 2.528 3.136 0.036 11 0 "[ . 1 . 2]" 1
701 1 60 LEU HB2 1 61 ASN H . . 3.600 3.423 2.990 3.671 0.071 10 0 "[ . 1 . 2]" 1
702 1 60 LEU HB2 1 61 ASN HD22 . . 5.000 4.889 4.377 5.080 0.080 13 0 "[ . 1 . 2]" 1
703 1 60 LEU HB3 1 61 ASN HD22 . . 5.000 3.393 2.786 4.151 . 0 0 "[ . 1 . 2]" 1
704 1 60 LEU QD 1 61 ASN HD21 . . 7.400 3.597 2.007 5.445 . 0 0 "[ . 1 . 2]" 1
705 1 60 LEU QD 1 61 ASN HD22 . . 7.400 3.576 2.486 5.214 . 0 0 "[ . 1 . 2]" 1
706 1 61 ASN H 1 61 ASN HD21 . . 4.200 2.766 1.882 3.831 . 0 0 "[ . 1 . 2]" 1
707 1 61 ASN H 1 62 GLY H . . 2.900 2.634 2.073 2.988 0.088 18 0 "[ . 1 . 2]" 1
708 1 61 ASN QB 1 63 THR H . . 5.800 4.291 3.401 5.231 . 0 0 "[ . 1 . 2]" 1
709 1 61 ASN QB 1 63 THR MG . . 7.000 4.597 2.942 5.248 . 0 0 "[ . 1 . 2]" 1
710 1 62 GLY H 1 63 THR H . . 3.600 2.930 2.170 3.691 0.091 5 0 "[ . 1 . 2]" 1
711 1 62 GLY HA2 1 63 THR H . . 3.600 2.813 2.018 3.534 . 0 0 "[ . 1 . 2]" 1
712 1 62 GLY HA3 1 63 THR H . . 3.600 3.123 2.229 3.571 . 0 0 "[ . 1 . 2]" 1
713 1 63 THR H 1 63 THR HB . . 3.800 3.609 2.816 3.889 0.089 12 0 "[ . 1 . 2]" 1
714 1 63 THR HA 1 63 THR HB . . 2.600 2.459 2.223 2.659 0.059 15 0 "[ . 1 . 2]" 1
715 1 63 THR HA 1 63 THR MG . . 3.500 2.437 2.112 3.081 . 0 0 "[ . 1 . 2]" 1
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