NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562445 |
2ltf   |
18475 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ltf
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 1078
_Distance_constraint_stats_list.Viol_count 905
_Distance_constraint_stats_list.Viol_total 379.820
_Distance_constraint_stats_list.Viol_max 0.319
_Distance_constraint_stats_list.Viol_rms 0.0077
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0210
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.065 0.015 6 0 "[ . 1 . 2]"
1 2 LYS 0.244 0.029 6 0 "[ . 1 . 2]"
1 3 THR 0.305 0.043 1 0 "[ . 1 . 2]"
1 4 PHE 0.194 0.022 5 0 "[ . 1 . 2]"
1 5 ALA 1.503 0.070 17 0 "[ . 1 . 2]"
1 6 LEU 1.188 0.110 7 0 "[ . 1 . 2]"
1 7 GLN 0.458 0.058 15 0 "[ . 1 . 2]"
1 8 GLY 0.473 0.044 11 0 "[ . 1 . 2]"
1 9 ASP 3.117 0.086 18 0 "[ . 1 . 2]"
1 10 THR 0.757 0.145 13 0 "[ . 1 . 2]"
1 11 LEU 0.553 0.086 15 0 "[ . 1 . 2]"
1 12 ASP 0.105 0.019 7 0 "[ . 1 . 2]"
1 13 ALA 0.052 0.027 2 0 "[ . 1 . 2]"
1 14 ILE 3.031 0.201 18 0 "[ . 1 . 2]"
1 15 CYS 0.879 0.073 4 0 "[ . 1 . 2]"
1 16 VAL 0.479 0.047 18 0 "[ . 1 . 2]"
1 17 ARG 0.633 0.201 18 0 "[ . 1 . 2]"
1 18 TYR 0.475 0.043 1 0 "[ . 1 . 2]"
1 19 TYR 1.011 0.064 13 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 1.150 0.074 2 0 "[ . 1 . 2]"
1 22 THR 1.270 0.065 18 0 "[ . 1 . 2]"
1 23 GLU 0.083 0.025 9 0 "[ . 1 . 2]"
1 24 GLY 0.025 0.025 6 0 "[ . 1 . 2]"
1 25 VAL 0.207 0.032 9 0 "[ . 1 . 2]"
1 26 VAL 0.050 0.008 9 0 "[ . 1 . 2]"
1 27 GLU 0.040 0.009 2 0 "[ . 1 . 2]"
1 28 THR 0.060 0.010 9 0 "[ . 1 . 2]"
1 29 VAL 0.058 0.012 9 0 "[ . 1 . 2]"
1 30 LEU 0.071 0.008 2 0 "[ . 1 . 2]"
1 31 ALA 0.032 0.009 2 0 "[ . 1 . 2]"
1 32 ALA 0.073 0.012 9 0 "[ . 1 . 2]"
1 33 ASN 0.118 0.011 7 0 "[ . 1 . 2]"
1 34 PRO 0.046 0.010 15 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.234 0.036 2 0 "[ . 1 . 2]"
1 37 ALA 0.082 0.036 2 0 "[ . 1 . 2]"
1 38 GLU 0.160 0.069 1 0 "[ . 1 . 2]"
1 39 LEU 1.352 0.170 17 0 "[ . 1 . 2]"
1 40 GLY 0.945 0.170 17 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.545 0.059 16 0 "[ . 1 . 2]"
1 43 LEU 2.054 0.145 13 0 "[ . 1 . 2]"
1 44 PRO 0.343 0.043 9 0 "[ . 1 . 2]"
1 45 HIS 0.677 0.092 18 0 "[ . 1 . 2]"
1 46 GLY 0.226 0.022 5 0 "[ . 1 . 2]"
1 47 THR 0.771 0.059 19 0 "[ . 1 . 2]"
1 48 ALA 0.252 0.052 15 0 "[ . 1 . 2]"
1 49 VAL 0.145 0.026 15 0 "[ . 1 . 2]"
1 50 GLU 0.228 0.037 1 0 "[ . 1 . 2]"
1 51 LEU 0.889 0.057 15 0 "[ . 1 . 2]"
1 52 PRO 0.164 0.057 15 0 "[ . 1 . 2]"
1 53 ASP 0.024 0.011 11 0 "[ . 1 . 2]"
1 54 VAL 1.649 0.190 11 0 "[ . 1 . 2]"
1 55 GLN 1.382 0.190 11 0 "[ . 1 . 2]"
1 56 THR 0.131 0.055 15 0 "[ . 1 . 2]"
1 57 ALA 0.898 0.233 10 0 "[ . 1 . 2]"
1 58 PRO 0.766 0.233 10 0 "[ . 1 . 2]"
1 59 VAL 0.055 0.034 11 0 "[ . 1 . 2]"
1 60 ALA 0.146 0.073 15 0 "[ . 1 . 2]"
1 61 GLU 0.093 0.073 15 0 "[ . 1 . 2]"
1 62 THR 0.364 0.216 16 0 "[ . 1 . 2]"
1 63 VAL 0.364 0.216 16 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.902 0.088 3 0 "[ . 1 . 2]"
1 66 TRP 0.660 0.319 19 0 "[ . 1 . 2]"
1 67 GLU 0.118 0.070 16 0 "[ . 1 . 2]"
1 68 VAL 0.245 0.107 16 0 "[ . 1 . 2]"
1 69 GLU 0.229 0.107 16 0 "[ . 1 . 2]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET H1 1 2 LYS HA . . 4.860 4.663 4.465 4.814 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET H1 1 2 LYS QG . . 5.060 3.989 2.766 4.826 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET H1 1 50 GLU QB . . 5.500 5.413 4.747 5.515 0.015 6 0 "[ . 1 . 2]" 1
4 1 1 MET H1 1 50 GLU QG . . 4.780 3.979 2.585 4.780 0.000 8 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 2 LYS H . . 5.500 3.834 3.045 4.041 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 51 LEU HB2 . . 4.980 2.695 1.991 3.312 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 54 VAL HB . . 3.030 2.905 2.312 3.036 0.006 3 0 "[ . 1 . 2]" 1
8 1 1 MET QG 1 54 VAL HB . . 3.800 3.441 2.340 3.802 0.002 6 0 "[ . 1 . 2]" 1
9 1 1 MET HG2 1 51 LEU HB2 . . 5.500 4.433 2.815 5.497 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET HG3 1 51 LEU HB2 . . 5.500 4.353 2.714 5.501 0.001 19 0 "[ . 1 . 2]" 1
11 1 2 LYS H 1 2 LYS QD . . 5.280 3.917 3.088 4.748 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS H 1 2 LYS QG . . 4.890 2.341 1.932 3.450 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS HA 1 2 LYS QD . . 4.580 4.084 3.543 4.462 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS HA 1 2 LYS HG2 . . 4.240 3.374 2.572 4.194 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS HA 1 2 LYS HG3 . . 4.240 3.687 2.577 4.119 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS HA 1 3 THR H . . 2.830 2.284 2.250 2.290 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS HA 1 49 VAL H . . 4.680 4.253 3.821 4.706 0.026 15 0 "[ . 1 . 2]" 1
18 1 2 LYS HA 1 49 VAL HB . . 5.330 4.876 4.762 5.223 . 0 0 "[ . 1 . 2]" 1
19 1 2 LYS HA 1 50 GLU HA . . 3.060 2.720 2.212 3.063 0.003 6 0 "[ . 1 . 2]" 1
20 1 2 LYS HA 1 50 GLU QB . . 4.960 4.680 4.189 4.963 0.003 16 0 "[ . 1 . 2]" 1
21 1 2 LYS HA 1 51 LEU H . . 3.540 3.174 2.865 3.411 . 0 0 "[ . 1 . 2]" 1
22 1 2 LYS HA 1 51 LEU HB2 . . 5.460 4.087 3.769 4.429 . 0 0 "[ . 1 . 2]" 1
23 1 2 LYS HA 1 51 LEU HB3 . . 5.500 5.492 5.381 5.529 0.029 6 0 "[ . 1 . 2]" 1
24 1 2 LYS HA 1 51 LEU QD . . 5.390 3.047 2.498 3.469 . 0 0 "[ . 1 . 2]" 1
25 1 2 LYS QB 1 2 LYS QE . . 4.390 2.981 2.012 3.648 . 0 0 "[ . 1 . 2]" 1
26 1 2 LYS QB 1 3 THR H . . 3.570 2.699 2.671 2.782 . 0 0 "[ . 1 . 2]" 1
27 1 2 LYS QB 1 3 THR HB . . 5.340 5.210 4.931 5.344 0.004 1 0 "[ . 1 . 2]" 1
28 1 2 LYS QB 1 50 GLU H . . 5.340 3.949 3.488 5.327 . 0 0 "[ . 1 . 2]" 1
29 1 2 LYS QB 1 50 GLU HA . . 4.130 2.403 1.958 3.846 . 0 0 "[ . 1 . 2]" 1
30 1 2 LYS HB2 1 2 LYS QE . . 5.120 3.357 2.304 4.275 . 0 0 "[ . 1 . 2]" 1
31 1 2 LYS HB2 1 50 GLU HA . . 4.730 3.297 2.644 4.529 . 0 0 "[ . 1 . 2]" 1
32 1 2 LYS HB3 1 2 LYS QE . . 5.120 3.425 2.030 4.098 . 0 0 "[ . 1 . 2]" 1
33 1 2 LYS HB3 1 50 GLU HA . . 4.730 2.478 1.995 4.158 . 0 0 "[ . 1 . 2]" 1
34 1 2 LYS QD 1 50 GLU H . . 5.500 4.643 2.710 5.502 0.002 3 0 "[ . 1 . 2]" 1
35 1 2 LYS QD 1 50 GLU HA . . 4.920 3.506 2.126 4.564 . 0 0 "[ . 1 . 2]" 1
36 1 2 LYS QE 1 48 ALA MB . . 4.200 3.367 2.164 4.204 0.004 6 0 "[ . 1 . 2]" 1
37 1 2 LYS QG 1 3 THR H . . 4.370 3.884 3.533 4.296 . 0 0 "[ . 1 . 2]" 1
38 1 2 LYS QG 1 49 VAL H . . 5.340 4.541 3.807 5.346 0.006 2 0 "[ . 1 . 2]" 1
39 1 2 LYS QG 1 50 GLU HA . . 4.370 3.511 1.890 4.269 . 0 0 "[ . 1 . 2]" 1
40 1 2 LYS HG2 1 50 GLU HA . . 5.150 3.813 1.998 4.722 . 0 0 "[ . 1 . 2]" 1
41 1 2 LYS HG2 1 50 GLU QB . . 5.500 4.686 2.949 5.506 0.006 19 0 "[ . 1 . 2]" 1
42 1 2 LYS HG3 1 50 GLU HA . . 5.150 4.324 2.331 4.880 . 0 0 "[ . 1 . 2]" 1
43 1 2 LYS HG3 1 50 GLU QB . . 5.500 5.059 3.580 5.505 0.005 9 0 "[ . 1 . 2]" 1
44 1 3 THR H 1 3 THR HB . . 3.830 3.349 3.248 3.586 . 0 0 "[ . 1 . 2]" 1
45 1 3 THR H 1 3 THR MG . . 3.240 2.204 2.015 2.439 . 0 0 "[ . 1 . 2]" 1
46 1 3 THR H 1 4 PHE H . . 4.910 4.403 4.324 4.444 . 0 0 "[ . 1 . 2]" 1
47 1 3 THR H 1 14 ILE MG . . 5.490 5.160 4.764 5.492 0.002 6 0 "[ . 1 . 2]" 1
48 1 3 THR H 1 49 VAL H . . 3.400 2.685 2.231 3.237 . 0 0 "[ . 1 . 2]" 1
49 1 3 THR H 1 49 VAL MG1 . . 5.500 4.702 4.100 5.115 . 0 0 "[ . 1 . 2]" 1
50 1 3 THR H 1 49 VAL MG2 . . 5.500 4.555 4.254 4.928 . 0 0 "[ . 1 . 2]" 1
51 1 3 THR H 1 50 GLU HA . . 4.750 4.261 3.745 4.589 . 0 0 "[ . 1 . 2]" 1
52 1 3 THR H 1 51 LEU MD1 . . 5.500 3.855 3.269 5.504 0.004 3 0 "[ . 1 . 2]" 1
53 1 3 THR H 1 51 LEU QD . . 4.440 3.437 3.024 3.676 . 0 0 "[ . 1 . 2]" 1
54 1 3 THR H 1 51 LEU MD2 . . 5.500 4.501 3.038 5.294 . 0 0 "[ . 1 . 2]" 1
55 1 3 THR HA 1 4 PHE H . . 2.950 2.338 2.279 2.401 . 0 0 "[ . 1 . 2]" 1
56 1 3 THR HA 1 4 PHE QD . . 4.480 4.314 4.185 4.387 . 0 0 "[ . 1 . 2]" 1
57 1 3 THR HA 1 51 LEU QD . . 5.440 5.045 4.923 5.234 . 0 0 "[ . 1 . 2]" 1
58 1 3 THR HB 1 4 PHE H . . 4.070 3.822 3.705 3.974 . 0 0 "[ . 1 . 2]" 1
59 1 3 THR HB 1 18 TYR QE . . 5.120 4.675 4.237 5.115 . 0 0 "[ . 1 . 2]" 1
60 1 3 THR HB 1 51 LEU QD . . 3.900 3.803 3.498 3.919 0.019 12 0 "[ . 1 . 2]" 1
61 1 3 THR MG 1 4 PHE H . . 3.800 3.604 3.448 3.801 0.001 1 0 "[ . 1 . 2]" 1
62 1 3 THR MG 1 4 PHE HA . . 4.720 4.388 4.217 4.585 . 0 0 "[ . 1 . 2]" 1
63 1 3 THR MG 1 5 ALA H . . 5.470 4.750 4.061 5.184 . 0 0 "[ . 1 . 2]" 1
64 1 3 THR MG 1 18 TYR QD . . 4.650 4.637 4.487 4.693 0.043 1 0 "[ . 1 . 2]" 1
65 1 3 THR MG 1 18 TYR QE . . 4.050 3.152 2.889 3.432 . 0 0 "[ . 1 . 2]" 1
66 1 3 THR MG 1 49 VAL H . . 3.880 3.723 3.349 3.899 0.019 18 0 "[ . 1 . 2]" 1
67 1 3 THR MG 1 49 VAL HB . . 4.010 3.528 2.921 4.011 0.001 20 0 "[ . 1 . 2]" 1
68 1 3 THR MG 1 51 LEU QD . . 3.290 2.412 2.039 2.726 . 0 0 "[ . 1 . 2]" 1
69 1 4 PHE H 1 4 PHE HB2 . . 3.390 2.656 2.640 2.674 . 0 0 "[ . 1 . 2]" 1
70 1 4 PHE H 1 4 PHE QD . . 3.840 2.979 2.585 3.088 . 0 0 "[ . 1 . 2]" 1
71 1 4 PHE H 1 5 ALA H . . 4.770 4.534 4.322 4.618 . 0 0 "[ . 1 . 2]" 1
72 1 4 PHE HA 1 4 PHE QD . . 4.030 2.379 2.227 2.707 . 0 0 "[ . 1 . 2]" 1
73 1 4 PHE HA 1 5 ALA H . . 2.690 2.182 2.139 2.306 . 0 0 "[ . 1 . 2]" 1
74 1 4 PHE HA 1 48 ALA HA . . 3.410 2.223 1.992 2.996 . 0 0 "[ . 1 . 2]" 1
75 1 4 PHE HA 1 48 ALA MB . . 4.570 3.590 3.012 4.271 . 0 0 "[ . 1 . 2]" 1
76 1 4 PHE HA 1 49 VAL H . . 3.810 3.692 3.348 3.817 0.007 17 0 "[ . 1 . 2]" 1
77 1 4 PHE HA 1 49 VAL QG . . 4.850 3.970 3.364 4.747 . 0 0 "[ . 1 . 2]" 1
78 1 4 PHE HB2 1 46 GLY HA2 . . 4.570 3.813 3.741 3.900 . 0 0 "[ . 1 . 2]" 1
79 1 4 PHE HB2 1 46 GLY HA3 . . 5.500 5.507 5.470 5.522 0.022 5 0 "[ . 1 . 2]" 1
80 1 4 PHE HB3 1 5 ALA H . . 3.820 3.226 2.723 3.735 . 0 0 "[ . 1 . 2]" 1
81 1 4 PHE HB3 1 6 LEU HG . . 4.990 4.312 3.731 4.654 . 0 0 "[ . 1 . 2]" 1
82 1 4 PHE HB3 1 46 GLY H . . 4.850 3.045 2.422 3.772 . 0 0 "[ . 1 . 2]" 1
83 1 4 PHE HB3 1 46 GLY HA2 . . 4.190 2.483 2.154 2.685 . 0 0 "[ . 1 . 2]" 1
84 1 4 PHE HB3 1 46 GLY HA3 . . 4.480 4.042 3.888 4.182 . 0 0 "[ . 1 . 2]" 1
85 1 4 PHE QD 1 5 ALA H . . 4.680 4.179 4.075 4.388 . 0 0 "[ . 1 . 2]" 1
86 1 4 PHE QD 1 6 LEU QD . . 4.790 3.848 3.312 4.374 . 0 0 "[ . 1 . 2]" 1
87 1 4 PHE QD 1 46 GLY HA2 . . 5.060 3.880 3.630 4.120 . 0 0 "[ . 1 . 2]" 1
88 1 4 PHE QD 1 46 GLY HA3 . . 5.180 5.044 4.797 5.183 0.003 1 0 "[ . 1 . 2]" 1
89 1 4 PHE QD 1 48 ALA H . . 4.720 3.377 2.805 4.661 . 0 0 "[ . 1 . 2]" 1
90 1 4 PHE QD 1 48 ALA HA . . 4.080 2.646 2.334 3.093 . 0 0 "[ . 1 . 2]" 1
91 1 4 PHE QD 1 48 ALA MB . . 3.920 2.569 1.978 3.251 . 0 0 "[ . 1 . 2]" 1
92 1 4 PHE QD 1 49 VAL H . . 4.820 4.679 4.474 4.823 0.003 20 0 "[ . 1 . 2]" 1
93 1 5 ALA H 1 5 ALA MB . . 2.880 2.265 2.150 2.355 . 0 0 "[ . 1 . 2]" 1
94 1 5 ALA H 1 6 LEU H . . 4.680 4.428 4.160 4.639 . 0 0 "[ . 1 . 2]" 1
95 1 5 ALA H 1 6 LEU QD . . 4.830 4.227 3.658 4.733 . 0 0 "[ . 1 . 2]" 1
96 1 5 ALA H 1 14 ILE MD . . 5.500 4.583 4.362 4.905 . 0 0 "[ . 1 . 2]" 1
97 1 5 ALA H 1 43 LEU QD . . 5.440 4.415 3.937 5.006 . 0 0 "[ . 1 . 2]" 1
98 1 5 ALA H 1 46 GLY HA2 . . 5.310 4.806 4.091 5.323 0.013 8 0 "[ . 1 . 2]" 1
99 1 5 ALA H 1 47 THR H . . 3.830 3.422 2.972 3.832 0.002 5 0 "[ . 1 . 2]" 1
100 1 5 ALA H 1 47 THR HB . . 3.930 3.528 2.917 3.899 . 0 0 "[ . 1 . 2]" 1
101 1 5 ALA H 1 47 THR MG . . 4.650 4.150 3.879 4.334 . 0 0 "[ . 1 . 2]" 1
102 1 5 ALA H 1 48 ALA H . . 4.910 4.741 4.480 4.888 . 0 0 "[ . 1 . 2]" 1
103 1 5 ALA H 1 48 ALA HA . . 3.910 3.569 3.131 3.924 0.014 18 0 "[ . 1 . 2]" 1
104 1 5 ALA H 1 48 ALA MB . . 5.210 4.911 4.435 5.142 . 0 0 "[ . 1 . 2]" 1
105 1 5 ALA H 1 49 VAL H . . 4.900 4.448 3.718 4.897 . 0 0 "[ . 1 . 2]" 1
106 1 5 ALA H 1 49 VAL QG . . 4.070 3.269 2.553 4.031 . 0 0 "[ . 1 . 2]" 1
107 1 5 ALA HA 1 6 LEU H . . 2.820 2.214 2.146 2.316 . 0 0 "[ . 1 . 2]" 1
108 1 5 ALA HA 1 6 LEU HG . . 4.990 3.830 3.340 4.920 . 0 0 "[ . 1 . 2]" 1
109 1 5 ALA HA 1 9 ASP HB2 . . 4.710 3.568 3.352 3.796 . 0 0 "[ . 1 . 2]" 1
110 1 5 ALA HA 1 9 ASP HB3 . . 4.880 3.057 2.815 3.250 . 0 0 "[ . 1 . 2]" 1
111 1 5 ALA HA 1 14 ILE MD . . 3.520 2.953 2.688 3.208 . 0 0 "[ . 1 . 2]" 1
112 1 5 ALA HA 1 14 ILE HG12 . . 5.030 4.906 4.591 5.045 0.015 10 0 "[ . 1 . 2]" 1
113 1 5 ALA HA 1 14 ILE HG13 . . 5.350 4.824 4.526 5.126 . 0 0 "[ . 1 . 2]" 1
114 1 5 ALA HA 1 43 LEU QD . . 5.280 4.072 3.407 4.428 . 0 0 "[ . 1 . 2]" 1
115 1 5 ALA MB 1 6 LEU H . . 3.570 3.102 2.668 3.471 . 0 0 "[ . 1 . 2]" 1
116 1 5 ALA MB 1 9 ASP HA . . 5.420 5.280 4.988 5.427 0.007 20 0 "[ . 1 . 2]" 1
117 1 5 ALA MB 1 9 ASP HB2 . . 4.110 4.132 3.992 4.180 0.070 17 0 "[ . 1 . 2]" 1
118 1 5 ALA MB 1 9 ASP HB3 . . 3.990 4.008 3.877 4.037 0.047 19 0 "[ . 1 . 2]" 1
119 1 5 ALA MB 1 11 LEU H . . 4.860 4.338 3.988 4.720 . 0 0 "[ . 1 . 2]" 1
120 1 5 ALA MB 1 14 ILE MD . . 3.350 2.875 2.209 3.125 . 0 0 "[ . 1 . 2]" 1
121 1 5 ALA MB 1 43 LEU QD . . 3.270 1.969 1.614 2.350 . 0 0 "[ . 1 . 2]" 1
122 1 5 ALA MB 1 44 PRO QD . . 5.350 4.107 3.314 4.968 . 0 0 "[ . 1 . 2]" 1
123 1 5 ALA MB 1 45 HIS HA . . 4.420 4.201 3.359 4.428 0.008 13 0 "[ . 1 . 2]" 1
124 1 5 ALA MB 1 47 THR H . . 3.930 3.730 2.896 3.989 0.059 19 0 "[ . 1 . 2]" 1
125 1 5 ALA MB 1 47 THR HA . . 5.400 5.045 4.299 5.368 . 0 0 "[ . 1 . 2]" 1
126 1 5 ALA MB 1 47 THR HB . . 3.240 2.905 1.902 3.255 0.015 17 0 "[ . 1 . 2]" 1
127 1 5 ALA MB 1 47 THR MG . . 3.940 3.568 2.932 3.902 . 0 0 "[ . 1 . 2]" 1
128 1 6 LEU H 1 6 LEU QB . . 3.270 2.692 2.354 2.887 . 0 0 "[ . 1 . 2]" 1
129 1 6 LEU H 1 6 LEU MD1 . . 4.360 3.681 2.079 4.216 . 0 0 "[ . 1 . 2]" 1
130 1 6 LEU H 1 6 LEU QD . . 3.820 3.199 2.074 3.744 . 0 0 "[ . 1 . 2]" 1
131 1 6 LEU H 1 6 LEU MD2 . . 4.360 3.785 2.938 4.358 . 0 0 "[ . 1 . 2]" 1
132 1 6 LEU H 1 6 LEU HG . . 3.440 2.850 2.158 3.469 0.029 13 0 "[ . 1 . 2]" 1
133 1 6 LEU H 1 7 GLN H . . 5.030 4.411 4.367 4.454 . 0 0 "[ . 1 . 2]" 1
134 1 6 LEU H 1 9 ASP H . . 4.120 3.809 3.494 4.099 . 0 0 "[ . 1 . 2]" 1
135 1 6 LEU H 1 9 ASP HA . . 5.070 4.573 4.432 4.737 . 0 0 "[ . 1 . 2]" 1
136 1 6 LEU H 1 9 ASP HB2 . . 3.660 1.929 1.908 1.988 . 0 0 "[ . 1 . 2]" 1
137 1 6 LEU H 1 9 ASP HB3 . . 4.170 2.514 2.418 2.594 . 0 0 "[ . 1 . 2]" 1
138 1 6 LEU H 1 14 ILE MD . . 4.470 4.302 4.148 4.450 . 0 0 "[ . 1 . 2]" 1
139 1 6 LEU H 1 14 ILE HG13 . . 5.500 5.534 5.401 5.610 0.110 7 0 "[ . 1 . 2]" 1
140 1 6 LEU HA 1 6 LEU MD1 . . 4.300 3.877 3.313 3.979 . 0 0 "[ . 1 . 2]" 1
141 1 6 LEU HA 1 6 LEU QD . . 2.930 2.365 2.072 3.040 0.110 13 0 "[ . 1 . 2]" 1
142 1 6 LEU HA 1 6 LEU MD2 . . 4.300 2.419 2.079 3.537 . 0 0 "[ . 1 . 2]" 1
143 1 6 LEU HA 1 6 LEU HG . . 3.960 3.066 2.419 3.474 . 0 0 "[ . 1 . 2]" 1
144 1 6 LEU HA 1 7 GLN H . . 3.040 2.636 2.626 2.646 . 0 0 "[ . 1 . 2]" 1
145 1 6 LEU HA 1 45 HIS HA . . 4.850 2.114 1.977 2.449 . 0 0 "[ . 1 . 2]" 1
146 1 6 LEU HA 1 46 GLY H . . 4.810 3.721 3.303 4.039 . 0 0 "[ . 1 . 2]" 1
147 1 6 LEU QB 1 6 LEU QD . . 2.810 1.891 1.772 1.944 . 0 0 "[ . 1 . 2]" 1
148 1 6 LEU QB 1 7 GLN H . . 3.180 2.028 1.923 2.119 . 0 0 "[ . 1 . 2]" 1
149 1 6 LEU QB 1 9 ASP HB2 . . 4.720 2.621 2.385 2.791 . 0 0 "[ . 1 . 2]" 1
150 1 6 LEU QB 1 9 ASP HB3 . . 4.930 3.786 3.426 4.044 . 0 0 "[ . 1 . 2]" 1
151 1 6 LEU QD 1 7 GLN H . . 4.200 3.348 2.995 3.579 . 0 0 "[ . 1 . 2]" 1
152 1 6 LEU MD1 1 7 GLN H . . 4.870 4.208 4.054 4.549 . 0 0 "[ . 1 . 2]" 1
153 1 6 LEU MD2 1 7 GLN H . . 4.870 3.547 3.074 3.939 . 0 0 "[ . 1 . 2]" 1
154 1 6 LEU HG 1 45 HIS HA . . 5.310 3.902 2.626 4.575 . 0 0 "[ . 1 . 2]" 1
155 1 7 GLN H 1 7 GLN QB . . 2.960 2.196 2.044 2.474 . 0 0 "[ . 1 . 2]" 1
156 1 7 GLN H 1 7 GLN HG2 . . 4.890 3.904 2.132 4.606 . 0 0 "[ . 1 . 2]" 1
157 1 7 GLN H 1 7 GLN QG . . 4.100 3.343 2.117 4.043 . 0 0 "[ . 1 . 2]" 1
158 1 7 GLN H 1 7 GLN HG3 . . 4.890 3.903 3.322 4.477 . 0 0 "[ . 1 . 2]" 1
159 1 7 GLN H 1 8 GLY H . . 4.840 4.514 4.465 4.538 . 0 0 "[ . 1 . 2]" 1
160 1 7 GLN H 1 45 HIS HB3 . . 4.680 3.258 2.813 3.863 . 0 0 "[ . 1 . 2]" 1
161 1 7 GLN HA 1 8 GLY H . . 2.750 2.147 2.143 2.151 . 0 0 "[ . 1 . 2]" 1
162 1 7 GLN HA 1 9 ASP H . . 3.840 3.550 3.487 3.658 . 0 0 "[ . 1 . 2]" 1
163 1 7 GLN HA 1 42 VAL QG . . 3.620 2.566 1.889 3.257 . 0 0 "[ . 1 . 2]" 1
164 1 7 GLN HA 1 45 HIS HB3 . . 5.150 5.084 4.749 5.181 0.031 1 0 "[ . 1 . 2]" 1
165 1 7 GLN QB 1 8 GLY H . . 4.180 3.581 3.238 3.791 . 0 0 "[ . 1 . 2]" 1
166 1 7 GLN QB 1 45 HIS HB2 . . 5.500 5.513 5.462 5.558 0.058 15 0 "[ . 1 . 2]" 1
167 1 7 GLN QB 1 45 HIS HB3 . . 4.890 4.300 4.086 4.706 . 0 0 "[ . 1 . 2]" 1
168 1 7 GLN QG 1 8 GLY H . . 4.250 3.314 2.791 4.240 . 0 0 "[ . 1 . 2]" 1
169 1 7 GLN HG2 1 8 GLY H . . 5.080 3.821 2.836 4.992 . 0 0 "[ . 1 . 2]" 1
170 1 7 GLN HG3 1 8 GLY H . . 5.080 3.921 2.881 4.668 . 0 0 "[ . 1 . 2]" 1
171 1 8 GLY H 1 9 ASP H . . 3.080 2.621 2.551 2.694 . 0 0 "[ . 1 . 2]" 1
172 1 8 GLY H 1 9 ASP HB2 . . 4.820 4.802 4.682 4.851 0.031 8 0 "[ . 1 . 2]" 1
173 1 8 GLY H 1 42 VAL QG . . 4.060 2.405 1.963 2.760 . 0 0 "[ . 1 . 2]" 1
174 1 8 GLY HA2 1 13 ALA MB . . 5.360 3.910 3.750 4.104 . 0 0 "[ . 1 . 2]" 1
175 1 8 GLY HA2 1 42 VAL QG . . 3.640 3.639 3.518 3.684 0.044 11 0 "[ . 1 . 2]" 1
176 1 8 GLY HA3 1 42 VAL QG . . 4.700 4.550 4.300 4.740 0.040 13 0 "[ . 1 . 2]" 1
177 1 9 ASP H 1 9 ASP HB2 . . 2.830 2.513 2.450 2.531 . 0 0 "[ . 1 . 2]" 1
178 1 9 ASP H 1 9 ASP HB3 . . 3.680 3.662 3.625 3.680 0.000 8 0 "[ . 1 . 2]" 1
179 1 9 ASP H 1 10 THR H . . 4.160 2.376 2.341 2.466 . 0 0 "[ . 1 . 2]" 1
180 1 9 ASP H 1 13 ALA MB . . 4.190 3.993 3.850 4.161 . 0 0 "[ . 1 . 2]" 1
181 1 9 ASP H 1 42 VAL QG . . 4.000 3.642 3.289 3.984 . 0 0 "[ . 1 . 2]" 1
182 1 9 ASP H 1 43 LEU H . . 5.500 5.411 4.371 5.562 0.062 13 0 "[ . 1 . 2]" 1
183 1 9 ASP H 1 43 LEU QD . . 5.440 4.831 3.623 5.154 . 0 0 "[ . 1 . 2]" 1
184 1 9 ASP HA 1 10 THR H . . 2.990 2.980 2.968 2.992 0.002 10 0 "[ . 1 . 2]" 1
185 1 9 ASP HA 1 10 THR MG . . 4.510 4.486 4.461 4.521 0.011 19 0 "[ . 1 . 2]" 1
186 1 9 ASP HA 1 13 ALA H . . 5.160 4.610 4.426 4.708 . 0 0 "[ . 1 . 2]" 1
187 1 9 ASP HA 1 13 ALA MB . . 3.680 2.287 2.115 2.441 . 0 0 "[ . 1 . 2]" 1
188 1 9 ASP HA 1 14 ILE H . . 5.140 3.895 3.763 3.984 . 0 0 "[ . 1 . 2]" 1
189 1 9 ASP HA 1 14 ILE MD . . 5.500 4.425 4.334 4.543 . 0 0 "[ . 1 . 2]" 1
190 1 9 ASP HB2 1 10 THR H . . 4.350 4.079 4.060 4.099 . 0 0 "[ . 1 . 2]" 1
191 1 9 ASP HB2 1 14 ILE MD . . 4.750 4.622 4.484 4.749 . 0 0 "[ . 1 . 2]" 1
192 1 9 ASP HB2 1 14 ILE HG12 . . 5.500 5.532 5.513 5.559 0.059 4 0 "[ . 1 . 2]" 1
193 1 9 ASP HB2 1 14 ILE HG13 . . 5.060 5.048 4.935 5.146 0.086 18 0 "[ . 1 . 2]" 1
194 1 9 ASP HB2 1 43 LEU QD . . 5.440 5.270 3.974 5.483 0.043 17 0 "[ . 1 . 2]" 1
195 1 9 ASP HB3 1 10 THR H . . 4.370 4.324 4.305 4.344 . 0 0 "[ . 1 . 2]" 1
196 1 9 ASP HB3 1 13 ALA MB . . 5.140 4.269 4.079 4.417 . 0 0 "[ . 1 . 2]" 1
197 1 9 ASP HB3 1 14 ILE H . . 5.180 5.091 4.938 5.190 0.010 2 0 "[ . 1 . 2]" 1
198 1 9 ASP HB3 1 14 ILE MD . . 3.810 3.365 3.167 3.575 . 0 0 "[ . 1 . 2]" 1
199 1 9 ASP HB3 1 14 ILE HG12 . . 4.820 3.817 3.792 3.834 . 0 0 "[ . 1 . 2]" 1
200 1 9 ASP HB3 1 14 ILE HG13 . . 4.400 3.608 3.445 3.751 . 0 0 "[ . 1 . 2]" 1
201 1 9 ASP HB3 1 43 LEU QD . . 5.440 5.283 4.279 5.482 0.042 13 0 "[ . 1 . 2]" 1
202 1 10 THR H 1 10 THR MG . . 3.630 1.969 1.896 2.102 . 0 0 "[ . 1 . 2]" 1
203 1 10 THR H 1 11 LEU H . . 4.750 4.553 4.537 4.566 . 0 0 "[ . 1 . 2]" 1
204 1 10 THR H 1 13 ALA H . . 3.870 3.726 3.671 3.762 . 0 0 "[ . 1 . 2]" 1
205 1 10 THR H 1 13 ALA MB . . 2.980 2.764 2.482 2.952 . 0 0 "[ . 1 . 2]" 1
206 1 10 THR H 1 14 ILE H . . 4.590 4.393 4.313 4.453 . 0 0 "[ . 1 . 2]" 1
207 1 10 THR H 1 14 ILE MD . . 5.400 4.699 4.592 4.788 . 0 0 "[ . 1 . 2]" 1
208 1 10 THR H 1 14 ILE HG13 . . 4.720 4.441 4.364 4.562 . 0 0 "[ . 1 . 2]" 1
209 1 10 THR H 1 42 VAL QG . . 4.700 3.934 3.635 4.338 . 0 0 "[ . 1 . 2]" 1
210 1 10 THR H 1 43 LEU H . . 5.180 4.956 4.407 5.114 . 0 0 "[ . 1 . 2]" 1
211 1 10 THR H 1 43 LEU QD . . 5.440 4.015 3.453 4.285 . 0 0 "[ . 1 . 2]" 1
212 1 10 THR HA 1 10 THR MG . . 3.200 2.483 2.451 2.499 . 0 0 "[ . 1 . 2]" 1
213 1 10 THR HA 1 11 LEU H . . 3.060 2.578 2.552 2.611 . 0 0 "[ . 1 . 2]" 1
214 1 10 THR HA 1 11 LEU QD . . 4.910 4.067 3.715 4.598 . 0 0 "[ . 1 . 2]" 1
215 1 10 THR HA 1 11 LEU HG . . 4.290 4.182 4.006 4.293 0.003 1 0 "[ . 1 . 2]" 1
216 1 10 THR HA 1 12 ASP H . . 4.620 4.561 4.401 4.639 0.019 7 0 "[ . 1 . 2]" 1
217 1 10 THR HA 1 42 VAL QG . . 5.500 4.617 4.149 5.217 . 0 0 "[ . 1 . 2]" 1
218 1 10 THR HA 1 43 LEU H . . 4.330 4.294 3.942 4.475 0.145 13 0 "[ . 1 . 2]" 1
219 1 10 THR HA 1 43 LEU QD . . 4.280 2.030 1.878 2.249 . 0 0 "[ . 1 . 2]" 1
220 1 10 THR HB 1 11 LEU H . . 3.250 2.180 2.130 2.241 . 0 0 "[ . 1 . 2]" 1
221 1 10 THR HB 1 11 LEU QD . . 4.720 4.017 2.773 4.335 . 0 0 "[ . 1 . 2]" 1
222 1 10 THR HB 1 12 ASP H . . 3.570 3.483 3.408 3.578 0.008 13 0 "[ . 1 . 2]" 1
223 1 10 THR HB 1 12 ASP QB . . 4.530 4.400 4.284 4.532 0.002 5 0 "[ . 1 . 2]" 1
224 1 10 THR HB 1 13 ALA H . . 5.500 4.642 4.483 4.811 . 0 0 "[ . 1 . 2]" 1
225 1 10 THR HB 1 42 VAL HA . . 4.640 4.085 3.565 4.652 0.012 17 0 "[ . 1 . 2]" 1
226 1 10 THR HB 1 42 VAL QG . . 5.440 4.233 3.857 5.000 . 0 0 "[ . 1 . 2]" 1
227 1 10 THR HB 1 43 LEU QD . . 5.440 2.072 1.859 2.493 . 0 0 "[ . 1 . 2]" 1
228 1 10 THR MG 1 11 LEU H . . 4.100 3.763 3.722 3.804 . 0 0 "[ . 1 . 2]" 1
229 1 10 THR MG 1 12 ASP H . . 4.660 4.404 4.273 4.493 . 0 0 "[ . 1 . 2]" 1
230 1 10 THR MG 1 13 ALA H . . 4.530 4.483 4.402 4.557 0.027 2 0 "[ . 1 . 2]" 1
231 1 10 THR MG 1 42 VAL H . . 4.900 4.520 4.152 4.908 0.008 3 0 "[ . 1 . 2]" 1
232 1 10 THR MG 1 42 VAL HA . . 3.240 2.033 1.898 2.366 . 0 0 "[ . 1 . 2]" 1
233 1 10 THR MG 1 42 VAL QG . . 3.080 2.052 1.814 2.718 . 0 0 "[ . 1 . 2]" 1
234 1 10 THR MG 1 43 LEU H . . 4.200 1.876 1.830 1.980 . 0 0 "[ . 1 . 2]" 1
235 1 11 LEU H 1 11 LEU HB2 . . 3.260 2.658 2.475 2.748 . 0 0 "[ . 1 . 2]" 1
236 1 11 LEU H 1 11 LEU HB3 . . 3.620 3.580 3.568 3.589 . 0 0 "[ . 1 . 2]" 1
237 1 11 LEU H 1 11 LEU QD . . 3.870 2.718 1.996 3.105 . 0 0 "[ . 1 . 2]" 1
238 1 11 LEU H 1 12 ASP H . . 3.320 2.855 2.813 2.884 . 0 0 "[ . 1 . 2]" 1
239 1 11 LEU H 1 13 ALA H . . 4.820 4.227 4.111 4.393 . 0 0 "[ . 1 . 2]" 1
240 1 11 LEU H 1 43 LEU QD . . 4.120 2.378 2.095 2.572 . 0 0 "[ . 1 . 2]" 1
241 1 11 LEU HA 1 11 LEU MD1 . . 4.510 3.857 3.650 3.944 . 0 0 "[ . 1 . 2]" 1
242 1 11 LEU HA 1 11 LEU QD . . 3.200 2.288 1.999 3.121 . 0 0 "[ . 1 . 2]" 1
243 1 11 LEU HA 1 11 LEU MD2 . . 4.510 2.324 2.005 3.389 . 0 0 "[ . 1 . 2]" 1
244 1 11 LEU HA 1 14 ILE H . . 3.640 3.524 3.468 3.619 . 0 0 "[ . 1 . 2]" 1
245 1 11 LEU HA 1 14 ILE HB . . 3.550 2.484 2.292 2.682 . 0 0 "[ . 1 . 2]" 1
246 1 11 LEU HA 1 14 ILE MD . . 3.630 2.965 2.782 3.276 . 0 0 "[ . 1 . 2]" 1
247 1 11 LEU HA 1 14 ILE MG . . 4.310 3.927 3.759 4.056 . 0 0 "[ . 1 . 2]" 1
248 1 11 LEU HA 1 15 CYS H . . 3.620 3.165 2.973 3.581 . 0 0 "[ . 1 . 2]" 1
249 1 11 LEU HA 1 29 VAL QG . . 4.800 3.984 3.593 4.481 . 0 0 "[ . 1 . 2]" 1
250 1 11 LEU HA 1 43 LEU QD . . 4.270 4.262 4.005 4.356 0.086 15 0 "[ . 1 . 2]" 1
251 1 11 LEU HB2 1 12 ASP H . . 3.550 2.536 2.446 2.713 . 0 0 "[ . 1 . 2]" 1
252 1 11 LEU HB2 1 43 LEU QD . . 4.540 4.042 3.581 4.524 . 0 0 "[ . 1 . 2]" 1
253 1 11 LEU HB3 1 12 ASP H . . 3.790 3.692 3.554 3.796 0.006 2 0 "[ . 1 . 2]" 1
254 1 11 LEU HB3 1 14 ILE MD . . 5.500 4.923 4.775 5.196 . 0 0 "[ . 1 . 2]" 1
255 1 11 LEU HB3 1 14 ILE MG . . 5.500 5.429 5.215 5.516 0.016 7 0 "[ . 1 . 2]" 1
256 1 11 LEU HB3 1 15 CYS H . . 4.770 4.374 4.168 4.772 0.002 4 0 "[ . 1 . 2]" 1
257 1 11 LEU HB3 1 26 VAL MG1 . . 4.000 3.663 2.811 4.003 0.003 19 0 "[ . 1 . 2]" 1
258 1 11 LEU HB3 1 43 LEU QD . . 5.440 4.799 4.437 5.162 . 0 0 "[ . 1 . 2]" 1
259 1 11 LEU QD 1 12 ASP H . . 4.240 3.914 3.192 4.135 . 0 0 "[ . 1 . 2]" 1
260 1 11 LEU QD 1 26 VAL HA . . 4.460 3.806 3.406 4.140 . 0 0 "[ . 1 . 2]" 1
261 1 11 LEU QD 1 29 VAL HB . . 3.440 2.534 2.149 2.963 . 0 0 "[ . 1 . 2]" 1
262 1 11 LEU QD 1 29 VAL QG . . 3.710 1.775 1.617 1.981 . 0 0 "[ . 1 . 2]" 1
263 1 11 LEU QD 1 30 LEU H . . 4.340 3.928 3.338 4.343 0.003 1 0 "[ . 1 . 2]" 1
264 1 11 LEU QD 1 30 LEU HA . . 4.130 3.625 3.155 3.971 . 0 0 "[ . 1 . 2]" 1
265 1 11 LEU QD 1 49 VAL HA . . 5.440 4.691 4.279 5.288 . 0 0 "[ . 1 . 2]" 1
266 1 11 LEU QD 1 49 VAL HB . . 4.880 3.609 3.099 4.576 . 0 0 "[ . 1 . 2]" 1
267 1 11 LEU QD 1 49 VAL QG . . 3.110 1.931 1.704 2.411 . 0 0 "[ . 1 . 2]" 1
268 1 11 LEU MD1 1 33 ASN QB . . 5.500 4.040 3.294 5.014 . 0 0 "[ . 1 . 2]" 1
269 1 11 LEU MD2 1 33 ASN QB . . 5.500 4.030 3.632 4.800 . 0 0 "[ . 1 . 2]" 1
270 1 11 LEU HG 1 29 VAL QG . . 4.680 3.883 3.389 4.204 . 0 0 "[ . 1 . 2]" 1
271 1 11 LEU HG 1 43 LEU QD . . 4.120 2.595 2.109 2.980 . 0 0 "[ . 1 . 2]" 1
272 1 12 ASP H 1 12 ASP QB . . 2.950 2.290 2.216 2.483 . 0 0 "[ . 1 . 2]" 1
273 1 12 ASP H 1 13 ALA H . . 3.350 2.749 2.681 2.792 . 0 0 "[ . 1 . 2]" 1
274 1 12 ASP H 1 14 ILE H . . 4.690 4.512 4.312 4.612 . 0 0 "[ . 1 . 2]" 1
275 1 12 ASP H 1 22 THR MG . . 4.680 4.403 4.239 4.558 . 0 0 "[ . 1 . 2]" 1
276 1 12 ASP HA 1 15 CYS QB . . 3.860 3.270 3.020 3.532 . 0 0 "[ . 1 . 2]" 1
277 1 12 ASP HA 1 16 VAL H . . 5.120 4.854 4.659 5.029 . 0 0 "[ . 1 . 2]" 1
278 1 12 ASP HA 1 16 VAL MG2 . . 4.870 3.828 3.722 4.177 . 0 0 "[ . 1 . 2]" 1
279 1 12 ASP HA 1 22 THR MG . . 2.860 2.213 2.022 2.357 . 0 0 "[ . 1 . 2]" 1
280 1 12 ASP QB 1 13 ALA H . . 3.140 2.762 2.638 2.830 . 0 0 "[ . 1 . 2]" 1
281 1 12 ASP QB 1 13 ALA MB . . 4.760 3.777 3.583 3.936 . 0 0 "[ . 1 . 2]" 1
282 1 12 ASP QB 1 14 ILE H . . 5.380 5.028 4.873 5.149 . 0 0 "[ . 1 . 2]" 1
283 1 12 ASP QB 1 16 VAL MG2 . . 5.150 4.440 4.002 4.880 . 0 0 "[ . 1 . 2]" 1
284 1 12 ASP QB 1 22 THR MG . . 3.540 3.399 3.007 3.544 0.004 1 0 "[ . 1 . 2]" 1
285 1 13 ALA H 1 13 ALA MB . . 2.810 2.159 2.109 2.295 . 0 0 "[ . 1 . 2]" 1
286 1 13 ALA H 1 14 ILE H . . 3.230 2.512 2.438 2.560 . 0 0 "[ . 1 . 2]" 1
287 1 13 ALA H 1 14 ILE HB . . 4.600 4.550 4.517 4.573 . 0 0 "[ . 1 . 2]" 1
288 1 13 ALA H 1 14 ILE MD . . 5.140 4.867 4.756 4.976 . 0 0 "[ . 1 . 2]" 1
289 1 13 ALA H 1 14 ILE HG13 . . 4.650 4.138 3.953 4.300 . 0 0 "[ . 1 . 2]" 1
290 1 13 ALA H 1 15 CYS H . . 4.180 3.933 3.628 4.158 . 0 0 "[ . 1 . 2]" 1
291 1 13 ALA H 1 16 VAL MG2 . . 5.120 4.670 4.570 4.813 . 0 0 "[ . 1 . 2]" 1
292 1 13 ALA H 1 22 THR MG . . 5.070 4.899 4.697 5.005 . 0 0 "[ . 1 . 2]" 1
293 1 13 ALA HA 1 16 VAL H . . 3.770 3.495 3.285 3.564 . 0 0 "[ . 1 . 2]" 1
294 1 13 ALA HA 1 16 VAL HB . . 3.530 2.903 2.776 3.283 . 0 0 "[ . 1 . 2]" 1
295 1 13 ALA HA 1 16 VAL MG2 . . 4.040 3.149 2.942 3.277 . 0 0 "[ . 1 . 2]" 1
296 1 13 ALA MB 1 14 ILE H . . 3.260 2.386 2.173 2.533 . 0 0 "[ . 1 . 2]" 1
297 1 13 ALA MB 1 14 ILE HA . . 5.500 3.660 3.610 3.747 . 0 0 "[ . 1 . 2]" 1
298 1 13 ALA MB 1 14 ILE HG13 . . 4.210 3.230 2.994 3.384 . 0 0 "[ . 1 . 2]" 1
299 1 13 ALA MB 1 14 ILE MG . . 5.420 4.880 4.839 4.926 . 0 0 "[ . 1 . 2]" 1
300 1 13 ALA MB 1 16 VAL H . . 4.710 4.435 4.367 4.517 . 0 0 "[ . 1 . 2]" 1
301 1 13 ALA MB 1 16 VAL HB . . 4.760 4.185 4.031 4.387 . 0 0 "[ . 1 . 2]" 1
302 1 14 ILE H 1 14 ILE HB . . 2.940 2.590 2.536 2.615 . 0 0 "[ . 1 . 2]" 1
303 1 14 ILE H 1 14 ILE MD . . 3.670 3.402 3.308 3.477 . 0 0 "[ . 1 . 2]" 1
304 1 14 ILE H 1 14 ILE HG12 . . 3.570 3.375 3.300 3.471 . 0 0 "[ . 1 . 2]" 1
305 1 14 ILE H 1 14 ILE HG13 . . 3.060 1.991 1.943 2.085 . 0 0 "[ . 1 . 2]" 1
306 1 14 ILE H 1 14 ILE MG . . 3.820 3.767 3.764 3.768 . 0 0 "[ . 1 . 2]" 1
307 1 14 ILE H 1 15 CYS H . . 3.140 2.897 2.763 2.966 . 0 0 "[ . 1 . 2]" 1
308 1 14 ILE H 1 15 CYS QB . . 5.180 4.738 4.649 4.778 . 0 0 "[ . 1 . 2]" 1
309 1 14 ILE H 1 17 ARG QD . . 5.340 4.550 3.964 5.408 0.068 18 0 "[ . 1 . 2]" 1
310 1 14 ILE HA 1 14 ILE MD . . 4.090 3.857 3.840 3.871 . 0 0 "[ . 1 . 2]" 1
311 1 14 ILE HA 1 14 ILE HG12 . . 3.470 2.607 2.562 2.665 . 0 0 "[ . 1 . 2]" 1
312 1 14 ILE HA 1 14 ILE HG13 . . 3.850 2.888 2.815 2.954 . 0 0 "[ . 1 . 2]" 1
313 1 14 ILE HA 1 14 ILE MG . . 3.460 2.393 2.327 2.422 . 0 0 "[ . 1 . 2]" 1
314 1 14 ILE HA 1 17 ARG H . . 3.940 3.141 3.043 3.328 . 0 0 "[ . 1 . 2]" 1
315 1 14 ILE HA 1 17 ARG HA . . 5.370 5.171 4.966 5.396 0.026 18 0 "[ . 1 . 2]" 1
316 1 14 ILE HA 1 17 ARG HB2 . . 4.390 3.870 2.173 4.591 0.201 18 0 "[ . 1 . 2]" 1
317 1 14 ILE HA 1 17 ARG QB . . 3.740 2.902 2.161 3.636 . 0 0 "[ . 1 . 2]" 1
318 1 14 ILE HA 1 17 ARG HB3 . . 4.390 3.369 2.930 3.959 . 0 0 "[ . 1 . 2]" 1
319 1 14 ILE HA 1 17 ARG HG2 . . 4.740 2.586 1.910 4.327 . 0 0 "[ . 1 . 2]" 1
320 1 14 ILE HA 1 17 ARG QG . . 4.130 2.175 1.835 2.764 . 0 0 "[ . 1 . 2]" 1
321 1 14 ILE HA 1 17 ARG HG3 . . 4.740 3.351 2.371 3.791 . 0 0 "[ . 1 . 2]" 1
322 1 14 ILE HA 1 18 TYR H . . 4.680 4.165 4.102 4.223 . 0 0 "[ . 1 . 2]" 1
323 1 14 ILE HA 1 18 TYR QD . . 4.690 3.119 2.845 3.304 . 0 0 "[ . 1 . 2]" 1
324 1 14 ILE HA 1 18 TYR QE . . 5.060 4.267 3.683 4.656 . 0 0 "[ . 1 . 2]" 1
325 1 14 ILE HB 1 14 ILE MD . . 3.350 2.362 2.319 2.410 . 0 0 "[ . 1 . 2]" 1
326 1 14 ILE HB 1 15 CYS H . . 3.260 2.462 2.272 2.900 . 0 0 "[ . 1 . 2]" 1
327 1 14 ILE HB 1 18 TYR QD . . 5.500 4.580 4.308 4.942 . 0 0 "[ . 1 . 2]" 1
328 1 14 ILE HB 1 51 LEU QD . . 4.860 3.438 3.066 3.739 . 0 0 "[ . 1 . 2]" 1
329 1 14 ILE MD 1 14 ILE MG . . 2.870 2.011 1.938 2.133 . 0 0 "[ . 1 . 2]" 1
330 1 14 ILE MD 1 15 CYS H . . 4.840 4.381 4.257 4.745 . 0 0 "[ . 1 . 2]" 1
331 1 14 ILE MD 1 49 VAL HB . . 4.160 3.247 2.888 3.483 . 0 0 "[ . 1 . 2]" 1
332 1 14 ILE MD 1 51 LEU QD . . 5.440 2.873 2.512 3.334 . 0 0 "[ . 1 . 2]" 1
333 1 14 ILE HG12 1 14 ILE MG . . 3.480 2.320 2.261 2.357 . 0 0 "[ . 1 . 2]" 1
334 1 14 ILE HG12 1 17 ARG QG . . 4.630 4.091 3.604 4.651 0.021 1 0 "[ . 1 . 2]" 1
335 1 14 ILE HG12 1 51 LEU QD . . 5.060 4.088 3.849 4.418 . 0 0 "[ . 1 . 2]" 1
336 1 14 ILE HG13 1 14 ILE MG . . 3.730 3.194 3.177 3.202 . 0 0 "[ . 1 . 2]" 1
337 1 14 ILE HG13 1 15 CYS H . . 4.640 4.213 4.127 4.387 . 0 0 "[ . 1 . 2]" 1
338 1 14 ILE HG13 1 17 ARG QG . . 4.910 4.647 4.149 4.886 . 0 0 "[ . 1 . 2]" 1
339 1 14 ILE HG13 1 49 VAL QG . . 5.440 5.226 4.659 5.454 0.014 18 0 "[ . 1 . 2]" 1
340 1 14 ILE HG13 1 51 LEU QD . . 5.440 4.768 4.534 5.040 . 0 0 "[ . 1 . 2]" 1
341 1 14 ILE MG 1 15 CYS H . . 3.480 3.278 3.150 3.553 0.073 4 0 "[ . 1 . 2]" 1
342 1 14 ILE MG 1 15 CYS HA . . 4.240 3.332 3.244 3.519 . 0 0 "[ . 1 . 2]" 1
343 1 14 ILE MG 1 17 ARG QB . . 5.340 4.152 3.153 4.791 . 0 0 "[ . 1 . 2]" 1
344 1 14 ILE MG 1 18 TYR H . . 4.370 3.988 3.802 4.239 . 0 0 "[ . 1 . 2]" 1
345 1 14 ILE MG 1 18 TYR HA . . 5.190 4.916 4.703 5.222 0.032 4 0 "[ . 1 . 2]" 1
346 1 14 ILE MG 1 18 TYR QB . . 4.400 2.920 2.769 3.231 . 0 0 "[ . 1 . 2]" 1
347 1 14 ILE MG 1 18 TYR QD . . 3.490 2.044 1.886 2.392 . 0 0 "[ . 1 . 2]" 1
348 1 14 ILE MG 1 18 TYR QE . . 3.900 2.539 2.205 2.929 . 0 0 "[ . 1 . 2]" 1
349 1 14 ILE MG 1 19 TYR H . . 5.130 4.837 4.735 5.019 . 0 0 "[ . 1 . 2]" 1
350 1 14 ILE MG 1 49 VAL HB . . 5.500 4.529 3.938 4.836 . 0 0 "[ . 1 . 2]" 1
351 1 14 ILE MG 1 51 LEU HB3 . . 5.290 4.395 4.006 4.829 . 0 0 "[ . 1 . 2]" 1
352 1 14 ILE MG 1 51 LEU MD1 . . 3.680 2.301 1.896 2.762 . 0 0 "[ . 1 . 2]" 1
353 1 14 ILE MG 1 51 LEU QD . . 2.970 1.849 1.659 2.037 . 0 0 "[ . 1 . 2]" 1
354 1 14 ILE MG 1 51 LEU MD2 . . 3.680 2.000 1.760 2.418 . 0 0 "[ . 1 . 2]" 1
355 1 15 CYS H 1 15 CYS HB2 . . 3.700 2.375 2.268 2.437 . 0 0 "[ . 1 . 2]" 1
356 1 15 CYS H 1 15 CYS QB . . 2.950 2.342 2.243 2.399 . 0 0 "[ . 1 . 2]" 1
357 1 15 CYS H 1 15 CYS HB3 . . 3.700 3.572 3.544 3.585 . 0 0 "[ . 1 . 2]" 1
358 1 15 CYS H 1 19 TYR QD . . 4.820 4.733 4.456 4.825 0.005 4 0 "[ . 1 . 2]" 1
359 1 15 CYS H 1 22 THR MG . . 4.360 4.359 4.307 4.391 0.031 9 0 "[ . 1 . 2]" 1
360 1 15 CYS HA 1 18 TYR QB . . 4.880 3.024 2.885 3.265 . 0 0 "[ . 1 . 2]" 1
361 1 15 CYS HA 1 19 TYR H . . 4.120 3.178 3.008 3.256 . 0 0 "[ . 1 . 2]" 1
362 1 15 CYS HA 1 19 TYR HB2 . . 5.180 4.046 3.577 4.157 . 0 0 "[ . 1 . 2]" 1
363 1 15 CYS HA 1 19 TYR HB3 . . 5.500 5.509 5.046 5.562 0.062 8 0 "[ . 1 . 2]" 1
364 1 15 CYS HA 1 19 TYR QD . . 3.050 2.041 1.987 2.120 . 0 0 "[ . 1 . 2]" 1
365 1 15 CYS HA 1 19 TYR QE . . 4.120 2.828 2.573 2.976 . 0 0 "[ . 1 . 2]" 1
366 1 15 CYS HA 1 20 GLY H . . 4.690 4.238 4.202 4.344 . 0 0 "[ . 1 . 2]" 1
367 1 15 CYS HA 1 22 THR MG . . 5.500 4.854 4.707 5.060 . 0 0 "[ . 1 . 2]" 1
368 1 15 CYS HA 1 25 VAL MG1 . . 4.870 3.250 3.042 3.787 . 0 0 "[ . 1 . 2]" 1
369 1 15 CYS HA 1 25 VAL MG2 . . 5.200 4.891 4.696 5.205 0.005 13 0 "[ . 1 . 2]" 1
370 1 15 CYS HA 1 29 VAL QG . . 5.440 4.460 4.152 4.859 . 0 0 "[ . 1 . 2]" 1
371 1 15 CYS HA 1 51 LEU QD . . 5.360 3.970 3.456 4.468 . 0 0 "[ . 1 . 2]" 1
372 1 15 CYS QB 1 16 VAL H . . 3.190 2.833 2.669 2.909 . 0 0 "[ . 1 . 2]" 1
373 1 15 CYS QB 1 16 VAL MG2 . . 4.520 3.019 2.938 3.076 . 0 0 "[ . 1 . 2]" 1
374 1 15 CYS QB 1 19 TYR QD . . 4.070 2.870 2.269 3.135 . 0 0 "[ . 1 . 2]" 1
375 1 15 CYS QB 1 21 ARG HA . . 5.250 4.882 4.717 5.077 . 0 0 "[ . 1 . 2]" 1
376 1 15 CYS QB 1 22 THR HA . . 3.550 2.842 2.767 3.119 . 0 0 "[ . 1 . 2]" 1
377 1 15 CYS QB 1 22 THR HB . . 4.820 4.595 4.454 4.764 . 0 0 "[ . 1 . 2]" 1
378 1 15 CYS QB 1 22 THR MG . . 3.270 2.324 2.222 2.479 . 0 0 "[ . 1 . 2]" 1
379 1 15 CYS QB 1 25 VAL HB . . 4.780 3.105 2.850 3.500 . 0 0 "[ . 1 . 2]" 1
380 1 15 CYS QB 1 25 VAL MG1 . . 4.020 2.632 2.331 2.926 . 0 0 "[ . 1 . 2]" 1
381 1 15 CYS QB 1 25 VAL MG2 . . 4.180 3.709 3.516 3.986 . 0 0 "[ . 1 . 2]" 1
382 1 15 CYS QB 1 26 VAL MG1 . . 4.520 3.372 2.592 3.572 . 0 0 "[ . 1 . 2]" 1
383 1 15 CYS HB2 1 16 VAL H . . 3.890 2.937 2.755 3.014 . 0 0 "[ . 1 . 2]" 1
384 1 15 CYS HB2 1 16 VAL MG2 . . 5.280 3.183 3.087 3.385 . 0 0 "[ . 1 . 2]" 1
385 1 15 CYS HB2 1 19 TYR QD . . 4.850 4.241 3.709 4.394 . 0 0 "[ . 1 . 2]" 1
386 1 15 CYS HB2 1 22 THR HA . . 4.080 3.677 3.429 4.088 0.008 13 0 "[ . 1 . 2]" 1
387 1 15 CYS HB2 1 22 THR HB . . 5.500 5.134 4.999 5.231 . 0 0 "[ . 1 . 2]" 1
388 1 15 CYS HB2 1 22 THR MG . . 3.930 2.466 2.369 2.634 . 0 0 "[ . 1 . 2]" 1
389 1 15 CYS HB2 1 25 VAL HB . . 5.500 4.565 4.259 4.932 . 0 0 "[ . 1 . 2]" 1
390 1 15 CYS HB3 1 16 VAL H . . 3.890 3.722 3.561 3.832 . 0 0 "[ . 1 . 2]" 1
391 1 15 CYS HB3 1 16 VAL MG2 . . 5.280 3.764 3.529 3.922 . 0 0 "[ . 1 . 2]" 1
392 1 15 CYS HB3 1 19 TYR QD . . 4.850 2.919 2.289 3.209 . 0 0 "[ . 1 . 2]" 1
393 1 15 CYS HB3 1 22 THR HA . . 4.080 2.961 2.861 3.235 . 0 0 "[ . 1 . 2]" 1
394 1 15 CYS HB3 1 22 THR HB . . 5.500 5.187 4.911 5.501 0.001 9 0 "[ . 1 . 2]" 1
395 1 15 CYS HB3 1 22 THR MG . . 3.930 2.856 2.512 3.187 . 0 0 "[ . 1 . 2]" 1
396 1 15 CYS HB3 1 25 VAL HB . . 5.500 3.160 2.895 3.581 . 0 0 "[ . 1 . 2]" 1
397 1 16 VAL H 1 16 VAL HB . . 3.010 2.485 2.455 2.522 . 0 0 "[ . 1 . 2]" 1
398 1 16 VAL H 1 16 VAL MG2 . . 3.030 2.344 2.189 2.480 . 0 0 "[ . 1 . 2]" 1
399 1 16 VAL H 1 17 ARG H . . 3.260 2.318 2.294 2.456 . 0 0 "[ . 1 . 2]" 1
400 1 16 VAL H 1 21 ARG H . . 4.760 4.607 4.467 4.784 0.024 9 0 "[ . 1 . 2]" 1
401 1 16 VAL H 1 22 THR MG . . 4.100 4.069 3.826 4.108 0.008 2 0 "[ . 1 . 2]" 1
402 1 16 VAL HA 1 16 VAL MG1 . . 3.310 2.335 2.286 2.394 . 0 0 "[ . 1 . 2]" 1
403 1 16 VAL HA 1 16 VAL MG2 . . 3.250 2.408 2.325 2.438 . 0 0 "[ . 1 . 2]" 1
404 1 16 VAL HA 1 17 ARG HA . . 5.260 4.675 4.668 4.742 . 0 0 "[ . 1 . 2]" 1
405 1 16 VAL HA 1 18 TYR H . . 4.690 3.903 3.727 4.128 . 0 0 "[ . 1 . 2]" 1
406 1 16 VAL HA 1 20 GLY H . . 3.430 2.347 2.121 2.447 . 0 0 "[ . 1 . 2]" 1
407 1 16 VAL HA 1 20 GLY HA2 . . 4.360 2.156 2.071 2.590 . 0 0 "[ . 1 . 2]" 1
408 1 16 VAL HA 1 20 GLY HA3 . . 4.760 3.692 3.589 3.966 . 0 0 "[ . 1 . 2]" 1
409 1 16 VAL HA 1 21 ARG H . . 3.260 2.517 2.351 2.696 . 0 0 "[ . 1 . 2]" 1
410 1 16 VAL HA 1 21 ARG HA . . 4.510 3.960 3.621 4.130 . 0 0 "[ . 1 . 2]" 1
411 1 16 VAL HA 1 22 THR MG . . 5.030 4.586 4.315 4.784 . 0 0 "[ . 1 . 2]" 1
412 1 16 VAL HB 1 20 GLY HA2 . . 5.500 4.511 4.331 4.849 . 0 0 "[ . 1 . 2]" 1
413 1 16 VAL MG1 1 17 ARG H . . 4.120 3.679 3.238 3.864 . 0 0 "[ . 1 . 2]" 1
414 1 16 VAL MG1 1 20 GLY H . . 4.510 3.967 3.774 4.058 . 0 0 "[ . 1 . 2]" 1
415 1 16 VAL MG1 1 20 GLY HA2 . . 4.500 2.351 2.135 2.644 . 0 0 "[ . 1 . 2]" 1
416 1 16 VAL MG1 1 20 GLY HA3 . . 4.620 3.765 3.573 4.046 . 0 0 "[ . 1 . 2]" 1
417 1 16 VAL MG1 1 21 ARG H . . 4.610 4.101 3.964 4.297 . 0 0 "[ . 1 . 2]" 1
418 1 16 VAL MG2 1 20 GLY HA3 . . 5.500 5.026 4.862 5.361 . 0 0 "[ . 1 . 2]" 1
419 1 16 VAL MG2 1 21 ARG H . . 4.200 3.550 3.403 3.744 . 0 0 "[ . 1 . 2]" 1
420 1 16 VAL MG2 1 21 ARG HA . . 3.700 3.168 2.869 3.438 . 0 0 "[ . 1 . 2]" 1
421 1 16 VAL MG2 1 21 ARG QD . . 5.340 5.225 4.777 5.370 0.030 3 0 "[ . 1 . 2]" 1
422 1 16 VAL MG2 1 22 THR H . . 4.140 4.130 3.953 4.187 0.047 18 0 "[ . 1 . 2]" 1
423 1 16 VAL MG2 1 22 THR HA . . 5.500 4.354 3.930 4.559 . 0 0 "[ . 1 . 2]" 1
424 1 16 VAL MG2 1 22 THR HB . . 5.500 5.018 4.514 5.184 . 0 0 "[ . 1 . 2]" 1
425 1 16 VAL MG2 1 22 THR MG . . 3.160 2.569 2.114 2.707 . 0 0 "[ . 1 . 2]" 1
426 1 17 ARG H 1 17 ARG QB . . 2.930 2.356 2.291 2.457 . 0 0 "[ . 1 . 2]" 1
427 1 17 ARG H 1 17 ARG QD . . 4.890 4.074 3.823 4.403 . 0 0 "[ . 1 . 2]" 1
428 1 17 ARG H 1 17 ARG HG2 . . 4.310 2.803 2.563 3.301 . 0 0 "[ . 1 . 2]" 1
429 1 17 ARG H 1 17 ARG QG . . 3.580 2.604 2.428 2.725 . 0 0 "[ . 1 . 2]" 1
430 1 17 ARG H 1 17 ARG HG3 . . 4.310 3.519 2.498 3.949 . 0 0 "[ . 1 . 2]" 1
431 1 17 ARG H 1 18 TYR H . . 3.210 2.352 2.310 2.598 . 0 0 "[ . 1 . 2]" 1
432 1 17 ARG H 1 18 TYR QB . . 5.220 4.122 4.048 4.313 . 0 0 "[ . 1 . 2]" 1
433 1 17 ARG H 1 18 TYR QD . . 4.860 4.079 3.584 4.360 . 0 0 "[ . 1 . 2]" 1
434 1 17 ARG HA 1 17 ARG HD2 . . 5.500 4.818 4.503 5.495 . 0 0 "[ . 1 . 2]" 1
435 1 17 ARG HA 1 17 ARG QD . . 4.770 4.240 3.486 4.583 . 0 0 "[ . 1 . 2]" 1
436 1 17 ARG HA 1 17 ARG HD3 . . 5.500 4.901 3.608 5.492 . 0 0 "[ . 1 . 2]" 1
437 1 17 ARG HA 1 17 ARG HG2 . . 4.250 3.448 2.339 4.135 . 0 0 "[ . 1 . 2]" 1
438 1 17 ARG HA 1 17 ARG HG3 . . 4.250 3.552 3.350 3.607 . 0 0 "[ . 1 . 2]" 1
439 1 17 ARG QB 1 17 ARG QD . . 3.290 2.188 1.923 2.449 . 0 0 "[ . 1 . 2]" 1
440 1 17 ARG QB 1 18 TYR H . . 3.890 3.514 2.876 3.770 . 0 0 "[ . 1 . 2]" 1
441 1 17 ARG QD 1 18 TYR QD . . 4.830 3.418 2.807 4.752 . 0 0 "[ . 1 . 2]" 1
442 1 17 ARG QD 1 18 TYR QE . . 4.580 3.325 2.463 4.597 0.017 1 0 "[ . 1 . 2]" 1
443 1 17 ARG HD2 1 18 TYR QD . . 5.500 4.286 3.020 5.496 . 0 0 "[ . 1 . 2]" 1
444 1 17 ARG HD2 1 18 TYR QE . . 5.420 4.424 2.668 5.433 0.013 16 0 "[ . 1 . 2]" 1
445 1 17 ARG HD3 1 18 TYR QD . . 5.500 3.775 2.855 5.451 . 0 0 "[ . 1 . 2]" 1
446 1 17 ARG HD3 1 18 TYR QE . . 5.420 3.711 2.482 5.429 0.009 1 0 "[ . 1 . 2]" 1
447 1 17 ARG QG 1 18 TYR H . . 4.320 3.128 2.566 4.247 . 0 0 "[ . 1 . 2]" 1
448 1 17 ARG QG 1 18 TYR QD . . 4.770 2.567 1.909 4.450 . 0 0 "[ . 1 . 2]" 1
449 1 17 ARG HG2 1 18 TYR QD . . 5.500 2.931 1.997 5.462 . 0 0 "[ . 1 . 2]" 1
450 1 17 ARG HG3 1 18 TYR QD . . 5.500 3.053 2.127 4.715 . 0 0 "[ . 1 . 2]" 1
451 1 18 TYR H 1 18 TYR QB . . 3.110 2.303 2.281 2.356 . 0 0 "[ . 1 . 2]" 1
452 1 18 TYR H 1 18 TYR QD . . 3.540 3.156 2.615 3.363 . 0 0 "[ . 1 . 2]" 1
453 1 18 TYR H 1 18 TYR QE . . 5.500 5.357 4.939 5.519 0.019 12 0 "[ . 1 . 2]" 1
454 1 18 TYR H 1 19 TYR H . . 3.200 2.416 2.358 2.434 . 0 0 "[ . 1 . 2]" 1
455 1 18 TYR H 1 19 TYR HB2 . . 5.350 4.872 4.627 4.952 . 0 0 "[ . 1 . 2]" 1
456 1 18 TYR H 1 19 TYR QD . . 4.530 4.216 3.996 4.567 0.037 13 0 "[ . 1 . 2]" 1
457 1 18 TYR H 1 51 LEU QD . . 5.440 4.984 4.583 5.404 . 0 0 "[ . 1 . 2]" 1
458 1 18 TYR HA 1 18 TYR QD . . 3.680 3.002 2.935 3.077 . 0 0 "[ . 1 . 2]" 1
459 1 18 TYR HA 1 18 TYR QE . . 5.090 4.500 4.459 4.583 . 0 0 "[ . 1 . 2]" 1
460 1 18 TYR HA 1 51 LEU QD . . 5.320 4.989 4.421 5.306 . 0 0 "[ . 1 . 2]" 1
461 1 18 TYR HA 1 54 VAL QG . . 5.440 4.923 4.619 5.438 . 0 0 "[ . 1 . 2]" 1
462 1 18 TYR QB 1 19 TYR H . . 3.600 2.310 2.229 2.382 . 0 0 "[ . 1 . 2]" 1
463 1 18 TYR QB 1 19 TYR QD . . 4.800 3.174 2.965 3.574 . 0 0 "[ . 1 . 2]" 1
464 1 18 TYR QB 1 51 LEU MD1 . . 4.610 3.709 2.925 4.647 0.037 15 0 "[ . 1 . 2]" 1
465 1 18 TYR QB 1 51 LEU QD . . 3.780 3.113 2.494 3.541 . 0 0 "[ . 1 . 2]" 1
466 1 18 TYR QB 1 51 LEU MD2 . . 4.610 3.633 2.504 4.639 0.029 3 0 "[ . 1 . 2]" 1
467 1 18 TYR QB 1 54 VAL QG . . 4.840 3.343 3.033 3.736 . 0 0 "[ . 1 . 2]" 1
468 1 18 TYR QD 1 51 LEU QD . . 4.240 2.945 2.499 3.369 . 0 0 "[ . 1 . 2]" 1
469 1 18 TYR QE 1 51 LEU MD1 . . 4.910 2.973 2.357 4.231 . 0 0 "[ . 1 . 2]" 1
470 1 18 TYR QE 1 51 LEU QD . . 4.190 2.727 2.337 3.441 . 0 0 "[ . 1 . 2]" 1
471 1 18 TYR QE 1 51 LEU MD2 . . 4.910 3.980 2.665 4.881 . 0 0 "[ . 1 . 2]" 1
472 1 19 TYR H 1 19 TYR HB2 . . 3.450 2.700 2.618 2.756 . 0 0 "[ . 1 . 2]" 1
473 1 19 TYR H 1 19 TYR QD . . 3.480 2.508 2.304 2.941 . 0 0 "[ . 1 . 2]" 1
474 1 19 TYR H 1 19 TYR QE . . 4.490 4.133 4.037 4.292 . 0 0 "[ . 1 . 2]" 1
475 1 19 TYR H 1 20 GLY H . . 2.940 2.266 2.132 2.499 . 0 0 "[ . 1 . 2]" 1
476 1 19 TYR H 1 20 GLY HA2 . . 4.940 4.527 4.382 4.774 . 0 0 "[ . 1 . 2]" 1
477 1 19 TYR H 1 21 ARG H . . 4.160 3.922 3.837 4.098 . 0 0 "[ . 1 . 2]" 1
478 1 19 TYR H 1 25 VAL MG1 . . 5.500 4.449 4.241 4.765 . 0 0 "[ . 1 . 2]" 1
479 1 19 TYR HA 1 19 TYR QD . . 3.810 2.860 2.428 3.003 . 0 0 "[ . 1 . 2]" 1
480 1 19 TYR HA 1 21 ARG HD2 . . 5.500 4.774 3.889 5.101 . 0 0 "[ . 1 . 2]" 1
481 1 19 TYR HA 1 21 ARG QD . . 4.760 3.673 3.528 4.054 . 0 0 "[ . 1 . 2]" 1
482 1 19 TYR HA 1 21 ARG HD3 . . 5.500 3.969 3.626 5.564 0.064 13 0 "[ . 1 . 2]" 1
483 1 19 TYR HB2 1 20 GLY H . . 3.920 2.747 2.729 2.775 . 0 0 "[ . 1 . 2]" 1
484 1 19 TYR HB2 1 21 ARG H . . 3.520 2.644 2.440 2.757 . 0 0 "[ . 1 . 2]" 1
485 1 19 TYR HB2 1 21 ARG QG . . 5.100 3.277 2.993 4.462 . 0 0 "[ . 1 . 2]" 1
486 1 19 TYR HB2 1 25 VAL HB . . 5.500 4.577 4.429 4.664 . 0 0 "[ . 1 . 2]" 1
487 1 19 TYR HB2 1 25 VAL MG1 . . 4.000 3.282 2.797 3.424 . 0 0 "[ . 1 . 2]" 1
488 1 19 TYR HB2 1 25 VAL MG2 . . 3.900 2.733 2.542 3.043 . 0 0 "[ . 1 . 2]" 1
489 1 19 TYR HB3 1 20 GLY H . . 4.480 3.965 3.924 4.010 . 0 0 "[ . 1 . 2]" 1
490 1 19 TYR HB3 1 21 ARG QG . . 5.200 3.717 3.468 4.771 . 0 0 "[ . 1 . 2]" 1
491 1 19 TYR HB3 1 25 VAL MG1 . . 4.550 3.747 3.299 3.952 . 0 0 "[ . 1 . 2]" 1
492 1 19 TYR HB3 1 25 VAL MG2 . . 4.440 3.031 2.689 3.481 . 0 0 "[ . 1 . 2]" 1
493 1 19 TYR QD 1 20 GLY H . . 4.390 3.688 3.538 4.149 . 0 0 "[ . 1 . 2]" 1
494 1 19 TYR QD 1 21 ARG H . . 4.450 3.971 3.793 4.163 . 0 0 "[ . 1 . 2]" 1
495 1 19 TYR QD 1 25 VAL MG1 . . 3.860 2.328 2.182 2.577 . 0 0 "[ . 1 . 2]" 1
496 1 19 TYR QD 1 25 VAL MG2 . . 4.230 3.314 3.121 3.716 . 0 0 "[ . 1 . 2]" 1
497 1 19 TYR QD 1 51 LEU QD . . 5.270 4.450 3.931 4.988 . 0 0 "[ . 1 . 2]" 1
498 1 19 TYR QD 1 54 VAL QG . . 4.530 3.839 3.518 4.022 . 0 0 "[ . 1 . 2]" 1
499 1 19 TYR QE 1 25 VAL MG1 . . 4.240 2.618 2.463 2.881 . 0 0 "[ . 1 . 2]" 1
500 1 19 TYR QE 1 25 VAL MG2 . . 5.050 4.392 4.241 4.902 . 0 0 "[ . 1 . 2]" 1
501 1 19 TYR QE 1 51 LEU HB2 . . 5.350 5.349 5.234 5.368 0.018 17 0 "[ . 1 . 2]" 1
502 1 19 TYR QE 1 51 LEU HB3 . . 5.020 3.917 3.811 4.028 . 0 0 "[ . 1 . 2]" 1
503 1 19 TYR QE 1 51 LEU QD . . 3.490 2.995 2.273 3.496 0.006 6 0 "[ . 1 . 2]" 1
504 1 19 TYR QE 1 52 PRO QD . . 5.290 4.404 4.018 4.705 . 0 0 "[ . 1 . 2]" 1
505 1 19 TYR QE 1 54 VAL H . . 4.980 4.798 4.562 4.987 0.007 5 0 "[ . 1 . 2]" 1
506 1 19 TYR QE 1 54 VAL HA . . 5.050 3.514 3.200 3.941 . 0 0 "[ . 1 . 2]" 1
507 1 19 TYR QE 1 54 VAL HB . . 5.040 4.947 4.591 5.051 0.011 2 0 "[ . 1 . 2]" 1
508 1 19 TYR QE 1 54 VAL QG . . 3.830 2.262 1.928 2.536 . 0 0 "[ . 1 . 2]" 1
509 1 20 GLY H 1 21 ARG H . . 3.400 2.254 2.229 2.382 . 0 0 "[ . 1 . 2]" 1
510 1 20 GLY H 1 21 ARG QD . . 4.730 3.465 3.266 3.672 . 0 0 "[ . 1 . 2]" 1
511 1 21 ARG H 1 21 ARG QB . . 3.690 3.243 2.879 3.384 . 0 0 "[ . 1 . 2]" 1
512 1 21 ARG H 1 21 ARG QD . . 3.590 2.521 2.052 2.772 . 0 0 "[ . 1 . 2]" 1
513 1 21 ARG H 1 21 ARG QG . . 3.480 2.992 2.849 3.554 0.074 2 0 "[ . 1 . 2]" 1
514 1 21 ARG H 1 22 THR H . . 4.380 4.348 4.325 4.420 0.040 9 0 "[ . 1 . 2]" 1
515 1 21 ARG H 1 25 VAL MG2 . . 4.730 3.810 3.451 4.024 . 0 0 "[ . 1 . 2]" 1
516 1 21 ARG HA 1 21 ARG HD2 . . 5.500 4.046 3.798 4.195 . 0 0 "[ . 1 . 2]" 1
517 1 21 ARG HA 1 21 ARG HD3 . . 5.500 4.419 3.934 5.161 . 0 0 "[ . 1 . 2]" 1
518 1 21 ARG HA 1 22 THR H . . 3.060 2.391 2.337 2.537 . 0 0 "[ . 1 . 2]" 1
519 1 21 ARG HA 1 23 GLU H . . 4.200 4.092 4.003 4.225 0.025 9 0 "[ . 1 . 2]" 1
520 1 21 ARG QB 1 21 ARG QD . . 3.110 2.117 1.979 2.785 . 0 0 "[ . 1 . 2]" 1
521 1 21 ARG QB 1 22 THR H . . 3.160 2.459 2.145 2.666 . 0 0 "[ . 1 . 2]" 1
522 1 21 ARG QB 1 23 GLU H . . 3.650 2.972 2.244 3.393 . 0 0 "[ . 1 . 2]" 1
523 1 21 ARG QB 1 25 VAL MG2 . . 5.340 3.480 1.859 3.751 . 0 0 "[ . 1 . 2]" 1
524 1 21 ARG HB2 1 21 ARG HD2 . . 4.200 3.404 2.753 3.798 . 0 0 "[ . 1 . 2]" 1
525 1 21 ARG HB2 1 21 ARG HD3 . . 4.200 3.850 2.255 4.230 0.030 2 0 "[ . 1 . 2]" 1
526 1 21 ARG HB3 1 21 ARG HD2 . . 4.200 2.342 2.022 3.839 . 0 0 "[ . 1 . 2]" 1
527 1 21 ARG HB3 1 21 ARG HD3 . . 4.200 3.234 3.066 3.681 . 0 0 "[ . 1 . 2]" 1
528 1 21 ARG HD2 1 22 THR H . . 5.500 5.352 4.583 5.565 0.065 18 0 "[ . 1 . 2]" 1
529 1 21 ARG HD2 1 25 VAL MG2 . . 5.030 3.823 2.283 4.254 . 0 0 "[ . 1 . 2]" 1
530 1 21 ARG HD3 1 22 THR H . . 5.500 5.423 3.538 5.549 0.049 14 0 "[ . 1 . 2]" 1
531 1 21 ARG HD3 1 25 VAL MG2 . . 5.030 2.923 1.996 3.241 . 0 0 "[ . 1 . 2]" 1
532 1 21 ARG QG 1 22 THR H . . 4.110 3.568 3.048 4.145 0.035 13 0 "[ . 1 . 2]" 1
533 1 21 ARG HG2 1 25 VAL MG2 . . 4.280 2.122 1.884 3.927 . 0 0 "[ . 1 . 2]" 1
534 1 21 ARG HG3 1 25 VAL MG2 . . 4.280 2.864 2.498 4.312 0.032 9 0 "[ . 1 . 2]" 1
535 1 22 THR H 1 22 THR HB . . 3.840 3.618 3.534 3.675 . 0 0 "[ . 1 . 2]" 1
536 1 22 THR H 1 22 THR MG . . 3.520 3.316 3.079 3.477 . 0 0 "[ . 1 . 2]" 1
537 1 22 THR H 1 23 GLU H . . 3.210 1.912 1.884 1.967 . 0 0 "[ . 1 . 2]" 1
538 1 22 THR H 1 23 GLU QB . . 4.690 3.795 3.550 4.340 . 0 0 "[ . 1 . 2]" 1
539 1 22 THR HA 1 22 THR MG . . 3.070 2.102 1.992 2.283 . 0 0 "[ . 1 . 2]" 1
540 1 22 THR HA 1 25 VAL HB . . 3.770 2.585 2.243 2.788 . 0 0 "[ . 1 . 2]" 1
541 1 22 THR HA 1 25 VAL MG1 . . 4.650 3.866 3.445 4.052 . 0 0 "[ . 1 . 2]" 1
542 1 22 THR HA 1 25 VAL MG2 . . 3.960 3.429 3.218 3.551 . 0 0 "[ . 1 . 2]" 1
543 1 22 THR HA 1 26 VAL H . . 4.050 3.177 2.904 3.335 . 0 0 "[ . 1 . 2]" 1
544 1 22 THR HA 1 26 VAL HB . . 5.500 5.398 5.087 5.503 0.003 1 0 "[ . 1 . 2]" 1
545 1 22 THR HA 1 26 VAL MG1 . . 3.910 2.363 2.110 2.509 . 0 0 "[ . 1 . 2]" 1
546 1 22 THR HA 1 26 VAL MG2 . . 4.400 4.057 3.615 4.217 . 0 0 "[ . 1 . 2]" 1
547 1 22 THR HB 1 23 GLU QB . . 5.500 4.835 4.638 5.160 . 0 0 "[ . 1 . 2]" 1
548 1 22 THR HB 1 25 VAL HB . . 5.190 4.880 4.465 5.184 . 0 0 "[ . 1 . 2]" 1
549 1 22 THR HB 1 25 VAL MG2 . . 5.500 5.390 5.124 5.497 . 0 0 "[ . 1 . 2]" 1
550 1 22 THR HB 1 26 VAL H . . 4.480 4.063 3.629 4.488 0.008 9 0 "[ . 1 . 2]" 1
551 1 22 THR HB 1 26 VAL HB . . 5.500 4.717 4.405 5.305 . 0 0 "[ . 1 . 2]" 1
552 1 22 THR HB 1 26 VAL MG1 . . 3.250 2.083 1.881 2.774 . 0 0 "[ . 1 . 2]" 1
553 1 22 THR HB 1 26 VAL MG2 . . 3.640 3.233 2.876 3.480 . 0 0 "[ . 1 . 2]" 1
554 1 22 THR MG 1 23 GLU H . . 5.500 4.241 4.172 4.408 . 0 0 "[ . 1 . 2]" 1
555 1 22 THR MG 1 25 VAL MG1 . . 5.310 4.450 4.083 4.638 . 0 0 "[ . 1 . 2]" 1
556 1 22 THR MG 1 25 VAL MG2 . . 4.660 4.622 4.428 4.670 0.010 1 0 "[ . 1 . 2]" 1
557 1 22 THR MG 1 26 VAL HB . . 4.730 4.522 4.301 4.726 . 0 0 "[ . 1 . 2]" 1
558 1 22 THR MG 1 26 VAL MG2 . . 4.090 3.993 3.688 4.093 0.003 18 0 "[ . 1 . 2]" 1
559 1 23 GLU H 1 23 GLU QB . . 3.470 2.297 2.136 2.690 . 0 0 "[ . 1 . 2]" 1
560 1 23 GLU H 1 23 GLU QG . . 4.310 3.693 1.903 4.067 . 0 0 "[ . 1 . 2]" 1
561 1 23 GLU HA 1 23 GLU QG . . 3.780 2.668 2.219 3.351 . 0 0 "[ . 1 . 2]" 1
562 1 23 GLU HA 1 24 GLY H . . 3.550 2.149 2.142 2.150 . 0 0 "[ . 1 . 2]" 1
563 1 23 GLU HA 1 25 VAL H . . 3.870 3.637 3.524 3.874 0.004 9 0 "[ . 1 . 2]" 1
564 1 23 GLU HA 1 25 VAL MG2 . . 5.500 4.868 4.594 4.987 . 0 0 "[ . 1 . 2]" 1
565 1 23 GLU HA 1 26 VAL H . . 4.980 4.360 4.240 4.661 . 0 0 "[ . 1 . 2]" 1
566 1 23 GLU HA 1 26 VAL MG2 . . 4.040 3.364 3.201 3.804 . 0 0 "[ . 1 . 2]" 1
567 1 23 GLU HA 1 27 GLU H . . 5.500 5.409 5.112 5.509 0.009 2 0 "[ . 1 . 2]" 1
568 1 23 GLU QB 1 25 VAL H . . 4.710 4.578 4.466 4.673 . 0 0 "[ . 1 . 2]" 1
569 1 23 GLU QB 1 25 VAL MG2 . . 5.500 4.663 4.261 5.150 . 0 0 "[ . 1 . 2]" 1
570 1 23 GLU QG 1 24 GLY HA2 . . 5.500 4.404 3.936 5.525 0.025 6 0 "[ . 1 . 2]" 1
571 1 23 GLU QG 1 24 GLY HA3 . . 5.500 3.997 3.622 5.005 . 0 0 "[ . 1 . 2]" 1
572 1 24 GLY H 1 25 VAL H . . 4.000 2.689 2.589 2.997 . 0 0 "[ . 1 . 2]" 1
573 1 24 GLY HA2 1 25 VAL HA . . 5.090 4.616 4.567 4.730 . 0 0 "[ . 1 . 2]" 1
574 1 24 GLY HA2 1 25 VAL MG2 . . 5.200 4.655 4.591 4.820 . 0 0 "[ . 1 . 2]" 1
575 1 24 GLY HA2 1 27 GLU H . . 4.490 4.082 3.839 4.194 . 0 0 "[ . 1 . 2]" 1
576 1 24 GLY HA2 1 27 GLU QG . . 5.340 4.056 3.278 5.037 . 0 0 "[ . 1 . 2]" 1
577 1 24 GLY HA2 1 28 THR H . . 5.500 5.154 4.744 5.352 . 0 0 "[ . 1 . 2]" 1
578 1 25 VAL H 1 25 VAL HB . . 3.280 2.623 2.597 2.642 . 0 0 "[ . 1 . 2]" 1
579 1 25 VAL H 1 25 VAL MG1 . . 4.010 3.821 3.773 3.837 . 0 0 "[ . 1 . 2]" 1
580 1 25 VAL H 1 25 VAL MG2 . . 3.300 2.364 2.062 2.517 . 0 0 "[ . 1 . 2]" 1
581 1 25 VAL H 1 26 VAL H . . 2.740 2.293 2.186 2.698 . 0 0 "[ . 1 . 2]" 1
582 1 25 VAL H 1 26 VAL MG2 . . 4.380 3.312 3.124 3.645 . 0 0 "[ . 1 . 2]" 1
583 1 25 VAL H 1 27 GLU H . . 4.480 3.708 3.551 3.847 . 0 0 "[ . 1 . 2]" 1
584 1 25 VAL H 1 28 THR H . . 4.860 4.820 4.715 4.870 0.010 9 0 "[ . 1 . 2]" 1
585 1 25 VAL HA 1 25 VAL MG1 . . 3.620 2.329 2.229 2.377 . 0 0 "[ . 1 . 2]" 1
586 1 25 VAL HA 1 25 VAL MG2 . . 3.620 2.396 2.361 2.454 . 0 0 "[ . 1 . 2]" 1
587 1 25 VAL HA 1 26 VAL HA . . 5.500 4.851 4.832 4.872 . 0 0 "[ . 1 . 2]" 1
588 1 25 VAL HA 1 26 VAL MG1 . . 5.090 5.059 4.970 5.096 0.006 11 0 "[ . 1 . 2]" 1
589 1 25 VAL HA 1 28 THR HB . . 4.020 3.616 3.284 3.992 . 0 0 "[ . 1 . 2]" 1
590 1 25 VAL HA 1 28 THR MG . . 4.920 4.345 4.059 4.725 . 0 0 "[ . 1 . 2]" 1
591 1 25 VAL HA 1 29 VAL QG . . 5.310 4.436 3.984 4.941 . 0 0 "[ . 1 . 2]" 1
592 1 25 VAL HB 1 26 VAL H . . 3.430 2.490 2.208 2.615 . 0 0 "[ . 1 . 2]" 1
593 1 25 VAL HB 1 26 VAL MG1 . . 5.370 3.228 3.024 3.332 . 0 0 "[ . 1 . 2]" 1
594 1 25 VAL HB 1 26 VAL MG2 . . 4.660 4.266 4.058 4.434 . 0 0 "[ . 1 . 2]" 1
595 1 25 VAL HB 1 28 THR H . . 5.500 5.279 5.185 5.502 0.002 16 0 "[ . 1 . 2]" 1
596 1 25 VAL MG1 1 26 VAL H . . 4.180 3.573 3.382 3.675 . 0 0 "[ . 1 . 2]" 1
597 1 25 VAL MG1 1 26 VAL HA . . 4.480 3.775 3.636 3.878 . 0 0 "[ . 1 . 2]" 1
598 1 25 VAL MG1 1 26 VAL MG1 . . 4.970 3.943 3.671 4.076 . 0 0 "[ . 1 . 2]" 1
599 1 25 VAL MG1 1 28 THR HB . . 4.560 3.331 3.040 3.790 . 0 0 "[ . 1 . 2]" 1
600 1 25 VAL MG1 1 29 VAL H . . 5.150 3.567 3.353 4.262 . 0 0 "[ . 1 . 2]" 1
601 1 25 VAL MG1 1 29 VAL HB . . 5.390 4.570 4.325 5.390 0.000 9 0 "[ . 1 . 2]" 1
602 1 25 VAL MG1 1 29 VAL QG . . 3.530 2.653 2.280 3.443 . 0 0 "[ . 1 . 2]" 1
603 1 25 VAL MG1 1 54 VAL QG . . 4.770 4.740 4.653 4.802 0.032 9 0 "[ . 1 . 2]" 1
604 1 25 VAL MG2 1 26 VAL H . . 3.750 3.654 3.532 3.693 . 0 0 "[ . 1 . 2]" 1
605 1 25 VAL MG2 1 26 VAL MG1 . . 4.400 4.361 4.237 4.405 0.005 16 0 "[ . 1 . 2]" 1
606 1 25 VAL MG2 1 28 THR HB . . 5.500 5.199 4.919 5.489 . 0 0 "[ . 1 . 2]" 1
607 1 26 VAL H 1 26 VAL HB . . 3.680 3.615 3.613 3.617 . 0 0 "[ . 1 . 2]" 1
608 1 26 VAL H 1 26 VAL MG1 . . 3.290 2.100 1.957 2.180 . 0 0 "[ . 1 . 2]" 1
609 1 26 VAL H 1 26 VAL MG2 . . 3.420 2.096 1.992 2.235 . 0 0 "[ . 1 . 2]" 1
610 1 26 VAL H 1 27 GLU H . . 3.470 2.752 2.713 2.800 . 0 0 "[ . 1 . 2]" 1
611 1 26 VAL H 1 27 GLU QB . . 4.790 4.634 4.464 4.792 0.002 11 0 "[ . 1 . 2]" 1
612 1 26 VAL HA 1 26 VAL MG1 . . 3.240 2.375 2.303 2.418 . 0 0 "[ . 1 . 2]" 1
613 1 26 VAL HA 1 26 VAL MG2 . . 3.490 3.194 3.184 3.201 . 0 0 "[ . 1 . 2]" 1
614 1 26 VAL HA 1 28 THR H . . 4.630 4.134 3.944 4.337 . 0 0 "[ . 1 . 2]" 1
615 1 26 VAL HA 1 28 THR HB . . 5.500 5.322 4.971 5.498 . 0 0 "[ . 1 . 2]" 1
616 1 26 VAL HA 1 29 VAL H . . 4.070 3.812 3.465 4.023 . 0 0 "[ . 1 . 2]" 1
617 1 26 VAL HA 1 30 LEU H . . 4.460 4.096 3.736 4.461 0.001 12 0 "[ . 1 . 2]" 1
618 1 26 VAL HA 1 30 LEU QD . . 5.020 4.292 3.175 5.020 . 0 0 "[ . 1 . 2]" 1
619 1 26 VAL MG1 1 27 GLU H . . 4.120 3.978 3.896 4.043 . 0 0 "[ . 1 . 2]" 1
620 1 26 VAL MG2 1 27 GLU H . . 3.430 2.103 1.957 2.361 . 0 0 "[ . 1 . 2]" 1
621 1 26 VAL MG2 1 27 GLU HA . . 4.320 3.376 3.206 3.552 . 0 0 "[ . 1 . 2]" 1
622 1 26 VAL MG2 1 27 GLU QB . . 4.640 3.460 3.021 3.710 . 0 0 "[ . 1 . 2]" 1
623 1 26 VAL MG2 1 27 GLU HG2 . . 5.170 3.261 2.181 4.744 . 0 0 "[ . 1 . 2]" 1
624 1 26 VAL MG2 1 27 GLU QG . . 4.300 2.728 2.162 3.896 . 0 0 "[ . 1 . 2]" 1
625 1 26 VAL MG2 1 27 GLU HG3 . . 5.170 3.481 2.221 4.605 . 0 0 "[ . 1 . 2]" 1
626 1 26 VAL MG2 1 28 THR H . . 4.980 4.232 4.130 4.370 . 0 0 "[ . 1 . 2]" 1
627 1 26 VAL MG2 1 30 LEU H . . 5.500 5.242 5.030 5.469 . 0 0 "[ . 1 . 2]" 1
628 1 27 GLU H 1 27 GLU QB . . 3.010 2.253 2.068 2.427 . 0 0 "[ . 1 . 2]" 1
629 1 27 GLU H 1 27 GLU QG . . 3.740 2.791 2.213 3.728 . 0 0 "[ . 1 . 2]" 1
630 1 27 GLU H 1 28 THR H . . 3.180 2.539 2.394 2.740 . 0 0 "[ . 1 . 2]" 1
631 1 27 GLU H 1 28 THR HB . . 5.500 5.198 4.941 5.446 . 0 0 "[ . 1 . 2]" 1
632 1 27 GLU H 1 30 LEU QD . . 4.960 4.478 4.164 4.960 0.000 18 0 "[ . 1 . 2]" 1
633 1 27 GLU HA 1 27 GLU HG2 . . 3.970 2.576 2.097 3.001 . 0 0 "[ . 1 . 2]" 1
634 1 27 GLU HA 1 27 GLU HG3 . . 3.970 3.311 2.667 3.762 . 0 0 "[ . 1 . 2]" 1
635 1 27 GLU HA 1 30 LEU HB2 . . 4.170 2.854 2.422 4.085 . 0 0 "[ . 1 . 2]" 1
636 1 27 GLU HA 1 30 LEU QB . . 3.340 2.602 2.396 2.792 . 0 0 "[ . 1 . 2]" 1
637 1 27 GLU HA 1 30 LEU HB3 . . 4.170 3.588 2.465 4.143 . 0 0 "[ . 1 . 2]" 1
638 1 27 GLU HA 1 30 LEU QD . . 3.210 2.788 2.327 3.197 . 0 0 "[ . 1 . 2]" 1
639 1 27 GLU QB 1 28 THR H . . 3.430 2.804 2.571 2.950 . 0 0 "[ . 1 . 2]" 1
640 1 27 GLU QB 1 30 LEU QD . . 4.600 4.357 3.959 4.604 0.004 16 0 "[ . 1 . 2]" 1
641 1 27 GLU QB 1 31 ALA H . . 5.210 5.054 4.754 5.216 0.006 2 0 "[ . 1 . 2]" 1
642 1 27 GLU QG 1 30 LEU QD . . 4.640 3.774 2.992 4.421 . 0 0 "[ . 1 . 2]" 1
643 1 27 GLU HG2 1 28 THR H . . 5.500 4.869 4.420 5.245 . 0 0 "[ . 1 . 2]" 1
644 1 27 GLU HG3 1 28 THR H . . 5.500 4.977 4.425 5.326 . 0 0 "[ . 1 . 2]" 1
645 1 28 THR H 1 28 THR HB . . 3.100 2.861 2.661 2.998 . 0 0 "[ . 1 . 2]" 1
646 1 28 THR H 1 28 THR MG . . 4.070 3.709 3.645 3.785 . 0 0 "[ . 1 . 2]" 1
647 1 28 THR H 1 29 VAL H . . 3.050 2.805 2.669 2.949 . 0 0 "[ . 1 . 2]" 1
648 1 28 THR H 1 29 VAL HA . . 5.500 5.350 5.253 5.474 . 0 0 "[ . 1 . 2]" 1
649 1 28 THR H 1 29 VAL QG . . 4.500 4.128 3.931 4.304 . 0 0 "[ . 1 . 2]" 1
650 1 28 THR H 1 30 LEU H . . 4.270 3.892 3.744 4.163 . 0 0 "[ . 1 . 2]" 1
651 1 28 THR H 1 30 LEU QD . . 5.440 5.110 4.693 5.443 0.003 18 0 "[ . 1 . 2]" 1
652 1 28 THR H 1 31 ALA H . . 5.030 4.794 4.540 4.978 . 0 0 "[ . 1 . 2]" 1
653 1 28 THR H 1 31 ALA MB . . 5.500 4.974 4.610 5.222 . 0 0 "[ . 1 . 2]" 1
654 1 28 THR HA 1 28 THR MG . . 3.110 2.168 2.015 2.340 . 0 0 "[ . 1 . 2]" 1
655 1 28 THR HA 1 29 VAL HA . . 5.500 4.806 4.766 4.835 . 0 0 "[ . 1 . 2]" 1
656 1 28 THR HA 1 29 VAL QG . . 5.440 4.734 4.685 4.795 . 0 0 "[ . 1 . 2]" 1
657 1 28 THR HA 1 31 ALA MB . . 3.300 3.002 2.588 3.255 . 0 0 "[ . 1 . 2]" 1
658 1 28 THR HA 1 52 PRO QG . . 4.970 4.242 3.919 4.705 . 0 0 "[ . 1 . 2]" 1
659 1 28 THR HB 1 29 VAL H . . 3.220 2.135 2.044 2.497 . 0 0 "[ . 1 . 2]" 1
660 1 28 THR HB 1 29 VAL QG . . 4.380 2.901 2.779 3.074 . 0 0 "[ . 1 . 2]" 1
661 1 28 THR HB 1 30 LEU H . . 5.030 4.641 4.461 4.894 . 0 0 "[ . 1 . 2]" 1
662 1 28 THR HB 1 31 ALA MB . . 5.500 5.240 4.861 5.437 . 0 0 "[ . 1 . 2]" 1
663 1 28 THR HB 1 32 ALA MB . . 5.500 5.109 4.709 5.411 . 0 0 "[ . 1 . 2]" 1
664 1 28 THR HB 1 52 PRO HB2 . . 5.500 4.429 4.130 4.631 . 0 0 "[ . 1 . 2]" 1
665 1 28 THR HB 1 52 PRO HB3 . . 5.500 5.439 5.180 5.504 0.004 1 0 "[ . 1 . 2]" 1
666 1 28 THR HB 1 52 PRO QD . . 4.680 4.234 3.978 4.683 0.003 13 0 "[ . 1 . 2]" 1
667 1 28 THR HB 1 52 PRO QG . . 4.900 2.745 2.567 3.056 . 0 0 "[ . 1 . 2]" 1
668 1 28 THR MG 1 29 VAL HA . . 4.420 4.003 3.642 4.324 . 0 0 "[ . 1 . 2]" 1
669 1 28 THR MG 1 31 ALA H . . 5.500 4.729 4.488 5.043 . 0 0 "[ . 1 . 2]" 1
670 1 28 THR MG 1 31 ALA MB . . 4.740 3.756 3.475 4.008 . 0 0 "[ . 1 . 2]" 1
671 1 28 THR MG 1 32 ALA MB . . 5.070 3.953 3.568 4.309 . 0 0 "[ . 1 . 2]" 1
672 1 28 THR MG 1 52 PRO HA . . 5.500 4.758 4.351 4.969 . 0 0 "[ . 1 . 2]" 1
673 1 28 THR MG 1 52 PRO HB2 . . 4.380 2.529 2.147 2.773 . 0 0 "[ . 1 . 2]" 1
674 1 28 THR MG 1 52 PRO QB . . 3.710 2.478 2.127 2.712 . 0 0 "[ . 1 . 2]" 1
675 1 28 THR MG 1 52 PRO HB3 . . 4.380 3.599 3.262 3.860 . 0 0 "[ . 1 . 2]" 1
676 1 28 THR MG 1 52 PRO QD . . 4.030 3.949 3.797 4.033 0.003 1 0 "[ . 1 . 2]" 1
677 1 28 THR MG 1 52 PRO QG . . 3.300 2.189 2.034 2.334 . 0 0 "[ . 1 . 2]" 1
678 1 29 VAL H 1 29 VAL HB . . 2.950 2.663 2.590 2.686 . 0 0 "[ . 1 . 2]" 1
679 1 29 VAL H 1 29 VAL MG1 . . 3.850 3.759 3.756 3.765 . 0 0 "[ . 1 . 2]" 1
680 1 29 VAL H 1 29 VAL QG . . 2.840 2.086 1.971 2.179 . 0 0 "[ . 1 . 2]" 1
681 1 29 VAL H 1 29 VAL MG2 . . 3.850 2.097 1.978 2.194 . 0 0 "[ . 1 . 2]" 1
682 1 29 VAL H 1 30 LEU H . . 3.190 2.779 2.639 2.840 . 0 0 "[ . 1 . 2]" 1
683 1 29 VAL H 1 31 ALA H . . 4.520 4.374 4.085 4.515 . 0 0 "[ . 1 . 2]" 1
684 1 29 VAL H 1 32 ALA H . . 5.050 4.897 4.768 4.984 . 0 0 "[ . 1 . 2]" 1
685 1 29 VAL H 1 32 ALA MB . . 4.750 4.718 4.422 4.762 0.012 9 0 "[ . 1 . 2]" 1
686 1 29 VAL H 1 52 PRO QG . . 4.580 3.447 3.172 3.931 . 0 0 "[ . 1 . 2]" 1
687 1 29 VAL HA 1 29 VAL MG1 . . 3.270 2.265 2.231 2.323 . 0 0 "[ . 1 . 2]" 1
688 1 29 VAL HA 1 29 VAL MG2 . . 3.270 2.368 2.313 2.407 . 0 0 "[ . 1 . 2]" 1
689 1 29 VAL HA 1 30 LEU HA . . 5.500 4.817 4.759 4.869 . 0 0 "[ . 1 . 2]" 1
690 1 29 VAL HA 1 32 ALA H . . 3.900 3.352 3.173 3.553 . 0 0 "[ . 1 . 2]" 1
691 1 29 VAL HA 1 32 ALA MB . . 3.430 2.562 2.219 2.802 . 0 0 "[ . 1 . 2]" 1
692 1 29 VAL HA 1 49 VAL QG . . 5.290 4.684 4.344 5.222 . 0 0 "[ . 1 . 2]" 1
693 1 29 VAL HA 1 51 LEU HA . . 5.410 4.603 4.178 5.091 . 0 0 "[ . 1 . 2]" 1
694 1 29 VAL HA 1 51 LEU QD . . 5.440 5.077 4.576 5.442 0.002 9 0 "[ . 1 . 2]" 1
695 1 29 VAL HA 1 52 PRO QD . . 3.730 2.771 2.449 3.033 . 0 0 "[ . 1 . 2]" 1
696 1 29 VAL HA 1 52 PRO QG . . 3.810 2.443 1.947 2.895 . 0 0 "[ . 1 . 2]" 1
697 1 29 VAL HB 1 30 LEU H . . 3.280 2.698 2.415 2.988 . 0 0 "[ . 1 . 2]" 1
698 1 29 VAL HB 1 51 LEU QD . . 5.440 5.090 4.628 5.445 0.005 1 0 "[ . 1 . 2]" 1
699 1 29 VAL QG 1 30 LEU H . . 3.700 3.305 3.123 3.447 . 0 0 "[ . 1 . 2]" 1
700 1 29 VAL QG 1 30 LEU HA . . 4.420 3.633 3.381 3.739 . 0 0 "[ . 1 . 2]" 1
701 1 29 VAL QG 1 31 ALA H . . 5.440 4.661 4.468 4.831 . 0 0 "[ . 1 . 2]" 1
702 1 29 VAL QG 1 32 ALA H . . 4.510 4.141 3.959 4.350 . 0 0 "[ . 1 . 2]" 1
703 1 29 VAL QG 1 33 ASN H . . 4.280 3.841 3.634 4.070 . 0 0 "[ . 1 . 2]" 1
704 1 29 VAL QG 1 33 ASN HA . . 5.440 5.198 4.850 5.439 . 0 0 "[ . 1 . 2]" 1
705 1 29 VAL QG 1 33 ASN QB . . 3.960 2.897 2.490 3.161 . 0 0 "[ . 1 . 2]" 1
706 1 29 VAL QG 1 49 VAL HA . . 5.440 4.673 4.085 5.113 . 0 0 "[ . 1 . 2]" 1
707 1 29 VAL QG 1 49 VAL HB . . 5.380 4.276 3.928 4.948 . 0 0 "[ . 1 . 2]" 1
708 1 29 VAL QG 1 49 VAL QG . . 3.140 2.252 1.913 2.652 . 0 0 "[ . 1 . 2]" 1
709 1 29 VAL QG 1 50 GLU H . . 4.470 3.998 3.293 4.470 . 0 0 "[ . 1 . 2]" 1
710 1 29 VAL QG 1 51 LEU HA . . 3.740 2.947 2.635 3.368 . 0 0 "[ . 1 . 2]" 1
711 1 29 VAL QG 1 51 LEU QD . . 3.420 2.646 2.182 2.978 . 0 0 "[ . 1 . 2]" 1
712 1 29 VAL QG 1 52 PRO QD . . 3.210 2.148 1.843 2.567 . 0 0 "[ . 1 . 2]" 1
713 1 29 VAL QG 1 52 PRO QG . . 3.800 2.597 2.135 3.087 . 0 0 "[ . 1 . 2]" 1
714 1 29 VAL MG1 1 30 LEU H . . 4.770 3.641 3.329 3.838 . 0 0 "[ . 1 . 2]" 1
715 1 29 VAL MG1 1 51 LEU HA . . 4.340 3.647 3.375 4.146 . 0 0 "[ . 1 . 2]" 1
716 1 29 VAL MG1 1 52 PRO QD . . 3.910 2.993 2.685 3.484 . 0 0 "[ . 1 . 2]" 1
717 1 29 VAL MG1 1 52 PRO QG . . 5.020 3.806 3.317 4.238 . 0 0 "[ . 1 . 2]" 1
718 1 29 VAL MG2 1 30 LEU H . . 4.770 3.794 3.657 3.937 . 0 0 "[ . 1 . 2]" 1
719 1 29 VAL MG2 1 51 LEU HA . . 4.340 3.118 2.706 3.592 . 0 0 "[ . 1 . 2]" 1
720 1 29 VAL MG2 1 52 PRO QD . . 3.910 2.205 1.865 2.642 . 0 0 "[ . 1 . 2]" 1
721 1 29 VAL MG2 1 52 PRO QG . . 5.020 2.646 2.157 3.195 . 0 0 "[ . 1 . 2]" 1
722 1 30 LEU H 1 30 LEU HB2 . . 3.620 2.249 2.096 2.675 . 0 0 "[ . 1 . 2]" 1
723 1 30 LEU H 1 30 LEU QB . . 2.980 2.163 2.077 2.354 . 0 0 "[ . 1 . 2]" 1
724 1 30 LEU H 1 30 LEU HB3 . . 3.620 3.190 2.348 3.573 . 0 0 "[ . 1 . 2]" 1
725 1 30 LEU H 1 30 LEU QD . . 4.910 3.312 2.485 3.695 . 0 0 "[ . 1 . 2]" 1
726 1 30 LEU H 1 31 ALA H . . 3.270 2.720 2.540 2.899 . 0 0 "[ . 1 . 2]" 1
727 1 30 LEU H 1 31 ALA HA . . 5.500 5.320 5.181 5.453 . 0 0 "[ . 1 . 2]" 1
728 1 30 LEU H 1 32 ALA H . . 4.560 4.030 3.857 4.193 . 0 0 "[ . 1 . 2]" 1
729 1 30 LEU H 1 33 ASN H . . 5.210 4.642 4.476 4.868 . 0 0 "[ . 1 . 2]" 1
730 1 30 LEU HA 1 30 LEU QD . . 3.000 2.184 1.876 2.920 . 0 0 "[ . 1 . 2]" 1
731 1 30 LEU HA 1 30 LEU HG . . 4.110 2.817 2.188 3.644 . 0 0 "[ . 1 . 2]" 1
732 1 30 LEU HA 1 32 ALA H . . 4.300 4.217 3.929 4.305 0.005 1 0 "[ . 1 . 2]" 1
733 1 30 LEU HA 1 33 ASN H . . 3.950 3.360 3.106 3.535 . 0 0 "[ . 1 . 2]" 1
734 1 30 LEU HA 1 33 ASN QB . . 4.150 3.647 3.324 3.847 . 0 0 "[ . 1 . 2]" 1
735 1 30 LEU HA 1 34 PRO HA . . 5.260 4.394 3.826 5.153 . 0 0 "[ . 1 . 2]" 1
736 1 30 LEU HA 1 36 LEU QD . . 5.440 5.346 4.007 5.447 0.007 9 0 "[ . 1 . 2]" 1
737 1 30 LEU QB 1 31 ALA H . . 3.250 2.604 2.362 2.872 . 0 0 "[ . 1 . 2]" 1
738 1 30 LEU QB 1 32 ALA H . . 5.150 4.554 4.358 4.684 . 0 0 "[ . 1 . 2]" 1
739 1 30 LEU QB 1 33 ASN H . . 5.340 4.765 4.544 5.023 . 0 0 "[ . 1 . 2]" 1
740 1 30 LEU HB2 1 31 ALA H . . 4.000 3.130 2.459 3.960 . 0 0 "[ . 1 . 2]" 1
741 1 30 LEU HB3 1 31 ALA H . . 4.000 3.005 2.403 3.515 . 0 0 "[ . 1 . 2]" 1
742 1 30 LEU QD 1 31 ALA H . . 4.330 4.022 3.660 4.249 . 0 0 "[ . 1 . 2]" 1
743 1 30 LEU QD 1 33 ASN QB . . 5.440 4.330 3.924 5.021 . 0 0 "[ . 1 . 2]" 1
744 1 30 LEU QD 1 34 PRO HA . . 4.690 3.730 2.284 4.662 . 0 0 "[ . 1 . 2]" 1
745 1 30 LEU QD 1 36 LEU H . . 5.000 4.083 3.498 5.000 . 0 0 "[ . 1 . 2]" 1
746 1 30 LEU QD 1 37 ALA HA . . 3.920 3.394 2.612 3.915 . 0 0 "[ . 1 . 2]" 1
747 1 30 LEU QD 1 37 ALA MB . . 3.490 2.069 1.676 2.787 . 0 0 "[ . 1 . 2]" 1
748 1 30 LEU QD 1 38 GLU H . . 5.290 4.788 4.071 5.298 0.008 2 0 "[ . 1 . 2]" 1
749 1 30 LEU MD1 1 31 ALA H . . 5.170 4.557 4.156 4.857 . 0 0 "[ . 1 . 2]" 1
750 1 30 LEU MD2 1 31 ALA H . . 5.170 4.500 4.011 4.935 . 0 0 "[ . 1 . 2]" 1
751 1 31 ALA H 1 31 ALA MB . . 2.670 2.130 2.027 2.261 . 0 0 "[ . 1 . 2]" 1
752 1 31 ALA H 1 32 ALA H . . 3.200 2.583 2.346 2.753 . 0 0 "[ . 1 . 2]" 1
753 1 31 ALA H 1 33 ASN H . . 4.050 3.958 3.763 4.059 0.009 2 0 "[ . 1 . 2]" 1
754 1 31 ALA HA 1 33 ASN H . . 4.260 4.218 4.106 4.264 0.004 6 0 "[ . 1 . 2]" 1
755 1 31 ALA HA 1 34 PRO HA . . 5.490 4.665 4.420 4.953 . 0 0 "[ . 1 . 2]" 1
756 1 31 ALA HA 1 34 PRO QB . . 4.940 4.001 3.764 4.228 . 0 0 "[ . 1 . 2]" 1
757 1 31 ALA HA 1 34 PRO QG . . 5.170 4.911 4.505 5.170 0.000 1 0 "[ . 1 . 2]" 1
758 1 31 ALA MB 1 34 PRO QB . . 5.500 5.171 4.918 5.377 . 0 0 "[ . 1 . 2]" 1
759 1 32 ALA H 1 32 ALA MB . . 2.780 2.115 2.048 2.275 . 0 0 "[ . 1 . 2]" 1
760 1 32 ALA H 1 33 ASN H . . 3.010 2.385 2.195 2.510 . 0 0 "[ . 1 . 2]" 1
761 1 32 ALA H 1 33 ASN HA . . 5.270 5.073 4.919 5.172 . 0 0 "[ . 1 . 2]" 1
762 1 32 ALA H 1 33 ASN QB . . 4.550 4.491 4.289 4.554 0.004 6 0 "[ . 1 . 2]" 1
763 1 32 ALA H 1 33 ASN QD . . 4.480 4.205 3.559 4.470 . 0 0 "[ . 1 . 2]" 1
764 1 32 ALA H 1 52 PRO QG . . 5.500 3.975 3.092 4.765 . 0 0 "[ . 1 . 2]" 1
765 1 32 ALA HA 1 34 PRO QD . . 4.870 3.544 3.285 3.749 . 0 0 "[ . 1 . 2]" 1
766 1 32 ALA MB 1 33 ASN H . . 3.580 2.911 2.820 2.980 . 0 0 "[ . 1 . 2]" 1
767 1 32 ALA MB 1 50 GLU H . . 5.500 4.551 3.603 5.087 . 0 0 "[ . 1 . 2]" 1
768 1 32 ALA MB 1 50 GLU QB . . 3.710 2.943 2.467 3.392 . 0 0 "[ . 1 . 2]" 1
769 1 32 ALA MB 1 50 GLU QG . . 4.170 3.307 2.667 4.171 0.001 3 0 "[ . 1 . 2]" 1
770 1 32 ALA MB 1 52 PRO HA . . 5.500 4.796 3.909 5.415 . 0 0 "[ . 1 . 2]" 1
771 1 32 ALA MB 1 52 PRO QB . . 3.950 3.071 2.075 3.647 . 0 0 "[ . 1 . 2]" 1
772 1 32 ALA MB 1 52 PRO QD . . 3.670 2.901 2.394 3.467 . 0 0 "[ . 1 . 2]" 1
773 1 32 ALA MB 1 52 PRO QG . . 3.260 2.463 1.872 3.083 . 0 0 "[ . 1 . 2]" 1
774 1 33 ASN H 1 33 ASN QB . . 3.160 2.552 2.375 2.771 . 0 0 "[ . 1 . 2]" 1
775 1 33 ASN H 1 33 ASN QD . . 3.640 3.023 2.596 3.249 . 0 0 "[ . 1 . 2]" 1
776 1 33 ASN H 1 34 PRO HD2 . . 4.290 3.967 3.876 4.025 . 0 0 "[ . 1 . 2]" 1
777 1 33 ASN H 1 34 PRO QD . . 3.620 3.063 2.945 3.141 . 0 0 "[ . 1 . 2]" 1
778 1 33 ASN H 1 34 PRO HD3 . . 4.290 3.187 3.052 3.278 . 0 0 "[ . 1 . 2]" 1
779 1 33 ASN H 1 50 GLU QB . . 5.500 5.450 4.931 5.511 0.011 7 0 "[ . 1 . 2]" 1
780 1 33 ASN HA 1 34 PRO HD2 . . 3.630 2.069 2.050 2.113 . 0 0 "[ . 1 . 2]" 1
781 1 33 ASN HA 1 34 PRO QD . . 3.070 2.026 2.008 2.070 . 0 0 "[ . 1 . 2]" 1
782 1 33 ASN HA 1 34 PRO HD3 . . 3.630 2.900 2.870 2.963 . 0 0 "[ . 1 . 2]" 1
783 1 33 ASN HA 1 34 PRO QG . . 4.760 3.910 3.896 3.943 . 0 0 "[ . 1 . 2]" 1
784 1 33 ASN HA 1 36 LEU QB . . 5.340 4.638 4.140 5.323 . 0 0 "[ . 1 . 2]" 1
785 1 33 ASN QB 1 36 LEU H . . 4.540 4.058 3.743 4.304 . 0 0 "[ . 1 . 2]" 1
786 1 33 ASN QB 1 36 LEU HB2 . . 4.170 2.804 2.260 3.203 . 0 0 "[ . 1 . 2]" 1
787 1 33 ASN QB 1 36 LEU QB . . 3.550 2.706 2.197 3.104 . 0 0 "[ . 1 . 2]" 1
788 1 33 ASN QB 1 36 LEU HB3 . . 4.170 3.671 2.732 4.171 0.001 20 0 "[ . 1 . 2]" 1
789 1 33 ASN QB 1 36 LEU MD1 . . 5.500 4.500 2.751 5.283 . 0 0 "[ . 1 . 2]" 1
790 1 33 ASN QB 1 36 LEU QD . . 4.610 3.410 2.588 4.038 . 0 0 "[ . 1 . 2]" 1
791 1 33 ASN QB 1 36 LEU MD2 . . 5.500 3.566 3.149 4.191 . 0 0 "[ . 1 . 2]" 1
792 1 33 ASN QB 1 36 LEU HG . . 4.740 3.545 2.943 4.749 0.009 2 0 "[ . 1 . 2]" 1
793 1 33 ASN QB 1 50 GLU H . . 5.300 4.242 3.826 4.620 . 0 0 "[ . 1 . 2]" 1
794 1 33 ASN QB 1 50 GLU QB . . 5.390 4.562 4.023 5.231 . 0 0 "[ . 1 . 2]" 1
795 1 33 ASN QD 1 50 GLU H . . 3.230 2.300 1.941 3.231 0.001 9 0 "[ . 1 . 2]" 1
796 1 34 PRO HA 1 35 GLY QA . . 5.500 3.977 3.915 4.013 . 0 0 "[ . 1 . 2]" 1
797 1 34 PRO HA 1 36 LEU H . . 3.970 3.351 3.162 3.609 . 0 0 "[ . 1 . 2]" 1
798 1 34 PRO HA 1 37 ALA MB . . 4.760 4.669 4.403 4.770 0.010 15 0 "[ . 1 . 2]" 1
799 1 34 PRO QB 1 35 GLY QA . . 5.500 3.706 3.632 3.886 . 0 0 "[ . 1 . 2]" 1
800 1 34 PRO QG 1 35 GLY QA . . 5.500 4.464 4.401 4.561 . 0 0 "[ . 1 . 2]" 1
801 1 35 GLY H 1 36 LEU H . . 4.090 2.648 2.180 2.780 . 0 0 "[ . 1 . 2]" 1
802 1 36 LEU H 1 36 LEU HB2 . . 3.220 2.255 2.119 2.775 . 0 0 "[ . 1 . 2]" 1
803 1 36 LEU H 1 36 LEU QB . . 2.710 2.156 2.081 2.229 . 0 0 "[ . 1 . 2]" 1
804 1 36 LEU H 1 36 LEU HB3 . . 3.220 2.848 2.329 3.038 . 0 0 "[ . 1 . 2]" 1
805 1 36 LEU H 1 37 ALA H . . 3.110 2.522 2.371 2.673 . 0 0 "[ . 1 . 2]" 1
806 1 36 LEU H 1 37 ALA MB . . 5.430 4.106 3.950 4.263 . 0 0 "[ . 1 . 2]" 1
807 1 36 LEU HA 1 36 LEU MD1 . . 3.880 2.672 2.519 3.429 . 0 0 "[ . 1 . 2]" 1
808 1 36 LEU HA 1 36 LEU QD . . 3.170 2.028 1.898 3.153 . 0 0 "[ . 1 . 2]" 1
809 1 36 LEU HA 1 36 LEU MD2 . . 3.880 2.117 1.955 3.679 . 0 0 "[ . 1 . 2]" 1
810 1 36 LEU QB 1 37 ALA H . . 3.570 2.749 2.540 3.109 . 0 0 "[ . 1 . 2]" 1
811 1 36 LEU QB 1 38 GLU H . . 5.040 4.525 4.426 4.749 . 0 0 "[ . 1 . 2]" 1
812 1 36 LEU HB2 1 37 ALA H . . 4.220 3.677 3.543 4.256 0.036 2 0 "[ . 1 . 2]" 1
813 1 36 LEU HB3 1 37 ALA H . . 4.220 2.843 2.596 3.211 . 0 0 "[ . 1 . 2]" 1
814 1 36 LEU QD 1 38 GLU H . . 5.440 4.365 4.149 4.670 . 0 0 "[ . 1 . 2]" 1
815 1 36 LEU QD 1 39 LEU H . . 3.920 3.606 3.303 3.939 0.019 2 0 "[ . 1 . 2]" 1
816 1 36 LEU QD 1 39 LEU QB . . 3.810 2.381 1.884 2.878 . 0 0 "[ . 1 . 2]" 1
817 1 36 LEU QD 1 40 GLY H . . 5.200 4.218 3.426 5.230 0.030 6 0 "[ . 1 . 2]" 1
818 1 36 LEU QD 1 43 LEU HA . . 4.480 3.941 3.292 4.453 . 0 0 "[ . 1 . 2]" 1
819 1 36 LEU QD 1 44 PRO QD . . 3.720 3.473 2.896 3.737 0.017 1 0 "[ . 1 . 2]" 1
820 1 36 LEU QD 1 44 PRO QG . . 4.760 4.282 3.183 4.757 . 0 0 "[ . 1 . 2]" 1
821 1 36 LEU QD 1 47 THR HB . . 5.270 4.229 3.812 4.710 . 0 0 "[ . 1 . 2]" 1
822 1 36 LEU MD1 1 39 LEU H . . 4.960 3.808 3.462 4.994 0.034 2 0 "[ . 1 . 2]" 1
823 1 36 LEU MD2 1 39 LEU H . . 4.960 4.586 4.106 4.966 0.006 9 0 "[ . 1 . 2]" 1
824 1 36 LEU HG 1 47 THR MG . . 5.220 4.397 3.400 5.225 0.005 17 0 "[ . 1 . 2]" 1
825 1 37 ALA H 1 37 ALA MB . . 2.920 2.065 2.023 2.246 . 0 0 "[ . 1 . 2]" 1
826 1 37 ALA H 1 38 GLU H . . 3.350 2.632 2.517 2.781 . 0 0 "[ . 1 . 2]" 1
827 1 37 ALA H 1 39 LEU H . . 4.730 4.127 3.886 4.326 . 0 0 "[ . 1 . 2]" 1
828 1 37 ALA HA 1 39 LEU H . . 4.410 3.769 3.438 4.221 . 0 0 "[ . 1 . 2]" 1
829 1 37 ALA MB 1 38 GLU H . . 3.390 2.976 2.648 3.240 . 0 0 "[ . 1 . 2]" 1
830 1 37 ALA MB 1 38 GLU HA . . 5.070 3.861 3.756 3.976 . 0 0 "[ . 1 . 2]" 1
831 1 37 ALA MB 1 38 GLU QB . . 4.800 4.379 3.678 4.646 . 0 0 "[ . 1 . 2]" 1
832 1 37 ALA MB 1 38 GLU QG . . 4.600 3.626 3.098 4.465 . 0 0 "[ . 1 . 2]" 1
833 1 38 GLU H 1 38 GLU QB . . 3.590 2.428 2.168 2.724 . 0 0 "[ . 1 . 2]" 1
834 1 38 GLU H 1 38 GLU QG . . 3.730 2.524 2.053 3.474 . 0 0 "[ . 1 . 2]" 1
835 1 38 GLU H 1 39 LEU H . . 3.330 2.461 2.258 2.623 . 0 0 "[ . 1 . 2]" 1
836 1 38 GLU H 1 39 LEU HB2 . . 5.230 4.345 4.000 4.753 . 0 0 "[ . 1 . 2]" 1
837 1 38 GLU H 1 39 LEU QB . . 4.580 4.100 3.888 4.349 . 0 0 "[ . 1 . 2]" 1
838 1 38 GLU H 1 39 LEU HB3 . . 5.230 5.069 4.703 5.299 0.069 1 0 "[ . 1 . 2]" 1
839 1 38 GLU HA 1 39 LEU H . . 3.500 3.341 3.151 3.495 . 0 0 "[ . 1 . 2]" 1
840 1 38 GLU QB 1 39 LEU H . . 4.510 3.252 2.800 3.939 . 0 0 "[ . 1 . 2]" 1
841 1 38 GLU QG 1 39 LEU H . . 5.030 4.107 2.516 4.659 . 0 0 "[ . 1 . 2]" 1
842 1 39 LEU H 1 39 LEU HB2 . . 3.820 2.295 2.042 2.579 . 0 0 "[ . 1 . 2]" 1
843 1 39 LEU H 1 39 LEU QB . . 2.970 2.169 2.020 2.284 . 0 0 "[ . 1 . 2]" 1
844 1 39 LEU H 1 39 LEU HB3 . . 3.820 2.781 2.502 3.215 . 0 0 "[ . 1 . 2]" 1
845 1 39 LEU H 1 39 LEU QD . . 5.110 3.466 2.817 3.698 . 0 0 "[ . 1 . 2]" 1
846 1 39 LEU HA 1 39 LEU HG . . 3.850 3.337 2.473 3.705 . 0 0 "[ . 1 . 2]" 1
847 1 39 LEU QB 1 40 GLY H . . 3.890 2.328 2.256 2.766 . 0 0 "[ . 1 . 2]" 1
848 1 39 LEU QB 1 44 PRO QD . . 4.550 4.026 3.383 4.508 . 0 0 "[ . 1 . 2]" 1
849 1 39 LEU HB2 1 40 GLY H . . 4.450 3.547 3.082 3.869 . 0 0 "[ . 1 . 2]" 1
850 1 39 LEU HB3 1 40 GLY H . . 4.450 2.365 2.284 2.833 . 0 0 "[ . 1 . 2]" 1
851 1 39 LEU QD 1 43 LEU H . . 4.500 4.329 3.279 4.512 0.012 3 0 "[ . 1 . 2]" 1
852 1 39 LEU QD 1 44 PRO QD . . 3.980 1.973 1.791 2.535 . 0 0 "[ . 1 . 2]" 1
853 1 39 LEU QD 1 44 PRO QG . . 5.280 2.819 2.434 3.421 . 0 0 "[ . 1 . 2]" 1
854 1 39 LEU HG 1 40 GLY QA . . 5.340 4.875 3.788 5.510 0.170 17 0 "[ . 1 . 2]" 1
855 1 39 LEU HG 1 43 LEU HA . . 3.730 3.148 2.062 3.739 0.009 6 0 "[ . 1 . 2]" 1
856 1 39 LEU HG 1 44 PRO HD2 . . 4.360 3.656 2.411 4.382 0.022 6 0 "[ . 1 . 2]" 1
857 1 39 LEU HG 1 44 PRO QD . . 3.800 2.758 1.912 3.385 . 0 0 "[ . 1 . 2]" 1
858 1 39 LEU HG 1 44 PRO HD3 . . 4.360 2.872 1.999 3.522 . 0 0 "[ . 1 . 2]" 1
859 1 39 LEU HG 1 44 PRO QG . . 4.760 4.225 3.066 4.797 0.037 1 0 "[ . 1 . 2]" 1
860 1 41 ALA H 1 41 ALA MB . . 3.260 2.176 2.033 2.440 . 0 0 "[ . 1 . 2]" 1
861 1 41 ALA MB 1 42 VAL H . . 3.360 2.211 1.957 2.792 . 0 0 "[ . 1 . 2]" 1
862 1 41 ALA MB 1 42 VAL HB . . 4.250 3.749 3.377 4.243 . 0 0 "[ . 1 . 2]" 1
863 1 41 ALA MB 1 42 VAL QG . . 3.840 2.949 2.340 3.585 . 0 0 "[ . 1 . 2]" 1
864 1 42 VAL H 1 42 VAL HB . . 3.090 2.727 2.414 3.036 . 0 0 "[ . 1 . 2]" 1
865 1 42 VAL H 1 42 VAL QG . . 3.150 2.196 1.999 2.525 . 0 0 "[ . 1 . 2]" 1
866 1 42 VAL H 1 43 LEU H . . 4.580 4.518 4.351 4.639 0.059 16 0 "[ . 1 . 2]" 1
867 1 42 VAL HA 1 42 VAL QG . . 3.100 2.178 2.051 2.298 . 0 0 "[ . 1 . 2]" 1
868 1 42 VAL HA 1 43 LEU H . . 2.670 2.218 2.141 2.292 . 0 0 "[ . 1 . 2]" 1
869 1 42 VAL HB 1 43 LEU H . . 4.200 4.034 3.706 4.214 0.014 9 0 "[ . 1 . 2]" 1
870 1 42 VAL QG 1 43 LEU H . . 3.110 2.115 1.903 2.718 . 0 0 "[ . 1 . 2]" 1
871 1 42 VAL QG 1 43 LEU HA . . 4.730 3.785 3.384 4.100 . 0 0 "[ . 1 . 2]" 1
872 1 42 VAL QG 1 44 PRO HA . . 4.800 4.246 4.017 4.557 . 0 0 "[ . 1 . 2]" 1
873 1 43 LEU H 1 43 LEU QB . . 3.170 2.557 2.188 3.081 . 0 0 "[ . 1 . 2]" 1
874 1 43 LEU H 1 43 LEU QD . . 3.830 2.327 1.903 2.937 . 0 0 "[ . 1 . 2]" 1
875 1 43 LEU HA 1 44 PRO HD2 . . 3.410 2.427 2.348 2.513 . 0 0 "[ . 1 . 2]" 1
876 1 43 LEU HA 1 44 PRO QD . . 2.940 2.106 2.061 2.158 . 0 0 "[ . 1 . 2]" 1
877 1 43 LEU HA 1 44 PRO HD3 . . 3.410 2.312 2.282 2.351 . 0 0 "[ . 1 . 2]" 1
878 1 43 LEU HA 1 44 PRO QG . . 4.440 4.019 3.970 4.076 . 0 0 "[ . 1 . 2]" 1
879 1 43 LEU QB 1 44 PRO QD . . 4.850 1.975 1.927 2.141 . 0 0 "[ . 1 . 2]" 1
880 1 43 LEU QB 1 47 THR HB . . 4.620 3.386 2.726 4.206 . 0 0 "[ . 1 . 2]" 1
881 1 43 LEU QD 1 47 THR HB . . 4.690 3.689 2.407 4.659 . 0 0 "[ . 1 . 2]" 1
882 1 43 LEU QD 1 47 THR MG . . 4.380 3.316 2.026 4.351 . 0 0 "[ . 1 . 2]" 1
883 1 44 PRO HA 1 47 THR H . . 5.500 5.475 5.311 5.543 0.043 9 0 "[ . 1 . 2]" 1
884 1 44 PRO QB 1 47 THR H . . 4.580 4.154 3.315 4.603 0.023 15 0 "[ . 1 . 2]" 1
885 1 44 PRO QD 1 47 THR MG . . 5.280 3.618 2.917 3.872 . 0 0 "[ . 1 . 2]" 1
886 1 45 HIS HA 1 45 HIS HD2 . . 4.500 4.398 4.194 4.592 0.092 18 0 "[ . 1 . 2]" 1
887 1 45 HIS HA 1 46 GLY H . . 2.760 2.184 2.144 2.313 . 0 0 "[ . 1 . 2]" 1
888 1 45 HIS HA 1 47 THR H . . 3.930 3.614 3.374 3.927 . 0 0 "[ . 1 . 2]" 1
889 1 45 HIS HB2 1 46 GLY HA3 . . 4.990 4.689 4.553 4.795 . 0 0 "[ . 1 . 2]" 1
890 1 45 HIS HB3 1 46 GLY H . . 4.500 4.350 4.218 4.514 0.014 10 0 "[ . 1 . 2]" 1
891 1 46 GLY H 1 47 THR H . . 3.320 2.148 1.879 2.929 . 0 0 "[ . 1 . 2]" 1
892 1 47 THR H 1 47 THR HB . . 2.910 2.505 2.457 2.641 . 0 0 "[ . 1 . 2]" 1
893 1 47 THR H 1 47 THR MG . . 3.880 3.772 3.764 3.780 . 0 0 "[ . 1 . 2]" 1
894 1 47 THR H 1 48 ALA H . . 4.500 4.456 4.369 4.552 0.052 15 0 "[ . 1 . 2]" 1
895 1 47 THR H 1 48 ALA HA . . 5.500 5.322 5.178 5.524 0.024 5 0 "[ . 1 . 2]" 1
896 1 47 THR HA 1 47 THR MG . . 3.220 2.352 2.207 2.417 . 0 0 "[ . 1 . 2]" 1
897 1 47 THR HA 1 48 ALA H . . 2.550 2.146 2.141 2.158 . 0 0 "[ . 1 . 2]" 1
898 1 47 THR HA 1 48 ALA HA . . 4.540 4.390 4.366 4.412 . 0 0 "[ . 1 . 2]" 1
899 1 47 THR HA 1 48 ALA MB . . 4.650 3.950 3.908 4.013 . 0 0 "[ . 1 . 2]" 1
900 1 47 THR HA 1 49 VAL QG . . 5.170 4.826 4.305 5.104 . 0 0 "[ . 1 . 2]" 1
901 1 47 THR HB 1 49 VAL QG . . 4.240 3.705 2.935 4.028 . 0 0 "[ . 1 . 2]" 1
902 1 47 THR MG 1 48 ALA H . . 3.200 2.706 2.394 3.000 . 0 0 "[ . 1 . 2]" 1
903 1 47 THR MG 1 48 ALA HA . . 4.370 4.091 3.942 4.182 . 0 0 "[ . 1 . 2]" 1
904 1 47 THR MG 1 49 VAL H . . 4.990 4.594 3.618 4.983 . 0 0 "[ . 1 . 2]" 1
905 1 47 THR MG 1 49 VAL HA . . 4.980 4.212 3.868 4.445 . 0 0 "[ . 1 . 2]" 1
906 1 47 THR MG 1 49 VAL QG . . 3.270 2.567 1.847 2.946 . 0 0 "[ . 1 . 2]" 1
907 1 48 ALA H 1 48 ALA MB . . 2.760 2.133 2.037 2.270 . 0 0 "[ . 1 . 2]" 1
908 1 48 ALA H 1 49 VAL H . . 4.640 4.527 4.197 4.636 . 0 0 "[ . 1 . 2]" 1
909 1 48 ALA HA 1 49 VAL H . . 2.640 2.246 2.142 2.316 . 0 0 "[ . 1 . 2]" 1
910 1 48 ALA HA 1 49 VAL QG . . 4.590 3.435 3.214 3.923 . 0 0 "[ . 1 . 2]" 1
911 1 48 ALA MB 1 49 VAL H . . 3.630 2.941 2.564 3.508 . 0 0 "[ . 1 . 2]" 1
912 1 48 ALA MB 1 49 VAL HA . . 4.960 3.991 3.816 4.200 . 0 0 "[ . 1 . 2]" 1
913 1 48 ALA MB 1 49 VAL QG . . 4.640 4.001 3.892 4.171 . 0 0 "[ . 1 . 2]" 1
914 1 49 VAL H 1 49 VAL HB . . 3.240 2.786 2.598 2.904 . 0 0 "[ . 1 . 2]" 1
915 1 49 VAL H 1 49 VAL QG . . 3.410 2.699 2.404 2.955 . 0 0 "[ . 1 . 2]" 1
916 1 49 VAL H 1 50 GLU H . . 5.040 4.330 4.104 4.508 . 0 0 "[ . 1 . 2]" 1
917 1 49 VAL HA 1 49 VAL MG1 . . 3.200 2.273 2.202 2.382 . 0 0 "[ . 1 . 2]" 1
918 1 49 VAL HA 1 49 VAL MG2 . . 3.200 2.398 2.286 2.472 . 0 0 "[ . 1 . 2]" 1
919 1 49 VAL HA 1 50 GLU H . . 2.690 2.175 2.142 2.238 . 0 0 "[ . 1 . 2]" 1
920 1 49 VAL HA 1 50 GLU QB . . 5.100 4.065 4.020 4.080 . 0 0 "[ . 1 . 2]" 1
921 1 49 VAL HB 1 51 LEU QD . . 5.380 3.553 2.862 4.017 . 0 0 "[ . 1 . 2]" 1
922 1 49 VAL QG 1 50 GLU H . . 3.480 2.261 1.933 2.590 . 0 0 "[ . 1 . 2]" 1
923 1 49 VAL QG 1 50 GLU HA . . 4.950 3.995 3.843 4.157 . 0 0 "[ . 1 . 2]" 1
924 1 49 VAL QG 1 50 GLU QB . . 5.180 3.670 3.479 3.921 . 0 0 "[ . 1 . 2]" 1
925 1 49 VAL QG 1 51 LEU HA . . 4.870 4.194 4.073 4.294 . 0 0 "[ . 1 . 2]" 1
926 1 49 VAL QG 1 51 LEU QD . . 5.150 2.942 2.408 3.425 . 0 0 "[ . 1 . 2]" 1
927 1 50 GLU H 1 50 GLU QB . . 2.970 2.267 2.228 2.357 . 0 0 "[ . 1 . 2]" 1
928 1 50 GLU H 1 50 GLU HG2 . . 4.640 4.428 4.297 4.649 0.009 18 0 "[ . 1 . 2]" 1
929 1 50 GLU H 1 50 GLU HG3 . . 4.640 4.500 4.332 4.677 0.037 1 0 "[ . 1 . 2]" 1
930 1 50 GLU H 1 51 LEU H . . 5.000 4.567 4.503 4.608 . 0 0 "[ . 1 . 2]" 1
931 1 50 GLU HA 1 51 LEU H . . 2.640 2.203 2.143 2.267 . 0 0 "[ . 1 . 2]" 1
932 1 50 GLU QB 1 51 LEU H . . 3.820 3.618 3.485 3.785 . 0 0 "[ . 1 . 2]" 1
933 1 50 GLU QB 1 52 PRO QD . . 4.760 3.511 3.309 3.629 . 0 0 "[ . 1 . 2]" 1
934 1 50 GLU QG 1 51 LEU H . . 3.880 2.493 2.158 2.966 . 0 0 "[ . 1 . 2]" 1
935 1 50 GLU QG 1 51 LEU HB2 . . 5.340 4.566 4.200 4.955 . 0 0 "[ . 1 . 2]" 1
936 1 50 GLU QG 1 52 PRO HA . . 4.830 3.819 3.565 4.662 . 0 0 "[ . 1 . 2]" 1
937 1 50 GLU QG 1 52 PRO QD . . 4.140 2.748 2.302 4.110 . 0 0 "[ . 1 . 2]" 1
938 1 50 GLU HG2 1 52 PRO HA . . 5.500 4.300 3.675 5.122 . 0 0 "[ . 1 . 2]" 1
939 1 50 GLU HG2 1 52 PRO QD . . 4.800 3.142 2.328 4.465 . 0 0 "[ . 1 . 2]" 1
940 1 50 GLU HG3 1 52 PRO HA . . 5.500 4.512 3.725 5.363 . 0 0 "[ . 1 . 2]" 1
941 1 50 GLU HG3 1 52 PRO QD . . 4.800 3.719 2.458 4.806 0.006 1 0 "[ . 1 . 2]" 1
942 1 51 LEU H 1 51 LEU HB2 . . 3.240 2.536 2.311 2.688 . 0 0 "[ . 1 . 2]" 1
943 1 51 LEU H 1 51 LEU HB3 . . 3.710 3.686 3.531 3.729 0.019 11 0 "[ . 1 . 2]" 1
944 1 51 LEU H 1 51 LEU MD1 . . 4.240 3.714 2.708 4.109 . 0 0 "[ . 1 . 2]" 1
945 1 51 LEU H 1 51 LEU QD . . 3.700 3.224 2.641 3.575 . 0 0 "[ . 1 . 2]" 1
946 1 51 LEU H 1 51 LEU MD2 . . 4.240 3.760 2.676 4.256 0.016 15 0 "[ . 1 . 2]" 1
947 1 51 LEU H 1 52 PRO HA . . 5.090 4.865 4.777 4.927 . 0 0 "[ . 1 . 2]" 1
948 1 51 LEU H 1 52 PRO QD . . 4.300 3.685 3.639 3.719 . 0 0 "[ . 1 . 2]" 1
949 1 51 LEU H 1 54 VAL QG . . 4.900 4.285 4.163 4.659 . 0 0 "[ . 1 . 2]" 1
950 1 51 LEU HA 1 51 LEU QD . . 3.150 2.207 1.916 2.608 . 0 0 "[ . 1 . 2]" 1
951 1 51 LEU HA 1 52 PRO QD . . 3.060 1.879 1.877 1.880 . 0 0 "[ . 1 . 2]" 1
952 1 51 LEU HA 1 52 PRO QG . . 4.650 3.794 3.792 3.795 . 0 0 "[ . 1 . 2]" 1
953 1 51 LEU HB2 1 52 PRO HA . . 5.500 5.294 5.114 5.557 0.057 15 0 "[ . 1 . 2]" 1
954 1 51 LEU HB2 1 52 PRO QD . . 5.220 4.340 4.292 4.379 . 0 0 "[ . 1 . 2]" 1
955 1 51 LEU HB2 1 54 VAL HB . . 4.430 3.622 2.935 4.429 . 0 0 "[ . 1 . 2]" 1
956 1 51 LEU HB2 1 54 VAL MG1 . . 5.230 3.627 3.134 4.213 . 0 0 "[ . 1 . 2]" 1
957 1 51 LEU HB2 1 54 VAL QG . . 4.350 2.583 2.222 3.231 . 0 0 "[ . 1 . 2]" 1
958 1 51 LEU HB2 1 54 VAL MG2 . . 5.230 2.652 2.247 3.432 . 0 0 "[ . 1 . 2]" 1
959 1 51 LEU HB3 1 52 PRO HA . . 5.500 5.229 5.017 5.411 . 0 0 "[ . 1 . 2]" 1
960 1 51 LEU HB3 1 52 PRO QD . . 4.960 3.725 3.653 3.859 . 0 0 "[ . 1 . 2]" 1
961 1 51 LEU HB3 1 54 VAL HA . . 5.500 5.490 5.389 5.514 0.014 18 0 "[ . 1 . 2]" 1
962 1 51 LEU HB3 1 54 VAL HB . . 4.500 3.841 3.075 4.210 . 0 0 "[ . 1 . 2]" 1
963 1 51 LEU HB3 1 54 VAL MG1 . . 3.880 3.698 3.360 3.878 . 0 0 "[ . 1 . 2]" 1
964 1 51 LEU HB3 1 54 VAL QG . . 3.330 1.956 1.917 2.008 . 0 0 "[ . 1 . 2]" 1
965 1 51 LEU HB3 1 54 VAL MG2 . . 3.880 1.963 1.925 2.024 . 0 0 "[ . 1 . 2]" 1
966 1 51 LEU QD 1 52 PRO QD . . 3.950 3.211 2.683 3.671 . 0 0 "[ . 1 . 2]" 1
967 1 51 LEU QD 1 54 VAL HB . . 5.130 4.336 3.894 5.050 . 0 0 "[ . 1 . 2]" 1
968 1 51 LEU QD 1 54 VAL QG . . 3.800 2.645 2.356 3.168 . 0 0 "[ . 1 . 2]" 1
969 1 52 PRO HA 1 53 ASP H . . 3.310 2.284 2.220 2.396 . 0 0 "[ . 1 . 2]" 1
970 1 52 PRO HA 1 54 VAL QG . . 5.070 3.842 3.698 4.212 . 0 0 "[ . 1 . 2]" 1
971 1 52 PRO HB2 1 53 ASP H . . 4.550 2.938 2.625 3.154 . 0 0 "[ . 1 . 2]" 1
972 1 52 PRO HB3 1 53 ASP H . . 4.550 3.630 3.459 3.757 . 0 0 "[ . 1 . 2]" 1
973 1 52 PRO QD 1 54 VAL QG . . 5.230 3.942 3.735 4.162 . 0 0 "[ . 1 . 2]" 1
974 1 52 PRO QG 1 54 VAL QG . . 4.950 4.464 4.296 4.640 . 0 0 "[ . 1 . 2]" 1
975 1 53 ASP H 1 53 ASP HB2 . . 4.180 3.355 3.051 3.734 . 0 0 "[ . 1 . 2]" 1
976 1 53 ASP H 1 53 ASP HB3 . . 4.180 3.943 3.774 4.091 . 0 0 "[ . 1 . 2]" 1
977 1 53 ASP H 1 54 VAL H . . 4.630 2.699 2.625 2.858 . 0 0 "[ . 1 . 2]" 1
978 1 53 ASP HA 1 54 VAL H . . 3.130 2.781 2.597 2.979 . 0 0 "[ . 1 . 2]" 1
979 1 53 ASP HA 1 54 VAL QG . . 5.390 4.282 4.113 4.435 . 0 0 "[ . 1 . 2]" 1
980 1 53 ASP QB 1 54 VAL H . . 3.970 3.870 3.741 3.920 . 0 0 "[ . 1 . 2]" 1
981 1 53 ASP HB2 1 54 VAL H . . 4.560 4.378 4.027 4.571 0.011 11 0 "[ . 1 . 2]" 1
982 1 53 ASP HB3 1 54 VAL H . . 4.560 4.344 4.174 4.529 . 0 0 "[ . 1 . 2]" 1
983 1 54 VAL H 1 54 VAL HB . . 3.370 2.662 2.575 2.829 . 0 0 "[ . 1 . 2]" 1
984 1 54 VAL H 1 54 VAL QG . . 3.430 2.785 2.673 2.989 . 0 0 "[ . 1 . 2]" 1
985 1 54 VAL H 1 55 GLN H . . 5.060 4.435 4.330 4.493 . 0 0 "[ . 1 . 2]" 1
986 1 54 VAL HA 1 54 VAL MG1 . . 3.460 2.360 2.314 2.441 . 0 0 "[ . 1 . 2]" 1
987 1 54 VAL HA 1 54 VAL MG2 . . 3.460 2.318 2.280 2.352 . 0 0 "[ . 1 . 2]" 1
988 1 54 VAL HB 1 55 GLN H . . 4.660 3.976 3.931 4.028 . 0 0 "[ . 1 . 2]" 1
989 1 54 VAL QG 1 55 GLN H . . 5.030 2.134 1.977 2.298 . 0 0 "[ . 1 . 2]" 1
990 1 54 VAL QG 1 55 GLN HA . . 4.800 3.628 3.417 3.924 . 0 0 "[ . 1 . 2]" 1
991 1 54 VAL QG 1 55 GLN QB . . 5.280 3.561 2.289 4.258 . 0 0 "[ . 1 . 2]" 1
992 1 54 VAL MG1 1 55 GLN HA . . 5.500 3.678 3.452 3.999 . 0 0 "[ . 1 . 2]" 1
993 1 54 VAL MG2 1 55 GLN HA . . 5.500 5.567 5.477 5.690 0.190 11 0 "[ . 1 . 2]" 1
994 1 55 GLN H 1 55 GLN QG . . 5.130 3.011 2.049 4.341 . 0 0 "[ . 1 . 2]" 1
995 1 55 GLN HA 1 55 GLN QG . . 3.950 2.662 2.109 3.339 . 0 0 "[ . 1 . 2]" 1
996 1 56 THR HA 1 56 THR MG . . 3.480 2.503 2.065 3.205 . 0 0 "[ . 1 . 2]" 1
997 1 56 THR HA 1 57 ALA H . . 3.260 2.531 2.184 3.198 . 0 0 "[ . 1 . 2]" 1
998 1 56 THR HA 1 57 ALA MB . . 4.760 4.183 3.729 4.815 0.055 15 0 "[ . 1 . 2]" 1
999 1 56 THR HB 1 57 ALA H . . 4.340 3.696 1.977 4.376 0.036 15 0 "[ . 1 . 2]" 1
1000 1 56 THR HB 1 57 ALA MB . . 5.500 4.619 3.239 5.538 0.038 15 0 "[ . 1 . 2]" 1
1001 1 56 THR MG 1 57 ALA H . . 4.840 3.395 2.030 4.224 . 0 0 "[ . 1 . 2]" 1
1002 1 57 ALA H 1 57 ALA MB . . 3.500 2.565 2.031 2.901 . 0 0 "[ . 1 . 2]" 1
1003 1 57 ALA HA 1 58 PRO HD2 . . 3.240 2.449 1.953 2.507 . 0 0 "[ . 1 . 2]" 1
1004 1 57 ALA HA 1 58 PRO HD3 . . 3.240 2.379 2.344 2.686 . 0 0 "[ . 1 . 2]" 1
1005 1 57 ALA HA 1 58 PRO QG . . 4.790 4.044 3.819 4.071 . 0 0 "[ . 1 . 2]" 1
1006 1 57 ALA MB 1 58 PRO HD2 . . 3.990 2.178 1.954 3.565 . 0 0 "[ . 1 . 2]" 1
1007 1 57 ALA MB 1 58 PRO QD . . 3.380 2.138 1.934 3.368 . 0 0 "[ . 1 . 2]" 1
1008 1 57 ALA MB 1 58 PRO HD3 . . 3.990 3.236 3.089 4.143 0.153 10 0 "[ . 1 . 2]" 1
1009 1 57 ALA MB 1 58 PRO QG . . 4.500 3.591 3.388 4.733 0.233 10 0 "[ . 1 . 2]" 1
1010 1 58 PRO HA 1 59 VAL H . . 2.670 2.395 2.159 2.638 . 0 0 "[ . 1 . 2]" 1
1011 1 58 PRO HA 1 59 VAL QG . . 4.980 3.689 3.122 4.175 . 0 0 "[ . 1 . 2]" 1
1012 1 58 PRO QB 1 59 VAL H . . 4.230 3.261 2.048 3.916 . 0 0 "[ . 1 . 2]" 1
1013 1 59 VAL H 1 59 VAL HB . . 3.820 3.159 2.433 3.822 0.002 18 0 "[ . 1 . 2]" 1
1014 1 59 VAL H 1 59 VAL QG . . 3.280 2.279 1.919 2.985 . 0 0 "[ . 1 . 2]" 1
1015 1 59 VAL H 1 60 ALA H . . 4.750 4.289 2.227 4.641 . 0 0 "[ . 1 . 2]" 1
1016 1 59 VAL HA 1 60 ALA H . . 2.960 2.357 2.141 2.972 0.012 11 0 "[ . 1 . 2]" 1
1017 1 59 VAL HB 1 60 ALA H . . 4.340 3.541 1.949 4.374 0.034 11 0 "[ . 1 . 2]" 1
1018 1 59 VAL QG 1 60 ALA H . . 4.100 2.510 1.900 3.707 . 0 0 "[ . 1 . 2]" 1
1019 1 59 VAL QG 1 60 ALA HA . . 4.820 3.881 3.358 4.410 . 0 0 "[ . 1 . 2]" 1
1020 1 59 VAL QG 1 60 ALA MB . . 4.030 3.536 2.428 4.037 0.007 11 0 "[ . 1 . 2]" 1
1021 1 60 ALA H 1 60 ALA MB . . 3.410 2.307 2.055 2.878 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ALA HA 1 61 GLU H . . 3.320 2.503 2.142 3.393 0.073 15 0 "[ . 1 . 2]" 1
1023 1 60 ALA MB 1 61 GLU H . . 4.230 3.068 1.927 3.718 . 0 0 "[ . 1 . 2]" 1
1024 1 61 GLU H 1 61 GLU QG . . 4.780 3.354 2.037 4.409 . 0 0 "[ . 1 . 2]" 1
1025 1 61 GLU H 1 62 THR H . . 4.910 3.943 2.234 4.617 . 0 0 "[ . 1 . 2]" 1
1026 1 61 GLU HA 1 62 THR H . . 3.520 2.510 2.143 3.481 . 0 0 "[ . 1 . 2]" 1
1027 1 62 THR H 1 62 THR HB . . 4.200 3.505 2.856 3.905 . 0 0 "[ . 1 . 2]" 1
1028 1 62 THR H 1 63 VAL HB . . 5.030 4.786 4.274 5.032 0.002 9 0 "[ . 1 . 2]" 1
1029 1 62 THR HA 1 62 THR MG . . 3.670 2.378 2.033 3.206 . 0 0 "[ . 1 . 2]" 1
1030 1 62 THR HA 1 63 VAL H . . 3.110 2.415 2.142 3.326 0.216 16 0 "[ . 1 . 2]" 1
1031 1 62 THR HA 1 63 VAL QG . . 4.510 3.785 3.481 4.500 . 0 0 "[ . 1 . 2]" 1
1032 1 62 THR HB 1 63 VAL H . . 4.060 3.401 1.950 4.204 0.144 16 0 "[ . 1 . 2]" 1
1033 1 62 THR MG 1 63 VAL H . . 4.580 3.389 1.890 4.227 . 0 0 "[ . 1 . 2]" 1
1034 1 63 VAL H 1 63 VAL HB . . 3.660 3.226 2.618 3.579 . 0 0 "[ . 1 . 2]" 1
1035 1 63 VAL H 1 63 VAL QG . . 3.680 2.406 1.967 2.939 . 0 0 "[ . 1 . 2]" 1
1036 1 63 VAL H 1 64 ASN H . . 5.160 3.932 1.899 4.549 . 0 0 "[ . 1 . 2]" 1
1037 1 63 VAL HB 1 64 ASN H . . 5.160 4.123 3.978 4.455 . 0 0 "[ . 1 . 2]" 1
1038 1 63 VAL QG 1 64 ASN H . . 4.600 2.388 1.965 3.450 . 0 0 "[ . 1 . 2]" 1
1039 1 64 ASN HA 1 65 LEU H . . 3.450 2.462 2.143 2.717 . 0 0 "[ . 1 . 2]" 1
1040 1 64 ASN HB2 1 65 LEU H . . 5.330 3.719 2.352 4.419 . 0 0 "[ . 1 . 2]" 1
1041 1 64 ASN HB3 1 65 LEU H . . 5.330 3.383 2.035 4.650 . 0 0 "[ . 1 . 2]" 1
1042 1 65 LEU H 1 65 LEU QB . . 3.540 2.817 2.186 3.326 . 0 0 "[ . 1 . 2]" 1
1043 1 65 LEU H 1 66 TRP H . . 4.310 4.050 1.979 4.398 0.088 3 0 "[ . 1 . 2]" 1
1044 1 65 LEU HA 1 65 LEU MD1 . . 3.970 3.366 2.135 4.035 0.065 6 0 "[ . 1 . 2]" 1
1045 1 65 LEU HA 1 65 LEU QD . . 3.280 2.632 1.941 3.343 0.063 16 0 "[ . 1 . 2]" 1
1046 1 65 LEU HA 1 65 LEU MD2 . . 3.970 3.119 1.965 4.044 0.074 4 0 "[ . 1 . 2]" 1
1047 1 65 LEU HA 1 66 TRP H . . 3.530 2.307 2.139 2.965 . 0 0 "[ . 1 . 2]" 1
1048 1 65 LEU QB 1 66 TRP H . . 4.380 3.283 2.027 3.982 . 0 0 "[ . 1 . 2]" 1
1049 1 65 LEU HB2 1 66 TRP H . . 5.050 3.894 2.046 4.616 . 0 0 "[ . 1 . 2]" 1
1050 1 65 LEU HB3 1 66 TRP H . . 5.050 3.797 2.160 4.638 . 0 0 "[ . 1 . 2]" 1
1051 1 66 TRP H 1 66 TRP QB . . 3.570 2.631 2.201 3.325 . 0 0 "[ . 1 . 2]" 1
1052 1 66 TRP H 1 66 TRP HD1 . . 4.640 4.041 2.862 4.959 0.319 19 0 "[ . 1 . 2]" 1
1053 1 66 TRP H 1 66 TRP HE3 . . 4.420 3.924 3.140 4.597 0.177 19 0 "[ . 1 . 2]" 1
1054 1 66 TRP HA 1 67 GLU H . . 3.480 2.519 2.141 3.482 0.002 20 0 "[ . 1 . 2]" 1
1055 1 66 TRP QB 1 67 GLU H . . 4.140 3.045 1.996 3.913 . 0 0 "[ . 1 . 2]" 1
1056 1 66 TRP HB2 1 67 GLU H . . 4.820 3.777 2.126 4.544 . 0 0 "[ . 1 . 2]" 1
1057 1 66 TRP HB3 1 67 GLU H . . 4.820 3.402 2.015 4.415 . 0 0 "[ . 1 . 2]" 1
1058 1 67 GLU H 1 67 GLU QG . . 4.090 3.244 1.932 4.160 0.070 16 0 "[ . 1 . 2]" 1
1059 1 67 GLU H 1 68 VAL H . . 3.940 3.301 1.955 3.941 0.001 15 0 "[ . 1 . 2]" 1
1060 1 67 GLU H 1 68 VAL HA . . 4.970 4.586 4.089 4.933 . 0 0 "[ . 1 . 2]" 1
1061 1 67 GLU H 1 68 VAL MG1 . . 5.500 4.161 3.389 5.514 0.014 16 0 "[ . 1 . 2]" 1
1062 1 67 GLU H 1 68 VAL MG2 . . 5.500 4.913 2.748 5.508 0.008 4 0 "[ . 1 . 2]" 1
1063 1 67 GLU HA 1 68 VAL H . . 3.110 2.485 2.138 3.111 0.001 16 0 "[ . 1 . 2]" 1
1064 1 67 GLU QB 1 68 VAL H . . 4.410 3.743 3.214 4.035 . 0 0 "[ . 1 . 2]" 1
1065 1 67 GLU QB 1 69 GLU H . . 5.220 4.472 2.804 5.225 0.005 14 0 "[ . 1 . 2]" 1
1066 1 68 VAL H 1 68 VAL MG1 . . 4.720 2.652 1.939 3.967 . 0 0 "[ . 1 . 2]" 1
1067 1 68 VAL H 1 68 VAL QG . . 4.100 2.111 1.892 2.802 . 0 0 "[ . 1 . 2]" 1
1068 1 68 VAL H 1 68 VAL MG2 . . 4.720 2.957 1.917 3.971 . 0 0 "[ . 1 . 2]" 1
1069 1 68 VAL H 1 69 GLU H . . 4.080 2.678 1.913 4.088 0.008 14 0 "[ . 1 . 2]" 1
1070 1 68 VAL H 1 69 GLU QB . . 4.110 3.980 3.527 4.217 0.107 16 0 "[ . 1 . 2]" 1
1071 1 68 VAL HA 1 69 GLU H . . 3.510 2.988 2.142 3.505 . 0 0 "[ . 1 . 2]" 1
1072 1 68 VAL HB 1 69 GLU H . . 5.380 4.196 3.771 4.493 . 0 0 "[ . 1 . 2]" 1
1073 1 68 VAL QG 1 69 GLU H . . 4.430 2.795 1.927 3.702 . 0 0 "[ . 1 . 2]" 1
1074 1 68 VAL MG1 1 69 GLU H . . 5.110 3.478 1.995 4.372 . 0 0 "[ . 1 . 2]" 1
1075 1 68 VAL MG2 1 69 GLU H . . 5.110 3.536 1.931 4.340 . 0 0 "[ . 1 . 2]" 1
1076 1 69 GLU H 1 69 GLU QB . . 3.430 2.560 2.139 3.324 . 0 0 "[ . 1 . 2]" 1
1077 1 69 GLU H 1 69 GLU QG . . 4.730 3.776 2.183 4.326 . 0 0 "[ . 1 . 2]" 1
1078 1 69 GLU H 1 70 HIS H . . 4.330 3.818 2.763 4.310 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 1:29:13 PM GMT (wattos1)