NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451244 |
2roe   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2roe
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 1661
_Distance_constraint_stats_list.Viol_count 2066
_Distance_constraint_stats_list.Viol_total 2227.013
_Distance_constraint_stats_list.Viol_max 0.131
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0539
_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 1.987 0.112 16 0 "[ . 1 . 2]"
1 2 LEU 4.076 0.097 14 0 "[ . 1 . 2]"
1 3 LYS 3.923 0.100 12 0 "[ . 1 . 2]"
1 4 LEU 8.352 0.106 11 0 "[ . 1 . 2]"
1 5 LYS 3.291 0.106 11 0 "[ . 1 . 2]"
1 6 VAL 7.573 0.099 1 0 "[ . 1 . 2]"
1 7 GLU 3.342 0.099 1 0 "[ . 1 . 2]"
1 8 GLY 0.106 0.073 18 0 "[ . 1 . 2]"
1 9 MET 5.009 0.106 2 0 "[ . 1 . 2]"
1 10 THR 0.631 0.084 5 0 "[ . 1 . 2]"
1 11 CYS 0.357 0.064 5 0 "[ . 1 . 2]"
1 12 ASN 0.180 0.064 3 0 "[ . 1 . 2]"
1 13 HIS 1.107 0.076 11 0 "[ . 1 . 2]"
1 14 CYS 0.533 0.058 3 0 "[ . 1 . 2]"
1 15 VAL 2.452 0.114 19 0 "[ . 1 . 2]"
1 16 MET 5.434 0.117 12 0 "[ . 1 . 2]"
1 17 ALA 1.604 0.106 12 0 "[ . 1 . 2]"
1 18 VAL 2.663 0.131 20 0 "[ . 1 . 2]"
1 19 THR 6.645 0.120 12 0 "[ . 1 . 2]"
1 20 LYS 3.524 0.092 3 0 "[ . 1 . 2]"
1 21 ALA 4.750 0.108 20 0 "[ . 1 . 2]"
1 22 LEU 6.488 0.103 1 0 "[ . 1 . 2]"
1 23 LYS 7.745 0.096 18 0 "[ . 1 . 2]"
1 24 LYS 1.850 0.096 17 0 "[ . 1 . 2]"
1 25 VAL 6.810 0.095 17 0 "[ . 1 . 2]"
1 26 PRO 0.755 0.080 10 0 "[ . 1 . 2]"
1 27 GLY 1.278 0.082 7 0 "[ . 1 . 2]"
1 28 VAL 7.157 0.106 20 0 "[ . 1 . 2]"
1 29 GLU 2.331 0.096 14 0 "[ . 1 . 2]"
1 30 LYS 3.620 0.102 7 0 "[ . 1 . 2]"
1 31 VAL 5.349 0.120 12 0 "[ . 1 . 2]"
1 32 GLU 1.312 0.100 17 0 "[ . 1 . 2]"
1 33 VAL 2.412 0.114 19 0 "[ . 1 . 2]"
1 34 SER 3.278 0.099 4 0 "[ . 1 . 2]"
1 35 LEU 1.453 0.106 2 0 "[ . 1 . 2]"
1 36 GLU 2.151 0.088 1 0 "[ . 1 . 2]"
1 37 LYS 3.135 0.088 1 0 "[ . 1 . 2]"
1 38 GLY 1.135 0.090 14 0 "[ . 1 . 2]"
1 39 GLU 3.001 0.100 13 0 "[ . 1 . 2]"
1 40 ALA 2.622 0.104 1 0 "[ . 1 . 2]"
1 41 LEU 4.232 0.112 16 0 "[ . 1 . 2]"
1 42 VAL 4.054 0.093 13 0 "[ . 1 . 2]"
1 43 GLU 2.192 0.081 19 0 "[ . 1 . 2]"
1 44 GLY 0.597 0.063 16 0 "[ . 1 . 2]"
1 45 THR 2.377 0.083 13 0 "[ . 1 . 2]"
1 46 ALA 4.960 0.106 20 0 "[ . 1 . 2]"
1 47 ASP 4.666 0.104 5 0 "[ . 1 . 2]"
1 48 PRO 3.886 0.104 5 0 "[ . 1 . 2]"
1 49 LYS 2.849 0.093 3 0 "[ . 1 . 2]"
1 50 ALA 4.375 0.097 4 0 "[ . 1 . 2]"
1 51 LEU 5.144 0.095 20 0 "[ . 1 . 2]"
1 52 VAL 6.140 0.098 9 0 "[ . 1 . 2]"
1 53 GLN 2.718 0.071 12 0 "[ . 1 . 2]"
1 54 ALA 2.113 0.090 8 0 "[ . 1 . 2]"
1 55 VAL 4.483 0.131 20 0 "[ . 1 . 2]"
1 56 GLU 3.938 0.098 15 0 "[ . 1 . 2]"
1 57 GLU 1.063 0.089 4 0 "[ . 1 . 2]"
1 58 GLU 2.914 0.106 12 0 "[ . 1 . 2]"
1 59 GLY 0.174 0.048 13 0 "[ . 1 . 2]"
1 60 TYR 5.017 0.088 19 0 "[ . 1 . 2]"
1 61 LYS 1.975 0.095 6 0 "[ . 1 . 2]"
1 62 ALA 4.069 0.098 9 0 "[ . 1 . 2]"
1 63 GLU 4.100 0.090 12 0 "[ . 1 . 2]"
1 64 VAL 1.771 0.100 12 0 "[ . 1 . 2]"
1 65 LEU 1.976 0.081 9 0 "[ . 1 . 2]"
1 66 ALA 2.164 0.083 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET ME . . 5.020 4.301 3.595 4.753 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET QG . . 3.770 2.550 2.172 3.373 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 LEU H . . 2.480 2.202 2.068 2.344 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 2 LEU QD . . 5.340 4.732 3.452 5.171 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 2 LEU HG . . 5.500 4.925 4.362 5.574 0.074 2 0 "[ . 1 . 2]" 1
6 1 1 MET HA 1 41 LEU QB . . 5.500 5.134 4.610 5.556 0.056 1 0 "[ . 1 . 2]" 1
7 1 1 MET HA 1 41 LEU QD . . 5.440 4.968 4.173 5.534 0.094 13 0 "[ . 1 . 2]" 1
8 1 1 MET HA 1 42 VAL H . . 4.610 4.152 3.874 4.607 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET HA 1 43 GLU HA . . 3.450 2.979 2.404 3.357 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET HA 1 43 GLU QG . . 4.640 4.408 3.681 4.710 0.070 12 0 "[ . 1 . 2]" 1
11 1 1 MET QB 1 2 LEU H . . 4.030 3.754 2.951 4.091 0.061 19 0 "[ . 1 . 2]" 1
12 1 1 MET QB 1 41 LEU QB . . 5.120 4.476 3.089 5.221 0.101 4 0 "[ . 1 . 2]" 1
13 1 1 MET QB 1 41 LEU QD . . 5.440 3.822 2.262 5.011 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET QB 1 42 VAL H . . 5.500 4.746 3.263 5.521 0.021 12 0 "[ . 1 . 2]" 1
15 1 1 MET ME 1 41 LEU HA . . 4.580 4.330 3.753 4.645 0.065 4 0 "[ . 1 . 2]" 1
16 1 1 MET ME 1 41 LEU QD . . 3.050 2.368 1.883 3.162 0.112 16 0 "[ . 1 . 2]" 1
17 1 1 MET QG 1 2 LEU H . . 4.080 3.257 2.360 4.100 0.020 17 0 "[ . 1 . 2]" 1
18 1 1 MET QG 1 2 LEU HA . . 5.500 4.516 3.373 5.580 0.080 3 0 "[ . 1 . 2]" 1
19 1 1 MET QG 1 41 LEU QB . . 4.900 2.988 2.191 3.768 . 0 0 "[ . 1 . 2]" 1
20 1 1 MET QG 1 41 LEU MD1 . . 5.380 3.476 2.109 5.255 . 0 0 "[ . 1 . 2]" 1
21 1 1 MET QG 1 41 LEU QD . . 3.960 2.639 2.105 3.482 . 0 0 "[ . 1 . 2]" 1
22 1 1 MET QG 1 41 LEU MD2 . . 5.380 3.945 2.317 5.456 0.076 3 0 "[ . 1 . 2]" 1
23 1 1 MET QG 1 42 VAL H . . 4.690 3.351 2.630 4.593 . 0 0 "[ . 1 . 2]" 1
24 1 2 LEU H 1 2 LEU HB2 . . 3.650 2.253 2.047 2.680 . 0 0 "[ . 1 . 2]" 1
25 1 2 LEU H 1 2 LEU QB . . 3.070 2.223 2.029 2.590 . 0 0 "[ . 1 . 2]" 1
26 1 2 LEU H 1 2 LEU HB3 . . 3.650 3.461 3.294 3.701 0.051 12 0 "[ . 1 . 2]" 1
27 1 2 LEU H 1 2 LEU QD . . 4.570 3.468 2.244 3.998 . 0 0 "[ . 1 . 2]" 1
28 1 2 LEU H 1 2 LEU HG . . 4.960 3.423 2.744 4.197 . 0 0 "[ . 1 . 2]" 1
29 1 2 LEU H 1 41 LEU HA . . 5.500 4.898 4.061 5.365 . 0 0 "[ . 1 . 2]" 1
30 1 2 LEU H 1 41 LEU QB . . 5.500 4.945 3.932 5.565 0.065 11 0 "[ . 1 . 2]" 1
31 1 2 LEU H 1 42 VAL H . . 3.350 3.076 2.500 3.418 0.068 10 0 "[ . 1 . 2]" 1
32 1 2 LEU H 1 42 VAL HB . . 4.470 3.116 2.501 3.626 . 0 0 "[ . 1 . 2]" 1
33 1 2 LEU H 1 42 VAL MG1 . . 5.190 3.940 3.466 4.440 . 0 0 "[ . 1 . 2]" 1
34 1 2 LEU H 1 42 VAL QG . . 4.550 3.647 3.134 3.943 . 0 0 "[ . 1 . 2]" 1
35 1 2 LEU H 1 42 VAL MG2 . . 5.190 4.463 3.253 5.063 . 0 0 "[ . 1 . 2]" 1
36 1 2 LEU HA 1 2 LEU QD . . 3.180 2.222 2.070 2.880 . 0 0 "[ . 1 . 2]" 1
37 1 2 LEU HA 1 2 LEU HG . . 3.560 2.443 2.107 2.677 . 0 0 "[ . 1 . 2]" 1
38 1 2 LEU HA 1 3 LYS H . . 2.500 2.289 2.122 2.585 0.085 4 0 "[ . 1 . 2]" 1
39 1 2 LEU QB 1 3 LYS H . . 3.780 2.757 1.703 3.407 . 0 0 "[ . 1 . 2]" 1
40 1 2 LEU QB 1 4 LEU QD . . 5.340 3.724 2.461 4.586 . 0 0 "[ . 1 . 2]" 1
41 1 2 LEU QB 1 42 VAL H . . 4.190 3.428 3.058 3.855 . 0 0 "[ . 1 . 2]" 1
42 1 2 LEU QB 1 42 VAL HB . . 3.740 2.410 2.134 2.847 . 0 0 "[ . 1 . 2]" 1
43 1 2 LEU QB 1 48 PRO HA . . 5.340 4.219 3.895 4.614 . 0 0 "[ . 1 . 2]" 1
44 1 2 LEU QB 1 51 LEU MD1 . . 3.490 2.667 2.113 2.979 . 0 0 "[ . 1 . 2]" 1
45 1 2 LEU QB 1 51 LEU MD2 . . 5.340 4.465 3.967 4.723 . 0 0 "[ . 1 . 2]" 1
46 1 2 LEU QB 1 64 VAL QG . . 5.100 3.751 3.055 4.278 . 0 0 "[ . 1 . 2]" 1
47 1 2 LEU HB2 1 42 VAL HB . . 4.320 2.479 2.145 2.961 . 0 0 "[ . 1 . 2]" 1
48 1 2 LEU HB2 1 51 LEU MD1 . . 3.980 3.014 2.447 3.365 . 0 0 "[ . 1 . 2]" 1
49 1 2 LEU HB3 1 42 VAL HB . . 4.320 3.462 2.659 4.364 0.044 16 0 "[ . 1 . 2]" 1
50 1 2 LEU HB3 1 51 LEU MD1 . . 3.980 3.019 2.311 3.566 . 0 0 "[ . 1 . 2]" 1
51 1 2 LEU QD 1 3 LYS H . . 3.680 2.542 1.925 3.682 0.002 2 0 "[ . 1 . 2]" 1
52 1 2 LEU QD 1 3 LYS QB . . 5.340 4.124 3.540 4.989 . 0 0 "[ . 1 . 2]" 1
53 1 2 LEU QD 1 4 LEU HA . . 5.410 5.228 4.770 5.506 0.096 2 0 "[ . 1 . 2]" 1
54 1 2 LEU QD 1 4 LEU HB2 . . 5.500 5.412 5.198 5.591 0.091 15 0 "[ . 1 . 2]" 1
55 1 2 LEU QD 1 4 LEU HG . . 4.650 4.223 3.800 4.747 0.097 14 0 "[ . 1 . 2]" 1
56 1 2 LEU QD 1 48 PRO HA . . 3.420 2.399 2.179 2.777 . 0 0 "[ . 1 . 2]" 1
57 1 2 LEU QD 1 48 PRO QB . . 3.540 2.042 1.950 2.143 . 0 0 "[ . 1 . 2]" 1
58 1 2 LEU QD 1 48 PRO QD . . 4.360 2.100 1.945 2.498 . 0 0 "[ . 1 . 2]" 1
59 1 2 LEU QD 1 48 PRO HG2 . . 4.330 3.809 3.571 4.163 . 0 0 "[ . 1 . 2]" 1
60 1 2 LEU QD 1 48 PRO HG3 . . 3.970 2.786 2.464 3.270 . 0 0 "[ . 1 . 2]" 1
61 1 2 LEU QD 1 51 LEU H . . 5.190 4.821 4.477 5.061 . 0 0 "[ . 1 . 2]" 1
62 1 2 LEU QD 1 52 VAL H . . 5.350 5.357 5.034 5.446 0.096 9 0 "[ . 1 . 2]" 1
63 1 2 LEU QD 1 66 ALA H . . 4.780 4.357 3.729 4.837 0.057 13 0 "[ . 1 . 2]" 1
64 1 2 LEU QD 1 66 ALA HA . . 5.450 4.438 3.281 5.511 0.061 16 0 "[ . 1 . 2]" 1
65 1 2 LEU HG 1 3 LYS H . . 4.150 4.109 3.382 4.222 0.072 14 0 "[ . 1 . 2]" 1
66 1 2 LEU HG 1 42 VAL QG . . 5.100 4.880 4.532 5.177 0.077 16 0 "[ . 1 . 2]" 1
67 1 3 LYS H 1 3 LYS HB2 . . 3.880 2.669 2.272 3.249 . 0 0 "[ . 1 . 2]" 1
68 1 3 LYS H 1 3 LYS QB . . 3.110 2.501 2.246 2.907 . 0 0 "[ . 1 . 2]" 1
69 1 3 LYS H 1 3 LYS HB3 . . 3.880 3.413 2.564 3.780 . 0 0 "[ . 1 . 2]" 1
70 1 3 LYS H 1 3 LYS QG . . 4.290 3.513 2.517 4.261 . 0 0 "[ . 1 . 2]" 1
71 1 3 LYS H 1 4 LEU H . . 4.600 4.393 4.199 4.638 0.038 10 0 "[ . 1 . 2]" 1
72 1 3 LYS H 1 4 LEU QD . . 5.390 4.799 3.369 5.407 0.017 10 0 "[ . 1 . 2]" 1
73 1 3 LYS H 1 41 LEU HA . . 5.500 5.008 4.588 5.315 . 0 0 "[ . 1 . 2]" 1
74 1 3 LYS H 1 64 VAL QG . . 4.020 3.634 3.244 4.050 0.030 18 0 "[ . 1 . 2]" 1
75 1 3 LYS H 1 65 LEU QB . . 5.340 4.560 4.156 5.170 . 0 0 "[ . 1 . 2]" 1
76 1 3 LYS H 1 66 ALA H . . 5.390 5.157 4.027 5.470 0.080 9 0 "[ . 1 . 2]" 1
77 1 3 LYS H 1 66 ALA MB . . 4.730 3.518 2.155 4.773 0.043 15 0 "[ . 1 . 2]" 1
78 1 3 LYS HA 1 3 LYS HG2 . . 4.080 2.877 2.272 3.766 . 0 0 "[ . 1 . 2]" 1
79 1 3 LYS HA 1 3 LYS QG . . 3.530 2.390 2.219 2.597 . 0 0 "[ . 1 . 2]" 1
80 1 3 LYS HA 1 3 LYS HG3 . . 4.080 2.755 2.350 3.363 . 0 0 "[ . 1 . 2]" 1
81 1 3 LYS HA 1 4 LEU H . . 2.460 2.202 2.077 2.367 . 0 0 "[ . 1 . 2]" 1
82 1 3 LYS HA 1 4 LEU QD . . 5.010 4.639 3.697 5.046 0.036 12 0 "[ . 1 . 2]" 1
83 1 3 LYS HA 1 40 ALA MB . . 5.500 5.101 4.747 5.492 . 0 0 "[ . 1 . 2]" 1
84 1 3 LYS HA 1 41 LEU HA . . 3.120 2.801 2.410 3.187 0.067 4 0 "[ . 1 . 2]" 1
85 1 3 LYS HA 1 41 LEU QB . . 5.410 4.324 3.619 5.024 . 0 0 "[ . 1 . 2]" 1
86 1 3 LYS HA 1 41 LEU MD1 . . 4.350 3.291 2.157 4.444 0.094 13 0 "[ . 1 . 2]" 1
87 1 3 LYS HA 1 41 LEU QD . . 3.820 2.678 2.030 3.876 0.056 4 0 "[ . 1 . 2]" 1
88 1 3 LYS HA 1 41 LEU MD2 . . 4.350 3.269 2.033 4.428 0.078 9 0 "[ . 1 . 2]" 1
89 1 3 LYS HA 1 42 VAL H . . 4.460 4.140 3.655 4.517 0.057 4 0 "[ . 1 . 2]" 1
90 1 3 LYS HA 1 42 VAL QG . . 5.440 4.802 3.453 5.470 0.030 6 0 "[ . 1 . 2]" 1
91 1 3 LYS HA 1 64 VAL QG . . 5.440 5.178 4.839 5.540 0.100 12 0 "[ . 1 . 2]" 1
92 1 3 LYS HA 1 65 LEU QB . . 5.500 4.621 4.104 5.029 . 0 0 "[ . 1 . 2]" 1
93 1 3 LYS QB 1 3 LYS QE . . 4.320 3.133 1.987 3.947 . 0 0 "[ . 1 . 2]" 1
94 1 3 LYS QB 1 4 LEU HA . . 5.330 4.255 3.885 4.707 . 0 0 "[ . 1 . 2]" 1
95 1 3 LYS QB 1 41 LEU QD . . 5.280 3.319 2.448 4.642 . 0 0 "[ . 1 . 2]" 1
96 1 3 LYS QB 1 64 VAL QG . . 5.280 4.158 3.692 4.618 . 0 0 "[ . 1 . 2]" 1
97 1 3 LYS QB 1 65 LEU H . . 4.510 3.370 2.986 3.672 . 0 0 "[ . 1 . 2]" 1
98 1 3 LYS QB 1 66 ALA H . . 5.060 4.637 3.396 5.133 0.073 14 0 "[ . 1 . 2]" 1
99 1 3 LYS HB2 1 3 LYS QE . . 4.980 3.563 2.098 4.293 . 0 0 "[ . 1 . 2]" 1
100 1 3 LYS HB2 1 4 LEU H . . 4.490 4.209 3.713 4.510 0.020 6 0 "[ . 1 . 2]" 1
101 1 3 LYS HB2 1 65 LEU MD1 . . 5.500 4.275 3.424 5.281 . 0 0 "[ . 1 . 2]" 1
102 1 3 LYS HB3 1 3 LYS QE . . 4.980 3.699 2.013 4.606 . 0 0 "[ . 1 . 2]" 1
103 1 3 LYS HB3 1 4 LEU H . . 4.490 3.393 2.643 4.264 . 0 0 "[ . 1 . 2]" 1
104 1 3 LYS HB3 1 65 LEU MD1 . . 5.500 3.271 2.116 4.248 . 0 0 "[ . 1 . 2]" 1
105 1 3 LYS QD 1 65 LEU MD1 . . 5.150 3.757 2.287 5.220 0.070 18 0 "[ . 1 . 2]" 1
106 1 3 LYS QE 1 41 LEU MD1 . . 5.500 3.952 2.311 5.560 0.060 6 0 "[ . 1 . 2]" 1
107 1 3 LYS QE 1 41 LEU MD2 . . 5.500 3.967 1.857 5.584 0.084 5 0 "[ . 1 . 2]" 1
108 1 3 LYS QG 1 4 LEU H . . 3.970 3.561 2.340 4.051 0.081 12 0 "[ . 1 . 2]" 1
109 1 3 LYS QG 1 41 LEU HA . . 4.560 4.086 3.451 4.622 0.062 2 0 "[ . 1 . 2]" 1
110 1 3 LYS QG 1 41 LEU QD . . 3.580 2.287 1.886 3.479 . 0 0 "[ . 1 . 2]" 1
111 1 3 LYS QG 1 65 LEU QB . . 4.970 3.582 2.134 4.486 . 0 0 "[ . 1 . 2]" 1
112 1 3 LYS QG 1 65 LEU MD1 . . 5.340 3.735 2.186 5.217 . 0 0 "[ . 1 . 2]" 1
113 1 3 LYS HG2 1 41 LEU MD1 . . 5.500 3.497 2.042 4.795 . 0 0 "[ . 1 . 2]" 1
114 1 3 LYS HG2 1 41 LEU MD2 . . 5.500 3.600 1.987 5.369 . 0 0 "[ . 1 . 2]" 1
115 1 3 LYS HG3 1 41 LEU MD1 . . 5.500 3.362 2.059 5.283 . 0 0 "[ . 1 . 2]" 1
116 1 3 LYS HG3 1 41 LEU MD2 . . 5.500 3.438 2.217 5.529 0.029 7 0 "[ . 1 . 2]" 1
117 1 4 LEU H 1 4 LEU HB2 . . 3.660 2.540 2.316 2.813 . 0 0 "[ . 1 . 2]" 1
118 1 4 LEU H 1 4 LEU HB3 . . 3.670 3.496 3.359 3.621 . 0 0 "[ . 1 . 2]" 1
119 1 4 LEU H 1 4 LEU QD . . 4.000 3.779 3.012 4.056 0.056 10 0 "[ . 1 . 2]" 1
120 1 4 LEU H 1 4 LEU HG . . 4.170 3.976 3.704 4.231 0.061 14 0 "[ . 1 . 2]" 1
121 1 4 LEU H 1 39 GLU QG . . 5.340 4.711 3.860 5.397 0.057 7 0 "[ . 1 . 2]" 1
122 1 4 LEU H 1 40 ALA MB . . 3.930 3.744 3.290 4.010 0.080 1 0 "[ . 1 . 2]" 1
123 1 4 LEU H 1 41 LEU H . . 5.450 5.090 4.792 5.353 . 0 0 "[ . 1 . 2]" 1
124 1 4 LEU H 1 41 LEU HA . . 3.950 3.635 3.147 3.946 . 0 0 "[ . 1 . 2]" 1
125 1 4 LEU H 1 41 LEU QD . . 4.070 3.387 2.365 4.163 0.093 17 0 "[ . 1 . 2]" 1
126 1 4 LEU HA 1 4 LEU QD . . 3.400 2.379 2.085 2.797 . 0 0 "[ . 1 . 2]" 1
127 1 4 LEU HA 1 4 LEU HG . . 3.920 2.521 2.076 3.718 . 0 0 "[ . 1 . 2]" 1
128 1 4 LEU HA 1 5 LYS H . . 2.570 2.212 2.073 2.290 . 0 0 "[ . 1 . 2]" 1
129 1 4 LEU HA 1 5 LYS HB2 . . 5.500 4.250 3.952 4.500 . 0 0 "[ . 1 . 2]" 1
130 1 4 LEU HA 1 5 LYS HB3 . . 5.230 4.535 4.261 4.907 . 0 0 "[ . 1 . 2]" 1
131 1 4 LEU HA 1 63 GLU H . . 4.380 4.261 4.014 4.442 0.062 19 0 "[ . 1 . 2]" 1
132 1 4 LEU HA 1 63 GLU HA . . 5.500 5.518 5.363 5.568 0.068 15 0 "[ . 1 . 2]" 1
133 1 4 LEU HA 1 64 VAL HA . . 3.100 2.367 2.141 2.697 . 0 0 "[ . 1 . 2]" 1
134 1 4 LEU HA 1 64 VAL MG1 . . 5.350 4.576 3.578 5.302 . 0 0 "[ . 1 . 2]" 1
135 1 4 LEU HA 1 64 VAL QG . . 4.120 3.590 3.272 3.993 . 0 0 "[ . 1 . 2]" 1
136 1 4 LEU HA 1 64 VAL MG2 . . 5.350 3.871 3.316 4.231 . 0 0 "[ . 1 . 2]" 1
137 1 4 LEU HA 1 65 LEU H . . 3.320 2.966 2.585 3.382 0.062 7 0 "[ . 1 . 2]" 1
138 1 4 LEU HA 1 65 LEU QB . . 5.500 4.050 3.648 4.492 . 0 0 "[ . 1 . 2]" 1
139 1 4 LEU HA 1 65 LEU MD1 . . 5.500 4.156 3.189 4.565 . 0 0 "[ . 1 . 2]" 1
140 1 4 LEU HA 1 65 LEU MD2 . . 5.500 4.751 4.375 5.369 . 0 0 "[ . 1 . 2]" 1
141 1 4 LEU HA 1 65 LEU HG . . 4.400 3.358 2.878 4.022 . 0 0 "[ . 1 . 2]" 1
142 1 4 LEU HB2 1 5 LYS H . . 4.370 4.174 3.820 4.438 0.068 12 0 "[ . 1 . 2]" 1
143 1 4 LEU HB2 1 40 ALA H . . 4.280 3.465 3.189 3.898 . 0 0 "[ . 1 . 2]" 1
144 1 4 LEU HB2 1 40 ALA MB . . 2.850 2.412 2.155 2.898 0.048 6 0 "[ . 1 . 2]" 1
145 1 4 LEU HB2 1 51 LEU MD1 . . 4.990 4.869 3.893 5.074 0.084 12 0 "[ . 1 . 2]" 1
146 1 4 LEU HB2 1 55 VAL QG . . 5.500 4.764 4.436 5.181 . 0 0 "[ . 1 . 2]" 1
147 1 4 LEU HB2 1 64 VAL HA . . 5.080 4.830 4.447 5.141 0.061 18 0 "[ . 1 . 2]" 1
148 1 4 LEU HB3 1 5 LYS H . . 3.950 2.995 2.456 3.520 . 0 0 "[ . 1 . 2]" 1
149 1 4 LEU HB3 1 6 VAL H . . 4.740 4.804 4.690 4.830 0.090 4 0 "[ . 1 . 2]" 1
150 1 4 LEU HB3 1 6 VAL QG . . 4.330 3.097 2.702 3.502 . 0 0 "[ . 1 . 2]" 1
151 1 4 LEU HB3 1 22 LEU QD . . 5.440 4.056 3.571 4.488 . 0 0 "[ . 1 . 2]" 1
152 1 4 LEU HB3 1 39 GLU HA . . 5.500 4.719 4.319 5.084 . 0 0 "[ . 1 . 2]" 1
153 1 4 LEU HB3 1 40 ALA H . . 3.700 3.637 3.215 3.768 0.068 14 0 "[ . 1 . 2]" 1
154 1 4 LEU HB3 1 40 ALA MB . . 3.790 2.613 2.304 2.970 . 0 0 "[ . 1 . 2]" 1
155 1 4 LEU HB3 1 63 GLU H . . 4.430 4.200 3.714 4.491 0.061 20 0 "[ . 1 . 2]" 1
156 1 4 LEU QD 1 5 LYS H . . 4.090 2.608 2.180 2.901 . 0 0 "[ . 1 . 2]" 1
157 1 4 LEU QD 1 5 LYS HB2 . . 4.900 4.885 4.598 5.006 0.106 11 0 "[ . 1 . 2]" 1
158 1 4 LEU QD 1 40 ALA H . . 4.750 4.561 4.234 4.725 . 0 0 "[ . 1 . 2]" 1
159 1 4 LEU QD 1 42 VAL H . . 5.500 5.114 4.241 5.592 0.092 20 0 "[ . 1 . 2]" 1
160 1 4 LEU QD 1 48 PRO HA . . 4.150 3.801 3.158 4.250 0.100 7 0 "[ . 1 . 2]" 1
161 1 4 LEU QD 1 51 LEU HA . . 4.570 3.922 3.620 4.644 0.074 14 0 "[ . 1 . 2]" 1
162 1 4 LEU QD 1 51 LEU HB2 . . 3.750 2.595 2.057 3.100 . 0 0 "[ . 1 . 2]" 1
163 1 4 LEU QD 1 51 LEU HB3 . . 3.500 2.178 2.022 2.963 . 0 0 "[ . 1 . 2]" 1
164 1 4 LEU QD 1 52 VAL H . . 3.970 2.897 2.495 3.303 . 0 0 "[ . 1 . 2]" 1
165 1 4 LEU QD 1 52 VAL HA . . 3.970 2.390 2.158 2.673 . 0 0 "[ . 1 . 2]" 1
166 1 4 LEU QD 1 52 VAL HB . . 4.090 2.332 2.023 3.985 . 0 0 "[ . 1 . 2]" 1
167 1 4 LEU QD 1 52 VAL QG . . 3.590 2.243 1.878 2.876 . 0 0 "[ . 1 . 2]" 1
168 1 4 LEU QD 1 54 ALA H . . 5.500 5.244 4.886 5.576 0.076 5 0 "[ . 1 . 2]" 1
169 1 4 LEU QD 1 55 VAL H . . 5.000 4.596 4.256 5.047 0.047 14 0 "[ . 1 . 2]" 1
170 1 4 LEU QD 1 62 ALA MB . . 3.060 2.152 1.927 2.486 . 0 0 "[ . 1 . 2]" 1
171 1 4 LEU QD 1 63 GLU H . . 4.470 2.536 2.095 3.182 . 0 0 "[ . 1 . 2]" 1
172 1 4 LEU QD 1 64 VAL H . . 4.580 3.334 2.989 3.937 . 0 0 "[ . 1 . 2]" 1
173 1 4 LEU QD 1 64 VAL HA . . 3.470 2.443 1.952 2.994 . 0 0 "[ . 1 . 2]" 1
174 1 4 LEU QD 1 64 VAL HB . . 5.100 3.531 2.298 4.635 . 0 0 "[ . 1 . 2]" 1
175 1 4 LEU QD 1 65 LEU H . . 4.290 3.988 2.940 4.371 0.081 9 0 "[ . 1 . 2]" 1
176 1 4 LEU HG 1 5 LYS H . . 4.810 4.192 3.553 4.869 0.059 14 0 "[ . 1 . 2]" 1
177 1 4 LEU HG 1 64 VAL HA . . 4.360 2.943 2.081 4.431 0.071 14 0 "[ . 1 . 2]" 1
178 1 4 LEU HG 1 64 VAL QG . . 5.420 2.974 2.265 4.600 . 0 0 "[ . 1 . 2]" 1
179 1 5 LYS H 1 5 LYS HB2 . . 3.150 2.782 2.584 3.029 . 0 0 "[ . 1 . 2]" 1
180 1 5 LYS H 1 5 LYS HB3 . . 2.990 2.538 2.281 2.751 . 0 0 "[ . 1 . 2]" 1
181 1 5 LYS H 1 6 VAL H . . 5.130 4.290 4.217 4.443 . 0 0 "[ . 1 . 2]" 1
182 1 5 LYS H 1 6 VAL QG . . 5.260 4.182 3.922 4.425 . 0 0 "[ . 1 . 2]" 1
183 1 5 LYS H 1 40 ALA MB . . 5.500 4.967 4.592 5.557 0.057 6 0 "[ . 1 . 2]" 1
184 1 5 LYS H 1 62 ALA HA . . 5.230 4.471 4.187 4.879 . 0 0 "[ . 1 . 2]" 1
185 1 5 LYS H 1 62 ALA MB . . 4.720 4.147 3.824 4.495 . 0 0 "[ . 1 . 2]" 1
186 1 5 LYS H 1 63 GLU H . . 3.270 2.718 2.396 3.030 . 0 0 "[ . 1 . 2]" 1
187 1 5 LYS H 1 63 GLU QB . . 5.260 4.205 3.430 4.936 . 0 0 "[ . 1 . 2]" 1
188 1 5 LYS H 1 63 GLU HG2 . . 5.500 4.475 3.624 5.294 . 0 0 "[ . 1 . 2]" 1
189 1 5 LYS H 1 63 GLU QG . . 4.740 4.058 3.172 4.795 0.055 18 0 "[ . 1 . 2]" 1
190 1 5 LYS H 1 63 GLU HG3 . . 5.500 4.740 3.504 5.567 0.067 4 0 "[ . 1 . 2]" 1
191 1 5 LYS H 1 64 VAL HA . . 4.380 3.606 3.346 3.915 . 0 0 "[ . 1 . 2]" 1
192 1 5 LYS H 1 65 LEU H . . 4.770 4.383 3.649 4.807 0.037 18 0 "[ . 1 . 2]" 1
193 1 5 LYS H 1 65 LEU MD1 . . 4.750 3.969 3.458 4.316 . 0 0 "[ . 1 . 2]" 1
194 1 5 LYS H 1 65 LEU MD2 . . 5.220 4.249 3.762 5.150 . 0 0 "[ . 1 . 2]" 1
195 1 5 LYS H 1 65 LEU HG . . 3.860 3.216 2.630 3.859 . 0 0 "[ . 1 . 2]" 1
196 1 5 LYS HA 1 5 LYS QD . . 4.950 3.522 2.159 4.220 . 0 0 "[ . 1 . 2]" 1
197 1 5 LYS HA 1 5 LYS QG . . 3.230 2.453 2.268 2.976 . 0 0 "[ . 1 . 2]" 1
198 1 5 LYS HA 1 6 VAL H . . 2.740 2.201 2.119 2.336 . 0 0 "[ . 1 . 2]" 1
199 1 5 LYS HA 1 6 VAL HB . . 5.330 4.813 4.575 5.173 . 0 0 "[ . 1 . 2]" 1
200 1 5 LYS HA 1 6 VAL QG . . 4.680 3.535 3.335 3.684 . 0 0 "[ . 1 . 2]" 1
201 1 5 LYS HA 1 39 GLU HA . . 3.300 2.528 2.116 3.082 . 0 0 "[ . 1 . 2]" 1
202 1 5 LYS HA 1 39 GLU HG2 . . 5.450 3.450 2.220 5.411 . 0 0 "[ . 1 . 2]" 1
203 1 5 LYS HA 1 39 GLU QG . . 4.640 3.126 2.201 4.720 0.080 5 0 "[ . 1 . 2]" 1
204 1 5 LYS HA 1 39 GLU HG3 . . 5.450 4.022 2.452 5.273 . 0 0 "[ . 1 . 2]" 1
205 1 5 LYS HA 1 40 ALA H . . 4.440 3.809 3.346 4.416 . 0 0 "[ . 1 . 2]" 1
206 1 5 LYS HA 1 63 GLU H . . 5.010 4.840 4.696 5.024 0.014 17 0 "[ . 1 . 2]" 1
207 1 5 LYS HB2 1 6 VAL H . . 4.900 4.413 4.048 4.565 . 0 0 "[ . 1 . 2]" 1
208 1 5 LYS HB2 1 63 GLU H . . 4.570 4.591 4.427 4.636 0.066 8 0 "[ . 1 . 2]" 1
209 1 5 LYS HB2 1 65 LEU MD1 . . 4.110 2.218 2.120 2.359 . 0 0 "[ . 1 . 2]" 1
210 1 5 LYS HB2 1 65 LEU MD2 . . 4.530 2.615 2.117 4.020 . 0 0 "[ . 1 . 2]" 1
211 1 5 LYS HB3 1 5 LYS QD . . 3.530 2.628 2.203 3.503 . 0 0 "[ . 1 . 2]" 1
212 1 5 LYS HB3 1 6 VAL H . . 4.720 4.197 3.708 4.400 . 0 0 "[ . 1 . 2]" 1
213 1 5 LYS HB3 1 6 VAL HA . . 5.500 4.809 4.630 5.006 . 0 0 "[ . 1 . 2]" 1
214 1 5 LYS HB3 1 62 ALA HA . . 5.500 4.505 4.215 4.797 . 0 0 "[ . 1 . 2]" 1
215 1 5 LYS HB3 1 63 GLU H . . 4.550 3.239 3.004 3.531 . 0 0 "[ . 1 . 2]" 1
216 1 5 LYS HB3 1 65 LEU QB . . 5.450 5.413 5.116 5.525 0.075 18 0 "[ . 1 . 2]" 1
217 1 5 LYS HB3 1 65 LEU MD1 . . 3.990 3.674 3.395 3.912 . 0 0 "[ . 1 . 2]" 1
218 1 5 LYS HB3 1 65 LEU MD2 . . 4.550 3.337 2.943 4.169 . 0 0 "[ . 1 . 2]" 1
219 1 5 LYS QG 1 6 VAL H . . 4.390 3.060 2.120 3.588 . 0 0 "[ . 1 . 2]" 1
220 1 5 LYS QG 1 39 GLU HA . . 5.340 4.231 3.553 4.888 . 0 0 "[ . 1 . 2]" 1
221 1 5 LYS HG2 1 6 VAL H . . 5.200 3.472 2.168 4.774 . 0 0 "[ . 1 . 2]" 1
222 1 5 LYS HG3 1 6 VAL H . . 5.200 3.782 2.686 4.970 . 0 0 "[ . 1 . 2]" 1
223 1 6 VAL H 1 6 VAL HB . . 3.110 2.714 2.581 2.975 . 0 0 "[ . 1 . 2]" 1
224 1 6 VAL H 1 6 VAL MG1 . . 4.170 3.891 3.729 3.987 . 0 0 "[ . 1 . 2]" 1
225 1 6 VAL H 1 6 VAL QG . . 3.130 2.440 1.939 2.728 . 0 0 "[ . 1 . 2]" 1
226 1 6 VAL H 1 6 VAL MG2 . . 4.170 2.468 1.946 2.778 . 0 0 "[ . 1 . 2]" 1
227 1 6 VAL H 1 7 GLU H . . 4.620 4.476 4.408 4.591 . 0 0 "[ . 1 . 2]" 1
228 1 6 VAL H 1 9 MET ME . . 4.760 4.076 3.724 4.375 . 0 0 "[ . 1 . 2]" 1
229 1 6 VAL H 1 38 GLY HA2 . . 4.970 4.112 3.574 4.719 . 0 0 "[ . 1 . 2]" 1
230 1 6 VAL H 1 38 GLY HA3 . . 4.970 4.060 3.759 4.807 . 0 0 "[ . 1 . 2]" 1
231 1 6 VAL H 1 39 GLU H . . 5.150 4.512 3.959 4.811 . 0 0 "[ . 1 . 2]" 1
232 1 6 VAL H 1 39 GLU HA . . 3.300 2.814 2.134 3.351 0.051 2 0 "[ . 1 . 2]" 1
233 1 6 VAL H 1 39 GLU QG . . 5.340 4.184 3.474 5.402 0.062 4 0 "[ . 1 . 2]" 1
234 1 6 VAL H 1 40 ALA H . . 4.570 4.403 4.009 4.642 0.072 9 0 "[ . 1 . 2]" 1
235 1 6 VAL H 1 62 ALA HA . . 5.150 4.848 4.651 5.142 . 0 0 "[ . 1 . 2]" 1
236 1 6 VAL HA 1 6 VAL MG1 . . 3.260 2.297 2.209 2.385 . 0 0 "[ . 1 . 2]" 1
237 1 6 VAL HA 1 6 VAL QG . . 2.800 2.146 2.105 2.189 . 0 0 "[ . 1 . 2]" 1
238 1 6 VAL HA 1 6 VAL MG2 . . 3.260 2.591 2.456 2.893 . 0 0 "[ . 1 . 2]" 1
239 1 6 VAL HA 1 7 GLU H . . 2.510 2.277 2.184 2.480 . 0 0 "[ . 1 . 2]" 1
240 1 6 VAL HA 1 7 GLU QB . . 5.340 4.038 3.836 4.427 . 0 0 "[ . 1 . 2]" 1
241 1 6 VAL HA 1 9 MET ME . . 5.280 4.733 4.480 4.891 . 0 0 "[ . 1 . 2]" 1
242 1 6 VAL HA 1 55 VAL QG . . 4.840 3.626 3.229 3.969 . 0 0 "[ . 1 . 2]" 1
243 1 6 VAL HA 1 62 ALA HA . . 3.250 2.463 2.292 2.809 . 0 0 "[ . 1 . 2]" 1
244 1 6 VAL HA 1 62 ALA MB . . 3.700 3.083 2.745 3.656 . 0 0 "[ . 1 . 2]" 1
245 1 6 VAL HA 1 63 GLU H . . 4.200 3.994 3.716 4.252 0.052 19 0 "[ . 1 . 2]" 1
246 1 6 VAL HB 1 7 GLU H . . 4.660 3.802 3.200 4.021 . 0 0 "[ . 1 . 2]" 1
247 1 6 VAL HB 1 7 GLU HA . . 5.500 4.442 4.033 4.582 . 0 0 "[ . 1 . 2]" 1
248 1 6 VAL HB 1 9 MET ME . . 4.280 2.109 2.016 2.219 . 0 0 "[ . 1 . 2]" 1
249 1 6 VAL HB 1 18 VAL QG . . 5.440 4.178 3.545 5.356 . 0 0 "[ . 1 . 2]" 1
250 1 6 VAL HB 1 38 GLY QA . . 5.340 3.336 2.955 3.753 . 0 0 "[ . 1 . 2]" 1
251 1 6 VAL HB 1 39 GLU HA . . 5.340 4.360 3.616 5.279 . 0 0 "[ . 1 . 2]" 1
252 1 6 VAL HB 1 40 ALA MB . . 4.760 4.377 3.935 4.826 0.066 18 0 "[ . 1 . 2]" 1
253 1 6 VAL QG 1 7 GLU H . . 2.960 2.339 2.054 2.586 . 0 0 "[ . 1 . 2]" 1
254 1 6 VAL QG 1 7 GLU HA . . 4.450 3.698 3.472 4.033 . 0 0 "[ . 1 . 2]" 1
255 1 6 VAL QG 1 7 GLU QB . . 5.280 4.123 3.973 4.372 . 0 0 "[ . 1 . 2]" 1
256 1 6 VAL QG 1 9 MET H . . 4.090 3.232 3.010 3.778 . 0 0 "[ . 1 . 2]" 1
257 1 6 VAL QG 1 9 MET HG2 . . 3.910 3.145 2.524 3.418 . 0 0 "[ . 1 . 2]" 1
258 1 6 VAL QG 1 9 MET HG3 . . 3.430 2.173 2.007 2.454 . 0 0 "[ . 1 . 2]" 1
259 1 6 VAL QG 1 18 VAL HB . . 5.340 3.925 3.660 4.470 . 0 0 "[ . 1 . 2]" 1
260 1 6 VAL QG 1 38 GLY H . . 5.440 5.344 4.568 5.530 0.090 14 0 "[ . 1 . 2]" 1
261 1 6 VAL QG 1 39 GLU H . . 4.470 4.215 3.493 4.546 0.076 8 0 "[ . 1 . 2]" 1
262 1 6 VAL QG 1 39 GLU HA . . 3.950 3.016 2.219 3.813 . 0 0 "[ . 1 . 2]" 1
263 1 6 VAL QG 1 40 ALA H . . 3.650 3.307 2.893 3.675 0.025 9 0 "[ . 1 . 2]" 1
264 1 6 VAL QG 1 40 ALA HA . . 5.210 4.125 3.943 4.731 . 0 0 "[ . 1 . 2]" 1
265 1 6 VAL QG 1 55 VAL HA . . 5.440 4.796 4.336 5.211 . 0 0 "[ . 1 . 2]" 1
266 1 6 VAL QG 1 55 VAL HB . . 5.440 3.977 3.561 4.342 . 0 0 "[ . 1 . 2]" 1
267 1 6 VAL QG 1 55 VAL QG . . 2.840 2.056 1.818 2.382 . 0 0 "[ . 1 . 2]" 1
268 1 6 VAL QG 1 60 TYR H . . 5.440 5.204 4.752 5.519 0.079 3 0 "[ . 1 . 2]" 1
269 1 6 VAL QG 1 60 TYR HB2 . . 3.930 3.224 2.725 3.658 . 0 0 "[ . 1 . 2]" 1
270 1 6 VAL QG 1 60 TYR HB3 . . 3.430 2.683 2.233 3.124 . 0 0 "[ . 1 . 2]" 1
271 1 6 VAL QG 1 60 TYR QD . . 4.420 3.471 2.901 3.873 . 0 0 "[ . 1 . 2]" 1
272 1 6 VAL QG 1 61 LYS H . . 3.720 3.613 3.215 3.815 0.095 6 0 "[ . 1 . 2]" 1
273 1 6 VAL QG 1 62 ALA HA . . 4.320 3.401 2.947 3.696 . 0 0 "[ . 1 . 2]" 1
274 1 6 VAL QG 1 62 ALA MB . . 3.300 2.670 2.297 3.280 . 0 0 "[ . 1 . 2]" 1
275 1 6 VAL QG 1 63 GLU H . . 5.440 4.291 3.944 4.748 . 0 0 "[ . 1 . 2]" 1
276 1 6 VAL MG1 1 7 GLU H . . 4.150 2.352 2.059 2.610 . 0 0 "[ . 1 . 2]" 1
277 1 6 VAL MG1 1 7 GLU HA . . 5.410 3.762 3.511 4.187 . 0 0 "[ . 1 . 2]" 1
278 1 6 VAL MG1 1 9 MET H . . 5.500 3.255 3.024 3.850 . 0 0 "[ . 1 . 2]" 1
279 1 6 VAL MG1 1 9 MET ME . . 3.050 2.732 2.286 3.148 0.098 14 0 "[ . 1 . 2]" 1
280 1 6 VAL MG1 1 62 ALA HA . . 5.020 3.758 3.251 4.087 . 0 0 "[ . 1 . 2]" 1
281 1 6 VAL MG1 1 62 ALA MB . . 3.890 2.997 2.593 3.691 . 0 0 "[ . 1 . 2]" 1
282 1 6 VAL MG2 1 7 GLU H . . 4.150 4.145 3.970 4.231 0.081 16 0 "[ . 1 . 2]" 1
283 1 6 VAL MG2 1 7 GLU HA . . 5.410 5.481 5.270 5.509 0.099 1 0 "[ . 1 . 2]" 1
284 1 6 VAL MG2 1 9 MET H . . 5.500 5.566 5.450 5.594 0.094 13 0 "[ . 1 . 2]" 1
285 1 6 VAL MG2 1 9 MET ME . . 3.050 2.807 2.355 3.080 0.030 9 0 "[ . 1 . 2]" 1
286 1 6 VAL MG2 1 62 ALA HA . . 5.020 3.911 3.372 4.394 . 0 0 "[ . 1 . 2]" 1
287 1 6 VAL MG2 1 62 ALA MB . . 3.890 3.048 2.547 3.980 0.090 18 0 "[ . 1 . 2]" 1
288 1 7 GLU H 1 7 GLU HB2 . . 3.770 2.957 2.494 3.325 . 0 0 "[ . 1 . 2]" 1
289 1 7 GLU H 1 7 GLU QB . . 2.960 2.619 2.414 2.808 . 0 0 "[ . 1 . 2]" 1
290 1 7 GLU H 1 7 GLU HB3 . . 3.770 3.142 2.663 3.824 0.054 16 0 "[ . 1 . 2]" 1
291 1 7 GLU H 1 7 GLU QG . . 4.320 3.911 3.083 4.365 0.045 19 0 "[ . 1 . 2]" 1
292 1 7 GLU H 1 9 MET ME . . 5.270 4.968 4.585 5.213 . 0 0 "[ . 1 . 2]" 1
293 1 7 GLU H 1 55 VAL QG . . 4.700 4.257 3.916 4.573 . 0 0 "[ . 1 . 2]" 1
294 1 7 GLU H 1 60 TYR HB3 . . 4.430 3.615 2.887 4.010 . 0 0 "[ . 1 . 2]" 1
295 1 7 GLU H 1 60 TYR QD . . 5.070 4.859 4.203 5.134 0.064 16 0 "[ . 1 . 2]" 1
296 1 7 GLU H 1 61 LYS H . . 3.400 3.048 2.749 3.334 . 0 0 "[ . 1 . 2]" 1
297 1 7 GLU H 1 61 LYS QB . . 3.910 3.428 3.065 3.663 . 0 0 "[ . 1 . 2]" 1
298 1 7 GLU H 1 62 ALA HA . . 3.930 3.617 3.151 3.991 0.061 20 0 "[ . 1 . 2]" 1
299 1 7 GLU H 1 62 ALA MB . . 4.460 4.199 3.845 4.541 0.081 17 0 "[ . 1 . 2]" 1
300 1 7 GLU QB 1 8 GLY H . . 4.060 3.572 2.827 4.024 . 0 0 "[ . 1 . 2]" 1
301 1 7 GLU QB 1 61 LYS H . . 4.000 3.632 3.324 3.909 . 0 0 "[ . 1 . 2]" 1
302 1 7 GLU QB 1 61 LYS QB . . 5.100 2.230 2.049 2.454 . 0 0 "[ . 1 . 2]" 1
303 1 7 GLU QB 1 62 ALA HA . . 5.340 4.517 4.046 4.859 . 0 0 "[ . 1 . 2]" 1
304 1 7 GLU HB2 1 8 GLY H . . 4.690 4.332 3.990 4.588 . 0 0 "[ . 1 . 2]" 1
305 1 7 GLU HB3 1 8 GLY H . . 4.690 3.847 2.887 4.452 . 0 0 "[ . 1 . 2]" 1
306 1 7 GLU QG 1 8 GLY H . . 4.800 3.368 2.271 4.613 . 0 0 "[ . 1 . 2]" 1
307 1 7 GLU QG 1 61 LYS H . . 5.470 5.128 4.441 5.536 0.066 7 0 "[ . 1 . 2]" 1
308 1 7 GLU QG 1 61 LYS QB . . 5.280 3.762 3.148 4.195 . 0 0 "[ . 1 . 2]" 1
309 1 8 GLY H 1 9 MET H . . 3.180 2.438 1.935 2.961 . 0 0 "[ . 1 . 2]" 1
310 1 8 GLY QA 1 10 THR MG . . 5.070 3.912 3.019 4.637 . 0 0 "[ . 1 . 2]" 1
311 1 8 GLY QA 1 60 TYR QD . . 3.750 2.460 2.148 3.130 . 0 0 "[ . 1 . 2]" 1
312 1 8 GLY QA 1 60 TYR QE . . 4.630 3.882 3.277 4.703 0.073 18 0 "[ . 1 . 2]" 1
313 1 8 GLY HA2 1 60 TYR QD . . 4.540 4.009 3.778 4.573 0.033 18 0 "[ . 1 . 2]" 1
314 1 8 GLY HA3 1 60 TYR QD . . 4.540 2.483 2.160 3.187 . 0 0 "[ . 1 . 2]" 1
315 1 9 MET H 1 9 MET HB2 . . 3.250 2.555 2.456 2.834 . 0 0 "[ . 1 . 2]" 1
316 1 9 MET H 1 9 MET HB3 . . 3.890 3.644 3.605 3.669 . 0 0 "[ . 1 . 2]" 1
317 1 9 MET H 1 9 MET ME . . 3.990 3.659 3.274 3.909 . 0 0 "[ . 1 . 2]" 1
318 1 9 MET H 1 9 MET HG2 . . 3.810 3.381 2.805 3.647 . 0 0 "[ . 1 . 2]" 1
319 1 9 MET H 1 9 MET HG3 . . 3.130 2.349 2.052 2.567 . 0 0 "[ . 1 . 2]" 1
320 1 9 MET H 1 10 THR MG . . 5.220 4.739 3.960 5.304 0.084 5 0 "[ . 1 . 2]" 1
321 1 9 MET H 1 35 LEU QD . . 5.210 4.556 4.064 5.273 0.063 2 0 "[ . 1 . 2]" 1
322 1 9 MET H 1 60 TYR QD . . 4.500 3.512 3.129 4.066 . 0 0 "[ . 1 . 2]" 1
323 1 9 MET H 1 60 TYR QE . . 4.880 4.389 3.776 4.857 . 0 0 "[ . 1 . 2]" 1
324 1 9 MET HA 1 9 MET ME . . 5.500 4.510 4.425 4.638 . 0 0 "[ . 1 . 2]" 1
325 1 9 MET HA 1 9 MET HG2 . . 3.660 2.524 2.415 2.693 . 0 0 "[ . 1 . 2]" 1
326 1 9 MET HA 1 10 THR H . . 3.020 2.262 2.170 2.443 . 0 0 "[ . 1 . 2]" 1
327 1 9 MET HA 1 10 THR MG . . 4.990 3.904 3.408 4.400 . 0 0 "[ . 1 . 2]" 1
328 1 9 MET HA 1 14 CYS HB2 . . 4.290 2.826 2.206 3.364 . 0 0 "[ . 1 . 2]" 1
329 1 9 MET HA 1 14 CYS HB3 . . 3.810 2.521 2.260 3.336 . 0 0 "[ . 1 . 2]" 1
330 1 9 MET HA 1 35 LEU QD . . 5.260 3.879 3.630 4.356 . 0 0 "[ . 1 . 2]" 1
331 1 9 MET HA 1 60 TYR QD . . 4.550 3.634 3.171 4.161 . 0 0 "[ . 1 . 2]" 1
332 1 9 MET HA 1 60 TYR QE . . 3.320 2.643 2.151 3.375 0.055 10 0 "[ . 1 . 2]" 1
333 1 9 MET HB2 1 9 MET ME . . 3.170 2.221 2.142 2.311 . 0 0 "[ . 1 . 2]" 1
334 1 9 MET HB2 1 10 THR H . . 5.240 4.250 3.769 4.555 . 0 0 "[ . 1 . 2]" 1
335 1 9 MET HB2 1 14 CYS HB2 . . 5.350 4.199 3.858 4.690 . 0 0 "[ . 1 . 2]" 1
336 1 9 MET HB2 1 14 CYS HB3 . . 5.330 4.644 4.260 5.275 . 0 0 "[ . 1 . 2]" 1
337 1 9 MET HB2 1 15 VAL HA . . 5.500 5.322 4.740 5.567 0.067 19 0 "[ . 1 . 2]" 1
338 1 9 MET HB2 1 35 LEU QD . . 3.630 2.743 2.307 3.399 . 0 0 "[ . 1 . 2]" 1
339 1 9 MET HB3 1 10 THR H . . 4.240 3.443 2.646 4.258 0.018 12 0 "[ . 1 . 2]" 1
340 1 9 MET HB3 1 11 CYS H . . 4.500 3.755 3.258 4.538 0.038 12 0 "[ . 1 . 2]" 1
341 1 9 MET HB3 1 14 CYS HB2 . . 3.940 2.528 2.161 3.128 . 0 0 "[ . 1 . 2]" 1
342 1 9 MET HB3 1 14 CYS HB3 . . 4.150 3.339 2.911 3.928 . 0 0 "[ . 1 . 2]" 1
343 1 9 MET HB3 1 15 VAL H . . 4.990 3.873 3.369 4.289 . 0 0 "[ . 1 . 2]" 1
344 1 9 MET HB3 1 15 VAL QG . . 4.680 2.826 2.226 3.448 . 0 0 "[ . 1 . 2]" 1
345 1 9 MET HB3 1 18 VAL QG . . 5.150 4.623 4.246 5.219 0.069 4 0 "[ . 1 . 2]" 1
346 1 9 MET HB3 1 35 LEU QD . . 3.450 2.452 2.124 2.958 . 0 0 "[ . 1 . 2]" 1
347 1 9 MET ME 1 9 MET HG2 . . 3.700 3.433 3.367 3.494 . 0 0 "[ . 1 . 2]" 1
348 1 9 MET ME 1 9 MET HG3 . . 3.450 2.512 2.333 2.651 . 0 0 "[ . 1 . 2]" 1
349 1 9 MET ME 1 15 VAL HA . . 4.340 3.858 3.482 4.332 . 0 0 "[ . 1 . 2]" 1
350 1 9 MET ME 1 15 VAL QG . . 3.300 2.666 2.206 3.402 0.102 7 0 "[ . 1 . 2]" 1
351 1 9 MET ME 1 18 VAL QG . . 4.470 3.590 3.193 4.494 0.024 4 0 "[ . 1 . 2]" 1
352 1 9 MET ME 1 33 VAL QG . . 3.060 2.198 2.003 2.592 . 0 0 "[ . 1 . 2]" 1
353 1 9 MET ME 1 34 SER H . . 4.190 3.284 2.901 3.903 . 0 0 "[ . 1 . 2]" 1
354 1 9 MET ME 1 34 SER HB2 . . 5.500 5.192 3.818 5.586 0.086 7 0 "[ . 1 . 2]" 1
355 1 9 MET ME 1 34 SER QB . . 4.620 4.352 3.658 4.660 0.040 18 0 "[ . 1 . 2]" 1
356 1 9 MET ME 1 34 SER HB3 . . 5.500 4.809 4.189 5.569 0.069 14 0 "[ . 1 . 2]" 1
357 1 9 MET ME 1 35 LEU HA . . 3.130 2.437 2.010 3.172 0.042 1 0 "[ . 1 . 2]" 1
358 1 9 MET ME 1 35 LEU QD . . 3.620 3.072 2.418 3.712 0.092 1 0 "[ . 1 . 2]" 1
359 1 9 MET ME 1 38 GLY H . . 4.080 3.487 3.163 4.141 0.061 1 0 "[ . 1 . 2]" 1
360 1 9 MET ME 1 38 GLY QA . . 3.040 2.391 2.049 3.122 0.082 2 0 "[ . 1 . 2]" 1
361 1 9 MET ME 1 39 GLU H . . 3.970 3.468 2.773 4.033 0.063 18 0 "[ . 1 . 2]" 1
362 1 9 MET ME 1 39 GLU HA . . 5.040 4.508 3.760 5.112 0.072 2 0 "[ . 1 . 2]" 1
363 1 9 MET HG2 1 10 THR H . . 5.210 4.565 4.100 4.905 . 0 0 "[ . 1 . 2]" 1
364 1 9 MET HG2 1 14 CYS HB2 . . 4.180 3.165 2.705 3.928 . 0 0 "[ . 1 . 2]" 1
365 1 9 MET HG2 1 14 CYS HB3 . . 3.550 2.551 2.096 3.608 0.058 14 0 "[ . 1 . 2]" 1
366 1 9 MET HG2 1 15 VAL HA . . 5.500 4.074 3.370 4.692 . 0 0 "[ . 1 . 2]" 1
367 1 9 MET HG2 1 15 VAL QG . . 5.290 3.995 3.561 4.532 . 0 0 "[ . 1 . 2]" 1
368 1 9 MET HG2 1 18 VAL QG . . 3.760 2.920 2.336 3.775 0.015 19 0 "[ . 1 . 2]" 1
369 1 9 MET HG2 1 60 TYR HB3 . . 5.500 4.656 3.903 5.449 . 0 0 "[ . 1 . 2]" 1
370 1 9 MET HG2 1 60 TYR QD . . 5.180 3.600 2.882 4.084 . 0 0 "[ . 1 . 2]" 1
371 1 9 MET HG2 1 60 TYR QE . . 4.550 3.477 2.826 3.918 . 0 0 "[ . 1 . 2]" 1
372 1 9 MET HG3 1 18 VAL QG . . 4.120 3.466 2.822 4.196 0.076 14 0 "[ . 1 . 2]" 1
373 1 9 MET HG3 1 35 LEU QD . . 5.140 4.612 4.177 5.246 0.106 2 0 "[ . 1 . 2]" 1
374 1 9 MET HG3 1 60 TYR QD . . 5.500 3.677 3.247 4.237 . 0 0 "[ . 1 . 2]" 1
375 1 9 MET HG3 1 60 TYR QE . . 4.850 4.421 3.711 4.915 0.065 14 0 "[ . 1 . 2]" 1
376 1 10 THR H 1 10 THR HB . . 3.930 3.476 2.666 3.900 . 0 0 "[ . 1 . 2]" 1
377 1 10 THR H 1 10 THR MG . . 3.420 2.776 1.953 3.495 0.075 18 0 "[ . 1 . 2]" 1
378 1 10 THR H 1 11 CYS H . . 2.830 2.108 1.835 2.459 . 0 0 "[ . 1 . 2]" 1
379 1 10 THR H 1 14 CYS HB2 . . 3.930 3.207 2.403 3.867 . 0 0 "[ . 1 . 2]" 1
380 1 10 THR H 1 14 CYS HB3 . . 4.370 3.646 3.124 4.411 0.041 19 0 "[ . 1 . 2]" 1
381 1 10 THR H 1 60 TYR QE . . 4.540 3.918 3.541 4.321 . 0 0 "[ . 1 . 2]" 1
382 1 10 THR HA 1 10 THR HB . . 2.940 2.492 2.343 2.663 . 0 0 "[ . 1 . 2]" 1
383 1 10 THR HA 1 10 THR MG . . 3.290 2.634 2.110 3.272 . 0 0 "[ . 1 . 2]" 1
384 1 10 THR HA 1 35 LEU QD . . 3.910 2.625 2.224 3.333 . 0 0 "[ . 1 . 2]" 1
385 1 10 THR MG 1 11 CYS H . . 4.570 3.940 2.733 4.532 . 0 0 "[ . 1 . 2]" 1
386 1 11 CYS H 1 14 CYS H . . 3.960 3.449 3.145 3.845 . 0 0 "[ . 1 . 2]" 1
387 1 11 CYS H 1 14 CYS HB2 . . 3.310 2.885 2.481 3.349 0.039 18 0 "[ . 1 . 2]" 1
388 1 11 CYS H 1 14 CYS HB3 . . 4.400 4.111 3.754 4.436 0.036 18 0 "[ . 1 . 2]" 1
389 1 11 CYS H 1 15 VAL H . . 4.940 4.388 3.999 4.902 . 0 0 "[ . 1 . 2]" 1
390 1 11 CYS H 1 35 LEU QD . . 3.510 2.789 2.392 3.271 . 0 0 "[ . 1 . 2]" 1
391 1 11 CYS H 1 60 TYR QE . . 5.500 5.307 4.973 5.562 0.062 16 0 "[ . 1 . 2]" 1
392 1 11 CYS HA 1 35 LEU MD1 . . 3.980 3.407 2.651 4.044 0.064 5 0 "[ . 1 . 2]" 1
393 1 11 CYS HA 1 35 LEU QD . . 3.430 2.578 2.062 3.018 . 0 0 "[ . 1 . 2]" 1
394 1 11 CYS HA 1 35 LEU MD2 . . 3.980 2.735 2.090 3.298 . 0 0 "[ . 1 . 2]" 1
395 1 12 ASN HA 1 14 CYS H . . 4.740 4.127 3.736 4.429 . 0 0 "[ . 1 . 2]" 1
396 1 12 ASN HA 1 15 VAL H . . 3.640 3.328 3.026 3.524 . 0 0 "[ . 1 . 2]" 1
397 1 12 ASN HA 1 15 VAL HB . . 3.520 2.930 2.313 3.407 . 0 0 "[ . 1 . 2]" 1
398 1 12 ASN HA 1 15 VAL MG1 . . 4.760 4.135 3.530 4.482 . 0 0 "[ . 1 . 2]" 1
399 1 12 ASN HA 1 15 VAL QG . . 3.280 2.505 2.061 3.006 . 0 0 "[ . 1 . 2]" 1
400 1 12 ASN HA 1 15 VAL MG2 . . 4.760 2.543 2.065 3.257 . 0 0 "[ . 1 . 2]" 1
401 1 12 ASN HA 1 16 MET H . . 4.660 4.198 3.657 4.538 . 0 0 "[ . 1 . 2]" 1
402 1 12 ASN HA 1 35 LEU MD1 . . 5.360 3.790 2.505 5.191 . 0 0 "[ . 1 . 2]" 1
403 1 12 ASN HA 1 35 LEU QD . . 4.290 2.866 2.101 3.924 . 0 0 "[ . 1 . 2]" 1
404 1 12 ASN HA 1 35 LEU MD2 . . 5.360 3.026 2.127 4.062 . 0 0 "[ . 1 . 2]" 1
405 1 12 ASN QB 1 15 VAL H . . 5.000 4.850 4.666 5.064 0.064 3 0 "[ . 1 . 2]" 1
406 1 12 ASN QB 1 15 VAL HB . . 4.920 4.193 3.628 4.824 . 0 0 "[ . 1 . 2]" 1
407 1 12 ASN QB 1 15 VAL QG . . 4.730 3.918 3.702 4.306 . 0 0 "[ . 1 . 2]" 1
408 1 12 ASN QB 1 35 LEU QD . . 5.010 3.754 2.573 4.587 . 0 0 "[ . 1 . 2]" 1
409 1 13 HIS HA 1 13 HIS HD2 . . 5.220 4.274 3.225 4.837 . 0 0 "[ . 1 . 2]" 1
410 1 13 HIS HA 1 15 VAL H . . 4.970 4.502 4.088 4.942 . 0 0 "[ . 1 . 2]" 1
411 1 13 HIS HA 1 16 MET H . . 3.870 3.593 3.256 3.916 0.046 11 0 "[ . 1 . 2]" 1
412 1 13 HIS HA 1 16 MET HB2 . . 4.950 4.948 4.746 5.016 0.066 18 0 "[ . 1 . 2]" 1
413 1 13 HIS HA 1 16 MET QB . . 4.140 4.017 3.747 4.167 0.027 19 0 "[ . 1 . 2]" 1
414 1 13 HIS HA 1 16 MET HB3 . . 4.950 4.254 3.915 4.471 . 0 0 "[ . 1 . 2]" 1
415 1 13 HIS HA 1 16 MET ME . . 4.530 4.289 3.411 4.596 0.066 3 0 "[ . 1 . 2]" 1
416 1 13 HIS HA 1 16 MET HG2 . . 5.240 2.216 1.974 2.907 . 0 0 "[ . 1 . 2]" 1
417 1 13 HIS HA 1 16 MET HG3 . . 5.240 2.959 2.014 3.478 . 0 0 "[ . 1 . 2]" 1
418 1 13 HIS HA 1 17 ALA H . . 4.770 4.145 3.809 4.580 . 0 0 "[ . 1 . 2]" 1
419 1 13 HIS HE1 1 16 MET ME . . 5.500 4.680 2.732 5.576 0.076 11 0 "[ . 1 . 2]" 1
420 1 14 CYS H 1 14 CYS HB2 . . 3.080 2.622 2.529 2.756 . 0 0 "[ . 1 . 2]" 1
421 1 14 CYS H 1 14 CYS HB3 . . 3.900 3.577 3.526 3.616 . 0 0 "[ . 1 . 2]" 1
422 1 14 CYS H 1 15 VAL H . . 3.120 2.609 2.437 2.746 . 0 0 "[ . 1 . 2]" 1
423 1 14 CYS H 1 15 VAL QG . . 4.590 3.799 3.531 4.233 . 0 0 "[ . 1 . 2]" 1
424 1 14 CYS H 1 16 MET H . . 4.440 4.383 4.156 4.498 0.058 3 0 "[ . 1 . 2]" 1
425 1 14 CYS H 1 17 ALA MB . . 5.160 4.776 4.443 4.995 . 0 0 "[ . 1 . 2]" 1
426 1 14 CYS HA 1 16 MET H . . 5.500 4.848 4.648 4.993 . 0 0 "[ . 1 . 2]" 1
427 1 14 CYS HA 1 17 ALA H . . 4.020 3.621 3.423 3.832 . 0 0 "[ . 1 . 2]" 1
428 1 14 CYS HA 1 17 ALA MB . . 3.350 2.748 2.352 2.981 . 0 0 "[ . 1 . 2]" 1
429 1 14 CYS HA 1 18 VAL H . . 4.910 4.026 3.623 4.436 . 0 0 "[ . 1 . 2]" 1
430 1 14 CYS HA 1 18 VAL QG . . 5.190 3.883 3.332 4.886 . 0 0 "[ . 1 . 2]" 1
431 1 14 CYS HA 1 60 TYR QE . . 4.360 3.780 3.262 4.288 . 0 0 "[ . 1 . 2]" 1
432 1 14 CYS HB2 1 15 VAL H . . 3.330 2.437 2.173 2.679 . 0 0 "[ . 1 . 2]" 1
433 1 14 CYS HB2 1 15 VAL QG . . 4.390 3.052 2.662 3.230 . 0 0 "[ . 1 . 2]" 1
434 1 14 CYS HB2 1 35 LEU QD . . 4.390 3.410 3.073 3.750 . 0 0 "[ . 1 . 2]" 1
435 1 14 CYS HB2 1 60 TYR QE . . 5.100 4.051 3.660 4.421 . 0 0 "[ . 1 . 2]" 1
436 1 14 CYS HB3 1 15 VAL H . . 3.840 3.687 3.488 3.874 0.034 4 0 "[ . 1 . 2]" 1
437 1 14 CYS HB3 1 15 VAL HA . . 5.150 4.588 4.516 4.680 . 0 0 "[ . 1 . 2]" 1
438 1 14 CYS HB3 1 15 VAL QG . . 5.040 4.265 3.932 4.458 . 0 0 "[ . 1 . 2]" 1
439 1 14 CYS HB3 1 17 ALA MB . . 5.500 4.425 4.152 4.697 . 0 0 "[ . 1 . 2]" 1
440 1 14 CYS HB3 1 18 VAL H . . 5.500 4.978 4.658 5.503 0.003 4 0 "[ . 1 . 2]" 1
441 1 14 CYS HB3 1 18 VAL QG . . 4.870 3.686 3.239 4.545 . 0 0 "[ . 1 . 2]" 1
442 1 14 CYS HB3 1 35 LEU QD . . 5.440 4.632 4.302 4.981 . 0 0 "[ . 1 . 2]" 1
443 1 14 CYS HB3 1 60 TYR QE . . 4.200 2.643 2.233 3.051 . 0 0 "[ . 1 . 2]" 1
444 1 15 VAL H 1 15 VAL HB . . 2.980 2.598 2.238 2.824 . 0 0 "[ . 1 . 2]" 1
445 1 15 VAL H 1 15 VAL MG1 . . 3.970 3.751 3.693 3.787 . 0 0 "[ . 1 . 2]" 1
446 1 15 VAL H 1 15 VAL QG . . 2.830 1.966 1.828 2.307 . 0 0 "[ . 1 . 2]" 1
447 1 15 VAL H 1 15 VAL MG2 . . 3.970 1.974 1.832 2.331 . 0 0 "[ . 1 . 2]" 1
448 1 15 VAL H 1 16 MET H . . 3.050 2.937 2.636 3.053 0.003 18 0 "[ . 1 . 2]" 1
449 1 15 VAL H 1 16 MET QB . . 5.170 5.178 4.860 5.245 0.075 14 0 "[ . 1 . 2]" 1
450 1 15 VAL H 1 17 ALA H . . 4.860 4.205 3.923 4.396 . 0 0 "[ . 1 . 2]" 1
451 1 15 VAL H 1 18 VAL H . . 5.340 4.925 4.741 5.126 . 0 0 "[ . 1 . 2]" 1
452 1 15 VAL H 1 33 VAL QG . . 5.500 4.967 4.517 5.588 0.088 19 0 "[ . 1 . 2]" 1
453 1 15 VAL H 1 35 LEU MD1 . . 5.500 3.850 3.407 4.693 . 0 0 "[ . 1 . 2]" 1
454 1 15 VAL H 1 35 LEU QD . . 4.440 3.677 3.341 4.200 . 0 0 "[ . 1 . 2]" 1
455 1 15 VAL H 1 35 LEU MD2 . . 5.500 4.768 4.239 5.417 . 0 0 "[ . 1 . 2]" 1
456 1 15 VAL HA 1 15 VAL MG1 . . 3.000 2.421 2.173 2.653 . 0 0 "[ . 1 . 2]" 1
457 1 15 VAL HA 1 15 VAL MG2 . . 3.000 2.466 2.197 2.681 . 0 0 "[ . 1 . 2]" 1
458 1 15 VAL HA 1 17 ALA H . . 5.080 4.459 4.222 4.720 . 0 0 "[ . 1 . 2]" 1
459 1 15 VAL HA 1 18 VAL H . . 4.050 3.821 3.654 4.096 0.046 7 0 "[ . 1 . 2]" 1
460 1 15 VAL HA 1 18 VAL HB . . 4.350 3.216 2.621 4.418 0.068 19 0 "[ . 1 . 2]" 1
461 1 15 VAL HA 1 18 VAL QG . . 4.170 3.215 2.080 3.806 . 0 0 "[ . 1 . 2]" 1
462 1 15 VAL HA 1 19 THR H . . 4.380 4.006 3.849 4.170 . 0 0 "[ . 1 . 2]" 1
463 1 15 VAL HA 1 33 VAL QG . . 3.490 2.843 2.314 3.604 0.114 19 0 "[ . 1 . 2]" 1
464 1 15 VAL HB 1 16 MET H . . 3.070 2.417 2.170 2.669 . 0 0 "[ . 1 . 2]" 1
465 1 15 VAL HB 1 17 ALA H . . 5.500 4.978 4.754 5.193 . 0 0 "[ . 1 . 2]" 1
466 1 15 VAL HB 1 33 VAL QG . . 5.140 4.430 4.165 4.840 . 0 0 "[ . 1 . 2]" 1
467 1 15 VAL QG 1 16 MET H . . 3.410 3.124 2.818 3.286 . 0 0 "[ . 1 . 2]" 1
468 1 15 VAL QG 1 16 MET HA . . 4.200 3.502 3.167 3.885 . 0 0 "[ . 1 . 2]" 1
469 1 15 VAL QG 1 16 MET QG . . 4.790 4.419 4.182 4.602 . 0 0 "[ . 1 . 2]" 1
470 1 15 VAL QG 1 17 ALA H . . 5.440 4.656 4.515 4.807 . 0 0 "[ . 1 . 2]" 1
471 1 15 VAL QG 1 18 VAL H . . 5.060 4.717 4.599 4.900 . 0 0 "[ . 1 . 2]" 1
472 1 15 VAL QG 1 18 VAL HB . . 5.440 4.227 3.798 5.286 . 0 0 "[ . 1 . 2]" 1
473 1 15 VAL QG 1 18 VAL QG . . 4.610 3.729 2.929 4.217 . 0 0 "[ . 1 . 2]" 1
474 1 15 VAL QG 1 19 THR H . . 4.210 4.044 3.803 4.261 0.051 20 0 "[ . 1 . 2]" 1
475 1 15 VAL QG 1 19 THR HB . . 5.440 4.307 3.873 4.605 . 0 0 "[ . 1 . 2]" 1
476 1 15 VAL QG 1 33 VAL H . . 4.400 3.916 3.699 4.378 . 0 0 "[ . 1 . 2]" 1
477 1 15 VAL QG 1 33 VAL HA . . 5.440 4.069 3.793 4.350 . 0 0 "[ . 1 . 2]" 1
478 1 15 VAL QG 1 33 VAL HB . . 3.110 2.187 2.088 2.270 . 0 0 "[ . 1 . 2]" 1
479 1 15 VAL QG 1 34 SER H . . 4.400 3.709 3.211 4.161 . 0 0 "[ . 1 . 2]" 1
480 1 15 VAL QG 1 35 LEU H . . 4.260 2.970 2.348 4.015 . 0 0 "[ . 1 . 2]" 1
481 1 15 VAL QG 1 35 LEU HA . . 4.020 2.654 2.148 3.276 . 0 0 "[ . 1 . 2]" 1
482 1 15 VAL QG 1 35 LEU HB2 . . 3.050 2.043 1.905 2.189 . 0 0 "[ . 1 . 2]" 1
483 1 15 VAL QG 1 35 LEU HB3 . . 4.080 3.367 2.933 3.557 . 0 0 "[ . 1 . 2]" 1
484 1 15 VAL QG 1 35 LEU QD . . 2.950 2.218 1.910 2.654 . 0 0 "[ . 1 . 2]" 1
485 1 15 VAL QG 1 35 LEU HG . . 4.240 4.150 3.814 4.335 0.095 4 0 "[ . 1 . 2]" 1
486 1 15 VAL MG1 1 16 MET H . . 4.090 3.376 2.873 3.770 . 0 0 "[ . 1 . 2]" 1
487 1 15 VAL MG1 1 34 SER H . . 5.320 3.892 3.319 4.331 . 0 0 "[ . 1 . 2]" 1
488 1 15 VAL MG2 1 16 MET H . . 4.090 3.753 3.499 4.074 . 0 0 "[ . 1 . 2]" 1
489 1 15 VAL MG2 1 34 SER H . . 5.320 4.738 3.845 5.380 0.060 13 0 "[ . 1 . 2]" 1
490 1 16 MET H 1 16 MET HB2 . . 3.630 3.636 3.545 3.682 0.052 13 0 "[ . 1 . 2]" 1
491 1 16 MET H 1 16 MET QB . . 2.860 2.512 2.340 2.631 . 0 0 "[ . 1 . 2]" 1
492 1 16 MET H 1 16 MET HB3 . . 3.630 2.562 2.374 2.697 . 0 0 "[ . 1 . 2]" 1
493 1 16 MET H 1 16 MET ME . . 5.340 4.691 4.460 4.909 . 0 0 "[ . 1 . 2]" 1
494 1 16 MET H 1 16 MET HG2 . . 3.480 2.503 2.075 3.503 0.023 4 0 "[ . 1 . 2]" 1
495 1 16 MET H 1 16 MET HG3 . . 3.480 3.086 2.123 3.535 0.055 9 0 "[ . 1 . 2]" 1
496 1 16 MET H 1 17 ALA HA . . 5.500 5.451 5.371 5.538 0.038 4 0 "[ . 1 . 2]" 1
497 1 16 MET H 1 17 ALA MB . . 4.680 4.529 4.374 4.634 . 0 0 "[ . 1 . 2]" 1
498 1 16 MET H 1 19 THR HB . . 5.440 4.974 4.665 5.229 . 0 0 "[ . 1 . 2]" 1
499 1 16 MET H 1 33 VAL QG . . 5.500 5.181 4.806 5.606 0.106 15 0 "[ . 1 . 2]" 1
500 1 16 MET HA 1 16 MET ME . . 4.980 4.139 3.729 4.364 . 0 0 "[ . 1 . 2]" 1
501 1 16 MET HA 1 16 MET HG2 . . 4.130 3.877 3.670 4.190 0.060 4 0 "[ . 1 . 2]" 1
502 1 16 MET HA 1 16 MET HG3 . . 4.130 3.726 3.630 3.877 . 0 0 "[ . 1 . 2]" 1
503 1 16 MET HA 1 18 VAL QG . . 5.440 5.254 4.498 5.538 0.098 7 0 "[ . 1 . 2]" 1
504 1 16 MET HA 1 19 THR H . . 3.750 3.328 3.111 3.494 . 0 0 "[ . 1 . 2]" 1
505 1 16 MET HA 1 19 THR HB . . 3.400 2.367 2.113 2.651 . 0 0 "[ . 1 . 2]" 1
506 1 16 MET HA 1 19 THR MG . . 4.430 3.588 3.381 3.865 . 0 0 "[ . 1 . 2]" 1
507 1 16 MET HA 1 20 LYS H . . 4.420 3.953 3.627 4.345 . 0 0 "[ . 1 . 2]" 1
508 1 16 MET QB 1 16 MET QG . . 2.330 2.077 1.994 2.115 . 0 0 "[ . 1 . 2]" 1
509 1 16 MET QB 1 17 ALA H . . 3.740 3.648 3.516 3.794 0.054 17 0 "[ . 1 . 2]" 1
510 1 16 MET QB 1 20 LYS H . . 5.180 4.681 4.349 5.074 . 0 0 "[ . 1 . 2]" 1
511 1 16 MET HB2 1 17 ALA H . . 4.290 4.017 3.838 4.220 . 0 0 "[ . 1 . 2]" 1
512 1 16 MET HB3 1 17 ALA H . . 4.290 4.189 4.035 4.303 0.013 10 0 "[ . 1 . 2]" 1
513 1 16 MET ME 1 17 ALA H . . 5.500 4.287 3.029 5.063 . 0 0 "[ . 1 . 2]" 1
514 1 16 MET ME 1 17 ALA HA . . 5.500 4.110 2.282 5.260 . 0 0 "[ . 1 . 2]" 1
515 1 16 MET ME 1 19 THR HB . . 5.500 5.308 4.581 5.568 0.068 7 0 "[ . 1 . 2]" 1
516 1 16 MET ME 1 19 THR MG . . 5.500 5.560 5.300 5.617 0.117 12 0 "[ . 1 . 2]" 1
517 1 16 MET QG 1 17 ALA H . . 4.210 2.414 2.112 2.885 . 0 0 "[ . 1 . 2]" 1
518 1 16 MET QG 1 18 VAL H . . 5.340 4.826 4.598 5.310 . 0 0 "[ . 1 . 2]" 1
519 1 16 MET HG2 1 17 ALA H . . 4.970 3.287 2.607 4.501 . 0 0 "[ . 1 . 2]" 1
520 1 16 MET HG2 1 17 ALA MB . . 5.500 4.476 3.867 5.344 . 0 0 "[ . 1 . 2]" 1
521 1 16 MET HG3 1 17 ALA H . . 4.970 2.547 2.132 3.069 . 0 0 "[ . 1 . 2]" 1
522 1 16 MET HG3 1 17 ALA MB . . 5.500 3.549 3.181 4.294 . 0 0 "[ . 1 . 2]" 1
523 1 17 ALA H 1 17 ALA MB . . 2.550 2.237 2.203 2.281 . 0 0 "[ . 1 . 2]" 1
524 1 17 ALA H 1 18 VAL H . . 3.050 2.724 2.437 2.997 . 0 0 "[ . 1 . 2]" 1
525 1 17 ALA H 1 18 VAL HB . . 5.220 4.729 4.303 5.229 0.009 20 0 "[ . 1 . 2]" 1
526 1 17 ALA H 1 18 VAL QG . . 4.490 4.148 3.883 4.397 . 0 0 "[ . 1 . 2]" 1
527 1 17 ALA HA 1 18 VAL HA . . 5.230 4.810 4.637 4.920 . 0 0 "[ . 1 . 2]" 1
528 1 17 ALA HA 1 19 THR H . . 4.800 4.524 4.277 4.786 . 0 0 "[ . 1 . 2]" 1
529 1 17 ALA HA 1 20 LYS H . . 4.040 3.687 3.285 3.923 . 0 0 "[ . 1 . 2]" 1
530 1 17 ALA HA 1 20 LYS QB . . 3.790 3.160 2.719 3.478 . 0 0 "[ . 1 . 2]" 1
531 1 17 ALA HA 1 21 ALA H . . 5.100 4.271 3.885 4.667 . 0 0 "[ . 1 . 2]" 1
532 1 17 ALA HA 1 58 GLU QG . . 5.500 5.062 4.152 5.548 0.048 6 0 "[ . 1 . 2]" 1
533 1 17 ALA MB 1 18 VAL H . . 2.830 2.302 2.172 2.418 . 0 0 "[ . 1 . 2]" 1
534 1 17 ALA MB 1 18 VAL HA . . 4.270 3.828 3.747 3.932 . 0 0 "[ . 1 . 2]" 1
535 1 17 ALA MB 1 18 VAL QG . . 4.030 3.055 2.626 3.906 . 0 0 "[ . 1 . 2]" 1
536 1 17 ALA MB 1 19 THR H . . 4.840 4.445 4.278 4.570 . 0 0 "[ . 1 . 2]" 1
537 1 17 ALA MB 1 21 ALA H . . 5.500 4.689 4.473 4.943 . 0 0 "[ . 1 . 2]" 1
538 1 17 ALA MB 1 58 GLU HB2 . . 5.440 4.866 3.958 5.472 0.032 14 0 "[ . 1 . 2]" 1
539 1 17 ALA MB 1 58 GLU HB3 . . 4.510 3.811 2.962 4.404 . 0 0 "[ . 1 . 2]" 1
540 1 17 ALA MB 1 58 GLU QG . . 3.730 3.587 2.956 3.836 0.106 12 0 "[ . 1 . 2]" 1
541 1 17 ALA MB 1 60 TYR QD . . 5.430 4.829 4.025 5.492 0.062 6 0 "[ . 1 . 2]" 1
542 1 17 ALA MB 1 60 TYR QE . . 3.800 3.302 2.650 3.888 0.088 19 0 "[ . 1 . 2]" 1
543 1 18 VAL H 1 18 VAL HB . . 2.730 2.363 2.160 2.601 . 0 0 "[ . 1 . 2]" 1
544 1 18 VAL H 1 18 VAL MG1 . . 3.910 3.475 2.419 3.770 . 0 0 "[ . 1 . 2]" 1
545 1 18 VAL H 1 18 VAL QG . . 2.710 2.195 1.929 2.512 . 0 0 "[ . 1 . 2]" 1
546 1 18 VAL H 1 18 VAL MG2 . . 3.910 2.449 1.936 3.727 . 0 0 "[ . 1 . 2]" 1
547 1 18 VAL H 1 19 THR H . . 2.900 2.800 2.723 2.895 . 0 0 "[ . 1 . 2]" 1
548 1 18 VAL H 1 19 THR HA . . 5.500 5.396 5.341 5.473 . 0 0 "[ . 1 . 2]" 1
549 1 18 VAL H 1 19 THR HB . . 4.920 4.924 4.740 4.976 0.056 4 0 "[ . 1 . 2]" 1
550 1 18 VAL H 1 20 LYS H . . 4.840 4.473 4.277 4.717 . 0 0 "[ . 1 . 2]" 1
551 1 18 VAL H 1 21 ALA H . . 5.100 4.758 4.614 4.972 . 0 0 "[ . 1 . 2]" 1
552 1 18 VAL H 1 21 ALA MB . . 4.870 4.538 4.297 4.762 . 0 0 "[ . 1 . 2]" 1
553 1 18 VAL H 1 55 VAL QG . . 5.470 5.000 4.438 5.359 . 0 0 "[ . 1 . 2]" 1
554 1 18 VAL H 1 60 TYR QE . . 5.110 4.509 3.525 5.175 0.065 1 0 "[ . 1 . 2]" 1
555 1 18 VAL HA 1 18 VAL MG1 . . 3.200 2.646 2.287 3.270 0.070 14 0 "[ . 1 . 2]" 1
556 1 18 VAL HA 1 18 VAL QG . . 2.770 2.151 2.097 2.204 . 0 0 "[ . 1 . 2]" 1
557 1 18 VAL HA 1 18 VAL MG2 . . 3.200 2.327 2.127 2.481 . 0 0 "[ . 1 . 2]" 1
558 1 18 VAL HA 1 20 LYS H . . 5.260 4.562 4.119 5.010 . 0 0 "[ . 1 . 2]" 1
559 1 18 VAL HA 1 21 ALA H . . 3.570 3.321 2.867 3.574 0.004 13 0 "[ . 1 . 2]" 1
560 1 18 VAL HA 1 21 ALA MB . . 3.060 2.396 2.154 2.701 . 0 0 "[ . 1 . 2]" 1
561 1 18 VAL HA 1 22 LEU H . . 4.870 3.912 3.620 4.237 . 0 0 "[ . 1 . 2]" 1
562 1 18 VAL HA 1 22 LEU QD . . 5.440 4.195 3.813 4.577 . 0 0 "[ . 1 . 2]" 1
563 1 18 VAL HA 1 58 GLU QG . . 4.010 2.730 2.111 3.452 . 0 0 "[ . 1 . 2]" 1
564 1 18 VAL HB 1 19 THR H . . 3.910 3.017 2.558 3.976 0.066 14 0 "[ . 1 . 2]" 1
565 1 18 VAL QG 1 19 THR H . . 3.760 3.112 2.404 3.454 . 0 0 "[ . 1 . 2]" 1
566 1 18 VAL QG 1 19 THR HA . . 4.900 3.550 3.244 3.857 . 0 0 "[ . 1 . 2]" 1
567 1 18 VAL QG 1 20 LYS H . . 5.440 4.785 4.371 5.026 . 0 0 "[ . 1 . 2]" 1
568 1 18 VAL QG 1 21 ALA H . . 4.510 4.338 3.927 4.545 0.035 13 0 "[ . 1 . 2]" 1
569 1 18 VAL QG 1 21 ALA MB . . 4.760 3.186 2.531 3.558 . 0 0 "[ . 1 . 2]" 1
570 1 18 VAL QG 1 22 LEU H . . 4.610 3.863 3.387 4.123 . 0 0 "[ . 1 . 2]" 1
571 1 18 VAL QG 1 22 LEU QD . . 3.080 2.206 1.993 2.514 . 0 0 "[ . 1 . 2]" 1
572 1 18 VAL QG 1 22 LEU HG . . 3.550 2.958 2.405 3.350 . 0 0 "[ . 1 . 2]" 1
573 1 18 VAL QG 1 55 VAL HA . . 4.230 2.891 1.964 3.786 . 0 0 "[ . 1 . 2]" 1
574 1 18 VAL QG 1 55 VAL QG . . 2.690 1.805 1.712 1.952 . 0 0 "[ . 1 . 2]" 1
575 1 18 VAL QG 1 58 GLU HB3 . . 5.270 3.519 2.580 4.267 . 0 0 "[ . 1 . 2]" 1
576 1 18 VAL QG 1 58 GLU QG . . 4.450 3.043 2.175 3.774 . 0 0 "[ . 1 . 2]" 1
577 1 18 VAL QG 1 60 TYR H . . 5.440 4.592 3.898 5.213 . 0 0 "[ . 1 . 2]" 1
578 1 18 VAL QG 1 60 TYR HB2 . . 4.250 3.296 2.943 3.792 . 0 0 "[ . 1 . 2]" 1
579 1 18 VAL QG 1 60 TYR HB3 . . 4.440 3.868 3.418 4.512 0.072 14 0 "[ . 1 . 2]" 1
580 1 18 VAL QG 1 60 TYR QD . . 3.930 2.770 2.318 3.647 . 0 0 "[ . 1 . 2]" 1
581 1 18 VAL QG 1 60 TYR QE . . 3.940 3.078 2.105 4.023 0.083 14 0 "[ . 1 . 2]" 1
582 1 18 VAL QG 1 62 ALA MB . . 5.430 4.093 3.795 4.414 . 0 0 "[ . 1 . 2]" 1
583 1 18 VAL MG1 1 19 THR H . . 4.350 3.274 2.426 3.766 . 0 0 "[ . 1 . 2]" 1
584 1 18 VAL MG1 1 21 ALA H . . 5.500 4.835 4.337 5.206 . 0 0 "[ . 1 . 2]" 1
585 1 18 VAL MG1 1 55 VAL HA . . 5.020 3.647 2.394 4.939 . 0 0 "[ . 1 . 2]" 1
586 1 18 VAL MG1 1 55 VAL QG . . 3.080 2.144 1.802 3.211 0.131 20 0 "[ . 1 . 2]" 1
587 1 18 VAL MG1 1 60 TYR HB2 . . 5.500 4.507 3.778 5.278 . 0 0 "[ . 1 . 2]" 1
588 1 18 VAL MG1 1 60 TYR HB3 . . 5.500 5.024 4.378 5.576 0.076 14 0 "[ . 1 . 2]" 1
589 1 18 VAL MG2 1 19 THR H . . 4.350 4.031 3.932 4.213 . 0 0 "[ . 1 . 2]" 1
590 1 18 VAL MG2 1 21 ALA H . . 5.500 4.973 4.166 5.259 . 0 0 "[ . 1 . 2]" 1
591 1 18 VAL MG2 1 55 VAL HA . . 5.020 3.362 1.968 4.232 . 0 0 "[ . 1 . 2]" 1
592 1 18 VAL MG2 1 55 VAL QG . . 3.080 2.234 1.719 2.820 . 0 0 "[ . 1 . 2]" 1
593 1 18 VAL MG2 1 60 TYR HB2 . . 5.500 3.403 2.989 3.910 . 0 0 "[ . 1 . 2]" 1
594 1 18 VAL MG2 1 60 TYR HB3 . . 5.500 4.037 3.552 4.780 . 0 0 "[ . 1 . 2]" 1
595 1 19 THR H 1 19 THR HB . . 2.790 2.488 2.321 2.554 . 0 0 "[ . 1 . 2]" 1
596 1 19 THR H 1 19 THR MG . . 3.780 3.760 3.712 3.802 0.022 6 0 "[ . 1 . 2]" 1
597 1 19 THR H 1 21 ALA H . . 4.310 4.195 3.990 4.349 0.039 20 0 "[ . 1 . 2]" 1
598 1 19 THR H 1 21 ALA MB . . 4.820 4.782 4.565 4.899 0.079 20 0 "[ . 1 . 2]" 1
599 1 19 THR H 1 31 VAL QG . . 5.440 4.950 4.615 5.245 . 0 0 "[ . 1 . 2]" 1
600 1 19 THR H 1 33 VAL QG . . 4.570 3.251 2.810 3.968 . 0 0 "[ . 1 . 2]" 1
601 1 19 THR H 1 55 VAL QG . . 5.500 5.334 4.852 5.595 0.095 6 0 "[ . 1 . 2]" 1
602 1 19 THR HA 1 19 THR MG . . 2.980 2.495 2.419 2.616 . 0 0 "[ . 1 . 2]" 1
603 1 19 THR HA 1 21 ALA H . . 4.720 4.571 4.309 4.759 0.039 6 0 "[ . 1 . 2]" 1
604 1 19 THR HA 1 21 ALA MB . . 5.170 5.085 4.867 5.247 0.077 7 0 "[ . 1 . 2]" 1
605 1 19 THR HA 1 22 LEU H . . 3.860 3.650 3.404 3.872 0.012 2 0 "[ . 1 . 2]" 1
606 1 19 THR HA 1 22 LEU HB2 . . 4.210 2.906 2.554 3.309 . 0 0 "[ . 1 . 2]" 1
607 1 19 THR HA 1 22 LEU HB3 . . 5.000 4.482 3.966 4.897 . 0 0 "[ . 1 . 2]" 1
608 1 19 THR HA 1 22 LEU QD . . 4.050 2.779 2.373 3.334 . 0 0 "[ . 1 . 2]" 1
609 1 19 THR HA 1 22 LEU HG . . 5.170 4.501 4.120 5.189 0.019 5 0 "[ . 1 . 2]" 1
610 1 19 THR HA 1 23 LYS H . . 5.040 4.394 4.143 4.651 . 0 0 "[ . 1 . 2]" 1
611 1 19 THR HA 1 31 VAL HB . . 5.330 3.837 3.199 4.445 . 0 0 "[ . 1 . 2]" 1
612 1 19 THR HA 1 31 VAL MG1 . . 4.630 3.545 2.572 4.398 . 0 0 "[ . 1 . 2]" 1
613 1 19 THR HA 1 31 VAL QG . . 3.270 2.814 2.529 3.270 . 0 0 "[ . 1 . 2]" 1
614 1 19 THR HA 1 31 VAL MG2 . . 4.630 3.315 2.621 3.957 . 0 0 "[ . 1 . 2]" 1
615 1 19 THR HA 1 33 VAL HB . . 5.500 4.509 4.168 5.119 . 0 0 "[ . 1 . 2]" 1
616 1 19 THR HA 1 33 VAL QG . . 3.590 2.501 2.258 3.094 . 0 0 "[ . 1 . 2]" 1
617 1 19 THR HB 1 20 LYS H . . 2.780 2.469 2.205 2.802 0.022 20 0 "[ . 1 . 2]" 1
618 1 19 THR HB 1 20 LYS QB . . 4.640 4.367 3.691 4.709 0.069 16 0 "[ . 1 . 2]" 1
619 1 19 THR HB 1 20 LYS QG . . 5.340 3.904 3.020 5.419 0.079 9 0 "[ . 1 . 2]" 1
620 1 19 THR HB 1 21 ALA H . . 5.300 4.958 4.699 5.227 . 0 0 "[ . 1 . 2]" 1
621 1 19 THR HB 1 23 LYS QD . . 5.500 4.834 4.210 5.493 . 0 0 "[ . 1 . 2]" 1
622 1 19 THR HB 1 33 VAL HB . . 5.250 4.967 4.524 5.304 0.054 15 0 "[ . 1 . 2]" 1
623 1 19 THR HB 1 33 VAL QG . . 5.400 3.954 3.757 4.390 . 0 0 "[ . 1 . 2]" 1
624 1 19 THR MG 1 20 LYS H . . 3.510 3.334 3.031 3.569 0.059 17 0 "[ . 1 . 2]" 1
625 1 19 THR MG 1 20 LYS HA . . 3.860 3.500 3.262 3.730 . 0 0 "[ . 1 . 2]" 1
626 1 19 THR MG 1 20 LYS QB . . 5.160 4.509 3.858 4.856 . 0 0 "[ . 1 . 2]" 1
627 1 19 THR MG 1 22 LEU HB2 . . 4.680 4.277 3.869 4.678 . 0 0 "[ . 1 . 2]" 1
628 1 19 THR MG 1 22 LEU QD . . 4.960 4.239 3.770 4.720 . 0 0 "[ . 1 . 2]" 1
629 1 19 THR MG 1 23 LYS H . . 4.610 4.486 4.209 4.679 0.069 11 0 "[ . 1 . 2]" 1
630 1 19 THR MG 1 23 LYS QB . . 5.500 4.313 3.934 4.790 . 0 0 "[ . 1 . 2]" 1
631 1 19 THR MG 1 23 LYS QD . . 4.600 2.620 2.041 3.504 . 0 0 "[ . 1 . 2]" 1
632 1 19 THR MG 1 23 LYS HE2 . . 4.450 3.703 1.860 4.513 0.063 13 0 "[ . 1 . 2]" 1
633 1 19 THR MG 1 23 LYS QE . . 3.880 3.163 1.829 3.976 0.096 18 0 "[ . 1 . 2]" 1
634 1 19 THR MG 1 23 LYS HE3 . . 4.450 3.611 2.196 4.430 . 0 0 "[ . 1 . 2]" 1
635 1 19 THR MG 1 23 LYS HG2 . . 4.480 4.303 2.881 4.565 0.085 4 0 "[ . 1 . 2]" 1
636 1 19 THR MG 1 23 LYS QG . . 3.900 3.218 2.537 3.437 . 0 0 "[ . 1 . 2]" 1
637 1 19 THR MG 1 23 LYS HG3 . . 4.480 3.334 2.685 3.575 . 0 0 "[ . 1 . 2]" 1
638 1 19 THR MG 1 31 VAL H . . 5.030 4.335 3.834 4.752 . 0 0 "[ . 1 . 2]" 1
639 1 19 THR MG 1 31 VAL HB . . 3.880 3.061 2.094 3.958 0.078 7 0 "[ . 1 . 2]" 1
640 1 19 THR MG 1 31 VAL QG . . 3.010 2.461 1.921 3.130 0.120 12 0 "[ . 1 . 2]" 1
641 1 19 THR MG 1 33 VAL H . . 5.110 4.198 3.660 4.678 . 0 0 "[ . 1 . 2]" 1
642 1 20 LYS H 1 20 LYS HA . . 2.940 2.857 2.798 2.913 . 0 0 "[ . 1 . 2]" 1
643 1 20 LYS H 1 20 LYS QB . . 2.700 2.318 2.119 2.572 . 0 0 "[ . 1 . 2]" 1
644 1 20 LYS H 1 20 LYS QD . . 5.030 3.855 2.328 4.604 . 0 0 "[ . 1 . 2]" 1
645 1 20 LYS H 1 20 LYS HG2 . . 4.680 3.491 2.248 4.517 . 0 0 "[ . 1 . 2]" 1
646 1 20 LYS H 1 20 LYS QG . . 4.030 2.782 2.219 3.911 . 0 0 "[ . 1 . 2]" 1
647 1 20 LYS H 1 20 LYS HG3 . . 4.680 3.264 2.256 4.487 . 0 0 "[ . 1 . 2]" 1
648 1 20 LYS H 1 21 ALA H . . 2.900 2.740 2.614 2.883 . 0 0 "[ . 1 . 2]" 1
649 1 20 LYS H 1 21 ALA MB . . 4.680 4.370 4.211 4.525 . 0 0 "[ . 1 . 2]" 1
650 1 20 LYS H 1 22 LEU HB2 . . 5.500 5.254 4.900 5.476 . 0 0 "[ . 1 . 2]" 1
651 1 20 LYS H 1 33 VAL QG . . 5.500 5.036 4.766 5.581 0.081 15 0 "[ . 1 . 2]" 1
652 1 20 LYS HA 1 20 LYS QE . . 5.340 4.284 3.272 4.957 . 0 0 "[ . 1 . 2]" 1
653 1 20 LYS HA 1 20 LYS HG2 . . 3.800 2.749 2.428 3.650 . 0 0 "[ . 1 . 2]" 1
654 1 20 LYS HA 1 20 LYS QG . . 3.300 2.483 2.149 3.120 . 0 0 "[ . 1 . 2]" 1
655 1 20 LYS HA 1 20 LYS HG3 . . 3.800 3.095 2.206 3.785 . 0 0 "[ . 1 . 2]" 1
656 1 20 LYS HA 1 21 ALA H . . 3.500 3.555 3.521 3.566 0.066 7 0 "[ . 1 . 2]" 1
657 1 20 LYS HA 1 22 LEU H . . 4.340 4.359 3.939 4.416 0.076 13 0 "[ . 1 . 2]" 1
658 1 20 LYS HA 1 22 LEU HB2 . . 5.500 5.190 4.982 5.395 . 0 0 "[ . 1 . 2]" 1
659 1 20 LYS HA 1 23 LYS H . . 3.860 3.325 2.952 3.604 . 0 0 "[ . 1 . 2]" 1
660 1 20 LYS HA 1 23 LYS QD . . 4.160 3.030 2.119 4.252 0.092 3 0 "[ . 1 . 2]" 1
661 1 20 LYS HA 1 23 LYS QE . . 5.340 4.494 2.239 5.417 0.077 7 0 "[ . 1 . 2]" 1
662 1 20 LYS HA 1 23 LYS QG . . 4.260 3.481 2.209 3.919 . 0 0 "[ . 1 . 2]" 1
663 1 20 LYS HA 1 24 LYS H . . 5.290 4.884 4.096 5.350 0.060 20 0 "[ . 1 . 2]" 1
664 1 20 LYS HA 1 31 VAL QG . . 5.440 4.662 4.112 5.121 . 0 0 "[ . 1 . 2]" 1
665 1 20 LYS QB 1 20 LYS QD . . 3.020 2.315 2.090 2.773 . 0 0 "[ . 1 . 2]" 1
666 1 20 LYS QB 1 21 ALA H . . 3.050 2.707 2.520 3.097 0.047 11 0 "[ . 1 . 2]" 1
667 1 20 LYS QB 1 21 ALA HA . . 4.980 3.967 3.817 4.246 . 0 0 "[ . 1 . 2]" 1
668 1 20 LYS QB 1 22 LEU H . . 5.160 4.802 4.695 5.023 . 0 0 "[ . 1 . 2]" 1
669 1 20 LYS QD 1 21 ALA H . . 5.500 4.858 3.849 5.240 . 0 0 "[ . 1 . 2]" 1
670 1 20 LYS QG 1 21 ALA H . . 4.830 4.252 3.832 4.664 . 0 0 "[ . 1 . 2]" 1
671 1 20 LYS HG2 1 21 ALA H . . 5.500 4.816 4.027 5.290 . 0 0 "[ . 1 . 2]" 1
672 1 20 LYS HG3 1 21 ALA H . . 5.500 4.846 4.428 5.517 0.017 11 0 "[ . 1 . 2]" 1
673 1 21 ALA H 1 21 ALA MB . . 2.550 2.196 2.115 2.263 . 0 0 "[ . 1 . 2]" 1
674 1 21 ALA H 1 22 LEU H . . 3.030 2.711 2.556 2.920 . 0 0 "[ . 1 . 2]" 1
675 1 21 ALA H 1 22 LEU HB2 . . 4.760 4.707 4.474 4.814 0.054 5 0 "[ . 1 . 2]" 1
676 1 21 ALA H 1 22 LEU QD . . 5.440 4.896 4.696 5.190 . 0 0 "[ . 1 . 2]" 1
677 1 21 ALA H 1 22 LEU HG . . 5.420 5.031 4.693 5.410 . 0 0 "[ . 1 . 2]" 1
678 1 21 ALA H 1 24 LYS QD . . 5.500 5.059 4.333 5.575 0.075 20 0 "[ . 1 . 2]" 1
679 1 21 ALA H 1 24 LYS QG . . 5.500 4.832 4.291 5.596 0.096 17 0 "[ . 1 . 2]" 1
680 1 21 ALA H 1 55 VAL QG . . 5.500 5.260 4.333 5.608 0.108 20 0 "[ . 1 . 2]" 1
681 1 21 ALA H 1 58 GLU QG . . 4.650 4.036 3.728 4.451 . 0 0 "[ . 1 . 2]" 1
682 1 21 ALA HA 1 23 LYS H . . 4.790 4.329 3.966 4.697 . 0 0 "[ . 1 . 2]" 1
683 1 21 ALA HA 1 24 LYS H . . 4.150 3.556 3.082 3.823 . 0 0 "[ . 1 . 2]" 1
684 1 21 ALA HA 1 24 LYS QB . . 4.140 3.546 2.485 4.014 . 0 0 "[ . 1 . 2]" 1
685 1 21 ALA HA 1 24 LYS QD . . 4.040 2.704 2.001 3.971 . 0 0 "[ . 1 . 2]" 1
686 1 21 ALA HA 1 24 LYS QE . . 4.390 3.228 1.942 4.459 0.069 14 0 "[ . 1 . 2]" 1
687 1 21 ALA HA 1 24 LYS QG . . 3.900 2.605 2.075 3.439 . 0 0 "[ . 1 . 2]" 1
688 1 21 ALA HA 1 58 GLU QG . . 5.500 4.279 3.885 4.820 . 0 0 "[ . 1 . 2]" 1
689 1 21 ALA MB 1 22 LEU H . . 3.090 2.600 2.365 2.956 . 0 0 "[ . 1 . 2]" 1
690 1 21 ALA MB 1 22 LEU HB2 . . 5.500 4.453 4.071 4.715 . 0 0 "[ . 1 . 2]" 1
691 1 21 ALA MB 1 22 LEU QD . . 5.240 3.912 3.509 4.195 . 0 0 "[ . 1 . 2]" 1
692 1 21 ALA MB 1 23 LYS H . . 4.940 4.504 4.336 4.785 . 0 0 "[ . 1 . 2]" 1
693 1 21 ALA MB 1 55 VAL HA . . 3.890 3.340 2.517 3.931 0.041 4 0 "[ . 1 . 2]" 1
694 1 21 ALA MB 1 57 GLU H . . 5.500 5.205 4.719 5.589 0.089 4 0 "[ . 1 . 2]" 1
695 1 21 ALA MB 1 58 GLU H . . 4.680 4.436 3.981 4.729 0.049 7 0 "[ . 1 . 2]" 1
696 1 21 ALA MB 1 58 GLU HB2 . . 4.380 3.861 3.573 4.306 . 0 0 "[ . 1 . 2]" 1
697 1 21 ALA MB 1 58 GLU HB3 . . 4.740 4.249 4.064 4.515 . 0 0 "[ . 1 . 2]" 1
698 1 21 ALA MB 1 58 GLU QG . . 3.020 2.063 1.956 2.299 . 0 0 "[ . 1 . 2]" 1
699 1 22 LEU H 1 22 LEU HB2 . . 2.810 2.275 2.105 2.416 . 0 0 "[ . 1 . 2]" 1
700 1 22 LEU H 1 22 LEU HB3 . . 3.720 3.558 3.417 3.620 . 0 0 "[ . 1 . 2]" 1
701 1 22 LEU H 1 22 LEU MD1 . . 4.470 3.402 3.147 3.737 . 0 0 "[ . 1 . 2]" 1
702 1 22 LEU H 1 22 LEU QD . . 3.680 3.210 3.041 3.417 . 0 0 "[ . 1 . 2]" 1
703 1 22 LEU H 1 22 LEU MD2 . . 4.470 3.960 3.812 4.098 . 0 0 "[ . 1 . 2]" 1
704 1 22 LEU H 1 22 LEU HG . . 3.370 2.708 2.464 2.921 . 0 0 "[ . 1 . 2]" 1
705 1 22 LEU H 1 23 LYS QB . . 5.490 4.646 4.454 4.803 . 0 0 "[ . 1 . 2]" 1
706 1 22 LEU H 1 23 LYS QD . . 5.500 5.497 4.914 5.587 0.087 12 0 "[ . 1 . 2]" 1
707 1 22 LEU H 1 23 LYS QG . . 4.840 4.345 3.826 4.637 . 0 0 "[ . 1 . 2]" 1
708 1 22 LEU H 1 24 LYS H . . 4.370 4.159 3.992 4.284 . 0 0 "[ . 1 . 2]" 1
709 1 22 LEU H 1 24 LYS QG . . 5.500 4.831 4.360 5.184 . 0 0 "[ . 1 . 2]" 1
710 1 22 LEU H 1 25 VAL MG2 . . 5.500 5.014 4.612 5.580 0.080 20 0 "[ . 1 . 2]" 1
711 1 22 LEU H 1 31 VAL MG1 . . 4.870 4.630 4.280 4.881 0.011 3 0 "[ . 1 . 2]" 1
712 1 22 LEU H 1 31 VAL QG . . 4.200 4.066 3.763 4.303 0.103 1 0 "[ . 1 . 2]" 1
713 1 22 LEU H 1 31 VAL MG2 . . 4.870 4.521 4.054 4.937 0.067 19 0 "[ . 1 . 2]" 1
714 1 22 LEU H 1 55 VAL QG . . 5.460 4.084 3.378 4.568 . 0 0 "[ . 1 . 2]" 1
715 1 22 LEU HA 1 22 LEU MD1 . . 4.040 3.835 3.783 3.908 . 0 0 "[ . 1 . 2]" 1
716 1 22 LEU HA 1 22 LEU QD . . 2.900 2.174 2.030 2.339 . 0 0 "[ . 1 . 2]" 1
717 1 22 LEU HA 1 22 LEU MD2 . . 4.040 2.187 2.038 2.362 . 0 0 "[ . 1 . 2]" 1
718 1 22 LEU HA 1 22 LEU HG . . 3.680 2.622 2.424 2.848 . 0 0 "[ . 1 . 2]" 1
719 1 22 LEU HA 1 24 LYS H . . 4.310 3.835 3.444 4.344 0.034 9 0 "[ . 1 . 2]" 1
720 1 22 LEU HA 1 25 VAL H . . 4.010 3.984 3.781 4.079 0.069 13 0 "[ . 1 . 2]" 1
721 1 22 LEU HA 1 25 VAL HB . . 5.030 4.282 3.866 4.501 . 0 0 "[ . 1 . 2]" 1
722 1 22 LEU HA 1 54 ALA MB . . 3.210 2.547 2.094 2.985 . 0 0 "[ . 1 . 2]" 1
723 1 22 LEU HA 1 55 VAL H . . 5.500 5.328 5.095 5.572 0.072 9 0 "[ . 1 . 2]" 1
724 1 22 LEU HA 1 55 VAL QG . . 4.650 3.856 3.321 4.238 . 0 0 "[ . 1 . 2]" 1
725 1 22 LEU HB2 1 23 LYS H . . 3.330 2.852 2.527 3.076 . 0 0 "[ . 1 . 2]" 1
726 1 22 LEU HB2 1 23 LYS HA . . 4.970 4.693 4.483 4.891 . 0 0 "[ . 1 . 2]" 1
727 1 22 LEU HB2 1 23 LYS QG . . 5.040 3.530 3.292 3.842 . 0 0 "[ . 1 . 2]" 1
728 1 22 LEU HB2 1 31 VAL QG . . 3.500 2.476 2.121 2.953 . 0 0 "[ . 1 . 2]" 1
729 1 22 LEU HB2 1 54 ALA MB . . 5.500 4.853 4.206 5.449 . 0 0 "[ . 1 . 2]" 1
730 1 22 LEU HB3 1 22 LEU MD1 . . 3.430 2.592 2.393 2.758 . 0 0 "[ . 1 . 2]" 1
731 1 22 LEU HB3 1 22 LEU QD . . 2.830 2.144 2.102 2.181 . 0 0 "[ . 1 . 2]" 1
732 1 22 LEU HB3 1 22 LEU MD2 . . 3.430 2.293 2.226 2.383 . 0 0 "[ . 1 . 2]" 1
733 1 22 LEU HB3 1 23 LYS H . . 3.700 3.554 3.299 3.760 0.060 18 0 "[ . 1 . 2]" 1
734 1 22 LEU HB3 1 23 LYS HA . . 5.210 4.319 4.138 4.469 . 0 0 "[ . 1 . 2]" 1
735 1 22 LEU HB3 1 31 VAL HB . . 5.500 4.284 3.445 4.840 . 0 0 "[ . 1 . 2]" 1
736 1 22 LEU HB3 1 31 VAL QG . . 3.570 2.281 2.089 2.676 . 0 0 "[ . 1 . 2]" 1
737 1 22 LEU QD 1 23 LYS QG . . 5.280 4.497 4.262 4.770 . 0 0 "[ . 1 . 2]" 1
738 1 22 LEU QD 1 25 VAL H . . 5.310 5.056 4.802 5.321 0.011 13 0 "[ . 1 . 2]" 1
739 1 22 LEU QD 1 25 VAL HB . . 4.990 4.535 4.259 4.879 . 0 0 "[ . 1 . 2]" 1
740 1 22 LEU QD 1 31 VAL HB . . 5.270 3.665 2.820 4.104 . 0 0 "[ . 1 . 2]" 1
741 1 22 LEU QD 1 31 VAL QG . . 3.840 2.433 1.948 3.158 . 0 0 "[ . 1 . 2]" 1
742 1 22 LEU QD 1 40 ALA MB . . 3.190 2.239 2.008 2.599 . 0 0 "[ . 1 . 2]" 1
743 1 22 LEU QD 1 50 ALA MB . . 5.440 5.341 5.136 5.529 0.089 17 0 "[ . 1 . 2]" 1
744 1 22 LEU QD 1 51 LEU H . . 5.380 4.705 4.517 4.954 . 0 0 "[ . 1 . 2]" 1
745 1 22 LEU QD 1 51 LEU HA . . 3.310 2.541 2.291 2.819 . 0 0 "[ . 1 . 2]" 1
746 1 22 LEU QD 1 51 LEU HB2 . . 4.610 3.752 3.514 4.074 . 0 0 "[ . 1 . 2]" 1
747 1 22 LEU QD 1 51 LEU HB3 . . 3.390 2.414 2.139 2.782 . 0 0 "[ . 1 . 2]" 1
748 1 22 LEU QD 1 51 LEU MD2 . . 2.570 2.036 1.927 2.210 . 0 0 "[ . 1 . 2]" 1
749 1 22 LEU QD 1 51 LEU HG . . 4.270 4.080 3.856 4.365 0.095 20 0 "[ . 1 . 2]" 1
750 1 22 LEU QD 1 52 VAL H . . 4.510 4.354 4.030 4.575 0.065 17 0 "[ . 1 . 2]" 1
751 1 22 LEU QD 1 52 VAL HA . . 4.670 3.798 3.453 4.043 . 0 0 "[ . 1 . 2]" 1
752 1 22 LEU QD 1 54 ALA H . . 4.680 4.234 3.778 4.667 . 0 0 "[ . 1 . 2]" 1
753 1 22 LEU QD 1 54 ALA MB . . 3.210 2.673 2.146 3.300 0.090 8 0 "[ . 1 . 2]" 1
754 1 22 LEU QD 1 55 VAL H . . 4.000 3.804 3.476 4.036 0.036 16 0 "[ . 1 . 2]" 1
755 1 22 LEU QD 1 55 VAL HB . . 4.560 3.970 3.628 4.332 . 0 0 "[ . 1 . 2]" 1
756 1 22 LEU QD 1 55 VAL QG . . 4.050 1.950 1.838 2.187 . 0 0 "[ . 1 . 2]" 1
757 1 22 LEU MD1 1 23 LYS H . . 4.840 4.660 4.422 4.888 0.048 18 0 "[ . 1 . 2]" 1
758 1 22 LEU MD1 1 51 LEU HB3 . . 4.760 4.432 4.152 4.816 0.056 7 0 "[ . 1 . 2]" 1
759 1 22 LEU MD1 1 52 VAL HA . . 5.500 5.460 4.951 5.592 0.092 20 0 "[ . 1 . 2]" 1
760 1 22 LEU MD1 1 55 VAL HA . . 5.500 4.944 4.489 5.535 0.035 8 0 "[ . 1 . 2]" 1
761 1 22 LEU MD1 1 55 VAL HB . . 5.180 4.892 4.469 5.244 0.064 16 0 "[ . 1 . 2]" 1
762 1 22 LEU MD2 1 23 LYS H . . 4.840 4.833 4.683 4.900 0.060 15 0 "[ . 1 . 2]" 1
763 1 22 LEU MD2 1 51 LEU HB3 . . 4.760 2.426 2.144 2.800 . 0 0 "[ . 1 . 2]" 1
764 1 22 LEU MD2 1 52 VAL HA . . 5.500 3.876 3.523 4.151 . 0 0 "[ . 1 . 2]" 1
765 1 22 LEU MD2 1 55 VAL HA . . 5.500 4.722 4.238 5.013 . 0 0 "[ . 1 . 2]" 1
766 1 22 LEU MD2 1 55 VAL HB . . 5.180 4.215 3.742 4.617 . 0 0 "[ . 1 . 2]" 1
767 1 22 LEU HG 1 31 VAL QG . . 4.960 4.186 3.779 4.854 . 0 0 "[ . 1 . 2]" 1
768 1 23 LYS H 1 23 LYS QB . . 3.420 2.393 2.303 2.619 . 0 0 "[ . 1 . 2]" 1
769 1 23 LYS H 1 23 LYS QD . . 5.310 3.735 3.286 4.055 . 0 0 "[ . 1 . 2]" 1
770 1 23 LYS H 1 23 LYS HG2 . . 3.710 3.481 2.071 3.771 0.061 15 0 "[ . 1 . 2]" 1
771 1 23 LYS H 1 23 LYS HG3 . . 3.710 2.497 2.178 3.440 . 0 0 "[ . 1 . 2]" 1
772 1 23 LYS H 1 24 LYS H . . 3.050 2.838 2.607 2.991 . 0 0 "[ . 1 . 2]" 1
773 1 23 LYS H 1 25 VAL H . . 4.480 4.444 4.272 4.545 0.065 20 0 "[ . 1 . 2]" 1
774 1 23 LYS H 1 28 VAL QG . . 4.610 3.741 3.511 3.980 . 0 0 "[ . 1 . 2]" 1
775 1 23 LYS H 1 31 VAL MG1 . . 4.590 4.190 3.587 4.664 0.074 14 0 "[ . 1 . 2]" 1
776 1 23 LYS H 1 31 VAL QG . . 3.640 3.290 3.020 3.514 . 0 0 "[ . 1 . 2]" 1
777 1 23 LYS H 1 31 VAL MG2 . . 4.590 3.556 3.060 4.158 . 0 0 "[ . 1 . 2]" 1
778 1 23 LYS HA 1 23 LYS QD . . 4.280 3.940 2.498 4.172 . 0 0 "[ . 1 . 2]" 1
779 1 23 LYS HA 1 23 LYS QE . . 5.340 4.528 3.918 5.055 . 0 0 "[ . 1 . 2]" 1
780 1 23 LYS HA 1 23 LYS HG2 . . 3.860 2.527 2.276 3.021 . 0 0 "[ . 1 . 2]" 1
781 1 23 LYS HA 1 23 LYS QG . . 3.140 2.391 2.223 2.927 . 0 0 "[ . 1 . 2]" 1
782 1 23 LYS HA 1 23 LYS HG3 . . 3.860 3.003 2.677 3.920 0.060 8 0 "[ . 1 . 2]" 1
783 1 23 LYS HA 1 24 LYS H . . 3.530 3.449 3.227 3.572 0.042 8 0 "[ . 1 . 2]" 1
784 1 23 LYS HA 1 24 LYS HA . . 5.290 4.738 4.677 4.831 . 0 0 "[ . 1 . 2]" 1
785 1 23 LYS HA 1 25 VAL H . . 3.710 3.603 3.357 3.762 0.052 8 0 "[ . 1 . 2]" 1
786 1 23 LYS HA 1 25 VAL MG1 . . 5.500 5.571 5.465 5.595 0.095 17 0 "[ . 1 . 2]" 1
787 1 23 LYS HA 1 25 VAL MG2 . . 5.390 4.707 4.489 5.026 . 0 0 "[ . 1 . 2]" 1
788 1 23 LYS HA 1 28 VAL HB . . 3.910 2.970 2.163 3.957 0.047 19 0 "[ . 1 . 2]" 1
789 1 23 LYS HA 1 28 VAL MG1 . . 3.640 2.074 1.862 2.324 . 0 0 "[ . 1 . 2]" 1
790 1 23 LYS HA 1 28 VAL QG . . 2.880 2.035 1.812 2.255 . 0 0 "[ . 1 . 2]" 1
791 1 23 LYS HA 1 28 VAL MG2 . . 3.640 3.023 2.407 3.510 . 0 0 "[ . 1 . 2]" 1
792 1 23 LYS HA 1 31 VAL QG . . 3.820 3.266 3.059 3.495 . 0 0 "[ . 1 . 2]" 1
793 1 23 LYS HA 1 42 VAL QG . . 5.440 4.885 4.563 5.214 . 0 0 "[ . 1 . 2]" 1
794 1 23 LYS QB 1 23 LYS QD . . 2.940 2.254 2.056 2.774 . 0 0 "[ . 1 . 2]" 1
795 1 23 LYS QB 1 24 LYS H . . 4.580 3.327 2.807 3.726 . 0 0 "[ . 1 . 2]" 1
796 1 23 LYS QD 1 31 VAL H . . 5.500 4.513 2.702 5.578 0.078 17 0 "[ . 1 . 2]" 1
797 1 23 LYS QD 1 31 VAL QG . . 4.510 2.798 1.971 3.776 . 0 0 "[ . 1 . 2]" 1
798 1 23 LYS QE 1 31 VAL H . . 5.340 3.536 2.602 5.166 . 0 0 "[ . 1 . 2]" 1
799 1 23 LYS QE 1 31 VAL HB . . 4.730 4.399 2.924 4.811 0.081 4 0 "[ . 1 . 2]" 1
800 1 23 LYS QE 1 31 VAL QG . . 4.380 2.630 1.880 4.178 . 0 0 "[ . 1 . 2]" 1
801 1 23 LYS QG 1 24 LYS H . . 5.270 4.478 4.186 4.620 . 0 0 "[ . 1 . 2]" 1
802 1 23 LYS QG 1 28 VAL QG . . 3.930 2.531 2.181 3.504 . 0 0 "[ . 1 . 2]" 1
803 1 23 LYS QG 1 31 VAL H . . 4.960 4.331 3.879 4.943 . 0 0 "[ . 1 . 2]" 1
804 1 23 LYS QG 1 31 VAL HB . . 4.200 3.815 3.009 4.276 0.076 2 0 "[ . 1 . 2]" 1
805 1 23 LYS QG 1 31 VAL QG . . 3.430 2.036 1.905 2.515 . 0 0 "[ . 1 . 2]" 1
806 1 23 LYS HG2 1 31 VAL MG1 . . 5.600 3.758 2.278 5.229 . 0 0 "[ . 1 . 2]" 1
807 1 23 LYS HG2 1 31 VAL MG2 . . 5.600 2.577 2.204 2.997 . 0 0 "[ . 1 . 2]" 1
808 1 23 LYS HG3 1 31 VAL MG1 . . 5.600 3.569 2.453 5.302 . 0 0 "[ . 1 . 2]" 1
809 1 23 LYS HG3 1 31 VAL MG2 . . 5.600 2.374 2.006 3.871 . 0 0 "[ . 1 . 2]" 1
810 1 24 LYS H 1 24 LYS QB . . 2.850 2.466 2.367 2.773 . 0 0 "[ . 1 . 2]" 1
811 1 24 LYS H 1 24 LYS QD . . 4.290 3.723 2.894 4.359 0.069 2 0 "[ . 1 . 2]" 1
812 1 24 LYS H 1 24 LYS QG . . 3.140 2.401 2.022 2.703 . 0 0 "[ . 1 . 2]" 1
813 1 24 LYS H 1 25 VAL H . . 2.800 2.496 2.162 2.748 . 0 0 "[ . 1 . 2]" 1
814 1 24 LYS H 1 25 VAL HA . . 5.500 5.019 4.706 5.266 . 0 0 "[ . 1 . 2]" 1
815 1 24 LYS H 1 25 VAL HB . . 5.210 4.595 4.235 4.888 . 0 0 "[ . 1 . 2]" 1
816 1 24 LYS H 1 25 VAL MG2 . . 4.130 3.509 3.062 3.891 . 0 0 "[ . 1 . 2]" 1
817 1 24 LYS H 1 28 VAL MG1 . . 5.490 4.500 3.625 5.119 . 0 0 "[ . 1 . 2]" 1
818 1 24 LYS H 1 28 VAL MG2 . . 5.490 5.010 4.735 5.365 . 0 0 "[ . 1 . 2]" 1
819 1 24 LYS H 1 31 VAL QG . . 5.440 5.159 4.989 5.403 . 0 0 "[ . 1 . 2]" 1
820 1 24 LYS H 1 54 ALA MB . . 5.500 4.164 3.851 4.766 . 0 0 "[ . 1 . 2]" 1
821 1 24 LYS HA 1 24 LYS QD . . 4.620 3.874 2.151 4.629 0.009 18 0 "[ . 1 . 2]" 1
822 1 24 LYS HA 1 24 LYS QG . . 3.530 2.919 2.425 3.385 . 0 0 "[ . 1 . 2]" 1
823 1 24 LYS HA 1 25 VAL MG2 . . 5.500 4.876 4.711 5.054 . 0 0 "[ . 1 . 2]" 1
824 1 24 LYS QB 1 24 LYS QD . . 3.020 2.322 2.031 2.769 . 0 0 "[ . 1 . 2]" 1
825 1 24 LYS QB 1 24 LYS QE . . 4.420 2.855 1.946 3.931 . 0 0 "[ . 1 . 2]" 1
826 1 24 LYS QB 1 25 VAL H . . 3.720 3.295 2.710 3.800 0.080 18 0 "[ . 1 . 2]" 1
827 1 24 LYS QB 1 25 VAL HA . . 5.280 4.183 3.702 4.854 . 0 0 "[ . 1 . 2]" 1
828 1 24 LYS QB 1 25 VAL MG2 . . 4.670 3.658 3.046 4.462 . 0 0 "[ . 1 . 2]" 1
829 1 24 LYS QD 1 24 LYS QG . . 2.400 2.048 1.951 2.126 . 0 0 "[ . 1 . 2]" 1
830 1 24 LYS QG 1 25 VAL H . . 4.610 3.718 2.381 4.518 . 0 0 "[ . 1 . 2]" 1
831 1 25 VAL H 1 25 VAL HB . . 2.640 2.349 2.269 2.511 . 0 0 "[ . 1 . 2]" 1
832 1 25 VAL H 1 25 VAL MG1 . . 3.790 3.695 3.632 3.742 . 0 0 "[ . 1 . 2]" 1
833 1 25 VAL H 1 25 VAL MG2 . . 2.640 2.117 1.957 2.308 . 0 0 "[ . 1 . 2]" 1
834 1 25 VAL H 1 26 PRO QD . . 4.920 4.374 4.230 4.497 . 0 0 "[ . 1 . 2]" 1
835 1 25 VAL H 1 28 VAL HB . . 4.420 3.996 3.564 4.473 0.053 17 0 "[ . 1 . 2]" 1
836 1 25 VAL H 1 28 VAL QG . . 3.640 3.110 2.470 3.500 . 0 0 "[ . 1 . 2]" 1
837 1 25 VAL H 1 46 ALA MB . . 5.500 5.083 4.604 5.394 . 0 0 "[ . 1 . 2]" 1
838 1 25 VAL H 1 51 LEU MD2 . . 4.840 4.413 3.992 4.877 0.037 20 0 "[ . 1 . 2]" 1
839 1 25 VAL H 1 54 ALA MB . . 4.600 4.047 3.770 4.416 . 0 0 "[ . 1 . 2]" 1
840 1 25 VAL HA 1 25 VAL MG1 . . 2.880 2.480 2.333 2.566 . 0 0 "[ . 1 . 2]" 1
841 1 25 VAL HA 1 25 VAL MG2 . . 2.930 2.369 2.176 2.449 . 0 0 "[ . 1 . 2]" 1
842 1 25 VAL HA 1 26 PRO QD . . 2.720 2.047 2.013 2.110 . 0 0 "[ . 1 . 2]" 1
843 1 25 VAL HA 1 26 PRO HG2 . . 5.080 4.424 4.363 4.617 . 0 0 "[ . 1 . 2]" 1
844 1 25 VAL HA 1 26 PRO QG . . 4.220 3.974 3.931 4.065 . 0 0 "[ . 1 . 2]" 1
845 1 25 VAL HA 1 26 PRO HG3 . . 5.080 4.500 4.455 4.545 . 0 0 "[ . 1 . 2]" 1
846 1 25 VAL HA 1 27 GLY H . . 5.500 5.564 5.496 5.582 0.082 7 0 "[ . 1 . 2]" 1
847 1 25 VAL HA 1 46 ALA MB . . 5.000 4.833 4.572 5.019 0.019 16 0 "[ . 1 . 2]" 1
848 1 25 VAL HA 1 50 ALA MB . . 4.590 4.056 3.506 4.624 0.034 10 0 "[ . 1 . 2]" 1
849 1 25 VAL HA 1 51 LEU MD2 . . 5.500 5.179 4.926 5.534 0.034 7 0 "[ . 1 . 2]" 1
850 1 25 VAL HB 1 28 VAL H . . 4.390 3.978 3.840 4.062 . 0 0 "[ . 1 . 2]" 1
851 1 25 VAL HB 1 28 VAL HA . . 5.300 5.179 5.002 5.344 0.044 20 0 "[ . 1 . 2]" 1
852 1 25 VAL HB 1 28 VAL QG . . 3.050 2.277 1.938 3.018 . 0 0 "[ . 1 . 2]" 1
853 1 25 VAL HB 1 46 ALA MB . . 4.080 3.218 2.740 3.483 . 0 0 "[ . 1 . 2]" 1
854 1 25 VAL HB 1 51 LEU HA . . 5.330 4.307 4.049 4.688 . 0 0 "[ . 1 . 2]" 1
855 1 25 VAL HB 1 51 LEU MD2 . . 3.440 2.874 2.673 3.208 . 0 0 "[ . 1 . 2]" 1
856 1 25 VAL MG1 1 26 PRO HA . . 5.080 4.277 4.162 4.376 . 0 0 "[ . 1 . 2]" 1
857 1 25 VAL MG1 1 26 PRO HD2 . . 3.570 2.203 1.959 2.407 . 0 0 "[ . 1 . 2]" 1
858 1 25 VAL MG1 1 26 PRO QD . . 2.850 2.182 1.942 2.374 . 0 0 "[ . 1 . 2]" 1
859 1 25 VAL MG1 1 26 PRO HD3 . . 3.570 3.553 3.197 3.637 0.067 2 0 "[ . 1 . 2]" 1
860 1 25 VAL MG1 1 26 PRO QG . . 4.890 3.421 3.210 3.704 . 0 0 "[ . 1 . 2]" 1
861 1 25 VAL MG1 1 27 GLY QA . . 5.340 4.011 3.722 4.369 . 0 0 "[ . 1 . 2]" 1
862 1 25 VAL MG1 1 28 VAL H . . 3.990 3.670 3.385 3.829 . 0 0 "[ . 1 . 2]" 1
863 1 25 VAL MG1 1 46 ALA HA . . 4.660 3.447 2.691 3.831 . 0 0 "[ . 1 . 2]" 1
864 1 25 VAL MG1 1 47 ASP H . . 3.990 3.363 2.730 3.731 . 0 0 "[ . 1 . 2]" 1
865 1 25 VAL MG1 1 47 ASP QB . . 4.450 4.183 3.463 4.532 0.082 5 0 "[ . 1 . 2]" 1
866 1 25 VAL MG1 1 50 ALA H . . 5.030 4.405 4.037 4.786 . 0 0 "[ . 1 . 2]" 1
867 1 25 VAL MG1 1 50 ALA HA . . 4.690 4.225 4.052 4.444 . 0 0 "[ . 1 . 2]" 1
868 1 25 VAL MG1 1 50 ALA MB . . 2.690 2.072 1.957 2.423 . 0 0 "[ . 1 . 2]" 1
869 1 25 VAL MG1 1 51 LEU H . . 4.400 3.655 3.166 4.030 . 0 0 "[ . 1 . 2]" 1
870 1 25 VAL MG1 1 51 LEU HA . . 4.150 3.368 2.774 3.790 . 0 0 "[ . 1 . 2]" 1
871 1 25 VAL MG1 1 51 LEU HG . . 4.250 2.772 2.149 3.833 . 0 0 "[ . 1 . 2]" 1
872 1 25 VAL MG2 1 26 PRO HD2 . . 4.440 3.583 3.217 3.890 . 0 0 "[ . 1 . 2]" 1
873 1 25 VAL MG2 1 26 PRO QD . . 3.870 3.402 3.097 3.626 . 0 0 "[ . 1 . 2]" 1
874 1 25 VAL MG2 1 26 PRO HD3 . . 4.440 4.251 4.034 4.374 . 0 0 "[ . 1 . 2]" 1
875 1 25 VAL MG2 1 28 VAL H . . 5.290 5.351 5.274 5.378 0.088 1 0 "[ . 1 . 2]" 1
876 1 25 VAL MG2 1 28 VAL HB . . 4.790 4.536 4.172 4.863 0.073 6 0 "[ . 1 . 2]" 1
877 1 25 VAL MG2 1 50 ALA HA . . 5.500 4.192 3.712 4.772 . 0 0 "[ . 1 . 2]" 1
878 1 25 VAL MG2 1 50 ALA MB . . 3.470 2.859 2.277 3.467 . 0 0 "[ . 1 . 2]" 1
879 1 25 VAL MG2 1 51 LEU H . . 4.500 3.956 3.541 4.315 . 0 0 "[ . 1 . 2]" 1
880 1 25 VAL MG2 1 51 LEU HA . . 3.010 2.266 1.994 2.878 . 0 0 "[ . 1 . 2]" 1
881 1 25 VAL MG2 1 51 LEU HB2 . . 5.330 4.770 4.304 5.305 . 0 0 "[ . 1 . 2]" 1
882 1 25 VAL MG2 1 52 VAL H . . 5.500 5.255 5.005 5.567 0.067 9 0 "[ . 1 . 2]" 1
883 1 25 VAL MG2 1 53 GLN H . . 5.500 5.255 4.948 5.501 0.001 3 0 "[ . 1 . 2]" 1
884 1 25 VAL MG2 1 54 ALA H . . 4.160 3.609 3.342 3.878 . 0 0 "[ . 1 . 2]" 1
885 1 25 VAL MG2 1 54 ALA HA . . 5.030 4.253 3.951 4.744 . 0 0 "[ . 1 . 2]" 1
886 1 25 VAL MG2 1 54 ALA MB . . 2.670 2.161 2.004 2.525 . 0 0 "[ . 1 . 2]" 1
887 1 25 VAL MG2 1 55 VAL H . . 5.500 5.212 4.766 5.537 0.037 3 0 "[ . 1 . 2]" 1
888 1 26 PRO HA 1 27 GLY H . . 2.530 2.096 1.975 2.215 . 0 0 "[ . 1 . 2]" 1
889 1 26 PRO HA 1 27 GLY QA . . 4.430 3.924 3.884 3.967 . 0 0 "[ . 1 . 2]" 1
890 1 26 PRO HA 1 28 VAL H . . 4.150 3.652 3.467 3.818 . 0 0 "[ . 1 . 2]" 1
891 1 26 PRO QB 1 27 GLY H . . 3.930 3.578 3.375 3.768 . 0 0 "[ . 1 . 2]" 1
892 1 26 PRO HB2 1 27 GLY H . . 4.530 3.886 3.645 4.120 . 0 0 "[ . 1 . 2]" 1
893 1 26 PRO HB3 1 27 GLY H . . 4.530 4.187 3.985 4.363 . 0 0 "[ . 1 . 2]" 1
894 1 26 PRO QD 1 50 ALA MB . . 4.380 3.374 2.608 3.842 . 0 0 "[ . 1 . 2]" 1
895 1 26 PRO HD2 1 27 GLY H . . 5.500 5.313 5.160 5.407 . 0 0 "[ . 1 . 2]" 1
896 1 26 PRO HD2 1 50 ALA MB . . 5.160 3.448 2.644 3.953 . 0 0 "[ . 1 . 2]" 1
897 1 26 PRO HD3 1 27 GLY H . . 5.500 5.314 5.256 5.386 . 0 0 "[ . 1 . 2]" 1
898 1 26 PRO HD3 1 50 ALA MB . . 5.160 4.805 3.943 5.240 0.080 10 0 "[ . 1 . 2]" 1
899 1 27 GLY H 1 28 VAL H . . 3.040 2.204 1.876 2.449 . 0 0 "[ . 1 . 2]" 1
900 1 27 GLY H 1 28 VAL HB . . 5.200 4.554 3.977 4.993 . 0 0 "[ . 1 . 2]" 1
901 1 27 GLY H 1 28 VAL QG . . 5.000 3.735 3.131 4.308 . 0 0 "[ . 1 . 2]" 1
902 1 27 GLY H 1 46 ALA MB . . 4.880 4.188 3.842 4.447 . 0 0 "[ . 1 . 2]" 1
903 1 27 GLY QA 1 28 VAL H . . 3.070 3.005 2.955 3.054 . 0 0 "[ . 1 . 2]" 1
904 1 27 GLY QA 1 28 VAL HA . . 4.830 4.071 4.019 4.140 . 0 0 "[ . 1 . 2]" 1
905 1 27 GLY QA 1 45 THR H . . 3.910 3.408 3.089 3.800 . 0 0 "[ . 1 . 2]" 1
906 1 27 GLY QA 1 46 ALA H . . 4.400 3.290 2.997 3.717 . 0 0 "[ . 1 . 2]" 1
907 1 27 GLY QA 1 46 ALA HA . . 5.060 2.794 2.352 3.162 . 0 0 "[ . 1 . 2]" 1
908 1 27 GLY QA 1 46 ALA MB . . 3.840 2.907 2.404 3.509 . 0 0 "[ . 1 . 2]" 1
909 1 27 GLY HA2 1 45 THR H . . 4.670 3.928 3.628 4.430 . 0 0 "[ . 1 . 2]" 1
910 1 27 GLY HA3 1 45 THR H . . 4.670 3.748 3.339 4.136 . 0 0 "[ . 1 . 2]" 1
911 1 28 VAL H 1 28 VAL HB . . 2.650 2.485 2.330 2.623 . 0 0 "[ . 1 . 2]" 1
912 1 28 VAL H 1 28 VAL MG1 . . 3.880 3.067 1.873 3.839 . 0 0 "[ . 1 . 2]" 1
913 1 28 VAL H 1 28 VAL QG . . 2.630 2.234 1.869 2.502 . 0 0 "[ . 1 . 2]" 1
914 1 28 VAL H 1 28 VAL MG2 . . 3.880 2.972 2.288 3.804 . 0 0 "[ . 1 . 2]" 1
915 1 28 VAL H 1 29 GLU H . . 4.660 4.480 4.116 4.667 0.007 20 0 "[ . 1 . 2]" 1
916 1 28 VAL H 1 46 ALA HA . . 5.220 4.839 3.922 5.283 0.063 14 0 "[ . 1 . 2]" 1
917 1 28 VAL H 1 46 ALA MB . . 3.570 2.999 2.619 3.316 . 0 0 "[ . 1 . 2]" 1
918 1 28 VAL HA 1 28 VAL MG1 . . 3.340 2.724 2.325 3.238 . 0 0 "[ . 1 . 2]" 1
919 1 28 VAL HA 1 28 VAL QG . . 2.900 2.157 2.038 2.314 . 0 0 "[ . 1 . 2]" 1
920 1 28 VAL HA 1 28 VAL MG2 . . 3.340 2.299 2.241 2.373 . 0 0 "[ . 1 . 2]" 1
921 1 28 VAL HA 1 29 GLU H . . 2.550 2.159 2.012 2.322 . 0 0 "[ . 1 . 2]" 1
922 1 28 VAL HA 1 29 GLU HA . . 4.710 4.453 4.374 4.525 . 0 0 "[ . 1 . 2]" 1
923 1 28 VAL HA 1 29 GLU HB2 . . 4.960 4.354 4.140 4.573 . 0 0 "[ . 1 . 2]" 1
924 1 28 VAL HA 1 29 GLU HG2 . . 5.250 4.170 3.431 5.177 . 0 0 "[ . 1 . 2]" 1
925 1 28 VAL HA 1 29 GLU QG . . 4.630 3.703 3.334 4.082 . 0 0 "[ . 1 . 2]" 1
926 1 28 VAL HA 1 29 GLU HG3 . . 5.250 4.747 3.404 5.322 0.072 14 0 "[ . 1 . 2]" 1
927 1 28 VAL HA 1 30 LYS H . . 4.270 4.166 3.635 4.347 0.077 18 0 "[ . 1 . 2]" 1
928 1 28 VAL HA 1 42 VAL QG . . 3.830 3.134 2.905 3.494 . 0 0 "[ . 1 . 2]" 1
929 1 28 VAL HA 1 44 GLY H . . 5.500 3.652 3.205 4.981 . 0 0 "[ . 1 . 2]" 1
930 1 28 VAL HA 1 44 GLY QA . . 3.640 2.156 2.010 2.596 . 0 0 "[ . 1 . 2]" 1
931 1 28 VAL HA 1 45 THR H . . 4.330 3.673 3.143 4.040 . 0 0 "[ . 1 . 2]" 1
932 1 28 VAL HA 1 46 ALA H . . 4.640 3.324 2.704 3.701 . 0 0 "[ . 1 . 2]" 1
933 1 28 VAL HA 1 46 ALA MB . . 3.950 3.089 2.584 3.374 . 0 0 "[ . 1 . 2]" 1
934 1 28 VAL HA 1 51 LEU MD2 . . 5.010 4.374 4.162 4.594 . 0 0 "[ . 1 . 2]" 1
935 1 28 VAL HB 1 29 GLU H . . 4.580 4.195 3.932 4.472 . 0 0 "[ . 1 . 2]" 1
936 1 28 VAL HB 1 31 VAL QG . . 4.300 4.073 3.963 4.295 . 0 0 "[ . 1 . 2]" 1
937 1 28 VAL HB 1 46 ALA MB . . 4.090 3.362 2.125 4.154 0.064 10 0 "[ . 1 . 2]" 1
938 1 28 VAL QG 1 29 GLU H . . 3.030 2.565 2.094 3.126 0.096 14 0 "[ . 1 . 2]" 1
939 1 28 VAL QG 1 29 GLU HA . . 4.170 3.773 3.487 4.199 0.029 10 0 "[ . 1 . 2]" 1
940 1 28 VAL QG 1 30 LYS H . . 3.110 3.154 2.933 3.212 0.102 7 0 "[ . 1 . 2]" 1
941 1 28 VAL QG 1 30 LYS HA . . 5.150 3.706 3.363 4.010 . 0 0 "[ . 1 . 2]" 1
942 1 28 VAL QG 1 31 VAL H . . 5.050 4.367 4.126 4.624 . 0 0 "[ . 1 . 2]" 1
943 1 28 VAL QG 1 31 VAL HA . . 4.730 4.095 3.884 4.279 . 0 0 "[ . 1 . 2]" 1
944 1 28 VAL QG 1 31 VAL HB . . 4.540 4.244 4.110 4.557 0.017 15 0 "[ . 1 . 2]" 1
945 1 28 VAL QG 1 42 VAL HA . . 4.140 3.813 3.658 4.089 . 0 0 "[ . 1 . 2]" 1
946 1 28 VAL QG 1 42 VAL HB . . 4.470 4.336 4.043 4.558 0.088 12 0 "[ . 1 . 2]" 1
947 1 28 VAL QG 1 42 VAL QG . . 2.870 1.993 1.884 2.156 . 0 0 "[ . 1 . 2]" 1
948 1 28 VAL QG 1 43 GLU H . . 3.980 3.774 3.253 4.061 0.081 19 0 "[ . 1 . 2]" 1
949 1 28 VAL QG 1 44 GLY QA . . 5.280 3.204 2.948 3.494 . 0 0 "[ . 1 . 2]" 1
950 1 28 VAL QG 1 45 THR H . . 5.440 4.593 4.207 4.978 . 0 0 "[ . 1 . 2]" 1
951 1 28 VAL QG 1 46 ALA H . . 4.100 3.689 3.358 4.206 0.106 20 0 "[ . 1 . 2]" 1
952 1 28 VAL MG1 1 29 GLU H . . 3.960 3.171 2.422 3.986 0.026 12 0 "[ . 1 . 2]" 1
953 1 28 VAL MG1 1 46 ALA H . . 5.030 5.090 4.926 5.128 0.098 15 0 "[ . 1 . 2]" 1
954 1 28 VAL MG2 1 29 GLU H . . 3.960 3.283 2.111 4.019 0.059 3 0 "[ . 1 . 2]" 1
955 1 28 VAL MG2 1 46 ALA H . . 5.030 3.807 3.406 4.469 . 0 0 "[ . 1 . 2]" 1
956 1 29 GLU H 1 29 GLU HB2 . . 3.280 2.445 2.189 2.754 . 0 0 "[ . 1 . 2]" 1
957 1 29 GLU H 1 29 GLU HB3 . . 3.860 3.637 3.480 3.849 . 0 0 "[ . 1 . 2]" 1
958 1 29 GLU H 1 29 GLU HG2 . . 3.990 3.101 2.064 4.057 0.067 18 0 "[ . 1 . 2]" 1
959 1 29 GLU H 1 29 GLU HG3 . . 3.990 3.537 2.724 4.067 0.077 11 0 "[ . 1 . 2]" 1
960 1 29 GLU H 1 30 LYS H . . 2.750 2.341 2.114 2.795 0.045 3 0 "[ . 1 . 2]" 1
961 1 29 GLU H 1 31 VAL QG . . 5.340 4.353 3.869 5.037 . 0 0 "[ . 1 . 2]" 1
962 1 29 GLU H 1 42 VAL QG . . 4.130 3.611 3.147 4.087 . 0 0 "[ . 1 . 2]" 1
963 1 29 GLU H 1 43 GLU QB . . 5.130 4.461 4.044 5.091 . 0 0 "[ . 1 . 2]" 1
964 1 29 GLU H 1 44 GLY HA2 . . 3.950 3.116 2.451 3.694 . 0 0 "[ . 1 . 2]" 1
965 1 29 GLU H 1 44 GLY QA . . 3.190 2.191 1.793 2.491 . 0 0 "[ . 1 . 2]" 1
966 1 29 GLU H 1 44 GLY HA3 . . 3.950 2.247 1.809 2.537 . 0 0 "[ . 1 . 2]" 1
967 1 29 GLU H 1 45 THR H . . 4.800 4.333 3.697 4.857 0.057 5 0 "[ . 1 . 2]" 1
968 1 29 GLU HA 1 29 GLU HG2 . . 3.860 2.748 2.223 3.226 . 0 0 "[ . 1 . 2]" 1
969 1 29 GLU HA 1 29 GLU QG . . 3.360 2.657 2.173 3.053 . 0 0 "[ . 1 . 2]" 1
970 1 29 GLU HA 1 29 GLU HG3 . . 3.860 3.554 3.067 3.892 0.032 15 0 "[ . 1 . 2]" 1
971 1 29 GLU HA 1 44 GLY QA . . 5.340 4.368 4.031 4.777 . 0 0 "[ . 1 . 2]" 1
972 1 29 GLU HB2 1 30 LYS H . . 3.310 2.341 1.957 2.713 . 0 0 "[ . 1 . 2]" 1
973 1 29 GLU HB2 1 44 GLY HA2 . . 4.760 2.763 2.206 3.202 . 0 0 "[ . 1 . 2]" 1
974 1 29 GLU HB2 1 44 GLY HA3 . . 4.760 3.314 2.753 3.676 . 0 0 "[ . 1 . 2]" 1
975 1 29 GLU HB3 1 29 GLU QG . . 2.610 2.421 2.353 2.559 . 0 0 "[ . 1 . 2]" 1
976 1 29 GLU HB3 1 30 LYS H . . 3.830 3.326 2.911 3.670 . 0 0 "[ . 1 . 2]" 1
977 1 29 GLU HB3 1 44 GLY HA2 . . 5.080 4.321 3.798 4.879 . 0 0 "[ . 1 . 2]" 1
978 1 29 GLU HB3 1 44 GLY HA3 . . 5.080 4.899 4.387 5.143 0.063 16 0 "[ . 1 . 2]" 1
979 1 29 GLU QG 1 30 LYS H . . 4.330 3.994 3.690 4.208 . 0 0 "[ . 1 . 2]" 1
980 1 29 GLU QG 1 44 GLY QA . . 3.360 2.425 1.978 3.014 . 0 0 "[ . 1 . 2]" 1
981 1 29 GLU QG 1 45 THR H . . 4.630 3.481 3.000 4.165 . 0 0 "[ . 1 . 2]" 1
982 1 29 GLU HG2 1 30 LYS H . . 5.120 4.510 4.064 4.952 . 0 0 "[ . 1 . 2]" 1
983 1 29 GLU HG2 1 44 GLY HA2 . . 4.460 3.346 2.354 4.493 0.033 5 0 "[ . 1 . 2]" 1
984 1 29 GLU HG2 1 44 GLY HA3 . . 4.460 3.635 2.410 4.518 0.058 5 0 "[ . 1 . 2]" 1
985 1 29 GLU HG3 1 30 LYS H . . 5.120 4.527 4.130 5.010 . 0 0 "[ . 1 . 2]" 1
986 1 29 GLU HG3 1 44 GLY HA2 . . 4.460 2.873 2.254 3.964 . 0 0 "[ . 1 . 2]" 1
987 1 29 GLU HG3 1 44 GLY HA3 . . 4.460 3.685 2.588 4.512 0.052 16 0 "[ . 1 . 2]" 1
988 1 30 LYS H 1 30 LYS HG2 . . 5.210 4.703 4.451 4.975 . 0 0 "[ . 1 . 2]" 1
989 1 30 LYS H 1 30 LYS QG . . 4.480 4.094 3.368 4.340 . 0 0 "[ . 1 . 2]" 1
990 1 30 LYS H 1 30 LYS HG3 . . 5.210 4.560 3.487 5.075 . 0 0 "[ . 1 . 2]" 1
991 1 30 LYS H 1 31 VAL H . . 4.710 4.390 4.345 4.516 . 0 0 "[ . 1 . 2]" 1
992 1 30 LYS H 1 31 VAL HA . . 5.100 4.832 4.715 5.085 . 0 0 "[ . 1 . 2]" 1
993 1 30 LYS H 1 31 VAL QG . . 4.290 3.888 3.589 4.152 . 0 0 "[ . 1 . 2]" 1
994 1 30 LYS H 1 42 VAL HA . . 4.990 4.844 4.471 5.047 0.057 11 0 "[ . 1 . 2]" 1
995 1 30 LYS H 1 42 VAL QG . . 4.150 3.874 3.505 4.218 0.068 18 0 "[ . 1 . 2]" 1
996 1 30 LYS H 1 43 GLU H . . 3.220 3.239 3.050 3.289 0.069 1 0 "[ . 1 . 2]" 1
997 1 30 LYS H 1 43 GLU HA . . 5.500 5.132 4.642 5.375 . 0 0 "[ . 1 . 2]" 1
998 1 30 LYS H 1 43 GLU HB2 . . 4.270 3.853 2.967 4.333 0.063 2 0 "[ . 1 . 2]" 1
999 1 30 LYS H 1 43 GLU QB . . 3.700 2.842 2.455 3.488 . 0 0 "[ . 1 . 2]" 1
1000 1 30 LYS H 1 43 GLU HB3 . . 4.270 3.087 2.475 4.260 . 0 0 "[ . 1 . 2]" 1
1001 1 30 LYS H 1 44 GLY QA . . 4.750 3.478 3.060 3.863 . 0 0 "[ . 1 . 2]" 1
1002 1 30 LYS HA 1 30 LYS QD . . 4.950 3.654 2.186 4.229 . 0 0 "[ . 1 . 2]" 1
1003 1 30 LYS HA 1 30 LYS QG . . 3.450 2.458 2.201 3.109 . 0 0 "[ . 1 . 2]" 1
1004 1 30 LYS HA 1 31 VAL H . . 2.700 2.361 2.212 2.521 . 0 0 "[ . 1 . 2]" 1
1005 1 30 LYS HA 1 43 GLU H . . 5.040 4.949 4.824 5.090 0.050 7 0 "[ . 1 . 2]" 1
1006 1 30 LYS QB 1 31 VAL H . . 4.080 3.284 2.580 3.574 . 0 0 "[ . 1 . 2]" 1
1007 1 30 LYS QB 1 43 GLU H . . 4.150 3.706 3.284 4.141 . 0 0 "[ . 1 . 2]" 1
1008 1 30 LYS QB 1 43 GLU QB . . 4.060 2.233 2.007 2.765 . 0 0 "[ . 1 . 2]" 1
1009 1 30 LYS QB 1 43 GLU QG . . 4.350 3.631 2.998 4.296 . 0 0 "[ . 1 . 2]" 1
1010 1 30 LYS QD 1 30 LYS QG . . 2.410 2.063 1.993 2.130 . 0 0 "[ . 1 . 2]" 1
1011 1 30 LYS QD 1 31 VAL H . . 5.500 3.642 1.966 5.231 . 0 0 "[ . 1 . 2]" 1
1012 1 30 LYS QE 1 30 LYS QG . . 3.320 2.389 2.014 2.949 . 0 0 "[ . 1 . 2]" 1
1013 1 30 LYS QE 1 31 VAL H . . 5.500 4.320 3.344 5.112 . 0 0 "[ . 1 . 2]" 1
1014 1 30 LYS QG 1 31 VAL H . . 4.070 2.336 1.852 3.430 . 0 0 "[ . 1 . 2]" 1
1015 1 30 LYS QG 1 31 VAL HA . . 5.340 4.327 3.782 5.436 0.096 16 0 "[ . 1 . 2]" 1
1016 1 30 LYS QG 1 43 GLU QB . . 5.180 3.873 3.212 4.732 . 0 0 "[ . 1 . 2]" 1
1017 1 31 VAL H 1 31 VAL HB . . 3.790 3.340 2.768 3.852 0.062 16 0 "[ . 1 . 2]" 1
1018 1 31 VAL H 1 31 VAL MG1 . . 3.950 3.575 3.004 4.015 0.065 14 0 "[ . 1 . 2]" 1
1019 1 31 VAL H 1 31 VAL MG2 . . 3.950 2.607 2.078 2.996 . 0 0 "[ . 1 . 2]" 1
1020 1 31 VAL H 1 32 GLU HA . . 5.400 4.674 4.447 4.927 . 0 0 "[ . 1 . 2]" 1
1021 1 31 VAL HA 1 31 VAL MG1 . . 3.550 2.422 2.304 2.580 . 0 0 "[ . 1 . 2]" 1
1022 1 31 VAL HA 1 31 VAL QG . . 3.000 2.290 2.201 2.443 . 0 0 "[ . 1 . 2]" 1
1023 1 31 VAL HA 1 31 VAL MG2 . . 3.550 2.940 2.536 3.299 . 0 0 "[ . 1 . 2]" 1
1024 1 31 VAL HA 1 32 GLU H . . 2.400 2.363 2.267 2.466 0.066 2 0 "[ . 1 . 2]" 1
1025 1 31 VAL HA 1 41 LEU QB . . 4.930 4.421 3.860 4.974 0.044 19 0 "[ . 1 . 2]" 1
1026 1 31 VAL HA 1 42 VAL HA . . 3.530 2.349 2.178 2.573 . 0 0 "[ . 1 . 2]" 1
1027 1 31 VAL HA 1 42 VAL HB . . 5.440 5.257 5.045 5.491 0.051 5 0 "[ . 1 . 2]" 1
1028 1 31 VAL HA 1 42 VAL QG . . 4.240 3.165 2.761 3.652 . 0 0 "[ . 1 . 2]" 1
1029 1 31 VAL HA 1 43 GLU H . . 3.980 3.304 2.841 3.684 . 0 0 "[ . 1 . 2]" 1
1030 1 31 VAL HB 1 32 GLU H . . 4.170 3.187 2.169 3.926 . 0 0 "[ . 1 . 2]" 1
1031 1 31 VAL HB 1 41 LEU H . . 5.500 5.193 4.124 5.577 0.077 14 0 "[ . 1 . 2]" 1
1032 1 31 VAL QG 1 32 GLU H . . 3.350 2.804 2.105 3.414 0.064 19 0 "[ . 1 . 2]" 1
1033 1 31 VAL QG 1 32 GLU HA . . 4.890 3.802 3.440 4.172 . 0 0 "[ . 1 . 2]" 1
1034 1 31 VAL QG 1 33 VAL H . . 4.680 4.028 3.157 4.768 0.088 11 0 "[ . 1 . 2]" 1
1035 1 31 VAL QG 1 33 VAL QG . . 3.220 2.511 1.933 3.262 0.042 19 0 "[ . 1 . 2]" 1
1036 1 31 VAL QG 1 42 VAL HA . . 4.240 2.739 2.162 3.430 . 0 0 "[ . 1 . 2]" 1
1037 1 31 VAL QG 1 43 GLU H . . 4.600 3.671 3.147 4.184 . 0 0 "[ . 1 . 2]" 1
1038 1 31 VAL MG1 1 32 GLU H . . 4.390 3.056 2.112 4.005 . 0 0 "[ . 1 . 2]" 1
1039 1 31 VAL MG2 1 32 GLU H . . 4.390 3.896 3.324 4.286 . 0 0 "[ . 1 . 2]" 1
1040 1 32 GLU H 1 32 GLU HB2 . . 3.480 2.895 2.342 3.261 . 0 0 "[ . 1 . 2]" 1
1041 1 32 GLU H 1 32 GLU HB3 . . 3.480 3.111 2.739 3.556 0.076 13 0 "[ . 1 . 2]" 1
1042 1 32 GLU H 1 32 GLU QG . . 4.480 4.065 3.080 4.400 . 0 0 "[ . 1 . 2]" 1
1043 1 32 GLU H 1 33 VAL QG . . 4.080 3.448 3.014 3.766 . 0 0 "[ . 1 . 2]" 1
1044 1 32 GLU H 1 40 ALA HA . . 4.790 4.255 4.002 4.431 . 0 0 "[ . 1 . 2]" 1
1045 1 32 GLU H 1 40 ALA MB . . 4.610 4.354 3.850 4.659 0.049 1 0 "[ . 1 . 2]" 1
1046 1 32 GLU H 1 41 LEU H . . 3.320 2.722 2.320 3.374 0.054 1 0 "[ . 1 . 2]" 1
1047 1 32 GLU H 1 41 LEU QB . . 3.770 3.260 2.755 3.817 0.047 19 0 "[ . 1 . 2]" 1
1048 1 32 GLU H 1 42 VAL QG . . 4.830 4.035 3.655 4.404 . 0 0 "[ . 1 . 2]" 1
1049 1 32 GLU HA 1 33 VAL H . . 2.700 2.275 2.176 2.463 . 0 0 "[ . 1 . 2]" 1
1050 1 32 GLU QB 1 33 VAL H . . 4.130 3.862 3.268 4.121 . 0 0 "[ . 1 . 2]" 1
1051 1 32 GLU QB 1 41 LEU H . . 4.180 3.264 2.881 3.697 . 0 0 "[ . 1 . 2]" 1
1052 1 32 GLU QB 1 41 LEU QB . . 3.610 2.303 1.975 2.851 . 0 0 "[ . 1 . 2]" 1
1053 1 32 GLU QB 1 41 LEU QD . . 4.580 3.146 2.339 4.096 . 0 0 "[ . 1 . 2]" 1
1054 1 32 GLU HB2 1 33 VAL H . . 4.820 4.584 4.330 4.766 . 0 0 "[ . 1 . 2]" 1
1055 1 32 GLU HB2 1 41 LEU H . . 5.030 4.275 3.060 5.011 . 0 0 "[ . 1 . 2]" 1
1056 1 32 GLU HB2 1 41 LEU QB . . 4.150 3.132 2.048 3.920 . 0 0 "[ . 1 . 2]" 1
1057 1 32 GLU HB3 1 33 VAL H . . 4.820 4.178 3.376 4.512 . 0 0 "[ . 1 . 2]" 1
1058 1 32 GLU HB3 1 41 LEU H . . 5.030 3.520 2.927 4.302 . 0 0 "[ . 1 . 2]" 1
1059 1 32 GLU HB3 1 41 LEU QB . . 4.150 2.615 2.000 3.711 . 0 0 "[ . 1 . 2]" 1
1060 1 32 GLU QG 1 33 VAL H . . 5.260 3.802 2.409 4.830 . 0 0 "[ . 1 . 2]" 1
1061 1 32 GLU QG 1 33 VAL QG . . 5.210 4.912 4.422 5.310 0.100 17 0 "[ . 1 . 2]" 1
1062 1 32 GLU QG 1 41 LEU QB . . 5.310 3.944 3.451 4.543 . 0 0 "[ . 1 . 2]" 1
1063 1 33 VAL H 1 33 VAL HB . . 3.270 2.718 2.521 3.129 . 0 0 "[ . 1 . 2]" 1
1064 1 33 VAL H 1 33 VAL QG . . 3.280 2.532 2.190 3.035 . 0 0 "[ . 1 . 2]" 1
1065 1 33 VAL H 1 34 SER H . . 5.060 4.452 4.145 4.667 . 0 0 "[ . 1 . 2]" 1
1066 1 33 VAL HA 1 33 VAL QG . . 3.130 2.160 2.048 2.210 . 0 0 "[ . 1 . 2]" 1
1067 1 33 VAL HA 1 34 SER H . . 2.680 2.272 2.081 2.404 . 0 0 "[ . 1 . 2]" 1
1068 1 33 VAL HA 1 34 SER HB2 . . 5.500 4.326 3.954 4.512 . 0 0 "[ . 1 . 2]" 1
1069 1 33 VAL HA 1 34 SER HB3 . . 5.500 4.909 4.334 5.565 0.065 13 0 "[ . 1 . 2]" 1
1070 1 33 VAL HA 1 39 GLU H . . 5.060 4.791 4.423 5.115 0.055 17 0 "[ . 1 . 2]" 1
1071 1 33 VAL HA 1 40 ALA H . . 4.780 4.690 4.490 4.833 0.053 13 0 "[ . 1 . 2]" 1
1072 1 33 VAL HA 1 40 ALA HA . . 3.180 2.148 1.955 2.280 . 0 0 "[ . 1 . 2]" 1
1073 1 33 VAL HA 1 40 ALA MB . . 4.000 3.208 2.635 3.513 . 0 0 "[ . 1 . 2]" 1
1074 1 33 VAL HA 1 41 LEU H . . 3.910 3.538 3.225 3.811 . 0 0 "[ . 1 . 2]" 1
1075 1 33 VAL HB 1 34 SER H . . 4.690 3.951 3.571 4.237 . 0 0 "[ . 1 . 2]" 1
1076 1 33 VAL HB 1 40 ALA HA . . 5.500 4.747 4.471 5.129 . 0 0 "[ . 1 . 2]" 1
1077 1 33 VAL QG 1 34 SER H . . 3.000 2.436 2.083 2.855 . 0 0 "[ . 1 . 2]" 1
1078 1 33 VAL QG 1 34 SER HA . . 5.320 3.901 3.739 4.237 . 0 0 "[ . 1 . 2]" 1
1079 1 33 VAL QG 1 34 SER HB2 . . 5.500 4.593 4.297 4.804 . 0 0 "[ . 1 . 2]" 1
1080 1 33 VAL QG 1 34 SER QB . . 4.730 4.108 3.892 4.386 . 0 0 "[ . 1 . 2]" 1
1081 1 33 VAL QG 1 34 SER HB3 . . 5.500 4.715 4.172 5.284 . 0 0 "[ . 1 . 2]" 1
1082 1 33 VAL QG 1 35 LEU H . . 5.050 4.545 4.156 5.127 0.077 1 0 "[ . 1 . 2]" 1
1083 1 33 VAL QG 1 35 LEU HA . . 5.500 4.319 4.010 4.710 . 0 0 "[ . 1 . 2]" 1
1084 1 33 VAL QG 1 38 GLY H . . 5.500 5.071 4.583 5.578 0.078 6 0 "[ . 1 . 2]" 1
1085 1 33 VAL QG 1 39 GLU H . . 4.820 4.122 3.586 4.588 . 0 0 "[ . 1 . 2]" 1
1086 1 33 VAL QG 1 40 ALA H . . 5.370 4.183 3.689 4.556 . 0 0 "[ . 1 . 2]" 1
1087 1 33 VAL QG 1 40 ALA HA . . 3.560 2.545 2.140 3.167 . 0 0 "[ . 1 . 2]" 1
1088 1 33 VAL QG 1 40 ALA MB . . 2.710 1.985 1.892 2.152 . 0 0 "[ . 1 . 2]" 1
1089 1 33 VAL QG 1 41 LEU H . . 4.010 3.486 2.954 4.035 0.025 5 0 "[ . 1 . 2]" 1
1090 1 34 SER H 1 34 SER HB2 . . 3.660 2.843 2.303 3.270 . 0 0 "[ . 1 . 2]" 1
1091 1 34 SER H 1 34 SER QB . . 2.920 2.489 2.222 2.792 . 0 0 "[ . 1 . 2]" 1
1092 1 34 SER H 1 34 SER HB3 . . 3.660 3.028 2.409 3.732 0.072 6 0 "[ . 1 . 2]" 1
1093 1 34 SER H 1 35 LEU H . . 5.220 4.318 4.168 4.563 . 0 0 "[ . 1 . 2]" 1
1094 1 34 SER H 1 37 LYS HB2 . . 5.020 4.345 3.867 4.788 . 0 0 "[ . 1 . 2]" 1
1095 1 34 SER H 1 38 GLY H . . 5.140 4.442 4.075 5.172 0.032 13 0 "[ . 1 . 2]" 1
1096 1 34 SER H 1 39 GLU H . . 3.620 3.188 2.822 3.578 . 0 0 "[ . 1 . 2]" 1
1097 1 34 SER H 1 39 GLU QB . . 5.280 4.390 3.795 5.109 . 0 0 "[ . 1 . 2]" 1
1098 1 34 SER H 1 40 ALA HA . . 3.900 3.700 3.195 3.944 0.044 20 0 "[ . 1 . 2]" 1
1099 1 34 SER H 1 40 ALA MB . . 5.500 4.276 3.573 4.610 . 0 0 "[ . 1 . 2]" 1
1100 1 34 SER HA 1 35 LEU H . . 3.170 2.219 2.082 2.582 . 0 0 "[ . 1 . 2]" 1
1101 1 34 SER HA 1 35 LEU HB2 . . 5.090 4.511 4.366 4.808 . 0 0 "[ . 1 . 2]" 1
1102 1 34 SER HA 1 37 LYS HB2 . . 5.500 4.943 4.727 5.171 . 0 0 "[ . 1 . 2]" 1
1103 1 34 SER HA 1 39 GLU H . . 5.210 5.230 5.013 5.280 0.070 1 0 "[ . 1 . 2]" 1
1104 1 34 SER QB 1 35 LEU H . . 3.860 3.470 2.322 3.823 . 0 0 "[ . 1 . 2]" 1
1105 1 34 SER QB 1 37 LYS H . . 3.620 2.725 2.064 3.081 . 0 0 "[ . 1 . 2]" 1
1106 1 34 SER QB 1 37 LYS HB2 . . 3.470 2.134 2.026 2.268 . 0 0 "[ . 1 . 2]" 1
1107 1 34 SER QB 1 37 LYS HB3 . . 4.720 3.657 3.422 3.822 . 0 0 "[ . 1 . 2]" 1
1108 1 34 SER QB 1 37 LYS QD . . 4.130 3.140 2.287 4.141 0.011 16 0 "[ . 1 . 2]" 1
1109 1 34 SER QB 1 37 LYS QE . . 4.560 3.694 1.997 4.458 . 0 0 "[ . 1 . 2]" 1
1110 1 34 SER QB 1 38 GLY H . . 4.370 3.376 2.878 3.948 . 0 0 "[ . 1 . 2]" 1
1111 1 34 SER QB 1 39 GLU H . . 3.300 2.965 2.273 3.375 0.075 4 0 "[ . 1 . 2]" 1
1112 1 34 SER QB 1 39 GLU QB . . 5.010 3.719 2.974 5.109 0.099 4 0 "[ . 1 . 2]" 1
1113 1 34 SER HB2 1 37 LYS H . . 4.150 3.851 3.163 4.215 0.065 4 0 "[ . 1 . 2]" 1
1114 1 34 SER HB2 1 37 LYS HB2 . . 4.080 3.010 2.071 3.745 . 0 0 "[ . 1 . 2]" 1
1115 1 34 SER HB2 1 37 LYS HB3 . . 5.500 4.593 3.564 5.402 . 0 0 "[ . 1 . 2]" 1
1116 1 34 SER HB2 1 37 LYS QD . . 4.810 3.645 2.525 4.890 0.080 16 0 "[ . 1 . 2]" 1
1117 1 34 SER HB3 1 37 LYS H . . 4.150 2.804 2.076 3.170 . 0 0 "[ . 1 . 2]" 1
1118 1 34 SER HB3 1 37 LYS HB2 . . 4.080 2.389 2.056 3.139 . 0 0 "[ . 1 . 2]" 1
1119 1 34 SER HB3 1 37 LYS HB3 . . 5.500 4.023 3.651 4.592 . 0 0 "[ . 1 . 2]" 1
1120 1 34 SER HB3 1 37 LYS QD . . 4.810 3.506 2.571 4.471 . 0 0 "[ . 1 . 2]" 1
1121 1 35 LEU H 1 35 LEU HB2 . . 3.530 2.631 2.394 3.177 . 0 0 "[ . 1 . 2]" 1
1122 1 35 LEU H 1 35 LEU HB3 . . 3.420 2.491 2.321 2.637 . 0 0 "[ . 1 . 2]" 1
1123 1 35 LEU H 1 35 LEU MD1 . . 5.250 4.207 4.006 4.441 . 0 0 "[ . 1 . 2]" 1
1124 1 35 LEU H 1 35 LEU MD2 . . 5.250 4.273 4.167 4.536 . 0 0 "[ . 1 . 2]" 1
1125 1 35 LEU H 1 36 GLU H . . 3.610 2.551 1.634 2.992 . 0 0 "[ . 1 . 2]" 1
1126 1 35 LEU HA 1 35 LEU QD . . 3.040 2.149 2.083 2.285 . 0 0 "[ . 1 . 2]" 1
1127 1 35 LEU HB2 1 35 LEU MD1 . . 3.480 2.479 2.339 2.685 . 0 0 "[ . 1 . 2]" 1
1128 1 35 LEU HB2 1 35 LEU MD2 . . 3.480 2.342 2.241 2.452 . 0 0 "[ . 1 . 2]" 1
1129 1 35 LEU HB2 1 36 GLU H . . 4.170 3.816 3.495 4.226 0.056 2 0 "[ . 1 . 2]" 1
1130 1 35 LEU HB3 1 36 GLU H . . 3.180 2.504 1.993 3.228 0.048 2 0 "[ . 1 . 2]" 1
1131 1 35 LEU QD 1 36 GLU H . . 4.180 3.829 3.395 4.246 0.066 2 0 "[ . 1 . 2]" 1
1132 1 35 LEU QD 1 36 GLU HA . . 5.320 4.216 3.883 4.521 . 0 0 "[ . 1 . 2]" 1
1133 1 35 LEU HG 1 36 GLU H . . 4.470 3.678 3.138 4.353 . 0 0 "[ . 1 . 2]" 1
1134 1 35 LEU HG 1 36 GLU HA . . 5.130 3.737 3.218 4.338 . 0 0 "[ . 1 . 2]" 1
1135 1 35 LEU HG 1 36 GLU QB . . 5.150 4.335 3.772 5.035 . 0 0 "[ . 1 . 2]" 1
1136 1 36 GLU H 1 36 GLU HB2 . . 3.800 3.352 2.301 3.756 . 0 0 "[ . 1 . 2]" 1
1137 1 36 GLU H 1 36 GLU QB . . 2.990 2.428 2.082 3.040 0.050 2 0 "[ . 1 . 2]" 1
1138 1 36 GLU H 1 36 GLU HB3 . . 3.800 2.517 2.134 3.211 . 0 0 "[ . 1 . 2]" 1
1139 1 36 GLU H 1 36 GLU QG . . 3.930 2.606 1.937 3.966 0.036 5 0 "[ . 1 . 2]" 1
1140 1 36 GLU H 1 37 LYS H . . 3.310 2.702 1.962 3.062 . 0 0 "[ . 1 . 2]" 1
1141 1 36 GLU H 1 38 GLY H . . 4.640 4.054 3.567 4.670 0.030 18 0 "[ . 1 . 2]" 1
1142 1 36 GLU HA 1 36 GLU QG . . 3.400 3.230 2.475 3.413 0.013 11 0 "[ . 1 . 2]" 1
1143 1 36 GLU HA 1 38 GLY H . . 5.270 4.372 3.923 5.042 . 0 0 "[ . 1 . 2]" 1
1144 1 36 GLU QB 1 37 LYS H . . 3.470 3.218 2.101 3.558 0.088 1 0 "[ . 1 . 2]" 1
1145 1 36 GLU QB 1 37 LYS QG . . 4.670 3.935 2.812 4.703 0.033 3 0 "[ . 1 . 2]" 1
1146 1 36 GLU HB2 1 37 LYS H . . 3.990 3.832 3.387 4.037 0.047 19 0 "[ . 1 . 2]" 1
1147 1 36 GLU HB3 1 37 LYS H . . 3.990 3.629 2.115 4.055 0.065 2 0 "[ . 1 . 2]" 1
1148 1 36 GLU QG 1 37 LYS H . . 4.440 2.406 1.872 3.370 . 0 0 "[ . 1 . 2]" 1
1149 1 36 GLU QG 1 37 LYS HA . . 5.480 3.614 3.252 4.057 . 0 0 "[ . 1 . 2]" 1
1150 1 36 GLU QG 1 37 LYS HB2 . . 4.520 4.072 3.541 4.602 0.082 16 0 "[ . 1 . 2]" 1
1151 1 36 GLU QG 1 37 LYS QG . . 5.320 2.481 2.027 3.953 . 0 0 "[ . 1 . 2]" 1
1152 1 37 LYS H 1 37 LYS HB2 . . 2.950 2.511 2.211 2.682 . 0 0 "[ . 1 . 2]" 1
1153 1 37 LYS H 1 37 LYS HB3 . . 3.630 3.644 3.533 3.685 0.055 6 0 "[ . 1 . 2]" 1
1154 1 37 LYS H 1 37 LYS QD . . 4.500 3.589 2.069 4.574 0.074 14 0 "[ . 1 . 2]" 1
1155 1 37 LYS H 1 37 LYS QE . . 5.230 4.487 3.447 5.303 0.073 6 0 "[ . 1 . 2]" 1
1156 1 37 LYS H 1 37 LYS QG . . 3.820 2.535 2.086 3.444 . 0 0 "[ . 1 . 2]" 1
1157 1 37 LYS H 1 38 GLY QA . . 5.040 4.476 4.225 4.730 . 0 0 "[ . 1 . 2]" 1
1158 1 37 LYS H 1 39 GLU H . . 5.090 4.214 3.873 4.482 . 0 0 "[ . 1 . 2]" 1
1159 1 37 LYS HA 1 37 LYS QD . . 4.180 3.724 2.233 4.247 0.067 19 0 "[ . 1 . 2]" 1
1160 1 37 LYS HA 1 37 LYS QG . . 3.570 2.516 2.229 3.209 . 0 0 "[ . 1 . 2]" 1
1161 1 37 LYS HA 1 38 GLY QA . . 4.990 4.353 4.299 4.406 . 0 0 "[ . 1 . 2]" 1
1162 1 37 LYS HB2 1 37 LYS QD . . 3.620 2.700 2.203 3.512 . 0 0 "[ . 1 . 2]" 1
1163 1 37 LYS HB2 1 38 GLY H . . 3.700 3.146 2.162 3.397 . 0 0 "[ . 1 . 2]" 1
1164 1 37 LYS HB2 1 39 GLU H . . 3.890 2.922 2.474 3.673 . 0 0 "[ . 1 . 2]" 1
1165 1 37 LYS HB3 1 37 LYS QD . . 3.750 2.836 2.307 3.532 . 0 0 "[ . 1 . 2]" 1
1166 1 37 LYS HB3 1 37 LYS QE . . 4.740 3.164 2.027 4.390 . 0 0 "[ . 1 . 2]" 1
1167 1 37 LYS HB3 1 38 GLY H . . 4.500 4.018 3.413 4.251 . 0 0 "[ . 1 . 2]" 1
1168 1 37 LYS QG 1 38 GLY H . . 5.080 4.375 3.688 4.859 . 0 0 "[ . 1 . 2]" 1
1169 1 38 GLY H 1 38 GLY QA . . 2.520 2.201 2.180 2.277 . 0 0 "[ . 1 . 2]" 1
1170 1 38 GLY H 1 39 GLU H . . 2.920 2.613 2.122 2.916 . 0 0 "[ . 1 . 2]" 1
1171 1 38 GLY H 1 39 GLU QB . . 5.030 4.609 4.252 5.085 0.055 10 0 "[ . 1 . 2]" 1
1172 1 38 GLY QA 1 39 GLU H . . 3.090 2.820 2.603 2.938 . 0 0 "[ . 1 . 2]" 1
1173 1 39 GLU H 1 39 GLU QB . . 3.270 2.640 2.099 3.297 0.027 10 0 "[ . 1 . 2]" 1
1174 1 39 GLU H 1 39 GLU HG2 . . 4.640 4.087 2.663 4.701 0.061 18 0 "[ . 1 . 2]" 1
1175 1 39 GLU H 1 39 GLU QG . . 3.930 3.277 2.539 3.920 . 0 0 "[ . 1 . 2]" 1
1176 1 39 GLU H 1 39 GLU HG3 . . 4.640 3.600 2.563 4.424 . 0 0 "[ . 1 . 2]" 1
1177 1 39 GLU H 1 40 ALA H . . 4.690 4.383 4.189 4.563 . 0 0 "[ . 1 . 2]" 1
1178 1 39 GLU H 1 40 ALA HA . . 5.230 4.944 4.790 5.261 0.031 8 0 "[ . 1 . 2]" 1
1179 1 39 GLU H 1 41 LEU QD . . 5.440 5.122 4.783 5.540 0.100 13 0 "[ . 1 . 2]" 1
1180 1 39 GLU HA 1 39 GLU HG2 . . 4.190 2.810 2.258 4.197 0.007 10 0 "[ . 1 . 2]" 1
1181 1 39 GLU HA 1 39 GLU QG . . 3.620 2.517 2.201 3.425 . 0 0 "[ . 1 . 2]" 1
1182 1 39 GLU HA 1 39 GLU HG3 . . 4.190 3.082 2.286 3.793 . 0 0 "[ . 1 . 2]" 1
1183 1 39 GLU HA 1 40 ALA H . . 2.510 2.265 2.072 2.489 . 0 0 "[ . 1 . 2]" 1
1184 1 39 GLU HA 1 40 ALA MB . . 4.890 3.808 3.683 3.944 . 0 0 "[ . 1 . 2]" 1
1185 1 39 GLU HA 1 41 LEU QD . . 5.260 4.541 4.104 4.901 . 0 0 "[ . 1 . 2]" 1
1186 1 39 GLU QB 1 39 GLU QG . . 2.330 2.084 1.976 2.128 . 0 0 "[ . 1 . 2]" 1
1187 1 39 GLU QB 1 40 ALA H . . 3.410 2.572 2.145 3.213 . 0 0 "[ . 1 . 2]" 1
1188 1 39 GLU QB 1 40 ALA HA . . 5.340 4.113 3.877 4.611 . 0 0 "[ . 1 . 2]" 1
1189 1 39 GLU QB 1 41 LEU H . . 5.340 4.924 3.594 5.425 0.085 4 0 "[ . 1 . 2]" 1
1190 1 39 GLU QG 1 40 ALA H . . 4.170 3.625 3.003 4.256 0.086 7 0 "[ . 1 . 2]" 1
1191 1 39 GLU QG 1 41 LEU QD . . 4.480 3.864 2.353 4.550 0.070 9 0 "[ . 1 . 2]" 1
1192 1 39 GLU HG2 1 40 ALA H . . 5.000 3.974 3.392 4.695 . 0 0 "[ . 1 . 2]" 1
1193 1 39 GLU HG3 1 40 ALA H . . 5.000 4.480 3.064 5.057 0.057 19 0 "[ . 1 . 2]" 1
1194 1 40 ALA H 1 40 ALA MB . . 2.860 2.526 2.415 2.636 . 0 0 "[ . 1 . 2]" 1
1195 1 40 ALA H 1 41 LEU H . . 4.510 4.184 3.354 4.456 . 0 0 "[ . 1 . 2]" 1
1196 1 40 ALA H 1 41 LEU QD . . 4.720 3.399 3.131 3.667 . 0 0 "[ . 1 . 2]" 1
1197 1 40 ALA HA 1 41 LEU H . . 2.610 2.244 2.150 2.394 . 0 0 "[ . 1 . 2]" 1
1198 1 40 ALA HA 1 41 LEU QB . . 4.740 4.365 4.102 4.657 . 0 0 "[ . 1 . 2]" 1
1199 1 40 ALA HA 1 41 LEU QD . . 4.600 3.402 2.970 4.047 . 0 0 "[ . 1 . 2]" 1
1200 1 40 ALA HA 1 42 VAL QG . . 5.440 5.087 4.753 5.505 0.065 13 0 "[ . 1 . 2]" 1
1201 1 40 ALA MB 1 41 LEU H . . 3.480 3.139 2.680 3.584 0.104 1 0 "[ . 1 . 2]" 1
1202 1 40 ALA MB 1 41 LEU HA . . 5.210 4.244 4.049 4.492 . 0 0 "[ . 1 . 2]" 1
1203 1 40 ALA MB 1 42 VAL H . . 5.500 5.395 4.423 5.583 0.083 13 0 "[ . 1 . 2]" 1
1204 1 41 LEU H 1 41 LEU QB . . 3.210 2.523 2.240 2.808 . 0 0 "[ . 1 . 2]" 1
1205 1 41 LEU H 1 41 LEU QD . . 4.010 2.794 2.086 3.550 . 0 0 "[ . 1 . 2]" 1
1206 1 41 LEU H 1 41 LEU HG . . 4.320 3.912 2.602 4.395 0.075 18 0 "[ . 1 . 2]" 1
1207 1 41 LEU H 1 42 VAL QG . . 5.120 4.142 3.897 4.620 . 0 0 "[ . 1 . 2]" 1
1208 1 41 LEU HA 1 41 LEU MD1 . . 3.990 2.860 2.076 3.996 0.006 13 0 "[ . 1 . 2]" 1
1209 1 41 LEU HA 1 41 LEU QD . . 3.170 2.463 1.977 3.075 . 0 0 "[ . 1 . 2]" 1
1210 1 41 LEU HA 1 41 LEU MD2 . . 3.990 2.924 2.187 3.646 . 0 0 "[ . 1 . 2]" 1
1211 1 41 LEU HA 1 42 VAL H . . 2.570 2.304 2.167 2.398 . 0 0 "[ . 1 . 2]" 1
1212 1 41 LEU HA 1 42 VAL HB . . 5.040 4.472 4.204 4.872 . 0 0 "[ . 1 . 2]" 1
1213 1 41 LEU HA 1 42 VAL QG . . 4.550 3.447 3.116 3.764 . 0 0 "[ . 1 . 2]" 1
1214 1 41 LEU QB 1 42 VAL H . . 3.810 2.830 2.480 3.671 . 0 0 "[ . 1 . 2]" 1
1215 1 41 LEU QB 1 42 VAL QG . . 5.370 4.214 4.019 4.575 . 0 0 "[ . 1 . 2]" 1
1216 1 42 VAL H 1 42 VAL HB . . 3.090 2.602 2.390 2.877 . 0 0 "[ . 1 . 2]" 1
1217 1 42 VAL H 1 42 VAL MG1 . . 4.120 3.827 3.714 3.929 . 0 0 "[ . 1 . 2]" 1
1218 1 42 VAL H 1 42 VAL QG . . 3.160 2.746 2.168 3.049 . 0 0 "[ . 1 . 2]" 1
1219 1 42 VAL H 1 42 VAL MG2 . . 4.120 2.828 2.181 3.223 . 0 0 "[ . 1 . 2]" 1
1220 1 42 VAL H 1 51 LEU MD1 . . 5.270 4.674 4.124 5.177 . 0 0 "[ . 1 . 2]" 1
1221 1 42 VAL H 1 51 LEU MD2 . . 5.500 5.552 5.348 5.593 0.093 13 0 "[ . 1 . 2]" 1
1222 1 42 VAL HA 1 42 VAL MG1 . . 3.250 2.457 2.209 2.658 . 0 0 "[ . 1 . 2]" 1
1223 1 42 VAL HA 1 42 VAL QG . . 2.840 2.147 2.070 2.207 . 0 0 "[ . 1 . 2]" 1
1224 1 42 VAL HA 1 42 VAL MG2 . . 3.250 2.413 2.170 2.795 . 0 0 "[ . 1 . 2]" 1
1225 1 42 VAL HA 1 43 GLU H . . 2.490 2.177 2.044 2.322 . 0 0 "[ . 1 . 2]" 1
1226 1 42 VAL HB 1 51 LEU MD1 . . 3.720 2.830 2.297 3.295 . 0 0 "[ . 1 . 2]" 1
1227 1 42 VAL HB 1 51 LEU MD2 . . 4.280 3.766 3.238 3.997 . 0 0 "[ . 1 . 2]" 1
1228 1 42 VAL QG 1 43 GLU H . . 2.990 2.597 2.169 2.959 . 0 0 "[ . 1 . 2]" 1
1229 1 42 VAL QG 1 44 GLY H . . 5.430 2.093 1.777 3.365 . 0 0 "[ . 1 . 2]" 1
1230 1 42 VAL QG 1 44 GLY QA . . 4.470 3.023 2.674 3.566 . 0 0 "[ . 1 . 2]" 1
1231 1 42 VAL QG 1 46 ALA H . . 4.640 3.548 2.981 4.071 . 0 0 "[ . 1 . 2]" 1
1232 1 43 GLU H 1 43 GLU HB2 . . 3.410 2.446 2.107 2.962 . 0 0 "[ . 1 . 2]" 1
1233 1 43 GLU H 1 43 GLU QB . . 2.930 2.262 2.071 2.529 . 0 0 "[ . 1 . 2]" 1
1234 1 43 GLU H 1 43 GLU HB3 . . 3.410 2.887 2.403 3.470 0.060 3 0 "[ . 1 . 2]" 1
1235 1 43 GLU H 1 43 GLU QG . . 4.250 3.838 2.936 4.235 . 0 0 "[ . 1 . 2]" 1
1236 1 43 GLU H 1 44 GLY QA . . 4.820 4.122 3.902 4.333 . 0 0 "[ . 1 . 2]" 1
1237 1 43 GLU HA 1 43 GLU QG . . 3.750 2.284 2.072 2.447 . 0 0 "[ . 1 . 2]" 1
1238 1 43 GLU QB 1 44 GLY QA . . 5.180 3.945 3.782 4.294 . 0 0 "[ . 1 . 2]" 1
1239 1 44 GLY QA 1 45 THR H . . 2.740 2.302 2.193 2.359 . 0 0 "[ . 1 . 2]" 1
1240 1 44 GLY QA 1 45 THR HA . . 4.360 4.010 3.953 4.048 . 0 0 "[ . 1 . 2]" 1
1241 1 44 GLY QA 1 46 ALA H . . 4.370 3.059 2.958 3.249 . 0 0 "[ . 1 . 2]" 1
1242 1 44 GLY QA 1 46 ALA MB . . 5.020 3.859 3.683 4.280 . 0 0 "[ . 1 . 2]" 1
1243 1 44 GLY HA2 1 45 THR H . . 3.200 2.688 2.563 2.936 . 0 0 "[ . 1 . 2]" 1
1244 1 44 GLY HA2 1 45 THR MG . . 4.680 3.780 3.274 4.466 . 0 0 "[ . 1 . 2]" 1
1245 1 44 GLY HA2 1 46 ALA H . . 4.980 4.250 4.088 4.607 . 0 0 "[ . 1 . 2]" 1
1246 1 44 GLY HA3 1 45 THR H . . 3.200 2.519 2.307 2.696 . 0 0 "[ . 1 . 2]" 1
1247 1 44 GLY HA3 1 45 THR MG . . 4.680 4.276 3.974 4.636 . 0 0 "[ . 1 . 2]" 1
1248 1 44 GLY HA3 1 46 ALA H . . 4.980 3.137 3.028 3.321 . 0 0 "[ . 1 . 2]" 1
1249 1 45 THR H 1 45 THR HB . . 3.930 3.172 2.429 3.677 . 0 0 "[ . 1 . 2]" 1
1250 1 45 THR H 1 45 THR MG . . 3.400 2.388 1.827 2.911 . 0 0 "[ . 1 . 2]" 1
1251 1 45 THR H 1 46 ALA H . . 2.970 2.409 2.120 2.631 . 0 0 "[ . 1 . 2]" 1
1252 1 45 THR H 1 46 ALA HA . . 4.520 4.566 4.342 4.603 0.083 13 0 "[ . 1 . 2]" 1
1253 1 45 THR H 1 46 ALA MB . . 5.160 4.019 3.695 4.200 . 0 0 "[ . 1 . 2]" 1
1254 1 45 THR HA 1 45 THR MG . . 3.370 2.757 2.213 3.281 . 0 0 "[ . 1 . 2]" 1
1255 1 45 THR HA 1 46 ALA H . . 3.150 3.202 3.140 3.224 0.074 14 0 "[ . 1 . 2]" 1
1256 1 45 THR MG 1 46 ALA H . . 4.690 3.853 2.870 4.404 . 0 0 "[ . 1 . 2]" 1
1257 1 46 ALA H 1 46 ALA MB . . 2.680 2.205 2.131 2.291 . 0 0 "[ . 1 . 2]" 1
1258 1 46 ALA H 1 47 ASP H . . 4.690 4.687 4.604 4.728 0.038 15 0 "[ . 1 . 2]" 1
1259 1 46 ALA H 1 51 LEU MD1 . . 5.120 4.410 3.897 5.191 0.071 6 0 "[ . 1 . 2]" 1
1260 1 46 ALA H 1 51 LEU MD2 . . 5.500 4.603 4.152 5.014 . 0 0 "[ . 1 . 2]" 1
1261 1 46 ALA HA 1 47 ASP H . . 2.690 2.368 2.243 2.524 . 0 0 "[ . 1 . 2]" 1
1262 1 46 ALA HA 1 47 ASP HA . . 4.520 4.409 4.326 4.558 0.038 10 0 "[ . 1 . 2]" 1
1263 1 46 ALA HA 1 47 ASP QB . . 4.540 4.332 4.135 4.494 . 0 0 "[ . 1 . 2]" 1
1264 1 46 ALA HA 1 50 ALA MB . . 5.180 4.689 4.474 5.008 . 0 0 "[ . 1 . 2]" 1
1265 1 46 ALA HA 1 51 LEU MD2 . . 5.500 4.969 4.326 5.515 0.015 3 0 "[ . 1 . 2]" 1
1266 1 46 ALA MB 1 47 ASP H . . 2.930 2.613 2.329 2.901 . 0 0 "[ . 1 . 2]" 1
1267 1 46 ALA MB 1 47 ASP HA . . 5.110 4.331 4.221 4.411 . 0 0 "[ . 1 . 2]" 1
1268 1 46 ALA MB 1 47 ASP QB . . 4.640 4.169 3.901 4.335 . 0 0 "[ . 1 . 2]" 1
1269 1 46 ALA MB 1 50 ALA H . . 5.260 5.179 5.035 5.329 0.069 13 0 "[ . 1 . 2]" 1
1270 1 46 ALA MB 1 51 LEU HA . . 4.820 4.530 4.248 4.799 . 0 0 "[ . 1 . 2]" 1
1271 1 46 ALA MB 1 51 LEU MD2 . . 3.020 2.359 1.936 2.807 . 0 0 "[ . 1 . 2]" 1
1272 1 46 ALA MB 1 51 LEU HG . . 3.330 2.654 2.158 3.199 . 0 0 "[ . 1 . 2]" 1
1273 1 47 ASP H 1 47 ASP QB . . 2.580 2.215 2.103 2.402 . 0 0 "[ . 1 . 2]" 1
1274 1 47 ASP H 1 48 PRO HA . . 5.500 5.544 5.342 5.572 0.072 17 0 "[ . 1 . 2]" 1
1275 1 47 ASP H 1 48 PRO HD2 . . 5.370 4.892 4.830 5.001 . 0 0 "[ . 1 . 2]" 1
1276 1 47 ASP H 1 48 PRO QD . . 4.640 4.460 4.397 4.507 . 0 0 "[ . 1 . 2]" 1
1277 1 47 ASP H 1 48 PRO HD3 . . 5.370 5.145 4.974 5.223 . 0 0 "[ . 1 . 2]" 1
1278 1 47 ASP H 1 50 ALA H . . 5.030 4.452 4.246 4.573 . 0 0 "[ . 1 . 2]" 1
1279 1 47 ASP H 1 50 ALA MB . . 3.640 3.124 2.685 3.365 . 0 0 "[ . 1 . 2]" 1
1280 1 47 ASP H 1 51 LEU MD2 . . 5.500 4.971 4.216 5.467 . 0 0 "[ . 1 . 2]" 1
1281 1 47 ASP HA 1 48 PRO HD2 . . 2.820 2.315 2.156 2.431 . 0 0 "[ . 1 . 2]" 1
1282 1 47 ASP HA 1 48 PRO HD3 . . 2.820 2.488 2.365 2.554 . 0 0 "[ . 1 . 2]" 1
1283 1 47 ASP HA 1 48 PRO HG2 . . 5.200 4.492 4.358 4.583 . 0 0 "[ . 1 . 2]" 1
1284 1 47 ASP HA 1 48 PRO HG3 . . 5.080 4.600 4.512 4.665 . 0 0 "[ . 1 . 2]" 1
1285 1 47 ASP HA 1 49 LYS H . . 4.480 4.371 4.059 4.541 0.061 11 0 "[ . 1 . 2]" 1
1286 1 47 ASP HA 1 49 LYS QE . . 5.500 5.100 3.977 5.568 0.068 10 0 "[ . 1 . 2]" 1
1287 1 47 ASP HA 1 50 ALA MB . . 5.440 4.705 4.448 4.930 . 0 0 "[ . 1 . 2]" 1
1288 1 47 ASP QB 1 48 PRO HB2 . . 5.480 5.273 5.116 5.344 . 0 0 "[ . 1 . 2]" 1
1289 1 47 ASP QB 1 48 PRO QB . . 4.700 4.773 4.677 4.804 0.104 5 0 "[ . 1 . 2]" 1
1290 1 47 ASP QB 1 48 PRO HB3 . . 5.480 5.454 5.375 5.534 0.054 9 0 "[ . 1 . 2]" 1
1291 1 47 ASP QB 1 48 PRO HD2 . . 4.330 2.677 2.391 2.944 . 0 0 "[ . 1 . 2]" 1
1292 1 47 ASP QB 1 48 PRO QD . . 3.750 2.632 2.364 2.878 . 0 0 "[ . 1 . 2]" 1
1293 1 47 ASP QB 1 48 PRO HD3 . . 4.330 3.895 3.708 4.059 . 0 0 "[ . 1 . 2]" 1
1294 1 47 ASP QB 1 48 PRO HG3 . . 5.500 5.021 4.798 5.163 . 0 0 "[ . 1 . 2]" 1
1295 1 47 ASP QB 1 49 LYS H . . 4.070 2.792 2.431 3.068 . 0 0 "[ . 1 . 2]" 1
1296 1 47 ASP QB 1 50 ALA H . . 3.240 2.655 2.298 2.956 . 0 0 "[ . 1 . 2]" 1
1297 1 47 ASP QB 1 50 ALA HA . . 5.240 4.810 4.327 5.058 . 0 0 "[ . 1 . 2]" 1
1298 1 47 ASP QB 1 50 ALA MB . . 2.820 2.702 2.131 2.917 0.097 4 0 "[ . 1 . 2]" 1
1299 1 47 ASP QB 1 51 LEU H . . 4.710 4.220 3.682 4.618 . 0 0 "[ . 1 . 2]" 1
1300 1 47 ASP QB 1 51 LEU MD1 . . 5.270 4.764 4.431 5.356 0.086 20 0 "[ . 1 . 2]" 1
1301 1 48 PRO HA 1 50 ALA H . . 5.250 4.410 4.052 4.887 . 0 0 "[ . 1 . 2]" 1
1302 1 48 PRO HA 1 50 ALA MB . . 5.500 5.022 4.810 5.363 . 0 0 "[ . 1 . 2]" 1
1303 1 48 PRO HA 1 51 LEU H . . 3.820 3.374 3.113 3.843 0.023 2 0 "[ . 1 . 2]" 1
1304 1 48 PRO HA 1 51 LEU HB2 . . 3.340 2.557 2.203 3.145 . 0 0 "[ . 1 . 2]" 1
1305 1 48 PRO HA 1 51 LEU HB3 . . 4.680 4.120 3.807 4.726 0.046 11 0 "[ . 1 . 2]" 1
1306 1 48 PRO HA 1 51 LEU MD1 . . 2.850 2.160 2.074 2.304 . 0 0 "[ . 1 . 2]" 1
1307 1 48 PRO HA 1 51 LEU HG . . 4.020 3.579 2.540 3.948 . 0 0 "[ . 1 . 2]" 1
1308 1 48 PRO HA 1 64 VAL QG . . 4.540 3.465 2.908 3.949 . 0 0 "[ . 1 . 2]" 1
1309 1 48 PRO QB 1 49 LYS H . . 3.770 3.061 2.770 3.270 . 0 0 "[ . 1 . 2]" 1
1310 1 48 PRO QB 1 51 LEU MD1 . . 4.390 3.518 3.306 3.760 . 0 0 "[ . 1 . 2]" 1
1311 1 48 PRO QB 1 64 VAL QG . . 3.220 1.989 1.818 2.238 . 0 0 "[ . 1 . 2]" 1
1312 1 48 PRO HB2 1 49 LYS H . . 4.530 3.157 2.836 3.420 . 0 0 "[ . 1 . 2]" 1
1313 1 48 PRO HB2 1 64 VAL MG1 . . 5.590 2.694 2.121 3.612 . 0 0 "[ . 1 . 2]" 1
1314 1 48 PRO HB2 1 64 VAL MG2 . . 5.590 2.335 2.112 2.918 . 0 0 "[ . 1 . 2]" 1
1315 1 48 PRO HB3 1 49 LYS H . . 4.530 4.127 3.881 4.317 . 0 0 "[ . 1 . 2]" 1
1316 1 48 PRO HB3 1 64 VAL MG1 . . 5.590 3.220 2.179 4.575 . 0 0 "[ . 1 . 2]" 1
1317 1 48 PRO HB3 1 64 VAL MG2 . . 5.590 2.754 2.070 3.525 . 0 0 "[ . 1 . 2]" 1
1318 1 48 PRO QD 1 49 LYS H . . 3.630 2.954 2.709 3.195 . 0 0 "[ . 1 . 2]" 1
1319 1 48 PRO HD2 1 49 LYS H . . 4.270 3.033 2.767 3.301 . 0 0 "[ . 1 . 2]" 1
1320 1 48 PRO HD3 1 49 LYS H . . 4.270 4.076 3.860 4.267 . 0 0 "[ . 1 . 2]" 1
1321 1 48 PRO HG2 1 49 LYS H . . 3.380 2.450 2.089 2.838 . 0 0 "[ . 1 . 2]" 1
1322 1 48 PRO HG2 1 49 LYS QE . . 5.450 4.225 2.353 5.506 0.056 19 0 "[ . 1 . 2]" 1
1323 1 48 PRO HG2 1 49 LYS QG . . 4.460 3.699 3.015 4.511 0.051 14 0 "[ . 1 . 2]" 1
1324 1 48 PRO HG2 1 50 ALA H . . 5.500 5.133 4.800 5.497 . 0 0 "[ . 1 . 2]" 1
1325 1 48 PRO HG2 1 51 LEU MD1 . . 5.500 5.395 5.178 5.580 0.080 11 0 "[ . 1 . 2]" 1
1326 1 48 PRO HG2 1 64 VAL QG . . 4.930 3.639 3.109 4.118 . 0 0 "[ . 1 . 2]" 1
1327 1 48 PRO HG3 1 49 LYS H . . 4.230 4.017 3.722 4.291 0.061 14 0 "[ . 1 . 2]" 1
1328 1 48 PRO HG3 1 51 LEU MD1 . . 5.500 5.203 4.896 5.561 0.061 11 0 "[ . 1 . 2]" 1
1329 1 48 PRO HG3 1 64 VAL QG . . 5.130 3.366 2.645 4.069 . 0 0 "[ . 1 . 2]" 1
1330 1 49 LYS H 1 49 LYS QB . . 2.850 2.582 2.309 2.823 . 0 0 "[ . 1 . 2]" 1
1331 1 49 LYS H 1 49 LYS QD . . 4.640 3.099 1.682 4.190 . 0 0 "[ . 1 . 2]" 1
1332 1 49 LYS H 1 49 LYS HG2 . . 3.970 2.702 1.855 3.915 . 0 0 "[ . 1 . 2]" 1
1333 1 49 LYS H 1 49 LYS QG . . 3.220 2.314 1.838 2.983 . 0 0 "[ . 1 . 2]" 1
1334 1 49 LYS H 1 49 LYS HG3 . . 3.970 3.165 2.404 3.858 . 0 0 "[ . 1 . 2]" 1
1335 1 49 LYS H 1 50 ALA H . . 2.830 2.801 2.724 2.876 0.046 13 0 "[ . 1 . 2]" 1
1336 1 49 LYS H 1 50 ALA HA . . 5.420 5.399 5.223 5.468 0.048 4 0 "[ . 1 . 2]" 1
1337 1 49 LYS H 1 50 ALA MB . . 4.690 4.447 4.321 4.610 . 0 0 "[ . 1 . 2]" 1
1338 1 49 LYS H 1 51 LEU H . . 4.310 4.080 3.893 4.307 . 0 0 "[ . 1 . 2]" 1
1339 1 49 LYS H 1 52 VAL H . . 5.330 4.978 4.731 5.248 . 0 0 "[ . 1 . 2]" 1
1340 1 49 LYS H 1 52 VAL QG . . 5.130 4.341 4.125 4.672 . 0 0 "[ . 1 . 2]" 1
1341 1 49 LYS H 1 64 VAL QG . . 5.440 4.340 3.680 4.943 . 0 0 "[ . 1 . 2]" 1
1342 1 49 LYS HA 1 49 LYS QD . . 4.800 4.118 3.468 4.599 . 0 0 "[ . 1 . 2]" 1
1343 1 49 LYS HA 1 49 LYS HG2 . . 3.940 3.715 3.549 3.805 . 0 0 "[ . 1 . 2]" 1
1344 1 49 LYS HA 1 49 LYS HG3 . . 3.940 3.435 2.454 3.988 0.048 11 0 "[ . 1 . 2]" 1
1345 1 49 LYS HA 1 51 LEU H . . 4.480 4.273 3.995 4.488 0.008 17 0 "[ . 1 . 2]" 1
1346 1 49 LYS HA 1 52 VAL H . . 4.760 3.766 3.366 4.132 . 0 0 "[ . 1 . 2]" 1
1347 1 49 LYS HA 1 52 VAL QG . . 3.390 2.325 2.040 3.115 . 0 0 "[ . 1 . 2]" 1
1348 1 49 LYS HA 1 53 GLN H . . 4.640 4.099 3.821 4.499 . 0 0 "[ . 1 . 2]" 1
1349 1 49 LYS QB 1 49 LYS QE . . 4.260 3.137 1.947 3.857 . 0 0 "[ . 1 . 2]" 1
1350 1 49 LYS QB 1 50 ALA H . . 3.500 3.155 2.156 3.572 0.072 10 0 "[ . 1 . 2]" 1
1351 1 49 LYS QB 1 50 ALA HA . . 5.030 4.214 3.619 4.572 . 0 0 "[ . 1 . 2]" 1
1352 1 49 LYS QB 1 51 LEU H . . 5.340 4.905 4.438 5.194 . 0 0 "[ . 1 . 2]" 1
1353 1 49 LYS HB2 1 50 ALA H . . 4.100 3.382 2.186 4.013 . 0 0 "[ . 1 . 2]" 1
1354 1 49 LYS HB3 1 50 ALA H . . 4.100 3.961 3.296 4.167 0.067 9 0 "[ . 1 . 2]" 1
1355 1 49 LYS QD 1 49 LYS QG . . 2.360 2.083 2.006 2.136 . 0 0 "[ . 1 . 2]" 1
1356 1 49 LYS QD 1 50 ALA H . . 4.880 3.972 3.167 4.562 . 0 0 "[ . 1 . 2]" 1
1357 1 49 LYS QD 1 50 ALA HA . . 5.500 5.465 5.125 5.593 0.093 3 0 "[ . 1 . 2]" 1
1358 1 49 LYS QG 1 50 ALA H . . 4.750 2.968 2.058 4.361 . 0 0 "[ . 1 . 2]" 1
1359 1 49 LYS HG2 1 50 ALA H . . 5.500 3.473 2.117 5.108 . 0 0 "[ . 1 . 2]" 1
1360 1 49 LYS HG3 1 50 ALA H . . 5.500 3.328 2.104 4.779 . 0 0 "[ . 1 . 2]" 1
1361 1 50 ALA H 1 50 ALA MB . . 2.670 2.222 2.172 2.293 . 0 0 "[ . 1 . 2]" 1
1362 1 50 ALA H 1 51 LEU H . . 2.820 2.552 2.279 2.832 0.012 3 0 "[ . 1 . 2]" 1
1363 1 50 ALA H 1 51 LEU HB2 . . 5.500 4.684 4.312 5.152 . 0 0 "[ . 1 . 2]" 1
1364 1 50 ALA H 1 51 LEU MD1 . . 5.500 4.969 4.607 5.455 . 0 0 "[ . 1 . 2]" 1
1365 1 50 ALA H 1 51 LEU HG . . 5.250 4.497 4.212 4.911 . 0 0 "[ . 1 . 2]" 1
1366 1 50 ALA H 1 52 VAL QG . . 5.290 4.471 4.111 5.178 . 0 0 "[ . 1 . 2]" 1
1367 1 50 ALA HA 1 52 VAL H . . 5.190 4.840 4.616 5.079 . 0 0 "[ . 1 . 2]" 1
1368 1 50 ALA HA 1 52 VAL QG . . 5.380 4.588 4.222 5.428 0.048 15 0 "[ . 1 . 2]" 1
1369 1 50 ALA HA 1 53 GLN H . . 3.860 3.682 3.365 3.918 0.058 10 0 "[ . 1 . 2]" 1
1370 1 50 ALA HA 1 53 GLN HB2 . . 3.540 3.163 2.898 3.592 0.052 10 0 "[ . 1 . 2]" 1
1371 1 50 ALA HA 1 53 GLN HB3 . . 3.430 2.772 2.349 3.486 0.056 18 0 "[ . 1 . 2]" 1
1372 1 50 ALA HA 1 53 GLN HG2 . . 5.420 4.730 3.672 5.477 0.057 3 0 "[ . 1 . 2]" 1
1373 1 50 ALA HA 1 53 GLN QG . . 4.680 4.113 3.526 4.619 . 0 0 "[ . 1 . 2]" 1
1374 1 50 ALA HA 1 53 GLN HG3 . . 5.420 4.767 3.624 5.470 0.050 10 0 "[ . 1 . 2]" 1
1375 1 50 ALA HA 1 54 ALA H . . 4.760 4.199 3.949 4.773 0.013 10 0 "[ . 1 . 2]" 1
1376 1 50 ALA MB 1 51 LEU H . . 3.050 2.750 2.594 2.918 . 0 0 "[ . 1 . 2]" 1
1377 1 50 ALA MB 1 51 LEU HA . . 4.230 3.944 3.869 4.030 . 0 0 "[ . 1 . 2]" 1
1378 1 50 ALA MB 1 51 LEU MD2 . . 4.360 4.104 3.562 4.425 0.065 7 0 "[ . 1 . 2]" 1
1379 1 50 ALA MB 1 52 VAL H . . 5.240 4.914 4.721 5.059 . 0 0 "[ . 1 . 2]" 1
1380 1 50 ALA MB 1 53 GLN H . . 4.940 4.825 4.566 5.006 0.066 2 0 "[ . 1 . 2]" 1
1381 1 50 ALA MB 1 54 ALA H . . 5.160 4.682 4.449 5.247 0.087 10 0 "[ . 1 . 2]" 1
1382 1 51 LEU H 1 51 LEU HB2 . . 2.980 2.396 2.309 2.593 . 0 0 "[ . 1 . 2]" 1
1383 1 51 LEU H 1 51 LEU HB3 . . 3.620 3.595 3.540 3.653 0.033 9 0 "[ . 1 . 2]" 1
1384 1 51 LEU H 1 51 LEU MD1 . . 3.690 3.479 3.279 3.759 0.069 20 0 "[ . 1 . 2]" 1
1385 1 51 LEU H 1 51 LEU MD2 . . 4.110 3.759 3.270 3.994 . 0 0 "[ . 1 . 2]" 1
1386 1 51 LEU H 1 51 LEU HG . . 2.880 2.574 2.366 2.809 . 0 0 "[ . 1 . 2]" 1
1387 1 51 LEU H 1 52 VAL QG . . 4.570 3.966 3.581 4.374 . 0 0 "[ . 1 . 2]" 1
1388 1 51 LEU H 1 53 GLN H . . 4.580 4.043 3.835 4.314 . 0 0 "[ . 1 . 2]" 1
1389 1 51 LEU H 1 53 GLN HB2 . . 5.270 5.309 5.138 5.341 0.071 12 0 "[ . 1 . 2]" 1
1390 1 51 LEU H 1 54 ALA H . . 4.920 4.787 4.649 4.966 0.046 17 0 "[ . 1 . 2]" 1
1391 1 51 LEU H 1 54 ALA MB . . 5.200 5.010 4.725 5.255 0.055 5 0 "[ . 1 . 2]" 1
1392 1 51 LEU HA 1 51 LEU MD2 . . 2.860 2.206 2.105 2.323 . 0 0 "[ . 1 . 2]" 1
1393 1 51 LEU HA 1 51 LEU HG . . 3.860 2.876 2.653 3.249 . 0 0 "[ . 1 . 2]" 1
1394 1 51 LEU HA 1 52 VAL HA . . 4.810 4.762 4.681 4.855 0.045 10 0 "[ . 1 . 2]" 1
1395 1 51 LEU HA 1 53 GLN H . . 5.020 4.556 4.333 4.867 . 0 0 "[ . 1 . 2]" 1
1396 1 51 LEU HA 1 54 ALA H . . 3.800 3.576 3.266 3.783 . 0 0 "[ . 1 . 2]" 1
1397 1 51 LEU HA 1 55 VAL H . . 5.500 4.911 4.668 5.157 . 0 0 "[ . 1 . 2]" 1
1398 1 51 LEU HB2 1 51 LEU MD1 . . 3.080 2.269 2.182 2.330 . 0 0 "[ . 1 . 2]" 1
1399 1 51 LEU HB2 1 52 VAL H . . 2.670 2.482 2.255 2.644 . 0 0 "[ . 1 . 2]" 1
1400 1 51 LEU HB2 1 52 VAL QG . . 4.250 4.046 3.474 4.305 0.055 3 0 "[ . 1 . 2]" 1
1401 1 51 LEU HB3 1 51 LEU MD1 . . 2.930 2.477 2.351 2.587 . 0 0 "[ . 1 . 2]" 1
1402 1 51 LEU HB3 1 52 VAL H . . 3.710 3.356 3.123 3.621 . 0 0 "[ . 1 . 2]" 1
1403 1 51 LEU MD1 1 52 VAL H . . 4.830 4.327 4.071 4.475 . 0 0 "[ . 1 . 2]" 1
1404 1 51 LEU MD2 1 54 ALA H . . 5.500 5.202 4.938 5.483 . 0 0 "[ . 1 . 2]" 1
1405 1 51 LEU MD2 1 54 ALA MB . . 4.220 3.837 3.446 4.193 . 0 0 "[ . 1 . 2]" 1
1406 1 51 LEU HG 1 52 VAL H . . 4.670 4.537 4.258 4.707 0.037 7 0 "[ . 1 . 2]" 1
1407 1 52 VAL H 1 52 VAL HB . . 3.070 2.404 2.196 2.878 . 0 0 "[ . 1 . 2]" 1
1408 1 52 VAL H 1 52 VAL MG1 . . 3.980 2.418 1.923 3.801 . 0 0 "[ . 1 . 2]" 1
1409 1 52 VAL H 1 52 VAL QG . . 2.570 2.250 1.917 2.464 . 0 0 "[ . 1 . 2]" 1
1410 1 52 VAL H 1 52 VAL MG2 . . 3.980 3.580 2.234 3.815 . 0 0 "[ . 1 . 2]" 1
1411 1 52 VAL H 1 53 GLN H . . 3.140 2.774 2.678 2.886 . 0 0 "[ . 1 . 2]" 1
1412 1 52 VAL H 1 53 GLN HA . . 5.480 5.347 5.229 5.418 . 0 0 "[ . 1 . 2]" 1
1413 1 52 VAL H 1 53 GLN HB2 . . 5.070 4.850 4.655 5.073 0.003 10 0 "[ . 1 . 2]" 1
1414 1 52 VAL H 1 54 ALA MB . . 5.500 5.111 4.898 5.314 . 0 0 "[ . 1 . 2]" 1
1415 1 52 VAL H 1 62 ALA MB . . 4.880 4.923 4.628 4.978 0.098 9 0 "[ . 1 . 2]" 1
1416 1 52 VAL HA 1 52 VAL MG1 . . 3.250 3.214 2.573 3.295 0.045 12 0 "[ . 1 . 2]" 1
1417 1 52 VAL HA 1 52 VAL QG . . 2.490 2.291 2.189 2.482 . 0 0 "[ . 1 . 2]" 1
1418 1 52 VAL HA 1 52 VAL MG2 . . 3.250 2.354 2.223 2.571 . 0 0 "[ . 1 . 2]" 1
1419 1 52 VAL HA 1 53 GLN HA . . 5.500 4.877 4.797 4.944 . 0 0 "[ . 1 . 2]" 1
1420 1 52 VAL HA 1 55 VAL H . . 3.840 3.535 3.394 3.816 . 0 0 "[ . 1 . 2]" 1
1421 1 52 VAL HA 1 55 VAL HB . . 3.690 3.195 2.989 3.467 . 0 0 "[ . 1 . 2]" 1
1422 1 52 VAL HA 1 55 VAL QG . . 4.860 3.064 2.626 3.492 . 0 0 "[ . 1 . 2]" 1
1423 1 52 VAL HA 1 56 GLU H . . 4.570 4.349 4.112 4.613 0.043 19 0 "[ . 1 . 2]" 1
1424 1 52 VAL HA 1 56 GLU QG . . 5.200 4.218 3.821 4.574 . 0 0 "[ . 1 . 2]" 1
1425 1 52 VAL HA 1 62 ALA MB . . 3.110 2.665 2.329 2.838 . 0 0 "[ . 1 . 2]" 1
1426 1 52 VAL HB 1 53 GLN H . . 4.070 3.779 2.421 4.084 0.014 6 0 "[ . 1 . 2]" 1
1427 1 52 VAL QG 1 53 GLN H . . 3.170 2.304 2.081 3.062 . 0 0 "[ . 1 . 2]" 1
1428 1 52 VAL QG 1 53 GLN HA . . 3.730 3.212 3.100 3.312 . 0 0 "[ . 1 . 2]" 1
1429 1 52 VAL QG 1 54 ALA H . . 4.740 4.411 4.192 4.804 0.064 15 0 "[ . 1 . 2]" 1
1430 1 52 VAL QG 1 55 VAL H . . 5.440 4.254 4.077 4.533 . 0 0 "[ . 1 . 2]" 1
1431 1 52 VAL QG 1 56 GLU H . . 4.900 3.924 3.662 4.240 . 0 0 "[ . 1 . 2]" 1
1432 1 52 VAL QG 1 56 GLU HB2 . . 4.760 4.039 3.109 4.455 . 0 0 "[ . 1 . 2]" 1
1433 1 52 VAL QG 1 56 GLU QG . . 3.490 2.560 2.028 3.015 . 0 0 "[ . 1 . 2]" 1
1434 1 52 VAL QG 1 62 ALA H . . 3.810 3.395 2.993 3.726 . 0 0 "[ . 1 . 2]" 1
1435 1 52 VAL QG 1 62 ALA HA . . 4.900 3.795 3.496 4.317 . 0 0 "[ . 1 . 2]" 1
1436 1 52 VAL QG 1 62 ALA MB . . 2.610 2.010 1.898 2.286 . 0 0 "[ . 1 . 2]" 1
1437 1 52 VAL QG 1 63 GLU H . . 4.120 3.231 2.798 3.995 . 0 0 "[ . 1 . 2]" 1
1438 1 52 VAL QG 1 63 GLU HA . . 3.290 2.441 2.131 3.358 0.068 14 0 "[ . 1 . 2]" 1
1439 1 52 VAL QG 1 64 VAL H . . 4.370 3.169 2.803 3.588 . 0 0 "[ . 1 . 2]" 1
1440 1 52 VAL MG1 1 53 GLN H . . 4.180 2.333 2.105 3.215 . 0 0 "[ . 1 . 2]" 1
1441 1 52 VAL MG1 1 56 GLU HB2 . . 5.500 4.797 3.124 5.545 0.045 11 0 "[ . 1 . 2]" 1
1442 1 52 VAL MG1 1 63 GLU H . . 5.500 5.468 4.657 5.590 0.090 12 0 "[ . 1 . 2]" 1
1443 1 52 VAL MG1 1 63 GLU HA . . 4.070 4.014 3.758 4.148 0.078 4 0 "[ . 1 . 2]" 1
1444 1 52 VAL MG2 1 53 GLN H . . 4.180 3.779 3.251 3.978 . 0 0 "[ . 1 . 2]" 1
1445 1 52 VAL MG2 1 56 GLU HB2 . . 5.500 4.576 3.985 5.598 0.098 15 0 "[ . 1 . 2]" 1
1446 1 52 VAL MG2 1 63 GLU H . . 5.500 3.278 2.807 4.237 . 0 0 "[ . 1 . 2]" 1
1447 1 52 VAL MG2 1 63 GLU HA . . 4.070 2.480 2.139 3.553 . 0 0 "[ . 1 . 2]" 1
1448 1 53 GLN H 1 53 GLN HB2 . . 2.930 2.263 2.060 2.403 . 0 0 "[ . 1 . 2]" 1
1449 1 53 GLN H 1 53 GLN HB3 . . 3.330 2.689 2.341 3.221 . 0 0 "[ . 1 . 2]" 1
1450 1 53 GLN H 1 53 GLN HG2 . . 4.730 4.400 3.588 4.603 . 0 0 "[ . 1 . 2]" 1
1451 1 53 GLN H 1 53 GLN QG . . 4.140 3.930 3.413 4.072 . 0 0 "[ . 1 . 2]" 1
1452 1 53 GLN H 1 53 GLN HG3 . . 4.730 4.441 4.244 4.557 . 0 0 "[ . 1 . 2]" 1
1453 1 53 GLN H 1 54 ALA H . . 3.030 2.932 2.790 3.031 0.001 15 0 "[ . 1 . 2]" 1
1454 1 53 GLN H 1 54 ALA MB . . 4.550 4.559 4.407 4.618 0.068 6 0 "[ . 1 . 2]" 1
1455 1 53 GLN H 1 55 VAL H . . 4.990 4.269 4.119 4.478 . 0 0 "[ . 1 . 2]" 1
1456 1 53 GLN H 1 56 GLU H . . 4.940 4.841 4.698 5.003 0.063 3 0 "[ . 1 . 2]" 1
1457 1 53 GLN HA 1 53 GLN HG2 . . 4.030 3.099 2.382 3.840 . 0 0 "[ . 1 . 2]" 1
1458 1 53 GLN HA 1 53 GLN QG . . 3.460 2.586 2.352 2.997 . 0 0 "[ . 1 . 2]" 1
1459 1 53 GLN HA 1 53 GLN HG3 . . 4.030 3.087 2.466 3.803 . 0 0 "[ . 1 . 2]" 1
1460 1 53 GLN HA 1 54 ALA MB . . 5.290 5.058 5.019 5.083 . 0 0 "[ . 1 . 2]" 1
1461 1 53 GLN HA 1 55 VAL H . . 5.190 4.094 3.783 4.381 . 0 0 "[ . 1 . 2]" 1
1462 1 53 GLN HA 1 56 GLU H . . 3.860 3.404 3.054 3.645 . 0 0 "[ . 1 . 2]" 1
1463 1 53 GLN HA 1 56 GLU QG . . 4.950 3.403 2.853 3.865 . 0 0 "[ . 1 . 2]" 1
1464 1 53 GLN HB2 1 53 GLN QG . . 2.480 2.294 2.108 2.433 . 0 0 "[ . 1 . 2]" 1
1465 1 53 GLN HB2 1 54 ALA H . . 3.780 3.741 3.454 3.849 0.069 14 0 "[ . 1 . 2]" 1
1466 1 53 GLN HB3 1 54 ALA H . . 3.240 2.546 2.312 3.283 0.043 18 0 "[ . 1 . 2]" 1
1467 1 53 GLN QE 1 57 GLU QG . . 4.590 3.249 1.861 4.649 0.059 12 0 "[ . 1 . 2]" 1
1468 1 53 GLN QG 1 54 ALA H . . 4.790 3.960 3.489 4.798 0.008 18 0 "[ . 1 . 2]" 1
1469 1 53 GLN HG2 1 54 ALA H . . 5.500 4.493 3.599 5.259 . 0 0 "[ . 1 . 2]" 1
1470 1 53 GLN HG3 1 54 ALA H . . 5.500 4.582 3.681 5.537 0.037 18 0 "[ . 1 . 2]" 1
1471 1 54 ALA H 1 54 ALA MB . . 2.530 2.222 2.189 2.306 . 0 0 "[ . 1 . 2]" 1
1472 1 54 ALA H 1 55 VAL H . . 2.960 2.854 2.561 3.012 0.052 15 0 "[ . 1 . 2]" 1
1473 1 54 ALA H 1 55 VAL QG . . 4.990 4.057 3.792 4.320 . 0 0 "[ . 1 . 2]" 1
1474 1 54 ALA H 1 56 GLU H . . 4.470 4.334 4.010 4.526 0.056 3 0 "[ . 1 . 2]" 1
1475 1 54 ALA H 1 57 GLU H . . 5.000 4.870 4.720 5.058 0.058 14 0 "[ . 1 . 2]" 1
1476 1 54 ALA H 1 57 GLU QG . . 5.340 4.556 3.978 5.270 . 0 0 "[ . 1 . 2]" 1
1477 1 54 ALA HA 1 55 VAL QG . . 5.340 4.642 4.483 4.768 . 0 0 "[ . 1 . 2]" 1
1478 1 54 ALA HA 1 57 GLU H . . 4.040 3.591 3.413 4.086 0.046 14 0 "[ . 1 . 2]" 1
1479 1 54 ALA HA 1 57 GLU QB . . 3.810 2.878 2.426 3.820 0.010 7 0 "[ . 1 . 2]" 1
1480 1 54 ALA HA 1 57 GLU HG2 . . 4.660 3.782 2.096 4.721 0.061 12 0 "[ . 1 . 2]" 1
1481 1 54 ALA HA 1 57 GLU QG . . 3.980 2.819 2.084 3.958 . 0 0 "[ . 1 . 2]" 1
1482 1 54 ALA HA 1 57 GLU HG3 . . 4.660 3.135 2.238 4.254 . 0 0 "[ . 1 . 2]" 1
1483 1 54 ALA MB 1 55 VAL H . . 3.130 2.926 2.639 3.174 0.044 10 0 "[ . 1 . 2]" 1
1484 1 54 ALA MB 1 56 GLU H . . 5.320 4.708 4.593 4.920 . 0 0 "[ . 1 . 2]" 1
1485 1 54 ALA MB 1 57 GLU H . . 4.960 4.716 4.593 4.887 . 0 0 "[ . 1 . 2]" 1
1486 1 54 ALA MB 1 57 GLU QG . . 5.340 4.185 3.452 5.079 . 0 0 "[ . 1 . 2]" 1
1487 1 55 VAL H 1 55 VAL HB . . 2.840 2.489 2.351 2.673 . 0 0 "[ . 1 . 2]" 1
1488 1 55 VAL H 1 55 VAL QG . . 2.720 2.280 2.088 2.452 . 0 0 "[ . 1 . 2]" 1
1489 1 55 VAL H 1 56 GLU H . . 2.820 2.327 2.162 2.577 . 0 0 "[ . 1 . 2]" 1
1490 1 55 VAL H 1 56 GLU HB2 . . 5.000 4.368 3.969 4.807 . 0 0 "[ . 1 . 2]" 1
1491 1 55 VAL H 1 56 GLU HG2 . . 5.500 5.147 4.028 5.567 0.067 4 0 "[ . 1 . 2]" 1
1492 1 55 VAL H 1 56 GLU QG . . 4.810 4.144 3.871 4.861 0.051 15 0 "[ . 1 . 2]" 1
1493 1 55 VAL H 1 56 GLU HG3 . . 5.500 4.600 3.977 5.542 0.042 15 0 "[ . 1 . 2]" 1
1494 1 55 VAL H 1 57 GLU H . . 4.280 3.753 3.457 4.005 . 0 0 "[ . 1 . 2]" 1
1495 1 55 VAL H 1 57 GLU QB . . 5.340 4.822 4.303 5.401 0.061 9 0 "[ . 1 . 2]" 1
1496 1 55 VAL H 1 58 GLU QG . . 5.500 5.245 4.780 5.587 0.087 20 0 "[ . 1 . 2]" 1
1497 1 55 VAL H 1 62 ALA MB . . 5.100 4.002 3.670 4.206 . 0 0 "[ . 1 . 2]" 1
1498 1 55 VAL HA 1 55 VAL QG . . 2.880 2.120 2.070 2.216 . 0 0 "[ . 1 . 2]" 1
1499 1 55 VAL HA 1 56 GLU HA . . 5.500 4.811 4.741 4.948 . 0 0 "[ . 1 . 2]" 1
1500 1 55 VAL HA 1 57 GLU H . . 4.730 4.128 3.697 4.368 . 0 0 "[ . 1 . 2]" 1
1501 1 55 VAL HA 1 58 GLU H . . 3.970 3.431 3.115 3.775 . 0 0 "[ . 1 . 2]" 1
1502 1 55 VAL HA 1 58 GLU HB2 . . 4.320 3.047 2.484 3.603 . 0 0 "[ . 1 . 2]" 1
1503 1 55 VAL HA 1 58 GLU HB3 . . 5.130 4.650 4.060 5.197 0.067 17 0 "[ . 1 . 2]" 1
1504 1 55 VAL HA 1 58 GLU QG . . 4.120 3.180 2.485 3.749 . 0 0 "[ . 1 . 2]" 1
1505 1 55 VAL HA 1 60 TYR H . . 5.110 4.833 4.345 5.127 0.017 18 0 "[ . 1 . 2]" 1
1506 1 55 VAL HA 1 62 ALA MB . . 5.370 4.575 4.384 4.823 . 0 0 "[ . 1 . 2]" 1
1507 1 55 VAL HB 1 56 GLU H . . 3.110 2.759 2.450 3.031 . 0 0 "[ . 1 . 2]" 1
1508 1 55 VAL HB 1 62 ALA H . . 5.130 4.584 3.971 5.057 . 0 0 "[ . 1 . 2]" 1
1509 1 55 VAL HB 1 62 ALA MB . . 3.180 2.220 2.053 2.541 . 0 0 "[ . 1 . 2]" 1
1510 1 55 VAL QG 1 56 GLU H . . 3.400 3.336 3.194 3.473 0.073 4 0 "[ . 1 . 2]" 1
1511 1 55 VAL QG 1 56 GLU HA . . 4.700 3.731 3.532 3.985 . 0 0 "[ . 1 . 2]" 1
1512 1 55 VAL QG 1 56 GLU HB2 . . 5.050 4.930 4.641 5.101 0.051 11 0 "[ . 1 . 2]" 1
1513 1 55 VAL QG 1 56 GLU QG . . 5.330 3.724 3.290 4.206 . 0 0 "[ . 1 . 2]" 1
1514 1 55 VAL QG 1 57 GLU H . . 4.880 4.559 4.285 4.716 . 0 0 "[ . 1 . 2]" 1
1515 1 55 VAL QG 1 58 GLU H . . 4.710 4.169 3.870 4.439 . 0 0 "[ . 1 . 2]" 1
1516 1 55 VAL QG 1 58 GLU HB2 . . 5.460 3.475 2.915 3.927 . 0 0 "[ . 1 . 2]" 1
1517 1 55 VAL QG 1 58 GLU HB3 . . 5.070 4.572 4.038 5.039 . 0 0 "[ . 1 . 2]" 1
1518 1 55 VAL QG 1 58 GLU QG . . 5.400 3.806 3.094 4.385 . 0 0 "[ . 1 . 2]" 1
1519 1 55 VAL QG 1 59 GLY H . . 5.180 4.955 4.648 5.228 0.048 13 0 "[ . 1 . 2]" 1
1520 1 55 VAL QG 1 60 TYR H . . 3.730 3.651 3.375 3.806 0.076 10 0 "[ . 1 . 2]" 1
1521 1 55 VAL QG 1 60 TYR HA . . 5.170 4.520 4.271 4.850 . 0 0 "[ . 1 . 2]" 1
1522 1 55 VAL QG 1 60 TYR HB2 . . 3.040 2.153 1.982 2.337 . 0 0 "[ . 1 . 2]" 1
1523 1 55 VAL QG 1 60 TYR HB3 . . 3.520 3.092 2.552 3.407 . 0 0 "[ . 1 . 2]" 1
1524 1 55 VAL QG 1 60 TYR QD . . 3.970 3.178 2.388 3.561 . 0 0 "[ . 1 . 2]" 1
1525 1 55 VAL QG 1 61 LYS H . . 4.240 4.068 3.316 4.329 0.089 11 0 "[ . 1 . 2]" 1
1526 1 55 VAL QG 1 61 LYS HA . . 5.440 4.436 3.831 4.749 . 0 0 "[ . 1 . 2]" 1
1527 1 55 VAL QG 1 62 ALA H . . 4.470 4.006 3.577 4.493 0.023 10 0 "[ . 1 . 2]" 1
1528 1 55 VAL QG 1 62 ALA HA . . 5.250 3.826 3.429 4.150 . 0 0 "[ . 1 . 2]" 1
1529 1 55 VAL QG 1 62 ALA MB . . 2.870 2.073 1.952 2.183 . 0 0 "[ . 1 . 2]" 1
1530 1 56 GLU H 1 56 GLU HB2 . . 2.920 2.353 1.979 2.539 . 0 0 "[ . 1 . 2]" 1
1531 1 56 GLU H 1 56 GLU HB3 . . 3.890 3.554 3.328 3.624 . 0 0 "[ . 1 . 2]" 1
1532 1 56 GLU H 1 56 GLU QG . . 2.980 2.415 2.168 3.007 0.027 15 0 "[ . 1 . 2]" 1
1533 1 56 GLU H 1 57 GLU QG . . 5.160 4.376 4.122 5.043 . 0 0 "[ . 1 . 2]" 1
1534 1 56 GLU H 1 58 GLU H . . 4.440 4.126 3.903 4.423 . 0 0 "[ . 1 . 2]" 1
1535 1 56 GLU H 1 60 TYR H . . 5.390 5.174 4.832 5.439 0.049 17 0 "[ . 1 . 2]" 1
1536 1 56 GLU H 1 62 ALA H . . 5.050 4.985 4.555 5.113 0.063 19 0 "[ . 1 . 2]" 1
1537 1 56 GLU H 1 62 ALA MB . . 4.320 3.629 3.211 3.986 . 0 0 "[ . 1 . 2]" 1
1538 1 56 GLU HA 1 56 GLU QG . . 3.190 2.469 2.201 2.844 . 0 0 "[ . 1 . 2]" 1
1539 1 56 GLU HA 1 58 GLU H . . 4.250 3.828 3.548 4.124 . 0 0 "[ . 1 . 2]" 1
1540 1 56 GLU HA 1 59 GLY H . . 3.960 3.507 3.039 3.862 . 0 0 "[ . 1 . 2]" 1
1541 1 56 GLU HA 1 60 TYR H . . 3.400 3.140 2.901 3.408 0.008 10 0 "[ . 1 . 2]" 1
1542 1 56 GLU HB2 1 62 ALA H . . 5.310 5.374 5.338 5.393 0.083 16 0 "[ . 1 . 2]" 1
1543 1 56 GLU HB3 1 57 GLU H . . 4.250 3.787 3.115 4.254 0.004 14 0 "[ . 1 . 2]" 1
1544 1 56 GLU HB3 1 60 TYR H . . 5.500 5.455 5.169 5.571 0.071 15 0 "[ . 1 . 2]" 1
1545 1 56 GLU QG 1 57 GLU H . . 4.790 4.273 4.012 4.596 . 0 0 "[ . 1 . 2]" 1
1546 1 56 GLU QG 1 61 LYS HA . . 4.270 3.203 2.362 4.336 0.066 11 0 "[ . 1 . 2]" 1
1547 1 56 GLU QG 1 62 ALA H . . 3.730 2.648 2.352 2.982 . 0 0 "[ . 1 . 2]" 1
1548 1 56 GLU QG 1 62 ALA MB . . 3.820 2.726 2.152 3.427 . 0 0 "[ . 1 . 2]" 1
1549 1 56 GLU HG2 1 62 ALA H . . 4.420 2.765 2.390 3.041 . 0 0 "[ . 1 . 2]" 1
1550 1 56 GLU HG2 1 62 ALA MB . . 4.390 3.263 2.393 4.058 . 0 0 "[ . 1 . 2]" 1
1551 1 56 GLU HG3 1 62 ALA H . . 4.420 3.492 3.005 4.326 . 0 0 "[ . 1 . 2]" 1
1552 1 56 GLU HG3 1 62 ALA MB . . 4.390 3.233 2.285 4.252 . 0 0 "[ . 1 . 2]" 1
1553 1 57 GLU H 1 57 GLU HA . . 2.940 2.858 2.808 2.981 0.041 14 0 "[ . 1 . 2]" 1
1554 1 57 GLU H 1 57 GLU QB . . 2.670 2.346 2.068 2.610 . 0 0 "[ . 1 . 2]" 1
1555 1 57 GLU H 1 57 GLU HG2 . . 3.850 2.669 2.251 3.506 . 0 0 "[ . 1 . 2]" 1
1556 1 57 GLU H 1 57 GLU QG . . 3.070 2.477 2.217 2.925 . 0 0 "[ . 1 . 2]" 1
1557 1 57 GLU H 1 57 GLU HG3 . . 3.850 3.309 2.407 3.913 0.063 18 0 "[ . 1 . 2]" 1
1558 1 57 GLU H 1 58 GLU H . . 3.010 2.709 2.060 2.832 . 0 0 "[ . 1 . 2]" 1
1559 1 57 GLU H 1 59 GLY H . . 4.280 4.119 3.778 4.316 0.036 11 0 "[ . 1 . 2]" 1
1560 1 57 GLU H 1 60 TYR H . . 5.500 5.201 4.680 5.428 . 0 0 "[ . 1 . 2]" 1
1561 1 57 GLU HA 1 57 GLU HG2 . . 4.040 2.800 2.353 3.854 . 0 0 "[ . 1 . 2]" 1
1562 1 57 GLU HA 1 57 GLU QG . . 3.470 2.682 2.310 3.369 . 0 0 "[ . 1 . 2]" 1
1563 1 57 GLU HA 1 57 GLU HG3 . . 4.040 3.649 3.132 3.787 . 0 0 "[ . 1 . 2]" 1
1564 1 57 GLU QG 1 58 GLU H . . 5.340 4.204 2.776 4.667 . 0 0 "[ . 1 . 2]" 1
1565 1 58 GLU H 1 58 GLU HB2 . . 2.850 2.352 2.159 2.502 . 0 0 "[ . 1 . 2]" 1
1566 1 58 GLU H 1 58 GLU HB3 . . 3.760 3.590 3.426 3.671 . 0 0 "[ . 1 . 2]" 1
1567 1 58 GLU H 1 58 GLU QG . . 3.090 2.827 2.475 3.155 0.065 14 0 "[ . 1 . 2]" 1
1568 1 58 GLU H 1 59 GLY H . . 2.980 2.394 2.063 2.604 . 0 0 "[ . 1 . 2]" 1
1569 1 58 GLU H 1 59 GLY HA2 . . 5.340 4.716 4.353 4.924 . 0 0 "[ . 1 . 2]" 1
1570 1 58 GLU H 1 59 GLY QA . . 4.670 4.346 4.045 4.518 . 0 0 "[ . 1 . 2]" 1
1571 1 58 GLU H 1 59 GLY HA3 . . 5.340 5.092 4.805 5.284 . 0 0 "[ . 1 . 2]" 1
1572 1 58 GLU H 1 60 TYR QD . . 4.330 4.011 3.791 4.257 . 0 0 "[ . 1 . 2]" 1
1573 1 58 GLU H 1 60 TYR QE . . 5.500 5.473 5.176 5.582 0.082 8 0 "[ . 1 . 2]" 1
1574 1 58 GLU HA 1 58 GLU QG . . 3.500 2.880 2.683 3.115 . 0 0 "[ . 1 . 2]" 1
1575 1 58 GLU HA 1 60 TYR H . . 5.420 4.856 4.625 5.162 . 0 0 "[ . 1 . 2]" 1
1576 1 58 GLU HB2 1 58 GLU QG . . 2.700 2.162 2.134 2.183 . 0 0 "[ . 1 . 2]" 1
1577 1 58 GLU HB2 1 59 GLY H . . 4.490 3.531 3.161 3.788 . 0 0 "[ . 1 . 2]" 1
1578 1 58 GLU HB2 1 59 GLY QA . . 5.230 4.753 4.562 4.921 . 0 0 "[ . 1 . 2]" 1
1579 1 58 GLU HB2 1 60 TYR H . . 4.360 3.419 3.085 3.950 . 0 0 "[ . 1 . 2]" 1
1580 1 58 GLU HB2 1 60 TYR QD . . 4.080 2.273 2.060 2.708 . 0 0 "[ . 1 . 2]" 1
1581 1 58 GLU HB2 1 60 TYR QE . . 4.440 3.460 2.981 3.776 . 0 0 "[ . 1 . 2]" 1
1582 1 58 GLU HB3 1 58 GLU QG . . 2.590 2.346 2.292 2.412 . 0 0 "[ . 1 . 2]" 1
1583 1 58 GLU HB3 1 59 GLY H . . 4.890 4.156 3.840 4.433 . 0 0 "[ . 1 . 2]" 1
1584 1 58 GLU HB3 1 60 TYR H . . 4.360 4.229 3.825 4.424 0.064 11 0 "[ . 1 . 2]" 1
1585 1 58 GLU HB3 1 60 TYR QD . . 4.360 2.597 2.281 3.077 . 0 0 "[ . 1 . 2]" 1
1586 1 58 GLU HB3 1 60 TYR QE . . 4.180 2.353 2.079 2.635 . 0 0 "[ . 1 . 2]" 1
1587 1 58 GLU QG 1 59 GLY H . . 4.940 4.615 4.418 4.771 . 0 0 "[ . 1 . 2]" 1
1588 1 58 GLU QG 1 60 TYR QD . . 4.540 3.798 3.540 4.082 . 0 0 "[ . 1 . 2]" 1
1589 1 58 GLU QG 1 60 TYR QE . . 4.270 3.898 3.140 4.346 0.076 12 0 "[ . 1 . 2]" 1
1590 1 59 GLY H 1 60 TYR H . . 2.940 2.427 2.225 2.605 . 0 0 "[ . 1 . 2]" 1
1591 1 59 GLY H 1 60 TYR QD . . 4.770 4.003 3.442 4.430 . 0 0 "[ . 1 . 2]" 1
1592 1 60 TYR H 1 60 TYR HB2 . . 3.200 2.541 2.431 2.725 . 0 0 "[ . 1 . 2]" 1
1593 1 60 TYR H 1 60 TYR HB3 . . 4.000 3.710 3.606 3.835 . 0 0 "[ . 1 . 2]" 1
1594 1 60 TYR H 1 60 TYR QD . . 3.160 2.631 2.264 3.103 . 0 0 "[ . 1 . 2]" 1
1595 1 60 TYR H 1 60 TYR QE . . 4.780 4.602 4.257 4.855 0.075 14 0 "[ . 1 . 2]" 1
1596 1 60 TYR HB2 1 61 LYS H . . 3.600 3.459 3.199 3.664 0.064 7 0 "[ . 1 . 2]" 1
1597 1 60 TYR HB3 1 61 LYS H . . 2.860 2.342 2.066 2.578 . 0 0 "[ . 1 . 2]" 1
1598 1 60 TYR HB3 1 62 ALA MB . . 5.210 4.604 4.211 5.090 . 0 0 "[ . 1 . 2]" 1
1599 1 60 TYR QD 1 61 LYS H . . 4.300 3.849 3.649 4.075 . 0 0 "[ . 1 . 2]" 1
1600 1 61 LYS H 1 61 LYS QB . . 2.850 2.402 2.165 2.589 . 0 0 "[ . 1 . 2]" 1
1601 1 61 LYS H 1 61 LYS QG . . 4.040 3.603 2.841 4.103 0.063 5 0 "[ . 1 . 2]" 1
1602 1 61 LYS H 1 62 ALA H . . 4.580 4.369 4.086 4.609 0.029 19 0 "[ . 1 . 2]" 1
1603 1 61 LYS HA 1 61 LYS QD . . 4.430 3.565 2.189 4.236 . 0 0 "[ . 1 . 2]" 1
1604 1 61 LYS HA 1 61 LYS QG . . 3.190 2.474 2.264 3.186 . 0 0 "[ . 1 . 2]" 1
1605 1 61 LYS HA 1 62 ALA H . . 2.580 2.244 2.110 2.291 . 0 0 "[ . 1 . 2]" 1
1606 1 61 LYS HA 1 62 ALA MB . . 4.500 4.022 3.809 4.152 . 0 0 "[ . 1 . 2]" 1
1607 1 61 LYS QB 1 61 LYS QG . . 2.350 2.088 1.997 2.129 . 0 0 "[ . 1 . 2]" 1
1608 1 61 LYS QB 1 62 ALA H . . 3.930 3.671 3.025 3.998 0.068 5 0 "[ . 1 . 2]" 1
1609 1 61 LYS QD 1 61 LYS HG2 . . 2.750 2.345 2.149 2.470 . 0 0 "[ . 1 . 2]" 1
1610 1 61 LYS QD 1 61 LYS QG . . 2.310 2.048 1.993 2.119 . 0 0 "[ . 1 . 2]" 1
1611 1 61 LYS QD 1 61 LYS HG3 . . 2.750 2.278 2.149 2.482 . 0 0 "[ . 1 . 2]" 1
1612 1 61 LYS QG 1 62 ALA H . . 4.490 3.529 2.418 4.573 0.083 8 0 "[ . 1 . 2]" 1
1613 1 62 ALA H 1 62 ALA MB . . 2.950 2.514 2.257 2.644 . 0 0 "[ . 1 . 2]" 1
1614 1 62 ALA H 1 63 GLU H . . 4.690 4.480 4.339 4.590 . 0 0 "[ . 1 . 2]" 1
1615 1 62 ALA HA 1 63 GLU H . . 2.540 2.349 2.191 2.499 . 0 0 "[ . 1 . 2]" 1
1616 1 62 ALA MB 1 63 GLU H . . 2.930 2.588 2.269 2.984 0.054 19 0 "[ . 1 . 2]" 1
1617 1 62 ALA MB 1 63 GLU HA . . 4.550 3.969 3.852 4.134 . 0 0 "[ . 1 . 2]" 1
1618 1 62 ALA MB 1 64 VAL H . . 5.220 5.164 4.800 5.299 0.079 17 0 "[ . 1 . 2]" 1
1619 1 63 GLU H 1 63 GLU HG2 . . 4.760 3.719 2.478 4.794 0.034 18 0 "[ . 1 . 2]" 1
1620 1 63 GLU H 1 63 GLU HG3 . . 4.760 4.080 3.359 4.661 . 0 0 "[ . 1 . 2]" 1
1621 1 63 GLU H 1 64 VAL H . . 4.800 4.225 4.157 4.302 . 0 0 "[ . 1 . 2]" 1
1622 1 63 GLU H 1 64 VAL HA . . 5.200 4.546 4.438 4.693 . 0 0 "[ . 1 . 2]" 1
1623 1 63 GLU HA 1 64 VAL H . . 2.540 2.242 2.123 2.317 . 0 0 "[ . 1 . 2]" 1
1624 1 63 GLU HA 1 64 VAL QG . . 4.550 3.645 3.225 4.272 . 0 0 "[ . 1 . 2]" 1
1625 1 63 GLU QB 1 63 GLU QG . . 2.360 2.101 2.034 2.128 . 0 0 "[ . 1 . 2]" 1
1626 1 63 GLU QB 1 64 VAL H . . 4.300 3.384 2.829 3.948 . 0 0 "[ . 1 . 2]" 1
1627 1 63 GLU HB2 1 64 VAL H . . 5.000 3.680 2.891 4.499 . 0 0 "[ . 1 . 2]" 1
1628 1 63 GLU HB3 1 64 VAL H . . 5.000 4.140 3.960 4.370 . 0 0 "[ . 1 . 2]" 1
1629 1 63 GLU QG 1 64 VAL H . . 5.040 3.176 2.098 4.249 . 0 0 "[ . 1 . 2]" 1
1630 1 63 GLU QG 1 65 LEU MD2 . . 4.050 2.939 2.319 3.391 . 0 0 "[ . 1 . 2]" 1
1631 1 63 GLU HG2 1 65 LEU MD2 . . 4.680 3.579 2.345 4.738 0.058 19 0 "[ . 1 . 2]" 1
1632 1 63 GLU HG3 1 65 LEU MD2 . . 4.680 3.689 2.684 4.739 0.059 16 0 "[ . 1 . 2]" 1
1633 1 64 VAL H 1 64 VAL HB . . 2.810 2.514 2.203 2.872 0.062 3 0 "[ . 1 . 2]" 1
1634 1 64 VAL H 1 64 VAL QG . . 2.870 2.145 1.869 2.459 . 0 0 "[ . 1 . 2]" 1
1635 1 64 VAL H 1 66 ALA H . . 5.500 5.214 4.878 5.566 0.066 8 0 "[ . 1 . 2]" 1
1636 1 64 VAL HA 1 64 VAL MG1 . . 3.280 2.857 2.309 3.289 0.009 14 0 "[ . 1 . 2]" 1
1637 1 64 VAL HA 1 64 VAL MG2 . . 3.280 2.414 2.226 2.564 . 0 0 "[ . 1 . 2]" 1
1638 1 64 VAL HA 1 65 LEU H . . 2.610 2.242 2.133 2.343 . 0 0 "[ . 1 . 2]" 1
1639 1 64 VAL HA 1 66 ALA MB . . 5.390 4.796 4.499 5.438 0.048 9 0 "[ . 1 . 2]" 1
1640 1 64 VAL HB 1 65 LEU H . . 4.480 4.110 3.931 4.335 . 0 0 "[ . 1 . 2]" 1
1641 1 64 VAL QG 1 65 LEU H . . 3.120 2.453 1.975 2.904 . 0 0 "[ . 1 . 2]" 1
1642 1 64 VAL QG 1 65 LEU HA . . 4.710 3.781 3.495 4.179 . 0 0 "[ . 1 . 2]" 1
1643 1 64 VAL QG 1 66 ALA H . . 4.080 1.944 1.704 2.459 . 0 0 "[ . 1 . 2]" 1
1644 1 64 VAL QG 1 66 ALA HA . . 4.020 3.899 3.584 4.103 0.083 13 0 "[ . 1 . 2]" 1
1645 1 64 VAL QG 1 66 ALA MB . . 3.790 2.183 1.967 2.491 . 0 0 "[ . 1 . 2]" 1
1646 1 64 VAL MG1 1 65 LEU H . . 4.200 3.187 2.303 4.256 0.056 3 0 "[ . 1 . 2]" 1
1647 1 64 VAL MG2 1 65 LEU H . . 4.200 3.233 1.987 4.265 0.065 12 0 "[ . 1 . 2]" 1
1648 1 65 LEU H 1 65 LEU QB . . 3.140 2.497 2.357 2.674 . 0 0 "[ . 1 . 2]" 1
1649 1 65 LEU H 1 65 LEU MD1 . . 4.380 4.020 3.735 4.338 . 0 0 "[ . 1 . 2]" 1
1650 1 65 LEU H 1 65 LEU MD2 . . 4.600 3.789 3.502 4.047 . 0 0 "[ . 1 . 2]" 1
1651 1 65 LEU H 1 65 LEU HG . . 3.300 2.956 2.532 3.342 0.042 9 0 "[ . 1 . 2]" 1
1652 1 65 LEU H 1 66 ALA H . . 4.180 2.780 2.271 3.192 . 0 0 "[ . 1 . 2]" 1
1653 1 65 LEU H 1 66 ALA MB . . 4.790 3.850 3.383 4.308 . 0 0 "[ . 1 . 2]" 1
1654 1 65 LEU HA 1 65 LEU MD2 . . 2.740 2.147 2.056 2.227 . 0 0 "[ . 1 . 2]" 1
1655 1 65 LEU HA 1 66 ALA H . . 3.000 2.867 2.455 3.065 0.065 4 0 "[ . 1 . 2]" 1
1656 1 65 LEU HA 1 66 ALA HA . . 4.680 4.596 4.411 4.744 0.064 10 0 "[ . 1 . 2]" 1
1657 1 65 LEU HA 1 66 ALA MB . . 4.890 4.630 4.298 4.784 . 0 0 "[ . 1 . 2]" 1
1658 1 65 LEU QB 1 65 LEU MD1 . . 3.210 2.072 2.038 2.132 . 0 0 "[ . 1 . 2]" 1
1659 1 65 LEU QB 1 66 ALA H . . 4.410 3.814 3.566 3.930 . 0 0 "[ . 1 . 2]" 1
1660 1 65 LEU MD2 1 66 ALA H . . 5.290 4.516 4.194 4.732 . 0 0 "[ . 1 . 2]" 1
1661 1 66 ALA H 1 66 ALA MB . . 3.000 2.425 2.190 2.690 . 0 0 "[ . 1 . 2]" 1
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