NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638083 |
5zsw   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5zsw
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 1378
_Distance_constraint_stats_list.Viol_count 2863
_Distance_constraint_stats_list.Viol_total 4618.488
_Distance_constraint_stats_list.Viol_max 0.994
_Distance_constraint_stats_list.Viol_rms 0.0379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0807
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 HIS 4.833 0.806 9 3 "[ - +1 . *2]"
1 4 ASP 1.497 0.091 18 0 "[ . 1 . 2]"
1 5 THR 6.895 0.806 9 3 "[ - +1 . *2]"
1 6 ILE 8.375 0.402 13 0 "[ . 1 . 2]"
1 7 ILE 6.385 0.310 8 0 "[ . 1 . 2]"
1 8 LEU 3.364 0.415 16 0 "[ . 1 . 2]"
1 9 ARG 3.352 0.117 17 0 "[ . 1 . 2]"
1 10 ASN 3.719 0.490 16 0 "[ . 1 . 2]"
1 11 LEU 8.123 0.415 16 0 "[ . 1 . 2]"
1 12 ASN 3.965 0.504 15 1 "[ . 1 + 2]"
1 13 PRO 4.402 0.092 3 0 "[ . 1 . 2]"
1 14 HIS 2.680 0.095 16 0 "[ . 1 . 2]"
1 15 SER 10.672 0.854 14 2 "[ . 1 +. -2]"
1 16 THR 5.977 0.495 3 0 "[ . 1 . 2]"
1 17 MET 7.201 0.813 20 3 "[ . 1 * . * +]"
1 18 ASP 1.094 0.086 15 0 "[ . 1 . 2]"
1 19 SER 3.974 0.223 10 0 "[ . 1 . 2]"
1 20 ILE 10.823 0.854 14 5 "[ . 1 *+. * -*]"
1 21 LEU 3.979 0.800 9 3 "[ . +1 * . -]"
1 22 GLY 1.807 0.126 3 0 "[ . 1 . 2]"
1 23 ALA 1.669 0.098 14 0 "[ . 1 . 2]"
1 24 LEU 2.307 0.800 9 1 "[ . +1 . 2]"
1 25 ALA 3.170 0.126 3 0 "[ . 1 . 2]"
1 26 PRO 1.984 0.090 20 0 "[ . 1 . 2]"
1 27 TYR 11.344 0.604 12 1 "[ . 1 + . 2]"
1 28 ALA 5.069 0.458 12 0 "[ . 1 . 2]"
1 29 VAL 3.656 0.114 14 0 "[ . 1 . 2]"
1 30 LEU 4.437 0.114 14 0 "[ . 1 . 2]"
1 31 SER 4.125 0.455 8 0 "[ . 1 . 2]"
1 32 SER 2.137 0.344 10 0 "[ . 1 . 2]"
1 33 SER 4.701 0.399 8 0 "[ . 1 . 2]"
1 34 ASN 2.968 0.455 8 0 "[ . 1 . 2]"
1 35 VAL 4.597 0.813 20 1 "[ . 1 . +]"
1 36 ARG 8.620 0.469 11 0 "[ . 1 . 2]"
1 37 VAL 6.199 0.114 16 0 "[ . 1 . 2]"
1 38 ILE 4.823 0.115 2 0 "[ . 1 . 2]"
1 39 LYS 2.365 0.382 14 0 "[ . 1 . 2]"
1 40 ASP 5.195 0.124 16 0 "[ . 1 . 2]"
1 41 LYS 3.370 0.466 14 0 "[ . 1 . 2]"
1 42 GLN 5.774 0.466 14 0 "[ . 1 . 2]"
1 43 THR 4.421 0.112 4 0 "[ . 1 . 2]"
1 44 GLN 0.518 0.068 15 0 "[ . 1 . 2]"
1 45 LEU 7.036 0.124 16 0 "[ . 1 . 2]"
1 46 ASN 11.177 0.321 19 0 "[ . 1 . 2]"
1 47 ARG 3.498 0.115 2 0 "[ . 1 . 2]"
1 48 GLY 3.198 0.085 16 0 "[ . 1 . 2]"
1 49 PHE 3.626 0.102 8 0 "[ . 1 . 2]"
1 50 ALA 0.939 0.089 9 0 "[ . 1 . 2]"
1 51 PHE 4.353 0.095 9 0 "[ . 1 . 2]"
1 52 ILE 5.073 0.177 18 0 "[ . 1 . 2]"
1 53 GLN 3.264 0.214 2 0 "[ . 1 . 2]"
1 54 LEU 6.204 0.112 5 0 "[ . 1 . 2]"
1 55 SER 2.026 0.085 10 0 "[ . 1 . 2]"
1 56 THR 2.665 0.120 18 0 "[ . 1 . 2]"
1 57 ILE 4.925 0.272 5 0 "[ . 1 . 2]"
1 58 VAL 10.887 0.994 11 5 "[- ** 1+ . * 2]"
1 59 GLU 2.952 0.752 12 1 "[ . 1 + . 2]"
1 60 ALA 4.099 0.521 19 1 "[ . 1 . +2]"
1 61 ALA 2.236 0.114 11 0 "[ . 1 . 2]"
1 62 GLN 19.186 0.994 11 9 "[* ** 1+* * **-2]"
1 63 LEU 11.949 0.752 12 5 "[* . 1 + * *-2]"
1 64 LEU 4.030 0.402 13 0 "[ . 1 . 2]"
1 65 GLN 2.265 0.951 12 1 "[ . 1 + . 2]"
1 66 ILE 5.616 0.951 12 1 "[ . 1 + . 2]"
1 67 LEU 5.616 0.604 12 1 "[ . 1 + . 2]"
1 68 GLN 3.375 0.303 9 0 "[ . 1 . 2]"
1 69 ALA 2.834 0.303 9 0 "[ . 1 . 2]"
1 70 LEU 6.083 0.719 15 3 "[ . - 1 * + 2]"
1 71 HIS 3.329 0.719 15 2 "[ . 1 - + 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 1.987 0.188 17 0 "[ . 1 . 2]"
1 75 THR 6.927 0.156 13 0 "[ . 1 . 2]"
1 76 ILE 13.002 0.593 15 2 "[ . 1 + -2]"
1 77 ASP 0.909 0.504 15 1 "[ . 1 + 2]"
1 78 GLY 2.075 0.698 15 1 "[ . 1 + 2]"
1 79 LYS 8.611 0.795 15 2 "[ . 1 + -2]"
1 80 THR 3.947 0.384 15 0 "[ . 1 . 2]"
1 81 ILE 9.520 0.795 15 2 "[ . 1 + -2]"
1 82 ASN 10.840 0.490 16 0 "[ . 1 . 2]"
1 83 VAL 1.427 0.313 8 0 "[ . 1 . 2]"
1 84 GLU 5.615 0.310 8 0 "[ . 1 . 2]"
1 85 PHE 4.956 0.098 5 0 "[ . 1 . 2]"
1 86 ALA 2.862 0.099 12 0 "[ . 1 . 2]"
1 87 LYS 1.472 0.214 17 0 "[ . 1 . 2]"
1 88 GLY 1.359 0.214 3 0 "[ . 1 . 2]"
1 89 SER 1.778 0.214 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 HIS HA 1 4 ASP H . . 4.360 3.825 2.752 4.422 0.062 18 0 "[ . 1 . 2]" 1
2 1 2 HIS HA 1 5 THR H . . 4.040 4.045 3.601 4.140 0.100 20 0 "[ . 1 . 2]" 1
3 1 2 HIS HB2 1 57 ILE MG . . 4.560 4.054 3.160 4.832 0.272 5 0 "[ . 1 . 2]" 1
4 1 2 HIS HB3 1 5 THR H . . 5.500 5.101 3.861 6.306 0.806 9 3 "[ - +1 . *2]" 1
5 1 2 HIS HB3 1 57 ILE MG . . 4.730 4.482 2.080 4.839 0.109 11 0 "[ . 1 . 2]" 1
6 1 4 ASP H 1 5 THR HB . . 5.500 4.879 3.588 5.569 0.069 12 0 "[ . 1 . 2]" 1
7 1 4 ASP H 1 54 LEU H . . 5.500 5.463 5.004 5.591 0.091 18 0 "[ . 1 . 2]" 1
8 1 4 ASP H 1 57 ILE HB . . 5.500 4.238 2.974 5.579 0.079 19 0 "[ . 1 . 2]" 1
9 1 4 ASP HA 1 54 LEU H . . 5.500 3.700 3.125 4.252 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASP HA 1 54 LEU QD . . 5.110 3.923 2.383 4.573 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASP HA 1 57 ILE HA . . 3.490 2.711 2.050 3.210 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASP QB 1 5 THR H . . 4.870 3.865 2.903 4.148 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASP QB 1 53 GLN HE21 . . 5.500 3.065 2.173 3.817 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASP QB 1 53 GLN HE22 . . 5.500 4.016 2.350 5.401 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASP QB 1 53 GLN QG . . 4.830 3.475 2.467 4.568 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASP QB 1 54 LEU H . . 4.760 2.852 1.822 4.437 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASP QB 1 56 THR HA . . 4.770 3.412 2.006 4.482 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASP QB 1 57 ILE HA . . 4.430 3.281 2.043 4.275 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASP QB 1 57 ILE MG . . 4.370 2.948 2.078 4.145 . 0 0 "[ . 1 . 2]" 1
20 1 5 THR H 1 5 THR HB . . 3.330 2.842 2.489 3.063 . 0 0 "[ . 1 . 2]" 1
21 1 5 THR H 1 5 THR MG . . 4.360 3.950 3.682 4.046 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR H 1 6 ILE H . . 4.920 4.402 4.104 4.739 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR H 1 6 ILE MD . . 5.500 5.240 4.147 5.607 0.107 20 0 "[ . 1 . 2]" 1
24 1 5 THR H 1 54 LEU H . . 5.500 4.651 3.929 4.911 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR H 1 54 LEU HB2 . . 4.990 4.597 3.840 5.090 0.100 20 0 "[ . 1 . 2]" 1
26 1 5 THR H 1 86 ALA H . . 5.500 4.814 3.969 5.561 0.061 19 0 "[ . 1 . 2]" 1
27 1 5 THR H 1 86 ALA MB . . 5.200 3.891 3.168 4.448 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR HA 1 5 THR MG . . 3.170 2.377 2.262 2.547 . 0 0 "[ . 1 . 2]" 1
29 1 5 THR HA 1 6 ILE H . . 3.010 2.213 2.114 2.328 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR HA 1 6 ILE HB . . 4.840 4.601 4.258 4.905 0.065 13 0 "[ . 1 . 2]" 1
31 1 5 THR HA 1 6 ILE MD . . 4.960 4.839 3.822 5.061 0.101 7 0 "[ . 1 . 2]" 1
32 1 5 THR HA 1 6 ILE HG12 . . 5.180 4.531 3.323 5.239 0.059 12 0 "[ . 1 . 2]" 1
33 1 5 THR HA 1 6 ILE HG13 . . 4.990 3.866 3.281 5.060 0.070 5 0 "[ . 1 . 2]" 1
34 1 5 THR HA 1 53 GLN H . . 5.380 4.720 4.291 5.079 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR HA 1 53 GLN HA . . 3.240 2.406 1.971 2.887 . 0 0 "[ . 1 . 2]" 1
36 1 5 THR HA 1 53 GLN HB2 . . 5.150 4.747 3.748 5.221 0.071 6 0 "[ . 1 . 2]" 1
37 1 5 THR HA 1 53 GLN QG . . 4.630 4.127 2.394 4.565 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR HA 1 54 LEU H . . 4.020 3.329 2.242 3.956 . 0 0 "[ . 1 . 2]" 1
39 1 5 THR HA 1 54 LEU QD . . 4.390 3.461 2.353 4.421 0.031 19 0 "[ . 1 . 2]" 1
40 1 5 THR HA 1 86 ALA MB . . 5.040 3.998 3.645 5.002 . 0 0 "[ . 1 . 2]" 1
41 1 5 THR HB 1 6 ILE H . . 4.950 3.961 3.733 4.262 . 0 0 "[ . 1 . 2]" 1
42 1 5 THR HB 1 53 GLN HE21 . . 5.500 4.873 4.065 5.565 0.065 11 0 "[ . 1 . 2]" 1
43 1 5 THR HB 1 86 ALA H . . 5.190 4.191 3.518 4.511 . 0 0 "[ . 1 . 2]" 1
44 1 5 THR HB 1 86 ALA MB . . 3.360 2.185 1.992 2.826 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR MG 1 6 ILE H . . 3.320 2.495 2.218 2.929 . 0 0 "[ . 1 . 2]" 1
46 1 5 THR MG 1 51 PHE HA . . 4.150 3.101 2.363 3.910 . 0 0 "[ . 1 . 2]" 1
47 1 5 THR MG 1 51 PHE HB3 . . 3.110 2.512 2.071 3.162 0.052 11 0 "[ . 1 . 2]" 1
48 1 5 THR MG 1 51 PHE HE1 . . 4.700 3.704 2.639 4.150 . 0 0 "[ . 1 . 2]" 1
49 1 5 THR MG 1 52 ILE H . . 4.150 3.155 2.465 3.924 . 0 0 "[ . 1 . 2]" 1
50 1 5 THR MG 1 53 GLN H . . 5.480 4.125 3.009 5.347 . 0 0 "[ . 1 . 2]" 1
51 1 5 THR MG 1 53 GLN HA . . 3.780 2.988 2.543 3.832 0.052 13 0 "[ . 1 . 2]" 1
52 1 5 THR MG 1 53 GLN HB2 . . 4.430 3.927 3.072 4.644 0.214 2 0 "[ . 1 . 2]" 1
53 1 5 THR MG 1 53 GLN HE22 . . 5.500 4.358 2.479 5.589 0.089 1 0 "[ . 1 . 2]" 1
54 1 5 THR MG 1 53 GLN QG . . 5.320 4.137 2.226 5.072 . 0 0 "[ . 1 . 2]" 1
55 1 5 THR MG 1 54 LEU H . . 5.500 4.703 4.056 5.296 . 0 0 "[ . 1 . 2]" 1
56 1 5 THR MG 1 86 ALA H . . 4.640 4.282 3.998 4.739 0.099 12 0 "[ . 1 . 2]" 1
57 1 5 THR MG 1 86 ALA MB . . 3.250 2.265 2.026 3.326 0.076 12 0 "[ . 1 . 2]" 1
58 1 6 ILE H 1 6 ILE HB . . 3.610 2.715 2.398 3.009 . 0 0 "[ . 1 . 2]" 1
59 1 6 ILE H 1 6 ILE MD . . 4.480 4.070 3.386 4.343 . 0 0 "[ . 1 . 2]" 1
60 1 6 ILE H 1 6 ILE HG12 . . 4.040 3.656 2.475 4.106 0.066 9 0 "[ . 1 . 2]" 1
61 1 6 ILE H 1 6 ILE HG13 . . 3.900 3.074 2.654 3.975 0.075 14 0 "[ . 1 . 2]" 1
62 1 6 ILE H 1 6 ILE MG . . 4.070 3.931 3.802 4.070 0.000 19 0 "[ . 1 . 2]" 1
63 1 6 ILE H 1 51 PHE HB3 . . 5.500 5.033 4.558 5.572 0.072 3 0 "[ . 1 . 2]" 1
64 1 6 ILE H 1 52 ILE HB . . 4.350 3.412 2.882 3.842 . 0 0 "[ . 1 . 2]" 1
65 1 6 ILE H 1 53 GLN HA . . 4.240 3.865 3.424 4.275 0.035 19 0 "[ . 1 . 2]" 1
66 1 6 ILE H 1 54 LEU H . . 5.020 4.934 4.072 5.102 0.082 2 0 "[ . 1 . 2]" 1
67 1 6 ILE H 1 54 LEU QD . . 4.600 3.581 2.682 4.458 . 0 0 "[ . 1 . 2]" 1
68 1 6 ILE HA 1 6 ILE HG13 . . 3.790 3.327 2.870 3.861 0.071 5 0 "[ . 1 . 2]" 1
69 1 6 ILE HA 1 6 ILE MG . . 3.100 2.416 2.236 2.584 . 0 0 "[ . 1 . 2]" 1
70 1 6 ILE HA 1 7 ILE H . . 3.140 2.325 2.105 2.543 . 0 0 "[ . 1 . 2]" 1
71 1 6 ILE HA 1 86 ALA H . . 3.560 2.537 2.100 3.432 . 0 0 "[ . 1 . 2]" 1
72 1 6 ILE HB 1 7 ILE H . . 4.440 3.759 3.306 4.070 . 0 0 "[ . 1 . 2]" 1
73 1 6 ILE HB 1 52 ILE H . . 5.160 3.971 3.375 4.451 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE HB 1 52 ILE HB . . 3.200 2.954 2.368 3.277 0.077 2 0 "[ . 1 . 2]" 1
75 1 6 ILE HB 1 64 LEU QD . . 4.900 4.460 3.917 4.951 0.051 13 0 "[ . 1 . 2]" 1
76 1 6 ILE MD 1 60 ALA H . . 5.500 4.569 4.295 4.911 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE MD 1 60 ALA HA . . 4.230 2.197 1.892 2.757 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE MD 1 64 LEU H . . 4.340 3.518 2.802 4.127 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE MD 1 64 LEU HA . . 3.760 3.604 2.686 3.873 0.113 7 0 "[ . 1 . 2]" 1
80 1 6 ILE MD 1 64 LEU HB2 . . 3.900 2.886 2.113 3.555 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE MD 1 64 LEU QD . . 4.040 2.536 1.959 3.374 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE MD 1 85 PHE HD2 . . 4.800 3.828 2.076 4.873 0.073 8 0 "[ . 1 . 2]" 1
83 1 6 ILE HG12 1 7 ILE H . . 4.870 4.539 4.246 4.952 0.082 6 0 "[ . 1 . 2]" 1
84 1 6 ILE HG12 1 60 ALA MB . . 3.940 2.908 2.357 3.392 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE HG13 1 6 ILE MG . . 3.330 3.037 2.216 3.233 . 0 0 "[ . 1 . 2]" 1
86 1 6 ILE HG13 1 64 LEU QD . . 4.940 4.518 3.817 5.342 0.402 13 0 "[ . 1 . 2]" 1
87 1 6 ILE MG 1 7 ILE H . . 3.450 2.171 1.860 2.592 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE MG 1 7 ILE HA . . 4.370 3.985 3.779 4.270 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE MG 1 60 ALA HA . . 5.150 4.964 4.511 5.234 0.084 2 0 "[ . 1 . 2]" 1
90 1 6 ILE MG 1 60 ALA MB . . 4.510 4.466 4.043 4.648 0.138 7 0 "[ . 1 . 2]" 1
91 1 6 ILE MG 1 64 LEU HA . . 4.600 4.128 3.421 4.588 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE MG 1 64 LEU HB2 . . 3.940 3.898 3.206 4.038 0.098 13 0 "[ . 1 . 2]" 1
93 1 6 ILE MG 1 64 LEU QD . . 3.600 2.168 1.875 2.600 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE MG 1 84 GLU H . . 3.980 3.464 3.157 3.801 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE MG 1 85 PHE HA . . 3.460 2.894 2.335 3.374 . 0 0 "[ . 1 . 2]" 1
96 1 6 ILE MG 1 85 PHE HB3 . . 5.500 5.179 4.508 5.572 0.072 14 0 "[ . 1 . 2]" 1
97 1 6 ILE MG 1 85 PHE HD2 . . 3.890 3.545 2.568 3.986 0.096 18 0 "[ . 1 . 2]" 1
98 1 6 ILE MG 1 86 ALA H . . 4.920 4.187 3.600 4.977 0.057 3 0 "[ . 1 . 2]" 1
99 1 7 ILE H 1 7 ILE HB . . 3.630 2.618 2.434 2.827 . 0 0 "[ . 1 . 2]" 1
100 1 7 ILE H 1 7 ILE MD . . 4.730 4.207 3.996 4.419 . 0 0 "[ . 1 . 2]" 1
101 1 7 ILE H 1 7 ILE HG12 . . 4.520 3.734 3.478 4.059 . 0 0 "[ . 1 . 2]" 1
102 1 7 ILE H 1 7 ILE HG13 . . 3.420 2.833 2.518 3.081 . 0 0 "[ . 1 . 2]" 1
103 1 7 ILE H 1 8 LEU H . . 4.520 4.190 3.775 4.469 . 0 0 "[ . 1 . 2]" 1
104 1 7 ILE H 1 64 LEU QD . . 5.340 4.232 3.716 5.120 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE H 1 84 GLU H . . 4.120 3.773 3.391 4.133 0.013 12 0 "[ . 1 . 2]" 1
106 1 7 ILE H 1 84 GLU HB3 . . 5.300 4.578 3.931 4.984 . 0 0 "[ . 1 . 2]" 1
107 1 7 ILE H 1 86 ALA H . . 4.390 3.708 3.248 4.312 . 0 0 "[ . 1 . 2]" 1
108 1 7 ILE H 1 86 ALA HA . . 5.500 4.794 4.165 5.538 0.038 3 0 "[ . 1 . 2]" 1
109 1 7 ILE H 1 86 ALA MB . . 4.570 3.794 3.010 4.532 . 0 0 "[ . 1 . 2]" 1
110 1 7 ILE HA 1 7 ILE MD . . 4.280 3.767 3.555 3.877 . 0 0 "[ . 1 . 2]" 1
111 1 7 ILE HA 1 7 ILE HG12 . . 3.720 2.429 2.231 2.540 . 0 0 "[ . 1 . 2]" 1
112 1 7 ILE HA 1 7 ILE HG13 . . 4.130 3.175 3.092 3.306 . 0 0 "[ . 1 . 2]" 1
113 1 7 ILE HA 1 7 ILE MG . . 3.560 2.435 2.342 2.542 . 0 0 "[ . 1 . 2]" 1
114 1 7 ILE HA 1 8 LEU H . . 2.860 2.126 2.005 2.250 . 0 0 "[ . 1 . 2]" 1
115 1 7 ILE HA 1 8 LEU QD . . 4.760 3.583 2.841 4.301 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE HA 1 51 PHE HA . . 3.420 2.970 2.546 3.278 . 0 0 "[ . 1 . 2]" 1
117 1 7 ILE HA 1 51 PHE HD2 . . 5.230 4.275 3.920 4.742 . 0 0 "[ . 1 . 2]" 1
118 1 7 ILE HA 1 86 ALA MB . . 5.500 3.980 3.124 4.828 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE HB 1 84 GLU HB3 . . 4.080 2.952 2.232 3.698 . 0 0 "[ . 1 . 2]" 1
120 1 7 ILE HB 1 84 GLU HG2 . . 4.980 4.816 4.487 5.023 0.043 3 0 "[ . 1 . 2]" 1
121 1 7 ILE HB 1 84 GLU HG3 . . 4.580 4.350 3.949 4.632 0.052 9 0 "[ . 1 . 2]" 1
122 1 7 ILE HB 1 86 ALA HA . . 4.580 4.410 4.149 4.646 0.066 14 0 "[ . 1 . 2]" 1
123 1 7 ILE MD 1 49 PHE QB . . 4.020 3.643 3.221 3.942 . 0 0 "[ . 1 . 2]" 1
124 1 7 ILE MD 1 49 PHE HD1 . . 4.700 4.433 3.786 4.791 0.091 5 0 "[ . 1 . 2]" 1
125 1 7 ILE MD 1 51 PHE HD2 . . 4.760 4.347 3.636 4.845 0.085 16 0 "[ . 1 . 2]" 1
126 1 7 ILE MD 1 51 PHE HE1 . . 4.780 3.939 2.963 4.856 0.076 13 0 "[ . 1 . 2]" 1
127 1 7 ILE MD 1 51 PHE HZ . . 5.030 2.927 2.333 3.585 . 0 0 "[ . 1 . 2]" 1
128 1 7 ILE MD 1 84 GLU HB3 . . 5.370 3.609 3.126 4.354 . 0 0 "[ . 1 . 2]" 1
129 1 7 ILE MD 1 86 ALA HA . . 3.850 2.196 2.024 2.465 . 0 0 "[ . 1 . 2]" 1
130 1 7 ILE MD 1 87 LYS H . . 5.430 3.504 2.641 4.149 . 0 0 "[ . 1 . 2]" 1
131 1 7 ILE HG12 1 49 PHE QB . . 4.810 4.451 4.028 4.729 . 0 0 "[ . 1 . 2]" 1
132 1 7 ILE HG12 1 51 PHE HE1 . . 5.050 4.534 3.622 5.041 . 0 0 "[ . 1 . 2]" 1
133 1 7 ILE HG12 1 51 PHE HZ . . 5.500 4.048 3.366 4.841 . 0 0 "[ . 1 . 2]" 1
134 1 7 ILE HG12 1 86 ALA H . . 4.620 4.666 4.422 4.697 0.077 19 0 "[ . 1 . 2]" 1
135 1 7 ILE HG12 1 86 ALA HA . . 4.910 3.405 3.050 4.028 . 0 0 "[ . 1 . 2]" 1
136 1 7 ILE HG12 1 86 ALA MB . . 2.920 2.639 2.219 3.011 0.091 12 0 "[ . 1 . 2]" 1
137 1 7 ILE HG13 1 51 PHE HE1 . . 5.500 5.265 4.205 5.575 0.075 13 0 "[ . 1 . 2]" 1
138 1 7 ILE HG13 1 86 ALA H . . 4.260 3.253 2.828 3.441 . 0 0 "[ . 1 . 2]" 1
139 1 7 ILE HG13 1 86 ALA HA . . 3.580 2.377 2.048 2.984 . 0 0 "[ . 1 . 2]" 1
140 1 7 ILE HG13 1 86 ALA MB . . 3.580 2.337 2.104 2.670 . 0 0 "[ . 1 . 2]" 1
141 1 7 ILE HG13 1 87 LYS H . . 5.180 4.515 4.060 5.208 0.028 3 0 "[ . 1 . 2]" 1
142 1 7 ILE MG 1 8 LEU H . . 3.780 2.965 2.395 3.483 . 0 0 "[ . 1 . 2]" 1
143 1 7 ILE MG 1 9 ARG QD . . 4.610 4.495 4.170 4.727 0.117 17 0 "[ . 1 . 2]" 1
144 1 7 ILE MG 1 9 ARG QG . . 3.810 3.014 2.629 3.445 . 0 0 "[ . 1 . 2]" 1
145 1 7 ILE MG 1 49 PHE QB . . 3.890 2.055 1.930 2.389 . 0 0 "[ . 1 . 2]" 1
146 1 7 ILE MG 1 49 PHE HD1 . . 4.700 3.759 3.116 4.361 . 0 0 "[ . 1 . 2]" 1
147 1 7 ILE MG 1 50 ALA H . . 4.030 3.312 2.828 3.979 . 0 0 "[ . 1 . 2]" 1
148 1 7 ILE MG 1 51 PHE HA . . 5.500 4.332 3.841 4.861 . 0 0 "[ . 1 . 2]" 1
149 1 7 ILE MG 1 84 GLU H . . 4.060 4.030 3.791 4.155 0.095 20 0 "[ . 1 . 2]" 1
150 1 7 ILE MG 1 84 GLU HB2 . . 3.490 2.857 2.632 3.190 . 0 0 "[ . 1 . 2]" 1
151 1 7 ILE MG 1 84 GLU HB3 . . 4.460 3.729 3.045 4.448 . 0 0 "[ . 1 . 2]" 1
152 1 7 ILE MG 1 84 GLU HG2 . . 4.570 4.631 4.422 4.880 0.310 8 0 "[ . 1 . 2]" 1
153 1 7 ILE MG 1 84 GLU HG3 . . 4.820 3.903 3.521 4.288 . 0 0 "[ . 1 . 2]" 1
154 1 8 LEU H 1 8 LEU HB2 . . 3.420 2.598 2.308 3.002 . 0 0 "[ . 1 . 2]" 1
155 1 8 LEU H 1 8 LEU HB3 . . 3.660 3.656 3.505 3.743 0.083 9 0 "[ . 1 . 2]" 1
156 1 8 LEU H 1 8 LEU QD . . 3.770 2.537 1.959 2.960 . 0 0 "[ . 1 . 2]" 1
157 1 8 LEU H 1 49 PHE HA . . 4.720 4.496 3.952 4.790 0.070 15 0 "[ . 1 . 2]" 1
158 1 8 LEU H 1 49 PHE QB . . 5.500 4.244 3.737 4.764 . 0 0 "[ . 1 . 2]" 1
159 1 8 LEU H 1 50 ALA H . . 3.830 2.818 2.464 3.066 . 0 0 "[ . 1 . 2]" 1
160 1 8 LEU H 1 51 PHE HA . . 4.410 3.900 3.437 4.418 0.008 3 0 "[ . 1 . 2]" 1
161 1 8 LEU H 1 51 PHE HD2 . . 5.500 5.071 4.585 5.543 0.043 3 0 "[ . 1 . 2]" 1
162 1 8 LEU HA 1 8 LEU QD . . 3.650 2.378 2.039 2.681 . 0 0 "[ . 1 . 2]" 1
163 1 8 LEU HA 1 9 ARG H . . 2.890 2.250 2.041 2.457 . 0 0 "[ . 1 . 2]" 1
164 1 8 LEU HA 1 81 ILE HA . . 5.230 5.088 4.568 5.315 0.085 18 0 "[ . 1 . 2]" 1
165 1 8 LEU HA 1 81 ILE MG . . 3.790 2.909 2.336 3.369 . 0 0 "[ . 1 . 2]" 1
166 1 8 LEU HA 1 84 GLU H . . 4.720 3.769 3.246 4.412 . 0 0 "[ . 1 . 2]" 1
167 1 8 LEU HB2 1 11 LEU QD . . 2.800 2.370 1.758 2.860 0.060 20 0 "[ . 1 . 2]" 1
168 1 8 LEU HB2 1 11 LEU HG . . 3.630 3.683 3.123 4.045 0.415 16 0 "[ . 1 . 2]" 1
169 1 8 LEU HB2 1 50 ALA H . . 4.020 2.779 2.273 3.250 . 0 0 "[ . 1 . 2]" 1
170 1 8 LEU HB2 1 50 ALA MB . . 3.460 2.323 2.036 3.549 0.089 9 0 "[ . 1 . 2]" 1
171 1 8 LEU HB2 1 81 ILE MG . . 3.540 3.371 3.168 3.594 0.054 13 0 "[ . 1 . 2]" 1
172 1 8 LEU HB3 1 9 ARG H . . 4.150 3.912 3.632 4.206 0.056 20 0 "[ . 1 . 2]" 1
173 1 8 LEU HB3 1 11 LEU QD . . 2.920 2.274 1.854 2.613 . 0 0 "[ . 1 . 2]" 1
174 1 8 LEU HB3 1 81 ILE MG . . 3.180 2.054 1.949 2.141 . 0 0 "[ . 1 . 2]" 1
175 1 8 LEU QD 1 9 ARG H . . 4.900 4.078 3.609 4.430 . 0 0 "[ . 1 . 2]" 1
176 1 8 LEU QD 1 52 ILE H . . 4.210 3.498 2.592 4.157 . 0 0 "[ . 1 . 2]" 1
177 1 8 LEU QD 1 52 ILE HG12 . . 3.450 2.303 1.947 2.892 . 0 0 "[ . 1 . 2]" 1
178 1 8 LEU QD 1 81 ILE MG . . 2.860 2.264 1.898 2.929 0.069 9 0 "[ . 1 . 2]" 1
179 1 9 ARG H 1 9 ARG HB2 . . 3.620 2.173 2.063 2.287 . 0 0 "[ . 1 . 2]" 1
180 1 9 ARG H 1 9 ARG HB3 . . 3.970 3.055 2.939 3.172 . 0 0 "[ . 1 . 2]" 1
181 1 9 ARG H 1 9 ARG QD . . 4.870 4.554 4.297 4.671 . 0 0 "[ . 1 . 2]" 1
182 1 9 ARG H 1 9 ARG QG . . 3.930 3.702 3.599 3.766 . 0 0 "[ . 1 . 2]" 1
183 1 9 ARG H 1 10 ASN H . . 4.570 4.589 4.533 4.628 0.058 5 0 "[ . 1 . 2]" 1
184 1 9 ARG H 1 49 PHE HA . . 5.500 4.747 4.301 5.284 . 0 0 "[ . 1 . 2]" 1
185 1 9 ARG H 1 50 ALA H . . 5.150 4.875 4.637 5.237 0.087 9 0 "[ . 1 . 2]" 1
186 1 9 ARG H 1 81 ILE HA . . 4.890 4.845 4.070 4.976 0.086 3 0 "[ . 1 . 2]" 1
187 1 9 ARG H 1 81 ILE MG . . 4.040 3.712 2.995 4.097 0.057 8 0 "[ . 1 . 2]" 1
188 1 9 ARG H 1 82 ASN H . . 4.000 3.267 2.875 3.594 . 0 0 "[ . 1 . 2]" 1
189 1 9 ARG H 1 82 ASN HB2 . . 4.100 3.545 2.343 4.168 0.068 15 0 "[ . 1 . 2]" 1
190 1 9 ARG H 1 82 ASN HB3 . . 4.750 3.209 1.936 4.815 0.065 16 0 "[ . 1 . 2]" 1
191 1 9 ARG HA 1 9 ARG QD . . 4.890 3.265 2.304 4.047 . 0 0 "[ . 1 . 2]" 1
192 1 9 ARG HA 1 9 ARG QG . . 3.520 2.275 2.075 2.474 . 0 0 "[ . 1 . 2]" 1
193 1 9 ARG HA 1 10 ASN H . . 3.130 2.568 2.452 2.780 . 0 0 "[ . 1 . 2]" 1
194 1 9 ARG HA 1 11 LEU H . . 4.160 3.431 3.128 4.070 . 0 0 "[ . 1 . 2]" 1
195 1 9 ARG HA 1 49 PHE HA . . 3.560 2.712 2.195 3.499 . 0 0 "[ . 1 . 2]" 1
196 1 9 ARG HA 1 49 PHE QB . . 3.740 2.536 2.153 2.905 . 0 0 "[ . 1 . 2]" 1
197 1 9 ARG HB2 1 9 ARG QD . . 3.630 3.032 2.369 3.378 . 0 0 "[ . 1 . 2]" 1
198 1 9 ARG HB2 1 10 ASN H . . 4.090 3.969 3.787 4.127 0.037 3 0 "[ . 1 . 2]" 1
199 1 9 ARG HB2 1 82 ASN H . . 4.590 3.973 3.099 4.553 . 0 0 "[ . 1 . 2]" 1
200 1 9 ARG HB2 1 82 ASN HB2 . . 3.460 2.975 2.018 3.512 0.052 10 0 "[ . 1 . 2]" 1
201 1 9 ARG HB2 1 82 ASN HB3 . . 3.550 2.577 2.115 3.618 0.068 16 0 "[ . 1 . 2]" 1
202 1 9 ARG HB2 1 82 ASN HD21 . . 5.500 3.997 2.854 4.443 . 0 0 "[ . 1 . 2]" 1
203 1 9 ARG HB2 1 82 ASN HD22 . . 5.500 5.219 4.128 5.577 0.077 7 0 "[ . 1 . 2]" 1
204 1 9 ARG HB3 1 9 ARG QD . . 3.580 2.197 2.104 2.480 . 0 0 "[ . 1 . 2]" 1
205 1 9 ARG HB3 1 10 ASN H . . 3.410 2.786 2.410 3.039 . 0 0 "[ . 1 . 2]" 1
206 1 9 ARG HB3 1 82 ASN H . . 3.880 3.270 2.549 3.768 . 0 0 "[ . 1 . 2]" 1
207 1 9 ARG HB3 1 82 ASN HB2 . . 3.830 2.180 2.036 2.455 . 0 0 "[ . 1 . 2]" 1
208 1 9 ARG HB3 1 82 ASN HB3 . . 4.030 2.737 2.147 3.824 . 0 0 "[ . 1 . 2]" 1
209 1 9 ARG HB3 1 82 ASN HD21 . . 5.500 3.122 2.325 3.682 . 0 0 "[ . 1 . 2]" 1
210 1 9 ARG HB3 1 82 ASN HD22 . . 5.390 4.490 3.208 5.129 . 0 0 "[ . 1 . 2]" 1
211 1 9 ARG QD 1 10 ASN H . . 4.600 2.481 1.723 3.637 . 0 0 "[ . 1 . 2]" 1
212 1 9 ARG QD 1 10 ASN QD . . 4.770 4.173 3.402 4.526 . 0 0 "[ . 1 . 2]" 1
213 1 9 ARG QD 1 82 ASN HB2 . . 4.790 3.656 3.143 4.550 . 0 0 "[ . 1 . 2]" 1
214 1 9 ARG QD 1 82 ASN HD21 . . 5.500 3.348 2.675 4.271 . 0 0 "[ . 1 . 2]" 1
215 1 9 ARG QD 1 82 ASN HD22 . . 5.500 4.504 2.940 5.392 . 0 0 "[ . 1 . 2]" 1
216 1 9 ARG QG 1 10 ASN H . . 4.310 2.812 1.820 3.507 . 0 0 "[ . 1 . 2]" 1
217 1 9 ARG QG 1 49 PHE QB . . 3.880 2.944 2.400 3.532 . 0 0 "[ . 1 . 2]" 1
218 1 9 ARG QG 1 82 ASN HD21 . . 5.500 4.158 2.904 4.864 . 0 0 "[ . 1 . 2]" 1
219 1 10 ASN H 1 10 ASN HA . . 2.860 2.237 2.181 2.273 . 0 0 "[ . 1 . 2]" 1
220 1 10 ASN H 1 10 ASN HB2 . . 4.000 3.282 2.792 3.717 . 0 0 "[ . 1 . 2]" 1
221 1 10 ASN H 1 10 ASN HB3 . . 4.160 4.059 3.723 4.183 0.023 11 0 "[ . 1 . 2]" 1
222 1 10 ASN H 1 10 ASN QD . . 4.950 4.545 4.281 4.674 . 0 0 "[ . 1 . 2]" 1
223 1 10 ASN H 1 11 LEU H . . 3.390 2.724 2.507 3.062 . 0 0 "[ . 1 . 2]" 1
224 1 10 ASN H 1 11 LEU HA . . 5.500 5.274 5.065 5.557 0.057 18 0 "[ . 1 . 2]" 1
225 1 10 ASN H 1 49 PHE HA . . 4.790 4.337 3.968 4.755 . 0 0 "[ . 1 . 2]" 1
226 1 10 ASN H 1 49 PHE QB . . 5.030 4.197 3.567 4.693 . 0 0 "[ . 1 . 2]" 1
227 1 10 ASN H 1 81 ILE MD . . 5.500 5.310 4.828 5.584 0.084 3 0 "[ . 1 . 2]" 1
228 1 10 ASN H 1 82 ASN H . . 5.500 4.610 4.154 4.988 . 0 0 "[ . 1 . 2]" 1
229 1 10 ASN H 1 82 ASN HD21 . . 5.500 5.300 4.398 5.990 0.490 16 0 "[ . 1 . 2]" 1
230 1 10 ASN HA 1 11 LEU H . . 3.540 3.037 2.710 3.335 . 0 0 "[ . 1 . 2]" 1
231 1 10 ASN HA 1 82 ASN H . . 5.500 5.120 4.563 5.566 0.066 18 0 "[ . 1 . 2]" 1
232 1 10 ASN HB2 1 11 LEU H . . 5.110 4.211 3.673 4.648 . 0 0 "[ . 1 . 2]" 1
233 1 10 ASN HB2 1 81 ILE HA . . 4.340 2.784 2.127 3.497 . 0 0 "[ . 1 . 2]" 1
234 1 10 ASN HB2 1 81 ILE MD . . 4.430 3.762 2.892 4.505 0.075 10 0 "[ . 1 . 2]" 1
235 1 10 ASN HB2 1 81 ILE MG . . 5.300 4.207 3.196 4.631 . 0 0 "[ . 1 . 2]" 1
236 1 10 ASN HB2 1 82 ASN H . . 4.210 2.506 2.291 2.943 . 0 0 "[ . 1 . 2]" 1
237 1 10 ASN HB2 1 82 ASN HD21 . . 5.500 4.415 3.871 5.573 0.073 4 0 "[ . 1 . 2]" 1
238 1 10 ASN HB2 1 82 ASN HD22 . . 5.500 5.458 4.403 5.587 0.087 20 0 "[ . 1 . 2]" 1
239 1 10 ASN HB3 1 10 ASN QD . . 3.360 2.734 2.156 3.021 . 0 0 "[ . 1 . 2]" 1
240 1 10 ASN HB3 1 80 THR H . . 5.500 3.933 3.452 4.608 . 0 0 "[ . 1 . 2]" 1
241 1 10 ASN HB3 1 81 ILE HA . . 3.710 2.946 2.041 3.732 0.022 4 0 "[ . 1 . 2]" 1
242 1 10 ASN HB3 1 81 ILE MD . . 4.310 3.087 2.614 3.633 . 0 0 "[ . 1 . 2]" 1
243 1 10 ASN HB3 1 81 ILE MG . . 5.130 4.526 3.669 5.038 . 0 0 "[ . 1 . 2]" 1
244 1 10 ASN HB3 1 82 ASN H . . 4.420 3.700 2.270 4.497 0.077 18 0 "[ . 1 . 2]" 1
245 1 10 ASN QD 1 79 LYS HA . . 5.500 4.182 3.345 4.802 . 0 0 "[ . 1 . 2]" 1
246 1 10 ASN QD 1 79 LYS HB3 . . 4.990 4.291 3.572 5.318 0.328 15 0 "[ . 1 . 2]" 1
247 1 10 ASN QD 1 80 THR H . . 4.540 3.349 2.558 4.098 . 0 0 "[ . 1 . 2]" 1
248 1 10 ASN QD 1 80 THR HB . . 4.620 3.384 2.549 4.313 . 0 0 "[ . 1 . 2]" 1
249 1 10 ASN QD 1 80 THR MG . . 5.500 3.963 2.268 4.584 . 0 0 "[ . 1 . 2]" 1
250 1 10 ASN QD 1 81 ILE HA . . 4.630 3.875 2.788 4.212 . 0 0 "[ . 1 . 2]" 1
251 1 10 ASN QD 1 81 ILE MD . . 5.500 4.698 4.089 5.050 . 0 0 "[ . 1 . 2]" 1
252 1 10 ASN QD 1 81 ILE MG . . 5.500 5.240 4.196 5.398 . 0 0 "[ . 1 . 2]" 1
253 1 10 ASN QD 1 82 ASN H . . 4.720 3.451 2.474 4.174 . 0 0 "[ . 1 . 2]" 1
254 1 10 ASN QD 1 82 ASN HB2 . . 5.500 3.142 2.393 4.186 . 0 0 "[ . 1 . 2]" 1
255 1 11 LEU H 1 11 LEU HB2 . . 3.440 2.103 1.897 2.453 . 0 0 "[ . 1 . 2]" 1
256 1 11 LEU H 1 11 LEU HB3 . . 3.840 3.120 2.716 3.652 . 0 0 "[ . 1 . 2]" 1
257 1 11 LEU H 1 11 LEU QD . . 4.360 3.087 2.396 3.551 . 0 0 "[ . 1 . 2]" 1
258 1 11 LEU H 1 12 ASN H . . 4.870 4.185 2.978 4.624 . 0 0 "[ . 1 . 2]" 1
259 1 11 LEU H 1 48 GLY H . . 5.410 5.150 4.589 5.495 0.085 16 0 "[ . 1 . 2]" 1
260 1 11 LEU H 1 48 GLY HA2 . . 4.000 3.411 2.725 4.070 0.070 18 0 "[ . 1 . 2]" 1
261 1 11 LEU H 1 49 PHE H . . 5.500 4.701 4.182 5.105 . 0 0 "[ . 1 . 2]" 1
262 1 11 LEU H 1 49 PHE HA . . 4.930 3.385 3.036 3.731 . 0 0 "[ . 1 . 2]" 1
263 1 11 LEU H 1 49 PHE QB . . 5.460 4.469 3.821 4.971 . 0 0 "[ . 1 . 2]" 1
264 1 11 LEU H 1 50 ALA H . . 5.500 4.936 4.439 5.563 0.063 15 0 "[ . 1 . 2]" 1
265 1 11 LEU H 1 81 ILE MD . . 5.130 4.070 3.537 4.571 . 0 0 "[ . 1 . 2]" 1
266 1 11 LEU H 1 82 ASN H . . 5.450 5.287 4.230 5.539 0.089 16 0 "[ . 1 . 2]" 1
267 1 11 LEU HA 1 11 LEU QD . . 3.220 2.022 1.918 2.222 . 0 0 "[ . 1 . 2]" 1
268 1 11 LEU HA 1 12 ASN H . . 3.080 2.259 2.113 2.884 . 0 0 "[ . 1 . 2]" 1
269 1 11 LEU HA 1 12 ASN QB . . 4.850 4.095 3.811 4.646 . 0 0 "[ . 1 . 2]" 1
270 1 11 LEU HA 1 79 LYS HB2 . . 4.720 4.467 3.691 4.796 0.076 14 0 "[ . 1 . 2]" 1
271 1 11 LEU HA 1 79 LYS HB3 . . 5.410 4.798 4.389 5.109 . 0 0 "[ . 1 . 2]" 1
272 1 11 LEU HA 1 81 ILE MD . . 3.370 2.595 2.104 3.101 . 0 0 "[ . 1 . 2]" 1
273 1 11 LEU HA 1 81 ILE MG . . 4.870 4.236 3.359 4.957 0.087 13 0 "[ . 1 . 2]" 1
274 1 11 LEU HB2 1 48 GLY HA2 . . 3.710 3.524 2.724 3.788 0.078 9 0 "[ . 1 . 2]" 1
275 1 11 LEU HB2 1 48 GLY HA3 . . 4.680 4.605 4.019 4.755 0.075 20 0 "[ . 1 . 2]" 1
276 1 11 LEU HB3 1 12 ASN H . . 4.220 3.934 2.177 4.303 0.083 17 0 "[ . 1 . 2]" 1
277 1 11 LEU HB3 1 46 ASN HB2 . . 5.230 3.992 3.570 4.719 . 0 0 "[ . 1 . 2]" 1
278 1 11 LEU HB3 1 46 ASN HB3 . . 5.420 3.258 2.795 3.723 . 0 0 "[ . 1 . 2]" 1
279 1 11 LEU HB3 1 46 ASN HD21 . . 5.450 3.826 3.166 4.507 . 0 0 "[ . 1 . 2]" 1
280 1 11 LEU HB3 1 48 GLY HA2 . . 4.030 3.053 2.238 3.761 . 0 0 "[ . 1 . 2]" 1
281 1 11 LEU HB3 1 48 GLY HA3 . . 5.060 4.530 3.751 5.142 0.082 16 0 "[ . 1 . 2]" 1
282 1 11 LEU QD 1 12 ASN H . . 4.310 3.150 2.374 4.232 . 0 0 "[ . 1 . 2]" 1
283 1 11 LEU QD 1 46 ASN HD21 . . 5.500 2.795 1.918 4.697 . 0 0 "[ . 1 . 2]" 1
284 1 11 LEU QD 1 49 PHE HA . . 5.470 3.380 1.856 4.209 . 0 0 "[ . 1 . 2]" 1
285 1 11 LEU QD 1 50 ALA H . . 4.560 3.076 2.056 3.662 . 0 0 "[ . 1 . 2]" 1
286 1 11 LEU HG 1 12 ASN H . . 5.500 5.180 4.034 5.598 0.098 4 0 "[ . 1 . 2]" 1
287 1 11 LEU HG 1 46 ASN HD21 . . 5.500 4.800 4.508 5.043 . 0 0 "[ . 1 . 2]" 1
288 1 11 LEU HG 1 46 ASN HD22 . . 5.500 5.525 5.345 5.578 0.078 4 0 "[ . 1 . 2]" 1
289 1 11 LEU HG 1 49 PHE HA . . 4.130 3.980 3.268 4.232 0.102 8 0 "[ . 1 . 2]" 1
290 1 11 LEU HG 1 50 ALA H . . 5.200 3.580 2.726 5.045 . 0 0 "[ . 1 . 2]" 1
291 1 11 LEU HG 1 81 ILE MD . . 4.530 4.380 3.432 4.639 0.109 18 0 "[ . 1 . 2]" 1
292 1 12 ASN H 1 12 ASN QB . . 3.640 2.312 2.097 2.703 . 0 0 "[ . 1 . 2]" 1
293 1 12 ASN H 1 12 ASN QD . . 5.500 4.508 3.855 5.085 . 0 0 "[ . 1 . 2]" 1
294 1 12 ASN H 1 13 PRO HD3 . . 4.930 4.966 4.435 5.022 0.092 3 0 "[ . 1 . 2]" 1
295 1 12 ASN H 1 14 HIS H . . 5.500 5.365 4.837 5.588 0.088 4 0 "[ . 1 . 2]" 1
296 1 12 ASN H 1 15 SER H . . 5.160 4.513 3.779 5.246 0.086 9 0 "[ . 1 . 2]" 1
297 1 12 ASN H 1 79 LYS HB2 . . 5.400 3.638 2.954 5.074 . 0 0 "[ . 1 . 2]" 1
298 1 12 ASN H 1 79 LYS HB3 . . 5.130 4.185 3.654 5.430 0.300 15 0 "[ . 1 . 2]" 1
299 1 12 ASN H 1 79 LYS QG . . 4.390 3.463 1.820 4.354 . 0 0 "[ . 1 . 2]" 1
300 1 12 ASN H 1 81 ILE MD . . 4.390 3.576 2.913 4.489 0.099 15 0 "[ . 1 . 2]" 1
301 1 12 ASN HA 1 13 PRO HD2 . . 3.040 2.361 2.118 2.709 . 0 0 "[ . 1 . 2]" 1
302 1 12 ASN HA 1 13 PRO HD3 . . 3.160 2.492 2.320 2.906 . 0 0 "[ . 1 . 2]" 1
303 1 12 ASN HA 1 79 LYS QG . . 3.870 3.149 2.379 3.852 . 0 0 "[ . 1 . 2]" 1
304 1 12 ASN QB 1 13 PRO HD2 . . 4.660 3.266 2.170 3.616 . 0 0 "[ . 1 . 2]" 1
305 1 12 ASN QB 1 14 HIS H . . 4.500 3.121 2.420 3.497 . 0 0 "[ . 1 . 2]" 1
306 1 12 ASN QB 1 15 SER H . . 4.320 2.765 2.301 3.427 . 0 0 "[ . 1 . 2]" 1
307 1 12 ASN QB 1 77 ASP HB3 . . 4.330 3.242 2.152 4.834 0.504 15 1 "[ . 1 + 2]" 1
308 1 12 ASN QB 1 79 LYS HB2 . . 5.290 3.096 2.449 4.780 . 0 0 "[ . 1 . 2]" 1
309 1 12 ASN QB 1 79 LYS HB3 . . 5.120 3.930 3.489 4.392 . 0 0 "[ . 1 . 2]" 1
310 1 12 ASN QB 1 79 LYS QG . . 3.830 2.166 1.960 2.696 . 0 0 "[ . 1 . 2]" 1
311 1 12 ASN QD 1 13 PRO HG2 . . 5.500 3.889 2.854 5.314 . 0 0 "[ . 1 . 2]" 1
312 1 12 ASN QD 1 14 HIS H . . 5.500 2.790 2.068 3.707 . 0 0 "[ . 1 . 2]" 1
313 1 12 ASN QD 1 14 HIS HB3 . . 5.500 4.150 3.424 5.359 . 0 0 "[ . 1 . 2]" 1
314 1 12 ASN QD 1 15 SER H . . 5.500 3.270 2.599 4.656 . 0 0 "[ . 1 . 2]" 1
315 1 12 ASN QD 1 76 ILE MG . . 5.500 3.787 1.817 4.901 . 0 0 "[ . 1 . 2]" 1
316 1 12 ASN QD 1 77 ASP HA . . 5.500 4.570 3.833 4.940 . 0 0 "[ . 1 . 2]" 1
317 1 12 ASN QD 1 77 ASP HB2 . . 4.080 2.786 1.678 3.512 . 0 0 "[ . 1 . 2]" 1
318 1 12 ASN QD 1 77 ASP HB3 . . 4.470 2.680 2.067 3.277 . 0 0 "[ . 1 . 2]" 1
319 1 12 ASN QD 1 79 LYS QG . . 5.150 3.827 1.771 4.480 . 0 0 "[ . 1 . 2]" 1
320 1 13 PRO HA 1 46 ASN H . . 4.130 2.471 1.975 2.866 . 0 0 "[ . 1 . 2]" 1
321 1 13 PRO HA 1 46 ASN HB2 . . 4.390 2.065 1.928 2.422 . 0 0 "[ . 1 . 2]" 1
322 1 13 PRO HA 1 46 ASN HB3 . . 4.100 3.750 3.563 4.158 0.058 19 0 "[ . 1 . 2]" 1
323 1 13 PRO HA 1 46 ASN HD21 . . 4.010 3.370 2.855 3.824 . 0 0 "[ . 1 . 2]" 1
324 1 13 PRO HA 1 46 ASN HD22 . . 4.440 4.444 3.838 4.522 0.082 11 0 "[ . 1 . 2]" 1
325 1 13 PRO HB2 1 14 HIS H . . 4.090 3.597 3.334 3.823 . 0 0 "[ . 1 . 2]" 1
326 1 13 PRO HB2 1 14 HIS HA . . 5.030 4.449 4.110 4.699 . 0 0 "[ . 1 . 2]" 1
327 1 13 PRO HB2 1 14 HIS HD2 . . 5.090 2.904 2.094 4.548 . 0 0 "[ . 1 . 2]" 1
328 1 13 PRO HB2 1 15 SER H . . 5.500 5.497 5.354 5.575 0.075 4 0 "[ . 1 . 2]" 1
329 1 13 PRO HB2 1 45 LEU MD1 . . 3.960 2.628 2.243 3.340 . 0 0 "[ . 1 . 2]" 1
330 1 13 PRO HB2 1 45 LEU MD2 . . 4.120 2.498 2.111 3.210 . 0 0 "[ . 1 . 2]" 1
331 1 13 PRO HB3 1 45 LEU HB2 . . 4.560 3.949 3.191 4.616 0.056 19 0 "[ . 1 . 2]" 1
332 1 13 PRO HB3 1 45 LEU HB3 . . 3.460 2.689 2.214 3.505 0.045 19 0 "[ . 1 . 2]" 1
333 1 13 PRO HB3 1 45 LEU MD1 . . 3.810 3.268 2.633 3.884 0.074 3 0 "[ . 1 . 2]" 1
334 1 13 PRO HB3 1 45 LEU MD2 . . 4.200 3.757 3.180 4.275 0.075 13 0 "[ . 1 . 2]" 1
335 1 13 PRO HB3 1 46 ASN H . . 4.610 3.743 3.307 4.593 . 0 0 "[ . 1 . 2]" 1
336 1 13 PRO HD2 1 14 HIS H . . 4.740 3.131 2.529 3.451 . 0 0 "[ . 1 . 2]" 1
337 1 13 PRO HD2 1 79 LYS QG . . 5.040 4.351 3.663 4.993 . 0 0 "[ . 1 . 2]" 1
338 1 13 PRO HD3 1 14 HIS H . . 4.130 4.085 3.740 4.205 0.075 9 0 "[ . 1 . 2]" 1
339 1 13 PRO HD3 1 14 HIS HD2 . . 5.500 5.266 4.756 5.574 0.074 13 0 "[ . 1 . 2]" 1
340 1 13 PRO HG2 1 14 HIS H . . 4.310 2.837 2.280 3.276 . 0 0 "[ . 1 . 2]" 1
341 1 13 PRO HG2 1 14 HIS HD2 . . 4.850 2.546 2.102 3.178 . 0 0 "[ . 1 . 2]" 1
342 1 13 PRO HG2 1 45 LEU MD1 . . 5.500 4.255 3.763 4.873 . 0 0 "[ . 1 . 2]" 1
343 1 14 HIS H 1 14 HIS HB2 . . 3.370 2.449 2.255 2.592 . 0 0 "[ . 1 . 2]" 1
344 1 14 HIS H 1 14 HIS HB3 . . 3.670 3.647 3.538 3.748 0.078 1 0 "[ . 1 . 2]" 1
345 1 14 HIS H 1 14 HIS HD2 . . 4.110 3.058 2.562 3.625 . 0 0 "[ . 1 . 2]" 1
346 1 14 HIS H 1 15 SER H . . 3.270 2.470 2.161 2.759 . 0 0 "[ . 1 . 2]" 1
347 1 14 HIS H 1 45 LEU MD2 . . 5.190 4.604 4.269 5.104 . 0 0 "[ . 1 . 2]" 1
348 1 14 HIS HB2 1 15 SER H . . 4.240 3.752 3.320 4.190 . 0 0 "[ . 1 . 2]" 1
349 1 14 HIS HB2 1 45 LEU MD2 . . 5.500 5.214 4.757 5.595 0.095 16 0 "[ . 1 . 2]" 1
350 1 14 HIS HB3 1 15 SER H . . 4.820 4.302 3.845 4.520 . 0 0 "[ . 1 . 2]" 1
351 1 14 HIS HB3 1 45 LEU MD2 . . 5.500 5.165 4.618 5.577 0.077 17 0 "[ . 1 . 2]" 1
352 1 14 HIS HD2 1 45 LEU MD1 . . 5.500 4.213 2.846 5.549 0.049 16 0 "[ . 1 . 2]" 1
353 1 14 HIS HD2 1 45 LEU MD2 . . 5.030 3.400 2.268 5.123 0.093 6 0 "[ . 1 . 2]" 1
354 1 15 SER H 1 15 SER HB2 . . 3.280 2.801 2.049 3.597 0.317 17 0 "[ . 1 . 2]" 1
355 1 15 SER H 1 15 SER HB3 . . 3.540 3.005 2.530 3.601 0.061 7 0 "[ . 1 . 2]" 1
356 1 15 SER H 1 16 THR MG . . 5.500 5.416 4.946 5.611 0.111 8 0 "[ . 1 . 2]" 1
357 1 15 SER H 1 46 ASN HD21 . . 3.700 3.097 2.583 3.707 0.007 17 0 "[ . 1 . 2]" 1
358 1 15 SER H 1 46 ASN HD22 . . 3.900 3.488 2.982 3.943 0.043 4 0 "[ . 1 . 2]" 1
359 1 15 SER H 1 76 ILE MG . . 5.110 4.684 3.874 5.223 0.113 19 0 "[ . 1 . 2]" 1
360 1 15 SER HA 1 16 THR H . . 2.850 2.335 2.191 2.669 . 0 0 "[ . 1 . 2]" 1
361 1 15 SER HA 1 16 THR MG . . 4.550 3.547 3.073 3.989 . 0 0 "[ . 1 . 2]" 1
362 1 15 SER HA 1 20 ILE MD . . 4.700 4.287 3.877 4.761 0.061 12 0 "[ . 1 . 2]" 1
363 1 15 SER HB2 1 16 THR H . . 4.090 3.408 2.056 4.162 0.072 12 0 "[ . 1 . 2]" 1
364 1 15 SER HB2 1 20 ILE MD . . 4.700 2.650 2.114 3.577 . 0 0 "[ . 1 . 2]" 1
365 1 15 SER HB2 1 20 ILE HG13 . . 5.500 4.235 2.563 5.498 . 0 0 "[ . 1 . 2]" 1
366 1 15 SER HB2 1 46 ASN HD21 . . 4.430 3.842 3.006 4.751 0.321 19 0 "[ . 1 . 2]" 1
367 1 15 SER HB2 1 46 ASN HD22 . . 4.570 4.139 3.269 4.779 0.209 9 0 "[ . 1 . 2]" 1
368 1 15 SER HB3 1 16 THR H . . 3.660 3.297 2.223 4.155 0.495 3 0 "[ . 1 . 2]" 1
369 1 15 SER HB3 1 20 ILE MD . . 4.440 2.639 1.985 3.547 . 0 0 "[ . 1 . 2]" 1
370 1 15 SER HB3 1 20 ILE HG13 . . 4.660 4.165 2.783 5.514 0.854 14 2 "[ . 1 +. -2]" 1
371 1 15 SER HB3 1 46 ASN HD21 . . 4.680 4.089 2.630 4.759 0.079 18 0 "[ . 1 . 2]" 1
372 1 15 SER HB3 1 46 ASN HD22 . . 5.010 4.281 2.750 4.965 . 0 0 "[ . 1 . 2]" 1
373 1 16 THR H 1 16 THR MG . . 3.330 2.556 1.712 3.145 . 0 0 "[ . 1 . 2]" 1
374 1 16 THR H 1 17 MET H . . 5.290 4.296 3.950 4.581 . 0 0 "[ . 1 . 2]" 1
375 1 16 THR H 1 19 SER H . . 4.490 4.424 3.783 4.577 0.087 18 0 "[ . 1 . 2]" 1
376 1 16 THR H 1 19 SER HB2 . . 4.060 3.776 2.941 4.129 0.069 3 0 "[ . 1 . 2]" 1
377 1 16 THR H 1 20 ILE HG13 . . 5.500 4.005 3.125 5.565 0.065 4 0 "[ . 1 . 2]" 1
378 1 16 THR H 1 46 ASN HD22 . . 5.500 5.273 4.244 5.589 0.089 19 0 "[ . 1 . 2]" 1
379 1 16 THR H 1 76 ILE MD . . 4.910 3.934 2.922 4.964 0.054 18 0 "[ . 1 . 2]" 1
380 1 16 THR H 1 76 ILE MG . . 4.120 3.415 2.665 4.219 0.099 13 0 "[ . 1 . 2]" 1
381 1 16 THR HA 1 16 THR MG . . 3.310 2.613 2.192 3.271 . 0 0 "[ . 1 . 2]" 1
382 1 16 THR HA 1 17 MET H . . 3.390 2.153 2.033 2.331 . 0 0 "[ . 1 . 2]" 1
383 1 16 THR HA 1 17 MET HA . . 4.520 4.387 4.231 4.551 0.031 17 0 "[ . 1 . 2]" 1
384 1 16 THR HA 1 19 SER H . . 4.950 4.649 4.207 5.012 0.062 6 0 "[ . 1 . 2]" 1
385 1 16 THR HA 1 20 ILE H . . 5.500 5.487 5.122 5.594 0.094 12 0 "[ . 1 . 2]" 1
386 1 16 THR MG 1 17 MET H . . 4.340 4.095 3.755 4.444 0.104 18 0 "[ . 1 . 2]" 1
387 1 16 THR MG 1 18 ASP H . . 4.840 4.313 3.533 4.691 . 0 0 "[ . 1 . 2]" 1
388 1 16 THR MG 1 18 ASP HB2 . . 5.500 4.985 4.231 5.586 0.086 15 0 "[ . 1 . 2]" 1
389 1 16 THR MG 1 18 ASP HB3 . . 5.500 4.311 2.758 5.583 0.083 7 0 "[ . 1 . 2]" 1
390 1 16 THR MG 1 19 SER H . . 5.010 3.974 2.470 4.905 . 0 0 "[ . 1 . 2]" 1
391 1 17 MET H 1 17 MET HB2 . . 3.600 3.442 2.250 3.674 0.074 18 0 "[ . 1 . 2]" 1
392 1 17 MET H 1 17 MET HB3 . . 4.040 2.535 2.361 2.708 . 0 0 "[ . 1 . 2]" 1
393 1 17 MET H 1 17 MET QG . . 4.930 2.662 2.028 4.000 . 0 0 "[ . 1 . 2]" 1
394 1 17 MET H 1 18 ASP H . . 3.970 2.758 2.435 3.212 . 0 0 "[ . 1 . 2]" 1
395 1 17 MET H 1 19 SER H . . 5.500 4.484 4.178 4.842 . 0 0 "[ . 1 . 2]" 1
396 1 17 MET H 1 20 ILE H . . 5.500 4.917 4.662 5.091 . 0 0 "[ . 1 . 2]" 1
397 1 17 MET H 1 20 ILE HB . . 5.500 5.084 4.817 5.405 . 0 0 "[ . 1 . 2]" 1
398 1 17 MET H 1 37 VAL MG2 . . 5.210 4.500 2.945 5.298 0.088 16 0 "[ . 1 . 2]" 1
399 1 17 MET HA 1 17 MET HB3 . . 2.800 2.512 2.300 3.001 0.201 17 0 "[ . 1 . 2]" 1
400 1 17 MET HA 1 17 MET QG . . 3.770 3.251 2.462 3.404 . 0 0 "[ . 1 . 2]" 1
401 1 17 MET HA 1 20 ILE H . . 4.070 3.244 2.861 3.579 . 0 0 "[ . 1 . 2]" 1
402 1 17 MET HA 1 20 ILE HB . . 3.710 2.391 2.165 2.656 . 0 0 "[ . 1 . 2]" 1
403 1 17 MET HA 1 20 ILE MG . . 3.980 3.814 3.527 4.058 0.078 4 0 "[ . 1 . 2]" 1
404 1 17 MET HA 1 35 VAL MG1 . . 4.110 3.927 2.879 4.236 0.126 13 0 "[ . 1 . 2]" 1
405 1 17 MET HB2 1 18 ASP H . . 4.100 3.975 3.607 4.167 0.067 7 0 "[ . 1 . 2]" 1
406 1 17 MET HB2 1 21 LEU H . . 5.100 4.661 3.818 5.742 0.642 13 2 "[ . 1 + . -]" 1
407 1 17 MET HB3 1 17 MET QG . . 2.770 2.409 2.091 2.555 . 0 0 "[ . 1 . 2]" 1
408 1 17 MET HB3 1 18 ASP H . . 4.190 3.833 2.003 4.244 0.054 3 0 "[ . 1 . 2]" 1
409 1 17 MET HB3 1 20 ILE HB . . 5.280 4.649 4.127 5.221 . 0 0 "[ . 1 . 2]" 1
410 1 17 MET HB3 1 20 ILE MG . . 5.490 5.404 4.803 6.233 0.743 17 3 "[ . 1 - . + *]" 1
411 1 17 MET HB3 1 35 VAL MG1 . . 4.520 3.067 2.170 5.333 0.813 20 1 "[ . 1 . +]" 1
412 1 17 MET QG 1 18 ASP H . . 3.260 2.477 2.041 3.250 . 0 0 "[ . 1 . 2]" 1
413 1 17 MET QG 1 18 ASP HA . . 4.720 3.366 3.113 3.697 . 0 0 "[ . 1 . 2]" 1
414 1 17 MET QG 1 20 ILE H . . 5.500 5.101 4.695 5.304 . 0 0 "[ . 1 . 2]" 1
415 1 17 MET QG 1 21 LEU QD . . 3.760 2.925 1.827 3.689 . 0 0 "[ . 1 . 2]" 1
416 1 17 MET QG 1 21 LEU HG . . 4.280 3.700 2.274 4.248 . 0 0 "[ . 1 . 2]" 1
417 1 18 ASP H 1 18 ASP HB2 . . 3.130 2.335 2.072 2.745 . 0 0 "[ . 1 . 2]" 1
418 1 18 ASP H 1 21 LEU HB2 . . 5.500 5.133 4.625 5.449 . 0 0 "[ . 1 . 2]" 1
419 1 18 ASP H 1 21 LEU QD . . 5.500 4.244 3.454 4.806 . 0 0 "[ . 1 . 2]" 1
420 1 18 ASP HA 1 18 ASP HB2 . . 2.990 2.559 2.300 3.041 0.051 7 0 "[ . 1 . 2]" 1
421 1 18 ASP HA 1 21 LEU H . . 3.900 3.594 3.275 3.963 0.063 6 0 "[ . 1 . 2]" 1
422 1 18 ASP HA 1 21 LEU HB2 . . 3.510 2.829 2.191 3.245 . 0 0 "[ . 1 . 2]" 1
423 1 18 ASP HA 1 21 LEU HB3 . . 5.160 4.386 3.641 4.867 . 0 0 "[ . 1 . 2]" 1
424 1 18 ASP HA 1 21 LEU QD . . 3.340 2.490 2.050 3.358 0.018 6 0 "[ . 1 . 2]" 1
425 1 18 ASP HA 1 21 LEU HG . . 5.120 3.842 2.929 4.482 . 0 0 "[ . 1 . 2]" 1
426 1 18 ASP HB2 1 19 SER H . . 5.500 3.831 2.544 4.376 . 0 0 "[ . 1 . 2]" 1
427 1 18 ASP HB3 1 19 SER H . . 3.310 2.817 2.280 3.396 0.086 20 0 "[ . 1 . 2]" 1
428 1 19 SER H 1 19 SER HB2 . . 3.810 2.416 2.120 2.675 . 0 0 "[ . 1 . 2]" 1
429 1 19 SER H 1 19 SER HB3 . . 3.570 3.571 3.436 3.641 0.071 17 0 "[ . 1 . 2]" 1
430 1 19 SER H 1 20 ILE HA . . 5.260 5.071 4.790 5.199 . 0 0 "[ . 1 . 2]" 1
431 1 19 SER H 1 20 ILE HB . . 4.500 4.546 4.324 4.580 0.080 5 0 "[ . 1 . 2]" 1
432 1 19 SER H 1 76 ILE MD . . 4.960 4.528 3.743 5.063 0.103 16 0 "[ . 1 . 2]" 1
433 1 19 SER HA 1 20 ILE HA . . 5.420 4.823 4.716 5.024 . 0 0 "[ . 1 . 2]" 1
434 1 19 SER HA 1 23 ALA H . . 4.940 4.380 3.254 4.994 0.054 2 0 "[ . 1 . 2]" 1
435 1 19 SER HB2 1 20 ILE H . . 4.070 2.748 2.281 3.173 . 0 0 "[ . 1 . 2]" 1
436 1 19 SER HB2 1 20 ILE HA . . 4.770 4.494 3.925 4.993 0.223 10 0 "[ . 1 . 2]" 1
437 1 19 SER HB3 1 20 ILE H . . 3.830 3.732 3.280 3.911 0.081 6 0 "[ . 1 . 2]" 1
438 1 19 SER HB3 1 20 ILE HA . . 4.930 4.606 3.964 4.889 . 0 0 "[ . 1 . 2]" 1
439 1 20 ILE H 1 20 ILE HB . . 3.110 2.492 2.429 2.644 . 0 0 "[ . 1 . 2]" 1
440 1 20 ILE H 1 20 ILE MD . . 4.180 3.289 1.948 3.615 . 0 0 "[ . 1 . 2]" 1
441 1 20 ILE H 1 20 ILE HG12 . . 4.310 3.590 3.214 3.893 . 0 0 "[ . 1 . 2]" 1
442 1 20 ILE H 1 20 ILE HG13 . . 3.650 2.243 2.004 3.161 . 0 0 "[ . 1 . 2]" 1
443 1 20 ILE H 1 20 ILE MG . . 4.000 3.799 3.752 3.837 . 0 0 "[ . 1 . 2]" 1
444 1 20 ILE H 1 21 LEU H . . 3.510 2.742 2.412 3.166 . 0 0 "[ . 1 . 2]" 1
445 1 20 ILE H 1 23 ALA H . . 5.500 4.992 4.659 5.558 0.058 19 0 "[ . 1 . 2]" 1
446 1 20 ILE H 1 76 ILE MD . . 3.660 3.399 2.929 3.736 0.076 5 0 "[ . 1 . 2]" 1
447 1 20 ILE HA 1 20 ILE HG12 . . 3.830 2.763 2.531 3.531 . 0 0 "[ . 1 . 2]" 1
448 1 20 ILE HA 1 20 ILE HG13 . . 3.850 2.901 2.346 3.235 . 0 0 "[ . 1 . 2]" 1
449 1 20 ILE HA 1 22 GLY H . . 5.400 4.868 4.592 5.356 . 0 0 "[ . 1 . 2]" 1
450 1 20 ILE HA 1 23 ALA H . . 4.300 3.674 3.098 4.204 . 0 0 "[ . 1 . 2]" 1
451 1 20 ILE HA 1 23 ALA MB . . 3.650 2.779 2.133 3.733 0.083 2 0 "[ . 1 . 2]" 1
452 1 20 ILE HA 1 76 ILE MD . . 3.350 2.760 2.109 3.445 0.095 3 0 "[ . 1 . 2]" 1
453 1 20 ILE HA 1 81 ILE QG . . 4.050 4.118 3.881 4.154 0.104 1 0 "[ . 1 . 2]" 1
454 1 20 ILE HB 1 20 ILE MD . . 2.920 2.339 2.206 2.427 . 0 0 "[ . 1 . 2]" 1
455 1 20 ILE HB 1 21 LEU H . . 3.470 2.774 2.416 3.148 . 0 0 "[ . 1 . 2]" 1
456 1 20 ILE HG12 1 76 ILE H . . 5.500 5.493 4.935 5.585 0.085 10 0 "[ . 1 . 2]" 1
457 1 20 ILE HG12 1 76 ILE MD . . 3.270 2.253 2.006 3.177 . 0 0 "[ . 1 . 2]" 1
458 1 20 ILE HG13 1 20 ILE MG . . 3.510 3.192 2.607 3.262 . 0 0 "[ . 1 . 2]" 1
459 1 20 ILE MG 1 81 ILE QG . . 3.110 2.661 2.017 3.214 0.104 20 0 "[ . 1 . 2]" 1
460 1 21 LEU H 1 21 LEU HB2 . . 3.050 2.344 2.102 2.587 . 0 0 "[ . 1 . 2]" 1
461 1 21 LEU H 1 21 LEU HB3 . . 3.720 3.564 3.345 3.651 . 0 0 "[ . 1 . 2]" 1
462 1 21 LEU H 1 21 LEU QD . . 3.740 3.223 1.980 3.429 . 0 0 "[ . 1 . 2]" 1
463 1 21 LEU H 1 21 LEU HG . . 3.370 2.710 2.174 3.476 0.106 20 0 "[ . 1 . 2]" 1
464 1 21 LEU H 1 22 GLY H . . 3.540 2.975 2.640 3.501 . 0 0 "[ . 1 . 2]" 1
465 1 21 LEU H 1 23 ALA H . . 4.880 4.175 3.806 4.525 . 0 0 "[ . 1 . 2]" 1
466 1 21 LEU H 1 24 LEU H . . 5.500 5.065 4.749 5.491 . 0 0 "[ . 1 . 2]" 1
467 1 21 LEU HA 1 21 LEU QD . . 2.900 2.116 2.006 2.212 . 0 0 "[ . 1 . 2]" 1
468 1 21 LEU HA 1 21 LEU HG . . 3.520 2.889 2.339 3.188 . 0 0 "[ . 1 . 2]" 1
469 1 21 LEU HA 1 24 LEU H . . 3.970 3.650 2.973 4.042 0.072 13 0 "[ . 1 . 2]" 1
470 1 21 LEU HA 1 24 LEU HB3 . . 4.530 4.225 3.168 5.330 0.800 9 1 "[ . +1 . 2]" 1
471 1 21 LEU HA 1 25 ALA H . . 4.950 4.349 3.492 4.999 0.049 11 0 "[ . 1 . 2]" 1
472 1 21 LEU HA 1 25 ALA MB . . 3.480 3.173 2.206 3.582 0.102 13 0 "[ . 1 . 2]" 1
473 1 21 LEU HB2 1 21 LEU QD . . 3.270 2.251 2.186 2.317 . 0 0 "[ . 1 . 2]" 1
474 1 21 LEU HB2 1 22 GLY H . . 3.610 2.493 2.206 2.821 . 0 0 "[ . 1 . 2]" 1
475 1 21 LEU HB2 1 22 GLY QA . . 4.540 4.057 3.589 4.301 . 0 0 "[ . 1 . 2]" 1
476 1 21 LEU HB3 1 21 LEU QD . . 3.240 2.132 2.016 2.343 . 0 0 "[ . 1 . 2]" 1
477 1 21 LEU HB3 1 22 GLY H . . 4.320 3.104 2.469 3.543 . 0 0 "[ . 1 . 2]" 1
478 1 21 LEU QD 1 22 GLY H . . 4.730 3.979 3.679 4.172 . 0 0 "[ . 1 . 2]" 1
479 1 21 LEU QD 1 31 SER HA . . 3.960 2.750 1.860 3.899 . 0 0 "[ . 1 . 2]" 1
480 1 21 LEU QD 1 32 SER H . . 4.620 3.259 1.982 4.479 . 0 0 "[ . 1 . 2]" 1
481 1 21 LEU QD 1 32 SER HA . . 3.590 3.216 2.284 3.619 0.029 3 0 "[ . 1 . 2]" 1
482 1 21 LEU HG 1 22 GLY H . . 5.500 4.630 4.198 4.821 . 0 0 "[ . 1 . 2]" 1
483 1 22 GLY H 1 23 ALA H . . 3.420 2.818 2.601 3.234 . 0 0 "[ . 1 . 2]" 1
484 1 22 GLY H 1 23 ALA MB . . 4.830 4.449 4.236 4.614 . 0 0 "[ . 1 . 2]" 1
485 1 22 GLY H 1 24 LEU H . . 5.060 4.315 3.954 4.706 . 0 0 "[ . 1 . 2]" 1
486 1 22 GLY H 1 25 ALA H . . 5.500 5.292 4.853 5.566 0.066 16 0 "[ . 1 . 2]" 1
487 1 22 GLY QA 1 23 ALA H . . 3.360 2.871 2.699 2.975 . 0 0 "[ . 1 . 2]" 1
488 1 22 GLY QA 1 23 ALA MB . . 4.730 4.104 3.906 4.324 . 0 0 "[ . 1 . 2]" 1
489 1 22 GLY QA 1 24 LEU H . . 3.990 3.777 3.309 4.072 0.082 9 0 "[ . 1 . 2]" 1
490 1 22 GLY QA 1 25 ALA H . . 4.050 3.818 2.949 4.142 0.092 13 0 "[ . 1 . 2]" 1
491 1 22 GLY QA 1 25 ALA MB . . 3.890 3.552 2.561 4.016 0.126 3 0 "[ . 1 . 2]" 1
492 1 23 ALA H 1 23 ALA MB . . 2.810 2.304 2.130 2.658 . 0 0 "[ . 1 . 2]" 1
493 1 23 ALA H 1 76 ILE MD . . 5.500 5.085 3.801 5.597 0.097 5 0 "[ . 1 . 2]" 1
494 1 23 ALA HA 1 74 LEU QD . . 4.800 3.921 3.334 4.416 . 0 0 "[ . 1 . 2]" 1
495 1 23 ALA MB 1 24 LEU H . . 3.550 3.202 2.674 3.633 0.083 6 0 "[ . 1 . 2]" 1
496 1 23 ALA MB 1 74 LEU QD . . 3.160 2.071 1.762 2.537 . 0 0 "[ . 1 . 2]" 1
497 1 23 ALA MB 1 75 THR H . . 5.500 5.211 4.380 5.598 0.098 14 0 "[ . 1 . 2]" 1
498 1 24 LEU H 1 24 LEU HB2 . . 3.920 2.850 2.488 3.660 . 0 0 "[ . 1 . 2]" 1
499 1 24 LEU H 1 24 LEU HB3 . . 3.590 3.216 3.028 3.490 . 0 0 "[ . 1 . 2]" 1
500 1 24 LEU H 1 24 LEU QD . . 4.110 3.715 2.656 3.933 . 0 0 "[ . 1 . 2]" 1
501 1 24 LEU H 1 25 ALA MB . . 5.500 3.640 3.447 4.095 . 0 0 "[ . 1 . 2]" 1
502 1 24 LEU H 1 26 PRO QD . . 5.500 4.200 3.663 4.610 . 0 0 "[ . 1 . 2]" 1
503 1 24 LEU HA 1 24 LEU QD . . 3.030 2.083 1.911 3.041 0.011 9 0 "[ . 1 . 2]" 1
504 1 24 LEU HA 1 24 LEU HG . . 3.740 3.519 2.224 3.744 0.004 5 0 "[ . 1 . 2]" 1
505 1 24 LEU HA 1 26 PRO QD . . 4.260 3.076 2.450 3.716 . 0 0 "[ . 1 . 2]" 1
506 1 24 LEU HA 1 26 PRO HG3 . . 5.120 4.803 3.870 5.168 0.048 8 0 "[ . 1 . 2]" 1
507 1 24 LEU HB2 1 24 LEU QD . . 3.220 2.289 2.035 2.561 . 0 0 "[ . 1 . 2]" 1
508 1 24 LEU HB2 1 24 LEU HG . . 2.830 2.455 2.195 2.990 0.160 17 0 "[ . 1 . 2]" 1
509 1 24 LEU HB2 1 25 ALA H . . 5.010 4.279 2.917 4.548 . 0 0 "[ . 1 . 2]" 1
510 1 24 LEU QD 1 25 ALA H . . 4.860 4.187 3.745 4.546 . 0 0 "[ . 1 . 2]" 1
511 1 24 LEU QD 1 25 ALA HA . . 4.940 4.324 3.999 4.828 . 0 0 "[ . 1 . 2]" 1
512 1 24 LEU QD 1 74 LEU HG . . 4.460 3.904 2.946 4.406 . 0 0 "[ . 1 . 2]" 1
513 1 25 ALA H 1 25 ALA MB . . 2.870 2.562 2.399 2.765 . 0 0 "[ . 1 . 2]" 1
514 1 25 ALA H 1 26 PRO QD . . 3.780 2.729 2.348 3.002 . 0 0 "[ . 1 . 2]" 1
515 1 25 ALA H 1 27 TYR H . . 5.380 5.267 4.890 5.456 0.076 9 0 "[ . 1 . 2]" 1
516 1 25 ALA HA 1 27 TYR H . . 4.060 3.158 2.769 3.478 . 0 0 "[ . 1 . 2]" 1
517 1 25 ALA HA 1 27 TYR HD1 . . 5.500 5.397 4.607 5.588 0.088 13 0 "[ . 1 . 2]" 1
518 1 25 ALA HA 1 28 ALA H . . 3.830 3.198 2.769 3.882 0.052 13 0 "[ . 1 . 2]" 1
519 1 25 ALA MB 1 26 PRO QD . . 3.830 3.596 3.539 3.625 . 0 0 "[ . 1 . 2]" 1
520 1 25 ALA MB 1 27 TYR H . . 5.290 3.911 3.371 4.254 . 0 0 "[ . 1 . 2]" 1
521 1 25 ALA MB 1 28 ALA MB . . 4.000 2.559 2.084 3.902 . 0 0 "[ . 1 . 2]" 1
522 1 26 PRO HA 1 27 TYR HD1 . . 5.420 5.298 4.656 5.510 0.090 20 0 "[ . 1 . 2]" 1
523 1 26 PRO HA 1 28 ALA H . . 5.430 5.091 4.656 5.475 0.045 13 0 "[ . 1 . 2]" 1
524 1 26 PRO HB2 1 27 TYR H . . 4.420 3.652 3.347 3.804 . 0 0 "[ . 1 . 2]" 1
525 1 26 PRO HB2 1 27 TYR HA . . 5.370 4.547 4.105 4.785 . 0 0 "[ . 1 . 2]" 1
526 1 26 PRO HB2 1 27 TYR HD1 . . 5.130 3.466 2.755 3.826 . 0 0 "[ . 1 . 2]" 1
527 1 26 PRO HB2 1 27 TYR HE1 . . 4.810 3.472 2.697 3.787 . 0 0 "[ . 1 . 2]" 1
528 1 26 PRO HB2 1 28 ALA H . . 5.500 5.529 5.271 5.573 0.073 9 0 "[ . 1 . 2]" 1
529 1 26 PRO HB3 1 27 TYR HD1 . . 5.050 4.821 4.307 5.116 0.066 20 0 "[ . 1 . 2]" 1
530 1 26 PRO HB3 1 27 TYR HE1 . . 4.950 4.781 4.242 5.020 0.070 15 0 "[ . 1 . 2]" 1
531 1 26 PRO QD 1 27 TYR H . . 4.230 2.794 2.597 3.084 . 0 0 "[ . 1 . 2]" 1
532 1 26 PRO QD 1 27 TYR HD1 . . 4.660 3.698 3.029 3.933 . 0 0 "[ . 1 . 2]" 1
533 1 26 PRO QD 1 28 ALA H . . 5.500 3.809 3.453 4.314 . 0 0 "[ . 1 . 2]" 1
534 1 26 PRO HG2 1 27 TYR HE1 . . 5.480 2.981 2.377 3.476 . 0 0 "[ . 1 . 2]" 1
535 1 27 TYR H 1 27 TYR HB2 . . 4.100 2.705 2.506 3.563 . 0 0 "[ . 1 . 2]" 1
536 1 27 TYR H 1 27 TYR HB3 . . 3.710 3.753 3.462 3.798 0.088 9 0 "[ . 1 . 2]" 1
537 1 27 TYR H 1 27 TYR HD1 . . 3.990 3.116 2.784 3.804 . 0 0 "[ . 1 . 2]" 1
538 1 27 TYR H 1 27 TYR HE1 . . 5.130 5.109 4.843 5.208 0.078 18 0 "[ . 1 . 2]" 1
539 1 27 TYR H 1 28 ALA H . . 2.960 1.930 1.762 2.096 . 0 0 "[ . 1 . 2]" 1
540 1 27 TYR H 1 54 LEU QD . . 5.350 4.911 4.139 5.355 0.005 17 0 "[ . 1 . 2]" 1
541 1 27 TYR HA 1 63 LEU MD1 . . 4.860 4.703 4.205 4.915 0.055 16 0 "[ . 1 . 2]" 1
542 1 27 TYR HB2 1 27 TYR HD1 . . 3.540 2.421 2.304 3.544 0.004 12 0 "[ . 1 . 2]" 1
543 1 27 TYR HB2 1 28 ALA H . . 4.100 2.844 2.206 3.065 . 0 0 "[ . 1 . 2]" 1
544 1 27 TYR HB2 1 63 LEU HB3 . . 5.140 5.192 4.976 5.391 0.251 1 0 "[ . 1 . 2]" 1
545 1 27 TYR HB2 1 63 LEU MD1 . . 3.710 2.293 2.057 3.195 . 0 0 "[ . 1 . 2]" 1
546 1 27 TYR HB2 1 63 LEU HG . . 3.620 3.388 2.775 3.689 0.069 8 0 "[ . 1 . 2]" 1
547 1 27 TYR HB2 1 67 LEU MD2 . . 4.450 4.323 3.768 5.054 0.604 12 1 "[ . 1 + . 2]" 1
548 1 27 TYR HB3 1 27 TYR HD1 . . 3.570 3.531 2.284 3.634 0.064 13 0 "[ . 1 . 2]" 1
549 1 27 TYR HB3 1 27 TYR HE1 . . 5.350 5.352 4.481 5.424 0.074 13 0 "[ . 1 . 2]" 1
550 1 27 TYR HB3 1 28 ALA H . . 3.870 3.848 3.320 3.949 0.079 4 0 "[ . 1 . 2]" 1
551 1 27 TYR HB3 1 63 LEU MD1 . . 3.760 2.834 2.184 3.147 . 0 0 "[ . 1 . 2]" 1
552 1 27 TYR HD1 1 28 ALA H . . 4.580 4.282 3.783 4.666 0.086 12 0 "[ . 1 . 2]" 1
553 1 27 TYR HD1 1 63 LEU HG . . 3.630 2.440 2.136 3.013 . 0 0 "[ . 1 . 2]" 1
554 1 27 TYR HD1 1 66 ILE HB . . 5.130 5.053 4.495 5.219 0.089 12 0 "[ . 1 . 2]" 1
555 1 27 TYR HD1 1 66 ILE MD . . 4.820 4.702 4.072 4.914 0.094 20 0 "[ . 1 . 2]" 1
556 1 27 TYR HD1 1 67 LEU MD2 . . 4.070 2.498 2.042 3.070 . 0 0 "[ . 1 . 2]" 1
557 1 27 TYR HD1 1 67 LEU HG . . 5.500 4.793 4.162 5.580 0.080 12 0 "[ . 1 . 2]" 1
558 1 27 TYR HE1 1 63 LEU HG . . 3.860 3.718 3.129 3.944 0.084 12 0 "[ . 1 . 2]" 1
559 1 27 TYR HE1 1 66 ILE MD . . 5.360 3.995 3.307 5.459 0.099 12 0 "[ . 1 . 2]" 1
560 1 27 TYR HE1 1 66 ILE MG . . 4.360 2.966 2.298 4.434 0.074 12 0 "[ . 1 . 2]" 1
561 1 28 ALA H 1 28 ALA MB . . 3.600 2.262 2.129 2.344 . 0 0 "[ . 1 . 2]" 1
562 1 28 ALA H 1 54 LEU QD . . 4.430 3.805 3.210 4.219 . 0 0 "[ . 1 . 2]" 1
563 1 28 ALA H 1 63 LEU MD1 . . 4.680 4.422 3.800 5.138 0.458 12 0 "[ . 1 . 2]" 1
564 1 28 ALA HA 1 29 VAL H . . 2.620 2.198 2.085 2.373 . 0 0 "[ . 1 . 2]" 1
565 1 28 ALA HA 1 29 VAL MG2 . . 4.210 3.320 2.991 3.587 . 0 0 "[ . 1 . 2]" 1
566 1 28 ALA HA 1 30 LEU H . . 4.670 4.702 4.470 4.775 0.105 19 0 "[ . 1 . 2]" 1
567 1 28 ALA MB 1 29 VAL H . . 3.280 3.112 2.775 3.365 0.085 3 0 "[ . 1 . 2]" 1
568 1 28 ALA MB 1 29 VAL MG2 . . 4.920 4.256 4.070 4.529 . 0 0 "[ . 1 . 2]" 1
569 1 28 ALA MB 1 30 LEU QD . . 3.010 2.144 1.822 2.702 . 0 0 "[ . 1 . 2]" 1
570 1 28 ALA MB 1 54 LEU HA . . 3.190 2.970 2.393 3.300 0.110 11 0 "[ . 1 . 2]" 1
571 1 28 ALA MB 1 54 LEU QD . . 2.890 2.096 1.832 2.546 . 0 0 "[ . 1 . 2]" 1
572 1 28 ALA MB 1 55 SER H . . 5.500 3.990 3.166 4.449 . 0 0 "[ . 1 . 2]" 1
573 1 29 VAL H 1 29 VAL HB . . 2.970 2.771 2.475 3.038 0.068 5 0 "[ . 1 . 2]" 1
574 1 29 VAL H 1 29 VAL MG1 . . 3.950 3.869 3.686 4.022 0.072 5 0 "[ . 1 . 2]" 1
575 1 29 VAL H 1 29 VAL MG2 . . 3.120 2.404 1.882 2.894 . 0 0 "[ . 1 . 2]" 1
576 1 29 VAL H 1 30 LEU H . . 4.340 3.509 3.027 3.877 . 0 0 "[ . 1 . 2]" 1
577 1 29 VAL H 1 30 LEU QD . . 5.080 2.862 2.067 3.866 . 0 0 "[ . 1 . 2]" 1
578 1 29 VAL H 1 55 SER H . . 4.680 4.538 4.107 4.765 0.085 10 0 "[ . 1 . 2]" 1
579 1 29 VAL H 1 55 SER HA . . 5.500 5.293 4.670 5.584 0.084 17 0 "[ . 1 . 2]" 1
580 1 29 VAL HA 1 29 VAL MG1 . . 3.090 2.290 2.172 2.472 . 0 0 "[ . 1 . 2]" 1
581 1 29 VAL HA 1 29 VAL MG2 . . 3.040 2.569 2.401 2.733 . 0 0 "[ . 1 . 2]" 1
582 1 29 VAL HA 1 30 LEU H . . 2.610 2.270 1.830 2.472 . 0 0 "[ . 1 . 2]" 1
583 1 29 VAL HA 1 30 LEU HG . . 5.250 4.514 3.959 5.364 0.114 14 0 "[ . 1 . 2]" 1
584 1 29 VAL HB 1 30 LEU H . . 4.520 4.420 4.289 4.530 0.010 9 0 "[ . 1 . 2]" 1
585 1 29 VAL MG1 1 30 LEU H . . 3.800 3.798 3.456 3.904 0.104 11 0 "[ . 1 . 2]" 1
586 1 29 VAL MG1 1 30 LEU HA . . 5.500 4.378 4.061 4.726 . 0 0 "[ . 1 . 2]" 1
587 1 30 LEU H 1 30 LEU HB2 . . 3.450 2.951 2.676 3.460 0.010 14 0 "[ . 1 . 2]" 1
588 1 30 LEU H 1 30 LEU QD . . 3.970 2.772 1.625 3.328 . 0 0 "[ . 1 . 2]" 1
589 1 30 LEU H 1 30 LEU HG . . 3.910 2.727 2.156 3.796 . 0 0 "[ . 1 . 2]" 1
590 1 30 LEU H 1 31 SER H . . 4.700 4.484 4.186 4.642 . 0 0 "[ . 1 . 2]" 1
591 1 30 LEU HA 1 30 LEU QD . . 2.970 2.527 2.225 2.923 . 0 0 "[ . 1 . 2]" 1
592 1 30 LEU HA 1 30 LEU HG . . 4.170 3.576 3.260 4.144 . 0 0 "[ . 1 . 2]" 1
593 1 30 LEU HA 1 31 SER H . . 2.830 2.479 2.092 2.906 0.076 8 0 "[ . 1 . 2]" 1
594 1 30 LEU HB2 1 30 LEU QD . . 2.940 2.228 2.144 2.396 . 0 0 "[ . 1 . 2]" 1
595 1 30 LEU HB2 1 31 SER H . . 3.850 2.972 2.190 3.635 . 0 0 "[ . 1 . 2]" 1
596 1 30 LEU HB2 1 32 SER H . . 5.500 5.035 4.046 5.582 0.082 2 0 "[ . 1 . 2]" 1
597 1 30 LEU HB2 1 34 ASN HB2 . . 5.340 3.560 2.360 4.297 . 0 0 "[ . 1 . 2]" 1
598 1 30 LEU HB2 1 34 ASN QD . . 5.500 3.902 2.633 4.674 . 0 0 "[ . 1 . 2]" 1
599 1 30 LEU HB3 1 30 LEU QD . . 2.770 2.258 2.153 2.529 . 0 0 "[ . 1 . 2]" 1
600 1 30 LEU HB3 1 31 SER H . . 3.440 2.460 2.072 3.107 . 0 0 "[ . 1 . 2]" 1
601 1 30 LEU HB3 1 33 SER H . . 5.500 5.427 4.286 5.582 0.082 16 0 "[ . 1 . 2]" 1
602 1 30 LEU HB3 1 34 ASN H . . 5.500 4.050 3.504 4.731 . 0 0 "[ . 1 . 2]" 1
603 1 30 LEU HB3 1 34 ASN HB2 . . 4.240 2.386 2.076 3.088 . 0 0 "[ . 1 . 2]" 1
604 1 30 LEU HB3 1 34 ASN HB3 . . 4.300 3.535 2.337 4.264 . 0 0 "[ . 1 . 2]" 1
605 1 30 LEU QD 1 31 SER H . . 4.500 3.811 3.526 4.098 . 0 0 "[ . 1 . 2]" 1
606 1 30 LEU QD 1 34 ASN HB2 . . 3.670 2.740 2.257 3.528 . 0 0 "[ . 1 . 2]" 1
607 1 30 LEU QD 1 34 ASN HB3 . . 3.760 2.685 2.096 3.648 . 0 0 "[ . 1 . 2]" 1
608 1 30 LEU QD 1 34 ASN QD . . 4.690 2.290 1.777 3.258 . 0 0 "[ . 1 . 2]" 1
609 1 30 LEU QD 1 53 GLN H . . 5.470 2.876 2.039 4.450 . 0 0 "[ . 1 . 2]" 1
610 1 30 LEU QD 1 54 LEU H . . 5.500 4.139 3.804 4.533 . 0 0 "[ . 1 . 2]" 1
611 1 30 LEU QD 1 54 LEU HA . . 4.020 2.863 2.153 3.492 . 0 0 "[ . 1 . 2]" 1
612 1 30 LEU QD 1 55 SER H . . 5.500 3.981 2.762 4.752 . 0 0 "[ . 1 . 2]" 1
613 1 30 LEU HG 1 31 SER H . . 4.890 4.833 4.096 4.967 0.077 16 0 "[ . 1 . 2]" 1
614 1 31 SER H 1 31 SER HB2 . . 3.880 3.402 2.930 4.074 0.194 3 0 "[ . 1 . 2]" 1
615 1 31 SER H 1 32 SER H . . 5.050 3.313 1.888 4.368 . 0 0 "[ . 1 . 2]" 1
616 1 31 SER H 1 32 SER HA . . 5.500 4.871 4.006 5.549 0.049 9 0 "[ . 1 . 2]" 1
617 1 31 SER H 1 33 SER H . . 5.450 3.890 2.995 4.282 . 0 0 "[ . 1 . 2]" 1
618 1 31 SER H 1 34 ASN H . . 4.090 3.890 3.362 4.176 0.086 11 0 "[ . 1 . 2]" 1
619 1 31 SER H 1 34 ASN HB2 . . 4.080 3.768 2.825 4.535 0.455 8 0 "[ . 1 . 2]" 1
620 1 31 SER H 1 34 ASN QD . . 4.100 3.381 2.853 3.940 . 0 0 "[ . 1 . 2]" 1
621 1 31 SER H 1 35 VAL H . . 5.500 5.396 4.822 5.583 0.083 17 0 "[ . 1 . 2]" 1
622 1 31 SER HA 1 32 SER H . . 3.550 2.770 2.072 3.619 0.069 20 0 "[ . 1 . 2]" 1
623 1 31 SER HB3 1 32 SER H . . 3.840 3.398 2.264 4.184 0.344 10 0 "[ . 1 . 2]" 1
624 1 32 SER H 1 32 SER QB . . 3.620 2.854 2.018 3.385 . 0 0 "[ . 1 . 2]" 1
625 1 32 SER H 1 33 SER H . . 4.500 3.058 1.753 3.994 . 0 0 "[ . 1 . 2]" 1
626 1 32 SER HA 1 35 VAL H . . 3.910 3.645 2.802 3.990 0.080 6 0 "[ . 1 . 2]" 1
627 1 32 SER HA 1 35 VAL HB . . 4.130 3.220 2.122 4.201 0.071 11 0 "[ . 1 . 2]" 1
628 1 32 SER HA 1 35 VAL MG2 . . 4.290 2.940 2.148 3.660 . 0 0 "[ . 1 . 2]" 1
629 1 32 SER QB 1 33 SER H . . 4.040 2.774 2.177 3.825 . 0 0 "[ . 1 . 2]" 1
630 1 32 SER QB 1 34 ASN H . . 4.880 4.602 4.438 4.729 . 0 0 "[ . 1 . 2]" 1
631 1 33 SER H 1 33 SER HB2 . . 3.710 2.609 2.247 3.276 . 0 0 "[ . 1 . 2]" 1
632 1 33 SER H 1 33 SER HB3 . . 3.770 3.535 3.272 3.813 0.043 12 0 "[ . 1 . 2]" 1
633 1 33 SER H 1 34 ASN HB2 . . 5.500 4.889 3.804 5.899 0.399 8 0 "[ . 1 . 2]" 1
634 1 33 SER H 1 35 VAL H . . 4.910 4.321 3.957 4.770 . 0 0 "[ . 1 . 2]" 1
635 1 33 SER HA 1 33 SER HB2 . . 2.840 3.014 2.861 3.062 0.222 3 0 "[ . 1 . 2]" 1
636 1 33 SER HA 1 35 VAL H . . 4.510 4.052 3.426 4.565 0.055 12 0 "[ . 1 . 2]" 1
637 1 33 SER HB2 1 34 ASN H . . 4.270 3.328 2.458 4.107 . 0 0 "[ . 1 . 2]" 1
638 1 34 ASN H 1 34 ASN HB2 . . 3.300 2.545 2.277 3.545 0.245 8 0 "[ . 1 . 2]" 1
639 1 34 ASN H 1 34 ASN HB3 . . 3.720 3.566 2.281 3.798 0.078 14 0 "[ . 1 . 2]" 1
640 1 34 ASN H 1 35 VAL H . . 3.130 2.263 1.816 2.793 . 0 0 "[ . 1 . 2]" 1
641 1 34 ASN H 1 35 VAL HB . . 4.700 4.441 4.009 4.766 0.066 20 0 "[ . 1 . 2]" 1
642 1 34 ASN H 1 35 VAL MG2 . . 4.120 3.200 2.451 3.667 . 0 0 "[ . 1 . 2]" 1
643 1 34 ASN HA 1 35 VAL H . . 3.570 3.427 3.158 3.608 0.038 4 0 "[ . 1 . 2]" 1
644 1 34 ASN HB2 1 35 VAL H . . 4.210 3.392 2.610 4.281 0.071 8 0 "[ . 1 . 2]" 1
645 1 34 ASN HB2 1 35 VAL MG2 . . 3.810 3.258 2.528 3.894 0.084 3 0 "[ . 1 . 2]" 1
646 1 34 ASN HB2 1 53 GLN H . . 4.870 4.032 2.676 4.957 0.087 12 0 "[ . 1 . 2]" 1
647 1 34 ASN HB3 1 34 ASN QD . . 3.420 3.133 2.348 3.318 . 0 0 "[ . 1 . 2]" 1
648 1 34 ASN HB3 1 35 VAL H . . 4.570 3.851 2.458 4.439 . 0 0 "[ . 1 . 2]" 1
649 1 34 ASN HB3 1 35 VAL MG2 . . 4.330 3.781 2.911 4.403 0.073 16 0 "[ . 1 . 2]" 1
650 1 34 ASN HB3 1 53 GLN H . . 4.170 2.725 2.033 4.334 0.164 8 0 "[ . 1 . 2]" 1
651 1 34 ASN QD 1 35 VAL H . . 5.500 4.990 4.100 5.313 . 0 0 "[ . 1 . 2]" 1
652 1 34 ASN QD 1 53 GLN H . . 5.500 4.644 2.831 4.966 . 0 0 "[ . 1 . 2]" 1
653 1 34 ASN QD 1 53 GLN HB3 . . 5.310 3.715 3.061 5.109 . 0 0 "[ . 1 . 2]" 1
654 1 35 VAL H 1 35 VAL HB . . 3.180 2.565 2.429 2.809 . 0 0 "[ . 1 . 2]" 1
655 1 35 VAL H 1 35 VAL MG1 . . 4.360 3.797 3.700 3.928 . 0 0 "[ . 1 . 2]" 1
656 1 35 VAL H 1 35 VAL MG2 . . 3.400 2.248 1.914 2.740 . 0 0 "[ . 1 . 2]" 1
657 1 35 VAL H 1 36 ARG H . . 4.860 4.358 3.949 4.628 . 0 0 "[ . 1 . 2]" 1
658 1 35 VAL HA 1 35 VAL MG1 . . 3.200 2.324 2.109 2.408 . 0 0 "[ . 1 . 2]" 1
659 1 35 VAL HA 1 35 VAL MG2 . . 3.220 2.437 2.337 2.530 . 0 0 "[ . 1 . 2]" 1
660 1 35 VAL HA 1 36 ARG H . . 2.850 2.202 2.113 2.265 . 0 0 "[ . 1 . 2]" 1
661 1 35 VAL MG1 1 36 ARG H . . 3.440 3.032 2.311 3.535 0.095 9 0 "[ . 1 . 2]" 1
662 1 35 VAL MG1 1 37 VAL H . . 4.120 3.687 2.619 4.206 0.086 10 0 "[ . 1 . 2]" 1
663 1 35 VAL MG1 1 50 ALA MB . . 3.550 2.833 2.050 3.584 0.034 15 0 "[ . 1 . 2]" 1
664 1 35 VAL MG2 1 36 ARG H . . 4.260 4.230 3.924 4.349 0.089 17 0 "[ . 1 . 2]" 1
665 1 36 ARG H 1 36 ARG QB . . 3.280 2.578 2.324 2.835 . 0 0 "[ . 1 . 2]" 1
666 1 36 ARG H 1 36 ARG HG3 . . 4.740 4.625 4.447 4.737 . 0 0 "[ . 1 . 2]" 1
667 1 36 ARG H 1 37 VAL H . . 4.510 4.031 3.614 4.273 . 0 0 "[ . 1 . 2]" 1
668 1 36 ARG H 1 50 ALA MB . . 4.900 3.511 2.763 4.253 . 0 0 "[ . 1 . 2]" 1
669 1 36 ARG H 1 51 PHE H . . 3.700 2.997 2.665 3.329 . 0 0 "[ . 1 . 2]" 1
670 1 36 ARG H 1 51 PHE HB2 . . 4.230 3.616 2.993 4.096 . 0 0 "[ . 1 . 2]" 1
671 1 36 ARG H 1 51 PHE HB3 . . 5.170 4.665 3.838 5.245 0.075 16 0 "[ . 1 . 2]" 1
672 1 36 ARG H 1 51 PHE HD2 . . 5.500 5.519 5.304 5.579 0.079 19 0 "[ . 1 . 2]" 1
673 1 36 ARG H 1 52 ILE H . . 5.500 5.378 4.869 5.584 0.084 18 0 "[ . 1 . 2]" 1
674 1 36 ARG HA 1 36 ARG HD2 . . 3.340 3.067 2.052 3.809 0.469 11 0 "[ . 1 . 2]" 1
675 1 36 ARG HA 1 36 ARG HG2 . . 3.820 3.712 3.619 3.773 . 0 0 "[ . 1 . 2]" 1
676 1 36 ARG HA 1 36 ARG HG3 . . 3.990 3.041 2.586 3.289 . 0 0 "[ . 1 . 2]" 1
677 1 36 ARG HA 1 37 VAL MG2 . . 4.140 3.840 3.532 4.227 0.087 13 0 "[ . 1 . 2]" 1
678 1 36 ARG HA 1 38 ILE MD . . 4.710 4.529 4.171 4.813 0.103 17 0 "[ . 1 . 2]" 1
679 1 36 ARG HA 1 39 LYS QG . . 5.440 4.505 3.852 5.207 . 0 0 "[ . 1 . 2]" 1
680 1 36 ARG QB 1 36 ARG HD2 . . 3.530 3.381 2.903 3.595 0.065 19 0 "[ . 1 . 2]" 1
681 1 36 ARG QB 1 38 ILE MD . . 3.760 3.043 2.574 3.606 . 0 0 "[ . 1 . 2]" 1
682 1 36 ARG QB 1 51 PHE H . . 4.000 3.502 3.160 3.803 . 0 0 "[ . 1 . 2]" 1
683 1 36 ARG QB 1 51 PHE HB2 . . 3.070 2.821 2.259 3.151 0.081 4 0 "[ . 1 . 2]" 1
684 1 36 ARG QB 1 51 PHE HD2 . . 5.290 4.779 4.455 5.165 . 0 0 "[ . 1 . 2]" 1
685 1 36 ARG HD2 1 37 VAL H . . 5.500 4.103 2.632 5.459 . 0 0 "[ . 1 . 2]" 1
686 1 36 ARG HD2 1 38 ILE MD . . 5.500 4.261 3.319 4.961 . 0 0 "[ . 1 . 2]" 1
687 1 36 ARG HD2 1 39 LYS H . . 5.500 3.947 2.514 4.746 . 0 0 "[ . 1 . 2]" 1
688 1 36 ARG HD2 1 39 LYS QG . . 4.310 3.878 3.122 4.692 0.382 14 0 "[ . 1 . 2]" 1
689 1 36 ARG HG3 1 38 ILE HA . . 4.450 2.974 2.540 3.782 . 0 0 "[ . 1 . 2]" 1
690 1 36 ARG HG3 1 38 ILE MD . . 4.070 2.316 2.066 2.799 . 0 0 "[ . 1 . 2]" 1
691 1 36 ARG HG3 1 51 PHE H . . 5.270 5.085 4.629 5.346 0.076 20 0 "[ . 1 . 2]" 1
692 1 37 VAL H 1 37 VAL HB . . 3.130 2.818 2.319 2.975 . 0 0 "[ . 1 . 2]" 1
693 1 37 VAL H 1 37 VAL MG2 . . 3.300 2.259 2.029 2.655 . 0 0 "[ . 1 . 2]" 1
694 1 37 VAL H 1 38 ILE H . . 5.260 3.158 2.615 4.475 . 0 0 "[ . 1 . 2]" 1
695 1 37 VAL H 1 38 ILE HA . . 5.500 4.809 4.339 5.216 . 0 0 "[ . 1 . 2]" 1
696 1 37 VAL H 1 38 ILE MD . . 4.590 4.620 4.348 4.688 0.098 6 0 "[ . 1 . 2]" 1
697 1 37 VAL H 1 39 LYS H . . 4.770 3.790 3.241 4.853 0.083 17 0 "[ . 1 . 2]" 1
698 1 37 VAL H 1 50 ALA MB . . 5.500 4.130 3.235 4.607 . 0 0 "[ . 1 . 2]" 1
699 1 37 VAL HA 1 37 VAL MG2 . . 3.080 2.739 2.327 2.869 . 0 0 "[ . 1 . 2]" 1
700 1 37 VAL HA 1 38 ILE H . . 3.060 2.785 2.155 2.968 . 0 0 "[ . 1 . 2]" 1
701 1 37 VAL HA 1 38 ILE HB . . 4.800 4.640 4.376 4.852 0.052 6 0 "[ . 1 . 2]" 1
702 1 37 VAL HA 1 38 ILE MD . . 4.630 3.981 3.839 4.204 . 0 0 "[ . 1 . 2]" 1
703 1 37 VAL HA 1 38 ILE QG . . 4.220 3.392 3.070 3.976 . 0 0 "[ . 1 . 2]" 1
704 1 37 VAL HA 1 39 LYS H . . 5.500 4.803 4.376 5.546 0.046 14 0 "[ . 1 . 2]" 1
705 1 37 VAL HA 1 50 ALA H . . 5.500 4.482 4.264 5.026 . 0 0 "[ . 1 . 2]" 1
706 1 37 VAL HA 1 50 ALA HA . . 3.370 2.044 1.850 2.549 . 0 0 "[ . 1 . 2]" 1
707 1 37 VAL HA 1 50 ALA MB . . 3.290 2.872 2.025 3.357 0.067 7 0 "[ . 1 . 2]" 1
708 1 37 VAL HA 1 51 PHE H . . 4.400 3.531 2.979 4.112 . 0 0 "[ . 1 . 2]" 1
709 1 37 VAL HA 1 51 PHE HD2 . . 5.500 4.598 4.070 5.518 0.018 17 0 "[ . 1 . 2]" 1
710 1 37 VAL HB 1 38 ILE H . . 5.500 4.187 4.091 4.277 . 0 0 "[ . 1 . 2]" 1
711 1 37 VAL MG2 1 46 ASN HA . . 4.220 4.149 3.850 4.320 0.100 13 0 "[ . 1 . 2]" 1
712 1 37 VAL MG2 1 46 ASN HB3 . . 3.460 3.523 3.325 3.570 0.110 16 0 "[ . 1 . 2]" 1
713 1 37 VAL MG2 1 46 ASN HD21 . . 3.660 3.757 3.642 3.774 0.114 16 0 "[ . 1 . 2]" 1
714 1 37 VAL MG2 1 46 ASN HD22 . . 5.020 3.294 2.961 3.529 . 0 0 "[ . 1 . 2]" 1
715 1 37 VAL MG2 1 50 ALA HA . . 4.200 3.471 2.813 4.194 . 0 0 "[ . 1 . 2]" 1
716 1 37 VAL MG2 1 50 ALA MB . . 2.890 2.187 2.013 2.801 . 0 0 "[ . 1 . 2]" 1
717 1 38 ILE H 1 38 ILE QG . . 3.780 2.643 2.187 2.938 . 0 0 "[ . 1 . 2]" 1
718 1 38 ILE H 1 39 LYS H . . 5.170 3.148 2.828 3.930 . 0 0 "[ . 1 . 2]" 1
719 1 38 ILE H 1 50 ALA HA . . 4.840 4.052 2.738 4.545 . 0 0 "[ . 1 . 2]" 1
720 1 38 ILE H 1 50 ALA MB . . 5.500 4.910 3.722 5.475 . 0 0 "[ . 1 . 2]" 1
721 1 38 ILE H 1 51 PHE H . . 5.140 4.531 3.985 5.181 0.041 16 0 "[ . 1 . 2]" 1
722 1 38 ILE HA 1 38 ILE MD . . 3.050 2.418 2.244 2.580 . 0 0 "[ . 1 . 2]" 1
723 1 38 ILE HA 1 38 ILE QG . . 3.510 3.245 3.178 3.316 . 0 0 "[ . 1 . 2]" 1
724 1 38 ILE HA 1 38 ILE MG . . 3.030 2.347 2.238 2.433 . 0 0 "[ . 1 . 2]" 1
725 1 38 ILE HA 1 39 LYS H . . 2.760 2.626 2.251 2.826 0.066 1 0 "[ . 1 . 2]" 1
726 1 38 ILE HB 1 47 ARG HB3 . . 5.160 3.620 2.867 4.563 . 0 0 "[ . 1 . 2]" 1
727 1 38 ILE MD 1 50 ALA HA . . 4.570 4.264 3.585 4.654 0.084 4 0 "[ . 1 . 2]" 1
728 1 38 ILE MD 1 51 PHE HD2 . . 3.930 3.039 2.655 3.727 . 0 0 "[ . 1 . 2]" 1
729 1 38 ILE MD 1 51 PHE HZ . . 5.500 4.568 3.944 4.982 . 0 0 "[ . 1 . 2]" 1
730 1 38 ILE QG 1 38 ILE MG . . 2.790 2.218 2.165 2.277 . 0 0 "[ . 1 . 2]" 1
731 1 38 ILE QG 1 49 PHE H . . 5.500 4.352 4.036 4.714 . 0 0 "[ . 1 . 2]" 1
732 1 38 ILE QG 1 49 PHE HE1 . . 3.670 2.315 2.127 3.035 . 0 0 "[ . 1 . 2]" 1
733 1 38 ILE QG 1 49 PHE HZ . . 5.390 4.393 4.048 5.216 . 0 0 "[ . 1 . 2]" 1
734 1 38 ILE MG 1 39 LYS HA . . 5.260 4.844 4.577 4.998 . 0 0 "[ . 1 . 2]" 1
735 1 38 ILE MG 1 47 ARG H . . 4.830 4.685 4.375 4.920 0.090 5 0 "[ . 1 . 2]" 1
736 1 38 ILE MG 1 47 ARG HB2 . . 4.370 3.585 3.105 3.832 . 0 0 "[ . 1 . 2]" 1
737 1 38 ILE MG 1 47 ARG HB3 . . 4.470 4.204 3.791 4.561 0.091 16 0 "[ . 1 . 2]" 1
738 1 38 ILE MG 1 47 ARG QD . . 3.610 3.241 2.067 3.725 0.115 2 0 "[ . 1 . 2]" 1
739 1 38 ILE MG 1 47 ARG QG . . 3.560 2.567 2.245 3.500 . 0 0 "[ . 1 . 2]" 1
740 1 38 ILE MG 1 49 PHE HE1 . . 3.480 3.110 2.284 3.555 0.075 3 0 "[ . 1 . 2]" 1
741 1 38 ILE MG 1 49 PHE HZ . . 4.380 4.285 3.727 4.465 0.085 1 0 "[ . 1 . 2]" 1
742 1 39 LYS H 1 39 LYS QB . . 3.430 2.530 2.127 3.066 . 0 0 "[ . 1 . 2]" 1
743 1 39 LYS H 1 39 LYS QG . . 4.030 2.255 1.907 2.962 . 0 0 "[ . 1 . 2]" 1
744 1 39 LYS H 1 46 ASN HA . . 5.500 4.434 3.939 4.968 . 0 0 "[ . 1 . 2]" 1
745 1 39 LYS HA 1 39 LYS QD . . 4.380 3.653 2.328 4.474 0.094 16 0 "[ . 1 . 2]" 1
746 1 39 LYS HA 1 40 ASP H . . 2.910 2.291 2.180 2.696 . 0 0 "[ . 1 . 2]" 1
747 1 39 LYS HA 1 46 ASN HA . . 2.930 2.585 2.254 2.846 . 0 0 "[ . 1 . 2]" 1
748 1 39 LYS HA 1 47 ARG H . . 3.900 3.115 2.529 3.658 . 0 0 "[ . 1 . 2]" 1
749 1 39 LYS QB 1 39 LYS QD . . 2.400 2.261 2.111 2.439 0.039 8 0 "[ . 1 . 2]" 1
750 1 39 LYS QB 1 44 GLN HA . . 3.960 3.369 2.459 3.961 0.001 14 0 "[ . 1 . 2]" 1
751 1 39 LYS QB 1 46 ASN HA . . 5.340 3.362 2.310 4.713 . 0 0 "[ . 1 . 2]" 1
752 1 39 LYS QD 1 44 GLN HA . . 5.060 3.765 2.771 4.856 . 0 0 "[ . 1 . 2]" 1
753 1 39 LYS QG 1 46 ASN HA . . 5.300 4.229 2.857 4.951 . 0 0 "[ . 1 . 2]" 1
754 1 40 ASP H 1 40 ASP HB2 . . 3.290 2.391 2.156 2.837 . 0 0 "[ . 1 . 2]" 1
755 1 40 ASP H 1 40 ASP HB3 . . 3.300 2.891 2.684 3.377 0.077 6 0 "[ . 1 . 2]" 1
756 1 40 ASP H 1 43 THR H . . 5.430 5.260 4.726 5.499 0.069 7 0 "[ . 1 . 2]" 1
757 1 40 ASP H 1 43 THR MG . . 4.590 3.938 3.714 4.517 . 0 0 "[ . 1 . 2]" 1
758 1 40 ASP H 1 44 GLN H . . 4.700 4.147 3.750 4.767 0.067 14 0 "[ . 1 . 2]" 1
759 1 40 ASP H 1 44 GLN HA . . 5.160 3.359 2.810 4.068 . 0 0 "[ . 1 . 2]" 1
760 1 40 ASP H 1 45 LEU H . . 4.490 2.716 2.314 3.340 . 0 0 "[ . 1 . 2]" 1
761 1 40 ASP H 1 45 LEU MD2 . . 5.500 5.605 5.582 5.624 0.124 16 0 "[ . 1 . 2]" 1
762 1 40 ASP H 1 46 ASN H . . 5.160 4.913 4.699 5.103 . 0 0 "[ . 1 . 2]" 1
763 1 40 ASP H 1 46 ASN HA . . 4.170 3.994 3.660 4.231 0.061 6 0 "[ . 1 . 2]" 1
764 1 40 ASP H 1 47 ARG H . . 4.560 4.486 3.956 4.626 0.066 5 0 "[ . 1 . 2]" 1
765 1 40 ASP H 1 47 ARG QG . . 4.270 4.014 3.629 4.232 . 0 0 "[ . 1 . 2]" 1
766 1 40 ASP HA 1 41 LYS H . . 2.960 2.485 2.188 2.805 . 0 0 "[ . 1 . 2]" 1
767 1 40 ASP HA 1 42 GLN H . . 4.580 4.237 3.909 4.660 0.080 6 0 "[ . 1 . 2]" 1
768 1 40 ASP HA 1 43 THR H . . 5.350 5.029 4.524 5.437 0.087 6 0 "[ . 1 . 2]" 1
769 1 40 ASP HA 1 44 GLN H . . 5.500 4.713 4.435 5.203 . 0 0 "[ . 1 . 2]" 1
770 1 40 ASP HB2 1 45 LEU H . . 4.140 3.144 2.509 4.211 0.071 6 0 "[ . 1 . 2]" 1
771 1 40 ASP HB3 1 41 LYS H . . 5.500 3.151 2.042 4.057 . 0 0 "[ . 1 . 2]" 1
772 1 40 ASP HB3 1 42 GLN H . . 3.320 3.382 3.180 3.407 0.087 19 0 "[ . 1 . 2]" 1
773 1 40 ASP HB3 1 43 THR H . . 4.340 2.661 2.097 3.421 . 0 0 "[ . 1 . 2]" 1
774 1 40 ASP HB3 1 44 GLN H . . 4.470 2.469 1.971 3.661 . 0 0 "[ . 1 . 2]" 1
775 1 40 ASP HB3 1 45 LEU H . . 4.170 2.668 2.257 4.002 . 0 0 "[ . 1 . 2]" 1
776 1 41 LYS H 1 41 LYS HB2 . . 3.800 3.586 2.614 3.746 . 0 0 "[ . 1 . 2]" 1
777 1 41 LYS H 1 41 LYS QG . . 4.600 2.207 1.860 3.972 . 0 0 "[ . 1 . 2]" 1
778 1 41 LYS H 1 42 GLN H . . 3.880 2.163 1.604 3.057 . 0 0 "[ . 1 . 2]" 1
779 1 41 LYS H 1 43 THR H . . 5.210 3.849 3.018 4.718 . 0 0 "[ . 1 . 2]" 1
780 1 41 LYS H 1 44 GLN H . . 5.500 4.015 3.159 4.837 . 0 0 "[ . 1 . 2]" 1
781 1 41 LYS H 1 44 GLN QE . . 5.500 4.658 3.780 5.237 . 0 0 "[ . 1 . 2]" 1
782 1 41 LYS H 1 44 GLN QG . . 5.480 5.252 4.784 5.384 . 0 0 "[ . 1 . 2]" 1
783 1 41 LYS HA 1 41 LYS HB2 . . 2.720 2.475 2.251 2.653 . 0 0 "[ . 1 . 2]" 1
784 1 41 LYS HA 1 41 LYS QG . . 3.940 3.364 2.400 3.492 . 0 0 "[ . 1 . 2]" 1
785 1 41 LYS HA 1 42 GLN H . . 3.530 3.503 3.404 3.604 0.074 14 0 "[ . 1 . 2]" 1
786 1 41 LYS HA 1 42 GLN HA . . 4.720 4.712 4.443 4.787 0.067 6 0 "[ . 1 . 2]" 1
787 1 41 LYS HA 1 44 GLN QE . . 4.090 2.493 1.854 3.630 . 0 0 "[ . 1 . 2]" 1
788 1 41 LYS HB2 1 42 GLN H . . 3.560 3.647 3.294 4.026 0.466 14 0 "[ . 1 . 2]" 1
789 1 41 LYS HB2 1 44 GLN QE . . 5.490 3.861 3.213 4.800 . 0 0 "[ . 1 . 2]" 1
790 1 41 LYS HD2 1 41 LYS QG . . 2.440 2.313 2.122 2.565 0.125 1 0 "[ . 1 . 2]" 1
791 1 41 LYS HD2 1 42 GLN H . . 5.310 4.526 4.150 5.562 0.252 14 0 "[ . 1 . 2]" 1
792 1 41 LYS QG 1 42 GLN H . . 4.860 2.290 1.949 3.247 . 0 0 "[ . 1 . 2]" 1
793 1 41 LYS QG 1 42 GLN QB . . 4.220 3.646 2.438 4.148 . 0 0 "[ . 1 . 2]" 1
794 1 41 LYS QG 1 42 GLN HE21 . . 5.300 3.565 2.752 5.186 . 0 0 "[ . 1 . 2]" 1
795 1 41 LYS QG 1 42 GLN HE22 . . 5.080 3.434 2.409 5.002 . 0 0 "[ . 1 . 2]" 1
796 1 41 LYS QG 1 43 THR H . . 5.210 4.522 4.198 5.023 . 0 0 "[ . 1 . 2]" 1
797 1 41 LYS QG 1 44 GLN QE . . 5.440 4.588 2.283 4.949 . 0 0 "[ . 1 . 2]" 1
798 1 42 GLN H 1 42 GLN QB . . 3.130 2.482 2.149 2.793 . 0 0 "[ . 1 . 2]" 1
799 1 42 GLN H 1 42 GLN QG . . 4.280 3.149 2.168 4.150 . 0 0 "[ . 1 . 2]" 1
800 1 42 GLN H 1 43 THR H . . 3.250 2.607 2.284 2.923 . 0 0 "[ . 1 . 2]" 1
801 1 42 GLN H 1 43 THR MG . . 5.010 3.842 3.551 4.238 . 0 0 "[ . 1 . 2]" 1
802 1 42 GLN H 1 44 GLN H . . 4.460 3.657 3.228 4.086 . 0 0 "[ . 1 . 2]" 1
803 1 42 GLN H 1 44 GLN QE . . 5.500 4.396 3.386 5.008 . 0 0 "[ . 1 . 2]" 1
804 1 42 GLN HA 1 42 GLN QG . . 3.480 2.608 2.214 3.556 0.076 6 0 "[ . 1 . 2]" 1
805 1 42 GLN HA 1 44 GLN QE . . 5.500 4.118 2.805 5.137 . 0 0 "[ . 1 . 2]" 1
806 1 42 GLN QB 1 42 GLN QG . . 2.400 2.025 1.988 2.099 . 0 0 "[ . 1 . 2]" 1
807 1 42 GLN QB 1 43 THR H . . 3.480 2.741 2.140 3.556 0.076 6 0 "[ . 1 . 2]" 1
808 1 42 GLN QB 1 43 THR HA . . 4.500 4.146 3.682 4.606 0.106 17 0 "[ . 1 . 2]" 1
809 1 42 GLN QB 1 43 THR HB . . 3.990 3.557 3.174 4.026 0.036 6 0 "[ . 1 . 2]" 1
810 1 42 GLN QB 1 43 THR MG . . 3.790 3.296 2.799 3.899 0.109 6 0 "[ . 1 . 2]" 1
811 1 42 GLN HE21 1 43 THR HB . . 5.500 5.350 4.825 5.571 0.071 19 0 "[ . 1 . 2]" 1
812 1 42 GLN HE22 1 42 GLN QG . . 3.810 3.489 3.261 3.583 . 0 0 "[ . 1 . 2]" 1
813 1 42 GLN QG 1 43 THR MG . . 5.500 4.715 2.163 5.333 . 0 0 "[ . 1 . 2]" 1
814 1 43 THR H 1 43 THR MG . . 3.240 2.177 1.848 2.725 . 0 0 "[ . 1 . 2]" 1
815 1 43 THR H 1 44 GLN H . . 3.450 2.169 1.614 2.515 . 0 0 "[ . 1 . 2]" 1
816 1 43 THR H 1 44 GLN HA . . 4.620 4.334 3.681 4.685 0.065 10 0 "[ . 1 . 2]" 1
817 1 43 THR H 1 45 LEU H . . 4.420 4.032 3.702 4.467 0.047 9 0 "[ . 1 . 2]" 1
818 1 43 THR HA 1 43 THR MG . . 3.320 3.258 3.226 3.278 . 0 0 "[ . 1 . 2]" 1
819 1 43 THR HA 1 44 GLN HB2 . . 4.890 4.652 4.432 4.958 0.068 15 0 "[ . 1 . 2]" 1
820 1 43 THR HB 1 44 GLN H . . 4.480 4.374 4.224 4.468 . 0 0 "[ . 1 . 2]" 1
821 1 43 THR HB 1 45 LEU MD1 . . 3.610 3.716 3.701 3.722 0.112 4 0 "[ . 1 . 2]" 1
822 1 43 THR MG 1 44 GLN H . . 4.560 2.887 2.633 3.060 . 0 0 "[ . 1 . 2]" 1
823 1 43 THR MG 1 45 LEU H . . 4.410 2.173 1.805 2.490 . 0 0 "[ . 1 . 2]" 1
824 1 43 THR MG 1 45 LEU HB3 . . 3.980 3.745 3.585 4.010 0.030 5 0 "[ . 1 . 2]" 1
825 1 43 THR MG 1 45 LEU MD1 . . 3.730 2.225 2.031 2.439 . 0 0 "[ . 1 . 2]" 1
826 1 44 GLN H 1 44 GLN HB3 . . 4.180 4.029 3.954 4.075 . 0 0 "[ . 1 . 2]" 1
827 1 44 GLN H 1 44 GLN QE . . 5.250 3.416 1.964 4.375 . 0 0 "[ . 1 . 2]" 1
828 1 44 GLN H 1 44 GLN QG . . 4.400 2.870 2.666 3.132 . 0 0 "[ . 1 . 2]" 1
829 1 44 GLN H 1 45 LEU H . . 3.830 2.828 2.542 2.944 . 0 0 "[ . 1 . 2]" 1
830 1 44 GLN H 1 45 LEU MD1 . . 5.500 5.307 5.019 5.510 0.010 13 0 "[ . 1 . 2]" 1
831 1 44 GLN H 1 45 LEU MD2 . . 5.500 5.238 4.966 5.546 0.046 13 0 "[ . 1 . 2]" 1
832 1 44 GLN H 1 45 LEU HG . . 4.910 4.358 4.076 4.713 . 0 0 "[ . 1 . 2]" 1
833 1 44 GLN HA 1 44 GLN QE . . 5.500 3.765 3.143 4.116 . 0 0 "[ . 1 . 2]" 1
834 1 44 GLN HA 1 44 GLN QG . . 3.760 2.675 2.184 3.056 . 0 0 "[ . 1 . 2]" 1
835 1 44 GLN HB2 1 45 LEU HG . . 5.190 4.755 4.182 5.252 0.062 2 0 "[ . 1 . 2]" 1
836 1 45 LEU H 1 45 LEU HB2 . . 3.210 2.589 2.430 2.775 . 0 0 "[ . 1 . 2]" 1
837 1 45 LEU H 1 45 LEU MD1 . . 4.260 3.946 3.589 4.228 . 0 0 "[ . 1 . 2]" 1
838 1 45 LEU H 1 45 LEU MD2 . . 4.280 3.685 3.397 3.945 . 0 0 "[ . 1 . 2]" 1
839 1 45 LEU H 1 45 LEU HG . . 3.520 2.840 2.393 3.233 . 0 0 "[ . 1 . 2]" 1
840 1 45 LEU H 1 46 ASN H . . 4.920 4.442 4.263 4.569 . 0 0 "[ . 1 . 2]" 1
841 1 45 LEU H 1 46 ASN HA . . 5.500 5.185 4.881 5.565 0.065 12 0 "[ . 1 . 2]" 1
842 1 45 LEU HA 1 45 LEU MD1 . . 4.190 3.906 3.863 3.945 . 0 0 "[ . 1 . 2]" 1
843 1 45 LEU HA 1 45 LEU MD2 . . 2.830 2.093 2.005 2.184 . 0 0 "[ . 1 . 2]" 1
844 1 45 LEU HA 1 45 LEU HG . . 4.160 3.138 3.054 3.238 . 0 0 "[ . 1 . 2]" 1
845 1 45 LEU HA 1 46 ASN H . . 2.940 2.277 2.135 2.501 . 0 0 "[ . 1 . 2]" 1
846 1 45 LEU HB2 1 45 LEU MD1 . . 2.860 2.348 2.254 2.418 . 0 0 "[ . 1 . 2]" 1
847 1 45 LEU HB2 1 46 ASN H . . 3.680 3.683 3.391 3.759 0.079 9 0 "[ . 1 . 2]" 1
848 1 45 LEU HB3 1 46 ASN H . . 3.650 2.585 2.264 2.783 . 0 0 "[ . 1 . 2]" 1
849 1 45 LEU MD1 1 46 ASN H . . 4.740 4.587 4.350 4.818 0.078 2 0 "[ . 1 . 2]" 1
850 1 45 LEU MD2 1 46 ASN H . . 3.890 3.445 3.203 3.685 . 0 0 "[ . 1 . 2]" 1
851 1 45 LEU HG 1 46 ASN H . . 5.290 4.908 4.780 5.026 . 0 0 "[ . 1 . 2]" 1
852 1 46 ASN H 1 46 ASN HB2 . . 4.110 2.525 2.384 2.729 . 0 0 "[ . 1 . 2]" 1
853 1 46 ASN H 1 46 ASN HB3 . . 4.210 3.602 3.542 3.667 . 0 0 "[ . 1 . 2]" 1
854 1 46 ASN H 1 46 ASN HD21 . . 5.010 3.924 3.663 4.283 . 0 0 "[ . 1 . 2]" 1
855 1 46 ASN H 1 46 ASN HD22 . . 4.730 4.184 3.891 4.441 . 0 0 "[ . 1 . 2]" 1
856 1 46 ASN H 1 47 ARG H . . 5.050 4.668 4.508 4.769 . 0 0 "[ . 1 . 2]" 1
857 1 46 ASN HA 1 46 ASN HD22 . . 5.500 4.814 4.717 4.996 . 0 0 "[ . 1 . 2]" 1
858 1 46 ASN HA 1 47 ARG H . . 3.220 2.311 2.205 2.442 . 0 0 "[ . 1 . 2]" 1
859 1 46 ASN HA 1 48 GLY H . . 5.390 3.921 3.421 4.356 . 0 0 "[ . 1 . 2]" 1
860 1 46 ASN HB2 1 46 ASN HD22 . . 3.900 3.537 3.406 3.665 . 0 0 "[ . 1 . 2]" 1
861 1 46 ASN HB2 1 47 ARG H . . 4.140 4.156 3.896 4.221 0.081 18 0 "[ . 1 . 2]" 1
862 1 46 ASN HB2 1 48 GLY H . . 4.760 3.634 3.120 4.094 . 0 0 "[ . 1 . 2]" 1
863 1 46 ASN HB3 1 46 ASN HD22 . . 4.070 3.848 3.744 3.955 . 0 0 "[ . 1 . 2]" 1
864 1 46 ASN HB3 1 47 ARG H . . 3.910 3.224 2.877 3.558 . 0 0 "[ . 1 . 2]" 1
865 1 46 ASN HB3 1 48 GLY H . . 4.740 2.709 2.205 3.062 . 0 0 "[ . 1 . 2]" 1
866 1 46 ASN HD21 1 48 GLY H . . 5.500 5.277 4.589 5.571 0.071 15 0 "[ . 1 . 2]" 1
867 1 47 ARG H 1 47 ARG HB2 . . 3.690 2.286 2.022 2.571 . 0 0 "[ . 1 . 2]" 1
868 1 47 ARG H 1 47 ARG HB3 . . 4.180 3.548 3.333 3.684 . 0 0 "[ . 1 . 2]" 1
869 1 47 ARG H 1 47 ARG HD2 . . 5.470 4.875 4.121 5.553 0.083 18 0 "[ . 1 . 2]" 1
870 1 47 ARG H 1 47 ARG QD . . 5.170 4.355 3.901 4.739 . 0 0 "[ . 1 . 2]" 1
871 1 47 ARG H 1 47 ARG QG . . 3.700 2.822 2.262 3.349 . 0 0 "[ . 1 . 2]" 1
872 1 47 ARG H 1 48 GLY H . . 3.980 2.712 2.532 2.863 . 0 0 "[ . 1 . 2]" 1
873 1 47 ARG H 1 48 GLY HA2 . . 5.500 5.068 4.689 5.317 . 0 0 "[ . 1 . 2]" 1
874 1 47 ARG H 1 49 PHE H . . 4.960 3.999 3.777 4.318 . 0 0 "[ . 1 . 2]" 1
875 1 47 ARG HA 1 47 ARG QD . . 3.860 3.015 2.212 3.933 0.073 6 0 "[ . 1 . 2]" 1
876 1 47 ARG HA 1 47 ARG QG . . 3.260 2.510 2.168 2.723 . 0 0 "[ . 1 . 2]" 1
877 1 47 ARG HA 1 49 PHE H . . 5.500 4.961 4.710 5.181 . 0 0 "[ . 1 . 2]" 1
878 1 47 ARG HB2 1 47 ARG QD . . 3.800 3.161 2.255 3.609 . 0 0 "[ . 1 . 2]" 1
879 1 47 ARG HB2 1 48 GLY H . . 4.630 3.220 2.865 3.456 . 0 0 "[ . 1 . 2]" 1
880 1 47 ARG HB2 1 49 PHE H . . 4.750 3.469 3.078 3.894 . 0 0 "[ . 1 . 2]" 1
881 1 47 ARG HB2 1 49 PHE HE1 . . 4.860 4.032 3.123 4.922 0.062 8 0 "[ . 1 . 2]" 1
882 1 47 ARG HB3 1 47 ARG QD . . 3.810 2.405 2.172 2.960 . 0 0 "[ . 1 . 2]" 1
883 1 47 ARG HB3 1 48 GLY H . . 5.500 3.730 3.147 4.111 . 0 0 "[ . 1 . 2]" 1
884 1 47 ARG HB3 1 48 GLY HA3 . . 4.950 4.544 3.952 4.986 0.036 16 0 "[ . 1 . 2]" 1
885 1 47 ARG HB3 1 49 PHE H . . 5.480 3.934 3.200 4.713 . 0 0 "[ . 1 . 2]" 1
886 1 47 ARG HB3 1 49 PHE HE1 . . 4.940 4.060 3.099 4.990 0.050 16 0 "[ . 1 . 2]" 1
887 1 47 ARG QG 1 48 GLY H . . 5.410 4.550 4.294 4.737 . 0 0 "[ . 1 . 2]" 1
888 1 48 GLY H 1 49 PHE H . . 3.640 2.136 1.824 2.359 . 0 0 "[ . 1 . 2]" 1
889 1 48 GLY H 1 49 PHE HA . . 5.500 4.601 4.297 4.921 . 0 0 "[ . 1 . 2]" 1
890 1 48 GLY H 1 49 PHE HD1 . . 5.500 5.491 5.076 5.571 0.071 9 0 "[ . 1 . 2]" 1
891 1 48 GLY HA2 1 49 PHE HA . . 5.230 4.475 4.184 4.646 . 0 0 "[ . 1 . 2]" 1
892 1 49 PHE H 1 49 PHE HD1 . . 4.330 3.650 3.396 4.064 . 0 0 "[ . 1 . 2]" 1
893 1 49 PHE H 1 49 PHE HE1 . . 5.310 4.941 4.564 5.310 0.000 13 0 "[ . 1 . 2]" 1
894 1 49 PHE H 1 50 ALA H . . 5.200 4.229 4.039 4.386 . 0 0 "[ . 1 . 2]" 1
895 1 49 PHE HA 1 49 PHE HD1 . . 4.540 4.349 4.144 4.459 . 0 0 "[ . 1 . 2]" 1
896 1 49 PHE HA 1 50 ALA H . . 3.050 2.263 2.114 2.448 . 0 0 "[ . 1 . 2]" 1
897 1 49 PHE HA 1 50 ALA MB . . 4.490 4.038 3.641 4.288 . 0 0 "[ . 1 . 2]" 1
898 1 49 PHE QB 1 50 ALA H . . 3.480 3.004 2.381 3.354 . 0 0 "[ . 1 . 2]" 1
899 1 49 PHE HD1 1 50 ALA H . . 5.150 4.613 3.636 5.189 0.039 1 0 "[ . 1 . 2]" 1
900 1 50 ALA H 1 50 ALA MB . . 3.510 2.507 2.296 2.741 . 0 0 "[ . 1 . 2]" 1
901 1 50 ALA H 1 51 PHE H . . 5.050 4.460 4.314 4.561 . 0 0 "[ . 1 . 2]" 1
902 1 50 ALA HA 1 51 PHE H . . 3.000 2.231 2.115 2.449 . 0 0 "[ . 1 . 2]" 1
903 1 50 ALA HA 1 51 PHE HD2 . . 3.790 3.321 2.689 3.817 0.027 7 0 "[ . 1 . 2]" 1
904 1 50 ALA MB 1 51 PHE H . . 3.310 2.754 2.284 3.211 . 0 0 "[ . 1 . 2]" 1
905 1 50 ALA MB 1 51 PHE HD2 . . 5.500 4.471 4.017 4.825 . 0 0 "[ . 1 . 2]" 1
906 1 50 ALA MB 1 52 ILE H . . 5.500 4.293 3.653 4.860 . 0 0 "[ . 1 . 2]" 1
907 1 51 PHE H 1 51 PHE HB2 . . 3.500 2.343 2.212 2.576 . 0 0 "[ . 1 . 2]" 1
908 1 51 PHE H 1 51 PHE HB3 . . 3.680 3.558 3.486 3.707 0.027 17 0 "[ . 1 . 2]" 1
909 1 51 PHE H 1 51 PHE HD2 . . 4.340 2.756 2.560 3.247 . 0 0 "[ . 1 . 2]" 1
910 1 51 PHE H 1 52 ILE H . . 5.000 4.158 3.544 4.506 . 0 0 "[ . 1 . 2]" 1
911 1 51 PHE H 1 52 ILE MD . . 4.540 4.384 3.978 4.614 0.074 19 0 "[ . 1 . 2]" 1
912 1 51 PHE HA 1 51 PHE HD2 . . 4.090 3.102 2.961 3.276 . 0 0 "[ . 1 . 2]" 1
913 1 51 PHE HA 1 52 ILE H . . 2.890 2.187 2.002 2.359 . 0 0 "[ . 1 . 2]" 1
914 1 51 PHE HA 1 52 ILE HB . . 4.730 4.630 4.319 4.758 0.028 2 0 "[ . 1 . 2]" 1
915 1 51 PHE HB3 1 51 PHE HE1 . . 4.920 4.643 4.605 4.683 . 0 0 "[ . 1 . 2]" 1
916 1 51 PHE HB3 1 52 ILE H . . 4.270 3.643 2.853 4.258 . 0 0 "[ . 1 . 2]" 1
917 1 51 PHE HD2 1 52 ILE H . . 5.090 5.146 4.985 5.185 0.095 9 0 "[ . 1 . 2]" 1
918 1 52 ILE H 1 52 ILE HB . . 3.490 2.570 2.427 2.785 . 0 0 "[ . 1 . 2]" 1
919 1 52 ILE H 1 52 ILE MD . . 4.320 3.671 3.319 3.979 . 0 0 "[ . 1 . 2]" 1
920 1 52 ILE H 1 52 ILE HG12 . . 4.260 2.655 2.288 3.065 . 0 0 "[ . 1 . 2]" 1
921 1 52 ILE H 1 52 ILE HG13 . . 4.130 3.981 3.638 4.307 0.177 18 0 "[ . 1 . 2]" 1
922 1 52 ILE H 1 52 ILE MG . . 4.520 3.866 3.774 3.948 . 0 0 "[ . 1 . 2]" 1
923 1 52 ILE H 1 53 GLN H . . 4.990 4.417 3.879 4.720 . 0 0 "[ . 1 . 2]" 1
924 1 52 ILE HA 1 52 ILE MD . . 3.120 2.187 2.097 2.326 . 0 0 "[ . 1 . 2]" 1
925 1 52 ILE HA 1 52 ILE HG12 . . 3.990 3.170 3.018 3.310 . 0 0 "[ . 1 . 2]" 1
926 1 52 ILE HA 1 52 ILE HG13 . . 4.080 3.821 3.737 3.903 . 0 0 "[ . 1 . 2]" 1
927 1 52 ILE HA 1 52 ILE MG . . 3.690 2.459 2.329 2.645 . 0 0 "[ . 1 . 2]" 1
928 1 52 ILE HA 1 53 GLN H . . 2.920 2.265 2.057 2.552 . 0 0 "[ . 1 . 2]" 1
929 1 52 ILE HB 1 52 ILE MD . . 3.230 3.273 3.242 3.296 0.066 1 0 "[ . 1 . 2]" 1
930 1 52 ILE MD 1 53 GLN H . . 3.890 3.891 3.607 3.991 0.101 2 0 "[ . 1 . 2]" 1
931 1 52 ILE HG12 1 52 ILE MG . . 3.200 3.224 3.180 3.251 0.051 16 0 "[ . 1 . 2]" 1
932 1 52 ILE HG13 1 52 ILE MG . . 3.220 2.316 2.219 2.420 . 0 0 "[ . 1 . 2]" 1
933 1 53 GLN H 1 53 GLN HB2 . . 3.660 2.570 2.111 3.193 . 0 0 "[ . 1 . 2]" 1
934 1 53 GLN H 1 53 GLN HB3 . . 3.590 2.721 2.166 3.673 0.083 2 0 "[ . 1 . 2]" 1
935 1 53 GLN H 1 53 GLN HE21 . . 5.500 5.349 4.643 5.581 0.081 20 0 "[ . 1 . 2]" 1
936 1 53 GLN H 1 53 GLN QG . . 4.380 3.876 2.769 4.170 . 0 0 "[ . 1 . 2]" 1
937 1 53 GLN H 1 54 LEU H . . 4.610 4.412 3.754 4.656 0.046 3 0 "[ . 1 . 2]" 1
938 1 53 GLN HA 1 53 GLN HE21 . . 5.500 2.978 1.852 3.754 . 0 0 "[ . 1 . 2]" 1
939 1 53 GLN HA 1 53 GLN HE22 . . 5.500 4.285 3.457 5.235 . 0 0 "[ . 1 . 2]" 1
940 1 53 GLN HA 1 53 GLN QG . . 3.330 2.478 2.060 2.821 . 0 0 "[ . 1 . 2]" 1
941 1 53 GLN HA 1 54 LEU H . . 2.890 2.268 2.042 2.437 . 0 0 "[ . 1 . 2]" 1
942 1 53 GLN HA 1 54 LEU HB2 . . 5.130 4.244 3.979 4.730 . 0 0 "[ . 1 . 2]" 1
943 1 53 GLN HA 1 54 LEU QD . . 3.960 3.693 3.006 3.980 0.020 18 0 "[ . 1 . 2]" 1
944 1 53 GLN HB2 1 53 GLN HE22 . . 5.500 4.212 3.543 5.272 . 0 0 "[ . 1 . 2]" 1
945 1 53 GLN HB2 1 54 LEU H . . 4.560 4.217 3.550 4.626 0.066 19 0 "[ . 1 . 2]" 1
946 1 53 GLN HE21 1 54 LEU H . . 5.150 3.372 2.501 4.225 . 0 0 "[ . 1 . 2]" 1
947 1 53 GLN HE22 1 54 LEU H . . 5.500 4.924 4.016 5.579 0.079 5 0 "[ . 1 . 2]" 1
948 1 53 GLN QG 1 54 LEU H . . 3.620 2.704 1.922 3.615 . 0 0 "[ . 1 . 2]" 1
949 1 54 LEU H 1 54 LEU HB2 . . 3.680 2.294 2.008 2.622 . 0 0 "[ . 1 . 2]" 1
950 1 54 LEU H 1 54 LEU QD . . 3.400 2.932 2.257 3.366 . 0 0 "[ . 1 . 2]" 1
951 1 54 LEU H 1 56 THR H . . 5.500 5.113 4.834 5.453 . 0 0 "[ . 1 . 2]" 1
952 1 54 LEU HA 1 54 LEU QD . . 3.050 2.004 1.880 2.514 . 0 0 "[ . 1 . 2]" 1
953 1 54 LEU HA 1 54 LEU HG . . 4.110 3.583 1.922 3.797 . 0 0 "[ . 1 . 2]" 1
954 1 54 LEU HA 1 55 SER H . . 3.340 2.511 2.214 2.671 . 0 0 "[ . 1 . 2]" 1
955 1 54 LEU HB2 1 54 LEU QD . . 3.250 2.347 2.241 2.485 . 0 0 "[ . 1 . 2]" 1
956 1 54 LEU HB2 1 54 LEU HG . . 3.000 2.436 2.362 2.869 . 0 0 "[ . 1 . 2]" 1
957 1 54 LEU HB2 1 55 SER H . . 3.820 3.824 3.571 3.901 0.081 14 0 "[ . 1 . 2]" 1
958 1 54 LEU HB2 1 56 THR H . . 4.050 3.766 3.022 4.124 0.074 20 0 "[ . 1 . 2]" 1
959 1 54 LEU HB3 1 55 SER H . . 3.280 2.454 2.220 2.586 . 0 0 "[ . 1 . 2]" 1
960 1 54 LEU HB3 1 56 THR H . . 3.200 2.351 2.119 2.701 . 0 0 "[ . 1 . 2]" 1
961 1 54 LEU HB3 1 60 ALA H . . 4.770 3.729 2.354 4.316 . 0 0 "[ . 1 . 2]" 1
962 1 54 LEU HB3 1 60 ALA HA . . 4.850 4.422 3.755 4.926 0.076 3 0 "[ . 1 . 2]" 1
963 1 54 LEU QD 1 55 SER H . . 3.940 2.318 1.678 3.194 . 0 0 "[ . 1 . 2]" 1
964 1 54 LEU QD 1 56 THR H . . 4.870 3.354 2.627 4.245 . 0 0 "[ . 1 . 2]" 1
965 1 54 LEU QD 1 59 GLU QB . . 3.110 2.082 1.839 2.581 . 0 0 "[ . 1 . 2]" 1
966 1 54 LEU QD 1 59 GLU QG . . 4.040 3.322 2.194 4.036 . 0 0 "[ . 1 . 2]" 1
967 1 54 LEU QD 1 60 ALA H . . 4.450 3.712 2.269 4.180 . 0 0 "[ . 1 . 2]" 1
968 1 54 LEU QD 1 60 ALA HA . . 3.210 2.832 1.864 3.203 . 0 0 "[ . 1 . 2]" 1
969 1 54 LEU QD 1 60 ALA MB . . 4.600 2.926 2.063 3.679 . 0 0 "[ . 1 . 2]" 1
970 1 54 LEU HG 1 55 SER H . . 4.640 4.095 2.884 4.529 . 0 0 "[ . 1 . 2]" 1
971 1 54 LEU HG 1 56 THR H . . 4.630 4.324 3.709 4.688 0.058 17 0 "[ . 1 . 2]" 1
972 1 54 LEU HG 1 59 GLU QG . . 4.900 4.760 3.647 5.012 0.112 5 0 "[ . 1 . 2]" 1
973 1 54 LEU HG 1 60 ALA H . . 3.560 3.213 2.741 3.654 0.094 5 0 "[ . 1 . 2]" 1
974 1 54 LEU HG 1 60 ALA HA . . 3.430 2.458 2.042 3.539 0.109 5 0 "[ . 1 . 2]" 1
975 1 55 SER H 1 55 SER QB . . 3.500 2.437 2.110 2.955 . 0 0 "[ . 1 . 2]" 1
976 1 55 SER H 1 56 THR H . . 3.400 2.689 2.313 2.909 . 0 0 "[ . 1 . 2]" 1
977 1 55 SER H 1 59 GLU QG . . 5.050 4.033 2.564 4.948 . 0 0 "[ . 1 . 2]" 1
978 1 55 SER QB 1 56 THR H . . 3.660 2.691 2.216 3.135 . 0 0 "[ . 1 . 2]" 1
979 1 55 SER QB 1 56 THR MG . . 4.090 3.343 2.429 4.043 . 0 0 "[ . 1 . 2]" 1
980 1 56 THR H 1 56 THR MG . . 3.900 3.518 2.542 3.962 0.062 11 0 "[ . 1 . 2]" 1
981 1 56 THR H 1 57 ILE H . . 5.500 4.379 4.255 4.507 . 0 0 "[ . 1 . 2]" 1
982 1 56 THR H 1 58 VAL H . . 5.500 4.758 4.073 5.149 . 0 0 "[ . 1 . 2]" 1
983 1 56 THR H 1 59 GLU H . . 4.010 3.586 3.097 4.072 0.062 20 0 "[ . 1 . 2]" 1
984 1 56 THR H 1 59 GLU QB . . 3.380 2.562 2.075 3.497 0.117 18 0 "[ . 1 . 2]" 1
985 1 56 THR H 1 59 GLU QG . . 4.220 3.215 1.664 4.188 . 0 0 "[ . 1 . 2]" 1
986 1 56 THR H 1 60 ALA H . . 5.410 4.249 3.637 5.022 . 0 0 "[ . 1 . 2]" 1
987 1 56 THR HA 1 56 THR HB . . 2.840 2.638 2.150 2.923 0.083 14 0 "[ . 1 . 2]" 1
988 1 56 THR HA 1 56 THR MG . . 3.170 2.312 2.112 3.233 0.063 16 0 "[ . 1 . 2]" 1
989 1 56 THR HA 1 57 ILE H . . 3.070 2.404 2.213 2.781 . 0 0 "[ . 1 . 2]" 1
990 1 56 THR HA 1 57 ILE MG . . 5.060 3.772 3.569 4.020 . 0 0 "[ . 1 . 2]" 1
991 1 56 THR HA 1 58 VAL H . . 4.880 4.204 3.823 4.571 . 0 0 "[ . 1 . 2]" 1
992 1 56 THR HB 1 57 ILE H . . 4.330 2.660 2.149 3.347 . 0 0 "[ . 1 . 2]" 1
993 1 56 THR HB 1 57 ILE HA . . 5.300 4.700 4.275 5.411 0.111 16 0 "[ . 1 . 2]" 1
994 1 56 THR HB 1 58 VAL H . . 4.410 2.538 2.094 3.980 . 0 0 "[ . 1 . 2]" 1
995 1 56 THR HB 1 58 VAL HB . . 4.870 3.553 2.751 4.939 0.069 16 0 "[ . 1 . 2]" 1
996 1 56 THR HB 1 58 VAL MG2 . . 4.410 3.096 2.237 4.469 0.059 16 0 "[ . 1 . 2]" 1
997 1 56 THR HB 1 59 GLU H . . 4.720 3.421 2.457 4.671 . 0 0 "[ . 1 . 2]" 1
998 1 56 THR MG 1 58 VAL H . . 4.050 3.776 2.910 4.157 0.107 15 0 "[ . 1 . 2]" 1
999 1 56 THR MG 1 58 VAL HB . . 5.390 4.180 2.748 5.253 . 0 0 "[ . 1 . 2]" 1
1000 1 56 THR MG 1 58 VAL MG2 . . 3.700 3.621 3.011 3.820 0.120 18 0 "[ . 1 . 2]" 1
1001 1 56 THR MG 1 59 GLU QG . . 5.000 3.998 2.045 5.091 0.091 17 0 "[ . 1 . 2]" 1
1002 1 57 ILE H 1 57 ILE HB . . 3.660 3.606 3.550 3.698 0.038 20 0 "[ . 1 . 2]" 1
1003 1 57 ILE H 1 57 ILE MD . . 4.360 3.892 3.661 4.071 . 0 0 "[ . 1 . 2]" 1
1004 1 57 ILE H 1 57 ILE HG12 . . 3.910 3.164 2.408 3.592 . 0 0 "[ . 1 . 2]" 1
1005 1 57 ILE H 1 57 ILE HG13 . . 3.990 2.448 2.088 3.197 . 0 0 "[ . 1 . 2]" 1
1006 1 57 ILE H 1 57 ILE MG . . 3.350 2.140 1.943 2.643 . 0 0 "[ . 1 . 2]" 1
1007 1 57 ILE H 1 58 VAL H . . 4.210 2.753 2.069 3.048 . 0 0 "[ . 1 . 2]" 1
1008 1 57 ILE H 1 58 VAL HA . . 5.500 5.361 4.818 5.564 0.064 14 0 "[ . 1 . 2]" 1
1009 1 57 ILE H 1 58 VAL MG2 . . 4.700 3.823 2.969 4.204 . 0 0 "[ . 1 . 2]" 1
1010 1 57 ILE H 1 59 GLU H . . 5.500 4.473 3.950 4.943 . 0 0 "[ . 1 . 2]" 1
1011 1 57 ILE HA 1 57 ILE MD . . 4.510 3.838 3.712 4.194 . 0 0 "[ . 1 . 2]" 1
1012 1 57 ILE HA 1 57 ILE HG13 . . 4.000 3.716 3.615 3.813 . 0 0 "[ . 1 . 2]" 1
1013 1 57 ILE HA 1 57 ILE MG . . 3.500 2.334 2.194 2.418 . 0 0 "[ . 1 . 2]" 1
1014 1 57 ILE HA 1 58 VAL MG2 . . 4.880 4.827 4.614 4.952 0.072 17 0 "[ . 1 . 2]" 1
1015 1 57 ILE HA 1 60 ALA H . . 4.860 3.576 2.901 4.476 . 0 0 "[ . 1 . 2]" 1
1016 1 57 ILE HA 1 60 ALA MB . . 4.040 2.893 2.206 3.776 . 0 0 "[ . 1 . 2]" 1
1017 1 57 ILE HB 1 57 ILE MD . . 3.250 2.241 2.184 2.279 . 0 0 "[ . 1 . 2]" 1
1018 1 57 ILE HB 1 58 VAL H . . 3.860 3.900 3.602 3.941 0.081 20 0 "[ . 1 . 2]" 1
1019 1 57 ILE HB 1 58 VAL HA . . 5.410 4.595 4.164 4.825 . 0 0 "[ . 1 . 2]" 1
1020 1 57 ILE MD 1 58 VAL H . . 4.780 3.044 2.732 3.946 . 0 0 "[ . 1 . 2]" 1
1021 1 57 ILE MD 1 58 VAL HA . . 3.890 2.930 2.374 3.987 0.097 16 0 "[ . 1 . 2]" 1
1022 1 57 ILE MD 1 58 VAL MG2 . . 3.070 2.344 2.049 3.164 0.094 17 0 "[ . 1 . 2]" 1
1023 1 57 ILE HG12 1 57 ILE MG . . 3.610 2.164 2.094 2.199 . 0 0 "[ . 1 . 2]" 1
1024 1 57 ILE HG12 1 58 VAL H . . 4.580 3.901 3.189 4.228 . 0 0 "[ . 1 . 2]" 1
1025 1 57 ILE HG12 1 58 VAL MG2 . . 4.290 3.687 3.000 4.146 . 0 0 "[ . 1 . 2]" 1
1026 1 57 ILE HG13 1 57 ILE MG . . 3.030 2.830 2.504 3.200 0.170 16 0 "[ . 1 . 2]" 1
1027 1 57 ILE HG13 1 58 VAL H . . 4.870 2.286 2.052 2.595 . 0 0 "[ . 1 . 2]" 1
1028 1 57 ILE MG 1 58 VAL H . . 4.000 4.000 3.670 4.105 0.105 17 0 "[ . 1 . 2]" 1
1029 1 58 VAL H 1 58 VAL HB . . 3.070 2.615 2.476 2.875 . 0 0 "[ . 1 . 2]" 1
1030 1 58 VAL H 1 58 VAL MG1 . . 4.010 3.755 3.705 3.844 . 0 0 "[ . 1 . 2]" 1
1031 1 58 VAL H 1 58 VAL MG2 . . 3.070 1.992 1.886 2.347 . 0 0 "[ . 1 . 2]" 1
1032 1 58 VAL H 1 59 GLU H . . 3.670 2.679 2.452 2.914 . 0 0 "[ . 1 . 2]" 1
1033 1 58 VAL H 1 59 GLU QG . . 5.500 4.520 3.442 5.530 0.030 13 0 "[ . 1 . 2]" 1
1034 1 58 VAL HA 1 58 VAL MG1 . . 3.250 2.345 2.222 2.450 . 0 0 "[ . 1 . 2]" 1
1035 1 58 VAL HA 1 58 VAL MG2 . . 3.120 2.508 2.336 2.737 . 0 0 "[ . 1 . 2]" 1
1036 1 58 VAL HA 1 61 ALA MB . . 3.950 3.594 2.931 4.064 0.114 11 0 "[ . 1 . 2]" 1
1037 1 58 VAL HA 1 62 GLN H . . 5.500 4.597 3.829 5.428 . 0 0 "[ . 1 . 2]" 1
1038 1 58 VAL HB 1 59 GLU H . . 3.330 2.640 2.197 3.043 . 0 0 "[ . 1 . 2]" 1
1039 1 58 VAL MG1 1 59 GLU H . . 3.780 3.669 3.232 3.877 0.097 11 0 "[ . 1 . 2]" 1
1040 1 58 VAL MG1 1 62 GLN H . . 5.110 4.437 3.748 5.059 . 0 0 "[ . 1 . 2]" 1
1041 1 58 VAL MG1 1 62 GLN HE21 . . 4.760 2.557 2.126 3.376 . 0 0 "[ . 1 . 2]" 1
1042 1 58 VAL MG1 1 62 GLN HE22 . . 4.590 2.952 1.870 3.969 . 0 0 "[ . 1 . 2]" 1
1043 1 58 VAL MG1 1 62 GLN HG3 . . 4.240 4.240 3.016 5.234 0.994 11 5 "[- ** 1+ . * 2]" 1
1044 1 58 VAL MG2 1 59 GLU H . . 4.050 3.753 3.418 4.027 . 0 0 "[ . 1 . 2]" 1
1045 1 59 GLU H 1 59 GLU QB . . 3.020 2.386 1.961 2.829 . 0 0 "[ . 1 . 2]" 1
1046 1 59 GLU H 1 59 GLU QG . . 3.300 2.473 1.818 3.382 0.082 20 0 "[ . 1 . 2]" 1
1047 1 59 GLU HA 1 59 GLU QB . . 2.790 2.386 2.104 2.571 . 0 0 "[ . 1 . 2]" 1
1048 1 59 GLU HA 1 59 GLU QG . . 3.130 2.700 2.142 3.255 0.125 18 0 "[ . 1 . 2]" 1
1049 1 59 GLU HA 1 63 LEU MD1 . . 4.020 3.221 2.283 4.772 0.752 12 1 "[ . 1 + . 2]" 1
1050 1 59 GLU QB 1 59 GLU QG . . 2.480 2.028 1.925 2.127 . 0 0 "[ . 1 . 2]" 1
1051 1 59 GLU QB 1 60 ALA H . . 3.840 2.858 2.288 3.411 . 0 0 "[ . 1 . 2]" 1
1052 1 59 GLU QG 1 60 ALA H . . 4.980 4.172 2.303 4.786 . 0 0 "[ . 1 . 2]" 1
1053 1 60 ALA H 1 61 ALA H . . 4.320 3.039 2.423 4.402 0.082 11 0 "[ . 1 . 2]" 1
1054 1 60 ALA H 1 62 GLN H . . 5.500 4.332 3.634 4.891 . 0 0 "[ . 1 . 2]" 1
1055 1 60 ALA H 1 62 GLN HE21 . . 5.500 4.931 4.469 5.527 0.027 6 0 "[ . 1 . 2]" 1
1056 1 60 ALA HA 1 63 LEU HB2 . . 4.460 3.440 2.688 4.981 0.521 19 1 "[ . 1 . +2]" 1
1057 1 60 ALA HA 1 63 LEU HB3 . . 4.930 4.560 4.072 4.993 0.063 12 0 "[ . 1 . 2]" 1
1058 1 60 ALA HA 1 85 PHE HD2 . . 5.500 5.518 5.229 5.596 0.096 5 0 "[ . 1 . 2]" 1
1059 1 60 ALA MB 1 85 PHE HD2 . . 4.360 3.526 3.134 4.114 . 0 0 "[ . 1 . 2]" 1
1060 1 61 ALA H 1 61 ALA MB . . 3.420 2.358 2.151 3.038 . 0 0 "[ . 1 . 2]" 1
1061 1 61 ALA H 1 62 GLN H . . 3.820 2.674 2.133 3.884 0.064 7 0 "[ . 1 . 2]" 1
1062 1 61 ALA HA 1 64 LEU H . . 4.270 3.695 3.399 4.346 0.076 17 0 "[ . 1 . 2]" 1
1063 1 61 ALA HA 1 64 LEU HB2 . . 4.010 3.336 2.810 4.069 0.059 19 0 "[ . 1 . 2]" 1
1064 1 61 ALA HA 1 64 LEU HB3 . . 4.070 3.128 2.382 4.150 0.080 20 0 "[ . 1 . 2]" 1
1065 1 61 ALA HA 1 85 PHE HE1 . . 4.080 3.768 2.368 4.158 0.078 6 0 "[ . 1 . 2]" 1
1066 1 61 ALA MB 1 62 GLN H . . 3.620 2.637 2.085 3.168 . 0 0 "[ . 1 . 2]" 1
1067 1 61 ALA MB 1 85 PHE HE1 . . 4.010 3.764 2.624 4.106 0.096 7 0 "[ . 1 . 2]" 1
1068 1 62 GLN H 1 62 GLN HB2 . . 3.270 2.305 2.140 2.518 . 0 0 "[ . 1 . 2]" 1
1069 1 62 GLN H 1 62 GLN HE21 . . 5.500 2.764 2.049 3.899 . 0 0 "[ . 1 . 2]" 1
1070 1 62 GLN H 1 62 GLN HE22 . . 5.500 3.669 2.593 4.957 . 0 0 "[ . 1 . 2]" 1
1071 1 62 GLN H 1 62 GLN HG2 . . 4.200 3.974 3.722 4.267 0.067 20 0 "[ . 1 . 2]" 1
1072 1 62 GLN H 1 62 GLN HG3 . . 3.900 3.424 2.398 4.271 0.371 12 0 "[ . 1 . 2]" 1
1073 1 62 GLN H 1 63 LEU H . . 3.630 2.746 2.327 3.065 . 0 0 "[ . 1 . 2]" 1
1074 1 62 GLN HA 1 62 GLN HB3 . . 2.800 2.592 2.493 2.736 . 0 0 "[ . 1 . 2]" 1
1075 1 62 GLN HA 1 62 GLN HE21 . . 5.150 4.239 3.576 4.840 . 0 0 "[ . 1 . 2]" 1
1076 1 62 GLN HA 1 62 GLN HE22 . . 5.380 4.881 3.533 5.474 0.094 7 0 "[ . 1 . 2]" 1
1077 1 62 GLN HA 1 62 GLN HG2 . . 3.330 3.136 2.381 3.735 0.405 8 0 "[ . 1 . 2]" 1
1078 1 62 GLN HA 1 62 GLN HG3 . . 3.690 2.534 2.177 2.779 . 0 0 "[ . 1 . 2]" 1
1079 1 62 GLN HB2 1 62 GLN HE22 . . 5.070 3.450 2.900 4.012 . 0 0 "[ . 1 . 2]" 1
1080 1 62 GLN HB2 1 62 GLN HG3 . . 2.940 2.862 2.553 3.068 0.128 4 0 "[ . 1 . 2]" 1
1081 1 62 GLN HB2 1 63 LEU H . . 3.480 2.523 2.291 2.922 . 0 0 "[ . 1 . 2]" 1
1082 1 62 GLN HB2 1 63 LEU MD1 . . 4.880 3.371 2.834 4.554 . 0 0 "[ . 1 . 2]" 1
1083 1 62 GLN HB3 1 63 LEU H . . 3.620 3.168 2.931 3.494 . 0 0 "[ . 1 . 2]" 1
1084 1 62 GLN HB3 1 66 ILE MD . . 4.430 2.273 2.025 2.726 . 0 0 "[ . 1 . 2]" 1
1085 1 62 GLN HE22 1 63 LEU H . . 5.130 5.355 5.123 5.685 0.555 18 5 "[* . 1 * * +-2]" 1
1086 1 62 GLN HG2 1 66 ILE MD . . 4.140 3.636 2.291 4.403 0.263 12 0 "[ . 1 . 2]" 1
1087 1 62 GLN HG3 1 63 LEU H . . 5.120 4.822 4.424 5.253 0.133 18 0 "[ . 1 . 2]" 1
1088 1 62 GLN HG3 1 66 ILE MD . . 4.300 3.980 3.304 4.407 0.107 7 0 "[ . 1 . 2]" 1
1089 1 63 LEU H 1 63 LEU HB2 . . 3.560 2.263 2.042 2.384 . 0 0 "[ . 1 . 2]" 1
1090 1 63 LEU H 1 63 LEU HB3 . . 3.510 3.474 3.081 3.583 0.073 9 0 "[ . 1 . 2]" 1
1091 1 63 LEU H 1 63 LEU MD1 . . 4.360 2.556 2.105 3.410 . 0 0 "[ . 1 . 2]" 1
1092 1 63 LEU H 1 63 LEU HG . . 4.070 3.968 3.624 4.156 0.086 8 0 "[ . 1 . 2]" 1
1093 1 63 LEU H 1 64 LEU H . . 3.620 2.885 2.710 3.159 . 0 0 "[ . 1 . 2]" 1
1094 1 63 LEU H 1 64 LEU HB2 . . 5.210 4.938 4.669 5.100 . 0 0 "[ . 1 . 2]" 1
1095 1 63 LEU HA 1 63 LEU MD1 . . 2.900 2.609 1.975 2.973 0.073 13 0 "[ . 1 . 2]" 1
1096 1 63 LEU HA 1 63 LEU HG . . 3.740 2.323 2.110 3.530 . 0 0 "[ . 1 . 2]" 1
1097 1 63 LEU HA 1 66 ILE H . . 4.010 3.401 3.022 3.904 . 0 0 "[ . 1 . 2]" 1
1098 1 63 LEU HA 1 66 ILE HB . . 3.350 2.569 2.233 3.043 . 0 0 "[ . 1 . 2]" 1
1099 1 63 LEU HA 1 66 ILE MD . . 3.520 2.698 2.171 3.588 0.068 15 0 "[ . 1 . 2]" 1
1100 1 63 LEU HA 1 66 ILE QG . . 5.270 3.773 3.187 4.406 . 0 0 "[ . 1 . 2]" 1
1101 1 63 LEU HA 1 66 ILE MG . . 4.190 4.023 3.678 4.288 0.098 15 0 "[ . 1 . 2]" 1
1102 1 63 LEU HA 1 67 LEU H . . 4.040 3.383 2.926 3.820 . 0 0 "[ . 1 . 2]" 1
1103 1 63 LEU HA 1 67 LEU HG . . 4.230 3.428 2.348 4.231 0.001 5 0 "[ . 1 . 2]" 1
1104 1 63 LEU HB2 1 63 LEU MD1 . . 3.490 2.399 2.135 3.289 . 0 0 "[ . 1 . 2]" 1
1105 1 63 LEU HB2 1 64 LEU H . . 3.970 3.166 2.758 3.979 0.009 19 0 "[ . 1 . 2]" 1
1106 1 63 LEU HB3 1 63 LEU MD1 . . 3.230 3.181 2.682 3.262 0.032 3 0 "[ . 1 . 2]" 1
1107 1 63 LEU HG 1 67 LEU MD2 . . 2.890 2.378 2.093 2.957 0.067 7 0 "[ . 1 . 2]" 1
1108 1 64 LEU H 1 64 LEU HB2 . . 3.410 2.294 1.971 2.577 . 0 0 "[ . 1 . 2]" 1
1109 1 64 LEU H 1 64 LEU HB3 . . 3.460 2.701 2.380 3.198 . 0 0 "[ . 1 . 2]" 1
1110 1 64 LEU H 1 64 LEU QD . . 3.980 3.618 3.418 3.720 . 0 0 "[ . 1 . 2]" 1
1111 1 64 LEU HA 1 64 LEU QD . . 3.410 2.192 1.976 2.633 . 0 0 "[ . 1 . 2]" 1
1112 1 64 LEU HA 1 67 LEU HB2 . . 4.400 3.833 3.048 4.429 0.029 19 0 "[ . 1 . 2]" 1
1113 1 64 LEU HA 1 67 LEU HG . . 4.050 4.002 3.030 4.152 0.102 14 0 "[ . 1 . 2]" 1
1114 1 64 LEU HA 1 68 GLN H . . 5.240 4.491 3.887 5.053 . 0 0 "[ . 1 . 2]" 1
1115 1 64 LEU HA 1 83 VAL QG . . 4.620 3.443 2.469 4.231 . 0 0 "[ . 1 . 2]" 1
1116 1 64 LEU HB3 1 68 GLN QE . . 5.500 4.952 3.881 5.368 . 0 0 "[ . 1 . 2]" 1
1117 1 64 LEU QD 1 65 GLN HA . . 5.500 3.768 2.896 4.875 . 0 0 "[ . 1 . 2]" 1
1118 1 64 LEU QD 1 68 GLN H . . 5.500 4.685 3.842 5.422 . 0 0 "[ . 1 . 2]" 1
1119 1 64 LEU QD 1 68 GLN QE . . 5.420 2.652 1.966 3.839 . 0 0 "[ . 1 . 2]" 1
1120 1 64 LEU QD 1 68 GLN QG . . 5.500 4.051 2.195 5.127 . 0 0 "[ . 1 . 2]" 1
1121 1 64 LEU QD 1 83 VAL H . . 5.500 4.422 4.126 4.881 . 0 0 "[ . 1 . 2]" 1
1122 1 64 LEU QD 1 83 VAL HB . . 4.040 2.371 1.865 3.700 . 0 0 "[ . 1 . 2]" 1
1123 1 64 LEU QD 1 83 VAL QG . . 3.880 2.320 1.766 3.325 . 0 0 "[ . 1 . 2]" 1
1124 1 64 LEU QD 1 84 GLU H . . 5.500 3.723 3.246 4.490 . 0 0 "[ . 1 . 2]" 1
1125 1 64 LEU QD 1 84 GLU HA . . 3.620 3.327 2.666 3.676 0.056 20 0 "[ . 1 . 2]" 1
1126 1 64 LEU QD 1 84 GLU HB2 . . 5.500 4.998 4.619 5.449 . 0 0 "[ . 1 . 2]" 1
1127 1 64 LEU QD 1 85 PHE HA . . 4.210 3.506 2.566 4.202 . 0 0 "[ . 1 . 2]" 1
1128 1 64 LEU QD 1 85 PHE HB2 . . 5.500 4.039 2.109 5.281 . 0 0 "[ . 1 . 2]" 1
1129 1 64 LEU QD 1 85 PHE HB3 . . 5.500 4.708 3.426 5.445 . 0 0 "[ . 1 . 2]" 1
1130 1 64 LEU QD 1 85 PHE HE1 . . 5.500 3.741 2.611 5.026 . 0 0 "[ . 1 . 2]" 1
1131 1 65 GLN H 1 65 GLN HG3 . . 4.820 3.106 2.699 3.806 . 0 0 "[ . 1 . 2]" 1
1132 1 65 GLN H 1 67 LEU MD2 . . 5.500 5.395 4.638 5.606 0.106 19 0 "[ . 1 . 2]" 1
1133 1 65 GLN HA 1 65 GLN HG2 . . 3.870 3.817 3.633 3.940 0.070 17 0 "[ . 1 . 2]" 1
1134 1 65 GLN HA 1 68 GLN QE . . 5.040 3.687 2.337 4.975 . 0 0 "[ . 1 . 2]" 1
1135 1 65 GLN HB3 1 66 ILE H . . 5.170 4.214 4.048 4.624 . 0 0 "[ . 1 . 2]" 1
1136 1 65 GLN HG2 1 66 ILE H . . 5.500 3.147 2.503 4.465 . 0 0 "[ . 1 . 2]" 1
1137 1 65 GLN HG3 1 66 ILE QG . . 2.560 2.515 2.180 3.511 0.951 12 1 "[ . 1 + . 2]" 1
1138 1 66 ILE H 1 66 ILE HB . . 3.050 2.550 2.451 2.655 . 0 0 "[ . 1 . 2]" 1
1139 1 66 ILE H 1 66 ILE MD . . 3.880 3.454 3.283 3.929 0.049 1 0 "[ . 1 . 2]" 1
1140 1 66 ILE H 1 66 ILE QG . . 3.430 2.228 2.009 2.803 . 0 0 "[ . 1 . 2]" 1
1141 1 66 ILE H 1 66 ILE MG . . 3.800 3.818 3.761 3.872 0.072 1 0 "[ . 1 . 2]" 1
1142 1 66 ILE H 1 67 LEU H . . 3.540 2.675 2.004 3.049 . 0 0 "[ . 1 . 2]" 1
1143 1 66 ILE H 1 68 GLN H . . 5.180 4.260 3.340 4.607 . 0 0 "[ . 1 . 2]" 1
1144 1 66 ILE H 1 69 ALA H . . 5.500 4.927 4.024 5.553 0.053 14 0 "[ . 1 . 2]" 1
1145 1 66 ILE HA 1 66 ILE MD . . 3.950 3.944 3.904 3.977 0.027 11 0 "[ . 1 . 2]" 1
1146 1 66 ILE HA 1 66 ILE QG . . 3.600 2.506 2.455 2.574 . 0 0 "[ . 1 . 2]" 1
1147 1 66 ILE HA 1 66 ILE MG . . 3.230 2.442 2.403 2.515 . 0 0 "[ . 1 . 2]" 1
1148 1 66 ILE HA 1 67 LEU MD2 . . 5.500 4.519 4.346 4.713 . 0 0 "[ . 1 . 2]" 1
1149 1 66 ILE HA 1 69 ALA H . . 4.450 3.618 3.145 4.010 . 0 0 "[ . 1 . 2]" 1
1150 1 66 ILE HA 1 69 ALA MB . . 3.580 2.885 2.282 3.652 0.072 14 0 "[ . 1 . 2]" 1
1151 1 66 ILE HA 1 70 LEU H . . 5.500 5.063 4.527 5.547 0.047 17 0 "[ . 1 . 2]" 1
1152 1 66 ILE HB 1 66 ILE MD . . 3.440 2.327 2.214 2.420 . 0 0 "[ . 1 . 2]" 1
1153 1 66 ILE HB 1 67 LEU H . . 3.010 2.604 2.395 2.925 . 0 0 "[ . 1 . 2]" 1
1154 1 66 ILE HB 1 67 LEU MD2 . . 2.930 2.537 2.279 2.817 . 0 0 "[ . 1 . 2]" 1
1155 1 66 ILE MD 1 66 ILE MG . . 2.960 2.143 2.085 2.246 . 0 0 "[ . 1 . 2]" 1
1156 1 66 ILE MD 1 67 LEU H . . 4.690 4.436 4.198 4.704 0.014 20 0 "[ . 1 . 2]" 1
1157 1 66 ILE QG 1 66 ILE MG . . 3.310 2.278 2.207 2.372 . 0 0 "[ . 1 . 2]" 1
1158 1 66 ILE QG 1 67 LEU H . . 4.870 4.128 3.988 4.224 . 0 0 "[ . 1 . 2]" 1
1159 1 66 ILE MG 1 67 LEU H . . 3.760 3.459 3.252 3.731 . 0 0 "[ . 1 . 2]" 1
1160 1 66 ILE MG 1 69 ALA MB . . 4.330 3.671 3.336 4.330 . 0 0 "[ . 1 . 2]" 1
1161 1 67 LEU H 1 67 LEU HB2 . . 3.450 2.608 2.267 2.891 . 0 0 "[ . 1 . 2]" 1
1162 1 67 LEU H 1 67 LEU HB3 . . 3.680 3.613 3.502 3.714 0.034 20 0 "[ . 1 . 2]" 1
1163 1 67 LEU H 1 67 LEU MD2 . . 3.770 2.402 2.197 2.701 . 0 0 "[ . 1 . 2]" 1
1164 1 67 LEU H 1 67 LEU HG . . 3.470 2.709 1.904 3.505 0.035 10 0 "[ . 1 . 2]" 1
1165 1 67 LEU H 1 68 GLN H . . 3.660 2.758 2.572 2.959 . 0 0 "[ . 1 . 2]" 1
1166 1 67 LEU H 1 68 GLN HA . . 5.500 5.364 5.223 5.504 0.004 1 0 "[ . 1 . 2]" 1
1167 1 67 LEU H 1 69 ALA H . . 4.970 4.114 3.725 4.437 . 0 0 "[ . 1 . 2]" 1
1168 1 67 LEU H 1 70 LEU H . . 5.500 5.211 4.794 5.568 0.068 7 0 "[ . 1 . 2]" 1
1169 1 67 LEU HA 1 67 LEU MD1 . . 4.020 3.426 2.578 3.919 . 0 0 "[ . 1 . 2]" 1
1170 1 67 LEU HA 1 67 LEU MD2 . . 2.910 2.254 2.031 2.409 . 0 0 "[ . 1 . 2]" 1
1171 1 67 LEU HA 1 69 ALA H . . 4.810 4.029 3.782 4.318 . 0 0 "[ . 1 . 2]" 1
1172 1 67 LEU HA 1 70 LEU H . . 4.300 3.546 2.924 3.955 . 0 0 "[ . 1 . 2]" 1
1173 1 67 LEU HA 1 70 LEU HG . . 3.500 3.459 3.049 3.578 0.078 3 0 "[ . 1 . 2]" 1
1174 1 67 LEU HB2 1 68 GLN H . . 4.110 2.721 2.221 3.103 . 0 0 "[ . 1 . 2]" 1
1175 1 67 LEU HB2 1 68 GLN QG . . 5.220 4.526 3.327 5.318 0.098 20 0 "[ . 1 . 2]" 1
1176 1 67 LEU HB2 1 69 ALA H . . 5.030 4.997 4.760 5.099 0.069 19 0 "[ . 1 . 2]" 1
1177 1 67 LEU HB3 1 67 LEU MD2 . . 3.630 2.861 2.508 3.289 . 0 0 "[ . 1 . 2]" 1
1178 1 67 LEU HB3 1 68 GLN H . . 4.360 3.714 3.163 4.092 . 0 0 "[ . 1 . 2]" 1
1179 1 67 LEU HB3 1 68 GLN HA . . 5.150 4.542 3.987 5.008 . 0 0 "[ . 1 . 2]" 1
1180 1 68 GLN H 1 68 GLN HB2 . . 3.630 2.541 2.031 3.669 0.039 19 0 "[ . 1 . 2]" 1
1181 1 68 GLN H 1 68 GLN HB3 . . 3.470 3.083 2.654 3.593 0.123 1 0 "[ . 1 . 2]" 1
1182 1 68 GLN H 1 68 GLN QG . . 4.370 2.980 1.800 3.933 . 0 0 "[ . 1 . 2]" 1
1183 1 68 GLN H 1 69 ALA H . . 3.390 2.719 2.177 2.960 . 0 0 "[ . 1 . 2]" 1
1184 1 68 GLN H 1 69 ALA MB . . 5.500 4.387 3.875 4.637 . 0 0 "[ . 1 . 2]" 1
1185 1 68 GLN H 1 70 LEU H . . 4.760 4.186 3.804 4.524 . 0 0 "[ . 1 . 2]" 1
1186 1 68 GLN HA 1 68 GLN QE . . 5.500 4.406 3.099 5.079 . 0 0 "[ . 1 . 2]" 1
1187 1 68 GLN HA 1 68 GLN QG . . 3.050 2.518 2.100 3.174 0.124 19 0 "[ . 1 . 2]" 1
1188 1 68 GLN HA 1 70 LEU H . . 4.690 3.874 3.399 4.195 . 0 0 "[ . 1 . 2]" 1
1189 1 68 GLN HA 1 83 VAL QG . . 5.050 3.611 2.175 4.744 . 0 0 "[ . 1 . 2]" 1
1190 1 68 GLN HB2 1 69 ALA H . . 3.760 3.532 2.686 4.063 0.303 9 0 "[ . 1 . 2]" 1
1191 1 68 GLN HB3 1 69 ALA H . . 4.280 3.574 2.613 4.316 0.036 2 0 "[ . 1 . 2]" 1
1192 1 68 GLN QE 1 83 VAL H . . 5.500 4.811 3.671 5.365 . 0 0 "[ . 1 . 2]" 1
1193 1 68 GLN QE 1 83 VAL HB . . 4.510 3.270 1.898 4.295 . 0 0 "[ . 1 . 2]" 1
1194 1 68 GLN QE 1 83 VAL QG . . 4.430 2.236 1.610 3.850 . 0 0 "[ . 1 . 2]" 1
1195 1 68 GLN QG 1 69 ALA H . . 5.260 3.966 2.281 4.997 . 0 0 "[ . 1 . 2]" 1
1196 1 68 GLN QG 1 70 LEU H . . 5.500 5.178 4.391 5.586 0.086 8 0 "[ . 1 . 2]" 1
1197 1 68 GLN QG 1 83 VAL QG . . 4.430 2.520 1.955 4.092 . 0 0 "[ . 1 . 2]" 1
1198 1 69 ALA H 1 69 ALA MB . . 2.790 2.252 2.201 2.303 . 0 0 "[ . 1 . 2]" 1
1199 1 69 ALA H 1 70 LEU H . . 3.290 2.529 2.361 2.706 . 0 0 "[ . 1 . 2]" 1
1200 1 69 ALA H 1 70 LEU QD . . 5.450 4.255 3.589 4.588 . 0 0 "[ . 1 . 2]" 1
1201 1 69 ALA H 1 70 LEU HG . . 5.100 3.887 3.232 4.329 . 0 0 "[ . 1 . 2]" 1
1202 1 69 ALA HA 1 70 LEU HA . . 4.620 4.665 4.595 4.693 0.073 20 0 "[ . 1 . 2]" 1
1203 1 69 ALA MB 1 70 LEU H . . 3.560 3.059 2.787 3.177 . 0 0 "[ . 1 . 2]" 1
1204 1 69 ALA MB 1 70 LEU QD . . 4.400 2.943 2.470 3.651 . 0 0 "[ . 1 . 2]" 1
1205 1 70 LEU H 1 70 LEU HB2 . . 3.240 2.655 2.456 3.760 0.520 7 1 "[ . + 1 . 2]" 1
1206 1 70 LEU H 1 70 LEU HB3 . . 3.700 3.681 3.306 3.769 0.069 18 0 "[ . 1 . 2]" 1
1207 1 70 LEU H 1 70 LEU QD . . 3.310 3.101 1.747 3.226 . 0 0 "[ . 1 . 2]" 1
1208 1 70 LEU H 1 70 LEU HG . . 3.250 2.574 2.340 2.714 . 0 0 "[ . 1 . 2]" 1
1209 1 70 LEU H 1 71 HIS H . . 4.410 4.423 4.256 4.479 0.069 5 0 "[ . 1 . 2]" 1
1210 1 70 LEU HA 1 70 LEU QD . . 2.930 2.269 2.102 2.995 0.065 7 0 "[ . 1 . 2]" 1
1211 1 70 LEU HA 1 70 LEU HG . . 4.000 3.367 3.183 3.706 . 0 0 "[ . 1 . 2]" 1
1212 1 70 LEU HA 1 71 HIS H . . 2.780 2.456 2.256 2.760 . 0 0 "[ . 1 . 2]" 1
1213 1 70 LEU HA 1 71 HIS HB2 . . 4.930 4.659 3.930 5.649 0.719 15 2 "[ . 1 - + 2]" 1
1214 1 70 LEU HB2 1 70 LEU QD . . 3.190 2.300 2.047 2.368 . 0 0 "[ . 1 . 2]" 1
1215 1 70 LEU HB2 1 71 HIS H . . 4.690 3.194 2.257 3.483 . 0 0 "[ . 1 . 2]" 1
1216 1 70 LEU HB3 1 70 LEU QD . . 3.250 2.172 2.116 2.370 . 0 0 "[ . 1 . 2]" 1
1217 1 70 LEU HB3 1 71 HIS H . . 3.690 2.333 1.931 3.546 . 0 0 "[ . 1 . 2]" 1
1218 1 70 LEU QD 1 71 HIS H . . 3.950 3.478 2.960 3.747 . 0 0 "[ . 1 . 2]" 1
1219 1 70 LEU HG 1 71 HIS H . . 4.830 4.856 4.663 4.917 0.087 18 0 "[ . 1 . 2]" 1
1220 1 71 HIS H 1 71 HIS HB2 . . 3.640 3.205 2.218 3.867 0.227 12 0 "[ . 1 . 2]" 1
1221 1 71 HIS HA 1 72 PRO HD2 . . 4.040 2.365 2.085 2.682 . 0 0 "[ . 1 . 2]" 1
1222 1 72 PRO HA 1 73 PRO QD . . 3.270 2.231 2.112 2.373 . 0 0 "[ . 1 . 2]" 1
1223 1 72 PRO HB2 1 73 PRO QD . . 3.180 2.348 2.117 2.584 . 0 0 "[ . 1 . 2]" 1
1224 1 72 PRO HB3 1 73 PRO QD . . 3.210 2.976 2.746 3.184 . 0 0 "[ . 1 . 2]" 1
1225 1 74 LEU H 1 74 LEU HB2 . . 3.210 2.460 2.018 2.938 . 0 0 "[ . 1 . 2]" 1
1226 1 74 LEU H 1 74 LEU HB3 . . 3.090 2.737 2.454 3.278 0.188 17 0 "[ . 1 . 2]" 1
1227 1 74 LEU H 1 74 LEU QD . . 4.140 3.725 3.370 3.953 . 0 0 "[ . 1 . 2]" 1
1228 1 74 LEU H 1 74 LEU HG . . 4.440 4.368 3.871 4.523 0.083 2 0 "[ . 1 . 2]" 1
1229 1 74 LEU HA 1 74 LEU QD . . 2.980 2.130 1.923 2.642 . 0 0 "[ . 1 . 2]" 1
1230 1 74 LEU HA 1 75 THR H . . 2.700 2.317 1.973 2.780 0.080 13 0 "[ . 1 . 2]" 1
1231 1 74 LEU HA 1 76 ILE H . . 5.300 5.139 4.342 5.381 0.081 7 0 "[ . 1 . 2]" 1
1232 1 74 LEU HB2 1 75 THR H . . 4.720 4.314 3.607 4.678 . 0 0 "[ . 1 . 2]" 1
1233 1 74 LEU HB3 1 74 LEU QD . . 2.870 2.230 2.082 2.462 . 0 0 "[ . 1 . 2]" 1
1234 1 74 LEU HB3 1 75 THR H . . 5.500 3.831 2.119 4.485 . 0 0 "[ . 1 . 2]" 1
1235 1 74 LEU QD 1 75 THR H . . 3.240 2.468 1.691 3.141 . 0 0 "[ . 1 . 2]" 1
1236 1 74 LEU QD 1 75 THR HA . . 5.220 3.577 2.830 4.359 . 0 0 "[ . 1 . 2]" 1
1237 1 74 LEU QD 1 81 ILE HB . . 3.570 2.650 1.947 3.630 0.060 2 0 "[ . 1 . 2]" 1
1238 1 74 LEU HG 1 75 THR H . . 4.760 3.886 1.901 4.848 0.088 2 0 "[ . 1 . 2]" 1
1239 1 75 THR H 1 75 THR HB . . 3.670 3.417 2.763 3.754 0.084 13 0 "[ . 1 . 2]" 1
1240 1 75 THR H 1 75 THR MG . . 3.980 3.932 3.581 4.081 0.101 13 0 "[ . 1 . 2]" 1
1241 1 75 THR H 1 76 ILE MD . . 5.500 4.735 2.974 5.222 . 0 0 "[ . 1 . 2]" 1
1242 1 75 THR H 1 80 THR HA . . 5.500 4.614 2.967 5.509 0.009 7 0 "[ . 1 . 2]" 1
1243 1 75 THR HA 1 75 THR MG . . 3.210 2.283 2.133 2.492 . 0 0 "[ . 1 . 2]" 1
1244 1 75 THR HA 1 76 ILE H . . 2.910 2.203 2.058 2.294 . 0 0 "[ . 1 . 2]" 1
1245 1 75 THR HA 1 76 ILE MD . . 5.350 5.120 3.778 5.456 0.106 15 0 "[ . 1 . 2]" 1
1246 1 75 THR HA 1 78 GLY H . . 5.500 4.836 4.176 5.202 . 0 0 "[ . 1 . 2]" 1
1247 1 75 THR HA 1 79 LYS H . . 4.530 4.009 3.468 4.589 0.059 18 0 "[ . 1 . 2]" 1
1248 1 75 THR HA 1 80 THR H . . 5.090 4.485 3.931 5.084 . 0 0 "[ . 1 . 2]" 1
1249 1 75 THR HA 1 80 THR HA . . 3.300 2.420 1.919 2.889 . 0 0 "[ . 1 . 2]" 1
1250 1 75 THR HA 1 80 THR MG . . 4.850 3.974 3.309 4.855 0.005 17 0 "[ . 1 . 2]" 1
1251 1 75 THR HA 1 81 ILE H . . 3.750 3.404 2.694 3.834 0.084 7 0 "[ . 1 . 2]" 1
1252 1 75 THR HA 1 81 ILE MD . . 4.830 4.204 3.338 4.890 0.060 19 0 "[ . 1 . 2]" 1
1253 1 75 THR HA 1 81 ILE QG . . 4.240 3.737 2.937 4.229 . 0 0 "[ . 1 . 2]" 1
1254 1 75 THR HB 1 76 ILE H . . 4.280 4.210 3.532 4.368 0.088 6 0 "[ . 1 . 2]" 1
1255 1 75 THR HB 1 78 GLY H . . 4.610 4.123 2.762 4.675 0.065 20 0 "[ . 1 . 2]" 1
1256 1 75 THR HB 1 78 GLY HA2 . . 4.390 3.921 2.325 4.464 0.074 20 0 "[ . 1 . 2]" 1
1257 1 75 THR HB 1 79 LYS H . . 5.010 4.818 3.779 5.083 0.073 10 0 "[ . 1 . 2]" 1
1258 1 75 THR MG 1 76 ILE H . . 3.760 3.608 3.279 3.847 0.087 17 0 "[ . 1 . 2]" 1
1259 1 75 THR MG 1 78 GLY H . . 4.070 3.358 2.502 4.168 0.098 17 0 "[ . 1 . 2]" 1
1260 1 75 THR MG 1 78 GLY HA2 . . 3.970 2.605 2.057 3.722 . 0 0 "[ . 1 . 2]" 1
1261 1 75 THR MG 1 78 GLY HA3 . . 4.950 3.965 3.483 5.047 0.097 18 0 "[ . 1 . 2]" 1
1262 1 75 THR MG 1 79 LYS H . . 3.830 3.050 2.529 3.929 0.099 18 0 "[ . 1 . 2]" 1
1263 1 75 THR MG 1 80 THR H . . 3.480 2.997 2.471 3.583 0.103 7 0 "[ . 1 . 2]" 1
1264 1 75 THR MG 1 80 THR HA . . 3.480 2.439 2.059 2.803 . 0 0 "[ . 1 . 2]" 1
1265 1 75 THR MG 1 80 THR MG . . 3.170 2.971 2.342 3.326 0.156 13 0 "[ . 1 . 2]" 1
1266 1 76 ILE H 1 76 ILE HB . . 3.900 2.631 2.480 2.806 . 0 0 "[ . 1 . 2]" 1
1267 1 76 ILE H 1 76 ILE MD . . 3.800 3.642 2.413 3.903 0.103 12 0 "[ . 1 . 2]" 1
1268 1 76 ILE H 1 76 ILE HG12 . . 4.450 3.800 3.240 4.477 0.027 5 0 "[ . 1 . 2]" 1
1269 1 76 ILE H 1 76 ILE HG13 . . 4.310 2.676 2.309 3.508 . 0 0 "[ . 1 . 2]" 1
1270 1 76 ILE H 1 76 ILE MG . . 4.140 3.883 3.802 3.962 . 0 0 "[ . 1 . 2]" 1
1271 1 76 ILE H 1 77 ASP H . . 4.880 4.479 4.169 4.586 . 0 0 "[ . 1 . 2]" 1
1272 1 76 ILE H 1 78 GLY H . . 4.850 4.409 3.852 4.860 0.010 2 0 "[ . 1 . 2]" 1
1273 1 76 ILE H 1 79 LYS H . . 3.810 3.559 3.154 3.830 0.020 16 0 "[ . 1 . 2]" 1
1274 1 76 ILE H 1 79 LYS HB3 . . 5.350 5.469 5.367 5.943 0.593 15 2 "[ . 1 + -2]" 1
1275 1 76 ILE H 1 80 THR HA . . 4.100 4.019 3.583 4.186 0.086 15 0 "[ . 1 . 2]" 1
1276 1 76 ILE H 1 81 ILE H . . 4.220 4.187 3.660 4.319 0.099 13 0 "[ . 1 . 2]" 1
1277 1 76 ILE H 1 81 ILE MD . . 4.150 3.379 2.577 4.066 . 0 0 "[ . 1 . 2]" 1
1278 1 76 ILE H 1 81 ILE QG . . 3.720 3.399 2.752 3.816 0.096 15 0 "[ . 1 . 2]" 1
1279 1 76 ILE HA 1 76 ILE MD . . 4.110 3.825 3.545 3.933 . 0 0 "[ . 1 . 2]" 1
1280 1 76 ILE HA 1 76 ILE HG12 . . 3.570 2.724 2.440 3.621 0.051 20 0 "[ . 1 . 2]" 1
1281 1 76 ILE HA 1 76 ILE HG13 . . 4.060 3.020 2.491 3.322 . 0 0 "[ . 1 . 2]" 1
1282 1 76 ILE HA 1 76 ILE MG . . 3.300 2.385 2.228 2.586 . 0 0 "[ . 1 . 2]" 1
1283 1 76 ILE HA 1 77 ASP H . . 3.200 2.208 2.051 2.327 . 0 0 "[ . 1 . 2]" 1
1284 1 76 ILE HB 1 76 ILE MD . . 2.870 2.373 2.170 2.505 . 0 0 "[ . 1 . 2]" 1
1285 1 76 ILE HB 1 76 ILE HG12 . . 2.900 3.005 2.676 3.078 0.178 17 0 "[ . 1 . 2]" 1
1286 1 76 ILE HG13 1 77 ASP H . . 5.500 5.040 4.506 5.268 . 0 0 "[ . 1 . 2]" 1
1287 1 76 ILE MG 1 77 ASP H . . 4.010 2.587 2.276 3.243 . 0 0 "[ . 1 . 2]" 1
1288 1 76 ILE MG 1 77 ASP HA . . 5.040 3.976 3.770 4.475 . 0 0 "[ . 1 . 2]" 1
1289 1 76 ILE MG 1 77 ASP HB2 . . 4.960 2.898 2.343 3.544 . 0 0 "[ . 1 . 2]" 1
1290 1 76 ILE MG 1 77 ASP HB3 . . 4.570 4.020 3.410 4.817 0.247 15 0 "[ . 1 . 2]" 1
1291 1 76 ILE MG 1 78 GLY H . . 5.500 4.651 4.422 4.949 . 0 0 "[ . 1 . 2]" 1
1292 1 77 ASP H 1 78 GLY H . . 3.860 2.866 2.572 3.137 . 0 0 "[ . 1 . 2]" 1
1293 1 77 ASP H 1 78 GLY HA2 . . 5.500 5.136 4.841 5.377 . 0 0 "[ . 1 . 2]" 1
1294 1 77 ASP H 1 79 LYS H . . 4.840 4.342 4.179 4.590 . 0 0 "[ . 1 . 2]" 1
1295 1 77 ASP HA 1 78 GLY H . . 3.260 2.907 2.600 3.192 . 0 0 "[ . 1 . 2]" 1
1296 1 77 ASP HB2 1 78 GLY H . . 4.930 4.363 4.104 4.623 . 0 0 "[ . 1 . 2]" 1
1297 1 77 ASP HB2 1 79 LYS H . . 5.500 4.258 3.465 5.571 0.071 19 0 "[ . 1 . 2]" 1
1298 1 77 ASP HB3 1 78 GLY H . . 5.000 4.359 3.923 4.552 . 0 0 "[ . 1 . 2]" 1
1299 1 78 GLY H 1 79 LYS H . . 3.640 2.658 2.289 2.927 . 0 0 "[ . 1 . 2]" 1
1300 1 78 GLY H 1 79 LYS HB2 . . 5.500 5.243 4.810 6.198 0.698 15 1 "[ . 1 + 2]" 1
1301 1 78 GLY H 1 79 LYS QG . . 5.500 4.452 3.696 4.831 . 0 0 "[ . 1 . 2]" 1
1302 1 79 LYS H 1 79 LYS HB2 . . 3.310 2.736 2.483 3.705 0.395 19 0 "[ . 1 . 2]" 1
1303 1 79 LYS H 1 79 LYS QG . . 3.610 2.656 1.807 3.030 . 0 0 "[ . 1 . 2]" 1
1304 1 79 LYS H 1 81 ILE MD . . 5.500 4.707 4.199 5.362 . 0 0 "[ . 1 . 2]" 1
1305 1 79 LYS HA 1 80 THR H . . 2.830 2.246 2.123 2.443 . 0 0 "[ . 1 . 2]" 1
1306 1 79 LYS HB3 1 80 THR H . . 4.150 3.771 3.094 4.534 0.384 15 0 "[ . 1 . 2]" 1
1307 1 79 LYS HB3 1 81 ILE MD . . 3.900 3.749 3.042 4.695 0.795 15 2 "[ . 1 + -2]" 1
1308 1 80 THR H 1 80 THR HB . . 3.050 2.631 2.401 2.893 . 0 0 "[ . 1 . 2]" 1
1309 1 80 THR H 1 80 THR MG . . 4.050 3.485 2.096 3.802 . 0 0 "[ . 1 . 2]" 1
1310 1 80 THR H 1 81 ILE MD . . 5.500 4.812 4.356 5.318 . 0 0 "[ . 1 . 2]" 1
1311 1 80 THR HA 1 80 THR MG . . 3.140 2.449 2.190 3.171 0.031 17 0 "[ . 1 . 2]" 1
1312 1 80 THR HA 1 81 ILE H . . 2.790 2.192 2.040 2.324 . 0 0 "[ . 1 . 2]" 1
1313 1 80 THR HA 1 81 ILE QG . . 3.780 3.779 3.617 3.861 0.081 1 0 "[ . 1 . 2]" 1
1314 1 80 THR HB 1 81 ILE H . . 4.610 4.222 3.856 4.379 . 0 0 "[ . 1 . 2]" 1
1315 1 80 THR MG 1 81 ILE H . . 3.390 3.197 2.778 3.525 0.135 2 0 "[ . 1 . 2]" 1
1316 1 80 THR MG 1 82 ASN HA . . 4.760 4.322 3.398 4.846 0.086 12 0 "[ . 1 . 2]" 1
1317 1 81 ILE H 1 81 ILE HB . . 3.180 2.626 2.516 2.839 . 0 0 "[ . 1 . 2]" 1
1318 1 81 ILE H 1 81 ILE MD . . 4.050 2.862 2.360 3.314 . 0 0 "[ . 1 . 2]" 1
1319 1 81 ILE H 1 81 ILE QG . . 3.770 2.130 1.917 2.490 . 0 0 "[ . 1 . 2]" 1
1320 1 81 ILE H 1 81 ILE MG . . 4.100 3.772 3.674 3.937 . 0 0 "[ . 1 . 2]" 1
1321 1 81 ILE H 1 82 ASN H . . 5.150 4.525 4.345 4.710 . 0 0 "[ . 1 . 2]" 1
1322 1 81 ILE HA 1 81 ILE MD . . 3.070 2.223 2.062 2.355 . 0 0 "[ . 1 . 2]" 1
1323 1 81 ILE HA 1 81 ILE MG . . 3.310 2.280 2.159 2.377 . 0 0 "[ . 1 . 2]" 1
1324 1 81 ILE HA 1 82 ASN H . . 2.860 2.186 2.013 2.431 . 0 0 "[ . 1 . 2]" 1
1325 1 81 ILE HA 1 82 ASN HB2 . . 4.830 4.247 3.948 4.703 . 0 0 "[ . 1 . 2]" 1
1326 1 81 ILE HB 1 82 ASN H . . 4.810 4.303 3.667 4.533 . 0 0 "[ . 1 . 2]" 1
1327 1 81 ILE MD 1 81 ILE MG . . 3.040 2.182 2.085 2.359 . 0 0 "[ . 1 . 2]" 1
1328 1 81 ILE MD 1 82 ASN H . . 4.130 3.923 3.616 4.205 0.075 16 0 "[ . 1 . 2]" 1
1329 1 81 ILE MG 1 82 ASN H . . 3.400 2.877 1.935 3.225 . 0 0 "[ . 1 . 2]" 1
1330 1 82 ASN H 1 82 ASN HB2 . . 3.380 2.267 2.070 2.551 . 0 0 "[ . 1 . 2]" 1
1331 1 82 ASN H 1 82 ASN HB3 . . 3.480 3.178 2.765 3.568 0.088 16 0 "[ . 1 . 2]" 1
1332 1 82 ASN H 1 83 VAL H . . 4.770 4.554 4.415 4.639 . 0 0 "[ . 1 . 2]" 1
1333 1 82 ASN H 1 84 GLU H . . 5.500 5.556 5.152 5.591 0.091 17 0 "[ . 1 . 2]" 1
1334 1 82 ASN HA 1 82 ASN HD22 . . 4.280 4.344 3.975 4.699 0.419 16 0 "[ . 1 . 2]" 1
1335 1 82 ASN HA 1 83 VAL H . . 2.780 2.427 2.203 2.711 . 0 0 "[ . 1 . 2]" 1
1336 1 82 ASN HA 1 83 VAL QG . . 4.040 2.971 2.718 3.316 . 0 0 "[ . 1 . 2]" 1
1337 1 82 ASN HB2 1 83 VAL H . . 4.050 3.894 3.189 4.127 0.077 20 0 "[ . 1 . 2]" 1
1338 1 82 ASN HB2 1 84 GLU HG2 . . 4.570 4.332 3.007 4.644 0.074 15 0 "[ . 1 . 2]" 1
1339 1 82 ASN HB2 1 84 GLU HG3 . . 5.150 4.948 3.683 5.221 0.071 13 0 "[ . 1 . 2]" 1
1340 1 82 ASN HB3 1 83 VAL H . . 3.900 2.793 2.047 3.423 . 0 0 "[ . 1 . 2]" 1
1341 1 82 ASN HD21 1 83 VAL H . . 5.500 4.832 4.208 5.438 . 0 0 "[ . 1 . 2]" 1
1342 1 82 ASN HD21 1 84 GLU HG2 . . 5.500 4.445 3.580 5.146 . 0 0 "[ . 1 . 2]" 1
1343 1 82 ASN HD21 1 84 GLU HG3 . . 5.500 4.853 3.928 5.561 0.061 17 0 "[ . 1 . 2]" 1
1344 1 82 ASN HD22 1 83 VAL H . . 5.270 4.831 3.890 5.583 0.313 8 0 "[ . 1 . 2]" 1
1345 1 82 ASN HD22 1 84 GLU HG2 . . 5.500 4.985 3.425 5.580 0.080 9 0 "[ . 1 . 2]" 1
1346 1 83 VAL H 1 83 VAL QG . . 3.390 2.094 1.788 2.627 . 0 0 "[ . 1 . 2]" 1
1347 1 83 VAL H 1 84 GLU H . . 4.610 3.628 2.743 4.056 . 0 0 "[ . 1 . 2]" 1
1348 1 83 VAL HA 1 84 GLU H . . 2.840 2.392 2.124 2.802 . 0 0 "[ . 1 . 2]" 1
1349 1 84 GLU H 1 84 GLU HB2 . . 4.110 2.398 2.217 2.557 . 0 0 "[ . 1 . 2]" 1
1350 1 84 GLU H 1 84 GLU HG2 . . 4.150 2.966 2.319 3.376 . 0 0 "[ . 1 . 2]" 1
1351 1 84 GLU H 1 84 GLU HG3 . . 5.340 3.928 3.462 4.364 . 0 0 "[ . 1 . 2]" 1
1352 1 84 GLU H 1 85 PHE H . . 5.500 4.609 4.515 4.764 . 0 0 "[ . 1 . 2]" 1
1353 1 84 GLU HA 1 85 PHE HB2 . . 5.070 4.411 3.734 4.841 . 0 0 "[ . 1 . 2]" 1
1354 1 84 GLU HB3 1 85 PHE HB2 . . 5.170 4.939 4.539 5.234 0.064 7 0 "[ . 1 . 2]" 1
1355 1 85 PHE H 1 85 PHE HD1 . . 5.500 4.029 2.913 4.999 . 0 0 "[ . 1 . 2]" 1
1356 1 85 PHE HA 1 85 PHE HD1 . . 4.630 4.440 4.197 4.696 0.066 5 0 "[ . 1 . 2]" 1
1357 1 85 PHE HA 1 85 PHE HD2 . . 3.380 2.286 2.083 2.704 . 0 0 "[ . 1 . 2]" 1
1358 1 85 PHE HA 1 86 ALA H . . 3.110 2.310 2.198 2.403 . 0 0 "[ . 1 . 2]" 1
1359 1 85 PHE HB2 1 86 ALA H . . 4.400 4.149 3.674 4.458 0.058 14 0 "[ . 1 . 2]" 1
1360 1 85 PHE HB3 1 85 PHE HD2 . . 3.520 2.999 2.637 3.618 0.098 5 0 "[ . 1 . 2]" 1
1361 1 85 PHE HB3 1 86 ALA H . . 3.780 3.047 2.383 3.860 0.080 5 0 "[ . 1 . 2]" 1
1362 1 85 PHE HB3 1 86 ALA MB . . 5.330 4.587 4.023 5.279 . 0 0 "[ . 1 . 2]" 1
1363 1 85 PHE HB3 1 87 LYS H . . 5.500 4.797 3.402 5.577 0.077 2 0 "[ . 1 . 2]" 1
1364 1 85 PHE HD2 1 86 ALA H . . 4.100 2.757 1.847 3.553 . 0 0 "[ . 1 . 2]" 1
1365 1 85 PHE HD2 1 86 ALA MB . . 4.850 4.322 3.222 4.943 0.093 1 0 "[ . 1 . 2]" 1
1366 1 86 ALA H 1 86 ALA MB . . 2.880 2.278 2.131 2.395 . 0 0 "[ . 1 . 2]" 1
1367 1 86 ALA HA 1 87 LYS H . . 2.870 2.327 2.127 2.682 . 0 0 "[ . 1 . 2]" 1
1368 1 86 ALA MB 1 87 LYS H . . 3.820 3.136 1.977 3.815 . 0 0 "[ . 1 . 2]" 1
1369 1 87 LYS H 1 87 LYS HB2 . . 3.500 2.955 2.124 3.714 0.214 17 0 "[ . 1 . 2]" 1
1370 1 87 LYS H 1 87 LYS HB3 . . 3.620 3.064 2.591 3.699 0.079 16 0 "[ . 1 . 2]" 1
1371 1 87 LYS H 1 87 LYS QG . . 4.450 3.539 1.948 4.291 . 0 0 "[ . 1 . 2]" 1
1372 1 87 LYS HA 1 87 LYS QG . . 3.550 2.583 2.144 3.506 . 0 0 "[ . 1 . 2]" 1
1373 1 87 LYS HB3 1 88 GLY H . . 4.690 3.710 2.238 4.531 . 0 0 "[ . 1 . 2]" 1
1374 1 87 LYS QG 1 88 GLY H . . 5.040 3.417 2.380 4.411 . 0 0 "[ . 1 . 2]" 1
1375 1 87 LYS QG 1 89 SER H . . 5.370 4.096 2.204 5.103 . 0 0 "[ . 1 . 2]" 1
1376 1 88 GLY H 1 89 SER H . . 4.610 2.990 1.945 4.450 . 0 0 "[ . 1 . 2]" 1
1377 1 88 GLY HA3 1 89 SER H . . 3.410 3.229 2.176 3.624 0.214 3 0 "[ . 1 . 2]" 1
1378 1 89 SER H 1 89 SER QB . . 3.310 2.949 2.224 3.412 0.102 9 0 "[ . 1 . 2]" 1
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