NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559570 |
2rsi   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rsi
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 2096
_Distance_constraint_stats_list.Viol_count 1744
_Distance_constraint_stats_list.Viol_total 1330.501
_Distance_constraint_stats_list.Viol_max 0.588
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0381
_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 8 LYS 1.860 0.237 17 0 "[ . 1 . 2]"
1 9 PRO 3.120 0.151 17 0 "[ . 1 . 2]"
1 10 TYR 5.346 0.250 17 0 "[ . 1 . 2]"
1 11 LYS 1.230 0.158 5 0 "[ . 1 . 2]"
1 12 CYS 0.678 0.085 9 0 "[ . 1 . 2]"
1 13 PRO 1.645 0.103 16 0 "[ . 1 . 2]"
1 14 GLN 0.278 0.029 20 0 "[ . 1 . 2]"
1 15 CYS 1.386 0.103 16 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 2.606 0.098 17 0 "[ . 1 . 2]"
1 18 ALA 0.757 0.085 9 0 "[ . 1 . 2]"
1 19 SER 1.559 0.250 17 0 "[ . 1 . 2]"
1 20 ALA 2.178 0.237 17 0 "[ . 1 . 2]"
1 21 ILE 1.993 0.108 12 0 "[ . 1 . 2]"
1 22 LYS 1.086 0.152 1 0 "[ . 1 . 2]"
1 23 ALA 1.382 0.082 9 0 "[ . 1 . 2]"
1 24 ASN 2.990 0.130 15 0 "[ . 1 . 2]"
1 25 LEU 2.033 0.106 15 0 "[ . 1 . 2]"
1 26 ASN 2.010 0.160 16 0 "[ . 1 . 2]"
1 27 VAL 12.392 0.588 14 2 "[ . 1 +.- 2]"
1 28 HIS 11.390 0.588 14 2 "[ . 1 +.- 2]"
1 29 LEU 3.258 0.247 8 0 "[ . 1 . 2]"
1 30 ARG 1.543 0.268 20 0 "[ . 1 . 2]"
1 31 LYS 2.697 0.247 8 0 "[ . 1 . 2]"
1 32 HIS 0.719 0.103 3 0 "[ . 1 . 2]"
1 33 THR 0.507 0.103 17 0 "[ . 1 . 2]"
1 34 GLY 0.513 0.103 17 0 "[ . 1 . 2]"
1 35 GLU 1.273 0.093 17 0 "[ . 1 . 2]"
1 36 LYS 2.354 0.168 11 0 "[ . 1 . 2]"
1 37 PHE 3.019 0.168 11 0 "[ . 1 . 2]"
1 38 ALA 0.553 0.065 18 0 "[ . 1 . 2]"
1 39 CYS 1.649 0.065 18 0 "[ . 1 . 2]"
1 40 ASP 0.338 0.045 12 0 "[ . 1 . 2]"
1 41 TYR 1.060 0.109 19 0 "[ . 1 . 2]"
1 42 CYS 0.381 0.050 19 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.290 0.024 13 0 "[ . 1 . 2]"
1 45 THR 0.705 0.057 3 0 "[ . 1 . 2]"
1 46 CYS 0.539 0.064 11 0 "[ . 1 . 2]"
1 47 LEU 0.253 0.072 3 0 "[ . 1 . 2]"
1 48 SER 2.643 0.183 20 0 "[ . 1 . 2]"
1 49 LYS 4.052 0.183 20 0 "[ . 1 . 2]"
1 50 GLY 0.486 0.161 20 0 "[ . 1 . 2]"
1 51 HIS 0.294 0.028 9 0 "[ . 1 . 2]"
1 52 LEU 0.386 0.040 13 0 "[ . 1 . 2]"
1 53 LYS 1.768 0.177 6 0 "[ . 1 . 2]"
1 54 VAL 1.276 0.177 6 0 "[ . 1 . 2]"
1 55 HIS 0.475 0.192 19 0 "[ . 1 . 2]"
1 56 ILE 0.705 0.122 19 0 "[ . 1 . 2]"
1 57 GLU 1.081 0.086 13 0 "[ . 1 . 2]"
1 58 ARG 2.892 0.267 19 0 "[ . 1 . 2]"
1 59 VAL 2.218 0.267 19 0 "[ . 1 . 2]"
1 60 HIS 1.054 0.135 19 0 "[ . 1 . 2]"
1 61 LYS 0.917 0.147 4 0 "[ . 1 . 2]"
1 62 LYS 0.270 0.147 4 0 "[ . 1 . 2]"
1 63 ILE 0.376 0.074 19 0 "[ . 1 . 2]"
1 64 LYS 0.609 0.220 7 0 "[ . 1 . 2]"
1 65 GLN 1.188 0.136 12 0 "[ . 1 . 2]"
1 66 HIS 1.317 0.194 18 0 "[ . 1 . 2]"
1 67 CYS 0.586 0.053 18 0 "[ . 1 . 2]"
1 68 ARG 0.718 0.125 10 0 "[ . 1 . 2]"
1 69 PHE 0.715 0.078 2 0 "[ . 1 . 2]"
1 70 CYS 0.686 0.080 11 0 "[ . 1 . 2]"
1 71 LYS 1.162 0.179 10 0 "[ . 1 . 2]"
1 72 LYS 1.779 0.170 6 0 "[ . 1 . 2]"
1 73 LYS 2.300 0.194 18 0 "[ . 1 . 2]"
1 74 TYR 2.621 0.141 18 0 "[ . 1 . 2]"
1 76 ASP 0.301 0.097 7 0 "[ . 1 . 2]"
1 77 VAL 0.231 0.068 19 0 "[ . 1 . 2]"
1 78 LYS 0.562 0.119 11 0 "[ . 1 . 2]"
1 79 ASN 0.814 0.119 11 0 "[ . 1 . 2]"
1 80 LEU 1.318 0.136 12 0 "[ . 1 . 2]"
1 81 ILE 0.845 0.072 12 0 "[ . 1 . 2]"
1 82 LYS 1.021 0.107 19 0 "[ . 1 . 2]"
1 83 HIS 0.560 0.077 16 0 "[ . 1 . 2]"
1 84 ILE 0.826 0.057 15 0 "[ . 1 . 2]"
1 85 ARG 2.115 0.108 17 0 "[ . 1 . 2]"
1 86 ASP 1.621 0.108 17 0 "[ . 1 . 2]"
1 87 ALA 0.244 0.060 16 0 "[ . 1 . 2]"
1 88 HIS 0.478 0.060 15 0 "[ . 1 . 2]"
1 89 ASP 0.764 0.080 15 0 "[ . 1 . 2]"
1 90 PRO 0.233 0.112 3 0 "[ . 1 . 2]"
1 91 GLN 0.437 0.112 3 0 "[ . 1 . 2]"
1 92 ASP 0.060 0.034 14 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 8 LYS H 1 8 LYS HG3 . . 4.670 2.971 2.625 3.698 . 0 0 "[ . 1 . 2]" 1
2 1 8 LYS H 1 9 PRO HB3 . . 5.500 5.374 5.175 5.651 0.151 17 0 "[ . 1 . 2]" 1
3 1 8 LYS H 1 20 ALA H . . 5.170 4.971 4.470 5.407 0.237 17 0 "[ . 1 . 2]" 1
4 1 8 LYS HA 1 8 LYS QD . . 4.680 4.010 3.490 4.213 . 0 0 "[ . 1 . 2]" 1
5 1 8 LYS HA 1 8 LYS QE . . 5.340 4.604 4.054 5.029 . 0 0 "[ . 1 . 2]" 1
6 1 8 LYS HA 1 8 LYS HG2 . . 3.490 2.732 2.403 3.612 0.122 17 0 "[ . 1 . 2]" 1
7 1 8 LYS HA 1 8 LYS HG3 . . 3.780 2.754 2.402 3.012 . 0 0 "[ . 1 . 2]" 1
8 1 8 LYS HA 1 9 PRO HD2 . . 3.070 2.204 1.917 2.403 . 0 0 "[ . 1 . 2]" 1
9 1 8 LYS HA 1 9 PRO HD3 . . 3.350 3.034 2.456 3.294 . 0 0 "[ . 1 . 2]" 1
10 1 8 LYS HA 1 9 PRO HG3 . . 5.030 4.780 4.360 5.001 . 0 0 "[ . 1 . 2]" 1
11 1 8 LYS HA 1 10 TYR H . . 4.620 3.542 3.329 3.883 . 0 0 "[ . 1 . 2]" 1
12 1 8 LYS HA 1 10 TYR QB . . 5.440 4.615 4.190 5.270 . 0 0 "[ . 1 . 2]" 1
13 1 8 LYS HA 1 18 ALA MB . . 4.470 3.897 3.612 4.336 . 0 0 "[ . 1 . 2]" 1
14 1 8 LYS HA 1 20 ALA HA . . 3.530 2.504 1.945 2.972 . 0 0 "[ . 1 . 2]" 1
15 1 8 LYS HA 1 20 ALA MB . . 3.820 2.901 2.023 3.503 . 0 0 "[ . 1 . 2]" 1
16 1 8 LYS QB 1 8 LYS QD . . 3.180 2.137 2.014 2.274 . 0 0 "[ . 1 . 2]" 1
17 1 8 LYS QB 1 8 LYS QE . . 4.150 3.142 2.011 3.764 . 0 0 "[ . 1 . 2]" 1
18 1 8 LYS QB 1 9 PRO HD3 . . 4.820 4.342 4.237 4.455 . 0 0 "[ . 1 . 2]" 1
19 1 8 LYS QB 1 18 ALA H . . 5.330 4.916 4.225 5.355 0.025 1 0 "[ . 1 . 2]" 1
20 1 8 LYS QB 1 18 ALA MB . . 3.190 1.999 1.730 2.431 . 0 0 "[ . 1 . 2]" 1
21 1 8 LYS QB 1 19 SER H . . 4.550 3.207 2.191 4.232 . 0 0 "[ . 1 . 2]" 1
22 1 8 LYS QB 1 19 SER HA . . 4.690 3.523 2.341 4.481 . 0 0 "[ . 1 . 2]" 1
23 1 8 LYS HB2 1 9 PRO HD2 . . 4.840 4.784 4.535 4.836 . 0 0 "[ . 1 . 2]" 1
24 1 8 LYS HB2 1 9 PRO HD3 . . 5.500 4.803 4.576 5.096 . 0 0 "[ . 1 . 2]" 1
25 1 8 LYS HB3 1 9 PRO HD2 . . 4.840 4.407 3.506 4.711 . 0 0 "[ . 1 . 2]" 1
26 1 8 LYS HB3 1 9 PRO HD3 . . 5.500 4.985 4.621 5.110 . 0 0 "[ . 1 . 2]" 1
27 1 8 LYS QD 1 19 SER H . . 5.340 4.730 3.731 5.412 0.072 13 0 "[ . 1 . 2]" 1
28 1 8 LYS QD 1 19 SER HA . . 4.220 3.746 2.606 4.267 0.047 14 0 "[ . 1 . 2]" 1
29 1 8 LYS QE 1 8 LYS HG2 . . 3.560 2.809 2.055 3.466 . 0 0 "[ . 1 . 2]" 1
30 1 8 LYS QE 1 20 ALA MB . . 5.340 4.395 3.532 5.214 . 0 0 "[ . 1 . 2]" 1
31 1 8 LYS HG2 1 9 PRO HD2 . . 5.210 4.832 4.546 5.241 0.031 14 0 "[ . 1 . 2]" 1
32 1 8 LYS HG2 1 19 SER HA . . 4.530 2.409 1.976 2.859 . 0 0 "[ . 1 . 2]" 1
33 1 8 LYS HG2 1 19 SER QB . . 5.340 4.414 3.832 4.821 . 0 0 "[ . 1 . 2]" 1
34 1 8 LYS HG2 1 20 ALA MB . . 4.280 3.411 2.511 4.082 . 0 0 "[ . 1 . 2]" 1
35 1 8 LYS HG3 1 9 PRO HD2 . . 4.890 4.713 4.159 4.918 0.028 7 0 "[ . 1 . 2]" 1
36 1 8 LYS HG3 1 9 PRO HD3 . . 5.500 5.061 4.801 5.268 . 0 0 "[ . 1 . 2]" 1
37 1 9 PRO HA 1 10 TYR QB . . 5.500 5.512 5.391 5.602 0.102 17 0 "[ . 1 . 2]" 1
38 1 9 PRO HA 1 10 TYR QD . . 5.120 4.905 4.304 5.104 . 0 0 "[ . 1 . 2]" 1
39 1 9 PRO HA 1 11 LYS QD . . 5.000 3.785 2.870 4.942 . 0 0 "[ . 1 . 2]" 1
40 1 9 PRO HA 1 11 LYS QE . . 4.190 3.583 2.676 4.235 0.045 17 0 "[ . 1 . 2]" 1
41 1 9 PRO HA 1 18 ALA MB . . 5.280 4.795 4.202 5.082 . 0 0 "[ . 1 . 2]" 1
42 1 9 PRO HB2 1 10 TYR H . . 3.910 3.228 3.028 3.407 . 0 0 "[ . 1 . 2]" 1
43 1 9 PRO HB2 1 10 TYR QE . . 4.920 4.293 3.409 4.644 . 0 0 "[ . 1 . 2]" 1
44 1 9 PRO HB3 1 10 TYR H . . 4.190 4.079 3.963 4.183 . 0 0 "[ . 1 . 2]" 1
45 1 9 PRO HB3 1 10 TYR HA . . 5.500 5.544 5.504 5.576 0.076 9 0 "[ . 1 . 2]" 1
46 1 9 PRO HB3 1 10 TYR QD . . 4.880 4.748 4.171 5.008 0.128 14 0 "[ . 1 . 2]" 1
47 1 9 PRO HB3 1 10 TYR QE . . 5.290 5.185 4.527 5.393 0.103 7 0 "[ . 1 . 2]" 1
48 1 9 PRO HD2 1 10 TYR H . . 3.440 2.660 2.646 2.701 . 0 0 "[ . 1 . 2]" 1
49 1 9 PRO HD2 1 10 TYR QB . . 4.770 4.348 4.216 4.571 . 0 0 "[ . 1 . 2]" 1
50 1 9 PRO HD2 1 10 TYR QD . . 4.260 2.918 2.493 4.199 . 0 0 "[ . 1 . 2]" 1
51 1 9 PRO HD2 1 10 TYR QE . . 4.550 3.941 3.416 4.633 0.083 9 0 "[ . 1 . 2]" 1
52 1 9 PRO HD2 1 18 ALA MB . . 5.450 5.258 4.930 5.512 0.062 13 0 "[ . 1 . 2]" 1
53 1 9 PRO HD2 1 20 ALA HA . . 3.240 2.026 1.911 2.297 . 0 0 "[ . 1 . 2]" 1
54 1 9 PRO HD2 1 20 ALA MB . . 3.910 3.139 2.340 3.514 . 0 0 "[ . 1 . 2]" 1
55 1 9 PRO HD3 1 10 TYR H . . 4.210 3.840 3.835 3.853 . 0 0 "[ . 1 . 2]" 1
56 1 9 PRO HD3 1 10 TYR QD . . 5.500 4.337 4.095 5.181 . 0 0 "[ . 1 . 2]" 1
57 1 9 PRO HD3 1 10 TYR QE . . 5.480 4.926 4.555 5.503 0.023 9 0 "[ . 1 . 2]" 1
58 1 9 PRO HD3 1 20 ALA HA . . 3.940 3.513 3.206 3.996 0.056 12 0 "[ . 1 . 2]" 1
59 1 9 PRO HD3 1 20 ALA MB . . 4.230 3.759 2.968 4.087 . 0 0 "[ . 1 . 2]" 1
60 1 9 PRO HG2 1 10 TYR H . . 3.830 2.249 2.034 2.463 . 0 0 "[ . 1 . 2]" 1
61 1 9 PRO HG2 1 10 TYR HA . . 4.740 4.243 4.136 4.302 . 0 0 "[ . 1 . 2]" 1
62 1 9 PRO HG2 1 10 TYR QB . . 4.960 4.088 3.958 4.247 . 0 0 "[ . 1 . 2]" 1
63 1 9 PRO HG2 1 10 TYR QD . . 3.800 2.139 1.897 2.546 . 0 0 "[ . 1 . 2]" 1
64 1 9 PRO HG2 1 10 TYR QE . . 4.070 2.622 2.471 2.774 . 0 0 "[ . 1 . 2]" 1
65 1 9 PRO HG2 1 20 ALA HA . . 4.910 3.686 3.209 4.079 . 0 0 "[ . 1 . 2]" 1
66 1 9 PRO HG3 1 10 TYR H . . 4.200 3.791 3.631 3.950 . 0 0 "[ . 1 . 2]" 1
67 1 9 PRO HG3 1 10 TYR QD . . 4.620 3.725 3.601 4.082 . 0 0 "[ . 1 . 2]" 1
68 1 9 PRO HG3 1 10 TYR QE . . 4.520 3.448 3.199 3.835 . 0 0 "[ . 1 . 2]" 1
69 1 9 PRO HG3 1 20 ALA HA . . 4.800 4.305 4.049 4.530 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR H 1 10 TYR QB . . 3.100 2.490 2.350 2.708 . 0 0 "[ . 1 . 2]" 1
71 1 10 TYR H 1 10 TYR QD . . 3.390 1.952 1.825 2.426 . 0 0 "[ . 1 . 2]" 1
72 1 10 TYR H 1 10 TYR QE . . 4.200 3.971 3.735 4.218 0.018 9 0 "[ . 1 . 2]" 1
73 1 10 TYR H 1 11 LYS H . . 4.590 4.439 4.261 4.568 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR H 1 11 LYS QD . . 5.340 4.391 3.934 5.400 0.060 12 0 "[ . 1 . 2]" 1
75 1 10 TYR H 1 19 SER H . . 3.970 3.676 3.231 3.889 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR H 1 19 SER QB . . 5.340 5.118 4.366 5.590 0.250 17 0 "[ . 1 . 2]" 1
77 1 10 TYR H 1 20 ALA MB . . 5.500 5.007 4.286 5.365 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR H 1 25 LEU QD . . 5.320 4.778 4.553 4.973 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR HA 1 10 TYR QD . . 3.350 2.923 2.176 3.139 . 0 0 "[ . 1 . 2]" 1
80 1 10 TYR HA 1 11 LYS H . . 2.660 2.156 2.137 2.193 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR HA 1 25 LEU QD . . 4.490 3.415 3.304 3.586 . 0 0 "[ . 1 . 2]" 1
82 1 10 TYR QB 1 11 LYS H . . 3.560 3.361 3.071 3.647 0.087 13 0 "[ . 1 . 2]" 1
83 1 10 TYR QB 1 17 TYR QE . . 4.930 4.728 4.431 4.957 0.027 17 0 "[ . 1 . 2]" 1
84 1 10 TYR QB 1 19 SER H . . 3.620 2.729 2.569 2.900 . 0 0 "[ . 1 . 2]" 1
85 1 10 TYR QB 1 19 SER QB . . 3.790 3.284 2.325 3.759 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR QB 1 20 ALA MB . . 5.500 5.302 4.605 5.589 0.089 11 0 "[ . 1 . 2]" 1
87 1 10 TYR QB 1 21 ILE H . . 5.110 4.306 3.347 5.040 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR QB 1 25 LEU H . . 4.880 4.237 3.989 4.485 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR QB 1 25 LEU HA . . 5.500 4.606 4.443 4.821 . 0 0 "[ . 1 . 2]" 1
90 1 10 TYR QB 1 25 LEU HB2 . . 3.870 2.673 2.501 2.853 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR QB 1 25 LEU QB . . 3.390 2.618 2.461 2.784 . 0 0 "[ . 1 . 2]" 1
92 1 10 TYR QB 1 25 LEU HB3 . . 3.870 3.760 3.486 3.904 0.034 12 0 "[ . 1 . 2]" 1
93 1 10 TYR QB 1 25 LEU MD1 . . 3.840 3.059 2.795 3.409 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR QB 1 25 LEU QD . . 2.880 2.081 1.837 2.261 . 0 0 "[ . 1 . 2]" 1
95 1 10 TYR QB 1 25 LEU MD2 . . 3.840 2.124 1.852 2.380 . 0 0 "[ . 1 . 2]" 1
96 1 10 TYR QB 1 25 LEU HG . . 4.660 4.469 4.301 4.620 . 0 0 "[ . 1 . 2]" 1
97 1 10 TYR QD 1 11 LYS H . . 4.540 4.450 4.185 4.698 0.158 5 0 "[ . 1 . 2]" 1
98 1 10 TYR QD 1 19 SER H . . 4.820 4.353 4.032 4.715 . 0 0 "[ . 1 . 2]" 1
99 1 10 TYR QD 1 19 SER QB . . 4.770 4.325 3.453 4.738 . 0 0 "[ . 1 . 2]" 1
100 1 10 TYR QD 1 20 ALA HA . . 3.680 3.193 2.526 3.863 0.183 12 0 "[ . 1 . 2]" 1
101 1 10 TYR QD 1 20 ALA MB . . 4.990 4.554 4.096 4.833 . 0 0 "[ . 1 . 2]" 1
102 1 10 TYR QD 1 21 ILE H . . 4.770 4.020 2.586 4.681 . 0 0 "[ . 1 . 2]" 1
103 1 10 TYR QD 1 21 ILE HA . . 4.720 4.507 3.831 4.748 0.028 14 0 "[ . 1 . 2]" 1
104 1 10 TYR QD 1 22 LYS HA . . 3.760 3.087 2.138 3.615 . 0 0 "[ . 1 . 2]" 1
105 1 10 TYR QD 1 22 LYS QB . . 4.280 4.059 3.303 4.317 0.037 7 0 "[ . 1 . 2]" 1
106 1 10 TYR QD 1 22 LYS QD . . 4.530 3.423 2.592 4.576 0.046 9 0 "[ . 1 . 2]" 1
107 1 10 TYR QD 1 22 LYS QE . . 5.370 4.609 3.641 5.465 0.095 18 0 "[ . 1 . 2]" 1
108 1 10 TYR QD 1 22 LYS QG . . 4.980 4.577 3.037 5.132 0.152 1 0 "[ . 1 . 2]" 1
109 1 10 TYR QD 1 25 LEU HB2 . . 4.830 3.739 2.660 4.313 . 0 0 "[ . 1 . 2]" 1
110 1 10 TYR QD 1 25 LEU HB3 . . 4.830 4.105 3.219 4.638 . 0 0 "[ . 1 . 2]" 1
111 1 10 TYR QD 1 25 LEU QD . . 3.730 2.646 2.269 3.456 . 0 0 "[ . 1 . 2]" 1
112 1 10 TYR QE 1 20 ALA HA . . 4.380 4.066 3.548 4.422 0.042 13 0 "[ . 1 . 2]" 1
113 1 10 TYR QE 1 20 ALA MB . . 5.050 4.792 4.356 5.128 0.078 9 0 "[ . 1 . 2]" 1
114 1 10 TYR QE 1 21 ILE HA . . 4.070 3.826 2.490 4.114 0.044 5 0 "[ . 1 . 2]" 1
115 1 10 TYR QE 1 21 ILE MG . . 5.500 4.998 4.148 5.387 . 0 0 "[ . 1 . 2]" 1
116 1 10 TYR QE 1 22 LYS HA . . 4.310 3.187 2.092 3.841 . 0 0 "[ . 1 . 2]" 1
117 1 10 TYR QE 1 22 LYS QB . . 3.680 2.759 2.081 3.717 0.037 17 0 "[ . 1 . 2]" 1
118 1 10 TYR QE 1 22 LYS HD2 . . 4.600 3.080 2.039 4.574 . 0 0 "[ . 1 . 2]" 1
119 1 10 TYR QE 1 22 LYS QD . . 4.030 2.315 1.934 2.953 . 0 0 "[ . 1 . 2]" 1
120 1 10 TYR QE 1 22 LYS HD3 . . 4.600 2.693 1.975 4.295 . 0 0 "[ . 1 . 2]" 1
121 1 10 TYR QE 1 22 LYS QE . . 4.230 3.508 1.980 4.258 0.028 9 0 "[ . 1 . 2]" 1
122 1 10 TYR QE 1 22 LYS QG . . 4.500 3.773 2.623 4.208 . 0 0 "[ . 1 . 2]" 1
123 1 10 TYR QE 1 25 LEU QD . . 5.380 4.374 4.077 4.930 . 0 0 "[ . 1 . 2]" 1
124 1 11 LYS H 1 11 LYS HB2 . . 3.840 2.454 2.226 2.779 . 0 0 "[ . 1 . 2]" 1
125 1 11 LYS H 1 11 LYS QB . . 3.290 2.412 2.202 2.699 . 0 0 "[ . 1 . 2]" 1
126 1 11 LYS H 1 11 LYS HB3 . . 3.840 3.567 2.950 3.740 . 0 0 "[ . 1 . 2]" 1
127 1 11 LYS H 1 11 LYS HG2 . . 4.770 3.958 2.045 4.742 . 0 0 "[ . 1 . 2]" 1
128 1 11 LYS H 1 11 LYS QG . . 4.040 3.462 2.034 4.119 0.079 12 0 "[ . 1 . 2]" 1
129 1 11 LYS H 1 11 LYS HG3 . . 4.770 4.107 3.609 4.575 . 0 0 "[ . 1 . 2]" 1
130 1 11 LYS H 1 12 CYS H . . 4.800 4.520 4.455 4.579 . 0 0 "[ . 1 . 2]" 1
131 1 11 LYS H 1 18 ALA MB . . 4.840 4.808 4.570 4.909 0.069 15 0 "[ . 1 . 2]" 1
132 1 11 LYS H 1 25 LEU QD . . 3.850 3.223 2.830 3.635 . 0 0 "[ . 1 . 2]" 1
133 1 11 LYS HA 1 11 LYS HD2 . . 4.430 3.042 2.114 3.566 . 0 0 "[ . 1 . 2]" 1
134 1 11 LYS HA 1 11 LYS HD3 . . 4.430 3.233 1.939 4.329 . 0 0 "[ . 1 . 2]" 1
135 1 11 LYS HA 1 12 CYS H . . 2.960 2.280 2.235 2.300 . 0 0 "[ . 1 . 2]" 1
136 1 11 LYS HA 1 17 TYR QD . . 4.660 4.401 4.075 4.687 0.027 12 0 "[ . 1 . 2]" 1
137 1 11 LYS QB 1 11 LYS QD . . 3.270 2.260 2.056 2.545 . 0 0 "[ . 1 . 2]" 1
138 1 11 LYS QB 1 12 CYS H . . 3.720 2.790 2.670 3.364 . 0 0 "[ . 1 . 2]" 1
139 1 11 LYS QB 1 18 ALA MB . . 4.370 4.118 3.761 4.340 . 0 0 "[ . 1 . 2]" 1
140 1 11 LYS HB2 1 12 CYS H . . 4.230 4.007 3.558 4.261 0.031 12 0 "[ . 1 . 2]" 1
141 1 11 LYS HB3 1 12 CYS H . . 4.230 2.850 2.725 3.524 . 0 0 "[ . 1 . 2]" 1
142 1 11 LYS QD 1 12 CYS H . . 5.340 4.332 3.391 4.907 . 0 0 "[ . 1 . 2]" 1
143 1 11 LYS QE 1 18 ALA MB . . 4.000 3.244 2.218 4.024 0.024 14 0 "[ . 1 . 2]" 1
144 1 11 LYS QG 1 12 CYS H . . 4.590 3.663 2.467 4.581 . 0 0 "[ . 1 . 2]" 1
145 1 11 LYS QG 1 18 ALA MB . . 4.050 2.976 2.008 4.049 . 0 0 "[ . 1 . 2]" 1
146 1 11 LYS HG2 1 12 CYS H . . 5.270 4.586 4.152 5.107 . 0 0 "[ . 1 . 2]" 1
147 1 11 LYS HG3 1 12 CYS H . . 5.270 3.928 2.486 5.177 . 0 0 "[ . 1 . 2]" 1
148 1 12 CYS H 1 12 CYS HB2 . . 3.250 2.678 2.543 2.799 . 0 0 "[ . 1 . 2]" 1
149 1 12 CYS H 1 12 CYS HB3 . . 3.180 2.500 2.443 2.610 . 0 0 "[ . 1 . 2]" 1
150 1 12 CYS H 1 13 PRO HD2 . . 4.960 4.792 4.769 4.818 . 0 0 "[ . 1 . 2]" 1
151 1 12 CYS H 1 13 PRO HD3 . . 4.850 4.678 4.614 4.787 . 0 0 "[ . 1 . 2]" 1
152 1 12 CYS H 1 15 CYS H . . 4.800 4.677 4.555 4.781 . 0 0 "[ . 1 . 2]" 1
153 1 12 CYS H 1 17 TYR HB2 . . 5.270 5.051 4.896 5.209 . 0 0 "[ . 1 . 2]" 1
154 1 12 CYS H 1 17 TYR HB3 . . 4.250 3.555 3.392 3.738 . 0 0 "[ . 1 . 2]" 1
155 1 12 CYS H 1 17 TYR QD . . 4.100 3.528 3.268 3.716 . 0 0 "[ . 1 . 2]" 1
156 1 12 CYS H 1 18 ALA MB . . 4.290 4.199 3.871 4.375 0.085 9 0 "[ . 1 . 2]" 1
157 1 12 CYS H 1 25 LEU MD1 . . 4.910 3.386 3.088 3.541 . 0 0 "[ . 1 . 2]" 1
158 1 12 CYS H 1 25 LEU QD . . 3.730 3.319 3.029 3.464 . 0 0 "[ . 1 . 2]" 1
159 1 12 CYS H 1 25 LEU MD2 . . 4.910 4.774 4.381 4.942 0.032 13 0 "[ . 1 . 2]" 1
160 1 12 CYS H 1 28 HIS HD2 . . 5.500 5.509 5.368 5.548 0.048 9 0 "[ . 1 . 2]" 1
161 1 12 CYS HA 1 13 PRO HD2 . . 3.020 1.999 1.968 2.061 . 0 0 "[ . 1 . 2]" 1
162 1 12 CYS HA 1 13 PRO HD3 . . 2.940 2.306 2.271 2.332 . 0 0 "[ . 1 . 2]" 1
163 1 12 CYS HA 1 14 GLN H . . 4.150 3.525 3.480 3.629 . 0 0 "[ . 1 . 2]" 1
164 1 12 CYS HA 1 15 CYS H . . 4.750 4.333 4.285 4.437 . 0 0 "[ . 1 . 2]" 1
165 1 12 CYS HA 1 17 TYR HB3 . . 4.630 4.440 4.321 4.569 . 0 0 "[ . 1 . 2]" 1
166 1 12 CYS HA 1 17 TYR QD . . 4.900 3.848 3.761 3.957 . 0 0 "[ . 1 . 2]" 1
167 1 12 CYS HA 1 25 LEU MD1 . . 3.690 2.120 1.943 2.426 . 0 0 "[ . 1 . 2]" 1
168 1 12 CYS HA 1 25 LEU QD . . 2.970 2.102 1.926 2.391 . 0 0 "[ . 1 . 2]" 1
169 1 12 CYS HA 1 25 LEU MD2 . . 3.690 3.516 3.153 3.687 . 0 0 "[ . 1 . 2]" 1
170 1 12 CYS HA 1 28 HIS HD2 . . 4.510 4.307 4.136 4.390 . 0 0 "[ . 1 . 2]" 1
171 1 12 CYS HA 1 29 LEU MD2 . . 3.880 3.185 2.863 3.558 . 0 0 "[ . 1 . 2]" 1
172 1 12 CYS HB2 1 13 PRO HD2 . . 4.250 3.924 3.812 4.090 . 0 0 "[ . 1 . 2]" 1
173 1 12 CYS HB2 1 13 PRO HD3 . . 4.940 4.755 4.683 4.856 . 0 0 "[ . 1 . 2]" 1
174 1 12 CYS HB2 1 14 GLN H . . 4.650 4.253 4.203 4.321 . 0 0 "[ . 1 . 2]" 1
175 1 12 CYS HB2 1 15 CYS H . . 4.060 3.937 3.875 4.031 . 0 0 "[ . 1 . 2]" 1
176 1 12 CYS HB2 1 17 TYR H . . 4.110 3.385 3.186 3.638 . 0 0 "[ . 1 . 2]" 1
177 1 12 CYS HB2 1 17 TYR HA . . 5.000 4.694 4.548 4.906 . 0 0 "[ . 1 . 2]" 1
178 1 12 CYS HB2 1 17 TYR HB2 . . 4.140 3.779 3.709 3.974 . 0 0 "[ . 1 . 2]" 1
179 1 12 CYS HB2 1 17 TYR HB3 . . 3.550 2.039 1.969 2.246 . 0 0 "[ . 1 . 2]" 1
180 1 12 CYS HB2 1 17 TYR QD . . 3.500 1.991 1.925 2.143 . 0 0 "[ . 1 . 2]" 1
181 1 12 CYS HB2 1 17 TYR QE . . 4.680 4.249 4.158 4.348 . 0 0 "[ . 1 . 2]" 1
182 1 12 CYS HB2 1 25 LEU QD . . 3.230 2.708 2.460 2.848 . 0 0 "[ . 1 . 2]" 1
183 1 12 CYS HB2 1 28 HIS HD2 . . 3.570 2.851 2.677 3.022 . 0 0 "[ . 1 . 2]" 1
184 1 12 CYS HB2 1 29 LEU MD2 . . 4.440 3.841 3.542 4.141 . 0 0 "[ . 1 . 2]" 1
185 1 12 CYS HB3 1 13 PRO HD2 . . 4.620 4.293 4.159 4.363 . 0 0 "[ . 1 . 2]" 1
186 1 12 CYS HB3 1 13 PRO HD3 . . 5.090 5.042 4.987 5.074 . 0 0 "[ . 1 . 2]" 1
187 1 12 CYS HB3 1 14 GLN H . . 4.170 3.438 3.331 3.598 . 0 0 "[ . 1 . 2]" 1
188 1 12 CYS HB3 1 15 CYS H . . 3.320 2.554 2.424 2.688 . 0 0 "[ . 1 . 2]" 1
189 1 12 CYS HB3 1 16 SER HA . . 5.100 4.297 4.148 4.443 . 0 0 "[ . 1 . 2]" 1
190 1 12 CYS HB3 1 17 TYR H . . 3.830 2.187 2.111 2.301 . 0 0 "[ . 1 . 2]" 1
191 1 12 CYS HB3 1 17 TYR HA . . 4.890 4.495 4.355 4.618 . 0 0 "[ . 1 . 2]" 1
192 1 12 CYS HB3 1 17 TYR HB2 . . 4.040 3.785 3.590 3.933 . 0 0 "[ . 1 . 2]" 1
193 1 12 CYS HB3 1 17 TYR HB3 . . 3.610 2.256 2.059 2.400 . 0 0 "[ . 1 . 2]" 1
194 1 12 CYS HB3 1 17 TYR QD . . 3.830 3.479 3.297 3.584 . 0 0 "[ . 1 . 2]" 1
195 1 12 CYS HB3 1 28 HIS HD2 . . 4.450 4.097 3.897 4.219 . 0 0 "[ . 1 . 2]" 1
196 1 12 CYS HB3 1 29 LEU MD2 . . 4.920 4.445 4.256 4.655 . 0 0 "[ . 1 . 2]" 1
197 1 13 PRO HA 1 14 GLN HG2 . . 5.500 5.314 5.159 5.474 . 0 0 "[ . 1 . 2]" 1
198 1 13 PRO HA 1 15 CYS H . . 5.190 4.608 4.492 4.796 . 0 0 "[ . 1 . 2]" 1
199 1 13 PRO HB2 1 14 GLN HG2 . . 4.800 3.947 3.833 4.066 . 0 0 "[ . 1 . 2]" 1
200 1 13 PRO HB2 1 14 GLN HG3 . . 4.790 4.263 4.131 4.398 . 0 0 "[ . 1 . 2]" 1
201 1 13 PRO HB2 1 29 LEU MD2 . . 4.800 4.509 4.285 4.783 . 0 0 "[ . 1 . 2]" 1
202 1 13 PRO HB3 1 14 GLN H . . 4.490 4.473 4.378 4.506 0.016 13 0 "[ . 1 . 2]" 1
203 1 13 PRO HD2 1 14 GLN H . . 3.420 2.963 2.797 3.032 . 0 0 "[ . 1 . 2]" 1
204 1 13 PRO HD2 1 14 GLN HG3 . . 4.030 3.625 3.413 3.826 . 0 0 "[ . 1 . 2]" 1
205 1 13 PRO HD2 1 15 CYS H . . 4.640 4.542 4.406 4.640 . 0 0 "[ . 1 . 2]" 1
206 1 13 PRO HD2 1 25 LEU MD1 . . 4.720 3.151 2.803 3.370 . 0 0 "[ . 1 . 2]" 1
207 1 13 PRO HD2 1 25 LEU QD . . 3.780 3.036 2.758 3.214 . 0 0 "[ . 1 . 2]" 1
208 1 13 PRO HD2 1 25 LEU MD2 . . 4.720 3.993 3.837 4.176 . 0 0 "[ . 1 . 2]" 1
209 1 13 PRO HD2 1 28 HIS HD2 . . 4.980 4.731 4.245 4.985 0.005 18 0 "[ . 1 . 2]" 1
210 1 13 PRO HD2 1 29 LEU HA . . 5.500 5.487 5.339 5.598 0.098 20 0 "[ . 1 . 2]" 1
211 1 13 PRO HD2 1 29 LEU HB3 . . 5.500 5.390 5.172 5.504 0.004 5 0 "[ . 1 . 2]" 1
212 1 13 PRO HD2 1 29 LEU MD1 . . 4.540 3.358 3.029 3.779 . 0 0 "[ . 1 . 2]" 1
213 1 13 PRO HD2 1 29 LEU MD2 . . 3.220 1.989 1.898 2.167 . 0 0 "[ . 1 . 2]" 1
214 1 13 PRO HD3 1 14 GLN H . . 4.200 4.009 3.922 4.046 . 0 0 "[ . 1 . 2]" 1
215 1 13 PRO HD3 1 15 CYS H . . 5.500 5.561 5.525 5.603 0.103 16 0 "[ . 1 . 2]" 1
216 1 13 PRO HD3 1 25 LEU MD1 . . 4.300 3.205 2.954 3.506 . 0 0 "[ . 1 . 2]" 1
217 1 13 PRO HD3 1 25 LEU QD . . 3.570 2.897 2.744 3.132 . 0 0 "[ . 1 . 2]" 1
218 1 13 PRO HD3 1 25 LEU MD2 . . 4.300 3.318 3.021 3.569 . 0 0 "[ . 1 . 2]" 1
219 1 13 PRO HD3 1 29 LEU MD1 . . 4.390 3.999 3.656 4.399 0.009 18 0 "[ . 1 . 2]" 1
220 1 13 PRO HD3 1 29 LEU MD2 . . 3.520 3.383 3.292 3.508 . 0 0 "[ . 1 . 2]" 1
221 1 13 PRO HG2 1 14 GLN H . . 3.610 3.246 2.954 3.353 . 0 0 "[ . 1 . 2]" 1
222 1 13 PRO HG2 1 14 GLN HG3 . . 3.440 2.779 2.583 2.898 . 0 0 "[ . 1 . 2]" 1
223 1 13 PRO HG3 1 14 GLN H . . 4.600 4.541 4.319 4.623 0.023 13 0 "[ . 1 . 2]" 1
224 1 13 PRO HG3 1 29 LEU MD1 . . 4.550 3.842 3.545 4.391 . 0 0 "[ . 1 . 2]" 1
225 1 13 PRO HG3 1 29 LEU MD2 . . 4.050 3.294 2.927 3.561 . 0 0 "[ . 1 . 2]" 1
226 1 14 GLN H 1 14 GLN HB2 . . 3.730 2.577 2.490 2.642 . 0 0 "[ . 1 . 2]" 1
227 1 14 GLN H 1 14 GLN QB . . 3.030 2.533 2.453 2.591 . 0 0 "[ . 1 . 2]" 1
228 1 14 GLN H 1 14 GLN HB3 . . 3.730 3.719 3.661 3.742 0.012 5 0 "[ . 1 . 2]" 1
229 1 14 GLN H 1 14 GLN HG2 . . 3.940 3.455 3.319 3.588 . 0 0 "[ . 1 . 2]" 1
230 1 14 GLN H 1 14 GLN HG3 . . 3.700 2.884 2.582 3.111 . 0 0 "[ . 1 . 2]" 1
231 1 14 GLN H 1 15 CYS H . . 2.760 2.030 1.962 2.235 . 0 0 "[ . 1 . 2]" 1
232 1 14 GLN H 1 29 LEU MD2 . . 4.710 3.398 3.139 3.659 . 0 0 "[ . 1 . 2]" 1
233 1 14 GLN HA 1 14 GLN HG2 . . 3.410 2.433 2.352 2.522 . 0 0 "[ . 1 . 2]" 1
234 1 14 GLN HA 1 14 GLN HG3 . . 3.980 3.431 3.389 3.504 . 0 0 "[ . 1 . 2]" 1
235 1 14 GLN HA 1 15 CYS HB3 . . 5.230 4.998 4.910 5.070 . 0 0 "[ . 1 . 2]" 1
236 1 14 GLN QB 1 15 CYS H . . 3.420 2.688 2.540 2.784 . 0 0 "[ . 1 . 2]" 1
237 1 14 GLN QB 1 32 HIS HB3 . . 5.030 3.364 2.903 3.726 . 0 0 "[ . 1 . 2]" 1
238 1 14 GLN QB 1 32 HIS HD2 . . 3.930 3.027 2.512 3.404 . 0 0 "[ . 1 . 2]" 1
239 1 14 GLN QB 1 32 HIS HE1 . . 4.390 3.618 3.231 4.109 . 0 0 "[ . 1 . 2]" 1
240 1 14 GLN HB2 1 15 CYS H . . 4.070 2.747 2.582 2.847 . 0 0 "[ . 1 . 2]" 1
241 1 14 GLN HB2 1 32 HIS HD2 . . 4.690 3.091 2.551 3.492 . 0 0 "[ . 1 . 2]" 1
242 1 14 GLN HB2 1 32 HIS HE1 . . 5.060 4.021 3.537 4.518 . 0 0 "[ . 1 . 2]" 1
243 1 14 GLN HB3 1 15 CYS H . . 4.070 3.811 3.676 3.945 . 0 0 "[ . 1 . 2]" 1
244 1 14 GLN HB3 1 32 HIS HD2 . . 4.690 4.325 3.647 4.719 0.029 20 0 "[ . 1 . 2]" 1
245 1 14 GLN HB3 1 32 HIS HE1 . . 5.060 4.111 3.634 4.722 . 0 0 "[ . 1 . 2]" 1
246 1 14 GLN QE 1 29 LEU HB3 . . 5.340 3.869 2.363 5.346 0.006 8 0 "[ . 1 . 2]" 1
247 1 14 GLN QE 1 29 LEU MD2 . . 4.800 2.904 1.899 4.338 . 0 0 "[ . 1 . 2]" 1
248 1 14 GLN QE 1 32 HIS HB2 . . 4.220 2.947 2.159 3.510 . 0 0 "[ . 1 . 2]" 1
249 1 14 GLN QE 1 32 HIS HB3 . . 3.670 2.323 1.880 3.115 . 0 0 "[ . 1 . 2]" 1
250 1 14 GLN QE 1 32 HIS HD2 . . 4.620 4.246 3.364 4.641 0.021 20 0 "[ . 1 . 2]" 1
251 1 14 GLN QE 1 33 THR MG . . 5.340 4.111 3.158 5.051 . 0 0 "[ . 1 . 2]" 1
252 1 14 GLN HE21 1 29 LEU MD2 . . 5.500 3.104 1.912 4.916 . 0 0 "[ . 1 . 2]" 1
253 1 14 GLN HE21 1 32 HIS HB2 . . 4.970 3.748 2.707 4.721 . 0 0 "[ . 1 . 2]" 1
254 1 14 GLN HE21 1 32 HIS HB3 . . 4.250 3.352 2.812 4.246 . 0 0 "[ . 1 . 2]" 1
255 1 14 GLN HE22 1 29 LEU MD2 . . 5.500 3.931 3.267 4.825 . 0 0 "[ . 1 . 2]" 1
256 1 14 GLN HE22 1 32 HIS HB2 . . 4.970 3.098 2.269 3.622 . 0 0 "[ . 1 . 2]" 1
257 1 14 GLN HE22 1 32 HIS HB3 . . 4.250 2.375 1.899 3.205 . 0 0 "[ . 1 . 2]" 1
258 1 14 GLN HG2 1 15 CYS H . . 4.810 4.779 4.714 4.817 0.007 15 0 "[ . 1 . 2]" 1
259 1 14 GLN HG2 1 32 HIS HB2 . . 5.500 5.313 5.014 5.508 0.008 4 0 "[ . 1 . 2]" 1
260 1 14 GLN HG3 1 15 CYS H . . 4.480 4.300 4.074 4.439 . 0 0 "[ . 1 . 2]" 1
261 1 14 GLN HG3 1 29 LEU MD2 . . 3.580 2.355 1.976 2.703 . 0 0 "[ . 1 . 2]" 1
262 1 14 GLN HG3 1 32 HIS HB2 . . 5.270 4.319 4.032 4.786 . 0 0 "[ . 1 . 2]" 1
263 1 14 GLN HG3 1 32 HIS HB3 . . 4.870 4.202 3.439 4.818 . 0 0 "[ . 1 . 2]" 1
264 1 14 GLN HG3 1 32 HIS HD2 . . 4.600 3.923 3.341 4.393 . 0 0 "[ . 1 . 2]" 1
265 1 15 CYS H 1 15 CYS HB2 . . 4.140 3.913 3.875 3.960 . 0 0 "[ . 1 . 2]" 1
266 1 15 CYS H 1 15 CYS HB3 . . 3.890 3.025 2.914 3.158 . 0 0 "[ . 1 . 2]" 1
267 1 15 CYS H 1 17 TYR H . . 4.670 3.678 3.618 3.735 . 0 0 "[ . 1 . 2]" 1
268 1 15 CYS H 1 17 TYR HB3 . . 4.320 4.297 4.211 4.373 0.053 18 0 "[ . 1 . 2]" 1
269 1 15 CYS HB2 1 16 SER H . . 4.500 2.228 2.116 2.299 . 0 0 "[ . 1 . 2]" 1
270 1 15 CYS HB2 1 17 TYR H . . 4.500 3.929 3.669 4.055 . 0 0 "[ . 1 . 2]" 1
271 1 15 CYS HB2 1 32 HIS HE1 . . 4.550 3.563 3.066 4.206 . 0 0 "[ . 1 . 2]" 1
272 1 15 CYS HB3 1 16 SER H . . 4.600 3.670 3.624 3.738 . 0 0 "[ . 1 . 2]" 1
273 1 15 CYS HB3 1 17 TYR H . . 4.600 4.368 4.316 4.513 . 0 0 "[ . 1 . 2]" 1
274 1 15 CYS HB3 1 32 HIS HE1 . . 3.850 2.290 1.993 2.781 . 0 0 "[ . 1 . 2]" 1
275 1 16 SER H 1 17 TYR H . . 4.740 3.063 2.970 3.200 . 0 0 "[ . 1 . 2]" 1
276 1 17 TYR H 1 17 TYR HB2 . . 3.070 2.913 2.823 2.966 . 0 0 "[ . 1 . 2]" 1
277 1 17 TYR H 1 17 TYR HB3 . . 3.090 2.335 2.300 2.366 . 0 0 "[ . 1 . 2]" 1
278 1 17 TYR H 1 17 TYR QD . . 4.390 4.089 4.046 4.139 . 0 0 "[ . 1 . 2]" 1
279 1 17 TYR H 1 18 ALA H . . 4.680 4.589 4.577 4.606 . 0 0 "[ . 1 . 2]" 1
280 1 17 TYR H 1 28 HIS HE1 . . 5.090 5.121 4.999 5.170 0.080 1 0 "[ . 1 . 2]" 1
281 1 17 TYR HA 1 17 TYR QD . . 3.400 2.912 2.806 3.074 . 0 0 "[ . 1 . 2]" 1
282 1 17 TYR HA 1 18 ALA H . . 2.600 2.298 2.225 2.351 . 0 0 "[ . 1 . 2]" 1
283 1 17 TYR HA 1 18 ALA HA . . 4.640 4.473 4.431 4.503 . 0 0 "[ . 1 . 2]" 1
284 1 17 TYR HA 1 18 ALA MB . . 4.120 3.804 3.742 3.892 . 0 0 "[ . 1 . 2]" 1
285 1 17 TYR HA 1 28 HIS HE1 . . 5.240 4.513 4.361 4.924 . 0 0 "[ . 1 . 2]" 1
286 1 17 TYR HB2 1 18 ALA H . . 3.950 3.787 3.703 3.911 . 0 0 "[ . 1 . 2]" 1
287 1 17 TYR HB2 1 25 LEU QD . . 5.440 5.277 5.054 5.419 . 0 0 "[ . 1 . 2]" 1
288 1 17 TYR HB2 1 28 HIS HE1 . . 3.740 2.388 2.326 2.624 . 0 0 "[ . 1 . 2]" 1
289 1 17 TYR HB3 1 18 ALA H . . 4.050 3.943 3.825 4.089 0.039 15 0 "[ . 1 . 2]" 1
290 1 17 TYR HB3 1 25 LEU QD . . 4.600 4.068 3.836 4.207 . 0 0 "[ . 1 . 2]" 1
291 1 17 TYR HB3 1 28 HIS HE1 . . 4.060 3.494 3.335 3.604 . 0 0 "[ . 1 . 2]" 1
292 1 17 TYR QD 1 18 ALA H . . 3.680 2.977 2.797 3.162 . 0 0 "[ . 1 . 2]" 1
293 1 17 TYR QD 1 18 ALA HA . . 3.880 3.593 3.217 3.903 0.023 9 0 "[ . 1 . 2]" 1
294 1 17 TYR QD 1 18 ALA MB . . 4.640 4.473 4.331 4.599 . 0 0 "[ . 1 . 2]" 1
295 1 17 TYR QD 1 19 SER H . . 4.910 4.796 4.507 4.950 0.040 1 0 "[ . 1 . 2]" 1
296 1 17 TYR QD 1 19 SER QB . . 4.570 4.140 3.786 4.479 . 0 0 "[ . 1 . 2]" 1
297 1 17 TYR QD 1 25 LEU HA . . 4.030 3.739 3.616 3.882 . 0 0 "[ . 1 . 2]" 1
298 1 17 TYR QD 1 25 LEU QB . . 4.750 4.740 4.309 4.848 0.098 17 0 "[ . 1 . 2]" 1
299 1 17 TYR QD 1 25 LEU QD . . 3.220 2.467 2.238 2.589 . 0 0 "[ . 1 . 2]" 1
300 1 17 TYR QD 1 28 HIS HB2 . . 4.530 4.135 4.027 4.237 . 0 0 "[ . 1 . 2]" 1
301 1 17 TYR QD 1 28 HIS HB3 . . 4.490 3.698 3.575 3.922 . 0 0 "[ . 1 . 2]" 1
302 1 17 TYR QD 1 28 HIS HD2 . . 4.430 3.068 2.867 3.331 . 0 0 "[ . 1 . 2]" 1
303 1 17 TYR QD 1 28 HIS HE1 . . 4.260 2.755 2.465 3.359 . 0 0 "[ . 1 . 2]" 1
304 1 17 TYR QE 1 18 ALA H . . 4.580 3.826 3.638 4.065 . 0 0 "[ . 1 . 2]" 1
305 1 17 TYR QE 1 18 ALA HA . . 4.710 4.212 3.822 4.534 . 0 0 "[ . 1 . 2]" 1
306 1 17 TYR QE 1 19 SER H . . 4.540 4.282 3.977 4.559 0.019 13 0 "[ . 1 . 2]" 1
307 1 17 TYR QE 1 19 SER HA . . 5.020 4.500 4.111 4.762 . 0 0 "[ . 1 . 2]" 1
308 1 17 TYR QE 1 19 SER HB2 . . 3.850 2.817 2.137 3.913 0.063 10 0 "[ . 1 . 2]" 1
309 1 17 TYR QE 1 19 SER QB . . 3.190 2.451 2.119 2.751 . 0 0 "[ . 1 . 2]" 1
310 1 17 TYR QE 1 19 SER HB3 . . 3.850 3.246 2.522 3.649 . 0 0 "[ . 1 . 2]" 1
311 1 17 TYR QE 1 24 ASN HB2 . . 5.440 4.893 4.638 5.467 0.027 15 0 "[ . 1 . 2]" 1
312 1 17 TYR QE 1 24 ASN HB3 . . 4.960 3.695 3.502 3.894 . 0 0 "[ . 1 . 2]" 1
313 1 17 TYR QE 1 25 LEU H . . 4.350 3.930 3.710 4.147 . 0 0 "[ . 1 . 2]" 1
314 1 17 TYR QE 1 25 LEU HA . . 3.090 2.241 2.050 2.343 . 0 0 "[ . 1 . 2]" 1
315 1 17 TYR QE 1 25 LEU QB . . 3.720 3.605 3.171 3.726 0.006 3 0 "[ . 1 . 2]" 1
316 1 17 TYR QE 1 25 LEU MD1 . . 4.810 2.560 2.361 2.827 . 0 0 "[ . 1 . 2]" 1
317 1 17 TYR QE 1 25 LEU QD . . 3.330 2.550 2.356 2.806 . 0 0 "[ . 1 . 2]" 1
318 1 17 TYR QE 1 25 LEU MD2 . . 4.810 4.813 4.731 4.844 0.034 15 0 "[ . 1 . 2]" 1
319 1 17 TYR QE 1 25 LEU HG . . 5.100 4.858 4.631 5.022 . 0 0 "[ . 1 . 2]" 1
320 1 17 TYR QE 1 28 HIS H . . 5.020 4.541 4.382 4.729 . 0 0 "[ . 1 . 2]" 1
321 1 17 TYR QE 1 28 HIS HA . . 5.230 4.980 4.815 5.200 . 0 0 "[ . 1 . 2]" 1
322 1 17 TYR QE 1 28 HIS HB2 . . 3.870 3.042 2.820 3.235 . 0 0 "[ . 1 . 2]" 1
323 1 17 TYR QE 1 28 HIS HB3 . . 3.770 2.853 2.624 3.045 . 0 0 "[ . 1 . 2]" 1
324 1 17 TYR QE 1 28 HIS HD2 . . 4.530 4.121 3.986 4.250 . 0 0 "[ . 1 . 2]" 1
325 1 17 TYR QE 1 29 LEU H . . 5.500 5.434 5.085 5.598 0.098 13 0 "[ . 1 . 2]" 1
326 1 18 ALA H 1 18 ALA MB . . 3.260 2.667 2.570 2.762 . 0 0 "[ . 1 . 2]" 1
327 1 18 ALA H 1 19 SER H . . 4.530 4.363 4.279 4.423 . 0 0 "[ . 1 . 2]" 1
328 1 18 ALA HA 1 19 SER H . . 2.920 2.280 2.189 2.348 . 0 0 "[ . 1 . 2]" 1
329 1 18 ALA MB 1 19 SER H . . 3.150 2.736 2.494 2.990 . 0 0 "[ . 1 . 2]" 1
330 1 18 ALA MB 1 19 SER HA . . 4.710 3.870 3.744 4.020 . 0 0 "[ . 1 . 2]" 1
331 1 18 ALA MB 1 19 SER QB . . 5.340 4.458 4.267 4.827 . 0 0 "[ . 1 . 2]" 1
332 1 19 SER H 1 19 SER HB2 . . 3.690 3.289 2.986 3.762 0.072 17 0 "[ . 1 . 2]" 1
333 1 19 SER H 1 19 SER QB . . 3.170 2.918 2.735 3.336 0.166 17 0 "[ . 1 . 2]" 1
334 1 19 SER H 1 19 SER HB3 . . 3.690 3.277 2.938 3.727 0.037 17 0 "[ . 1 . 2]" 1
335 1 19 SER H 1 20 ALA H . . 5.330 4.246 3.804 4.455 . 0 0 "[ . 1 . 2]" 1
336 1 19 SER QB 1 21 ILE H . . 3.500 2.825 2.362 3.398 . 0 0 "[ . 1 . 2]" 1
337 1 19 SER QB 1 21 ILE HB . . 4.870 4.002 3.523 4.684 . 0 0 "[ . 1 . 2]" 1
338 1 19 SER QB 1 24 ASN H . . 5.340 4.503 4.043 4.975 . 0 0 "[ . 1 . 2]" 1
339 1 19 SER QB 1 24 ASN HB2 . . 3.900 2.736 1.973 3.839 . 0 0 "[ . 1 . 2]" 1
340 1 19 SER QB 1 25 LEU H . . 4.050 3.039 2.644 3.559 . 0 0 "[ . 1 . 2]" 1
341 1 19 SER QB 1 25 LEU QB . . 3.640 3.386 3.022 3.681 0.041 10 0 "[ . 1 . 2]" 1
342 1 19 SER QB 1 25 LEU QD . . 4.300 3.541 2.986 3.991 . 0 0 "[ . 1 . 2]" 1
343 1 19 SER HB2 1 24 ASN HB2 . . 4.660 3.563 1.996 4.722 0.062 13 0 "[ . 1 . 2]" 1
344 1 19 SER HB2 1 24 ASN HB3 . . 4.520 2.786 1.962 3.414 . 0 0 "[ . 1 . 2]" 1
345 1 19 SER HB3 1 24 ASN HB2 . . 4.660 3.054 2.417 4.064 . 0 0 "[ . 1 . 2]" 1
346 1 19 SER HB3 1 24 ASN HB3 . . 4.520 2.749 2.299 3.477 . 0 0 "[ . 1 . 2]" 1
347 1 20 ALA MB 1 21 ILE H . . 3.600 3.179 2.764 3.708 0.108 12 0 "[ . 1 . 2]" 1
348 1 20 ALA MB 1 21 ILE HB . . 4.860 4.665 4.402 4.948 0.088 12 0 "[ . 1 . 2]" 1
349 1 20 ALA MB 1 21 ILE MD . . 4.110 3.604 2.111 4.154 0.044 4 0 "[ . 1 . 2]" 1
350 1 20 ALA MB 1 21 ILE QG . . 4.800 2.897 2.618 3.460 . 0 0 "[ . 1 . 2]" 1
351 1 21 ILE H 1 21 ILE HB . . 3.190 2.708 2.429 2.974 . 0 0 "[ . 1 . 2]" 1
352 1 21 ILE H 1 21 ILE MD . . 4.290 3.656 2.094 4.397 0.107 12 0 "[ . 1 . 2]" 1
353 1 21 ILE H 1 21 ILE HG12 . . 4.210 3.982 2.726 4.246 0.036 12 0 "[ . 1 . 2]" 1
354 1 21 ILE H 1 21 ILE QG . . 3.430 2.817 2.245 3.275 . 0 0 "[ . 1 . 2]" 1
355 1 21 ILE H 1 21 ILE HG13 . . 4.210 2.949 2.263 4.039 . 0 0 "[ . 1 . 2]" 1
356 1 21 ILE H 1 21 ILE MG . . 4.060 3.868 3.754 3.974 . 0 0 "[ . 1 . 2]" 1
357 1 21 ILE H 1 24 ASN H . . 4.810 4.613 4.133 4.859 0.049 4 0 "[ . 1 . 2]" 1
358 1 21 ILE H 1 24 ASN HB2 . . 4.220 3.282 2.696 3.705 . 0 0 "[ . 1 . 2]" 1
359 1 21 ILE H 1 24 ASN HB3 . . 4.590 4.254 3.605 4.608 0.018 18 0 "[ . 1 . 2]" 1
360 1 21 ILE HA 1 21 ILE MD . . 4.110 3.705 2.119 3.902 . 0 0 "[ . 1 . 2]" 1
361 1 21 ILE HA 1 21 ILE HG12 . . 3.920 2.795 2.538 3.520 . 0 0 "[ . 1 . 2]" 1
362 1 21 ILE HA 1 21 ILE QG . . 3.430 2.450 2.219 2.897 . 0 0 "[ . 1 . 2]" 1
363 1 21 ILE HA 1 21 ILE HG13 . . 3.920 2.872 2.246 3.795 . 0 0 "[ . 1 . 2]" 1
364 1 21 ILE HA 1 21 ILE MG . . 3.290 2.315 2.232 2.418 . 0 0 "[ . 1 . 2]" 1
365 1 21 ILE HB 1 21 ILE MD . . 3.400 2.320 2.101 3.213 . 0 0 "[ . 1 . 2]" 1
366 1 21 ILE HB 1 23 ALA MB . . 4.810 4.080 3.647 4.568 . 0 0 "[ . 1 . 2]" 1
367 1 21 ILE HB 1 24 ASN H . . 3.590 2.759 2.564 2.932 . 0 0 "[ . 1 . 2]" 1
368 1 21 ILE HB 1 24 ASN HB2 . . 3.680 2.316 1.962 2.687 . 0 0 "[ . 1 . 2]" 1
369 1 21 ILE HB 1 24 ASN HB3 . . 4.020 3.756 3.418 4.046 0.026 11 0 "[ . 1 . 2]" 1
370 1 21 ILE HB 1 24 ASN QD . . 4.670 3.133 1.950 4.171 . 0 0 "[ . 1 . 2]" 1
371 1 21 ILE HB 1 25 LEU H . . 4.590 4.451 4.003 4.665 0.075 20 0 "[ . 1 . 2]" 1
372 1 21 ILE MD 1 23 ALA MB . . 4.840 4.333 3.858 4.921 0.081 11 0 "[ . 1 . 2]" 1
373 1 21 ILE MD 1 24 ASN H . . 4.710 4.199 3.890 4.767 0.057 16 0 "[ . 1 . 2]" 1
374 1 21 ILE MD 1 24 ASN HB2 . . 4.760 3.847 3.211 4.832 0.072 16 0 "[ . 1 . 2]" 1
375 1 21 ILE MD 1 24 ASN QD . . 4.110 2.911 2.146 3.858 . 0 0 "[ . 1 . 2]" 1
376 1 21 ILE QG 1 21 ILE MG . . 2.910 2.190 1.946 2.331 . 0 0 "[ . 1 . 2]" 1
377 1 21 ILE QG 1 24 ASN H . . 5.340 4.674 4.333 4.918 . 0 0 "[ . 1 . 2]" 1
378 1 21 ILE HG12 1 21 ILE MG . . 3.330 2.278 1.990 3.185 . 0 0 "[ . 1 . 2]" 1
379 1 21 ILE HG13 1 21 ILE MG . . 3.330 3.073 2.397 3.199 . 0 0 "[ . 1 . 2]" 1
380 1 21 ILE MG 1 22 LYS HA . . 5.090 4.098 3.866 4.542 . 0 0 "[ . 1 . 2]" 1
381 1 21 ILE MG 1 23 ALA H . . 4.060 2.174 1.768 2.510 . 0 0 "[ . 1 . 2]" 1
382 1 21 ILE MG 1 23 ALA HA . . 4.420 4.089 3.784 4.257 . 0 0 "[ . 1 . 2]" 1
383 1 21 ILE MG 1 23 ALA MB . . 3.040 2.225 1.953 2.570 . 0 0 "[ . 1 . 2]" 1
384 1 21 ILE MG 1 24 ASN H . . 2.950 2.157 1.846 2.538 . 0 0 "[ . 1 . 2]" 1
385 1 21 ILE MG 1 24 ASN HA . . 4.870 4.304 3.678 4.880 0.010 10 0 "[ . 1 . 2]" 1
386 1 21 ILE MG 1 24 ASN HB2 . . 4.050 3.325 2.847 3.637 . 0 0 "[ . 1 . 2]" 1
387 1 21 ILE MG 1 24 ASN HB3 . . 4.760 4.609 4.144 4.811 0.051 1 0 "[ . 1 . 2]" 1
388 1 21 ILE MG 1 24 ASN QD . . 4.740 3.949 1.955 4.757 0.017 5 0 "[ . 1 . 2]" 1
389 1 21 ILE MG 1 25 LEU H . . 4.680 4.478 4.202 4.693 0.013 15 0 "[ . 1 . 2]" 1
390 1 22 LYS HA 1 22 LYS HD2 . . 4.590 3.279 2.168 4.625 0.035 16 0 "[ . 1 . 2]" 1
391 1 22 LYS HA 1 22 LYS QD . . 3.760 2.791 2.012 3.715 . 0 0 "[ . 1 . 2]" 1
392 1 22 LYS HA 1 22 LYS HD3 . . 4.590 3.511 2.025 4.718 0.128 10 0 "[ . 1 . 2]" 1
393 1 22 LYS HA 1 22 LYS QG . . 3.520 2.861 2.111 3.427 . 0 0 "[ . 1 . 2]" 1
394 1 22 LYS HA 1 24 ASN H . . 4.780 4.392 4.091 4.809 0.029 5 0 "[ . 1 . 2]" 1
395 1 22 LYS HA 1 25 LEU H . . 4.040 3.787 3.497 3.939 . 0 0 "[ . 1 . 2]" 1
396 1 22 LYS HA 1 25 LEU QB . . 3.630 3.255 2.896 3.520 . 0 0 "[ . 1 . 2]" 1
397 1 22 LYS HA 1 25 LEU QD . . 4.160 3.790 3.400 4.073 . 0 0 "[ . 1 . 2]" 1
398 1 22 LYS HA 1 26 ASN H . . 5.080 4.763 4.356 5.082 0.002 20 0 "[ . 1 . 2]" 1
399 1 22 LYS QB 1 22 LYS QD . . 3.270 2.232 2.106 2.487 . 0 0 "[ . 1 . 2]" 1
400 1 22 LYS QE 1 22 LYS HG2 . . 3.820 2.527 2.148 3.481 . 0 0 "[ . 1 . 2]" 1
401 1 22 LYS QE 1 22 LYS HG3 . . 3.820 2.732 2.115 3.441 . 0 0 "[ . 1 . 2]" 1
402 1 22 LYS QG 1 23 ALA HA . . 4.520 3.644 3.120 4.403 . 0 0 "[ . 1 . 2]" 1
403 1 22 LYS QG 1 23 ALA MB . . 5.040 4.061 3.271 4.926 . 0 0 "[ . 1 . 2]" 1
404 1 22 LYS QG 1 26 ASN HD21 . . 5.340 3.443 2.643 4.855 . 0 0 "[ . 1 . 2]" 1
405 1 23 ALA H 1 24 ASN H . . 4.380 2.855 2.585 3.134 . 0 0 "[ . 1 . 2]" 1
406 1 23 ALA HA 1 25 LEU H . . 5.150 4.839 4.159 5.140 . 0 0 "[ . 1 . 2]" 1
407 1 23 ALA HA 1 26 ASN H . . 3.930 3.591 3.255 3.740 . 0 0 "[ . 1 . 2]" 1
408 1 23 ALA HA 1 26 ASN HA . . 5.500 5.512 5.337 5.582 0.082 9 0 "[ . 1 . 2]" 1
409 1 23 ALA HA 1 26 ASN HB2 . . 3.340 2.895 2.748 3.043 . 0 0 "[ . 1 . 2]" 1
410 1 23 ALA HA 1 26 ASN HB3 . . 4.410 4.399 4.257 4.482 0.072 5 0 "[ . 1 . 2]" 1
411 1 23 ALA HA 1 26 ASN HD21 . . 4.730 2.221 1.909 2.824 . 0 0 "[ . 1 . 2]" 1
412 1 23 ALA HA 1 26 ASN HD22 . . 4.340 3.383 2.913 4.326 . 0 0 "[ . 1 . 2]" 1
413 1 23 ALA HA 1 27 VAL H . . 4.610 4.438 4.114 4.602 . 0 0 "[ . 1 . 2]" 1
414 1 23 ALA HA 1 27 VAL QG . . 5.440 5.228 3.978 5.513 0.073 5 0 "[ . 1 . 2]" 1
415 1 23 ALA MB 1 24 ASN H . . 3.420 2.549 2.225 2.793 . 0 0 "[ . 1 . 2]" 1
416 1 23 ALA MB 1 24 ASN HA . . 4.570 3.750 3.556 3.843 . 0 0 "[ . 1 . 2]" 1
417 1 23 ALA MB 1 25 LEU H . . 5.270 4.841 4.394 5.089 . 0 0 "[ . 1 . 2]" 1
418 1 23 ALA MB 1 26 ASN H . . 4.680 4.585 4.319 4.693 0.013 2 0 "[ . 1 . 2]" 1
419 1 23 ALA MB 1 26 ASN HB2 . . 4.270 3.963 3.789 4.115 . 0 0 "[ . 1 . 2]" 1
420 1 23 ALA MB 1 26 ASN HB3 . . 5.500 5.227 4.896 5.401 . 0 0 "[ . 1 . 2]" 1
421 1 23 ALA MB 1 27 VAL H . . 4.720 4.534 4.398 4.699 . 0 0 "[ . 1 . 2]" 1
422 1 24 ASN H 1 24 ASN HB2 . . 3.160 2.233 2.147 2.357 . 0 0 "[ . 1 . 2]" 1
423 1 24 ASN H 1 24 ASN HB3 . . 3.640 3.431 2.979 3.569 . 0 0 "[ . 1 . 2]" 1
424 1 24 ASN H 1 25 LEU H . . 3.220 3.013 2.861 3.184 . 0 0 "[ . 1 . 2]" 1
425 1 24 ASN H 1 25 LEU QB . . 5.030 4.596 4.506 4.753 . 0 0 "[ . 1 . 2]" 1
426 1 24 ASN H 1 26 ASN H . . 4.380 4.175 4.009 4.360 . 0 0 "[ . 1 . 2]" 1
427 1 24 ASN H 1 27 VAL QG . . 4.610 4.574 3.800 4.740 0.130 15 0 "[ . 1 . 2]" 1
428 1 24 ASN HA 1 24 ASN QD . . 4.580 3.450 1.984 3.935 . 0 0 "[ . 1 . 2]" 1
429 1 24 ASN HA 1 27 VAL H . . 3.600 3.415 3.315 3.562 . 0 0 "[ . 1 . 2]" 1
430 1 24 ASN HA 1 27 VAL HA . . 5.500 5.546 5.476 5.607 0.107 13 0 "[ . 1 . 2]" 1
431 1 24 ASN HA 1 27 VAL HB . . 3.890 3.358 3.192 3.510 . 0 0 "[ . 1 . 2]" 1
432 1 24 ASN HA 1 27 VAL QG . . 3.180 2.376 1.965 2.542 . 0 0 "[ . 1 . 2]" 1
433 1 24 ASN HA 1 28 HIS H . . 4.300 3.989 3.797 4.405 0.105 20 0 "[ . 1 . 2]" 1
434 1 24 ASN HB2 1 25 LEU H . . 3.670 2.640 2.244 3.497 . 0 0 "[ . 1 . 2]" 1
435 1 24 ASN HB2 1 27 VAL QG . . 5.280 4.614 4.405 4.707 . 0 0 "[ . 1 . 2]" 1
436 1 24 ASN HB3 1 25 LEU H . . 3.880 2.742 2.020 3.296 . 0 0 "[ . 1 . 2]" 1
437 1 25 LEU H 1 25 LEU HB2 . . 3.210 2.360 2.304 2.542 . 0 0 "[ . 1 . 2]" 1
438 1 25 LEU H 1 25 LEU HB3 . . 3.210 2.702 2.510 2.805 . 0 0 "[ . 1 . 2]" 1
439 1 25 LEU H 1 25 LEU MD1 . . 4.470 3.854 3.714 4.101 . 0 0 "[ . 1 . 2]" 1
440 1 25 LEU H 1 25 LEU MD2 . . 4.470 4.187 4.172 4.208 . 0 0 "[ . 1 . 2]" 1
441 1 25 LEU H 1 25 LEU HG . . 4.720 4.565 4.487 4.602 . 0 0 "[ . 1 . 2]" 1
442 1 25 LEU H 1 26 ASN H . . 3.220 2.900 2.645 3.016 . 0 0 "[ . 1 . 2]" 1
443 1 25 LEU H 1 26 ASN HB2 . . 5.450 5.010 4.793 5.151 . 0 0 "[ . 1 . 2]" 1
444 1 25 LEU H 1 28 HIS HB2 . . 5.500 5.303 5.098 5.514 0.014 20 0 "[ . 1 . 2]" 1
445 1 25 LEU H 1 28 HIS HB3 . . 5.050 4.749 4.668 4.900 . 0 0 "[ . 1 . 2]" 1
446 1 25 LEU HA 1 25 LEU QD . . 3.250 2.141 2.020 2.213 . 0 0 "[ . 1 . 2]" 1
447 1 25 LEU HA 1 25 LEU HG . . 3.940 3.112 3.012 3.253 . 0 0 "[ . 1 . 2]" 1
448 1 25 LEU HA 1 28 HIS H . . 3.800 3.545 3.435 3.687 . 0 0 "[ . 1 . 2]" 1
449 1 25 LEU HA 1 28 HIS HA . . 5.370 5.333 5.209 5.423 0.053 19 0 "[ . 1 . 2]" 1
450 1 25 LEU HA 1 28 HIS HB2 . . 3.670 3.609 3.383 3.745 0.075 16 0 "[ . 1 . 2]" 1
451 1 25 LEU HA 1 28 HIS HB3 . . 3.330 2.464 2.364 2.554 . 0 0 "[ . 1 . 2]" 1
452 1 25 LEU HA 1 28 HIS HD2 . . 4.760 4.256 3.977 4.483 . 0 0 "[ . 1 . 2]" 1
453 1 25 LEU HA 1 29 LEU H . . 4.470 4.218 3.790 4.500 0.030 20 0 "[ . 1 . 2]" 1
454 1 25 LEU HA 1 29 LEU MD2 . . 5.500 5.048 4.871 5.292 . 0 0 "[ . 1 . 2]" 1
455 1 25 LEU QB 1 25 LEU QD . . 2.650 1.905 1.881 1.919 . 0 0 "[ . 1 . 2]" 1
456 1 25 LEU QB 1 26 ASN H . . 3.380 2.575 2.453 2.690 . 0 0 "[ . 1 . 2]" 1
457 1 25 LEU QB 1 28 HIS HB3 . . 4.780 4.517 4.428 4.594 . 0 0 "[ . 1 . 2]" 1
458 1 25 LEU QB 1 29 LEU MD1 . . 5.040 3.686 3.511 4.004 . 0 0 "[ . 1 . 2]" 1
459 1 25 LEU HB2 1 25 LEU MD1 . . 3.560 2.301 2.232 2.348 . 0 0 "[ . 1 . 2]" 1
460 1 25 LEU HB2 1 25 LEU MD2 . . 3.560 2.309 2.222 2.376 . 0 0 "[ . 1 . 2]" 1
461 1 25 LEU HB2 1 26 ASN H . . 4.160 3.833 3.723 3.925 . 0 0 "[ . 1 . 2]" 1
462 1 25 LEU HB3 1 25 LEU MD1 . . 3.560 3.188 3.180 3.195 . 0 0 "[ . 1 . 2]" 1
463 1 25 LEU HB3 1 25 LEU MD2 . . 3.560 2.313 2.238 2.404 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU HB3 1 26 ASN H . . 4.160 2.617 2.488 2.744 . 0 0 "[ . 1 . 2]" 1
465 1 25 LEU QD 1 28 HIS HB2 . . 5.020 4.374 4.184 4.578 . 0 0 "[ . 1 . 2]" 1
466 1 25 LEU QD 1 28 HIS HB3 . . 3.740 3.181 3.001 3.426 . 0 0 "[ . 1 . 2]" 1
467 1 25 LEU QD 1 28 HIS HD2 . . 3.330 3.076 2.788 3.291 . 0 0 "[ . 1 . 2]" 1
468 1 25 LEU QD 1 29 LEU H . . 4.450 4.222 3.789 4.474 0.024 15 0 "[ . 1 . 2]" 1
469 1 25 LEU QD 1 32 HIS HD2 . . 5.440 5.105 4.759 5.298 . 0 0 "[ . 1 . 2]" 1
470 1 25 LEU MD1 1 26 ASN H . . 4.990 4.551 4.320 4.656 . 0 0 "[ . 1 . 2]" 1
471 1 25 LEU MD2 1 26 ASN H . . 4.990 4.468 4.131 4.578 . 0 0 "[ . 1 . 2]" 1
472 1 25 LEU HG 1 26 ASN H . . 4.370 4.004 3.445 4.171 . 0 0 "[ . 1 . 2]" 1
473 1 25 LEU HG 1 26 ASN HA . . 4.390 3.961 3.434 4.098 . 0 0 "[ . 1 . 2]" 1
474 1 25 LEU HG 1 28 HIS HB3 . . 5.110 4.635 4.430 4.892 . 0 0 "[ . 1 . 2]" 1
475 1 25 LEU HG 1 29 LEU H . . 4.940 4.802 4.312 5.046 0.106 15 0 "[ . 1 . 2]" 1
476 1 25 LEU HG 1 29 LEU MD1 . . 3.420 2.159 1.945 2.589 . 0 0 "[ . 1 . 2]" 1
477 1 25 LEU HG 1 29 LEU MD2 . . 4.180 3.686 3.350 3.925 . 0 0 "[ . 1 . 2]" 1
478 1 25 LEU HG 1 29 LEU HG . . 3.740 3.171 2.856 3.424 . 0 0 "[ . 1 . 2]" 1
479 1 26 ASN H 1 26 ASN HB2 . . 3.280 2.396 2.146 2.504 . 0 0 "[ . 1 . 2]" 1
480 1 26 ASN H 1 26 ASN HB3 . . 3.770 3.571 3.461 3.590 . 0 0 "[ . 1 . 2]" 1
481 1 26 ASN H 1 27 VAL H . . 3.550 2.743 2.622 2.848 . 0 0 "[ . 1 . 2]" 1
482 1 26 ASN H 1 27 VAL HB . . 5.500 4.863 4.679 5.551 0.051 16 0 "[ . 1 . 2]" 1
483 1 26 ASN H 1 27 VAL QG . . 5.190 4.279 3.708 4.425 . 0 0 "[ . 1 . 2]" 1
484 1 26 ASN H 1 29 LEU MD1 . . 5.500 4.023 3.727 4.345 . 0 0 "[ . 1 . 2]" 1
485 1 26 ASN H 1 29 LEU HG . . 5.500 5.183 5.065 5.357 . 0 0 "[ . 1 . 2]" 1
486 1 26 ASN HA 1 27 VAL HA . . 4.820 4.764 4.738 4.788 . 0 0 "[ . 1 . 2]" 1
487 1 26 ASN HA 1 29 LEU H . . 4.190 3.628 3.295 3.924 . 0 0 "[ . 1 . 2]" 1
488 1 26 ASN HA 1 29 LEU HB2 . . 3.770 3.110 2.752 3.526 . 0 0 "[ . 1 . 2]" 1
489 1 26 ASN HA 1 29 LEU HB3 . . 5.500 4.692 4.391 5.018 . 0 0 "[ . 1 . 2]" 1
490 1 26 ASN HA 1 29 LEU MD1 . . 3.260 2.160 1.946 2.463 . 0 0 "[ . 1 . 2]" 1
491 1 26 ASN HA 1 29 LEU MD2 . . 4.890 4.801 4.593 4.931 0.041 15 0 "[ . 1 . 2]" 1
492 1 26 ASN HA 1 29 LEU HG . . 3.990 3.863 3.701 4.007 0.017 10 0 "[ . 1 . 2]" 1
493 1 26 ASN HB2 1 26 ASN HD22 . . 4.040 3.491 3.434 3.570 . 0 0 "[ . 1 . 2]" 1
494 1 26 ASN HB2 1 27 VAL H . . 3.550 2.468 2.353 2.749 . 0 0 "[ . 1 . 2]" 1
495 1 26 ASN HB2 1 27 VAL HA . . 5.090 4.417 4.298 4.843 . 0 0 "[ . 1 . 2]" 1
496 1 26 ASN HB2 1 27 VAL QG . . 4.510 4.225 3.257 4.365 . 0 0 "[ . 1 . 2]" 1
497 1 26 ASN HB3 1 27 VAL H . . 3.760 3.353 2.950 3.568 . 0 0 "[ . 1 . 2]" 1
498 1 26 ASN HB3 1 27 VAL HA . . 4.830 4.246 3.912 4.382 . 0 0 "[ . 1 . 2]" 1
499 1 26 ASN HB3 1 27 VAL HB . . 5.500 5.004 4.840 5.660 0.160 16 0 "[ . 1 . 2]" 1
500 1 26 ASN HB3 1 27 VAL QG . . 4.920 4.656 3.258 4.876 . 0 0 "[ . 1 . 2]" 1
501 1 26 ASN HB3 1 29 LEU MD1 . . 4.510 4.298 4.097 4.518 0.008 4 0 "[ . 1 . 2]" 1
502 1 26 ASN HD21 1 27 VAL QG . . 5.440 5.381 4.753 5.544 0.104 17 0 "[ . 1 . 2]" 1
503 1 27 VAL H 1 27 VAL HB . . 2.960 2.302 2.194 3.007 0.047 16 0 "[ . 1 . 2]" 1
504 1 27 VAL H 1 27 VAL MG1 . . 3.870 2.810 2.645 3.654 . 0 0 "[ . 1 . 2]" 1
505 1 27 VAL H 1 27 VAL QG . . 2.850 2.558 1.775 2.686 . 0 0 "[ . 1 . 2]" 1
506 1 27 VAL H 1 27 VAL MG2 . . 3.870 3.438 1.779 3.684 . 0 0 "[ . 1 . 2]" 1
507 1 27 VAL H 1 28 HIS H . . 3.180 2.625 2.535 2.766 . 0 0 "[ . 1 . 2]" 1
508 1 27 VAL H 1 28 HIS HB2 . . 5.500 5.173 4.999 5.433 . 0 0 "[ . 1 . 2]" 1
509 1 27 VAL H 1 28 HIS HB3 . . 4.870 4.704 4.602 4.786 . 0 0 "[ . 1 . 2]" 1
510 1 27 VAL H 1 29 LEU H . . 4.550 4.147 3.890 4.484 . 0 0 "[ . 1 . 2]" 1
511 1 27 VAL H 1 30 ARG QD . . 5.380 4.535 3.776 5.103 . 0 0 "[ . 1 . 2]" 1
512 1 27 VAL HA 1 27 VAL MG1 . . 3.290 3.026 2.115 3.153 . 0 0 "[ . 1 . 2]" 1
513 1 27 VAL HA 1 27 VAL QG . . 2.840 2.140 2.036 2.205 . 0 0 "[ . 1 . 2]" 1
514 1 27 VAL HA 1 27 VAL MG2 . . 3.290 2.239 2.131 2.681 . 0 0 "[ . 1 . 2]" 1
515 1 27 VAL HA 1 29 LEU H . . 4.870 4.190 3.763 4.768 . 0 0 "[ . 1 . 2]" 1
516 1 27 VAL HA 1 30 ARG H . . 4.130 3.403 3.182 3.734 . 0 0 "[ . 1 . 2]" 1
517 1 27 VAL HA 1 30 ARG HB2 . . 4.750 3.403 3.101 4.207 . 0 0 "[ . 1 . 2]" 1
518 1 27 VAL HA 1 30 ARG HB3 . . 5.200 4.483 4.349 4.753 . 0 0 "[ . 1 . 2]" 1
519 1 27 VAL HA 1 30 ARG QD . . 3.620 2.179 1.912 2.889 . 0 0 "[ . 1 . 2]" 1
520 1 27 VAL HA 1 30 ARG HG2 . . 4.260 3.572 2.061 3.989 . 0 0 "[ . 1 . 2]" 1
521 1 27 VAL HA 1 30 ARG QG . . 3.530 2.188 1.789 2.590 . 0 0 "[ . 1 . 2]" 1
522 1 27 VAL HA 1 30 ARG HG3 . . 4.260 2.231 1.964 2.623 . 0 0 "[ . 1 . 2]" 1
523 1 27 VAL HB 1 28 HIS H . . 3.840 3.527 2.411 3.924 0.084 20 0 "[ . 1 . 2]" 1
524 1 27 VAL HB 1 28 HIS HA . . 5.500 5.279 3.762 5.590 0.090 20 0 "[ . 1 . 2]" 1
525 1 27 VAL HB 1 28 HIS HB2 . . 5.500 5.616 4.472 5.844 0.344 20 0 "[ . 1 . 2]" 1
526 1 27 VAL QG 1 28 HIS HA . . 3.820 2.908 2.731 4.089 0.269 14 0 "[ . 1 . 2]" 1
527 1 27 VAL QG 1 28 HIS HB2 . . 4.830 3.284 2.983 4.745 . 0 0 "[ . 1 . 2]" 1
528 1 27 VAL QG 1 28 HIS HB3 . . 5.440 3.816 3.622 4.796 . 0 0 "[ . 1 . 2]" 1
529 1 27 VAL QG 1 29 LEU H . . 5.030 4.107 3.847 4.633 . 0 0 "[ . 1 . 2]" 1
530 1 27 VAL QG 1 30 ARG H . . 5.280 4.047 3.890 4.233 . 0 0 "[ . 1 . 2]" 1
531 1 27 VAL QG 1 30 ARG HB2 . . 4.840 3.387 3.167 4.094 . 0 0 "[ . 1 . 2]" 1
532 1 27 VAL QG 1 30 ARG HB3 . . 4.800 4.339 4.042 4.652 . 0 0 "[ . 1 . 2]" 1
533 1 27 VAL QG 1 30 ARG QD . . 3.490 2.287 1.749 3.600 0.110 20 0 "[ . 1 . 2]" 1
534 1 27 VAL QG 1 30 ARG QG . . 5.260 3.291 2.055 3.722 . 0 0 "[ . 1 . 2]" 1
535 1 27 VAL QG 1 31 LYS QE . . 4.810 3.892 2.708 5.031 0.221 8 0 "[ . 1 . 2]" 1
536 1 27 VAL MG1 1 28 HIS H . . 3.970 2.325 1.945 3.949 . 0 0 "[ . 1 . 2]" 1
537 1 27 VAL MG1 1 28 HIS HA . . 4.480 2.958 2.755 4.314 . 0 0 "[ . 1 . 2]" 1
538 1 27 VAL MG1 1 28 HIS HB2 . . 5.500 3.379 3.000 5.534 0.034 14 0 "[ . 1 . 2]" 1
539 1 27 VAL MG1 1 30 ARG QD . . 4.380 3.957 1.753 4.648 0.268 20 0 "[ . 1 . 2]" 1
540 1 27 VAL MG2 1 28 HIS H . . 3.970 3.991 3.090 4.141 0.171 17 0 "[ . 1 . 2]" 1
541 1 27 VAL MG2 1 28 HIS HA . . 4.480 4.497 4.270 5.068 0.588 14 2 "[ . 1 +.- 2]" 1
542 1 27 VAL MG2 1 28 HIS HB2 . . 5.500 5.459 5.135 5.574 0.074 5 0 "[ . 1 . 2]" 1
543 1 27 VAL MG2 1 30 ARG QD . . 4.380 2.446 1.976 4.456 0.076 14 0 "[ . 1 . 2]" 1
544 1 28 HIS H 1 28 HIS HB2 . . 3.080 2.721 2.682 2.863 . 0 0 "[ . 1 . 2]" 1
545 1 28 HIS H 1 28 HIS HB3 . . 3.010 2.372 2.338 2.398 . 0 0 "[ . 1 . 2]" 1
546 1 28 HIS H 1 28 HIS HD2 . . 4.860 4.875 4.760 4.925 0.065 17 0 "[ . 1 . 2]" 1
547 1 28 HIS H 1 29 LEU H . . 3.350 2.618 2.303 2.958 . 0 0 "[ . 1 . 2]" 1
548 1 28 HIS H 1 29 LEU HB2 . . 5.210 4.751 4.408 5.073 . 0 0 "[ . 1 . 2]" 1
549 1 28 HIS H 1 30 ARG H . . 4.610 3.989 3.841 4.171 . 0 0 "[ . 1 . 2]" 1
550 1 28 HIS HA 1 28 HIS HB2 . . 2.980 2.382 2.321 2.405 . 0 0 "[ . 1 . 2]" 1
551 1 28 HIS HA 1 28 HIS HD2 . . 4.820 4.416 4.313 4.557 . 0 0 "[ . 1 . 2]" 1
552 1 28 HIS HA 1 29 LEU HG . . 5.500 5.421 5.272 5.552 0.052 18 0 "[ . 1 . 2]" 1
553 1 28 HIS HA 1 30 ARG H . . 4.150 3.980 3.781 4.165 0.015 9 0 "[ . 1 . 2]" 1
554 1 28 HIS HA 1 31 LYS QB . . 5.020 4.260 3.440 5.027 0.007 20 0 "[ . 1 . 2]" 1
555 1 28 HIS HA 1 31 LYS QD . . 5.310 3.836 1.849 4.492 . 0 0 "[ . 1 . 2]" 1
556 1 28 HIS HA 1 31 LYS QE . . 4.810 2.295 1.967 3.446 . 0 0 "[ . 1 . 2]" 1
557 1 28 HIS HA 1 31 LYS QG . . 4.510 3.480 2.558 4.341 . 0 0 "[ . 1 . 2]" 1
558 1 28 HIS HB2 1 29 LEU H . . 4.160 4.073 3.844 4.261 0.101 15 0 "[ . 1 . 2]" 1
559 1 28 HIS HB2 1 29 LEU HG . . 5.500 5.243 5.064 5.346 . 0 0 "[ . 1 . 2]" 1
560 1 28 HIS HB3 1 28 HIS HD2 . . 3.770 2.806 2.780 2.848 . 0 0 "[ . 1 . 2]" 1
561 1 28 HIS HB3 1 29 LEU H . . 3.320 2.827 2.427 3.179 . 0 0 "[ . 1 . 2]" 1
562 1 28 HIS HB3 1 29 LEU HA . . 5.070 4.485 4.350 4.629 . 0 0 "[ . 1 . 2]" 1
563 1 28 HIS HB3 1 29 LEU HB2 . . 5.430 5.008 4.901 5.148 . 0 0 "[ . 1 . 2]" 1
564 1 28 HIS HB3 1 29 LEU MD2 . . 5.420 4.641 4.436 4.794 . 0 0 "[ . 1 . 2]" 1
565 1 28 HIS HB3 1 29 LEU HG . . 4.560 3.542 3.334 3.677 . 0 0 "[ . 1 . 2]" 1
566 1 28 HIS HD2 1 29 LEU H . . 3.970 3.723 3.031 4.095 0.125 15 0 "[ . 1 . 2]" 1
567 1 28 HIS HD2 1 29 LEU HA . . 3.540 3.261 2.914 3.448 . 0 0 "[ . 1 . 2]" 1
568 1 28 HIS HD2 1 29 LEU HB2 . . 5.210 5.110 4.749 5.216 0.006 5 0 "[ . 1 . 2]" 1
569 1 28 HIS HD2 1 29 LEU HB3 . . 5.220 5.147 4.774 5.279 0.059 12 0 "[ . 1 . 2]" 1
570 1 28 HIS HD2 1 29 LEU MD1 . . 4.720 4.541 4.266 4.643 . 0 0 "[ . 1 . 2]" 1
571 1 28 HIS HD2 1 29 LEU MD2 . . 3.550 3.065 2.795 3.244 . 0 0 "[ . 1 . 2]" 1
572 1 28 HIS HD2 1 29 LEU HG . . 4.050 3.059 2.698 3.234 . 0 0 "[ . 1 . 2]" 1
573 1 28 HIS HD2 1 32 HIS HD2 . . 3.860 2.963 2.592 3.304 . 0 0 "[ . 1 . 2]" 1
574 1 28 HIS HE1 1 31 LYS QD . . 4.370 4.050 3.331 4.396 0.026 7 0 "[ . 1 . 2]" 1
575 1 28 HIS HE1 1 31 LYS QE . . 5.120 3.912 2.517 5.164 0.044 15 0 "[ . 1 . 2]" 1
576 1 29 LEU H 1 29 LEU HB2 . . 3.050 2.413 2.339 2.538 . 0 0 "[ . 1 . 2]" 1
577 1 29 LEU H 1 29 LEU HB3 . . 3.650 3.584 3.570 3.611 . 0 0 "[ . 1 . 2]" 1
578 1 29 LEU H 1 29 LEU MD1 . . 3.520 3.319 3.153 3.558 0.038 4 0 "[ . 1 . 2]" 1
579 1 29 LEU H 1 29 LEU MD2 . . 3.970 3.802 3.594 3.991 0.021 20 0 "[ . 1 . 2]" 1
580 1 29 LEU H 1 29 LEU HG . . 3.120 2.481 2.169 2.757 . 0 0 "[ . 1 . 2]" 1
581 1 29 LEU H 1 30 ARG H . . 3.280 2.508 2.233 2.793 . 0 0 "[ . 1 . 2]" 1
582 1 29 LEU H 1 30 ARG HA . . 5.340 5.064 4.828 5.317 . 0 0 "[ . 1 . 2]" 1
583 1 29 LEU H 1 30 ARG HB2 . . 5.500 4.775 4.428 5.062 . 0 0 "[ . 1 . 2]" 1
584 1 29 LEU H 1 31 LYS H . . 4.790 4.403 4.207 4.670 . 0 0 "[ . 1 . 2]" 1
585 1 29 LEU H 1 31 LYS QE . . 5.180 4.920 4.492 5.324 0.144 8 0 "[ . 1 . 2]" 1
586 1 29 LEU H 1 31 LYS QG . . 5.340 5.030 4.384 5.424 0.084 8 0 "[ . 1 . 2]" 1
587 1 29 LEU H 1 32 HIS HD2 . . 5.130 4.609 4.426 4.782 . 0 0 "[ . 1 . 2]" 1
588 1 29 LEU HA 1 29 LEU MD1 . . 3.980 3.902 3.884 3.930 . 0 0 "[ . 1 . 2]" 1
589 1 29 LEU HA 1 29 LEU MD2 . . 3.050 2.369 2.027 2.599 . 0 0 "[ . 1 . 2]" 1
590 1 29 LEU HA 1 29 LEU HG . . 3.600 2.821 2.740 2.921 . 0 0 "[ . 1 . 2]" 1
591 1 29 LEU HA 1 30 ARG HA . . 5.000 4.863 4.772 4.959 . 0 0 "[ . 1 . 2]" 1
592 1 29 LEU HA 1 31 LYS H . . 4.250 4.001 3.437 4.263 0.013 12 0 "[ . 1 . 2]" 1
593 1 29 LEU HA 1 31 LYS QB . . 5.500 5.118 4.269 5.665 0.165 15 0 "[ . 1 . 2]" 1
594 1 29 LEU HA 1 31 LYS QG . . 5.040 4.347 3.613 5.287 0.247 8 0 "[ . 1 . 2]" 1
595 1 29 LEU HA 1 32 HIS H . . 3.910 3.217 3.039 3.501 . 0 0 "[ . 1 . 2]" 1
596 1 29 LEU HA 1 32 HIS HB2 . . 4.300 2.730 2.212 3.316 . 0 0 "[ . 1 . 2]" 1
597 1 29 LEU HA 1 32 HIS HB3 . . 5.410 4.341 3.831 4.898 . 0 0 "[ . 1 . 2]" 1
598 1 29 LEU HA 1 32 HIS HD2 . . 3.110 2.125 1.997 2.276 . 0 0 "[ . 1 . 2]" 1
599 1 29 LEU HB2 1 29 LEU MD1 . . 3.200 2.127 2.004 2.248 . 0 0 "[ . 1 . 2]" 1
600 1 29 LEU HB2 1 30 ARG H . . 3.500 3.003 2.850 3.146 . 0 0 "[ . 1 . 2]" 1
601 1 29 LEU HB2 1 30 ARG HA . . 4.880 4.353 4.252 4.452 . 0 0 "[ . 1 . 2]" 1
602 1 29 LEU HB2 1 32 HIS HB2 . . 5.500 4.932 4.433 5.328 . 0 0 "[ . 1 . 2]" 1
603 1 29 LEU HB2 1 32 HIS HD2 . . 5.080 5.005 4.817 5.108 0.028 16 0 "[ . 1 . 2]" 1
604 1 29 LEU HB2 1 33 THR MG . . 5.390 4.922 4.082 5.393 0.003 5 0 "[ . 1 . 2]" 1
605 1 29 LEU HB3 1 29 LEU MD1 . . 3.330 2.599 2.513 2.685 . 0 0 "[ . 1 . 2]" 1
606 1 29 LEU HB3 1 29 LEU MD2 . . 3.180 2.155 2.020 2.337 . 0 0 "[ . 1 . 2]" 1
607 1 29 LEU HB3 1 30 ARG H . . 4.220 3.891 3.749 4.053 . 0 0 "[ . 1 . 2]" 1
608 1 29 LEU HB3 1 30 ARG HA . . 5.020 4.506 4.398 4.652 . 0 0 "[ . 1 . 2]" 1
609 1 29 LEU HB3 1 32 HIS HD2 . . 4.880 4.149 3.721 4.374 . 0 0 "[ . 1 . 2]" 1
610 1 29 LEU HB3 1 33 THR MG . . 5.010 4.287 3.318 4.929 . 0 0 "[ . 1 . 2]" 1
611 1 29 LEU MD1 1 30 ARG H . . 5.500 4.598 4.397 4.840 . 0 0 "[ . 1 . 2]" 1
612 1 29 LEU MD1 1 32 HIS HD2 . . 5.140 5.024 4.858 5.139 . 0 0 "[ . 1 . 2]" 1
613 1 29 LEU MD2 1 30 ARG H . . 5.360 4.919 4.826 4.996 . 0 0 "[ . 1 . 2]" 1
614 1 29 LEU MD2 1 32 HIS HB2 . . 4.380 3.399 2.916 3.922 . 0 0 "[ . 1 . 2]" 1
615 1 29 LEU MD2 1 32 HIS HB3 . . 5.150 4.199 3.422 4.746 . 0 0 "[ . 1 . 2]" 1
616 1 29 LEU MD2 1 32 HIS HD2 . . 3.420 2.581 2.223 2.959 . 0 0 "[ . 1 . 2]" 1
617 1 29 LEU HG 1 30 ARG H . . 4.580 4.563 4.454 4.632 0.052 4 0 "[ . 1 . 2]" 1
618 1 29 LEU HG 1 32 HIS HD2 . . 4.470 4.017 3.757 4.239 . 0 0 "[ . 1 . 2]" 1
619 1 30 ARG H 1 30 ARG HB2 . . 2.960 2.520 2.421 2.941 . 0 0 "[ . 1 . 2]" 1
620 1 30 ARG H 1 30 ARG HB3 . . 3.650 3.584 3.532 3.597 . 0 0 "[ . 1 . 2]" 1
621 1 30 ARG H 1 30 ARG QD . . 4.040 3.707 2.427 4.019 . 0 0 "[ . 1 . 2]" 1
622 1 30 ARG H 1 30 ARG HG2 . . 3.460 3.242 1.745 3.475 0.015 7 0 "[ . 1 . 2]" 1
623 1 30 ARG H 1 30 ARG QG . . 3.030 2.152 1.739 2.323 . 0 0 "[ . 1 . 2]" 1
624 1 30 ARG H 1 30 ARG HG3 . . 3.460 2.322 2.028 3.344 . 0 0 "[ . 1 . 2]" 1
625 1 30 ARG H 1 31 LYS H . . 3.170 2.758 2.546 3.038 . 0 0 "[ . 1 . 2]" 1
626 1 30 ARG H 1 31 LYS QB . . 5.200 4.847 4.437 5.231 0.031 10 0 "[ . 1 . 2]" 1
627 1 30 ARG H 1 31 LYS QE . . 5.480 4.848 4.185 5.556 0.076 8 0 "[ . 1 . 2]" 1
628 1 30 ARG H 1 33 THR MG . . 5.410 4.395 3.922 4.946 . 0 0 "[ . 1 . 2]" 1
629 1 30 ARG HA 1 30 ARG QD . . 4.460 3.926 2.112 4.241 . 0 0 "[ . 1 . 2]" 1
630 1 30 ARG HA 1 30 ARG HG2 . . 3.830 2.589 2.356 3.383 . 0 0 "[ . 1 . 2]" 1
631 1 30 ARG HA 1 30 ARG QG . . 3.080 2.467 2.294 3.182 0.102 20 0 "[ . 1 . 2]" 1
632 1 30 ARG HA 1 30 ARG HG3 . . 3.830 3.131 2.972 3.874 0.044 20 0 "[ . 1 . 2]" 1
633 1 30 ARG HA 1 32 HIS H . . 4.480 4.003 3.634 4.302 . 0 0 "[ . 1 . 2]" 1
634 1 30 ARG HA 1 33 THR MG . . 3.450 2.323 1.849 3.030 . 0 0 "[ . 1 . 2]" 1
635 1 30 ARG HB2 1 30 ARG QD . . 3.270 2.518 2.222 3.412 0.142 20 0 "[ . 1 . 2]" 1
636 1 30 ARG HB2 1 31 LYS H . . 3.730 2.695 2.319 3.186 . 0 0 "[ . 1 . 2]" 1
637 1 30 ARG HB3 1 30 ARG QD . . 3.300 2.627 2.141 2.938 . 0 0 "[ . 1 . 2]" 1
638 1 30 ARG HB3 1 31 LYS H . . 3.940 3.687 3.443 4.045 0.105 8 0 "[ . 1 . 2]" 1
639 1 30 ARG HB3 1 31 LYS HA . . 4.850 4.428 4.243 4.705 . 0 0 "[ . 1 . 2]" 1
640 1 30 ARG HB3 1 33 THR MG . . 5.500 3.846 3.169 4.762 . 0 0 "[ . 1 . 2]" 1
641 1 30 ARG QD 1 31 LYS H . . 5.270 4.846 4.537 5.301 0.031 8 0 "[ . 1 . 2]" 1
642 1 30 ARG QG 1 31 LYS H . . 4.210 4.074 3.486 4.250 0.040 8 0 "[ . 1 . 2]" 1
643 1 31 LYS H 1 31 LYS QB . . 2.910 2.430 2.163 2.653 . 0 0 "[ . 1 . 2]" 1
644 1 31 LYS H 1 31 LYS QD . . 4.860 3.895 1.866 4.523 . 0 0 "[ . 1 . 2]" 1
645 1 31 LYS H 1 31 LYS QE . . 4.980 3.521 2.705 3.897 . 0 0 "[ . 1 . 2]" 1
646 1 31 LYS H 1 31 LYS QG . . 3.300 2.309 1.843 2.825 . 0 0 "[ . 1 . 2]" 1
647 1 31 LYS H 1 32 HIS H . . 3.140 2.550 2.364 2.711 . 0 0 "[ . 1 . 2]" 1
648 1 31 LYS H 1 32 HIS HB2 . . 4.980 4.566 4.331 4.979 . 0 0 "[ . 1 . 2]" 1
649 1 31 LYS H 1 32 HIS HD2 . . 5.330 5.074 4.539 5.371 0.041 20 0 "[ . 1 . 2]" 1
650 1 31 LYS HA 1 31 LYS QD . . 4.760 4.227 3.964 4.498 . 0 0 "[ . 1 . 2]" 1
651 1 31 LYS HA 1 31 LYS QE . . 5.170 4.713 4.248 5.295 0.125 17 0 "[ . 1 . 2]" 1
652 1 31 LYS HA 1 31 LYS QG . . 3.490 2.997 2.511 3.373 . 0 0 "[ . 1 . 2]" 1
653 1 31 LYS HA 1 33 THR MG . . 5.500 4.542 4.139 5.323 . 0 0 "[ . 1 . 2]" 1
654 1 31 LYS QB 1 31 LYS QE . . 3.380 2.682 1.860 3.429 0.049 1 0 "[ . 1 . 2]" 1
655 1 31 LYS QB 1 32 HIS H . . 3.630 3.290 2.643 3.729 0.099 15 0 "[ . 1 . 2]" 1
656 1 31 LYS QE 1 31 LYS QG . . 3.270 2.218 2.023 2.990 . 0 0 "[ . 1 . 2]" 1
657 1 31 LYS QE 1 32 HIS H . . 5.500 4.776 3.982 5.603 0.103 3 0 "[ . 1 . 2]" 1
658 1 31 LYS QG 1 32 HIS H . . 4.310 3.068 2.188 4.219 . 0 0 "[ . 1 . 2]" 1
659 1 32 HIS H 1 32 HIS HB2 . . 3.200 2.284 2.185 2.499 . 0 0 "[ . 1 . 2]" 1
660 1 32 HIS H 1 32 HIS HB3 . . 3.680 3.552 3.484 3.669 . 0 0 "[ . 1 . 2]" 1
661 1 32 HIS H 1 32 HIS HD2 . . 3.880 3.662 3.386 3.894 0.014 15 0 "[ . 1 . 2]" 1
662 1 32 HIS H 1 33 THR H . . 4.140 2.715 2.470 2.873 . 0 0 "[ . 1 . 2]" 1
663 1 32 HIS H 1 33 THR MG . . 4.320 3.547 3.046 3.925 . 0 0 "[ . 1 . 2]" 1
664 1 32 HIS HB2 1 32 HIS HD2 . . 3.440 2.692 2.689 2.702 . 0 0 "[ . 1 . 2]" 1
665 1 32 HIS HB2 1 33 THR MG . . 4.740 3.777 3.028 4.200 . 0 0 "[ . 1 . 2]" 1
666 1 32 HIS HB3 1 32 HIS HD2 . . 3.740 3.654 3.579 3.714 . 0 0 "[ . 1 . 2]" 1
667 1 32 HIS HB3 1 33 THR MG . . 4.880 4.371 3.370 4.889 0.009 19 0 "[ . 1 . 2]" 1
668 1 33 THR H 1 33 THR MG . . 4.720 2.337 1.858 2.942 . 0 0 "[ . 1 . 2]" 1
669 1 33 THR HA 1 33 THR MG . . 3.300 2.492 2.250 3.139 . 0 0 "[ . 1 . 2]" 1
670 1 33 THR HA 1 34 GLY HA2 . . 5.310 4.616 4.390 4.773 . 0 0 "[ . 1 . 2]" 1
671 1 33 THR HA 1 34 GLY QA . . 4.670 4.084 3.962 4.399 . 0 0 "[ . 1 . 2]" 1
672 1 33 THR HA 1 34 GLY HA3 . . 5.310 4.591 4.347 5.340 0.030 10 0 "[ . 1 . 2]" 1
673 1 33 THR HB 1 34 GLY H . . 5.500 2.662 1.924 4.071 . 0 0 "[ . 1 . 2]" 1
674 1 33 THR HB 1 34 GLY HA2 . . 5.500 4.409 3.915 5.537 0.037 14 0 "[ . 1 . 2]" 1
675 1 33 THR HB 1 34 GLY HA3 . . 5.500 4.675 4.055 5.603 0.103 17 0 "[ . 1 . 2]" 1
676 1 33 THR MG 1 34 GLY HA2 . . 5.500 5.320 4.454 5.515 0.015 18 0 "[ . 1 . 2]" 1
677 1 33 THR MG 1 34 GLY HA3 . . 5.500 5.281 3.892 5.566 0.066 10 0 "[ . 1 . 2]" 1
678 1 34 GLY QA 1 35 GLU QB . . 4.420 4.010 3.810 4.439 0.019 2 0 "[ . 1 . 2]" 1
679 1 34 GLY QA 1 47 LEU QD . . 4.620 3.225 2.223 4.595 . 0 0 "[ . 1 . 2]" 1
680 1 34 GLY HA2 1 35 GLU QB . . 5.290 4.554 4.085 5.078 . 0 0 "[ . 1 . 2]" 1
681 1 34 GLY HA3 1 35 GLU QB . . 5.290 4.541 4.014 5.190 . 0 0 "[ . 1 . 2]" 1
682 1 35 GLU H 1 35 GLU QB . . 3.320 2.352 2.131 3.092 . 0 0 "[ . 1 . 2]" 1
683 1 35 GLU H 1 35 GLU HG2 . . 4.770 4.324 2.026 4.775 0.005 7 0 "[ . 1 . 2]" 1
684 1 35 GLU H 1 35 GLU QG . . 4.150 3.626 1.999 4.185 0.035 7 0 "[ . 1 . 2]" 1
685 1 35 GLU H 1 35 GLU HG3 . . 4.770 4.023 2.983 4.629 . 0 0 "[ . 1 . 2]" 1
686 1 35 GLU H 1 36 LYS H . . 4.700 4.502 4.275 4.642 . 0 0 "[ . 1 . 2]" 1
687 1 35 GLU HA 1 35 GLU HG2 . . 3.860 3.317 2.376 3.802 . 0 0 "[ . 1 . 2]" 1
688 1 35 GLU HA 1 35 GLU HG3 . . 3.860 2.642 2.169 3.871 0.011 2 0 "[ . 1 . 2]" 1
689 1 35 GLU HA 1 36 LYS H . . 2.660 2.245 2.138 2.473 . 0 0 "[ . 1 . 2]" 1
690 1 35 GLU HA 1 36 LYS QB . . 4.490 4.254 4.136 4.482 . 0 0 "[ . 1 . 2]" 1
691 1 35 GLU HA 1 36 LYS HG2 . . 5.050 4.740 4.217 5.090 0.040 20 0 "[ . 1 . 2]" 1
692 1 35 GLU HA 1 36 LYS QG . . 4.310 4.133 4.001 4.348 0.038 8 0 "[ . 1 . 2]" 1
693 1 35 GLU HA 1 36 LYS HG3 . . 5.050 4.696 4.267 5.143 0.093 17 0 "[ . 1 . 2]" 1
694 1 35 GLU HA 1 37 PHE H . . 5.500 5.511 5.373 5.569 0.069 8 0 "[ . 1 . 2]" 1
695 1 35 GLU HA 1 37 PHE QE . . 5.500 4.935 4.291 5.176 . 0 0 "[ . 1 . 2]" 1
696 1 35 GLU HA 1 37 PHE HZ . . 5.500 5.385 4.862 5.514 0.014 13 0 "[ . 1 . 2]" 1
697 1 35 GLU HA 1 47 LEU QD . . 5.050 4.235 3.331 5.107 0.057 8 0 "[ . 1 . 2]" 1
698 1 35 GLU QB 1 36 LYS H . . 3.850 3.235 2.242 3.831 . 0 0 "[ . 1 . 2]" 1
699 1 35 GLU QB 1 36 LYS QB . . 5.500 4.956 3.859 5.424 . 0 0 "[ . 1 . 2]" 1
700 1 35 GLU QB 1 37 PHE H . . 5.070 4.526 4.156 4.995 . 0 0 "[ . 1 . 2]" 1
701 1 35 GLU QB 1 37 PHE QD . . 4.530 3.919 3.498 4.556 0.026 2 0 "[ . 1 . 2]" 1
702 1 35 GLU QB 1 37 PHE QE . . 4.180 2.778 2.397 3.943 . 0 0 "[ . 1 . 2]" 1
703 1 35 GLU QB 1 37 PHE HZ . . 4.580 2.926 2.225 4.589 0.009 2 0 "[ . 1 . 2]" 1
704 1 35 GLU QG 1 36 LYS H . . 3.900 3.046 1.872 3.905 0.005 12 0 "[ . 1 . 2]" 1
705 1 35 GLU QG 1 37 PHE QE . . 4.540 3.254 1.892 4.513 . 0 0 "[ . 1 . 2]" 1
706 1 35 GLU QG 1 47 LEU QD . . 5.280 4.878 3.111 5.289 0.009 8 0 "[ . 1 . 2]" 1
707 1 35 GLU HG2 1 36 LYS H . . 4.610 3.969 2.399 4.621 0.011 2 0 "[ . 1 . 2]" 1
708 1 35 GLU HG2 1 37 PHE QE . . 5.210 3.500 1.992 4.964 . 0 0 "[ . 1 . 2]" 1
709 1 35 GLU HG2 1 37 PHE HZ . . 5.500 3.552 2.000 5.089 . 0 0 "[ . 1 . 2]" 1
710 1 35 GLU HG3 1 36 LYS H . . 4.610 3.351 1.878 4.609 . 0 0 "[ . 1 . 2]" 1
711 1 35 GLU HG3 1 37 PHE QE . . 5.210 4.157 2.003 5.186 . 0 0 "[ . 1 . 2]" 1
712 1 35 GLU HG3 1 37 PHE HZ . . 5.500 4.366 3.109 5.505 0.005 16 0 "[ . 1 . 2]" 1
713 1 36 LYS H 1 36 LYS QB . . 3.110 2.397 2.208 2.677 . 0 0 "[ . 1 . 2]" 1
714 1 36 LYS H 1 36 LYS QE . . 5.500 5.185 4.379 5.519 0.019 1 0 "[ . 1 . 2]" 1
715 1 36 LYS H 1 36 LYS HG2 . . 4.080 3.653 3.101 3.992 . 0 0 "[ . 1 . 2]" 1
716 1 36 LYS H 1 36 LYS HG3 . . 4.080 3.554 2.949 4.036 . 0 0 "[ . 1 . 2]" 1
717 1 36 LYS H 1 37 PHE H . . 4.330 4.081 3.925 4.249 . 0 0 "[ . 1 . 2]" 1
718 1 36 LYS H 1 37 PHE QD . . 5.500 4.969 4.650 5.330 . 0 0 "[ . 1 . 2]" 1
719 1 36 LYS H 1 47 LEU QD . . 4.790 4.223 3.601 4.751 . 0 0 "[ . 1 . 2]" 1
720 1 36 LYS HA 1 36 LYS HD3 . . 4.160 3.680 2.669 4.149 . 0 0 "[ . 1 . 2]" 1
721 1 36 LYS HA 1 36 LYS QE . . 4.840 3.587 1.970 4.695 . 0 0 "[ . 1 . 2]" 1
722 1 36 LYS HA 1 36 LYS QG . . 3.540 2.263 2.161 2.357 . 0 0 "[ . 1 . 2]" 1
723 1 36 LYS HA 1 37 PHE H . . 2.760 2.185 2.148 2.221 . 0 0 "[ . 1 . 2]" 1
724 1 36 LYS HA 1 37 PHE QB . . 5.160 4.585 4.484 4.687 . 0 0 "[ . 1 . 2]" 1
725 1 36 LYS HA 1 37 PHE QD . . 4.220 3.805 3.494 4.281 0.061 20 0 "[ . 1 . 2]" 1
726 1 36 LYS HA 1 37 PHE QE . . 5.130 4.862 4.477 5.171 0.041 9 0 "[ . 1 . 2]" 1
727 1 36 LYS HA 1 38 ALA H . . 5.500 5.314 4.982 5.530 0.030 13 0 "[ . 1 . 2]" 1
728 1 36 LYS HA 1 45 THR HB . . 4.860 4.419 4.127 4.656 . 0 0 "[ . 1 . 2]" 1
729 1 36 LYS HA 1 46 CYS H . . 4.230 3.921 3.487 4.205 . 0 0 "[ . 1 . 2]" 1
730 1 36 LYS HA 1 47 LEU QD . . 3.700 2.851 2.453 3.094 . 0 0 "[ . 1 . 2]" 1
731 1 36 LYS QB 1 36 LYS QE . . 3.970 3.244 2.329 3.704 . 0 0 "[ . 1 . 2]" 1
732 1 36 LYS QB 1 37 PHE H . . 3.720 3.649 3.513 3.731 0.011 11 0 "[ . 1 . 2]" 1
733 1 36 LYS QB 1 37 PHE QD . . 5.340 5.238 5.051 5.374 0.034 2 0 "[ . 1 . 2]" 1
734 1 36 LYS QB 1 45 THR HA . . 5.170 5.003 4.521 5.140 . 0 0 "[ . 1 . 2]" 1
735 1 36 LYS QB 1 45 THR HB . . 3.810 3.434 3.016 3.726 . 0 0 "[ . 1 . 2]" 1
736 1 36 LYS QB 1 45 THR MG . . 3.800 3.349 3.000 3.644 . 0 0 "[ . 1 . 2]" 1
737 1 36 LYS QB 1 46 CYS H . . 4.410 4.330 3.979 4.474 0.064 11 0 "[ . 1 . 2]" 1
738 1 36 LYS QB 1 47 LEU QD . . 3.940 3.784 3.468 4.012 0.072 3 0 "[ . 1 . 2]" 1
739 1 36 LYS HD3 1 37 PHE H . . 5.500 5.228 4.174 5.570 0.070 8 0 "[ . 1 . 2]" 1
740 1 36 LYS HD3 1 45 THR HB . . 4.120 3.053 2.315 3.937 . 0 0 "[ . 1 . 2]" 1
741 1 36 LYS HD3 1 45 THR MG . . 4.270 3.471 3.082 3.934 . 0 0 "[ . 1 . 2]" 1
742 1 36 LYS HD3 1 46 CYS H . . 5.500 4.782 3.401 5.531 0.031 8 0 "[ . 1 . 2]" 1
743 1 36 LYS HD3 1 47 LEU QD . . 4.320 3.732 2.368 4.225 . 0 0 "[ . 1 . 2]" 1
744 1 36 LYS QE 1 45 THR HB . . 4.400 3.669 1.955 4.425 0.025 20 0 "[ . 1 . 2]" 1
745 1 36 LYS QE 1 45 THR MG . . 5.140 4.368 3.108 4.876 . 0 0 "[ . 1 . 2]" 1
746 1 36 LYS QE 1 47 LEU MD1 . . 4.750 3.102 1.845 4.750 . 0 0 "[ . 1 . 2]" 1
747 1 36 LYS QE 1 47 LEU QD . . 3.790 2.153 1.654 2.900 . 0 0 "[ . 1 . 2]" 1
748 1 36 LYS QE 1 47 LEU MD2 . . 4.750 2.560 1.777 4.277 . 0 0 "[ . 1 . 2]" 1
749 1 36 LYS QE 1 47 LEU HG . . 5.350 4.168 2.448 4.933 . 0 0 "[ . 1 . 2]" 1
750 1 36 LYS QG 1 37 PHE H . . 4.260 4.259 4.105 4.428 0.168 11 0 "[ . 1 . 2]" 1
751 1 36 LYS QG 1 45 THR HB . . 5.130 4.402 3.633 4.733 . 0 0 "[ . 1 . 2]" 1
752 1 36 LYS QG 1 47 LEU QD . . 3.540 2.184 1.902 2.548 . 0 0 "[ . 1 . 2]" 1
753 1 37 PHE H 1 37 PHE QB . . 3.160 2.585 2.493 2.717 . 0 0 "[ . 1 . 2]" 1
754 1 37 PHE H 1 37 PHE QD . . 3.480 2.267 1.897 2.683 . 0 0 "[ . 1 . 2]" 1
755 1 37 PHE H 1 37 PHE QE . . 4.510 4.100 3.760 4.534 0.024 8 0 "[ . 1 . 2]" 1
756 1 37 PHE H 1 45 THR HA . . 5.280 4.890 4.678 5.173 . 0 0 "[ . 1 . 2]" 1
757 1 37 PHE H 1 45 THR HB . . 5.180 4.749 4.348 5.053 . 0 0 "[ . 1 . 2]" 1
758 1 37 PHE H 1 45 THR MG . . 4.980 4.873 4.712 4.983 0.003 10 0 "[ . 1 . 2]" 1
759 1 37 PHE H 1 46 CYS H . . 3.550 3.162 2.839 3.521 . 0 0 "[ . 1 . 2]" 1
760 1 37 PHE H 1 47 LEU QD . . 4.360 4.122 3.694 4.369 0.009 7 0 "[ . 1 . 2]" 1
761 1 37 PHE H 1 48 SER H . . 5.290 4.434 3.731 5.298 0.008 13 0 "[ . 1 . 2]" 1
762 1 37 PHE H 1 52 LEU MD2 . . 4.640 4.327 4.082 4.581 . 0 0 "[ . 1 . 2]" 1
763 1 37 PHE HA 1 37 PHE QD . . 3.790 2.982 2.772 3.180 . 0 0 "[ . 1 . 2]" 1
764 1 37 PHE HA 1 37 PHE QE . . 5.110 4.784 4.637 4.917 . 0 0 "[ . 1 . 2]" 1
765 1 37 PHE HA 1 38 ALA H . . 2.690 2.189 2.152 2.270 . 0 0 "[ . 1 . 2]" 1
766 1 37 PHE HA 1 38 ALA MB . . 4.100 4.037 3.972 4.099 . 0 0 "[ . 1 . 2]" 1
767 1 37 PHE HA 1 45 THR MG . . 5.060 4.904 4.730 5.055 . 0 0 "[ . 1 . 2]" 1
768 1 37 PHE HA 1 46 CYS H . . 5.150 4.844 4.536 5.094 . 0 0 "[ . 1 . 2]" 1
769 1 37 PHE HA 1 52 LEU MD2 . . 4.050 3.550 3.277 4.011 . 0 0 "[ . 1 . 2]" 1
770 1 37 PHE QB 1 38 ALA H . . 3.700 3.607 3.498 3.759 0.059 20 0 "[ . 1 . 2]" 1
771 1 37 PHE QB 1 45 THR MG . . 5.500 5.240 5.078 5.343 . 0 0 "[ . 1 . 2]" 1
772 1 37 PHE QB 1 46 CYS H . . 4.010 3.767 3.322 4.035 0.025 20 0 "[ . 1 . 2]" 1
773 1 37 PHE QB 1 46 CYS HB3 . . 5.490 3.619 3.095 4.039 . 0 0 "[ . 1 . 2]" 1
774 1 37 PHE QB 1 48 SER H . . 5.050 4.469 3.459 5.059 0.009 4 0 "[ . 1 . 2]" 1
775 1 37 PHE QB 1 49 LYS HA . . 4.380 2.959 2.459 3.685 . 0 0 "[ . 1 . 2]" 1
776 1 37 PHE QB 1 52 LEU H . . 5.160 4.593 4.173 5.102 . 0 0 "[ . 1 . 2]" 1
777 1 37 PHE QB 1 52 LEU HA . . 5.500 4.918 4.629 5.326 . 0 0 "[ . 1 . 2]" 1
778 1 37 PHE QB 1 52 LEU HB2 . . 4.200 2.794 2.530 3.178 . 0 0 "[ . 1 . 2]" 1
779 1 37 PHE QB 1 52 LEU HB3 . . 4.320 3.352 3.035 3.722 . 0 0 "[ . 1 . 2]" 1
780 1 37 PHE QB 1 52 LEU MD2 . . 3.180 1.823 1.705 1.952 . 0 0 "[ . 1 . 2]" 1
781 1 37 PHE QB 1 52 LEU HG . . 5.110 4.204 3.998 4.508 . 0 0 "[ . 1 . 2]" 1
782 1 37 PHE QD 1 46 CYS H . . 4.790 4.415 3.875 4.722 . 0 0 "[ . 1 . 2]" 1
783 1 37 PHE QD 1 46 CYS HB3 . . 5.210 3.838 3.186 4.487 . 0 0 "[ . 1 . 2]" 1
784 1 37 PHE QD 1 47 LEU QD . . 4.930 4.472 3.947 4.941 0.011 9 0 "[ . 1 . 2]" 1
785 1 37 PHE QD 1 48 SER H . . 4.110 3.126 2.179 4.053 . 0 0 "[ . 1 . 2]" 1
786 1 37 PHE QD 1 48 SER HA . . 4.280 3.849 3.584 4.170 . 0 0 "[ . 1 . 2]" 1
787 1 37 PHE QD 1 49 LYS H . . 4.030 3.263 2.156 4.037 0.007 6 0 "[ . 1 . 2]" 1
788 1 37 PHE QD 1 49 LYS HA . . 4.340 3.184 2.777 3.646 . 0 0 "[ . 1 . 2]" 1
789 1 37 PHE QD 1 49 LYS QB . . 5.340 3.412 2.339 4.652 . 0 0 "[ . 1 . 2]" 1
790 1 37 PHE QD 1 49 LYS QD . . 4.900 4.268 2.962 4.944 0.044 18 0 "[ . 1 . 2]" 1
791 1 37 PHE QD 1 49 LYS QE . . 5.200 4.721 3.281 5.296 0.096 8 0 "[ . 1 . 2]" 1
792 1 37 PHE QD 1 49 LYS QG . . 4.650 3.901 2.883 4.751 0.101 12 0 "[ . 1 . 2]" 1
793 1 37 PHE QD 1 52 LEU H . . 5.500 5.131 4.156 5.474 . 0 0 "[ . 1 . 2]" 1
794 1 37 PHE QD 1 52 LEU HB2 . . 4.510 4.245 3.026 4.528 0.018 3 0 "[ . 1 . 2]" 1
795 1 37 PHE QD 1 52 LEU MD2 . . 3.860 3.422 3.195 3.573 . 0 0 "[ . 1 . 2]" 1
796 1 37 PHE QE 1 48 SER HA . . 4.200 2.998 2.199 3.578 . 0 0 "[ . 1 . 2]" 1
797 1 37 PHE QE 1 49 LYS H . . 4.320 2.636 2.024 3.306 . 0 0 "[ . 1 . 2]" 1
798 1 37 PHE QE 1 49 LYS HA . . 4.300 4.044 3.437 4.318 0.018 19 0 "[ . 1 . 2]" 1
799 1 37 PHE QE 1 49 LYS QB . . 4.370 3.263 2.647 4.215 . 0 0 "[ . 1 . 2]" 1
800 1 37 PHE QE 1 49 LYS QD . . 4.270 3.262 2.035 4.320 0.050 8 0 "[ . 1 . 2]" 1
801 1 37 PHE QE 1 49 LYS QE . . 4.140 3.312 1.952 4.151 0.011 7 0 "[ . 1 . 2]" 1
802 1 37 PHE QE 1 49 LYS QG . . 4.170 3.123 2.427 4.163 . 0 0 "[ . 1 . 2]" 1
803 1 37 PHE QE 1 52 LEU MD2 . . 5.120 5.003 4.732 5.131 0.011 8 0 "[ . 1 . 2]" 1
804 1 37 PHE HZ 1 48 SER HA . . 5.500 4.892 3.405 5.521 0.021 3 0 "[ . 1 . 2]" 1
805 1 37 PHE HZ 1 49 LYS QB . . 4.520 3.736 2.808 4.603 0.083 14 0 "[ . 1 . 2]" 1
806 1 37 PHE HZ 1 49 LYS QD . . 4.920 3.507 2.130 4.810 . 0 0 "[ . 1 . 2]" 1
807 1 37 PHE HZ 1 49 LYS QE . . 4.750 3.299 1.870 4.751 0.001 5 0 "[ . 1 . 2]" 1
808 1 37 PHE HZ 1 49 LYS QG . . 4.460 3.252 2.411 4.480 0.020 12 0 "[ . 1 . 2]" 1
809 1 38 ALA H 1 38 ALA MB . . 2.950 2.187 2.084 2.283 . 0 0 "[ . 1 . 2]" 1
810 1 38 ALA H 1 45 THR MG . . 4.320 3.541 3.298 3.865 . 0 0 "[ . 1 . 2]" 1
811 1 38 ALA H 1 52 LEU MD2 . . 4.360 3.899 3.499 4.269 . 0 0 "[ . 1 . 2]" 1
812 1 38 ALA HA 1 39 CYS H . . 3.030 2.274 2.187 2.338 . 0 0 "[ . 1 . 2]" 1
813 1 38 ALA HA 1 39 CYS HA . . 4.410 4.325 4.317 4.330 . 0 0 "[ . 1 . 2]" 1
814 1 38 ALA HA 1 39 CYS HB3 . . 4.800 4.729 4.683 4.823 0.023 5 0 "[ . 1 . 2]" 1
815 1 38 ALA HA 1 45 THR MG . . 3.230 2.104 1.955 2.344 . 0 0 "[ . 1 . 2]" 1
816 1 38 ALA MB 1 39 CYS H . . 3.390 2.712 2.580 2.942 . 0 0 "[ . 1 . 2]" 1
817 1 38 ALA MB 1 39 CYS HA . . 4.600 4.344 4.244 4.485 . 0 0 "[ . 1 . 2]" 1
818 1 38 ALA MB 1 39 CYS HB2 . . 5.240 4.930 4.822 5.010 . 0 0 "[ . 1 . 2]" 1
819 1 38 ALA MB 1 39 CYS HB3 . . 4.450 4.458 4.378 4.515 0.065 18 0 "[ . 1 . 2]" 1
820 1 38 ALA MB 1 40 ASP HA . . 4.900 4.835 4.774 4.897 . 0 0 "[ . 1 . 2]" 1
821 1 38 ALA MB 1 45 THR HB . . 4.380 4.184 4.083 4.342 . 0 0 "[ . 1 . 2]" 1
822 1 38 ALA MB 1 45 THR MG . . 3.060 1.996 1.889 2.139 . 0 0 "[ . 1 . 2]" 1
823 1 38 ALA MB 1 46 CYS H . . 5.000 4.792 4.652 5.012 0.012 20 0 "[ . 1 . 2]" 1
824 1 39 CYS H 1 39 CYS HB2 . . 3.190 2.629 2.487 2.732 . 0 0 "[ . 1 . 2]" 1
825 1 39 CYS H 1 39 CYS HB3 . . 3.260 2.475 2.433 2.567 . 0 0 "[ . 1 . 2]" 1
826 1 39 CYS H 1 40 ASP H . . 4.610 4.584 4.568 4.603 . 0 0 "[ . 1 . 2]" 1
827 1 39 CYS H 1 42 CYS H . . 4.700 4.698 4.630 4.750 0.050 19 0 "[ . 1 . 2]" 1
828 1 39 CYS H 1 44 PHE H . . 4.800 3.431 3.345 3.596 . 0 0 "[ . 1 . 2]" 1
829 1 39 CYS H 1 44 PHE HB2 . . 4.900 4.854 4.660 4.924 0.024 13 0 "[ . 1 . 2]" 1
830 1 39 CYS H 1 44 PHE HB3 . . 4.280 3.308 3.099 3.387 . 0 0 "[ . 1 . 2]" 1
831 1 39 CYS H 1 44 PHE QD . . 4.040 2.983 2.674 3.218 . 0 0 "[ . 1 . 2]" 1
832 1 39 CYS H 1 45 THR H . . 4.760 4.560 4.408 4.660 . 0 0 "[ . 1 . 2]" 1
833 1 39 CYS H 1 45 THR HB . . 5.500 5.518 5.490 5.557 0.057 3 0 "[ . 1 . 2]" 1
834 1 39 CYS H 1 45 THR MG . . 3.830 3.402 3.323 3.469 . 0 0 "[ . 1 . 2]" 1
835 1 39 CYS H 1 46 CYS H . . 5.330 5.245 5.102 5.349 0.019 3 0 "[ . 1 . 2]" 1
836 1 39 CYS H 1 52 LEU MD1 . . 4.090 3.308 3.070 3.473 . 0 0 "[ . 1 . 2]" 1
837 1 39 CYS H 1 55 HIS HD2 . . 5.500 5.499 5.475 5.530 0.030 13 0 "[ . 1 . 2]" 1
838 1 39 CYS HA 1 40 ASP H . . 3.010 2.190 2.161 2.206 . 0 0 "[ . 1 . 2]" 1
839 1 39 CYS HA 1 40 ASP QB . . 4.110 4.073 4.010 4.155 0.045 12 0 "[ . 1 . 2]" 1
840 1 39 CYS HA 1 41 TYR H . . 4.100 3.719 3.602 3.773 . 0 0 "[ . 1 . 2]" 1
841 1 39 CYS HA 1 41 TYR QD . . 4.970 4.080 3.954 4.263 . 0 0 "[ . 1 . 2]" 1
842 1 39 CYS HA 1 42 CYS H . . 4.750 4.584 4.429 4.672 . 0 0 "[ . 1 . 2]" 1
843 1 39 CYS HA 1 44 PHE QD . . 4.470 3.787 3.583 3.936 . 0 0 "[ . 1 . 2]" 1
844 1 39 CYS HA 1 52 LEU MD1 . . 3.210 1.971 1.908 2.060 . 0 0 "[ . 1 . 2]" 1
845 1 39 CYS HA 1 52 LEU MD2 . . 4.160 3.193 2.835 3.462 . 0 0 "[ . 1 . 2]" 1
846 1 39 CYS HA 1 56 ILE MD . . 4.050 3.317 2.838 3.690 . 0 0 "[ . 1 . 2]" 1
847 1 39 CYS HB2 1 40 ASP H . . 4.510 4.104 4.067 4.197 . 0 0 "[ . 1 . 2]" 1
848 1 39 CYS HB2 1 41 TYR H . . 4.150 4.138 4.111 4.168 0.018 13 0 "[ . 1 . 2]" 1
849 1 39 CYS HB2 1 41 TYR HB2 . . 5.500 4.902 4.875 4.949 . 0 0 "[ . 1 . 2]" 1
850 1 39 CYS HB2 1 41 TYR QD . . 5.500 4.906 4.727 5.159 . 0 0 "[ . 1 . 2]" 1
851 1 39 CYS HB2 1 42 CYS H . . 4.260 4.008 3.884 4.069 . 0 0 "[ . 1 . 2]" 1
852 1 39 CYS HB2 1 44 PHE HA . . 5.350 4.920 4.760 5.107 . 0 0 "[ . 1 . 2]" 1
853 1 39 CYS HB2 1 44 PHE HB2 . . 4.310 3.888 3.702 4.134 . 0 0 "[ . 1 . 2]" 1
854 1 39 CYS HB2 1 44 PHE HB3 . . 3.820 2.188 2.004 2.444 . 0 0 "[ . 1 . 2]" 1
855 1 39 CYS HB2 1 44 PHE QD . . 3.790 2.042 1.993 2.149 . 0 0 "[ . 1 . 2]" 1
856 1 39 CYS HB2 1 44 PHE QE . . 4.860 4.139 3.986 4.238 . 0 0 "[ . 1 . 2]" 1
857 1 39 CYS HB2 1 45 THR MG . . 5.500 5.295 5.188 5.392 . 0 0 "[ . 1 . 2]" 1
858 1 39 CYS HB2 1 52 LEU MD1 . . 3.450 2.569 2.240 2.907 . 0 0 "[ . 1 . 2]" 1
859 1 39 CYS HB2 1 52 LEU MD2 . . 5.010 4.557 4.238 4.923 . 0 0 "[ . 1 . 2]" 1
860 1 39 CYS HB2 1 52 LEU HG . . 5.500 5.143 4.675 5.501 0.001 6 0 "[ . 1 . 2]" 1
861 1 39 CYS HB2 1 55 HIS HD2 . . 3.890 2.896 2.805 3.077 . 0 0 "[ . 1 . 2]" 1
862 1 39 CYS HB2 1 56 ILE MD . . 5.500 4.254 3.838 4.540 . 0 0 "[ . 1 . 2]" 1
863 1 39 CYS HB3 1 40 ASP H . . 4.360 4.074 3.993 4.141 . 0 0 "[ . 1 . 2]" 1
864 1 39 CYS HB3 1 41 TYR H . . 4.480 3.129 3.072 3.187 . 0 0 "[ . 1 . 2]" 1
865 1 39 CYS HB3 1 42 CYS H . . 3.890 2.544 2.443 2.634 . 0 0 "[ . 1 . 2]" 1
866 1 39 CYS HB3 1 44 PHE H . . 3.990 2.491 2.365 2.610 . 0 0 "[ . 1 . 2]" 1
867 1 39 CYS HB3 1 44 PHE HA . . 5.010 4.611 4.532 4.725 . 0 0 "[ . 1 . 2]" 1
868 1 39 CYS HB3 1 44 PHE HB2 . . 4.030 3.768 3.652 3.942 . 0 0 "[ . 1 . 2]" 1
869 1 39 CYS HB3 1 44 PHE HB3 . . 3.840 2.178 2.072 2.309 . 0 0 "[ . 1 . 2]" 1
870 1 39 CYS HB3 1 44 PHE QD . . 3.600 3.329 3.172 3.451 . 0 0 "[ . 1 . 2]" 1
871 1 39 CYS HB3 1 55 HIS HD2 . . 4.340 4.139 4.046 4.245 . 0 0 "[ . 1 . 2]" 1
872 1 39 CYS HB3 1 56 ILE MD . . 5.390 5.061 4.780 5.346 . 0 0 "[ . 1 . 2]" 1
873 1 40 ASP H 1 40 ASP HB2 . . 3.690 2.330 2.187 2.443 . 0 0 "[ . 1 . 2]" 1
874 1 40 ASP H 1 40 ASP QB . . 3.120 2.237 2.165 2.292 . 0 0 "[ . 1 . 2]" 1
875 1 40 ASP H 1 40 ASP HB3 . . 3.690 3.064 2.736 3.483 . 0 0 "[ . 1 . 2]" 1
876 1 40 ASP H 1 41 TYR H . . 3.480 2.760 2.631 2.818 . 0 0 "[ . 1 . 2]" 1
877 1 40 ASP H 1 41 TYR HB2 . . 4.950 4.584 4.499 4.634 . 0 0 "[ . 1 . 2]" 1
878 1 40 ASP H 1 41 TYR QD . . 4.340 2.495 2.416 2.691 . 0 0 "[ . 1 . 2]" 1
879 1 40 ASP H 1 41 TYR QE . . 4.760 3.653 3.466 3.905 . 0 0 "[ . 1 . 2]" 1
880 1 40 ASP H 1 42 CYS H . . 4.460 4.362 4.248 4.415 . 0 0 "[ . 1 . 2]" 1
881 1 40 ASP H 1 52 LEU MD1 . . 4.000 3.521 3.288 3.775 . 0 0 "[ . 1 . 2]" 1
882 1 40 ASP H 1 56 ILE MD . . 4.390 2.933 2.652 3.308 . 0 0 "[ . 1 . 2]" 1
883 1 40 ASP QB 1 41 TYR QE . . 3.780 2.708 2.549 2.893 . 0 0 "[ . 1 . 2]" 1
884 1 40 ASP HB2 1 41 TYR H . . 4.420 4.242 3.998 4.419 . 0 0 "[ . 1 . 2]" 1
885 1 40 ASP HB2 1 41 TYR QD . . 4.480 3.518 2.967 4.017 . 0 0 "[ . 1 . 2]" 1
886 1 40 ASP HB2 1 41 TYR QE . . 4.380 3.489 2.769 4.132 . 0 0 "[ . 1 . 2]" 1
887 1 40 ASP HB3 1 41 TYR H . . 4.420 4.048 3.826 4.263 . 0 0 "[ . 1 . 2]" 1
888 1 40 ASP HB3 1 41 TYR QD . . 4.480 3.146 2.706 3.771 . 0 0 "[ . 1 . 2]" 1
889 1 40 ASP HB3 1 41 TYR QE . . 4.380 3.103 2.584 3.813 . 0 0 "[ . 1 . 2]" 1
890 1 41 TYR H 1 41 TYR HB2 . . 3.370 2.681 2.602 2.725 . 0 0 "[ . 1 . 2]" 1
891 1 41 TYR H 1 41 TYR HB3 . . 3.770 3.801 3.757 3.824 0.054 7 0 "[ . 1 . 2]" 1
892 1 41 TYR H 1 41 TYR QD . . 3.530 2.389 2.321 2.469 . 0 0 "[ . 1 . 2]" 1
893 1 41 TYR H 1 41 TYR QE . . 4.690 4.668 4.618 4.702 0.012 16 0 "[ . 1 . 2]" 1
894 1 41 TYR H 1 42 CYS H . . 2.860 1.849 1.804 1.910 . 0 0 "[ . 1 . 2]" 1
895 1 41 TYR H 1 42 CYS HA . . 4.730 4.486 4.448 4.551 . 0 0 "[ . 1 . 2]" 1
896 1 41 TYR H 1 52 LEU MD1 . . 5.020 4.973 4.792 5.060 0.040 13 0 "[ . 1 . 2]" 1
897 1 41 TYR H 1 56 ILE HG12 . . 5.270 4.611 4.260 4.809 . 0 0 "[ . 1 . 2]" 1
898 1 41 TYR HA 1 41 TYR QD . . 3.260 3.182 3.158 3.200 . 0 0 "[ . 1 . 2]" 1
899 1 41 TYR HA 1 41 TYR QE . . 4.980 4.751 4.718 4.776 . 0 0 "[ . 1 . 2]" 1
900 1 41 TYR HA 1 42 CYS H . . 3.560 3.507 3.484 3.529 . 0 0 "[ . 1 . 2]" 1
901 1 41 TYR HB2 1 42 CYS H . . 3.730 2.774 2.654 2.889 . 0 0 "[ . 1 . 2]" 1
902 1 41 TYR HB2 1 56 ILE MG . . 4.300 4.175 3.868 4.303 0.003 15 0 "[ . 1 . 2]" 1
903 1 41 TYR HB2 1 60 HIS H . . 5.500 5.410 5.188 5.609 0.109 19 0 "[ . 1 . 2]" 1
904 1 41 TYR HB2 1 60 HIS HB2 . . 4.760 4.095 3.730 4.310 . 0 0 "[ . 1 . 2]" 1
905 1 41 TYR HB2 1 60 HIS HB3 . . 5.010 4.231 3.904 4.542 . 0 0 "[ . 1 . 2]" 1
906 1 41 TYR HB2 1 60 HIS HD2 . . 4.560 2.994 2.807 3.137 . 0 0 "[ . 1 . 2]" 1
907 1 41 TYR HB2 1 60 HIS HE1 . . 4.810 3.456 3.183 3.712 . 0 0 "[ . 1 . 2]" 1
908 1 41 TYR HB3 1 42 CYS H . . 3.830 3.805 3.703 3.875 0.045 19 0 "[ . 1 . 2]" 1
909 1 41 TYR HB3 1 60 HIS HD2 . . 4.930 4.082 3.933 4.257 . 0 0 "[ . 1 . 2]" 1
910 1 41 TYR HB3 1 60 HIS HE1 . . 5.090 3.180 2.650 3.538 . 0 0 "[ . 1 . 2]" 1
911 1 41 TYR QD 1 42 CYS H . . 4.080 3.877 3.804 3.978 . 0 0 "[ . 1 . 2]" 1
912 1 41 TYR QD 1 56 ILE HA . . 5.370 5.039 4.797 5.181 . 0 0 "[ . 1 . 2]" 1
913 1 41 TYR QD 1 56 ILE MD . . 4.140 2.865 2.439 3.233 . 0 0 "[ . 1 . 2]" 1
914 1 41 TYR QD 1 56 ILE HG12 . . 3.860 2.944 2.548 3.123 . 0 0 "[ . 1 . 2]" 1
915 1 41 TYR QD 1 56 ILE HG13 . . 4.800 4.321 3.852 4.540 . 0 0 "[ . 1 . 2]" 1
916 1 41 TYR QD 1 56 ILE MG . . 3.820 3.369 3.014 3.510 . 0 0 "[ . 1 . 2]" 1
917 1 41 TYR QD 1 60 HIS HB2 . . 4.480 3.404 3.012 3.927 . 0 0 "[ . 1 . 2]" 1
918 1 41 TYR QD 1 60 HIS HB3 . . 4.390 2.506 2.025 2.934 . 0 0 "[ . 1 . 2]" 1
919 1 41 TYR QD 1 60 HIS HD2 . . 4.140 4.023 3.793 4.144 0.004 2 0 "[ . 1 . 2]" 1
920 1 41 TYR QD 1 63 ILE MD . . 4.490 2.664 2.173 3.288 . 0 0 "[ . 1 . 2]" 1
921 1 41 TYR QD 1 63 ILE MG . . 4.890 3.303 2.035 4.117 . 0 0 "[ . 1 . 2]" 1
922 1 41 TYR QE 1 56 ILE HA . . 5.500 5.393 5.147 5.505 0.005 12 0 "[ . 1 . 2]" 1
923 1 41 TYR QE 1 56 ILE MD . . 3.570 2.280 1.923 2.623 . 0 0 "[ . 1 . 2]" 1
924 1 41 TYR QE 1 56 ILE HG12 . . 3.710 3.435 3.185 3.618 . 0 0 "[ . 1 . 2]" 1
925 1 41 TYR QE 1 56 ILE HG13 . . 4.920 4.708 4.428 4.898 . 0 0 "[ . 1 . 2]" 1
926 1 41 TYR QE 1 56 ILE MG . . 3.440 2.840 2.497 2.969 . 0 0 "[ . 1 . 2]" 1
927 1 41 TYR QE 1 60 HIS HB3 . . 4.690 3.434 2.817 3.874 . 0 0 "[ . 1 . 2]" 1
928 1 41 TYR QE 1 63 ILE MD . . 4.450 3.307 2.120 4.461 0.011 4 0 "[ . 1 . 2]" 1
929 1 41 TYR QE 1 63 ILE QG . . 5.130 4.331 2.875 5.087 . 0 0 "[ . 1 . 2]" 1
930 1 41 TYR QE 1 63 ILE MG . . 4.440 2.265 1.941 2.806 . 0 0 "[ . 1 . 2]" 1
931 1 42 CYS H 1 42 CYS HB3 . . 3.950 3.247 3.200 3.292 . 0 0 "[ . 1 . 2]" 1
932 1 42 CYS H 1 43 SER H . . 5.060 4.369 4.362 4.384 . 0 0 "[ . 1 . 2]" 1
933 1 42 CYS H 1 44 PHE H . . 4.690 3.582 3.535 3.623 . 0 0 "[ . 1 . 2]" 1
934 1 42 CYS H 1 44 PHE HB3 . . 4.860 4.162 4.091 4.212 . 0 0 "[ . 1 . 2]" 1
935 1 42 CYS HA 1 44 PHE H . . 4.580 4.209 4.152 4.239 . 0 0 "[ . 1 . 2]" 1
936 1 42 CYS HA 1 60 HIS HE1 . . 4.630 4.445 4.068 4.627 . 0 0 "[ . 1 . 2]" 1
937 1 42 CYS HB2 1 43 SER H . . 4.290 2.038 1.981 2.092 . 0 0 "[ . 1 . 2]" 1
938 1 42 CYS HB2 1 43 SER QB . . 4.770 4.073 3.926 4.527 . 0 0 "[ . 1 . 2]" 1
939 1 42 CYS HB2 1 44 PHE H . . 3.740 3.655 3.561 3.713 . 0 0 "[ . 1 . 2]" 1
940 1 42 CYS HB2 1 44 PHE HA . . 5.500 5.473 5.395 5.522 0.022 19 0 "[ . 1 . 2]" 1
941 1 42 CYS HB2 1 44 PHE HB2 . . 4.740 4.434 4.347 4.498 . 0 0 "[ . 1 . 2]" 1
942 1 42 CYS HB3 1 43 SER H . . 4.470 3.570 3.520 3.610 . 0 0 "[ . 1 . 2]" 1
943 1 42 CYS HB3 1 44 PHE H . . 4.540 4.475 4.293 4.561 0.021 16 0 "[ . 1 . 2]" 1
944 1 42 CYS HB3 1 60 HIS HE1 . . 3.600 2.299 2.062 2.484 . 0 0 "[ . 1 . 2]" 1
945 1 43 SER H 1 44 PHE H . . 4.540 3.068 2.939 3.152 . 0 0 "[ . 1 . 2]" 1
946 1 43 SER HA 1 45 THR MG . . 5.340 4.401 4.310 4.471 . 0 0 "[ . 1 . 2]" 1
947 1 43 SER QB 1 44 PHE H . . 4.410 3.873 3.779 4.055 . 0 0 "[ . 1 . 2]" 1
948 1 43 SER HB2 1 44 PHE H . . 5.100 4.403 4.073 4.622 . 0 0 "[ . 1 . 2]" 1
949 1 43 SER HB3 1 44 PHE H . . 5.100 4.341 4.119 4.640 . 0 0 "[ . 1 . 2]" 1
950 1 44 PHE H 1 44 PHE HB2 . . 3.150 2.878 2.814 2.957 . 0 0 "[ . 1 . 2]" 1
951 1 44 PHE H 1 44 PHE HB3 . . 3.160 2.356 2.316 2.385 . 0 0 "[ . 1 . 2]" 1
952 1 44 PHE H 1 44 PHE QD . . 4.200 4.087 4.021 4.138 . 0 0 "[ . 1 . 2]" 1
953 1 44 PHE H 1 45 THR H . . 4.670 4.594 4.584 4.610 . 0 0 "[ . 1 . 2]" 1
954 1 44 PHE H 1 45 THR MG . . 4.800 4.384 4.313 4.509 . 0 0 "[ . 1 . 2]" 1
955 1 44 PHE H 1 55 HIS HE1 . . 5.500 5.427 5.259 5.507 0.007 9 0 "[ . 1 . 2]" 1
956 1 44 PHE HA 1 44 PHE QD . . 3.580 3.008 2.872 3.097 . 0 0 "[ . 1 . 2]" 1
957 1 44 PHE HA 1 45 THR H . . 2.610 2.327 2.283 2.359 . 0 0 "[ . 1 . 2]" 1
958 1 44 PHE HA 1 45 THR MG . . 4.160 3.782 3.728 3.895 . 0 0 "[ . 1 . 2]" 1
959 1 44 PHE HA 1 55 HIS HE1 . . 5.410 5.311 5.020 5.430 0.020 19 0 "[ . 1 . 2]" 1
960 1 44 PHE HB2 1 45 THR H . . 3.830 3.769 3.703 3.841 0.011 4 0 "[ . 1 . 2]" 1
961 1 44 PHE HB2 1 45 THR MG . . 5.500 5.441 5.409 5.511 0.011 19 0 "[ . 1 . 2]" 1
962 1 44 PHE HB2 1 52 LEU MD1 . . 5.500 5.304 4.915 5.507 0.007 20 0 "[ . 1 . 2]" 1
963 1 44 PHE HB2 1 55 HIS HD2 . . 5.500 5.015 4.775 5.371 . 0 0 "[ . 1 . 2]" 1
964 1 44 PHE HB2 1 55 HIS HE1 . . 3.900 3.015 2.764 3.131 . 0 0 "[ . 1 . 2]" 1
965 1 44 PHE HB3 1 45 THR H . . 4.070 3.864 3.796 3.964 . 0 0 "[ . 1 . 2]" 1
966 1 44 PHE HB3 1 52 LEU MD1 . . 4.570 4.092 3.724 4.311 . 0 0 "[ . 1 . 2]" 1
967 1 44 PHE HB3 1 55 HIS HD2 . . 4.710 3.993 3.807 4.246 . 0 0 "[ . 1 . 2]" 1
968 1 44 PHE HB3 1 55 HIS HE1 . . 4.180 3.800 3.564 4.000 . 0 0 "[ . 1 . 2]" 1
969 1 44 PHE QD 1 45 THR H . . 3.590 3.020 2.928 3.136 . 0 0 "[ . 1 . 2]" 1
970 1 44 PHE QD 1 45 THR HA . . 4.580 3.299 3.167 3.523 . 0 0 "[ . 1 . 2]" 1
971 1 44 PHE QD 1 45 THR MG . . 4.890 4.440 4.326 4.588 . 0 0 "[ . 1 . 2]" 1
972 1 44 PHE QD 1 46 CYS H . . 4.890 4.637 4.522 4.819 . 0 0 "[ . 1 . 2]" 1
973 1 44 PHE QD 1 52 LEU HA . . 4.480 4.277 4.060 4.475 . 0 0 "[ . 1 . 2]" 1
974 1 44 PHE QD 1 52 LEU MD1 . . 3.390 2.461 2.067 2.677 . 0 0 "[ . 1 . 2]" 1
975 1 44 PHE QD 1 52 LEU MD2 . . 5.070 4.488 4.161 4.776 . 0 0 "[ . 1 . 2]" 1
976 1 44 PHE QD 1 55 HIS HB2 . . 4.940 4.402 4.261 4.543 . 0 0 "[ . 1 . 2]" 1
977 1 44 PHE QD 1 55 HIS HB3 . . 4.940 4.239 4.040 4.466 . 0 0 "[ . 1 . 2]" 1
978 1 44 PHE QD 1 55 HIS HE1 . . 4.310 3.438 3.017 3.714 . 0 0 "[ . 1 . 2]" 1
979 1 44 PHE QE 1 46 CYS HB2 . . 3.750 2.103 1.993 2.412 . 0 0 "[ . 1 . 2]" 1
980 1 44 PHE QE 1 46 CYS HB3 . . 4.130 3.353 2.990 3.627 . 0 0 "[ . 1 . 2]" 1
981 1 44 PHE QE 1 51 HIS QB . . 4.730 4.671 4.413 4.733 0.003 10 0 "[ . 1 . 2]" 1
982 1 44 PHE QE 1 52 LEU H . . 4.810 4.593 4.275 4.821 0.011 18 0 "[ . 1 . 2]" 1
983 1 44 PHE QE 1 52 LEU HA . . 3.690 2.551 2.310 2.771 . 0 0 "[ . 1 . 2]" 1
984 1 44 PHE QE 1 52 LEU MD1 . . 4.000 2.487 2.111 2.758 . 0 0 "[ . 1 . 2]" 1
985 1 44 PHE QE 1 55 HIS H . . 5.250 5.023 4.808 5.225 . 0 0 "[ . 1 . 2]" 1
986 1 44 PHE QE 1 55 HIS HB2 . . 4.070 3.438 3.140 3.670 . 0 0 "[ . 1 . 2]" 1
987 1 44 PHE QE 1 55 HIS HB3 . . 5.070 3.506 3.233 3.763 . 0 0 "[ . 1 . 2]" 1
988 1 44 PHE HZ 1 46 CYS HB2 . . 3.950 2.686 2.365 2.923 . 0 0 "[ . 1 . 2]" 1
989 1 44 PHE HZ 1 46 CYS HB3 . . 4.510 4.273 3.844 4.509 . 0 0 "[ . 1 . 2]" 1
990 1 44 PHE HZ 1 51 HIS QB . . 4.680 4.472 4.123 4.658 . 0 0 "[ . 1 . 2]" 1
991 1 44 PHE HZ 1 52 LEU HA . . 4.690 4.052 3.772 4.320 . 0 0 "[ . 1 . 2]" 1
992 1 44 PHE HZ 1 55 HIS HB2 . . 4.580 3.394 3.164 3.597 . 0 0 "[ . 1 . 2]" 1
993 1 44 PHE HZ 1 55 HIS HB3 . . 4.950 4.399 4.059 4.580 . 0 0 "[ . 1 . 2]" 1
994 1 45 THR H 1 45 THR HB . . 3.870 3.864 3.826 3.883 0.013 5 0 "[ . 1 . 2]" 1
995 1 45 THR H 1 45 THR MG . . 3.530 3.320 3.269 3.370 . 0 0 "[ . 1 . 2]" 1
996 1 45 THR H 1 46 CYS H . . 4.440 4.372 4.341 4.398 . 0 0 "[ . 1 . 2]" 1
997 1 45 THR H 1 46 CYS HB2 . . 4.930 4.670 4.591 4.806 . 0 0 "[ . 1 . 2]" 1
998 1 45 THR HA 1 45 THR MG . . 3.160 2.279 2.239 2.317 . 0 0 "[ . 1 . 2]" 1
999 1 45 THR HA 1 46 CYS H . . 2.890 2.304 2.254 2.335 . 0 0 "[ . 1 . 2]" 1
1000 1 45 THR HB 1 46 CYS H . . 3.110 2.653 2.561 2.819 . 0 0 "[ . 1 . 2]" 1
1001 1 45 THR MG 1 46 CYS H . . 3.510 3.517 3.469 3.553 0.043 16 0 "[ . 1 . 2]" 1
1002 1 46 CYS H 1 46 CYS HB2 . . 4.150 3.123 2.976 3.332 . 0 0 "[ . 1 . 2]" 1
1003 1 46 CYS HB2 1 48 SER H . . 5.270 4.369 4.166 4.653 . 0 0 "[ . 1 . 2]" 1
1004 1 46 CYS HB2 1 51 HIS QB . . 4.330 3.989 3.765 4.247 . 0 0 "[ . 1 . 2]" 1
1005 1 46 CYS HB2 1 52 LEU H . . 5.420 4.299 3.951 4.719 . 0 0 "[ . 1 . 2]" 1
1006 1 46 CYS HB2 1 52 LEU HA . . 4.950 3.507 3.097 4.275 . 0 0 "[ . 1 . 2]" 1
1007 1 46 CYS HB3 1 47 LEU QD . . 5.440 4.921 4.342 5.481 0.041 7 0 "[ . 1 . 2]" 1
1008 1 46 CYS HB3 1 48 SER H . . 4.910 2.852 2.451 3.298 . 0 0 "[ . 1 . 2]" 1
1009 1 46 CYS HB3 1 52 LEU HB2 . . 4.400 2.800 2.307 3.286 . 0 0 "[ . 1 . 2]" 1
1010 1 47 LEU H 1 47 LEU HG . . 5.090 3.981 2.229 4.732 . 0 0 "[ . 1 . 2]" 1
1011 1 47 LEU H 1 48 SER H . . 4.660 2.623 2.075 3.015 . 0 0 "[ . 1 . 2]" 1
1012 1 47 LEU QB 1 47 LEU QD . . 2.700 1.986 1.901 2.074 . 0 0 "[ . 1 . 2]" 1
1013 1 47 LEU QB 1 48 SER H . . 3.810 3.481 2.761 3.819 0.009 18 0 "[ . 1 . 2]" 1
1014 1 47 LEU HB2 1 48 SER H . . 4.430 3.877 2.834 4.445 0.015 14 0 "[ . 1 . 2]" 1
1015 1 47 LEU HB3 1 48 SER H . . 4.430 4.057 3.013 4.402 . 0 0 "[ . 1 . 2]" 1
1016 1 47 LEU QD 1 48 SER H . . 4.740 4.005 3.726 4.370 . 0 0 "[ . 1 . 2]" 1
1017 1 48 SER H 1 48 SER HB2 . . 4.010 3.134 2.385 3.992 . 0 0 "[ . 1 . 2]" 1
1018 1 48 SER H 1 48 SER HB3 . . 4.010 3.422 2.451 3.936 . 0 0 "[ . 1 . 2]" 1
1019 1 48 SER H 1 49 LYS H . . 5.470 3.918 3.615 4.318 . 0 0 "[ . 1 . 2]" 1
1020 1 48 SER H 1 51 HIS QB . . 3.910 3.819 3.424 3.935 0.025 8 0 "[ . 1 . 2]" 1
1021 1 48 SER HA 1 49 LYS HA . . 4.700 4.432 4.332 4.547 . 0 0 "[ . 1 . 2]" 1
1022 1 48 SER HA 1 49 LYS HB2 . . 5.500 5.349 4.285 5.669 0.169 16 0 "[ . 1 . 2]" 1
1023 1 48 SER HA 1 49 LYS QB . . 4.660 4.586 4.040 4.727 0.067 6 0 "[ . 1 . 2]" 1
1024 1 48 SER HA 1 49 LYS HB3 . . 5.500 5.089 4.625 5.683 0.183 20 0 "[ . 1 . 2]" 1
1025 1 48 SER QB 1 49 LYS H . . 4.070 3.641 2.867 3.998 . 0 0 "[ . 1 . 2]" 1
1026 1 48 SER QB 1 49 LYS HA . . 5.340 4.910 4.476 5.216 . 0 0 "[ . 1 . 2]" 1
1027 1 48 SER QB 1 51 HIS H . . 3.890 2.681 2.352 3.231 . 0 0 "[ . 1 . 2]" 1
1028 1 48 SER QB 1 51 HIS QB . . 3.570 2.516 1.995 3.513 . 0 0 "[ . 1 . 2]" 1
1029 1 48 SER HB2 1 49 LYS H . . 4.840 4.325 3.757 4.647 . 0 0 "[ . 1 . 2]" 1
1030 1 48 SER HB2 1 51 HIS H . . 4.590 3.612 2.725 4.397 . 0 0 "[ . 1 . 2]" 1
1031 1 48 SER HB2 1 51 HIS QB . . 4.210 3.131 2.046 4.075 . 0 0 "[ . 1 . 2]" 1
1032 1 48 SER HB3 1 49 LYS H . . 4.840 4.018 2.932 4.581 . 0 0 "[ . 1 . 2]" 1
1033 1 48 SER HB3 1 51 HIS H . . 4.590 3.042 2.394 4.442 . 0 0 "[ . 1 . 2]" 1
1034 1 48 SER HB3 1 51 HIS QB . . 4.210 2.942 2.006 4.215 0.005 2 0 "[ . 1 . 2]" 1
1035 1 49 LYS H 1 49 LYS QG . . 4.060 2.114 1.801 3.955 . 0 0 "[ . 1 . 2]" 1
1036 1 49 LYS HA 1 49 LYS QD . . 4.580 3.956 2.655 4.421 . 0 0 "[ . 1 . 2]" 1
1037 1 49 LYS HA 1 49 LYS QG . . 3.490 3.074 2.156 3.431 . 0 0 "[ . 1 . 2]" 1
1038 1 49 LYS HA 1 50 GLY HA3 . . 5.500 5.341 5.305 5.362 . 0 0 "[ . 1 . 2]" 1
1039 1 49 LYS HA 1 52 LEU H . . 3.880 3.542 3.286 3.762 . 0 0 "[ . 1 . 2]" 1
1040 1 49 LYS HA 1 52 LEU HA . . 5.500 5.300 4.956 5.533 0.033 18 0 "[ . 1 . 2]" 1
1041 1 49 LYS HA 1 52 LEU HB2 . . 3.770 3.435 3.029 3.723 . 0 0 "[ . 1 . 2]" 1
1042 1 49 LYS HA 1 52 LEU HB3 . . 3.490 2.654 2.296 2.950 . 0 0 "[ . 1 . 2]" 1
1043 1 49 LYS HA 1 52 LEU MD2 . . 4.030 3.016 2.736 3.389 . 0 0 "[ . 1 . 2]" 1
1044 1 49 LYS HA 1 52 LEU HG . . 5.130 4.807 4.423 5.128 . 0 0 "[ . 1 . 2]" 1
1045 1 49 LYS HA 1 53 LYS H . . 4.810 4.483 4.130 4.672 . 0 0 "[ . 1 . 2]" 1
1046 1 49 LYS QB 1 49 LYS QD . . 3.180 2.104 1.992 2.262 . 0 0 "[ . 1 . 2]" 1
1047 1 49 LYS QB 1 50 GLY HA2 . . 4.550 3.937 3.645 4.144 . 0 0 "[ . 1 . 2]" 1
1048 1 49 LYS QB 1 50 GLY HA3 . . 4.830 4.556 4.015 4.908 0.078 3 0 "[ . 1 . 2]" 1
1049 1 49 LYS QE 1 49 LYS QG . . 3.220 2.162 2.067 2.300 . 0 0 "[ . 1 . 2]" 1
1050 1 49 LYS QG 1 50 GLY HA2 . . 5.480 4.355 3.487 5.612 0.132 20 0 "[ . 1 . 2]" 1
1051 1 49 LYS QG 1 50 GLY HA3 . . 5.500 4.452 3.595 5.661 0.161 20 0 "[ . 1 . 2]" 1
1052 1 50 GLY HA2 1 53 LYS H . . 4.040 3.821 3.648 3.966 . 0 0 "[ . 1 . 2]" 1
1053 1 50 GLY HA2 1 53 LYS QB . . 3.590 3.216 3.019 3.453 . 0 0 "[ . 1 . 2]" 1
1054 1 50 GLY HA2 1 53 LYS QD . . 4.810 3.846 2.119 4.536 . 0 0 "[ . 1 . 2]" 1
1055 1 50 GLY HA2 1 54 VAL MG2 . . 5.500 4.818 4.437 5.227 . 0 0 "[ . 1 . 2]" 1
1056 1 50 GLY HA3 1 52 LEU H . . 5.170 4.796 4.625 5.002 . 0 0 "[ . 1 . 2]" 1
1057 1 50 GLY HA3 1 53 LYS H . . 5.020 4.879 4.717 5.015 . 0 0 "[ . 1 . 2]" 1
1058 1 50 GLY HA3 1 53 LYS QB . . 4.750 4.520 4.318 4.742 . 0 0 "[ . 1 . 2]" 1
1059 1 50 GLY HA3 1 53 LYS QD . . 5.500 5.084 3.360 5.517 0.017 16 0 "[ . 1 . 2]" 1
1060 1 50 GLY HA3 1 54 VAL MG2 . . 5.500 4.908 4.431 5.315 . 0 0 "[ . 1 . 2]" 1
1061 1 51 HIS H 1 51 HIS QB . . 3.120 2.193 2.139 2.287 . 0 0 "[ . 1 . 2]" 1
1062 1 51 HIS H 1 51 HIS HD2 . . 4.980 4.501 3.758 5.008 0.028 9 0 "[ . 1 . 2]" 1
1063 1 51 HIS H 1 52 LEU HB3 . . 4.910 4.696 4.518 4.866 . 0 0 "[ . 1 . 2]" 1
1064 1 51 HIS H 1 53 LYS H . . 4.390 4.303 4.152 4.402 0.012 3 0 "[ . 1 . 2]" 1
1065 1 51 HIS H 1 54 VAL MG2 . . 5.180 4.708 4.364 5.001 . 0 0 "[ . 1 . 2]" 1
1066 1 51 HIS HA 1 51 HIS HD2 . . 4.010 2.290 2.101 3.333 . 0 0 "[ . 1 . 2]" 1
1067 1 51 HIS HA 1 53 LYS H . . 5.420 4.228 3.873 4.370 . 0 0 "[ . 1 . 2]" 1
1068 1 51 HIS HA 1 54 VAL H . . 3.750 3.348 3.217 3.435 . 0 0 "[ . 1 . 2]" 1
1069 1 51 HIS HA 1 54 VAL HA . . 5.500 5.458 5.356 5.514 0.014 19 0 "[ . 1 . 2]" 1
1070 1 51 HIS HA 1 54 VAL HB . . 3.480 3.099 2.826 3.342 . 0 0 "[ . 1 . 2]" 1
1071 1 51 HIS HA 1 54 VAL MG1 . . 4.510 4.399 4.186 4.528 0.018 9 0 "[ . 1 . 2]" 1
1072 1 51 HIS HA 1 54 VAL MG2 . . 3.610 2.602 2.345 2.839 . 0 0 "[ . 1 . 2]" 1
1073 1 51 HIS HA 1 55 HIS H . . 4.660 4.455 4.298 4.558 . 0 0 "[ . 1 . 2]" 1
1074 1 51 HIS QB 1 52 LEU H . . 3.360 2.479 2.311 2.637 . 0 0 "[ . 1 . 2]" 1
1075 1 51 HIS QB 1 52 LEU HB2 . . 5.120 4.359 4.240 4.447 . 0 0 "[ . 1 . 2]" 1
1076 1 51 HIS QB 1 52 LEU HB3 . . 5.160 4.639 4.508 4.775 . 0 0 "[ . 1 . 2]" 1
1077 1 51 HIS QB 1 53 LYS H . . 4.920 4.667 4.518 4.812 . 0 0 "[ . 1 . 2]" 1
1078 1 51 HIS QB 1 54 VAL H . . 5.040 4.845 4.611 4.989 . 0 0 "[ . 1 . 2]" 1
1079 1 51 HIS QB 1 54 VAL HB . . 4.780 4.526 4.247 4.711 . 0 0 "[ . 1 . 2]" 1
1080 1 51 HIS QB 1 54 VAL MG1 . . 5.500 5.383 5.181 5.512 0.012 5 0 "[ . 1 . 2]" 1
1081 1 51 HIS QB 1 54 VAL MG2 . . 4.680 4.430 4.230 4.620 . 0 0 "[ . 1 . 2]" 1
1082 1 51 HIS HD2 1 52 LEU H . . 5.500 5.090 3.552 5.484 . 0 0 "[ . 1 . 2]" 1
1083 1 51 HIS HD2 1 54 VAL HB . . 4.910 3.083 2.001 4.168 . 0 0 "[ . 1 . 2]" 1
1084 1 51 HIS HD2 1 54 VAL MG1 . . 4.680 3.795 3.033 4.529 . 0 0 "[ . 1 . 2]" 1
1085 1 51 HIS HD2 1 54 VAL MG2 . . 4.600 3.118 2.673 4.607 0.007 16 0 "[ . 1 . 2]" 1
1086 1 52 LEU H 1 52 LEU HB2 . . 3.250 2.628 2.555 2.703 . 0 0 "[ . 1 . 2]" 1
1087 1 52 LEU H 1 52 LEU HB3 . . 3.190 2.412 2.321 2.485 . 0 0 "[ . 1 . 2]" 1
1088 1 52 LEU H 1 52 LEU MD1 . . 4.260 4.142 4.072 4.208 . 0 0 "[ . 1 . 2]" 1
1089 1 52 LEU H 1 52 LEU MD2 . . 4.330 4.198 4.142 4.253 . 0 0 "[ . 1 . 2]" 1
1090 1 52 LEU H 1 52 LEU HG . . 4.710 4.421 4.347 4.480 . 0 0 "[ . 1 . 2]" 1
1091 1 52 LEU H 1 53 LYS H . . 3.240 2.912 2.798 3.004 . 0 0 "[ . 1 . 2]" 1
1092 1 52 LEU H 1 53 LYS HA . . 5.500 5.465 5.374 5.534 0.034 16 0 "[ . 1 . 2]" 1
1093 1 52 LEU H 1 53 LYS QB . . 4.630 4.594 4.482 4.653 0.023 16 0 "[ . 1 . 2]" 1
1094 1 52 LEU H 1 54 VAL H . . 4.860 4.431 4.179 4.563 . 0 0 "[ . 1 . 2]" 1
1095 1 52 LEU HA 1 52 LEU MD1 . . 3.140 2.159 1.992 2.340 . 0 0 "[ . 1 . 2]" 1
1096 1 52 LEU HA 1 52 LEU HG . . 4.100 3.341 3.210 3.419 . 0 0 "[ . 1 . 2]" 1
1097 1 52 LEU HA 1 53 LYS HA . . 4.950 4.829 4.788 4.860 . 0 0 "[ . 1 . 2]" 1
1098 1 52 LEU HA 1 54 VAL H . . 5.130 4.480 4.193 4.677 . 0 0 "[ . 1 . 2]" 1
1099 1 52 LEU HA 1 55 HIS H . . 3.780 3.478 3.341 3.660 . 0 0 "[ . 1 . 2]" 1
1100 1 52 LEU HA 1 55 HIS HA . . 5.500 5.333 5.114 5.510 0.010 18 0 "[ . 1 . 2]" 1
1101 1 52 LEU HA 1 55 HIS HB2 . . 3.930 3.563 3.372 3.767 . 0 0 "[ . 1 . 2]" 1
1102 1 52 LEU HA 1 55 HIS HB3 . . 3.580 2.743 2.473 2.952 . 0 0 "[ . 1 . 2]" 1
1103 1 52 LEU HA 1 55 HIS HD2 . . 5.060 4.704 4.362 4.999 . 0 0 "[ . 1 . 2]" 1
1104 1 52 LEU HA 1 56 ILE H . . 4.960 4.755 4.512 4.896 . 0 0 "[ . 1 . 2]" 1
1105 1 52 LEU HA 1 56 ILE MD . . 5.100 4.777 4.345 4.993 . 0 0 "[ . 1 . 2]" 1
1106 1 52 LEU HA 1 56 ILE HG13 . . 5.230 5.018 4.654 5.238 0.008 19 0 "[ . 1 . 2]" 1
1107 1 52 LEU HB2 1 52 LEU MD1 . . 3.190 2.397 2.307 2.468 . 0 0 "[ . 1 . 2]" 1
1108 1 52 LEU HB2 1 52 LEU MD2 . . 3.340 2.402 2.232 2.475 . 0 0 "[ . 1 . 2]" 1
1109 1 52 LEU HB2 1 53 LYS H . . 4.220 3.966 3.895 4.121 . 0 0 "[ . 1 . 2]" 1
1110 1 52 LEU HB3 1 52 LEU MD2 . . 3.310 2.254 2.171 2.441 . 0 0 "[ . 1 . 2]" 1
1111 1 52 LEU HB3 1 53 LYS H . . 3.410 2.621 2.525 2.875 . 0 0 "[ . 1 . 2]" 1
1112 1 52 LEU MD1 1 53 LYS H . . 4.530 4.233 4.098 4.393 . 0 0 "[ . 1 . 2]" 1
1113 1 52 LEU MD1 1 55 HIS HA . . 5.500 5.429 5.309 5.514 0.014 18 0 "[ . 1 . 2]" 1
1114 1 52 LEU MD1 1 55 HIS HB2 . . 4.250 3.962 3.851 4.091 . 0 0 "[ . 1 . 2]" 1
1115 1 52 LEU MD1 1 55 HIS HB3 . . 3.840 2.769 2.648 2.852 . 0 0 "[ . 1 . 2]" 1
1116 1 52 LEU MD1 1 55 HIS HD2 . . 3.320 2.969 2.691 3.267 . 0 0 "[ . 1 . 2]" 1
1117 1 52 LEU MD1 1 56 ILE H . . 4.350 4.150 3.851 4.308 . 0 0 "[ . 1 . 2]" 1
1118 1 52 LEU MD1 1 56 ILE MD . . 2.950 2.697 2.251 2.957 0.007 8 0 "[ . 1 . 2]" 1
1119 1 52 LEU MD1 1 56 ILE HG13 . . 3.560 3.239 2.871 3.444 . 0 0 "[ . 1 . 2]" 1
1120 1 52 LEU MD2 1 53 LYS H . . 4.480 4.182 4.051 4.344 . 0 0 "[ . 1 . 2]" 1
1121 1 52 LEU MD2 1 56 ILE MD . . 3.930 3.554 3.259 3.789 . 0 0 "[ . 1 . 2]" 1
1122 1 52 LEU MD2 1 56 ILE HG13 . . 5.500 5.193 5.000 5.409 . 0 0 "[ . 1 . 2]" 1
1123 1 52 LEU HG 1 53 LYS H . . 4.270 3.385 3.255 3.570 . 0 0 "[ . 1 . 2]" 1
1124 1 52 LEU HG 1 53 LYS HA . . 5.080 3.355 3.251 3.460 . 0 0 "[ . 1 . 2]" 1
1125 1 52 LEU HG 1 55 HIS HB3 . . 5.500 4.525 4.191 4.741 . 0 0 "[ . 1 . 2]" 1
1126 1 52 LEU HG 1 56 ILE H . . 5.390 4.965 4.686 5.160 . 0 0 "[ . 1 . 2]" 1
1127 1 52 LEU HG 1 56 ILE MD . . 3.190 2.819 2.376 3.060 . 0 0 "[ . 1 . 2]" 1
1128 1 52 LEU HG 1 56 ILE HG13 . . 4.610 4.239 3.954 4.520 . 0 0 "[ . 1 . 2]" 1
1129 1 53 LYS H 1 53 LYS QB . . 2.830 2.177 2.104 2.229 . 0 0 "[ . 1 . 2]" 1
1130 1 53 LYS H 1 53 LYS QD . . 4.570 4.181 3.425 4.545 . 0 0 "[ . 1 . 2]" 1
1131 1 53 LYS H 1 53 LYS QE . . 5.500 4.889 4.299 5.651 0.151 9 0 "[ . 1 . 2]" 1
1132 1 53 LYS H 1 53 LYS HG2 . . 4.360 4.194 3.099 4.378 0.018 5 0 "[ . 1 . 2]" 1
1133 1 53 LYS H 1 53 LYS HG3 . . 4.690 4.518 4.248 4.634 . 0 0 "[ . 1 . 2]" 1
1134 1 53 LYS H 1 54 VAL H . . 3.450 2.789 2.629 2.900 . 0 0 "[ . 1 . 2]" 1
1135 1 53 LYS H 1 54 VAL HB . . 5.280 4.967 4.798 5.089 . 0 0 "[ . 1 . 2]" 1
1136 1 53 LYS H 1 54 VAL MG2 . . 4.900 4.306 4.166 4.587 . 0 0 "[ . 1 . 2]" 1
1137 1 53 LYS H 1 56 ILE MD . . 4.780 4.622 4.409 4.778 . 0 0 "[ . 1 . 2]" 1
1138 1 53 LYS HA 1 53 LYS QE . . 5.500 4.493 3.604 5.465 . 0 0 "[ . 1 . 2]" 1
1139 1 53 LYS HA 1 53 LYS HG2 . . 3.520 3.297 2.884 3.622 0.102 15 0 "[ . 1 . 2]" 1
1140 1 53 LYS HA 1 53 LYS HG3 . . 3.770 3.027 2.622 3.735 . 0 0 "[ . 1 . 2]" 1
1141 1 53 LYS HA 1 56 ILE H . . 4.090 3.679 3.518 3.792 . 0 0 "[ . 1 . 2]" 1
1142 1 53 LYS HA 1 56 ILE HB . . 3.960 3.457 3.236 3.702 . 0 0 "[ . 1 . 2]" 1
1143 1 53 LYS HA 1 56 ILE MD . . 3.590 2.722 2.359 3.043 . 0 0 "[ . 1 . 2]" 1
1144 1 53 LYS HA 1 56 ILE HG12 . . 5.500 5.367 5.123 5.519 0.019 8 0 "[ . 1 . 2]" 1
1145 1 53 LYS HA 1 56 ILE HG13 . . 4.610 4.213 3.967 4.397 . 0 0 "[ . 1 . 2]" 1
1146 1 53 LYS QB 1 53 LYS QD . . 3.260 2.166 2.001 2.274 . 0 0 "[ . 1 . 2]" 1
1147 1 53 LYS QB 1 53 LYS QE . . 3.970 2.714 2.036 3.596 . 0 0 "[ . 1 . 2]" 1
1148 1 53 LYS QB 1 54 VAL H . . 3.200 2.670 2.444 3.363 0.163 13 0 "[ . 1 . 2]" 1
1149 1 53 LYS QD 1 54 VAL H . . 4.910 3.868 1.845 4.803 . 0 0 "[ . 1 . 2]" 1
1150 1 53 LYS QD 1 54 VAL HA . . 5.400 4.483 2.163 5.322 . 0 0 "[ . 1 . 2]" 1
1151 1 53 LYS QE 1 53 LYS HG2 . . 3.860 2.914 2.075 3.463 . 0 0 "[ . 1 . 2]" 1
1152 1 53 LYS QE 1 53 LYS HG3 . . 3.840 2.498 2.056 3.498 . 0 0 "[ . 1 . 2]" 1
1153 1 53 LYS QE 1 54 VAL H . . 5.500 4.686 3.509 5.524 0.024 8 0 "[ . 1 . 2]" 1
1154 1 53 LYS HG2 1 54 VAL H . . 4.570 3.114 1.951 3.400 . 0 0 "[ . 1 . 2]" 1
1155 1 53 LYS HG2 1 54 VAL HA . . 4.280 3.270 2.954 3.418 . 0 0 "[ . 1 . 2]" 1
1156 1 53 LYS HG2 1 54 VAL MG2 . . 4.690 3.232 2.008 3.908 . 0 0 "[ . 1 . 2]" 1
1157 1 53 LYS HG2 1 55 HIS H . . 5.500 5.197 4.526 5.480 . 0 0 "[ . 1 . 2]" 1
1158 1 53 LYS HG2 1 57 GLU H . . 5.210 4.541 3.951 5.263 0.053 15 0 "[ . 1 . 2]" 1
1159 1 53 LYS HG2 1 57 GLU HG2 . . 4.900 3.659 2.620 4.926 0.026 13 0 "[ . 1 . 2]" 1
1160 1 53 LYS HG2 1 57 GLU QG . . 4.250 2.633 2.142 3.867 . 0 0 "[ . 1 . 2]" 1
1161 1 53 LYS HG2 1 57 GLU HG3 . . 4.900 2.713 2.214 4.043 . 0 0 "[ . 1 . 2]" 1
1162 1 53 LYS HG3 1 54 VAL H . . 4.390 4.229 3.411 4.383 . 0 0 "[ . 1 . 2]" 1
1163 1 53 LYS HG3 1 54 VAL HA . . 4.610 4.506 3.487 4.787 0.177 6 0 "[ . 1 . 2]" 1
1164 1 53 LYS HG3 1 57 GLU QG . . 4.520 3.025 2.553 3.654 . 0 0 "[ . 1 . 2]" 1
1165 1 54 VAL H 1 54 VAL HB . . 3.060 2.533 2.431 2.632 . 0 0 "[ . 1 . 2]" 1
1166 1 54 VAL H 1 54 VAL MG1 . . 3.900 3.762 3.746 3.768 . 0 0 "[ . 1 . 2]" 1
1167 1 54 VAL H 1 54 VAL MG2 . . 2.980 2.242 1.888 2.414 . 0 0 "[ . 1 . 2]" 1
1168 1 54 VAL H 1 55 HIS H . . 3.370 2.728 2.581 2.957 . 0 0 "[ . 1 . 2]" 1
1169 1 54 VAL H 1 55 HIS HB3 . . 4.980 4.653 4.499 4.805 . 0 0 "[ . 1 . 2]" 1
1170 1 54 VAL H 1 56 ILE H . . 5.070 4.286 4.150 4.416 . 0 0 "[ . 1 . 2]" 1
1171 1 54 VAL H 1 57 GLU H . . 5.030 4.708 4.614 4.797 . 0 0 "[ . 1 . 2]" 1
1172 1 54 VAL HA 1 54 VAL MG1 . . 3.020 2.359 2.281 2.504 . 0 0 "[ . 1 . 2]" 1
1173 1 54 VAL HA 1 54 VAL MG2 . . 3.140 2.303 2.225 2.456 . 0 0 "[ . 1 . 2]" 1
1174 1 54 VAL HA 1 56 ILE H . . 5.010 4.164 4.022 4.364 . 0 0 "[ . 1 . 2]" 1
1175 1 54 VAL HA 1 57 GLU H . . 3.960 3.112 3.035 3.225 . 0 0 "[ . 1 . 2]" 1
1176 1 54 VAL HA 1 57 GLU HB2 . . 3.030 2.372 2.118 2.468 . 0 0 "[ . 1 . 2]" 1
1177 1 54 VAL HA 1 57 GLU HB3 . . 4.120 4.031 3.776 4.129 0.009 19 0 "[ . 1 . 2]" 1
1178 1 54 VAL HA 1 57 GLU HG2 . . 4.470 3.763 3.324 4.474 0.004 1 0 "[ . 1 . 2]" 1
1179 1 54 VAL HA 1 57 GLU QG . . 3.810 2.782 2.565 2.954 . 0 0 "[ . 1 . 2]" 1
1180 1 54 VAL HA 1 57 GLU HG3 . . 4.470 2.880 2.666 3.090 . 0 0 "[ . 1 . 2]" 1
1181 1 54 VAL HA 1 58 ARG H . . 4.720 4.278 4.173 4.433 . 0 0 "[ . 1 . 2]" 1
1182 1 54 VAL HA 1 58 ARG QD . . 5.500 4.681 4.421 5.232 . 0 0 "[ . 1 . 2]" 1
1183 1 54 VAL HB 1 55 HIS H . . 3.430 2.595 2.271 2.754 . 0 0 "[ . 1 . 2]" 1
1184 1 54 VAL HB 1 55 HIS HA . . 4.680 4.213 4.087 4.386 . 0 0 "[ . 1 . 2]" 1
1185 1 54 VAL HB 1 55 HIS HB2 . . 4.950 4.689 4.535 4.833 . 0 0 "[ . 1 . 2]" 1
1186 1 54 VAL HB 1 55 HIS HB3 . . 5.160 4.819 4.653 4.915 . 0 0 "[ . 1 . 2]" 1
1187 1 54 VAL HB 1 58 ARG QD . . 4.610 3.968 3.706 4.307 . 0 0 "[ . 1 . 2]" 1
1188 1 54 VAL MG1 1 55 HIS H . . 3.820 3.411 3.128 3.529 . 0 0 "[ . 1 . 2]" 1
1189 1 54 VAL MG1 1 55 HIS HA . . 4.080 3.475 3.115 3.613 . 0 0 "[ . 1 . 2]" 1
1190 1 54 VAL MG1 1 55 HIS HB2 . . 4.870 4.751 4.368 4.856 . 0 0 "[ . 1 . 2]" 1
1191 1 54 VAL MG1 1 55 HIS HB3 . . 5.200 5.133 4.854 5.203 0.003 10 0 "[ . 1 . 2]" 1
1192 1 54 VAL MG1 1 57 GLU HB2 . . 4.810 3.258 3.055 3.386 . 0 0 "[ . 1 . 2]" 1
1193 1 54 VAL MG1 1 57 GLU HB3 . . 4.690 4.609 4.427 4.728 0.038 13 0 "[ . 1 . 2]" 1
1194 1 54 VAL MG1 1 58 ARG H . . 4.560 3.947 3.773 4.094 . 0 0 "[ . 1 . 2]" 1
1195 1 54 VAL MG1 1 58 ARG HB2 . . 4.400 3.922 3.645 4.134 . 0 0 "[ . 1 . 2]" 1
1196 1 54 VAL MG1 1 58 ARG HB3 . . 4.430 2.661 2.399 2.838 . 0 0 "[ . 1 . 2]" 1
1197 1 54 VAL MG1 1 58 ARG QD . . 3.230 2.168 1.991 2.535 . 0 0 "[ . 1 . 2]" 1
1198 1 54 VAL MG2 1 55 HIS H . . 4.020 3.851 3.689 3.985 . 0 0 "[ . 1 . 2]" 1
1199 1 54 VAL MG2 1 55 HIS HA . . 5.500 5.384 5.336 5.407 . 0 0 "[ . 1 . 2]" 1
1200 1 54 VAL MG2 1 57 GLU HB2 . . 4.450 4.043 3.871 4.244 . 0 0 "[ . 1 . 2]" 1
1201 1 54 VAL MG2 1 57 GLU HB3 . . 5.500 5.246 4.997 5.494 . 0 0 "[ . 1 . 2]" 1
1202 1 54 VAL MG2 1 57 GLU QG . . 4.830 3.926 3.649 4.272 . 0 0 "[ . 1 . 2]" 1
1203 1 54 VAL MG2 1 58 ARG QD . . 5.200 4.705 4.542 5.058 . 0 0 "[ . 1 . 2]" 1
1204 1 55 HIS H 1 55 HIS HB2 . . 3.250 2.777 2.686 2.847 . 0 0 "[ . 1 . 2]" 1
1205 1 55 HIS H 1 55 HIS HB3 . . 3.540 2.318 2.255 2.419 . 0 0 "[ . 1 . 2]" 1
1206 1 55 HIS H 1 55 HIS HD2 . . 4.940 4.807 4.698 4.959 0.019 19 0 "[ . 1 . 2]" 1
1207 1 55 HIS H 1 56 ILE H . . 3.400 2.828 2.769 3.032 . 0 0 "[ . 1 . 2]" 1
1208 1 55 HIS H 1 56 ILE HG13 . . 5.050 4.633 4.499 5.018 . 0 0 "[ . 1 . 2]" 1
1209 1 55 HIS H 1 58 ARG QD . . 4.460 4.017 3.665 4.341 . 0 0 "[ . 1 . 2]" 1
1210 1 55 HIS HA 1 55 HIS HD2 . . 4.900 4.597 4.497 4.669 . 0 0 "[ . 1 . 2]" 1
1211 1 55 HIS HA 1 56 ILE HA . . 4.910 4.701 4.690 4.738 . 0 0 "[ . 1 . 2]" 1
1212 1 55 HIS HA 1 56 ILE HG13 . . 5.360 5.110 5.044 5.285 . 0 0 "[ . 1 . 2]" 1
1213 1 55 HIS HA 1 58 ARG H . . 4.240 3.723 3.588 3.802 . 0 0 "[ . 1 . 2]" 1
1214 1 55 HIS HA 1 58 ARG HB3 . . 4.580 3.925 3.485 4.194 . 0 0 "[ . 1 . 2]" 1
1215 1 55 HIS HA 1 58 ARG QD . . 3.630 2.240 1.957 2.665 . 0 0 "[ . 1 . 2]" 1
1216 1 55 HIS HA 1 58 ARG HG2 . . 3.930 2.369 2.146 2.557 . 0 0 "[ . 1 . 2]" 1
1217 1 55 HIS HA 1 58 ARG HG3 . . 3.930 3.801 3.607 3.933 0.003 20 0 "[ . 1 . 2]" 1
1218 1 55 HIS HA 1 59 VAL H . . 4.020 3.692 3.436 3.868 . 0 0 "[ . 1 . 2]" 1
1219 1 55 HIS HA 1 59 VAL HB . . 4.840 4.325 3.910 4.450 . 0 0 "[ . 1 . 2]" 1
1220 1 55 HIS HA 1 59 VAL QG . . 3.680 2.949 2.666 3.872 0.192 19 0 "[ . 1 . 2]" 1
1221 1 55 HIS HA 1 60 HIS H . . 5.500 5.425 5.181 5.506 0.006 6 0 "[ . 1 . 2]" 1
1222 1 55 HIS HB2 1 55 HIS HE1 . . 5.050 4.781 4.767 4.798 . 0 0 "[ . 1 . 2]" 1
1223 1 55 HIS HB2 1 56 ILE H . . 4.220 4.067 3.964 4.143 . 0 0 "[ . 1 . 2]" 1
1224 1 55 HIS HB2 1 56 ILE HG13 . . 5.160 4.916 4.820 5.029 . 0 0 "[ . 1 . 2]" 1
1225 1 55 HIS HB2 1 59 VAL QG . . 4.960 3.960 3.706 4.521 . 0 0 "[ . 1 . 2]" 1
1226 1 55 HIS HB3 1 56 ILE H . . 3.340 2.773 2.607 2.899 . 0 0 "[ . 1 . 2]" 1
1227 1 55 HIS HB3 1 56 ILE MD . . 4.520 4.284 4.145 4.417 . 0 0 "[ . 1 . 2]" 1
1228 1 55 HIS HB3 1 56 ILE HG13 . . 4.210 3.364 3.222 3.470 . 0 0 "[ . 1 . 2]" 1
1229 1 55 HIS HB3 1 59 VAL QG . . 5.100 4.483 4.327 4.636 . 0 0 "[ . 1 . 2]" 1
1230 1 55 HIS HD2 1 56 ILE H . . 3.930 3.394 3.224 3.507 . 0 0 "[ . 1 . 2]" 1
1231 1 55 HIS HD2 1 56 ILE HA . . 3.810 3.455 3.222 3.618 . 0 0 "[ . 1 . 2]" 1
1232 1 55 HIS HD2 1 56 ILE HB . . 4.650 4.588 4.480 4.656 0.006 2 0 "[ . 1 . 2]" 1
1233 1 55 HIS HD2 1 56 ILE MD . . 3.940 3.450 3.336 3.578 . 0 0 "[ . 1 . 2]" 1
1234 1 55 HIS HD2 1 56 ILE HG12 . . 3.830 3.016 2.744 3.196 . 0 0 "[ . 1 . 2]" 1
1235 1 55 HIS HD2 1 56 ILE HG13 . . 3.650 2.087 2.011 2.171 . 0 0 "[ . 1 . 2]" 1
1236 1 55 HIS HD2 1 60 HIS HB2 . . 5.500 5.357 4.621 5.521 0.021 13 0 "[ . 1 . 2]" 1
1237 1 55 HIS HD2 1 60 HIS HD2 . . 3.630 2.953 2.541 3.128 . 0 0 "[ . 1 . 2]" 1
1238 1 55 HIS HE1 1 59 VAL HB . . 4.300 3.848 3.584 4.232 . 0 0 "[ . 1 . 2]" 1
1239 1 55 HIS HE1 1 59 VAL MG1 . . 3.690 2.981 2.518 3.382 . 0 0 "[ . 1 . 2]" 1
1240 1 55 HIS HE1 1 59 VAL QG . . 3.180 2.468 2.265 2.704 . 0 0 "[ . 1 . 2]" 1
1241 1 55 HIS HE1 1 59 VAL MG2 . . 3.690 2.675 2.408 3.292 . 0 0 "[ . 1 . 2]" 1
1242 1 56 ILE H 1 56 ILE HB . . 3.170 2.482 2.423 2.521 . 0 0 "[ . 1 . 2]" 1
1243 1 56 ILE H 1 56 ILE MD . . 3.680 3.296 3.195 3.411 . 0 0 "[ . 1 . 2]" 1
1244 1 56 ILE H 1 56 ILE HG12 . . 3.840 3.765 3.658 3.862 0.022 8 0 "[ . 1 . 2]" 1
1245 1 56 ILE H 1 56 ILE HG13 . . 3.390 2.331 2.232 2.466 . 0 0 "[ . 1 . 2]" 1
1246 1 56 ILE H 1 56 ILE MG . . 3.790 3.765 3.744 3.775 . 0 0 "[ . 1 . 2]" 1
1247 1 56 ILE H 1 57 GLU H . . 3.410 2.443 2.400 2.598 . 0 0 "[ . 1 . 2]" 1
1248 1 56 ILE H 1 57 GLU HA . . 5.370 5.097 5.053 5.227 . 0 0 "[ . 1 . 2]" 1
1249 1 56 ILE H 1 58 ARG H . . 4.710 3.791 3.750 3.914 . 0 0 "[ . 1 . 2]" 1
1250 1 56 ILE H 1 60 HIS HD2 . . 4.560 4.440 4.297 4.548 . 0 0 "[ . 1 . 2]" 1
1251 1 56 ILE HA 1 56 ILE MD . . 4.050 3.875 3.843 3.892 . 0 0 "[ . 1 . 2]" 1
1252 1 56 ILE HA 1 56 ILE HG12 . . 3.460 2.747 2.666 2.825 . 0 0 "[ . 1 . 2]" 1
1253 1 56 ILE HA 1 56 ILE HG13 . . 3.590 2.734 2.668 2.835 . 0 0 "[ . 1 . 2]" 1
1254 1 56 ILE HA 1 56 ILE MG . . 3.230 2.428 2.359 2.494 . 0 0 "[ . 1 . 2]" 1
1255 1 56 ILE HA 1 58 ARG H . . 4.690 3.712 3.641 3.815 . 0 0 "[ . 1 . 2]" 1
1256 1 56 ILE HA 1 59 VAL H . . 4.210 3.304 3.147 3.561 . 0 0 "[ . 1 . 2]" 1
1257 1 56 ILE HA 1 59 VAL HB . . 5.070 3.127 2.919 4.425 . 0 0 "[ . 1 . 2]" 1
1258 1 56 ILE HA 1 59 VAL MG1 . . 5.020 4.194 2.208 4.575 . 0 0 "[ . 1 . 2]" 1
1259 1 56 ILE HA 1 59 VAL QG . . 4.340 3.703 2.205 3.991 . 0 0 "[ . 1 . 2]" 1
1260 1 56 ILE HA 1 59 VAL MG2 . . 5.020 4.237 4.048 4.991 . 0 0 "[ . 1 . 2]" 1
1261 1 56 ILE HA 1 60 HIS H . . 3.700 2.193 1.978 2.369 . 0 0 "[ . 1 . 2]" 1
1262 1 56 ILE HA 1 60 HIS HA . . 4.970 4.702 4.265 4.885 . 0 0 "[ . 1 . 2]" 1
1263 1 56 ILE HA 1 60 HIS HB2 . . 3.800 2.749 1.992 2.995 . 0 0 "[ . 1 . 2]" 1
1264 1 56 ILE HA 1 60 HIS HB3 . . 4.720 4.403 3.733 4.615 . 0 0 "[ . 1 . 2]" 1
1265 1 56 ILE HA 1 60 HIS HD2 . . 3.020 2.196 2.100 2.378 . 0 0 "[ . 1 . 2]" 1
1266 1 56 ILE HA 1 61 LYS QB . . 5.340 5.333 5.016 5.462 0.122 19 0 "[ . 1 . 2]" 1
1267 1 56 ILE HB 1 56 ILE MD . . 3.110 2.251 2.104 2.356 . 0 0 "[ . 1 . 2]" 1
1268 1 56 ILE HB 1 57 GLU H . . 3.140 2.790 2.588 3.060 . 0 0 "[ . 1 . 2]" 1
1269 1 56 ILE HB 1 57 GLU QG . . 3.740 3.142 2.991 3.496 . 0 0 "[ . 1 . 2]" 1
1270 1 56 ILE HB 1 60 HIS HD2 . . 4.620 4.608 4.502 4.713 0.093 19 0 "[ . 1 . 2]" 1
1271 1 56 ILE MD 1 56 ILE MG . . 2.830 2.330 2.147 2.491 . 0 0 "[ . 1 . 2]" 1
1272 1 56 ILE MD 1 57 GLU H . . 4.720 4.475 4.256 4.695 . 0 0 "[ . 1 . 2]" 1
1273 1 56 ILE MD 1 60 HIS HB2 . . 4.890 4.546 3.942 4.796 . 0 0 "[ . 1 . 2]" 1
1274 1 56 ILE MD 1 60 HIS HD2 . . 4.510 4.153 4.037 4.305 . 0 0 "[ . 1 . 2]" 1
1275 1 56 ILE HG12 1 56 ILE MG . . 3.160 2.145 2.058 2.301 . 0 0 "[ . 1 . 2]" 1
1276 1 56 ILE HG12 1 60 HIS HB2 . . 4.980 3.401 2.584 3.763 . 0 0 "[ . 1 . 2]" 1
1277 1 56 ILE HG12 1 60 HIS HD2 . . 3.700 2.562 2.417 2.747 . 0 0 "[ . 1 . 2]" 1
1278 1 56 ILE HG13 1 56 ILE MG . . 3.420 3.154 3.136 3.178 . 0 0 "[ . 1 . 2]" 1
1279 1 56 ILE HG13 1 57 GLU H . . 4.900 4.324 4.236 4.445 . 0 0 "[ . 1 . 2]" 1
1280 1 56 ILE HG13 1 60 HIS HD2 . . 4.000 3.195 2.969 3.345 . 0 0 "[ . 1 . 2]" 1
1281 1 56 ILE MG 1 57 GLU H . . 3.800 3.565 3.339 3.760 . 0 0 "[ . 1 . 2]" 1
1282 1 56 ILE MG 1 57 GLU HA . . 3.980 3.525 3.362 3.670 . 0 0 "[ . 1 . 2]" 1
1283 1 56 ILE MG 1 57 GLU HB3 . . 5.500 5.357 5.095 5.503 0.003 6 0 "[ . 1 . 2]" 1
1284 1 56 ILE MG 1 57 GLU QG . . 4.310 3.605 3.340 3.770 . 0 0 "[ . 1 . 2]" 1
1285 1 56 ILE MG 1 58 ARG H . . 4.680 4.534 4.354 4.703 0.023 6 0 "[ . 1 . 2]" 1
1286 1 56 ILE MG 1 59 VAL H . . 5.420 4.714 4.460 5.045 . 0 0 "[ . 1 . 2]" 1
1287 1 56 ILE MG 1 60 HIS H . . 4.210 3.353 3.100 3.724 . 0 0 "[ . 1 . 2]" 1
1288 1 56 ILE MG 1 60 HIS HA . . 4.670 4.313 3.959 4.604 . 0 0 "[ . 1 . 2]" 1
1289 1 56 ILE MG 1 60 HIS HB2 . . 3.540 1.909 1.780 1.988 . 0 0 "[ . 1 . 2]" 1
1290 1 56 ILE MG 1 60 HIS HB3 . . 3.790 3.213 2.553 3.481 . 0 0 "[ . 1 . 2]" 1
1291 1 56 ILE MG 1 60 HIS HD2 . . 3.610 3.137 2.877 3.634 0.024 19 0 "[ . 1 . 2]" 1
1292 1 56 ILE MG 1 61 LYS HA . . 4.750 3.739 3.492 4.047 . 0 0 "[ . 1 . 2]" 1
1293 1 56 ILE MG 1 61 LYS QB . . 5.050 4.616 4.257 4.977 . 0 0 "[ . 1 . 2]" 1
1294 1 57 GLU H 1 57 GLU HB2 . . 3.240 2.548 2.422 2.642 . 0 0 "[ . 1 . 2]" 1
1295 1 57 GLU H 1 57 GLU HB3 . . 3.770 3.611 3.596 3.644 . 0 0 "[ . 1 . 2]" 1
1296 1 57 GLU H 1 57 GLU HG2 . . 3.750 2.429 1.985 3.329 . 0 0 "[ . 1 . 2]" 1
1297 1 57 GLU H 1 57 GLU HG3 . . 3.750 3.074 2.263 3.358 . 0 0 "[ . 1 . 2]" 1
1298 1 57 GLU H 1 58 ARG H . . 3.440 2.492 2.345 2.593 . 0 0 "[ . 1 . 2]" 1
1299 1 57 GLU H 1 58 ARG QG . . 5.340 4.409 4.177 4.771 . 0 0 "[ . 1 . 2]" 1
1300 1 57 GLU H 1 59 VAL QG . . 5.440 5.140 4.748 5.310 . 0 0 "[ . 1 . 2]" 1
1301 1 57 GLU H 1 61 LYS QB . . 5.340 4.856 4.413 5.003 . 0 0 "[ . 1 . 2]" 1
1302 1 57 GLU HA 1 57 GLU HG2 . . 3.860 2.723 2.366 2.892 . 0 0 "[ . 1 . 2]" 1
1303 1 57 GLU HA 1 57 GLU QG . . 3.280 2.658 2.319 2.816 . 0 0 "[ . 1 . 2]" 1
1304 1 57 GLU HA 1 57 GLU HG3 . . 3.860 3.719 3.226 3.874 0.014 19 0 "[ . 1 . 2]" 1
1305 1 57 GLU HA 1 61 LYS H . . 4.630 4.613 4.454 4.665 0.035 17 0 "[ . 1 . 2]" 1
1306 1 57 GLU HA 1 61 LYS HA . . 4.450 3.125 2.959 3.391 . 0 0 "[ . 1 . 2]" 1
1307 1 57 GLU HA 1 61 LYS QB . . 3.510 2.855 2.242 3.205 . 0 0 "[ . 1 . 2]" 1
1308 1 57 GLU HA 1 61 LYS QD . . 5.320 4.373 3.207 5.330 0.010 20 0 "[ . 1 . 2]" 1
1309 1 57 GLU HA 1 61 LYS QE . . 5.500 4.312 1.963 5.471 . 0 0 "[ . 1 . 2]" 1
1310 1 57 GLU HA 1 61 LYS HG2 . . 5.500 3.833 2.744 5.136 . 0 0 "[ . 1 . 2]" 1
1311 1 57 GLU HA 1 61 LYS HG3 . . 5.500 4.334 3.391 5.490 . 0 0 "[ . 1 . 2]" 1
1312 1 57 GLU HB2 1 58 ARG H . . 3.660 3.327 3.248 3.376 . 0 0 "[ . 1 . 2]" 1
1313 1 57 GLU HB2 1 61 LYS QB . . 5.100 4.865 4.540 5.075 . 0 0 "[ . 1 . 2]" 1
1314 1 57 GLU HB3 1 58 ARG H . . 4.350 4.213 4.138 4.291 . 0 0 "[ . 1 . 2]" 1
1315 1 57 GLU HB3 1 58 ARG HA . . 5.500 4.784 4.699 4.873 . 0 0 "[ . 1 . 2]" 1
1316 1 57 GLU QG 1 58 ARG H . . 4.350 4.172 4.087 4.315 . 0 0 "[ . 1 . 2]" 1
1317 1 57 GLU HG2 1 58 ARG H . . 5.090 4.521 4.297 5.071 . 0 0 "[ . 1 . 2]" 1
1318 1 57 GLU HG3 1 58 ARG H . . 5.090 5.007 4.479 5.176 0.086 13 0 "[ . 1 . 2]" 1
1319 1 58 ARG H 1 58 ARG HB2 . . 3.980 3.759 3.720 3.798 . 0 0 "[ . 1 . 2]" 1
1320 1 58 ARG H 1 58 ARG HB3 . . 3.210 2.696 2.552 2.810 . 0 0 "[ . 1 . 2]" 1
1321 1 58 ARG H 1 58 ARG QD . . 4.160 3.816 3.560 4.190 0.030 19 0 "[ . 1 . 2]" 1
1322 1 58 ARG H 1 58 ARG HG2 . . 4.050 2.537 2.419 2.844 . 0 0 "[ . 1 . 2]" 1
1323 1 58 ARG H 1 58 ARG QG . . 3.370 2.502 2.392 2.777 . 0 0 "[ . 1 . 2]" 1
1324 1 58 ARG H 1 58 ARG HG3 . . 4.050 3.834 3.738 3.999 . 0 0 "[ . 1 . 2]" 1
1325 1 58 ARG H 1 59 VAL HB . . 5.070 4.288 4.203 4.348 . 0 0 "[ . 1 . 2]" 1
1326 1 58 ARG H 1 59 VAL QG . . 4.100 3.761 3.559 3.882 . 0 0 "[ . 1 . 2]" 1
1327 1 58 ARG H 1 60 HIS H . . 4.400 3.834 3.470 3.955 . 0 0 "[ . 1 . 2]" 1
1328 1 58 ARG HA 1 58 ARG QD . . 4.610 4.418 4.266 4.532 . 0 0 "[ . 1 . 2]" 1
1329 1 58 ARG HA 1 59 VAL QG . . 5.060 4.575 4.460 5.021 . 0 0 "[ . 1 . 2]" 1
1330 1 58 ARG HA 1 60 HIS H . . 5.500 5.499 5.279 5.571 0.071 13 0 "[ . 1 . 2]" 1
1331 1 58 ARG HA 1 61 LYS QE . . 4.690 4.402 4.000 4.711 0.021 4 0 "[ . 1 . 2]" 1
1332 1 58 ARG HB2 1 58 ARG QD . . 3.660 2.840 2.458 3.054 . 0 0 "[ . 1 . 2]" 1
1333 1 58 ARG HB2 1 59 VAL HA . . 5.360 4.951 4.851 5.224 . 0 0 "[ . 1 . 2]" 1
1334 1 58 ARG HB3 1 58 ARG QD . . 3.700 2.266 2.123 2.416 . 0 0 "[ . 1 . 2]" 1
1335 1 58 ARG HB3 1 59 VAL HA . . 5.500 5.581 5.557 5.609 0.109 2 0 "[ . 1 . 2]" 1
1336 1 58 ARG HB3 1 59 VAL QG . . 4.720 4.240 4.093 4.987 0.267 19 0 "[ . 1 . 2]" 1
1337 1 58 ARG QD 1 59 VAL H . . 4.510 3.960 3.786 4.316 . 0 0 "[ . 1 . 2]" 1
1338 1 58 ARG QD 1 59 VAL QG . . 4.270 2.966 2.707 4.131 . 0 0 "[ . 1 . 2]" 1
1339 1 58 ARG QG 1 59 VAL H . . 3.430 2.033 1.876 2.417 . 0 0 "[ . 1 . 2]" 1
1340 1 58 ARG QG 1 59 VAL HA . . 4.470 3.244 3.175 3.322 . 0 0 "[ . 1 . 2]" 1
1341 1 58 ARG QG 1 59 VAL QG . . 3.290 1.920 1.752 3.133 . 0 0 "[ . 1 . 2]" 1
1342 1 58 ARG HG2 1 59 VAL MG1 . . 4.950 4.568 3.671 4.708 . 0 0 "[ . 1 . 2]" 1
1343 1 58 ARG HG2 1 59 VAL MG2 . . 4.950 2.154 1.967 4.178 . 0 0 "[ . 1 . 2]" 1
1344 1 58 ARG HG3 1 59 VAL MG1 . . 4.950 4.576 4.391 4.791 . 0 0 "[ . 1 . 2]" 1
1345 1 58 ARG HG3 1 59 VAL MG2 . . 4.950 2.239 1.963 3.823 . 0 0 "[ . 1 . 2]" 1
1346 1 59 VAL H 1 59 VAL HB . . 3.100 2.519 2.443 2.668 . 0 0 "[ . 1 . 2]" 1
1347 1 59 VAL H 1 59 VAL MG1 . . 3.930 3.726 2.515 3.811 . 0 0 "[ . 1 . 2]" 1
1348 1 59 VAL H 1 59 VAL QG . . 2.960 2.407 2.204 2.600 . 0 0 "[ . 1 . 2]" 1
1349 1 59 VAL H 1 59 VAL MG2 . . 3.930 2.503 2.218 3.865 . 0 0 "[ . 1 . 2]" 1
1350 1 59 VAL H 1 60 HIS H . . 3.090 2.563 2.152 2.682 . 0 0 "[ . 1 . 2]" 1
1351 1 59 VAL H 1 60 HIS HA . . 5.360 5.056 4.783 5.149 . 0 0 "[ . 1 . 2]" 1
1352 1 59 VAL H 1 60 HIS HD2 . . 4.970 4.622 4.479 4.780 . 0 0 "[ . 1 . 2]" 1
1353 1 59 VAL H 1 61 LYS H . . 4.530 3.983 3.828 4.245 . 0 0 "[ . 1 . 2]" 1
1354 1 59 VAL HA 1 59 VAL MG1 . . 3.230 2.415 2.275 3.138 . 0 0 "[ . 1 . 2]" 1
1355 1 59 VAL HA 1 59 VAL QG . . 2.790 2.108 2.039 2.174 . 0 0 "[ . 1 . 2]" 1
1356 1 59 VAL HA 1 59 VAL MG2 . . 3.230 2.356 2.089 2.449 . 0 0 "[ . 1 . 2]" 1
1357 1 59 VAL HB 1 60 HIS H . . 3.810 2.179 2.039 3.474 . 0 0 "[ . 1 . 2]" 1
1358 1 59 VAL HB 1 60 HIS HB2 . . 5.490 4.442 4.288 5.625 0.135 19 0 "[ . 1 . 2]" 1
1359 1 59 VAL HB 1 60 HIS HD2 . . 5.110 3.057 2.769 4.616 . 0 0 "[ . 1 . 2]" 1
1360 1 59 VAL QG 1 60 HIS H . . 3.510 2.812 1.772 2.930 . 0 0 "[ . 1 . 2]" 1
1361 1 59 VAL QG 1 60 HIS HA . . 4.500 3.410 2.949 3.563 . 0 0 "[ . 1 . 2]" 1
1362 1 59 VAL QG 1 60 HIS HB2 . . 4.960 4.241 3.008 4.388 . 0 0 "[ . 1 . 2]" 1
1363 1 59 VAL QG 1 60 HIS HB3 . . 4.980 4.422 3.767 4.594 . 0 0 "[ . 1 . 2]" 1
1364 1 59 VAL QG 1 60 HIS HE1 . . 3.890 3.230 2.933 3.613 . 0 0 "[ . 1 . 2]" 1
1365 1 59 VAL MG1 1 60 HIS H . . 4.040 2.938 1.775 3.074 . 0 0 "[ . 1 . 2]" 1
1366 1 59 VAL MG1 1 60 HIS HD2 . . 4.670 3.383 2.146 3.837 . 0 0 "[ . 1 . 2]" 1
1367 1 59 VAL MG2 1 60 HIS H . . 4.040 3.661 3.603 3.874 . 0 0 "[ . 1 . 2]" 1
1368 1 59 VAL MG2 1 60 HIS HD2 . . 4.670 4.314 4.110 4.485 . 0 0 "[ . 1 . 2]" 1
1369 1 60 HIS H 1 60 HIS HB2 . . 3.490 2.656 2.467 2.754 . 0 0 "[ . 1 . 2]" 1
1370 1 60 HIS H 1 60 HIS HB3 . . 3.680 3.671 3.649 3.708 0.028 10 0 "[ . 1 . 2]" 1
1371 1 60 HIS H 1 60 HIS HD2 . . 3.940 2.810 2.643 3.231 . 0 0 "[ . 1 . 2]" 1
1372 1 60 HIS H 1 61 LYS H . . 3.430 3.169 3.031 3.368 . 0 0 "[ . 1 . 2]" 1
1373 1 60 HIS H 1 61 LYS HA . . 4.910 4.785 4.729 4.846 . 0 0 "[ . 1 . 2]" 1
1374 1 60 HIS H 1 61 LYS QB . . 4.780 4.404 4.312 4.510 . 0 0 "[ . 1 . 2]" 1
1375 1 60 HIS HA 1 60 HIS HD2 . . 4.930 4.536 4.465 4.601 . 0 0 "[ . 1 . 2]" 1
1376 1 60 HIS HB2 1 60 HIS HD2 . . 3.640 2.753 2.716 2.789 . 0 0 "[ . 1 . 2]" 1
1377 1 60 HIS HB2 1 61 LYS H . . 4.380 4.251 4.161 4.347 . 0 0 "[ . 1 . 2]" 1
1378 1 60 HIS HB2 1 63 ILE MD . . 4.960 4.388 3.912 4.972 0.012 19 0 "[ . 1 . 2]" 1
1379 1 60 HIS HB2 1 63 ILE MG . . 4.830 4.124 3.411 4.826 . 0 0 "[ . 1 . 2]" 1
1380 1 60 HIS HB3 1 60 HIS HD2 . . 3.860 3.849 3.797 3.886 0.026 16 0 "[ . 1 . 2]" 1
1381 1 60 HIS HB3 1 61 LYS H . . 4.520 4.493 4.438 4.530 0.010 6 0 "[ . 1 . 2]" 1
1382 1 60 HIS HB3 1 63 ILE HB . . 4.960 3.372 2.835 4.601 . 0 0 "[ . 1 . 2]" 1
1383 1 60 HIS HB3 1 63 ILE MD . . 4.400 2.920 2.517 3.423 . 0 0 "[ . 1 . 2]" 1
1384 1 60 HIS HB3 1 63 ILE QG . . 5.220 4.635 4.377 5.071 . 0 0 "[ . 1 . 2]" 1
1385 1 60 HIS HB3 1 63 ILE MG . . 4.460 3.287 1.979 4.427 . 0 0 "[ . 1 . 2]" 1
1386 1 60 HIS HE1 1 63 ILE MD . . 5.390 5.148 4.367 5.464 0.074 19 0 "[ . 1 . 2]" 1
1387 1 61 LYS H 1 61 LYS HB2 . . 3.910 2.765 2.414 3.677 . 0 0 "[ . 1 . 2]" 1
1388 1 61 LYS H 1 61 LYS QB . . 3.380 2.276 2.170 2.644 . 0 0 "[ . 1 . 2]" 1
1389 1 61 LYS H 1 61 LYS HB3 . . 3.910 2.513 2.234 2.726 . 0 0 "[ . 1 . 2]" 1
1390 1 61 LYS H 1 61 LYS QD . . 4.780 4.372 3.723 4.577 . 0 0 "[ . 1 . 2]" 1
1391 1 61 LYS H 1 61 LYS QE . . 5.500 4.761 4.271 5.498 . 0 0 "[ . 1 . 2]" 1
1392 1 61 LYS H 1 61 LYS HG2 . . 5.090 4.360 3.356 4.632 . 0 0 "[ . 1 . 2]" 1
1393 1 61 LYS H 1 61 LYS QG . . 4.230 3.788 2.123 4.068 . 0 0 "[ . 1 . 2]" 1
1394 1 61 LYS H 1 61 LYS HG3 . . 5.090 4.234 2.147 4.710 . 0 0 "[ . 1 . 2]" 1
1395 1 61 LYS HA 1 61 LYS QD . . 3.740 2.893 2.022 3.684 . 0 0 "[ . 1 . 2]" 1
1396 1 61 LYS HA 1 61 LYS QG . . 3.520 2.698 2.218 3.434 . 0 0 "[ . 1 . 2]" 1
1397 1 61 LYS QD 1 62 LYS HA . . 4.240 3.604 3.275 4.042 . 0 0 "[ . 1 . 2]" 1
1398 1 61 LYS QE 1 61 LYS QG . . 3.010 2.235 2.073 2.504 . 0 0 "[ . 1 . 2]" 1
1399 1 61 LYS QE 1 62 LYS HA . . 5.500 5.460 5.294 5.647 0.147 4 0 "[ . 1 . 2]" 1
1400 1 61 LYS QG 1 62 LYS H . . 4.130 3.089 2.446 4.036 . 0 0 "[ . 1 . 2]" 1
1401 1 62 LYS HA 1 62 LYS QE . . 5.340 4.089 1.946 4.862 . 0 0 "[ . 1 . 2]" 1
1402 1 62 LYS HA 1 62 LYS QG . . 3.330 2.338 2.132 2.701 . 0 0 "[ . 1 . 2]" 1
1403 1 62 LYS HA 1 63 ILE H . . 3.440 2.608 2.585 2.617 . 0 0 "[ . 1 . 2]" 1
1404 1 62 LYS HA 1 63 ILE HB . . 5.500 5.161 5.021 5.254 . 0 0 "[ . 1 . 2]" 1
1405 1 62 LYS HA 1 63 ILE MG . . 5.010 4.210 3.835 4.470 . 0 0 "[ . 1 . 2]" 1
1406 1 62 LYS QB 1 62 LYS QE . . 4.480 3.068 1.978 3.761 . 0 0 "[ . 1 . 2]" 1
1407 1 62 LYS HB2 1 63 ILE H . . 5.500 4.533 4.383 4.652 . 0 0 "[ . 1 . 2]" 1
1408 1 62 LYS HB3 1 63 ILE H . . 5.500 4.338 4.316 4.383 . 0 0 "[ . 1 . 2]" 1
1409 1 62 LYS QG 1 63 ILE H . . 5.050 4.410 4.124 4.705 . 0 0 "[ . 1 . 2]" 1
1410 1 63 ILE H 1 63 ILE HB . . 3.650 2.825 2.545 3.420 . 0 0 "[ . 1 . 2]" 1
1411 1 63 ILE H 1 63 ILE MD . . 5.500 4.502 4.145 4.886 . 0 0 "[ . 1 . 2]" 1
1412 1 63 ILE H 1 63 ILE HG12 . . 4.780 4.530 4.426 4.701 . 0 0 "[ . 1 . 2]" 1
1413 1 63 ILE H 1 63 ILE QG . . 4.170 4.031 3.972 4.128 . 0 0 "[ . 1 . 2]" 1
1414 1 63 ILE H 1 63 ILE HG13 . . 4.780 4.525 4.404 4.739 . 0 0 "[ . 1 . 2]" 1
1415 1 63 ILE H 1 63 ILE MG . . 4.240 2.114 1.878 2.398 . 0 0 "[ . 1 . 2]" 1
1416 1 63 ILE HA 1 63 ILE MD . . 3.820 3.521 2.226 3.751 . 0 0 "[ . 1 . 2]" 1
1417 1 63 ILE HA 1 63 ILE HG12 . . 3.850 3.269 3.103 3.740 . 0 0 "[ . 1 . 2]" 1
1418 1 63 ILE HA 1 63 ILE HG13 . . 3.850 2.380 2.214 2.710 . 0 0 "[ . 1 . 2]" 1
1419 1 63 ILE HA 1 63 ILE MG . . 3.230 3.193 3.183 3.202 . 0 0 "[ . 1 . 2]" 1
1420 1 63 ILE HA 1 64 LYS H . . 3.360 2.245 2.165 2.326 . 0 0 "[ . 1 . 2]" 1
1421 1 63 ILE HB 1 63 ILE MD . . 3.420 2.282 2.127 2.409 . 0 0 "[ . 1 . 2]" 1
1422 1 63 ILE HB 1 64 LYS H . . 4.190 4.017 3.851 4.193 0.003 10 0 "[ . 1 . 2]" 1
1423 1 63 ILE MD 1 65 GLN QG . . 5.340 5.047 3.274 5.355 0.015 2 0 "[ . 1 . 2]" 1
1424 1 63 ILE QG 1 63 ILE MG . . 2.990 2.166 1.967 2.323 . 0 0 "[ . 1 . 2]" 1
1425 1 63 ILE QG 1 64 LYS H . . 4.590 2.178 1.956 2.447 . 0 0 "[ . 1 . 2]" 1
1426 1 63 ILE QG 1 64 LYS QB . . 5.080 3.747 2.642 4.659 . 0 0 "[ . 1 . 2]" 1
1427 1 63 ILE QG 1 64 LYS QG . . 4.130 3.557 2.267 4.195 0.065 19 0 "[ . 1 . 2]" 1
1428 1 63 ILE HG12 1 63 ILE MG . . 3.440 2.212 2.028 2.385 . 0 0 "[ . 1 . 2]" 1
1429 1 63 ILE HG13 1 63 ILE MG . . 3.440 3.119 2.582 3.198 . 0 0 "[ . 1 . 2]" 1
1430 1 63 ILE MG 1 64 LYS H . . 4.170 3.695 3.486 3.970 . 0 0 "[ . 1 . 2]" 1
1431 1 63 ILE MG 1 64 LYS HA . . 4.860 4.290 3.687 4.754 . 0 0 "[ . 1 . 2]" 1
1432 1 63 ILE MG 1 65 GLN HA . . 4.770 4.230 3.333 4.768 . 0 0 "[ . 1 . 2]" 1
1433 1 63 ILE MG 1 65 GLN QE . . 4.750 3.658 1.958 4.652 . 0 0 "[ . 1 . 2]" 1
1434 1 63 ILE MG 1 65 GLN QG . . 4.500 3.303 2.576 4.456 . 0 0 "[ . 1 . 2]" 1
1435 1 64 LYS H 1 64 LYS QB . . 3.750 2.553 2.321 3.003 . 0 0 "[ . 1 . 2]" 1
1436 1 64 LYS H 1 64 LYS QG . . 4.230 2.353 1.883 3.268 . 0 0 "[ . 1 . 2]" 1
1437 1 64 LYS HA 1 64 LYS HG2 . . 3.940 3.364 2.681 4.137 0.197 15 0 "[ . 1 . 2]" 1
1438 1 64 LYS HA 1 64 LYS QG . . 3.370 2.938 2.267 3.344 . 0 0 "[ . 1 . 2]" 1
1439 1 64 LYS HA 1 64 LYS HG3 . . 3.940 3.464 2.292 4.160 0.220 7 0 "[ . 1 . 2]" 1
1440 1 64 LYS HA 1 74 TYR H . . 5.030 4.525 3.567 5.051 0.021 15 0 "[ . 1 . 2]" 1
1441 1 64 LYS QB 1 64 LYS QE . . 4.470 3.071 1.965 3.770 . 0 0 "[ . 1 . 2]" 1
1442 1 64 LYS QB 1 73 LYS QG . . 5.330 3.641 2.636 4.856 . 0 0 "[ . 1 . 2]" 1
1443 1 64 LYS QB 1 74 TYR H . . 4.980 4.079 2.893 4.922 . 0 0 "[ . 1 . 2]" 1
1444 1 65 GLN HA 1 65 GLN QE . . 4.780 3.936 1.871 4.783 0.003 2 0 "[ . 1 . 2]" 1
1445 1 65 GLN HA 1 65 GLN HG2 . . 4.120 2.983 2.281 3.634 . 0 0 "[ . 1 . 2]" 1
1446 1 65 GLN HA 1 65 GLN QG . . 3.570 2.584 2.094 2.945 . 0 0 "[ . 1 . 2]" 1
1447 1 65 GLN HA 1 65 GLN HG3 . . 4.120 3.199 2.129 3.813 . 0 0 "[ . 1 . 2]" 1
1448 1 65 GLN HA 1 66 HIS H . . 3.330 2.197 2.139 2.410 . 0 0 "[ . 1 . 2]" 1
1449 1 65 GLN HA 1 66 HIS QB . . 4.680 4.392 4.055 4.603 . 0 0 "[ . 1 . 2]" 1
1450 1 65 GLN HA 1 80 LEU QD . . 5.150 3.725 3.380 4.014 . 0 0 "[ . 1 . 2]" 1
1451 1 65 GLN QB 1 66 HIS H . . 4.050 3.349 2.401 3.875 . 0 0 "[ . 1 . 2]" 1
1452 1 65 GLN QB 1 74 TYR H . . 4.160 3.674 3.073 4.020 . 0 0 "[ . 1 . 2]" 1
1453 1 65 GLN QB 1 74 TYR QB . . 4.370 2.916 2.332 3.700 . 0 0 "[ . 1 . 2]" 1
1454 1 65 GLN QB 1 74 TYR QD . . 4.860 4.505 4.077 4.889 0.029 18 0 "[ . 1 . 2]" 1
1455 1 65 GLN QB 1 77 VAL HA . . 4.390 2.973 2.598 3.986 . 0 0 "[ . 1 . 2]" 1
1456 1 65 GLN QB 1 80 LEU HA . . 5.340 5.345 5.232 5.476 0.136 12 0 "[ . 1 . 2]" 1
1457 1 65 GLN QB 1 80 LEU HB2 . . 4.660 3.234 3.079 3.438 . 0 0 "[ . 1 . 2]" 1
1458 1 65 GLN QB 1 80 LEU HB3 . . 4.350 3.653 3.352 4.243 . 0 0 "[ . 1 . 2]" 1
1459 1 65 GLN QB 1 80 LEU QD . . 3.290 1.861 1.702 2.471 . 0 0 "[ . 1 . 2]" 1
1460 1 65 GLN HB2 1 66 HIS H . . 4.710 4.309 3.780 4.578 . 0 0 "[ . 1 . 2]" 1
1461 1 65 GLN HB2 1 74 TYR H . . 4.980 4.040 3.168 5.024 0.044 11 0 "[ . 1 . 2]" 1
1462 1 65 GLN HB3 1 66 HIS H . . 4.710 3.511 2.428 4.184 . 0 0 "[ . 1 . 2]" 1
1463 1 65 GLN HB3 1 74 TYR H . . 4.980 4.533 3.764 5.049 0.069 6 0 "[ . 1 . 2]" 1
1464 1 65 GLN QE 1 65 GLN QG . . 3.100 2.232 2.066 2.533 . 0 0 "[ . 1 . 2]" 1
1465 1 65 GLN QE 1 77 VAL HB . . 4.830 3.137 1.870 4.898 0.068 19 0 "[ . 1 . 2]" 1
1466 1 65 GLN QE 1 77 VAL MG2 . . 4.600 2.849 1.910 4.516 . 0 0 "[ . 1 . 2]" 1
1467 1 65 GLN QE 1 80 LEU QD . . 4.710 3.568 2.267 4.650 . 0 0 "[ . 1 . 2]" 1
1468 1 65 GLN QG 1 66 HIS H . . 5.260 4.107 2.558 4.804 . 0 0 "[ . 1 . 2]" 1
1469 1 65 GLN QG 1 74 TYR H . . 5.340 5.263 4.929 5.418 0.078 19 0 "[ . 1 . 2]" 1
1470 1 65 GLN QG 1 77 VAL HA . . 4.080 3.028 2.102 3.967 . 0 0 "[ . 1 . 2]" 1
1471 1 65 GLN QG 1 77 VAL MG1 . . 5.240 3.969 3.391 5.246 0.006 12 0 "[ . 1 . 2]" 1
1472 1 65 GLN QG 1 77 VAL MG2 . . 4.350 2.627 1.954 4.279 . 0 0 "[ . 1 . 2]" 1
1473 1 65 GLN QG 1 80 LEU QD . . 4.190 2.693 1.726 3.331 . 0 0 "[ . 1 . 2]" 1
1474 1 65 GLN HG2 1 77 VAL HA . . 4.930 3.857 2.111 4.814 . 0 0 "[ . 1 . 2]" 1
1475 1 65 GLN HG3 1 77 VAL HA . . 4.930 3.569 2.263 4.939 0.009 15 0 "[ . 1 . 2]" 1
1476 1 66 HIS H 1 66 HIS QB . . 3.710 2.830 2.446 3.012 . 0 0 "[ . 1 . 2]" 1
1477 1 66 HIS H 1 66 HIS HD2 . . 4.860 4.489 3.945 4.872 0.012 10 0 "[ . 1 . 2]" 1
1478 1 66 HIS H 1 67 CYS H . . 4.910 4.308 4.094 4.471 . 0 0 "[ . 1 . 2]" 1
1479 1 66 HIS H 1 80 LEU MD1 . . 5.500 4.997 4.427 5.512 0.012 12 0 "[ . 1 . 2]" 1
1480 1 66 HIS H 1 80 LEU QD . . 4.540 3.753 3.203 4.209 . 0 0 "[ . 1 . 2]" 1
1481 1 66 HIS H 1 80 LEU MD2 . . 5.500 3.887 3.287 4.421 . 0 0 "[ . 1 . 2]" 1
1482 1 66 HIS HA 1 67 CYS H . . 3.210 2.149 2.139 2.175 . 0 0 "[ . 1 . 2]" 1
1483 1 66 HIS HA 1 67 CYS HB2 . . 4.500 4.375 4.284 4.489 . 0 0 "[ . 1 . 2]" 1
1484 1 66 HIS HA 1 67 CYS HB3 . . 4.920 4.844 4.693 4.948 0.028 5 0 "[ . 1 . 2]" 1
1485 1 66 HIS HA 1 71 LYS HA . . 5.340 4.911 4.255 5.315 . 0 0 "[ . 1 . 2]" 1
1486 1 66 HIS HA 1 73 LYS HA . . 3.610 2.129 1.763 2.611 . 0 0 "[ . 1 . 2]" 1
1487 1 66 HIS HA 1 73 LYS HB2 . . 5.500 4.700 3.259 5.503 0.003 13 0 "[ . 1 . 2]" 1
1488 1 66 HIS HA 1 73 LYS HB3 . . 5.500 4.573 3.166 5.529 0.029 12 0 "[ . 1 . 2]" 1
1489 1 66 HIS HA 1 73 LYS QG . . 4.740 3.573 2.860 4.866 0.126 15 0 "[ . 1 . 2]" 1
1490 1 66 HIS HA 1 74 TYR H . . 3.900 3.430 2.541 3.689 . 0 0 "[ . 1 . 2]" 1
1491 1 66 HIS HA 1 74 TYR QD . . 4.690 3.890 2.946 4.358 . 0 0 "[ . 1 . 2]" 1
1492 1 66 HIS HA 1 80 LEU MD1 . . 5.270 3.991 3.374 4.690 . 0 0 "[ . 1 . 2]" 1
1493 1 66 HIS HA 1 80 LEU QD . . 4.290 3.587 3.097 4.287 . 0 0 "[ . 1 . 2]" 1
1494 1 66 HIS HA 1 80 LEU MD2 . . 5.270 4.094 3.364 4.959 . 0 0 "[ . 1 . 2]" 1
1495 1 66 HIS QB 1 66 HIS HE1 . . 4.850 4.452 4.392 4.483 . 0 0 "[ . 1 . 2]" 1
1496 1 66 HIS QB 1 67 CYS H . . 3.770 3.355 3.059 3.622 . 0 0 "[ . 1 . 2]" 1
1497 1 66 HIS QB 1 67 CYS HB3 . . 5.420 5.094 4.662 5.330 . 0 0 "[ . 1 . 2]" 1
1498 1 66 HIS QB 1 71 LYS HA . . 3.940 3.558 3.003 3.985 0.045 16 0 "[ . 1 . 2]" 1
1499 1 66 HIS QB 1 71 LYS QB . . 4.970 4.323 3.260 4.726 . 0 0 "[ . 1 . 2]" 1
1500 1 66 HIS QB 1 73 LYS HA . . 4.260 3.096 1.967 3.696 . 0 0 "[ . 1 . 2]" 1
1501 1 66 HIS QB 1 73 LYS QB . . 5.340 3.903 2.173 4.838 . 0 0 "[ . 1 . 2]" 1
1502 1 66 HIS QB 1 73 LYS QD . . 5.500 3.891 1.963 5.226 . 0 0 "[ . 1 . 2]" 1
1503 1 66 HIS QB 1 73 LYS HG2 . . 4.820 3.519 2.320 4.950 0.130 18 0 "[ . 1 . 2]" 1
1504 1 66 HIS QB 1 73 LYS QG . . 4.000 2.975 2.115 4.194 0.194 18 0 "[ . 1 . 2]" 1
1505 1 66 HIS QB 1 73 LYS HG3 . . 4.820 3.374 2.134 4.866 0.046 11 0 "[ . 1 . 2]" 1
1506 1 66 HIS QB 1 74 TYR H . . 5.080 4.495 3.359 4.923 . 0 0 "[ . 1 . 2]" 1
1507 1 66 HIS HD2 1 68 ARG HA . . 4.240 3.700 2.983 4.190 . 0 0 "[ . 1 . 2]" 1
1508 1 66 HIS HD2 1 68 ARG QB . . 5.180 4.509 3.584 5.305 0.125 10 0 "[ . 1 . 2]" 1
1509 1 66 HIS HD2 1 71 LYS HA . . 4.430 3.672 2.235 4.459 0.029 18 0 "[ . 1 . 2]" 1
1510 1 66 HIS HD2 1 71 LYS QD . . 4.980 4.046 3.008 5.060 0.080 10 0 "[ . 1 . 2]" 1
1511 1 67 CYS H 1 67 CYS HB2 . . 3.270 2.285 2.187 2.407 . 0 0 "[ . 1 . 2]" 1
1512 1 67 CYS H 1 67 CYS HB3 . . 3.430 2.819 2.659 2.937 . 0 0 "[ . 1 . 2]" 1
1513 1 67 CYS H 1 71 LYS H . . 5.450 5.098 4.804 5.454 0.004 9 0 "[ . 1 . 2]" 1
1514 1 67 CYS H 1 71 LYS HA . . 4.930 4.129 3.422 4.583 . 0 0 "[ . 1 . 2]" 1
1515 1 67 CYS H 1 72 LYS H . . 4.700 3.013 2.484 3.667 . 0 0 "[ . 1 . 2]" 1
1516 1 67 CYS H 1 73 LYS HA . . 4.160 3.504 2.969 3.859 . 0 0 "[ . 1 . 2]" 1
1517 1 67 CYS H 1 74 TYR H . . 4.910 4.661 4.243 4.946 0.036 15 0 "[ . 1 . 2]" 1
1518 1 67 CYS H 1 74 TYR QD . . 4.820 3.416 3.042 3.733 . 0 0 "[ . 1 . 2]" 1
1519 1 67 CYS H 1 74 TYR QE . . 4.850 4.333 3.542 4.674 . 0 0 "[ . 1 . 2]" 1
1520 1 67 CYS H 1 80 LEU QD . . 4.150 2.791 2.311 3.253 . 0 0 "[ . 1 . 2]" 1
1521 1 67 CYS HA 1 80 LEU MD1 . . 4.080 2.567 2.016 3.082 . 0 0 "[ . 1 . 2]" 1
1522 1 67 CYS HA 1 80 LEU QD . . 3.160 2.436 1.969 2.799 . 0 0 "[ . 1 . 2]" 1
1523 1 67 CYS HA 1 80 LEU MD2 . . 4.080 3.132 2.643 3.674 . 0 0 "[ . 1 . 2]" 1
1524 1 67 CYS HA 1 83 HIS HD2 . . 5.200 4.848 4.420 5.205 0.005 2 0 "[ . 1 . 2]" 1
1525 1 67 CYS HA 1 84 ILE MD . . 4.480 3.790 3.379 4.102 . 0 0 "[ . 1 . 2]" 1
1526 1 67 CYS HB2 1 70 CYS H . . 4.490 4.139 3.950 4.454 . 0 0 "[ . 1 . 2]" 1
1527 1 67 CYS HB2 1 71 LYS H . . 5.030 4.847 4.110 5.082 0.052 11 0 "[ . 1 . 2]" 1
1528 1 67 CYS HB2 1 72 LYS H . . 4.090 2.997 2.558 3.489 . 0 0 "[ . 1 . 2]" 1
1529 1 67 CYS HB2 1 72 LYS HB2 . . 4.910 3.774 2.756 4.454 . 0 0 "[ . 1 . 2]" 1
1530 1 67 CYS HB2 1 72 LYS HB3 . . 4.460 3.204 2.422 4.463 0.003 11 0 "[ . 1 . 2]" 1
1531 1 67 CYS HB2 1 74 TYR QE . . 3.850 3.362 2.960 3.847 . 0 0 "[ . 1 . 2]" 1
1532 1 67 CYS HB2 1 80 LEU MD1 . . 4.830 2.310 1.994 2.790 . 0 0 "[ . 1 . 2]" 1
1533 1 67 CYS HB2 1 80 LEU QD . . 3.460 2.297 1.986 2.773 . 0 0 "[ . 1 . 2]" 1
1534 1 67 CYS HB2 1 80 LEU MD2 . . 4.830 4.059 3.714 4.788 . 0 0 "[ . 1 . 2]" 1
1535 1 67 CYS HB2 1 83 HIS HD2 . . 3.720 3.475 3.108 3.727 0.007 2 0 "[ . 1 . 2]" 1
1536 1 67 CYS HB2 1 84 ILE MD . . 4.890 4.573 4.156 4.913 0.023 10 0 "[ . 1 . 2]" 1
1537 1 67 CYS HB3 1 69 PHE QB . . 4.910 4.128 3.795 4.515 . 0 0 "[ . 1 . 2]" 1
1538 1 67 CYS HB3 1 69 PHE QD . . 5.460 4.797 4.323 5.129 . 0 0 "[ . 1 . 2]" 1
1539 1 67 CYS HB3 1 70 CYS H . . 3.900 2.668 2.321 3.166 . 0 0 "[ . 1 . 2]" 1
1540 1 67 CYS HB3 1 71 LYS H . . 4.170 3.114 2.356 3.347 . 0 0 "[ . 1 . 2]" 1
1541 1 67 CYS HB3 1 71 LYS HA . . 4.550 3.567 3.026 4.032 . 0 0 "[ . 1 . 2]" 1
1542 1 67 CYS HB3 1 72 LYS H . . 3.790 1.921 1.870 2.152 . 0 0 "[ . 1 . 2]" 1
1543 1 67 CYS HB3 1 72 LYS HB2 . . 4.650 3.426 2.829 4.150 . 0 0 "[ . 1 . 2]" 1
1544 1 67 CYS HB3 1 72 LYS HB3 . . 4.720 3.542 2.749 4.442 . 0 0 "[ . 1 . 2]" 1
1545 1 67 CYS HB3 1 72 LYS QG . . 5.340 4.823 4.225 5.389 0.049 3 0 "[ . 1 . 2]" 1
1546 1 67 CYS HB3 1 74 TYR QE . . 4.480 4.439 4.276 4.533 0.053 18 0 "[ . 1 . 2]" 1
1547 1 67 CYS HB3 1 80 LEU QD . . 3.920 3.616 3.351 3.944 0.024 2 0 "[ . 1 . 2]" 1
1548 1 67 CYS HB3 1 83 HIS HD2 . . 5.060 4.697 4.321 5.003 . 0 0 "[ . 1 . 2]" 1
1549 1 67 CYS HB3 1 84 ILE MD . . 5.500 5.393 4.910 5.526 0.026 6 0 "[ . 1 . 2]" 1
1550 1 68 ARG H 1 68 ARG QG . . 4.850 2.957 1.873 4.105 . 0 0 "[ . 1 . 2]" 1
1551 1 68 ARG H 1 69 PHE H . . 4.710 2.413 1.981 2.898 . 0 0 "[ . 1 . 2]" 1
1552 1 68 ARG HA 1 68 ARG QD . . 4.090 3.773 3.573 4.123 0.033 16 0 "[ . 1 . 2]" 1
1553 1 68 ARG HA 1 68 ARG HG2 . . 4.240 3.655 2.550 4.235 . 0 0 "[ . 1 . 2]" 1
1554 1 68 ARG HA 1 68 ARG QG . . 3.700 3.234 2.425 3.459 . 0 0 "[ . 1 . 2]" 1
1555 1 68 ARG HA 1 68 ARG HG3 . . 4.240 3.802 3.036 4.244 0.004 11 0 "[ . 1 . 2]" 1
1556 1 68 ARG QB 1 68 ARG QD . . 3.110 2.372 2.037 2.832 . 0 0 "[ . 1 . 2]" 1
1557 1 68 ARG QD 1 69 PHE HA . . 4.320 3.643 2.556 4.398 0.078 2 0 "[ . 1 . 2]" 1
1558 1 68 ARG QD 1 69 PHE QE . . 4.290 2.899 2.135 4.276 . 0 0 "[ . 1 . 2]" 1
1559 1 68 ARG HD2 1 69 PHE QE . . 4.960 3.329 2.434 4.722 . 0 0 "[ . 1 . 2]" 1
1560 1 68 ARG HD2 1 69 PHE HZ . . 5.500 4.331 2.920 5.416 . 0 0 "[ . 1 . 2]" 1
1561 1 68 ARG HD3 1 69 PHE QE . . 4.960 3.485 2.175 4.921 . 0 0 "[ . 1 . 2]" 1
1562 1 68 ARG HD3 1 69 PHE HZ . . 5.500 4.371 2.540 5.532 0.032 16 0 "[ . 1 . 2]" 1
1563 1 68 ARG QG 1 69 PHE H . . 4.310 3.400 2.309 4.335 0.025 15 0 "[ . 1 . 2]" 1
1564 1 68 ARG QG 1 69 PHE QD . . 4.340 3.354 2.402 4.201 . 0 0 "[ . 1 . 2]" 1
1565 1 68 ARG QG 1 69 PHE QE . . 4.490 3.480 2.441 4.387 . 0 0 "[ . 1 . 2]" 1
1566 1 68 ARG HG2 1 69 PHE QD . . 4.960 4.013 3.111 4.707 . 0 0 "[ . 1 . 2]" 1
1567 1 68 ARG HG2 1 69 PHE QE . . 5.110 3.986 2.930 5.137 0.027 18 0 "[ . 1 . 2]" 1
1568 1 68 ARG HG3 1 69 PHE QD . . 4.960 4.032 2.419 5.029 0.069 15 0 "[ . 1 . 2]" 1
1569 1 68 ARG HG3 1 69 PHE QE . . 5.110 3.985 2.507 5.118 0.008 10 0 "[ . 1 . 2]" 1
1570 1 69 PHE H 1 69 PHE HB2 . . 3.870 2.540 2.416 2.712 . 0 0 "[ . 1 . 2]" 1
1571 1 69 PHE H 1 69 PHE QB . . 3.310 2.496 2.383 2.641 . 0 0 "[ . 1 . 2]" 1
1572 1 69 PHE H 1 69 PHE HB3 . . 3.870 3.674 3.615 3.784 . 0 0 "[ . 1 . 2]" 1
1573 1 69 PHE H 1 69 PHE QD . . 3.800 2.942 2.160 3.656 . 0 0 "[ . 1 . 2]" 1
1574 1 69 PHE H 1 70 CYS H . . 3.300 2.330 2.020 2.759 . 0 0 "[ . 1 . 2]" 1
1575 1 69 PHE H 1 71 LYS H . . 4.640 3.153 2.689 3.433 . 0 0 "[ . 1 . 2]" 1
1576 1 69 PHE HA 1 69 PHE QD . . 3.560 2.587 2.085 3.117 . 0 0 "[ . 1 . 2]" 1
1577 1 69 PHE HA 1 69 PHE QE . . 4.810 4.536 4.302 4.714 . 0 0 "[ . 1 . 2]" 1
1578 1 69 PHE QB 1 70 CYS H . . 3.270 2.326 1.966 2.595 . 0 0 "[ . 1 . 2]" 1
1579 1 69 PHE QB 1 71 LYS H . . 4.670 4.253 3.922 4.474 . 0 0 "[ . 1 . 2]" 1
1580 1 69 PHE QB 1 84 ILE MG . . 5.340 4.648 3.439 5.370 0.030 15 0 "[ . 1 . 2]" 1
1581 1 69 PHE QB 1 88 HIS HD2 . . 4.990 3.266 2.666 4.101 . 0 0 "[ . 1 . 2]" 1
1582 1 69 PHE HB2 1 70 CYS H . . 3.820 2.369 1.983 2.668 . 0 0 "[ . 1 . 2]" 1
1583 1 69 PHE HB2 1 88 HIS HE1 . . 4.840 3.293 2.757 4.127 . 0 0 "[ . 1 . 2]" 1
1584 1 69 PHE HB3 1 70 CYS H . . 3.820 3.435 3.152 3.721 . 0 0 "[ . 1 . 2]" 1
1585 1 69 PHE HB3 1 88 HIS HE1 . . 4.840 3.077 2.730 3.742 . 0 0 "[ . 1 . 2]" 1
1586 1 69 PHE QD 1 70 CYS H . . 4.350 3.988 3.539 4.337 . 0 0 "[ . 1 . 2]" 1
1587 1 69 PHE QD 1 84 ILE HA . . 5.500 4.548 4.131 5.275 . 0 0 "[ . 1 . 2]" 1
1588 1 69 PHE QD 1 84 ILE MD . . 4.190 3.508 2.481 4.208 0.018 18 0 "[ . 1 . 2]" 1
1589 1 69 PHE QD 1 84 ILE HG12 . . 3.920 2.816 2.053 3.484 . 0 0 "[ . 1 . 2]" 1
1590 1 69 PHE QD 1 84 ILE HG13 . . 5.160 4.343 3.565 4.999 . 0 0 "[ . 1 . 2]" 1
1591 1 69 PHE QD 1 84 ILE MG . . 3.820 3.426 2.614 3.835 0.015 10 0 "[ . 1 . 2]" 1
1592 1 69 PHE QD 1 88 HIS HB2 . . 4.870 3.790 3.063 4.497 . 0 0 "[ . 1 . 2]" 1
1593 1 69 PHE QD 1 88 HIS HB3 . . 4.970 3.616 2.725 4.114 . 0 0 "[ . 1 . 2]" 1
1594 1 69 PHE QD 1 88 HIS HD2 . . 3.980 2.981 2.309 3.889 . 0 0 "[ . 1 . 2]" 1
1595 1 69 PHE QE 1 84 ILE MD . . 3.950 2.868 2.336 3.538 . 0 0 "[ . 1 . 2]" 1
1596 1 69 PHE QE 1 84 ILE HG12 . . 4.890 3.201 2.632 3.838 . 0 0 "[ . 1 . 2]" 1
1597 1 69 PHE QE 1 84 ILE HG13 . . 5.500 4.774 4.272 5.437 . 0 0 "[ . 1 . 2]" 1
1598 1 69 PHE QE 1 84 ILE MG . . 3.560 2.557 2.011 3.293 . 0 0 "[ . 1 . 2]" 1
1599 1 69 PHE QE 1 88 HIS HB2 . . 5.130 3.958 2.952 4.862 . 0 0 "[ . 1 . 2]" 1
1600 1 69 PHE QE 1 88 HIS HB3 . . 5.160 3.881 2.892 4.400 . 0 0 "[ . 1 . 2]" 1
1601 1 69 PHE QE 1 88 HIS HD2 . . 5.080 4.405 3.793 5.048 . 0 0 "[ . 1 . 2]" 1
1602 1 69 PHE HZ 1 84 ILE MD . . 5.030 4.678 3.860 5.058 0.028 11 0 "[ . 1 . 2]" 1
1603 1 69 PHE HZ 1 84 ILE MG . . 4.900 3.868 3.327 4.700 . 0 0 "[ . 1 . 2]" 1
1604 1 69 PHE HZ 1 88 HIS HB3 . . 5.500 4.842 4.114 5.429 . 0 0 "[ . 1 . 2]" 1
1605 1 70 CYS H 1 70 CYS HB2 . . 4.030 3.728 3.635 3.815 . 0 0 "[ . 1 . 2]" 1
1606 1 70 CYS H 1 70 CYS HB3 . . 4.030 3.054 2.621 3.322 . 0 0 "[ . 1 . 2]" 1
1607 1 70 CYS H 1 71 LYS HA . . 4.620 4.351 4.132 4.601 . 0 0 "[ . 1 . 2]" 1
1608 1 70 CYS H 1 72 LYS H . . 4.150 3.529 3.112 4.063 . 0 0 "[ . 1 . 2]" 1
1609 1 70 CYS H 1 88 HIS HE1 . . 4.570 3.975 3.117 4.504 . 0 0 "[ . 1 . 2]" 1
1610 1 70 CYS HA 1 71 LYS HA . . 5.500 5.032 4.953 5.207 . 0 0 "[ . 1 . 2]" 1
1611 1 70 CYS HA 1 71 LYS QG . . 5.140 4.351 3.662 5.163 0.023 19 0 "[ . 1 . 2]" 1
1612 1 70 CYS HA 1 72 LYS H . . 5.030 4.712 4.390 4.987 . 0 0 "[ . 1 . 2]" 1
1613 1 70 CYS HA 1 72 LYS HB2 . . 5.500 5.197 4.703 5.580 0.080 11 0 "[ . 1 . 2]" 1
1614 1 70 CYS HA 1 88 HIS HE1 . . 4.600 4.327 3.678 4.616 0.016 6 0 "[ . 1 . 2]" 1
1615 1 70 CYS QB 1 72 LYS H . . 4.680 4.120 3.746 4.488 . 0 0 "[ . 1 . 2]" 1
1616 1 70 CYS QB 1 88 HIS HE1 . . 3.350 2.496 2.156 2.924 . 0 0 "[ . 1 . 2]" 1
1617 1 70 CYS HB2 1 71 LYS H . . 4.530 4.400 4.210 4.462 . 0 0 "[ . 1 . 2]" 1
1618 1 70 CYS HB3 1 71 LYS H . . 4.530 4.525 4.172 4.598 0.068 5 0 "[ . 1 . 2]" 1
1619 1 71 LYS H 1 71 LYS HB2 . . 4.190 3.342 3.076 3.867 . 0 0 "[ . 1 . 2]" 1
1620 1 71 LYS H 1 71 LYS HB3 . . 4.190 3.925 2.806 4.087 . 0 0 "[ . 1 . 2]" 1
1621 1 71 LYS H 1 71 LYS HD2 . . 5.120 4.102 1.970 5.141 0.021 12 0 "[ . 1 . 2]" 1
1622 1 71 LYS H 1 71 LYS HD3 . . 5.120 4.027 2.775 5.042 . 0 0 "[ . 1 . 2]" 1
1623 1 71 LYS H 1 71 LYS QE . . 5.340 4.273 2.785 5.382 0.042 17 0 "[ . 1 . 2]" 1
1624 1 71 LYS H 1 71 LYS HG2 . . 4.740 3.091 2.342 4.325 . 0 0 "[ . 1 . 2]" 1
1625 1 71 LYS H 1 71 LYS QG . . 4.020 2.753 2.324 3.725 . 0 0 "[ . 1 . 2]" 1
1626 1 71 LYS H 1 71 LYS HG3 . . 4.740 3.840 2.829 4.748 0.008 10 0 "[ . 1 . 2]" 1
1627 1 71 LYS H 1 72 LYS H . . 3.990 2.989 2.578 3.143 . 0 0 "[ . 1 . 2]" 1
1628 1 71 LYS HA 1 71 LYS QD . . 3.910 2.822 1.985 3.955 0.045 14 0 "[ . 1 . 2]" 1
1629 1 71 LYS HA 1 71 LYS HG2 . . 4.010 2.938 2.452 3.648 . 0 0 "[ . 1 . 2]" 1
1630 1 71 LYS HA 1 71 LYS QG . . 3.480 2.601 2.242 3.400 . 0 0 "[ . 1 . 2]" 1
1631 1 71 LYS HA 1 71 LYS HG3 . . 4.010 3.397 2.267 4.189 0.179 10 0 "[ . 1 . 2]" 1
1632 1 71 LYS QB 1 71 LYS QD . . 3.210 2.186 2.013 2.526 . 0 0 "[ . 1 . 2]" 1
1633 1 71 LYS QB 1 72 LYS HA . . 5.340 4.301 4.242 4.782 . 0 0 "[ . 1 . 2]" 1
1634 1 72 LYS H 1 72 LYS HB2 . . 3.810 2.534 2.228 2.720 . 0 0 "[ . 1 . 2]" 1
1635 1 72 LYS H 1 72 LYS HB3 . . 3.700 2.938 2.549 3.591 . 0 0 "[ . 1 . 2]" 1
1636 1 72 LYS H 1 72 LYS QD . . 4.720 4.486 4.009 4.758 0.038 7 0 "[ . 1 . 2]" 1
1637 1 72 LYS H 1 72 LYS HG2 . . 4.640 4.482 3.890 4.700 0.060 6 0 "[ . 1 . 2]" 1
1638 1 72 LYS H 1 72 LYS QG . . 4.070 3.819 2.875 4.083 0.013 7 0 "[ . 1 . 2]" 1
1639 1 72 LYS H 1 72 LYS HG3 . . 4.640 4.178 2.961 4.561 . 0 0 "[ . 1 . 2]" 1
1640 1 72 LYS H 1 74 TYR QD . . 5.190 4.968 4.734 5.291 0.101 18 0 "[ . 1 . 2]" 1
1641 1 72 LYS H 1 74 TYR QE . . 4.920 4.492 4.108 4.684 . 0 0 "[ . 1 . 2]" 1
1642 1 72 LYS HA 1 72 LYS QE . . 4.610 4.057 3.437 4.630 0.020 2 0 "[ . 1 . 2]" 1
1643 1 72 LYS HA 1 72 LYS HG2 . . 3.740 2.947 2.262 3.737 . 0 0 "[ . 1 . 2]" 1
1644 1 72 LYS HA 1 72 LYS QG . . 2.940 2.307 2.204 2.560 . 0 0 "[ . 1 . 2]" 1
1645 1 72 LYS HA 1 72 LYS HG3 . . 3.740 2.552 2.269 3.045 . 0 0 "[ . 1 . 2]" 1
1646 1 72 LYS HA 1 73 LYS H . . 2.900 2.192 2.140 2.550 . 0 0 "[ . 1 . 2]" 1
1647 1 72 LYS HA 1 73 LYS QB . . 4.540 4.191 3.903 4.397 . 0 0 "[ . 1 . 2]" 1
1648 1 72 LYS HA 1 73 LYS QG . . 5.340 4.516 3.845 5.510 0.170 6 0 "[ . 1 . 2]" 1
1649 1 72 LYS HA 1 74 TYR QE . . 4.970 4.632 4.412 4.824 . 0 0 "[ . 1 . 2]" 1
1650 1 72 LYS HB2 1 74 TYR QD . . 5.150 4.713 3.806 5.291 0.141 18 0 "[ . 1 . 2]" 1
1651 1 72 LYS HB2 1 74 TYR QE . . 3.640 3.274 2.440 3.661 0.021 3 0 "[ . 1 . 2]" 1
1652 1 72 LYS HB3 1 72 LYS HD2 . . 3.940 2.938 2.362 3.670 . 0 0 "[ . 1 . 2]" 1
1653 1 72 LYS HB3 1 72 LYS QD . . 3.420 2.531 2.181 3.246 . 0 0 "[ . 1 . 2]" 1
1654 1 72 LYS HB3 1 72 LYS HD3 . . 3.940 3.073 2.214 3.743 . 0 0 "[ . 1 . 2]" 1
1655 1 72 LYS HB3 1 73 LYS H . . 4.070 3.786 2.142 4.192 0.122 6 0 "[ . 1 . 2]" 1
1656 1 72 LYS HB3 1 74 TYR QD . . 4.670 3.300 2.955 3.636 . 0 0 "[ . 1 . 2]" 1
1657 1 72 LYS HB3 1 74 TYR QE . . 3.650 2.035 1.962 2.258 . 0 0 "[ . 1 . 2]" 1
1658 1 72 LYS QD 1 83 HIS HE1 . . 3.970 3.436 2.892 4.047 0.077 16 0 "[ . 1 . 2]" 1
1659 1 72 LYS QD 1 87 ALA MB . . 5.340 5.297 4.954 5.400 0.060 16 0 "[ . 1 . 2]" 1
1660 1 72 LYS HD2 1 74 TYR QE . . 4.620 3.419 2.097 4.636 0.016 17 0 "[ . 1 . 2]" 1
1661 1 72 LYS HD3 1 74 TYR QE . . 4.620 3.244 2.079 4.207 . 0 0 "[ . 1 . 2]" 1
1662 1 72 LYS QE 1 72 LYS QG . . 3.200 2.231 2.049 2.651 . 0 0 "[ . 1 . 2]" 1
1663 1 72 LYS QE 1 74 TYR QE . . 4.910 4.338 3.374 5.002 0.092 11 0 "[ . 1 . 2]" 1
1664 1 72 LYS QG 1 73 LYS H . . 3.980 3.020 1.851 3.877 . 0 0 "[ . 1 . 2]" 1
1665 1 72 LYS QG 1 74 TYR QE . . 4.160 2.954 1.941 4.164 0.004 20 0 "[ . 1 . 2]" 1
1666 1 72 LYS HG2 1 74 TYR QE . . 4.910 3.103 1.975 4.621 . 0 0 "[ . 1 . 2]" 1
1667 1 72 LYS HG3 1 74 TYR QE . . 4.910 4.050 2.758 4.731 . 0 0 "[ . 1 . 2]" 1
1668 1 73 LYS H 1 73 LYS HB2 . . 3.760 2.540 2.149 3.647 . 0 0 "[ . 1 . 2]" 1
1669 1 73 LYS H 1 73 LYS HB3 . . 3.760 3.254 2.139 3.572 . 0 0 "[ . 1 . 2]" 1
1670 1 73 LYS H 1 73 LYS QD . . 4.640 3.740 1.836 4.709 0.069 12 0 "[ . 1 . 2]" 1
1671 1 73 LYS H 1 73 LYS HG2 . . 4.690 3.824 1.971 4.628 . 0 0 "[ . 1 . 2]" 1
1672 1 73 LYS H 1 73 LYS QG . . 4.110 3.036 1.960 4.095 . 0 0 "[ . 1 . 2]" 1
1673 1 73 LYS H 1 73 LYS HG3 . . 4.690 3.446 2.619 4.601 . 0 0 "[ . 1 . 2]" 1
1674 1 73 LYS H 1 74 TYR QD . . 5.180 4.293 3.349 4.749 . 0 0 "[ . 1 . 2]" 1
1675 1 73 LYS H 1 74 TYR QE . . 5.250 4.879 3.782 5.308 0.058 15 0 "[ . 1 . 2]" 1
1676 1 73 LYS HA 1 73 LYS QD . . 4.380 3.772 2.241 4.421 0.041 15 0 "[ . 1 . 2]" 1
1677 1 73 LYS HA 1 73 LYS HG2 . . 4.130 2.925 2.383 3.813 . 0 0 "[ . 1 . 2]" 1
1678 1 73 LYS HA 1 73 LYS HG3 . . 4.130 2.896 2.246 4.151 0.021 18 0 "[ . 1 . 2]" 1
1679 1 73 LYS HA 1 74 TYR H . . 3.000 2.232 2.150 2.315 . 0 0 "[ . 1 . 2]" 1
1680 1 73 LYS HA 1 74 TYR QD . . 4.170 3.401 2.946 3.896 . 0 0 "[ . 1 . 2]" 1
1681 1 73 LYS HA 1 80 LEU QD . . 4.930 4.291 3.425 4.868 . 0 0 "[ . 1 . 2]" 1
1682 1 73 LYS QB 1 73 LYS QE . . 4.030 2.674 1.942 3.679 . 0 0 "[ . 1 . 2]" 1
1683 1 73 LYS QB 1 74 TYR H . . 4.060 2.989 2.723 3.665 . 0 0 "[ . 1 . 2]" 1
1684 1 73 LYS QB 1 74 TYR QD . . 5.340 4.622 4.344 5.217 . 0 0 "[ . 1 . 2]" 1
1685 1 73 LYS HB2 1 73 LYS QE . . 4.600 3.171 1.972 4.262 . 0 0 "[ . 1 . 2]" 1
1686 1 73 LYS HB2 1 74 TYR H . . 4.910 3.963 2.860 4.433 . 0 0 "[ . 1 . 2]" 1
1687 1 73 LYS HB3 1 73 LYS QE . . 4.600 3.211 1.967 4.249 . 0 0 "[ . 1 . 2]" 1
1688 1 73 LYS HB3 1 74 TYR H . . 4.910 3.275 2.772 4.396 . 0 0 "[ . 1 . 2]" 1
1689 1 73 LYS QE 1 73 LYS HG2 . . 3.860 2.658 2.144 3.422 . 0 0 "[ . 1 . 2]" 1
1690 1 73 LYS QE 1 73 LYS HG3 . . 3.860 2.867 2.250 3.473 . 0 0 "[ . 1 . 2]" 1
1691 1 73 LYS QE 1 74 TYR H . . 5.500 5.103 3.467 5.542 0.042 7 0 "[ . 1 . 2]" 1
1692 1 73 LYS QG 1 74 TYR H . . 3.920 3.531 2.260 3.985 0.065 11 0 "[ . 1 . 2]" 1
1693 1 73 LYS HG2 1 74 TYR H . . 4.650 3.952 2.278 4.769 0.119 15 0 "[ . 1 . 2]" 1
1694 1 73 LYS HG3 1 74 TYR H . . 4.650 4.264 2.680 4.708 0.058 16 0 "[ . 1 . 2]" 1
1695 1 74 TYR H 1 74 TYR HB2 . . 3.880 2.619 2.485 2.824 . 0 0 "[ . 1 . 2]" 1
1696 1 74 TYR H 1 74 TYR HB3 . . 3.880 3.718 3.658 3.830 . 0 0 "[ . 1 . 2]" 1
1697 1 74 TYR H 1 74 TYR QD . . 3.580 3.185 2.664 3.526 . 0 0 "[ . 1 . 2]" 1
1698 1 74 TYR H 1 74 TYR QE . . 5.500 5.380 4.968 5.588 0.088 17 0 "[ . 1 . 2]" 1
1699 1 74 TYR H 1 80 LEU QD . . 5.040 3.938 3.121 4.584 . 0 0 "[ . 1 . 2]" 1
1700 1 74 TYR HA 1 74 TYR QD . . 3.550 3.038 2.906 3.099 . 0 0 "[ . 1 . 2]" 1
1701 1 74 TYR HA 1 74 TYR QE . . 4.630 4.558 4.511 4.619 . 0 0 "[ . 1 . 2]" 1
1702 1 74 TYR QB 1 77 VAL HA . . 5.340 3.749 3.273 4.571 . 0 0 "[ . 1 . 2]" 1
1703 1 74 TYR QB 1 79 ASN QB . . 4.350 3.322 2.689 4.087 . 0 0 "[ . 1 . 2]" 1
1704 1 74 TYR QB 1 80 LEU H . . 4.180 3.204 2.790 3.941 . 0 0 "[ . 1 . 2]" 1
1705 1 74 TYR QB 1 80 LEU HB2 . . 3.730 2.319 1.951 2.582 . 0 0 "[ . 1 . 2]" 1
1706 1 74 TYR QB 1 80 LEU HB3 . . 3.990 3.768 3.513 4.049 0.059 12 0 "[ . 1 . 2]" 1
1707 1 74 TYR QB 1 80 LEU QD . . 3.450 2.630 2.383 2.875 . 0 0 "[ . 1 . 2]" 1
1708 1 74 TYR HB2 1 80 LEU H . . 4.810 4.058 3.285 4.809 . 0 0 "[ . 1 . 2]" 1
1709 1 74 TYR HB2 1 80 LEU HA . . 4.720 4.087 3.542 4.613 . 0 0 "[ . 1 . 2]" 1
1710 1 74 TYR HB2 1 80 LEU HB2 . . 4.240 2.453 1.967 2.930 . 0 0 "[ . 1 . 2]" 1
1711 1 74 TYR HB2 1 80 LEU HB3 . . 4.660 4.099 3.652 4.577 . 0 0 "[ . 1 . 2]" 1
1712 1 74 TYR HB2 1 80 LEU MD1 . . 4.720 2.875 2.503 3.169 . 0 0 "[ . 1 . 2]" 1
1713 1 74 TYR HB2 1 80 LEU MD2 . . 4.720 3.304 3.001 3.684 . 0 0 "[ . 1 . 2]" 1
1714 1 74 TYR HB3 1 80 LEU H . . 4.810 3.366 2.956 4.196 . 0 0 "[ . 1 . 2]" 1
1715 1 74 TYR HB3 1 80 LEU HA . . 4.720 4.188 3.912 4.470 . 0 0 "[ . 1 . 2]" 1
1716 1 74 TYR HB3 1 80 LEU HB2 . . 4.240 2.979 2.771 3.290 . 0 0 "[ . 1 . 2]" 1
1717 1 74 TYR HB3 1 80 LEU HB3 . . 4.660 4.440 4.231 4.719 0.059 18 0 "[ . 1 . 2]" 1
1718 1 74 TYR HB3 1 80 LEU MD1 . . 4.720 3.931 3.509 4.351 . 0 0 "[ . 1 . 2]" 1
1719 1 74 TYR HB3 1 80 LEU MD2 . . 4.720 4.426 3.916 4.768 0.048 18 0 "[ . 1 . 2]" 1
1720 1 74 TYR QD 1 79 ASN H . . 5.500 4.817 4.441 5.263 . 0 0 "[ . 1 . 2]" 1
1721 1 74 TYR QD 1 79 ASN HB2 . . 3.660 2.492 1.996 3.374 . 0 0 "[ . 1 . 2]" 1
1722 1 74 TYR QD 1 79 ASN HB3 . . 3.660 3.081 2.505 3.734 0.074 11 0 "[ . 1 . 2]" 1
1723 1 74 TYR QD 1 80 LEU H . . 4.690 3.412 3.013 3.818 . 0 0 "[ . 1 . 2]" 1
1724 1 74 TYR QD 1 80 LEU HA . . 3.990 3.441 2.905 3.590 . 0 0 "[ . 1 . 2]" 1
1725 1 74 TYR QD 1 80 LEU HB2 . . 4.120 3.397 3.241 3.628 . 0 0 "[ . 1 . 2]" 1
1726 1 74 TYR QD 1 80 LEU HB3 . . 4.780 4.754 4.598 4.816 0.036 6 0 "[ . 1 . 2]" 1
1727 1 74 TYR QD 1 80 LEU MD1 . . 4.580 2.391 2.005 3.086 . 0 0 "[ . 1 . 2]" 1
1728 1 74 TYR QD 1 80 LEU QD . . 3.250 2.369 1.997 3.035 . 0 0 "[ . 1 . 2]" 1
1729 1 74 TYR QD 1 80 LEU MD2 . . 4.580 3.960 3.614 4.497 . 0 0 "[ . 1 . 2]" 1
1730 1 74 TYR QE 1 79 ASN HB2 . . 4.690 3.890 3.019 4.614 . 0 0 "[ . 1 . 2]" 1
1731 1 74 TYR QE 1 79 ASN QB . . 3.880 3.134 2.598 3.905 0.025 18 0 "[ . 1 . 2]" 1
1732 1 74 TYR QE 1 79 ASN HB3 . . 4.690 3.404 2.638 4.642 . 0 0 "[ . 1 . 2]" 1
1733 1 74 TYR QE 1 80 LEU HA . . 4.010 3.624 3.235 3.859 . 0 0 "[ . 1 . 2]" 1
1734 1 74 TYR QE 1 80 LEU QD . . 3.720 3.029 2.764 3.497 . 0 0 "[ . 1 . 2]" 1
1735 1 74 TYR QE 1 83 HIS H . . 5.360 4.777 3.935 5.297 . 0 0 "[ . 1 . 2]" 1
1736 1 74 TYR QE 1 83 HIS HA . . 5.160 4.937 4.222 5.171 0.011 6 0 "[ . 1 . 2]" 1
1737 1 74 TYR QE 1 83 HIS HB2 . . 4.440 2.969 2.035 3.398 . 0 0 "[ . 1 . 2]" 1
1738 1 74 TYR QE 1 83 HIS HB3 . . 4.270 3.657 2.940 3.902 . 0 0 "[ . 1 . 2]" 1
1739 1 74 TYR QE 1 83 HIS HD2 . . 4.250 3.833 3.441 4.274 0.024 11 0 "[ . 1 . 2]" 1
1740 1 76 ASP H 1 76 ASP QB . . 3.360 2.576 2.258 2.989 . 0 0 "[ . 1 . 2]" 1
1741 1 76 ASP HA 1 77 VAL HA . . 5.000 4.361 4.309 4.442 . 0 0 "[ . 1 . 2]" 1
1742 1 76 ASP HA 1 77 VAL HB . . 4.760 4.578 4.465 4.705 . 0 0 "[ . 1 . 2]" 1
1743 1 76 ASP HA 1 77 VAL MG1 . . 4.890 3.786 3.506 4.042 . 0 0 "[ . 1 . 2]" 1
1744 1 76 ASP HA 1 78 LYS H . . 4.450 4.053 3.623 4.473 0.023 15 0 "[ . 1 . 2]" 1
1745 1 76 ASP QB 1 78 LYS H . . 4.080 3.031 2.627 3.678 . 0 0 "[ . 1 . 2]" 1
1746 1 76 ASP HB2 1 78 LYS H . . 4.740 4.188 3.530 4.813 0.073 12 0 "[ . 1 . 2]" 1
1747 1 76 ASP HB2 1 79 ASN H . . 4.030 3.331 2.813 4.127 0.097 7 0 "[ . 1 . 2]" 1
1748 1 76 ASP HB2 1 79 ASN HD21 . . 4.940 2.811 1.889 4.782 . 0 0 "[ . 1 . 2]" 1
1749 1 76 ASP HB2 1 79 ASN HD22 . . 4.940 2.946 2.197 4.403 . 0 0 "[ . 1 . 2]" 1
1750 1 76 ASP HB3 1 78 LYS H . . 4.740 3.130 2.656 3.817 . 0 0 "[ . 1 . 2]" 1
1751 1 76 ASP HB3 1 79 ASN H . . 4.030 3.495 2.367 4.019 . 0 0 "[ . 1 . 2]" 1
1752 1 76 ASP HB3 1 79 ASN HD21 . . 4.940 3.887 2.190 4.956 0.016 11 0 "[ . 1 . 2]" 1
1753 1 76 ASP HB3 1 79 ASN HD22 . . 4.940 4.023 2.994 4.867 . 0 0 "[ . 1 . 2]" 1
1754 1 77 VAL H 1 77 VAL MG1 . . 4.690 2.097 1.890 2.399 . 0 0 "[ . 1 . 2]" 1
1755 1 77 VAL H 1 77 VAL MG2 . . 4.550 3.764 3.731 3.787 . 0 0 "[ . 1 . 2]" 1
1756 1 77 VAL H 1 78 LYS H . . 4.310 2.755 2.456 3.010 . 0 0 "[ . 1 . 2]" 1
1757 1 77 VAL HA 1 77 VAL MG2 . . 3.350 2.338 2.236 2.431 . 0 0 "[ . 1 . 2]" 1
1758 1 77 VAL HA 1 79 ASN H . . 4.730 4.409 4.083 4.725 . 0 0 "[ . 1 . 2]" 1
1759 1 77 VAL HA 1 80 LEU H . . 3.830 3.299 3.103 3.484 . 0 0 "[ . 1 . 2]" 1
1760 1 77 VAL HA 1 80 LEU HA . . 5.150 5.033 4.909 5.140 . 0 0 "[ . 1 . 2]" 1
1761 1 77 VAL HA 1 80 LEU HB2 . . 3.560 3.034 2.890 3.180 . 0 0 "[ . 1 . 2]" 1
1762 1 77 VAL HA 1 80 LEU HB3 . . 3.440 2.505 2.217 2.705 . 0 0 "[ . 1 . 2]" 1
1763 1 77 VAL HA 1 80 LEU MD1 . . 4.870 4.707 4.607 4.807 . 0 0 "[ . 1 . 2]" 1
1764 1 77 VAL HA 1 80 LEU QD . . 3.830 2.970 2.697 3.210 . 0 0 "[ . 1 . 2]" 1
1765 1 77 VAL HA 1 80 LEU MD2 . . 4.870 3.003 2.714 3.266 . 0 0 "[ . 1 . 2]" 1
1766 1 77 VAL HA 1 80 LEU HG . . 5.130 4.787 4.360 5.056 . 0 0 "[ . 1 . 2]" 1
1767 1 77 VAL HA 1 81 ILE H . . 4.380 4.215 3.990 4.435 0.055 7 0 "[ . 1 . 2]" 1
1768 1 77 VAL HA 1 81 ILE MD . . 4.810 4.594 4.184 4.816 0.006 11 0 "[ . 1 . 2]" 1
1769 1 77 VAL HB 1 78 LYS H . . 4.010 3.881 3.758 4.013 0.003 4 0 "[ . 1 . 2]" 1
1770 1 77 VAL MG1 1 78 LYS H . . 3.610 1.926 1.743 2.188 . 0 0 "[ . 1 . 2]" 1
1771 1 77 VAL MG1 1 78 LYS HA . . 3.800 3.053 2.955 3.172 . 0 0 "[ . 1 . 2]" 1
1772 1 77 VAL MG1 1 78 LYS QB . . 3.990 3.612 3.231 3.819 . 0 0 "[ . 1 . 2]" 1
1773 1 77 VAL MG1 1 78 LYS QG . . 4.180 2.847 2.470 3.883 . 0 0 "[ . 1 . 2]" 1
1774 1 77 VAL MG1 1 79 ASN H . . 5.060 4.443 4.295 4.639 . 0 0 "[ . 1 . 2]" 1
1775 1 77 VAL MG1 1 81 ILE HG12 . . 4.020 3.907 3.601 4.063 0.043 12 0 "[ . 1 . 2]" 1
1776 1 77 VAL MG1 1 81 ILE HG13 . . 4.520 4.253 3.850 4.538 0.018 7 0 "[ . 1 . 2]" 1
1777 1 77 VAL MG2 1 78 LYS H . . 4.340 3.538 3.152 3.795 . 0 0 "[ . 1 . 2]" 1
1778 1 77 VAL MG2 1 78 LYS HA . . 4.010 3.686 3.326 3.882 . 0 0 "[ . 1 . 2]" 1
1779 1 77 VAL MG2 1 81 ILE H . . 4.370 3.539 3.119 4.054 . 0 0 "[ . 1 . 2]" 1
1780 1 77 VAL MG2 1 81 ILE HA . . 5.360 4.587 4.311 5.123 . 0 0 "[ . 1 . 2]" 1
1781 1 77 VAL MG2 1 81 ILE MD . . 3.680 2.351 2.078 2.575 . 0 0 "[ . 1 . 2]" 1
1782 1 77 VAL MG2 1 81 ILE HG12 . . 3.760 2.541 2.198 3.087 . 0 0 "[ . 1 . 2]" 1
1783 1 77 VAL MG2 1 81 ILE HG13 . . 3.890 3.328 2.907 3.831 . 0 0 "[ . 1 . 2]" 1
1784 1 78 LYS H 1 78 LYS HB2 . . 3.650 2.531 2.309 3.604 . 0 0 "[ . 1 . 2]" 1
1785 1 78 LYS H 1 78 LYS QB . . 2.960 2.380 2.281 2.636 . 0 0 "[ . 1 . 2]" 1
1786 1 78 LYS H 1 78 LYS HB3 . . 3.650 3.474 2.341 3.618 . 0 0 "[ . 1 . 2]" 1
1787 1 78 LYS H 1 78 LYS HG2 . . 4.130 2.970 1.952 3.947 . 0 0 "[ . 1 . 2]" 1
1788 1 78 LYS H 1 78 LYS QG . . 3.420 2.437 1.935 2.747 . 0 0 "[ . 1 . 2]" 1
1789 1 78 LYS H 1 78 LYS HG3 . . 4.130 3.119 2.449 3.933 . 0 0 "[ . 1 . 2]" 1
1790 1 78 LYS H 1 79 ASN H . . 3.310 3.067 2.866 3.240 . 0 0 "[ . 1 . 2]" 1
1791 1 78 LYS H 1 79 ASN QB . . 5.310 5.099 4.637 5.429 0.119 11 0 "[ . 1 . 2]" 1
1792 1 78 LYS H 1 80 LEU H . . 4.490 4.435 3.950 4.525 0.035 18 0 "[ . 1 . 2]" 1
1793 1 78 LYS HA 1 78 LYS QE . . 5.500 4.088 2.062 4.994 . 0 0 "[ . 1 . 2]" 1
1794 1 78 LYS HA 1 78 LYS HG2 . . 4.090 2.692 2.224 3.702 . 0 0 "[ . 1 . 2]" 1
1795 1 78 LYS HA 1 78 LYS HG3 . . 4.090 3.304 2.304 3.863 . 0 0 "[ . 1 . 2]" 1
1796 1 78 LYS HA 1 79 ASN HA . . 4.910 4.767 4.730 4.802 . 0 0 "[ . 1 . 2]" 1
1797 1 78 LYS HA 1 81 ILE H . . 3.910 3.865 3.662 3.924 0.014 19 0 "[ . 1 . 2]" 1
1798 1 78 LYS HA 1 81 ILE HB . . 3.720 3.644 3.412 3.740 0.020 7 0 "[ . 1 . 2]" 1
1799 1 78 LYS HA 1 81 ILE MD . . 4.490 4.359 4.189 4.525 0.035 2 0 "[ . 1 . 2]" 1
1800 1 78 LYS HA 1 81 ILE HG12 . . 3.800 3.068 2.813 3.215 . 0 0 "[ . 1 . 2]" 1
1801 1 78 LYS HA 1 81 ILE HG13 . . 4.470 3.201 3.042 3.569 . 0 0 "[ . 1 . 2]" 1
1802 1 78 LYS QB 1 78 LYS QE . . 4.400 2.773 1.985 3.697 . 0 0 "[ . 1 . 2]" 1
1803 1 78 LYS QB 1 79 ASN H . . 3.340 2.470 2.103 3.344 0.004 8 0 "[ . 1 . 2]" 1
1804 1 78 LYS QB 1 79 ASN QB . . 5.180 4.351 4.035 5.197 0.017 8 0 "[ . 1 . 2]" 1
1805 1 78 LYS HB2 1 79 ASN H . . 3.860 2.587 2.131 3.748 . 0 0 "[ . 1 . 2]" 1
1806 1 78 LYS HB3 1 79 ASN H . . 3.860 3.199 2.747 3.876 0.016 13 0 "[ . 1 . 2]" 1
1807 1 78 LYS QE 1 78 LYS QG . . 3.470 2.218 2.040 2.519 . 0 0 "[ . 1 . 2]" 1
1808 1 79 ASN H 1 79 ASN HB2 . . 3.880 2.620 2.255 3.556 . 0 0 "[ . 1 . 2]" 1
1809 1 79 ASN H 1 79 ASN QB . . 3.120 2.520 2.230 2.723 . 0 0 "[ . 1 . 2]" 1
1810 1 79 ASN H 1 79 ASN HB3 . . 3.880 3.531 2.805 3.595 . 0 0 "[ . 1 . 2]" 1
1811 1 79 ASN H 1 80 LEU H . . 3.370 2.755 2.597 2.926 . 0 0 "[ . 1 . 2]" 1
1812 1 79 ASN H 1 80 LEU HB3 . . 5.000 4.817 4.698 4.975 . 0 0 "[ . 1 . 2]" 1
1813 1 79 ASN H 1 81 ILE H . . 4.560 4.232 4.120 4.366 . 0 0 "[ . 1 . 2]" 1
1814 1 79 ASN H 1 82 LYS H . . 5.500 5.224 5.098 5.381 . 0 0 "[ . 1 . 2]" 1
1815 1 79 ASN HA 1 80 LEU HA . . 5.110 4.893 4.829 4.916 . 0 0 "[ . 1 . 2]" 1
1816 1 79 ASN HA 1 81 ILE H . . 4.910 4.206 4.044 4.326 . 0 0 "[ . 1 . 2]" 1
1817 1 79 ASN HA 1 81 ILE HG12 . . 5.500 5.506 5.451 5.572 0.072 12 0 "[ . 1 . 2]" 1
1818 1 79 ASN HA 1 82 LYS H . . 3.760 3.506 3.405 3.655 . 0 0 "[ . 1 . 2]" 1
1819 1 79 ASN HA 1 82 LYS QB . . 3.440 3.146 2.965 3.309 . 0 0 "[ . 1 . 2]" 1
1820 1 79 ASN HA 1 82 LYS QD . . 4.810 4.390 3.592 4.805 . 0 0 "[ . 1 . 2]" 1
1821 1 79 ASN HA 1 83 HIS H . . 4.380 4.166 3.871 4.384 0.004 6 0 "[ . 1 . 2]" 1
1822 1 79 ASN QB 1 80 LEU H . . 3.590 2.427 2.275 3.147 . 0 0 "[ . 1 . 2]" 1
1823 1 79 ASN QB 1 81 ILE H . . 5.340 4.620 4.509 4.860 . 0 0 "[ . 1 . 2]" 1
1824 1 79 ASN QB 1 82 LYS QB . . 4.620 4.297 4.136 4.388 . 0 0 "[ . 1 . 2]" 1
1825 1 79 ASN HB2 1 80 LEU H . . 4.190 2.481 2.299 3.306 . 0 0 "[ . 1 . 2]" 1
1826 1 79 ASN HB2 1 82 LYS QB . . 5.500 5.418 4.452 5.548 0.048 7 0 "[ . 1 . 2]" 1
1827 1 79 ASN HB3 1 80 LEU H . . 4.190 3.554 3.140 3.951 . 0 0 "[ . 1 . 2]" 1
1828 1 79 ASN HB3 1 82 LYS QB . . 5.500 4.525 4.336 4.912 . 0 0 "[ . 1 . 2]" 1
1829 1 80 LEU H 1 80 LEU HB2 . . 3.530 2.471 2.408 2.582 . 0 0 "[ . 1 . 2]" 1
1830 1 80 LEU H 1 80 LEU HB3 . . 3.700 2.566 2.425 2.653 . 0 0 "[ . 1 . 2]" 1
1831 1 80 LEU H 1 80 LEU MD1 . . 5.170 4.012 3.929 4.083 . 0 0 "[ . 1 . 2]" 1
1832 1 80 LEU H 1 80 LEU QD . . 4.260 3.659 3.616 3.701 . 0 0 "[ . 1 . 2]" 1
1833 1 80 LEU H 1 80 LEU MD2 . . 5.170 4.222 4.160 4.258 . 0 0 "[ . 1 . 2]" 1
1834 1 80 LEU H 1 80 LEU HG . . 4.710 4.510 4.434 4.551 . 0 0 "[ . 1 . 2]" 1
1835 1 80 LEU H 1 81 ILE H . . 3.490 2.901 2.712 2.963 . 0 0 "[ . 1 . 2]" 1
1836 1 80 LEU H 1 81 ILE HG12 . . 5.500 4.329 4.100 4.436 . 0 0 "[ . 1 . 2]" 1
1837 1 80 LEU HA 1 80 LEU MD1 . . 4.180 2.182 1.954 2.417 . 0 0 "[ . 1 . 2]" 1
1838 1 80 LEU HA 1 80 LEU QD . . 3.020 2.171 1.949 2.396 . 0 0 "[ . 1 . 2]" 1
1839 1 80 LEU HA 1 80 LEU MD2 . . 4.180 3.905 3.866 3.945 . 0 0 "[ . 1 . 2]" 1
1840 1 80 LEU HA 1 80 LEU HG . . 3.960 3.158 3.086 3.229 . 0 0 "[ . 1 . 2]" 1
1841 1 80 LEU HA 1 81 ILE HA . . 4.910 4.848 4.794 4.897 . 0 0 "[ . 1 . 2]" 1
1842 1 80 LEU HA 1 82 LYS QB . . 5.500 5.304 5.104 5.508 0.008 10 0 "[ . 1 . 2]" 1
1843 1 80 LEU HA 1 83 HIS H . . 3.760 3.545 3.360 3.709 . 0 0 "[ . 1 . 2]" 1
1844 1 80 LEU HA 1 83 HIS HA . . 5.500 5.192 5.023 5.393 . 0 0 "[ . 1 . 2]" 1
1845 1 80 LEU HA 1 83 HIS HB2 . . 3.830 3.543 3.346 3.688 . 0 0 "[ . 1 . 2]" 1
1846 1 80 LEU HA 1 83 HIS HB3 . . 3.670 2.327 2.198 2.499 . 0 0 "[ . 1 . 2]" 1
1847 1 80 LEU HA 1 84 ILE H . . 4.780 4.223 3.977 4.566 . 0 0 "[ . 1 . 2]" 1
1848 1 80 LEU HB2 1 80 LEU MD1 . . 3.470 2.290 2.149 2.400 . 0 0 "[ . 1 . 2]" 1
1849 1 80 LEU HB2 1 80 LEU MD2 . . 3.470 2.414 2.352 2.481 . 0 0 "[ . 1 . 2]" 1
1850 1 80 LEU HB2 1 81 ILE H . . 4.200 3.891 3.833 3.954 . 0 0 "[ . 1 . 2]" 1
1851 1 80 LEU HB3 1 80 LEU MD1 . . 3.600 3.186 3.168 3.196 . 0 0 "[ . 1 . 2]" 1
1852 1 80 LEU HB3 1 80 LEU QD . . 3.020 2.209 2.143 2.295 . 0 0 "[ . 1 . 2]" 1
1853 1 80 LEU HB3 1 80 LEU MD2 . . 3.600 2.253 2.178 2.352 . 0 0 "[ . 1 . 2]" 1
1854 1 80 LEU HB3 1 81 ILE H . . 3.470 2.581 2.488 2.705 . 0 0 "[ . 1 . 2]" 1
1855 1 80 LEU HB3 1 81 ILE HB . . 5.310 5.134 5.090 5.179 . 0 0 "[ . 1 . 2]" 1
1856 1 80 LEU HB3 1 81 ILE MD . . 4.340 3.657 3.351 3.876 . 0 0 "[ . 1 . 2]" 1
1857 1 80 LEU HB3 1 81 ILE HG13 . . 5.310 5.184 5.049 5.280 . 0 0 "[ . 1 . 2]" 1
1858 1 80 LEU HB3 1 81 ILE MG . . 5.500 5.491 5.443 5.551 0.051 12 0 "[ . 1 . 2]" 1
1859 1 80 LEU QD 1 81 ILE H . . 4.410 3.878 3.795 3.995 . 0 0 "[ . 1 . 2]" 1
1860 1 80 LEU QD 1 83 HIS H . . 4.960 4.601 4.370 4.812 . 0 0 "[ . 1 . 2]" 1
1861 1 80 LEU QD 1 83 HIS HB2 . . 4.440 4.169 3.923 4.412 . 0 0 "[ . 1 . 2]" 1
1862 1 80 LEU QD 1 83 HIS HB3 . . 4.240 3.063 2.777 3.408 . 0 0 "[ . 1 . 2]" 1
1863 1 80 LEU QD 1 83 HIS HD2 . . 3.370 2.125 1.922 2.506 . 0 0 "[ . 1 . 2]" 1
1864 1 80 LEU QD 1 84 ILE H . . 4.130 3.955 3.467 4.136 0.006 20 0 "[ . 1 . 2]" 1
1865 1 80 LEU QD 1 84 ILE HB . . 5.160 4.713 4.327 4.993 . 0 0 "[ . 1 . 2]" 1
1866 1 80 LEU QD 1 84 ILE MD . . 2.820 2.646 2.299 2.838 0.018 18 0 "[ . 1 . 2]" 1
1867 1 80 LEU QD 1 84 ILE HG12 . . 4.160 3.795 3.374 4.171 0.011 5 0 "[ . 1 . 2]" 1
1868 1 80 LEU QD 1 84 ILE HG13 . . 3.600 2.925 2.401 3.201 . 0 0 "[ . 1 . 2]" 1
1869 1 80 LEU MD1 1 81 ILE HA . . 4.960 4.790 4.598 4.961 0.001 8 0 "[ . 1 . 2]" 1
1870 1 80 LEU MD1 1 84 ILE MD . . 3.570 2.864 2.487 3.179 . 0 0 "[ . 1 . 2]" 1
1871 1 80 LEU MD2 1 81 ILE HA . . 4.960 4.668 4.394 4.917 . 0 0 "[ . 1 . 2]" 1
1872 1 80 LEU MD2 1 84 ILE MD . . 3.570 3.151 2.578 3.588 0.018 10 0 "[ . 1 . 2]" 1
1873 1 80 LEU HG 1 81 ILE H . . 4.120 3.734 3.581 3.907 . 0 0 "[ . 1 . 2]" 1
1874 1 80 LEU HG 1 81 ILE HA . . 3.970 3.683 3.545 3.804 . 0 0 "[ . 1 . 2]" 1
1875 1 80 LEU HG 1 83 HIS HB3 . . 5.070 4.413 4.128 4.755 . 0 0 "[ . 1 . 2]" 1
1876 1 80 LEU HG 1 83 HIS HD2 . . 4.380 3.874 3.403 4.299 . 0 0 "[ . 1 . 2]" 1
1877 1 80 LEU HG 1 84 ILE MD . . 3.260 2.402 1.969 2.774 . 0 0 "[ . 1 . 2]" 1
1878 1 81 ILE H 1 81 ILE HB . . 3.020 2.629 2.537 2.658 . 0 0 "[ . 1 . 2]" 1
1879 1 81 ILE H 1 81 ILE MD . . 3.790 3.095 2.810 3.284 . 0 0 "[ . 1 . 2]" 1
1880 1 81 ILE H 1 81 ILE HG12 . . 3.270 1.951 1.888 2.098 . 0 0 "[ . 1 . 2]" 1
1881 1 81 ILE H 1 81 ILE HG13 . . 3.570 3.484 3.413 3.619 0.049 2 0 "[ . 1 . 2]" 1
1882 1 81 ILE H 1 81 ILE MG . . 3.850 3.763 3.761 3.768 . 0 0 "[ . 1 . 2]" 1
1883 1 81 ILE H 1 82 LYS H . . 3.400 2.913 2.813 3.068 . 0 0 "[ . 1 . 2]" 1
1884 1 81 ILE H 1 83 HIS H . . 4.680 4.168 3.940 4.350 . 0 0 "[ . 1 . 2]" 1
1885 1 81 ILE H 1 84 ILE H . . 5.260 4.981 4.860 5.138 . 0 0 "[ . 1 . 2]" 1
1886 1 81 ILE H 1 84 ILE MD . . 4.650 4.556 4.110 4.690 0.040 15 0 "[ . 1 . 2]" 1
1887 1 81 ILE HA 1 81 ILE MD . . 3.600 1.984 1.920 2.058 . 0 0 "[ . 1 . 2]" 1
1888 1 81 ILE HA 1 81 ILE HG12 . . 3.450 3.072 2.980 3.218 . 0 0 "[ . 1 . 2]" 1
1889 1 81 ILE HA 1 81 ILE HG13 . . 3.800 3.746 3.694 3.789 . 0 0 "[ . 1 . 2]" 1
1890 1 81 ILE HA 1 81 ILE MG . . 3.110 2.351 2.246 2.445 . 0 0 "[ . 1 . 2]" 1
1891 1 81 ILE HA 1 83 HIS H . . 4.760 4.598 4.186 4.775 0.015 5 0 "[ . 1 . 2]" 1
1892 1 81 ILE HA 1 84 ILE H . . 3.960 3.853 3.657 3.957 . 0 0 "[ . 1 . 2]" 1
1893 1 81 ILE HA 1 84 ILE HB . . 3.880 3.453 3.197 3.798 . 0 0 "[ . 1 . 2]" 1
1894 1 81 ILE HA 1 84 ILE MD . . 3.490 2.840 2.523 3.167 . 0 0 "[ . 1 . 2]" 1
1895 1 81 ILE HA 1 84 ILE HG13 . . 4.630 4.274 3.948 4.577 . 0 0 "[ . 1 . 2]" 1
1896 1 81 ILE HA 1 84 ILE MG . . 5.500 4.685 4.440 5.006 . 0 0 "[ . 1 . 2]" 1
1897 1 81 ILE HA 1 85 ARG H . . 4.840 4.563 4.120 4.838 . 0 0 "[ . 1 . 2]" 1
1898 1 81 ILE HB 1 81 ILE MD . . 3.230 3.221 3.216 3.230 0.000 3 0 "[ . 1 . 2]" 1
1899 1 81 ILE HB 1 82 LYS H . . 2.910 2.268 2.130 2.400 . 0 0 "[ . 1 . 2]" 1
1900 1 81 ILE MD 1 82 LYS H . . 4.710 4.556 4.478 4.628 . 0 0 "[ . 1 . 2]" 1
1901 1 81 ILE MD 1 84 ILE HB . . 4.910 4.609 4.191 4.934 0.024 16 0 "[ . 1 . 2]" 1
1902 1 81 ILE HG12 1 81 ILE MG . . 3.470 3.197 3.188 3.202 . 0 0 "[ . 1 . 2]" 1
1903 1 81 ILE HG12 1 82 LYS H . . 4.180 4.047 3.921 4.136 . 0 0 "[ . 1 . 2]" 1
1904 1 81 ILE HG13 1 81 ILE MG . . 3.250 2.370 2.267 2.472 . 0 0 "[ . 1 . 2]" 1
1905 1 81 ILE HG13 1 82 LYS H . . 4.730 4.630 4.504 4.757 0.027 7 0 "[ . 1 . 2]" 1
1906 1 81 ILE MG 1 82 LYS H . . 3.730 3.232 2.943 3.389 . 0 0 "[ . 1 . 2]" 1
1907 1 81 ILE MG 1 82 LYS HA . . 3.710 3.405 3.144 3.524 . 0 0 "[ . 1 . 2]" 1
1908 1 81 ILE MG 1 82 LYS QB . . 4.750 4.089 3.846 4.323 . 0 0 "[ . 1 . 2]" 1
1909 1 81 ILE MG 1 83 HIS H . . 5.500 5.004 4.738 5.167 . 0 0 "[ . 1 . 2]" 1
1910 1 81 ILE MG 1 84 ILE HB . . 4.360 4.202 3.994 4.376 0.016 19 0 "[ . 1 . 2]" 1
1911 1 81 ILE MG 1 85 ARG H . . 4.560 4.281 3.989 4.519 . 0 0 "[ . 1 . 2]" 1
1912 1 81 ILE MG 1 85 ARG QB . . 5.200 4.263 3.709 4.589 . 0 0 "[ . 1 . 2]" 1
1913 1 81 ILE MG 1 85 ARG QD . . 4.100 3.067 1.772 4.050 . 0 0 "[ . 1 . 2]" 1
1914 1 81 ILE MG 1 85 ARG HG3 . . 3.780 2.968 2.405 3.353 . 0 0 "[ . 1 . 2]" 1
1915 1 82 LYS H 1 82 LYS QB . . 3.090 2.199 2.111 2.245 . 0 0 "[ . 1 . 2]" 1
1916 1 82 LYS H 1 82 LYS QD . . 4.890 4.418 3.807 4.672 . 0 0 "[ . 1 . 2]" 1
1917 1 82 LYS H 1 82 LYS QE . . 5.340 4.571 3.751 5.447 0.107 19 0 "[ . 1 . 2]" 1
1918 1 82 LYS H 1 82 LYS HG2 . . 4.600 4.491 4.303 4.641 0.041 16 0 "[ . 1 . 2]" 1
1919 1 82 LYS H 1 82 LYS QG . . 4.010 3.938 3.810 4.013 0.003 16 0 "[ . 1 . 2]" 1
1920 1 82 LYS H 1 82 LYS HG3 . . 4.600 4.374 4.065 4.604 0.004 6 0 "[ . 1 . 2]" 1
1921 1 82 LYS H 1 83 HIS H . . 3.340 2.729 2.614 2.847 . 0 0 "[ . 1 . 2]" 1
1922 1 82 LYS H 1 83 HIS HB2 . . 5.500 5.502 5.450 5.558 0.058 12 0 "[ . 1 . 2]" 1
1923 1 82 LYS H 1 83 HIS HB3 . . 4.860 4.575 4.474 4.795 . 0 0 "[ . 1 . 2]" 1
1924 1 82 LYS H 1 84 ILE H . . 4.720 4.398 4.204 4.731 0.011 12 0 "[ . 1 . 2]" 1
1925 1 82 LYS HA 1 82 LYS QD . . 4.550 4.013 3.289 4.267 . 0 0 "[ . 1 . 2]" 1
1926 1 82 LYS HA 1 82 LYS QE . . 4.740 3.976 1.923 4.779 0.039 6 0 "[ . 1 . 2]" 1
1927 1 82 LYS HA 1 82 LYS HG2 . . 4.170 3.097 2.762 3.602 . 0 0 "[ . 1 . 2]" 1
1928 1 82 LYS HA 1 82 LYS QG . . 3.510 2.407 2.191 2.669 . 0 0 "[ . 1 . 2]" 1
1929 1 82 LYS HA 1 82 LYS HG3 . . 4.170 2.546 2.251 2.994 . 0 0 "[ . 1 . 2]" 1
1930 1 82 LYS HA 1 84 ILE H . . 5.100 4.372 4.003 4.914 . 0 0 "[ . 1 . 2]" 1
1931 1 82 LYS HA 1 85 ARG H . . 4.010 3.338 3.098 3.663 . 0 0 "[ . 1 . 2]" 1
1932 1 82 LYS HA 1 85 ARG QB . . 3.610 2.693 2.530 2.857 . 0 0 "[ . 1 . 2]" 1
1933 1 82 LYS HA 1 85 ARG QD . . 4.430 3.831 2.399 4.489 0.059 2 0 "[ . 1 . 2]" 1
1934 1 82 LYS HA 1 85 ARG HG2 . . 5.010 4.170 3.140 4.969 . 0 0 "[ . 1 . 2]" 1
1935 1 82 LYS HA 1 85 ARG HG3 . . 3.840 2.988 2.366 3.749 . 0 0 "[ . 1 . 2]" 1
1936 1 82 LYS HA 1 86 ASP H . . 4.660 4.305 4.053 4.605 . 0 0 "[ . 1 . 2]" 1
1937 1 82 LYS QB 1 82 LYS QD . . 3.390 2.162 1.981 2.334 . 0 0 "[ . 1 . 2]" 1
1938 1 82 LYS QB 1 82 LYS QE . . 4.090 2.489 1.957 3.387 . 0 0 "[ . 1 . 2]" 1
1939 1 82 LYS QB 1 83 HIS H . . 3.290 2.523 2.376 2.893 . 0 0 "[ . 1 . 2]" 1
1940 1 82 LYS QB 1 83 HIS HA . . 4.570 3.994 3.792 4.345 . 0 0 "[ . 1 . 2]" 1
1941 1 82 LYS QB 1 83 HIS HB2 . . 4.930 4.603 4.353 4.888 . 0 0 "[ . 1 . 2]" 1
1942 1 82 LYS QG 1 83 HIS H . . 4.590 3.745 3.295 4.174 . 0 0 "[ . 1 . 2]" 1
1943 1 82 LYS QG 1 83 HIS HA . . 4.830 3.921 3.321 4.611 . 0 0 "[ . 1 . 2]" 1
1944 1 83 HIS H 1 83 HIS HB2 . . 3.180 2.872 2.803 2.990 . 0 0 "[ . 1 . 2]" 1
1945 1 83 HIS H 1 83 HIS HB3 . . 3.100 2.251 2.164 2.307 . 0 0 "[ . 1 . 2]" 1
1946 1 83 HIS H 1 83 HIS HD2 . . 4.810 4.709 4.471 4.832 0.022 12 0 "[ . 1 . 2]" 1
1947 1 83 HIS H 1 84 ILE H . . 3.540 2.902 2.673 2.983 . 0 0 "[ . 1 . 2]" 1
1948 1 83 HIS HA 1 85 ARG H . . 5.250 4.630 4.385 4.895 . 0 0 "[ . 1 . 2]" 1
1949 1 83 HIS HA 1 86 ASP H . . 4.200 3.577 3.358 3.750 . 0 0 "[ . 1 . 2]" 1
1950 1 83 HIS HA 1 86 ASP QB . . 3.180 2.612 2.386 3.013 . 0 0 "[ . 1 . 2]" 1
1951 1 83 HIS HA 1 87 ALA H . . 3.880 3.586 3.198 3.868 . 0 0 "[ . 1 . 2]" 1
1952 1 83 HIS HA 1 87 ALA MB . . 4.250 3.998 3.473 4.264 0.014 9 0 "[ . 1 . 2]" 1
1953 1 83 HIS HA 1 88 HIS H . . 5.500 5.363 5.106 5.560 0.060 15 0 "[ . 1 . 2]" 1
1954 1 83 HIS HB2 1 84 ILE H . . 4.120 4.008 3.802 4.131 0.011 5 0 "[ . 1 . 2]" 1
1955 1 83 HIS HB2 1 87 ALA MB . . 5.190 4.836 4.377 5.162 . 0 0 "[ . 1 . 2]" 1
1956 1 83 HIS HB3 1 84 ILE H . . 4.020 2.714 2.393 2.888 . 0 0 "[ . 1 . 2]" 1
1957 1 83 HIS HB3 1 84 ILE HG13 . . 4.910 3.657 3.465 3.904 . 0 0 "[ . 1 . 2]" 1
1958 1 83 HIS HD2 1 84 ILE H . . 4.020 3.179 2.767 3.499 . 0 0 "[ . 1 . 2]" 1
1959 1 83 HIS HD2 1 84 ILE HA . . 3.880 3.609 3.386 3.845 . 0 0 "[ . 1 . 2]" 1
1960 1 83 HIS HD2 1 84 ILE HB . . 4.710 4.581 4.338 4.724 0.014 9 0 "[ . 1 . 2]" 1
1961 1 83 HIS HD2 1 84 ILE MD . . 4.180 3.515 3.295 3.718 . 0 0 "[ . 1 . 2]" 1
1962 1 83 HIS HD2 1 84 ILE HG12 . . 4.530 3.276 3.046 3.713 . 0 0 "[ . 1 . 2]" 1
1963 1 83 HIS HD2 1 84 ILE HG13 . . 3.770 2.189 1.990 2.374 . 0 0 "[ . 1 . 2]" 1
1964 1 83 HIS HD2 1 84 ILE MG . . 5.020 4.719 4.544 4.961 . 0 0 "[ . 1 . 2]" 1
1965 1 83 HIS HD2 1 87 ALA MB . . 5.500 4.792 4.409 5.254 . 0 0 "[ . 1 . 2]" 1
1966 1 83 HIS HD2 1 88 HIS HD2 . . 4.260 3.349 2.979 3.604 . 0 0 "[ . 1 . 2]" 1
1967 1 83 HIS HE1 1 87 ALA MB . . 3.360 2.865 2.453 3.280 . 0 0 "[ . 1 . 2]" 1
1968 1 84 ILE H 1 84 ILE HB . . 3.160 2.448 2.305 2.563 . 0 0 "[ . 1 . 2]" 1
1969 1 84 ILE H 1 84 ILE MD . . 3.750 3.384 3.143 3.611 . 0 0 "[ . 1 . 2]" 1
1970 1 84 ILE H 1 84 ILE HG12 . . 3.990 3.699 3.442 4.007 0.017 5 0 "[ . 1 . 2]" 1
1971 1 84 ILE H 1 84 ILE HG13 . . 3.300 2.306 2.042 2.696 . 0 0 "[ . 1 . 2]" 1
1972 1 84 ILE H 1 84 ILE MG . . 3.830 3.746 3.689 3.766 . 0 0 "[ . 1 . 2]" 1
1973 1 84 ILE H 1 85 ARG H . . 3.430 2.694 2.556 2.914 . 0 0 "[ . 1 . 2]" 1
1974 1 84 ILE H 1 86 ASP H . . 4.610 3.833 3.675 3.976 . 0 0 "[ . 1 . 2]" 1
1975 1 84 ILE H 1 88 HIS HD2 . . 4.600 4.379 4.026 4.613 0.013 5 0 "[ . 1 . 2]" 1
1976 1 84 ILE HA 1 84 ILE MD . . 4.040 3.839 3.791 3.881 . 0 0 "[ . 1 . 2]" 1
1977 1 84 ILE HA 1 84 ILE HG12 . . 3.420 2.643 2.516 2.797 . 0 0 "[ . 1 . 2]" 1
1978 1 84 ILE HA 1 84 ILE HG13 . . 3.420 2.727 2.547 2.871 . 0 0 "[ . 1 . 2]" 1
1979 1 84 ILE HA 1 84 ILE MG . . 3.300 2.457 2.413 2.521 . 0 0 "[ . 1 . 2]" 1
1980 1 84 ILE HA 1 87 ALA H . . 4.310 3.770 3.391 4.070 . 0 0 "[ . 1 . 2]" 1
1981 1 84 ILE HA 1 87 ALA MB . . 4.190 3.591 3.126 3.874 . 0 0 "[ . 1 . 2]" 1
1982 1 84 ILE HA 1 88 HIS H . . 3.800 2.469 2.261 2.626 . 0 0 "[ . 1 . 2]" 1
1983 1 84 ILE HA 1 88 HIS HB2 . . 3.920 2.515 2.150 2.877 . 0 0 "[ . 1 . 2]" 1
1984 1 84 ILE HA 1 88 HIS HB3 . . 4.470 4.190 3.845 4.527 0.057 15 0 "[ . 1 . 2]" 1
1985 1 84 ILE HA 1 88 HIS HD2 . . 3.020 2.195 1.997 2.456 . 0 0 "[ . 1 . 2]" 1
1986 1 84 ILE HB 1 84 ILE MD . . 3.190 2.280 2.128 2.388 . 0 0 "[ . 1 . 2]" 1
1987 1 84 ILE HB 1 85 ARG H . . 3.700 2.560 2.394 2.754 . 0 0 "[ . 1 . 2]" 1
1988 1 84 ILE HB 1 85 ARG HA . . 4.920 4.367 4.196 4.557 . 0 0 "[ . 1 . 2]" 1
1989 1 84 ILE HB 1 88 HIS HD2 . . 4.700 4.540 4.158 4.718 0.018 15 0 "[ . 1 . 2]" 1
1990 1 84 ILE MD 1 84 ILE MG . . 2.840 2.247 1.991 2.457 . 0 0 "[ . 1 . 2]" 1
1991 1 84 ILE MD 1 85 ARG H . . 4.510 4.403 4.141 4.543 0.033 15 0 "[ . 1 . 2]" 1
1992 1 84 ILE MD 1 88 HIS HB2 . . 5.030 4.493 4.176 4.711 . 0 0 "[ . 1 . 2]" 1
1993 1 84 ILE MD 1 88 HIS HD2 . . 4.260 3.990 3.695 4.238 . 0 0 "[ . 1 . 2]" 1
1994 1 84 ILE HG12 1 84 ILE MG . . 3.410 2.191 2.053 2.362 . 0 0 "[ . 1 . 2]" 1
1995 1 84 ILE HG12 1 88 HIS HD2 . . 3.720 2.358 2.004 2.670 . 0 0 "[ . 1 . 2]" 1
1996 1 84 ILE HG13 1 84 ILE MG . . 3.730 3.167 3.132 3.190 . 0 0 "[ . 1 . 2]" 1
1997 1 84 ILE HG13 1 85 ARG H . . 4.680 4.363 4.238 4.574 . 0 0 "[ . 1 . 2]" 1
1998 1 84 ILE HG13 1 88 HIS HD2 . . 3.830 3.158 2.758 3.566 . 0 0 "[ . 1 . 2]" 1
1999 1 84 ILE MG 1 85 ARG H . . 3.850 3.268 3.081 3.540 . 0 0 "[ . 1 . 2]" 1
2000 1 84 ILE MG 1 85 ARG HA . . 3.890 3.354 3.226 3.475 . 0 0 "[ . 1 . 2]" 1
2001 1 84 ILE MG 1 85 ARG QB . . 4.780 4.524 4.322 4.770 . 0 0 "[ . 1 . 2]" 1
2002 1 84 ILE MG 1 85 ARG QD . . 4.970 4.439 3.251 4.986 0.016 20 0 "[ . 1 . 2]" 1
2003 1 84 ILE MG 1 86 ASP H . . 5.500 4.484 4.327 4.715 . 0 0 "[ . 1 . 2]" 1
2004 1 84 ILE MG 1 88 HIS H . . 4.290 3.537 3.292 3.768 . 0 0 "[ . 1 . 2]" 1
2005 1 84 ILE MG 1 88 HIS HB2 . . 3.520 1.925 1.806 2.007 . 0 0 "[ . 1 . 2]" 1
2006 1 84 ILE MG 1 88 HIS HB3 . . 3.870 3.141 2.776 3.410 . 0 0 "[ . 1 . 2]" 1
2007 1 84 ILE MG 1 88 HIS HD2 . . 3.780 3.171 2.546 3.598 . 0 0 "[ . 1 . 2]" 1
2008 1 84 ILE MG 1 89 ASP H . . 4.730 4.628 4.326 4.780 0.050 18 0 "[ . 1 . 2]" 1
2009 1 84 ILE MG 1 89 ASP QB . . 5.340 5.062 4.584 5.328 . 0 0 "[ . 1 . 2]" 1
2010 1 84 ILE MG 1 90 PRO HD2 . . 4.910 4.459 3.830 4.891 . 0 0 "[ . 1 . 2]" 1
2011 1 84 ILE MG 1 90 PRO HD3 . . 4.260 3.378 2.539 4.024 . 0 0 "[ . 1 . 2]" 1
2012 1 85 ARG H 1 85 ARG QB . . 2.930 2.559 2.488 2.651 . 0 0 "[ . 1 . 2]" 1
2013 1 85 ARG H 1 85 ARG QD . . 4.490 3.801 3.335 4.212 . 0 0 "[ . 1 . 2]" 1
2014 1 85 ARG H 1 85 ARG HG2 . . 3.630 2.640 1.849 3.442 . 0 0 "[ . 1 . 2]" 1
2015 1 85 ARG H 1 85 ARG HG3 . . 3.870 2.551 1.985 3.186 . 0 0 "[ . 1 . 2]" 1
2016 1 85 ARG H 1 86 ASP H . . 3.330 2.579 2.485 2.729 . 0 0 "[ . 1 . 2]" 1
2017 1 85 ARG H 1 86 ASP HA . . 5.500 5.188 5.061 5.342 . 0 0 "[ . 1 . 2]" 1
2018 1 85 ARG H 1 86 ASP QB . . 5.140 4.506 4.335 4.647 . 0 0 "[ . 1 . 2]" 1
2019 1 85 ARG H 1 87 ALA H . . 4.890 4.627 4.241 4.840 . 0 0 "[ . 1 . 2]" 1
2020 1 85 ARG H 1 88 HIS HB2 . . 5.500 5.123 4.838 5.499 . 0 0 "[ . 1 . 2]" 1
2021 1 85 ARG HA 1 85 ARG QD . . 4.720 3.494 2.493 4.271 . 0 0 "[ . 1 . 2]" 1
2022 1 85 ARG HA 1 85 ARG HG2 . . 3.260 2.708 2.440 2.929 . 0 0 "[ . 1 . 2]" 1
2023 1 85 ARG HA 1 85 ARG HG3 . . 4.040 3.512 2.962 3.917 . 0 0 "[ . 1 . 2]" 1
2024 1 85 ARG HA 1 88 HIS H . . 5.050 4.827 4.647 4.947 . 0 0 "[ . 1 . 2]" 1
2025 1 85 ARG HA 1 89 ASP H . . 4.550 4.417 4.214 4.549 . 0 0 "[ . 1 . 2]" 1
2026 1 85 ARG HA 1 89 ASP HB2 . . 4.350 3.690 2.713 4.369 0.019 17 0 "[ . 1 . 2]" 1
2027 1 85 ARG HA 1 89 ASP QB . . 3.640 3.320 2.688 3.673 0.033 3 0 "[ . 1 . 2]" 1
2028 1 85 ARG HA 1 89 ASP HB3 . . 4.350 4.105 3.532 4.430 0.080 15 0 "[ . 1 . 2]" 1
2029 1 85 ARG HA 1 90 PRO HD2 . . 4.360 3.060 2.287 3.944 . 0 0 "[ . 1 . 2]" 1
2030 1 85 ARG HA 1 90 PRO HD3 . . 4.600 3.351 2.227 4.559 . 0 0 "[ . 1 . 2]" 1
2031 1 85 ARG QB 1 85 ARG QD . . 3.420 2.239 2.026 2.522 . 0 0 "[ . 1 . 2]" 1
2032 1 85 ARG QB 1 86 ASP H . . 3.350 3.075 2.897 3.236 . 0 0 "[ . 1 . 2]" 1
2033 1 85 ARG QB 1 86 ASP HA . . 4.650 4.052 4.016 4.085 . 0 0 "[ . 1 . 2]" 1
2034 1 85 ARG QB 1 86 ASP HB2 . . 5.500 4.636 4.313 5.042 . 0 0 "[ . 1 . 2]" 1
2035 1 85 ARG QB 1 86 ASP QB . . 4.740 4.401 4.151 4.671 . 0 0 "[ . 1 . 2]" 1
2036 1 85 ARG QB 1 86 ASP HB3 . . 5.500 5.500 5.368 5.590 0.090 4 0 "[ . 1 . 2]" 1
2037 1 85 ARG QB 1 90 PRO HD2 . . 5.500 4.198 3.404 5.038 . 0 0 "[ . 1 . 2]" 1
2038 1 85 ARG QD 1 86 ASP H . . 5.500 5.282 4.922 5.587 0.087 10 0 "[ . 1 . 2]" 1
2039 1 85 ARG HG2 1 86 ASP H . . 5.160 4.681 4.151 5.268 0.108 17 0 "[ . 1 . 2]" 1
2040 1 85 ARG HG3 1 86 ASP H . . 4.820 4.587 4.321 4.919 0.099 9 0 "[ . 1 . 2]" 1
2041 1 86 ASP H 1 86 ASP HB2 . . 3.690 2.356 2.255 2.537 . 0 0 "[ . 1 . 2]" 1
2042 1 86 ASP H 1 86 ASP QB . . 3.040 2.326 2.231 2.493 . 0 0 "[ . 1 . 2]" 1
2043 1 86 ASP H 1 86 ASP HB3 . . 3.690 3.595 3.529 3.672 . 0 0 "[ . 1 . 2]" 1
2044 1 86 ASP H 1 87 ALA H . . 3.270 2.485 2.185 2.661 . 0 0 "[ . 1 . 2]" 1
2045 1 86 ASP H 1 87 ALA MB . . 4.410 4.186 4.094 4.317 . 0 0 "[ . 1 . 2]" 1
2046 1 86 ASP H 1 88 HIS H . . 4.430 3.722 3.661 3.793 . 0 0 "[ . 1 . 2]" 1
2047 1 86 ASP H 1 89 ASP H . . 5.030 4.738 4.380 5.102 0.072 10 0 "[ . 1 . 2]" 1
2048 1 86 ASP HA 1 87 ALA MB . . 5.100 4.985 4.872 5.042 . 0 0 "[ . 1 . 2]" 1
2049 1 86 ASP HA 1 88 HIS H . . 5.500 5.192 4.962 5.418 . 0 0 "[ . 1 . 2]" 1
2050 1 86 ASP QB 1 87 ALA H . . 3.200 2.284 2.077 2.651 . 0 0 "[ . 1 . 2]" 1
2051 1 86 ASP QB 1 87 ALA HA . . 4.320 3.873 3.744 4.080 . 0 0 "[ . 1 . 2]" 1
2052 1 86 ASP QB 1 87 ALA MB . . 3.810 3.442 3.310 3.558 . 0 0 "[ . 1 . 2]" 1
2053 1 86 ASP HB2 1 87 ALA H . . 3.710 2.361 2.112 2.719 . 0 0 "[ . 1 . 2]" 1
2054 1 86 ASP HB2 1 87 ALA HA . . 4.950 4.595 4.404 4.841 . 0 0 "[ . 1 . 2]" 1
2055 1 86 ASP HB2 1 87 ALA MB . . 4.420 3.734 3.449 3.925 . 0 0 "[ . 1 . 2]" 1
2056 1 86 ASP HB3 1 87 ALA H . . 3.710 3.080 2.737 3.736 0.026 10 0 "[ . 1 . 2]" 1
2057 1 86 ASP HB3 1 87 ALA HA . . 4.950 4.187 3.947 4.650 . 0 0 "[ . 1 . 2]" 1
2058 1 86 ASP HB3 1 87 ALA MB . . 4.420 4.063 3.843 4.262 . 0 0 "[ . 1 . 2]" 1
2059 1 87 ALA H 1 87 ALA MB . . 2.970 2.175 2.027 2.383 . 0 0 "[ . 1 . 2]" 1
2060 1 87 ALA H 1 88 HIS H . . 3.050 2.575 2.263 2.816 . 0 0 "[ . 1 . 2]" 1
2061 1 87 ALA H 1 89 ASP H . . 4.700 4.243 4.099 4.548 . 0 0 "[ . 1 . 2]" 1
2062 1 87 ALA MB 1 88 HIS H . . 3.440 2.407 2.284 2.506 . 0 0 "[ . 1 . 2]" 1
2063 1 87 ALA MB 1 88 HIS HB3 . . 5.230 4.833 4.677 4.952 . 0 0 "[ . 1 . 2]" 1
2064 1 87 ALA MB 1 88 HIS HD2 . . 4.150 3.643 3.092 4.100 . 0 0 "[ . 1 . 2]" 1
2065 1 87 ALA MB 1 88 HIS HE1 . . 4.650 3.824 3.505 4.131 . 0 0 "[ . 1 . 2]" 1
2066 1 88 HIS H 1 88 HIS HB2 . . 3.410 2.661 2.563 2.783 . 0 0 "[ . 1 . 2]" 1
2067 1 88 HIS H 1 88 HIS HB3 . . 3.700 3.688 3.646 3.735 0.035 16 0 "[ . 1 . 2]" 1
2068 1 88 HIS H 1 88 HIS HD2 . . 4.120 3.337 2.944 3.573 . 0 0 "[ . 1 . 2]" 1
2069 1 88 HIS H 1 89 ASP H . . 3.490 3.125 2.920 3.405 . 0 0 "[ . 1 . 2]" 1
2070 1 88 HIS HB2 1 88 HIS HD2 . . 3.840 2.699 2.689 2.739 . 0 0 "[ . 1 . 2]" 1
2071 1 88 HIS HB2 1 89 ASP H . . 4.840 4.246 4.146 4.357 . 0 0 "[ . 1 . 2]" 1
2072 1 88 HIS HB3 1 89 ASP H . . 4.500 4.491 4.422 4.531 0.031 19 0 "[ . 1 . 2]" 1
2073 1 89 ASP H 1 89 ASP HB2 . . 3.800 3.376 2.645 3.600 . 0 0 "[ . 1 . 2]" 1
2074 1 89 ASP H 1 89 ASP HB3 . . 3.800 2.353 2.152 2.767 . 0 0 "[ . 1 . 2]" 1
2075 1 89 ASP H 1 90 PRO HD2 . . 5.000 4.734 4.588 4.821 . 0 0 "[ . 1 . 2]" 1
2076 1 89 ASP H 1 90 PRO HD3 . . 4.770 4.615 4.356 4.780 0.010 2 0 "[ . 1 . 2]" 1
2077 1 89 ASP QB 1 90 PRO HD2 . . 3.760 3.162 2.686 3.670 . 0 0 "[ . 1 . 2]" 1
2078 1 89 ASP QB 1 90 PRO HD3 . . 4.540 4.117 3.838 4.369 . 0 0 "[ . 1 . 2]" 1
2079 1 89 ASP HB2 1 90 PRO HD2 . . 4.460 3.285 2.742 3.968 . 0 0 "[ . 1 . 2]" 1
2080 1 89 ASP HB2 1 90 PRO HD3 . . 5.190 4.419 4.066 4.782 . 0 0 "[ . 1 . 2]" 1
2081 1 89 ASP HB3 1 90 PRO HD2 . . 4.460 4.176 3.790 4.467 0.007 10 0 "[ . 1 . 2]" 1
2082 1 89 ASP HB3 1 90 PRO HD3 . . 5.190 4.927 4.681 5.118 . 0 0 "[ . 1 . 2]" 1
2083 1 90 PRO HA 1 91 GLN H . . 3.130 2.484 2.153 3.242 0.112 3 0 "[ . 1 . 2]" 1
2084 1 90 PRO QB 1 91 GLN H . . 3.890 3.079 2.014 3.863 . 0 0 "[ . 1 . 2]" 1
2085 1 90 PRO QB 1 92 ASP H . . 5.050 3.919 2.133 4.974 . 0 0 "[ . 1 . 2]" 1
2086 1 91 GLN H 1 91 GLN QB . . 3.410 2.595 2.207 3.313 . 0 0 "[ . 1 . 2]" 1
2087 1 91 GLN H 1 91 GLN QG . . 3.950 3.185 1.898 4.054 0.104 11 0 "[ . 1 . 2]" 1
2088 1 91 GLN H 1 92 ASP H . . 4.270 3.354 2.364 4.213 . 0 0 "[ . 1 . 2]" 1
2089 1 91 GLN HA 1 91 GLN QG . . 3.690 2.568 2.200 3.339 . 0 0 "[ . 1 . 2]" 1
2090 1 91 GLN HA 1 92 ASP H . . 3.350 2.610 2.144 3.384 0.034 14 0 "[ . 1 . 2]" 1
2091 1 91 GLN QB 1 92 ASP H . . 4.160 3.763 3.138 4.042 . 0 0 "[ . 1 . 2]" 1
2092 1 91 GLN HB2 1 92 ASP H . . 4.940 4.239 3.303 4.573 . 0 0 "[ . 1 . 2]" 1
2093 1 91 GLN HB3 1 92 ASP H . . 4.940 4.270 3.917 4.522 . 0 0 "[ . 1 . 2]" 1
2094 1 92 ASP H 1 92 ASP HB2 . . 4.020 2.973 2.260 3.715 . 0 0 "[ . 1 . 2]" 1
2095 1 92 ASP H 1 92 ASP QB . . 3.450 2.550 2.225 3.265 . 0 0 "[ . 1 . 2]" 1
2096 1 92 ASP H 1 92 ASP HB3 . . 4.020 3.146 2.297 3.991 . 0 0 "[ . 1 . 2]" 1
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