NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450896 |
2rnb   |
11020 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rnb
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 787
_Distance_constraint_stats_list.Viol_count 2843
_Distance_constraint_stats_list.Viol_total 2712.020
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0477
_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 3 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.347 0.047 9 0 "[ . 1 . 2]"
1 5 MET 1.306 0.192 10 0 "[ . 1 . 2]"
1 6 PRO 0.579 0.054 11 0 "[ . 1 . 2]"
1 7 GLY 0.457 0.069 14 0 "[ . 1 . 2]"
1 8 LEU 2.267 0.154 14 0 "[ . 1 . 2]"
1 9 VAL 1.674 0.154 14 0 "[ . 1 . 2]"
1 10 ASP 0.482 0.120 11 0 "[ . 1 . 2]"
1 11 SER 0.223 0.119 6 0 "[ . 1 . 2]"
1 12 ASN 1.497 0.124 6 0 "[ . 1 . 2]"
1 13 PRO 2.383 0.124 6 0 "[ . 1 . 2]"
1 14 ALA 1.715 0.086 13 0 "[ . 1 . 2]"
1 15 PRO 0.706 0.045 1 0 "[ . 1 . 2]"
1 16 PRO 0.931 0.057 6 0 "[ . 1 . 2]"
1 17 GLU 2.214 0.159 19 0 "[ . 1 . 2]"
1 18 SER 1.878 0.126 19 0 "[ . 1 . 2]"
1 19 GLN 1.592 0.161 4 0 "[ . 1 . 2]"
1 20 GLU 2.615 0.205 3 0 "[ . 1 . 2]"
1 21 LYS 5.594 0.205 3 0 "[ . 1 . 2]"
1 22 LYS 0.948 0.075 13 0 "[ . 1 . 2]"
1 23 PRO 2.130 0.076 14 0 "[ . 1 . 2]"
1 24 LEU 6.634 0.144 17 0 "[ . 1 . 2]"
1 25 LYS 3.796 0.096 9 0 "[ . 1 . 2]"
1 26 PRO 5.325 0.127 3 0 "[ . 1 . 2]"
1 27 CYS 0.011 0.009 18 0 "[ . 1 . 2]"
1 28 CYS 4.273 0.127 3 0 "[ . 1 . 2]"
1 29 ALA 3.487 0.174 18 0 "[ . 1 . 2]"
1 30 CYS 1.707 0.174 18 0 "[ . 1 . 2]"
1 31 PRO 2.154 0.126 11 0 "[ . 1 . 2]"
1 32 GLU 2.785 0.153 14 0 "[ . 1 . 2]"
1 33 THR 1.815 0.092 20 0 "[ . 1 . 2]"
1 34 LYS 3.415 0.077 17 0 "[ . 1 . 2]"
1 35 LYS 5.067 0.158 2 0 "[ . 1 . 2]"
1 36 ALA 2.316 0.133 16 0 "[ . 1 . 2]"
1 37 ARG 5.737 0.157 2 0 "[ . 1 . 2]"
1 38 ASP 0.785 0.045 10 0 "[ . 1 . 2]"
1 39 ALA 0.479 0.031 2 0 "[ . 1 . 2]"
1 40 CYS 3.800 0.067 9 0 "[ . 1 . 2]"
1 41 ILE 3.449 0.053 16 0 "[ . 1 . 2]"
1 42 ILE 0.932 0.041 18 0 "[ . 1 . 2]"
1 43 GLU 2.951 0.160 13 0 "[ . 1 . 2]"
1 44 LYS 9.818 0.329 13 0 "[ . 1 . 2]"
1 45 GLY 1.097 0.051 7 0 "[ . 1 . 2]"
1 46 GLU 4.104 0.093 11 0 "[ . 1 . 2]"
1 47 GLU 1.505 0.089 5 0 "[ . 1 . 2]"
1 48 HIS 6.320 0.172 7 0 "[ . 1 . 2]"
1 49 CYS 3.517 0.163 10 0 "[ . 1 . 2]"
1 50 GLY 3.749 0.197 16 0 "[ . 1 . 2]"
1 51 HIS 2.649 0.095 4 0 "[ . 1 . 2]"
1 52 LEU 6.716 0.099 13 0 "[ . 1 . 2]"
1 53 ILE 10.372 0.197 16 0 "[ . 1 . 2]"
1 54 GLU 10.793 0.370 16 0 "[ . 1 . 2]"
1 55 ALA 0.636 0.036 10 0 "[ . 1 . 2]"
1 56 HIS 8.419 0.157 2 0 "[ . 1 . 2]"
1 57 LYS 6.407 0.164 7 0 "[ . 1 . 2]"
1 58 GLU 2.885 0.172 8 0 "[ . 1 . 2]"
1 59 CYS 1.079 0.118 1 0 "[ . 1 . 2]"
1 60 MET 4.770 0.138 16 0 "[ . 1 . 2]"
1 61 ARG 6.854 0.205 10 0 "[ . 1 . 2]"
1 62 ALA 3.722 0.215 12 0 "[ . 1 . 2]"
1 63 LEU 11.807 0.215 12 0 "[ . 1 . 2]"
1 64 GLY 0.705 0.108 18 0 "[ . 1 . 2]"
1 65 PHE 13.633 0.168 4 0 "[ . 1 . 2]"
1 66 LYS 2.102 0.157 18 0 "[ . 1 . 2]"
1 67 ILE 3.886 0.236 5 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 3 PHE HA 1 4 THR H . . 3.140 2.434 2.170 2.835 . 0 0 "[ . 1 . 2]" 1
2 1 4 THR HB 1 6 PRO HD2 . . 3.770 3.737 2.944 3.817 0.047 9 0 "[ . 1 . 2]" 1
3 1 4 THR HB 1 6 PRO HD3 . . 4.340 2.567 2.248 3.083 . 0 0 "[ . 1 . 2]" 1
4 1 4 THR MG 1 6 PRO HB3 . . 3.570 3.145 2.567 3.593 0.023 9 0 "[ . 1 . 2]" 1
5 1 4 THR MG 1 6 PRO HD3 . . 4.890 2.269 2.087 2.454 . 0 0 "[ . 1 . 2]" 1
6 1 5 MET H 1 5 MET HG3 . . 4.940 4.128 2.655 4.895 . 0 0 "[ . 1 . 2]" 1
7 1 5 MET H 1 6 PRO HD2 . . 4.390 3.894 3.231 4.155 . 0 0 "[ . 1 . 2]" 1
8 1 5 MET H 1 6 PRO HD3 . . 4.910 3.137 2.785 3.416 . 0 0 "[ . 1 . 2]" 1
9 1 5 MET H 1 8 LEU MD2 . . 5.270 4.915 3.993 5.329 0.059 2 0 "[ . 1 . 2]" 1
10 1 5 MET HA 1 5 MET HG3 . . 3.340 2.984 2.336 3.532 0.192 10 0 "[ . 1 . 2]" 1
11 1 5 MET HA 1 7 GLY H . . 3.490 3.444 3.062 3.559 0.069 14 0 "[ . 1 . 2]" 1
12 1 5 MET HG2 1 8 LEU MD1 . . 5.010 3.798 2.280 5.027 0.017 10 0 "[ . 1 . 2]" 1
13 1 5 MET HG2 1 8 LEU MD2 . . 4.780 3.719 2.355 4.786 0.006 3 0 "[ . 1 . 2]" 1
14 1 5 MET HG3 1 8 LEU MD1 . . 3.830 3.277 2.075 3.875 0.045 11 0 "[ . 1 . 2]" 1
15 1 5 MET HG3 1 8 LEU MD2 . . 3.830 2.918 2.002 3.851 0.021 9 0 "[ . 1 . 2]" 1
16 1 6 PRO HA 1 7 GLY H . . 3.520 3.180 2.687 3.408 . 0 0 "[ . 1 . 2]" 1
17 1 6 PRO HA 1 8 LEU MD2 . . 4.330 4.204 3.180 4.384 0.054 11 0 "[ . 1 . 2]" 1
18 1 6 PRO HD2 1 7 GLY H . . 4.770 3.451 2.903 4.024 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLY H 1 8 LEU MD2 . . 4.640 3.310 1.871 4.646 0.006 5 0 "[ . 1 . 2]" 1
20 1 7 GLY QA 1 8 LEU H . . 3.300 2.555 2.124 2.944 . 0 0 "[ . 1 . 2]" 1
21 1 8 LEU H 1 8 LEU MD2 . . 3.920 2.900 2.058 3.962 0.042 5 0 "[ . 1 . 2]" 1
22 1 8 LEU H 1 8 LEU HG . . 4.650 4.002 2.747 4.672 0.022 1 0 "[ . 1 . 2]" 1
23 1 8 LEU H 1 9 VAL HB . . 5.460 5.066 4.505 5.502 0.042 5 0 "[ . 1 . 2]" 1
24 1 8 LEU HA 1 8 LEU MD2 . . 4.320 3.524 2.144 3.861 . 0 0 "[ . 1 . 2]" 1
25 1 8 LEU HA 1 9 VAL H . . 2.870 2.419 1.979 2.890 0.020 14 0 "[ . 1 . 2]" 1
26 1 8 LEU HA 1 9 VAL HB . . 4.480 4.457 4.083 4.634 0.154 14 0 "[ . 1 . 2]" 1
27 1 8 LEU QB 1 8 LEU HG . . 2.400 2.318 2.099 2.469 0.069 2 0 "[ . 1 . 2]" 1
28 1 8 LEU HG 1 9 VAL H . . 4.010 3.747 2.891 4.148 0.138 11 0 "[ . 1 . 2]" 1
29 1 9 VAL H 1 9 VAL HB . . 3.480 3.291 2.378 3.507 0.027 1 0 "[ . 1 . 2]" 1
30 1 9 VAL HA 1 10 ASP H . . 3.030 2.320 2.080 3.150 0.120 11 0 "[ . 1 . 2]" 1
31 1 9 VAL QG 1 10 ASP H . . 5.280 2.716 1.983 3.742 . 0 0 "[ . 1 . 2]" 1
32 1 9 VAL QG 1 10 ASP HB2 . . 5.020 4.499 2.686 5.067 0.047 10 0 "[ . 1 . 2]" 1
33 1 10 ASP H 1 10 ASP HB2 . . 3.970 3.011 2.244 3.725 . 0 0 "[ . 1 . 2]" 1
34 1 10 ASP HA 1 11 SER H . . 3.280 2.554 2.041 3.399 0.119 6 0 "[ . 1 . 2]" 1
35 1 11 SER HA 1 12 ASN H . . 3.550 2.676 2.108 3.509 . 0 0 "[ . 1 . 2]" 1
36 1 12 ASN H 1 13 PRO HB3 . . 4.850 4.772 4.456 4.905 0.055 10 0 "[ . 1 . 2]" 1
37 1 12 ASN HA 1 13 PRO HD2 . . 3.090 2.234 2.104 2.445 . 0 0 "[ . 1 . 2]" 1
38 1 12 ASN HA 1 13 PRO HD3 . . 3.020 2.796 2.196 3.049 0.029 15 0 "[ . 1 . 2]" 1
39 1 12 ASN HB2 1 13 PRO HD2 . . 4.590 4.603 4.387 4.714 0.124 6 0 "[ . 1 . 2]" 1
40 1 12 ASN HB2 1 13 PRO HD3 . . 4.880 4.864 4.740 4.926 0.046 2 0 "[ . 1 . 2]" 1
41 1 12 ASN HB3 1 12 ASN HD22 . . 4.050 3.812 3.595 4.078 0.028 12 0 "[ . 1 . 2]" 1
42 1 12 ASN HB3 1 13 PRO HD2 . . 5.150 4.780 3.939 5.011 . 0 0 "[ . 1 . 2]" 1
43 1 13 PRO HA 1 14 ALA H . . 2.620 2.466 2.037 2.675 0.055 10 0 "[ . 1 . 2]" 1
44 1 13 PRO HA 1 14 ALA MB . . 4.860 3.984 3.746 4.204 . 0 0 "[ . 1 . 2]" 1
45 1 13 PRO HB2 1 14 ALA H . . 4.290 2.512 1.925 3.983 . 0 0 "[ . 1 . 2]" 1
46 1 13 PRO HB3 1 14 ALA H . . 4.040 3.575 3.335 4.126 0.086 13 0 "[ . 1 . 2]" 1
47 1 13 PRO HD2 1 14 ALA H . . 5.170 5.199 5.123 5.256 0.086 6 0 "[ . 1 . 2]" 1
48 1 14 ALA H 1 14 ALA MB . . 2.980 2.503 2.199 2.801 . 0 0 "[ . 1 . 2]" 1
49 1 14 ALA H 1 15 PRO HD2 . . 5.080 4.843 4.708 4.889 . 0 0 "[ . 1 . 2]" 1
50 1 14 ALA H 1 15 PRO HD3 . . 5.080 5.028 4.789 5.125 0.045 5 0 "[ . 1 . 2]" 1
51 1 14 ALA HA 1 15 PRO HD2 . . 2.790 2.375 2.235 2.459 . 0 0 "[ . 1 . 2]" 1
52 1 14 ALA HA 1 15 PRO HD3 . . 2.860 2.510 2.391 2.604 . 0 0 "[ . 1 . 2]" 1
53 1 14 ALA MB 1 15 PRO HB2 . . 5.020 5.044 5.030 5.065 0.045 1 0 "[ . 1 . 2]" 1
54 1 14 ALA MB 1 15 PRO HD2 . . 3.500 2.183 2.132 2.266 . 0 0 "[ . 1 . 2]" 1
55 1 14 ALA MB 1 15 PRO HD3 . . 3.500 3.468 3.402 3.508 0.008 6 0 "[ . 1 . 2]" 1
56 1 14 ALA MB 1 15 PRO QG . . 3.730 3.531 3.472 3.599 . 0 0 "[ . 1 . 2]" 1
57 1 15 PRO HA 1 16 PRO HD2 . . 2.910 2.474 2.217 2.681 . 0 0 "[ . 1 . 2]" 1
58 1 15 PRO HA 1 16 PRO HD3 . . 4.070 2.493 2.191 2.813 . 0 0 "[ . 1 . 2]" 1
59 1 15 PRO HB2 1 16 PRO HD2 . . 4.110 2.637 2.186 3.629 . 0 0 "[ . 1 . 2]" 1
60 1 16 PRO HA 1 17 GLU H . . 2.730 2.498 2.379 2.626 . 0 0 "[ . 1 . 2]" 1
61 1 16 PRO HB2 1 17 GLU H . . 3.880 2.258 2.115 2.357 . 0 0 "[ . 1 . 2]" 1
62 1 16 PRO HB3 1 17 GLU H . . 3.330 3.364 3.344 3.387 0.057 6 0 "[ . 1 . 2]" 1
63 1 16 PRO QG 1 17 GLU H . . 3.790 3.786 3.635 3.824 0.034 6 0 "[ . 1 . 2]" 1
64 1 17 GLU H 1 17 GLU HB2 . . 3.310 2.818 2.359 3.469 0.159 19 0 "[ . 1 . 2]" 1
65 1 17 GLU H 1 17 GLU QG . . 3.930 3.046 1.805 4.011 0.081 13 0 "[ . 1 . 2]" 1
66 1 17 GLU HA 1 18 SER H . . 3.420 2.459 2.069 3.453 0.033 3 0 "[ . 1 . 2]" 1
67 1 17 GLU HB2 1 17 GLU QG . . 2.600 2.313 2.122 2.500 . 0 0 "[ . 1 . 2]" 1
68 1 17 GLU HB3 1 18 SER H . . 3.740 3.202 2.069 3.863 0.123 12 0 "[ . 1 . 2]" 1
69 1 17 GLU QG 1 18 SER H . . 4.190 3.701 2.428 4.258 0.068 6 0 "[ . 1 . 2]" 1
70 1 18 SER H 1 18 SER HA . . 2.810 2.795 2.317 2.883 0.073 12 0 "[ . 1 . 2]" 1
71 1 18 SER HB2 1 19 GLN HA . . 4.550 4.568 4.348 4.676 0.126 19 0 "[ . 1 . 2]" 1
72 1 19 GLN H 1 19 GLN HB3 . . 3.310 3.069 2.404 3.471 0.161 4 0 "[ . 1 . 2]" 1
73 1 19 GLN HA 1 19 GLN HB2 . . 2.860 2.656 2.388 2.975 0.115 4 0 "[ . 1 . 2]" 1
74 1 19 GLN HA 1 19 GLN QG . . 3.390 2.677 2.243 3.211 . 0 0 "[ . 1 . 2]" 1
75 1 19 GLN HE21 1 20 GLU H . . 4.620 4.017 2.754 4.681 0.061 4 0 "[ . 1 . 2]" 1
76 1 20 GLU H 1 20 GLU HB3 . . 3.760 3.348 2.431 3.855 0.095 10 0 "[ . 1 . 2]" 1
77 1 20 GLU HA 1 20 GLU HB2 . . 2.890 2.709 2.196 2.972 0.082 5 0 "[ . 1 . 2]" 1
78 1 20 GLU HA 1 20 GLU HG2 . . 3.930 2.899 2.117 4.083 0.153 17 0 "[ . 1 . 2]" 1
79 1 20 GLU HA 1 20 GLU HG3 . . 4.190 3.343 2.566 3.743 . 0 0 "[ . 1 . 2]" 1
80 1 20 GLU HA 1 21 LYS H . . 2.830 2.478 1.989 2.872 0.042 15 0 "[ . 1 . 2]" 1
81 1 20 GLU HB2 1 21 LYS H . . 3.540 3.342 2.232 3.745 0.205 3 0 "[ . 1 . 2]" 1
82 1 20 GLU HG2 1 21 LYS H . . 4.370 3.524 2.014 4.424 0.054 11 0 "[ . 1 . 2]" 1
83 1 21 LYS H 1 21 LYS HA . . 2.870 2.874 2.323 2.957 0.087 13 0 "[ . 1 . 2]" 1
84 1 21 LYS H 1 21 LYS HB2 . . 3.770 2.801 2.255 3.758 . 0 0 "[ . 1 . 2]" 1
85 1 21 LYS H 1 21 LYS HB3 . . 3.420 3.183 2.311 3.579 0.159 2 0 "[ . 1 . 2]" 1
86 1 21 LYS H 1 21 LYS HG2 . . 4.690 3.985 1.974 4.761 0.071 17 0 "[ . 1 . 2]" 1
87 1 21 LYS HA 1 21 LYS HB2 . . 2.930 2.730 2.314 3.004 0.074 2 0 "[ . 1 . 2]" 1
88 1 21 LYS HA 1 21 LYS QD . . 4.180 3.012 2.028 4.199 0.019 5 0 "[ . 1 . 2]" 1
89 1 21 LYS HA 1 21 LYS HG2 . . 3.810 3.316 2.371 3.817 0.007 14 0 "[ . 1 . 2]" 1
90 1 21 LYS HA 1 22 LYS H . . 3.110 2.561 2.158 3.177 0.067 15 0 "[ . 1 . 2]" 1
91 1 21 LYS HB2 1 21 LYS HG3 . . 2.720 2.579 2.204 2.903 0.183 8 0 "[ . 1 . 2]" 1
92 1 21 LYS HB3 1 21 LYS HG3 . . 2.890 2.556 2.221 2.989 0.099 5 0 "[ . 1 . 2]" 1
93 1 22 LYS H 1 22 LYS QG . . 4.260 3.275 2.311 4.275 0.015 14 0 "[ . 1 . 2]" 1
94 1 22 LYS HA 1 22 LYS QE . . 4.250 3.654 1.983 4.285 0.035 1 0 "[ . 1 . 2]" 1
95 1 22 LYS HA 1 22 LYS QG . . 3.760 2.501 2.088 3.219 . 0 0 "[ . 1 . 2]" 1
96 1 22 LYS HA 1 23 PRO HD2 . . 3.090 2.778 2.369 3.111 0.021 13 0 "[ . 1 . 2]" 1
97 1 22 LYS HA 1 23 PRO HD3 . . 3.390 2.283 2.121 2.645 . 0 0 "[ . 1 . 2]" 1
98 1 22 LYS HB3 1 22 LYS QE . . 4.250 3.509 1.929 4.251 0.001 20 0 "[ . 1 . 2]" 1
99 1 22 LYS HB3 1 23 PRO HD2 . . 3.620 2.338 2.048 3.220 . 0 0 "[ . 1 . 2]" 1
100 1 22 LYS HB3 1 23 PRO HD3 . . 3.850 3.479 2.886 3.891 0.041 14 0 "[ . 1 . 2]" 1
101 1 22 LYS QD 1 22 LYS QG . . 2.400 2.071 1.949 2.128 . 0 0 "[ . 1 . 2]" 1
102 1 22 LYS QE 1 22 LYS QG . . 3.180 2.268 2.004 2.698 . 0 0 "[ . 1 . 2]" 1
103 1 22 LYS QE 1 23 PRO HD3 . . 4.410 4.351 3.649 4.485 0.075 13 0 "[ . 1 . 2]" 1
104 1 22 LYS QG 1 23 PRO HD2 . . 4.300 3.092 2.109 4.315 0.015 17 0 "[ . 1 . 2]" 1
105 1 23 PRO HA 1 24 LEU H . . 2.510 2.346 2.089 2.538 0.028 16 0 "[ . 1 . 2]" 1
106 1 23 PRO HA 1 24 LEU HB2 . . 4.140 4.104 3.853 4.197 0.057 16 0 "[ . 1 . 2]" 1
107 1 23 PRO HA 1 24 LEU QD . . 4.890 4.790 4.142 4.966 0.076 14 0 "[ . 1 . 2]" 1
108 1 23 PRO HB2 1 24 LEU H . . 3.950 2.621 2.141 3.990 0.040 13 0 "[ . 1 . 2]" 1
109 1 23 PRO HB2 1 24 LEU QD . . 5.180 5.193 4.971 5.255 0.075 6 0 "[ . 1 . 2]" 1
110 1 24 LEU H 1 24 LEU HB2 . . 3.010 2.473 2.042 2.966 . 0 0 "[ . 1 . 2]" 1
111 1 24 LEU H 1 24 LEU HB3 . . 3.790 3.155 2.695 3.791 0.001 13 0 "[ . 1 . 2]" 1
112 1 24 LEU H 1 24 LEU MD1 . . 4.540 4.251 3.242 4.550 0.010 2 0 "[ . 1 . 2]" 1
113 1 24 LEU H 1 25 LYS H . . 4.610 4.504 4.372 4.612 0.002 9 0 "[ . 1 . 2]" 1
114 1 24 LEU HA 1 24 LEU HB2 . . 2.880 2.792 2.680 2.948 0.068 18 0 "[ . 1 . 2]" 1
115 1 24 LEU HA 1 24 LEU HB3 . . 2.840 2.895 2.737 2.942 0.102 9 0 "[ . 1 . 2]" 1
116 1 24 LEU HA 1 24 LEU QD . . 3.550 2.104 1.966 2.757 . 0 0 "[ . 1 . 2]" 1
117 1 24 LEU HA 1 24 LEU MD2 . . 3.280 2.362 2.036 2.901 . 0 0 "[ . 1 . 2]" 1
118 1 24 LEU HA 1 25 LYS H . . 2.810 2.380 2.266 2.652 . 0 0 "[ . 1 . 2]" 1
119 1 24 LEU HB2 1 65 PHE HZ . . 4.500 3.936 3.462 4.258 . 0 0 "[ . 1 . 2]" 1
120 1 24 LEU HB3 1 29 ALA HA . . 4.750 4.589 3.904 4.825 0.075 3 0 "[ . 1 . 2]" 1
121 1 24 LEU HB3 1 65 PHE QE . . 4.330 2.808 2.302 3.581 . 0 0 "[ . 1 . 2]" 1
122 1 24 LEU HB3 1 65 PHE HZ . . 4.190 2.371 2.111 2.852 . 0 0 "[ . 1 . 2]" 1
123 1 24 LEU QD 1 25 LYS H . . 5.110 1.671 1.483 2.271 . 0 0 "[ . 1 . 2]" 1
124 1 24 LEU QD 1 26 PRO HA . . 4.940 3.929 3.230 4.716 . 0 0 "[ . 1 . 2]" 1
125 1 24 LEU QD 1 29 ALA HA . . 3.770 2.056 1.868 2.325 . 0 0 "[ . 1 . 2]" 1
126 1 24 LEU QD 1 29 ALA MB . . 4.540 2.037 1.789 2.899 . 0 0 "[ . 1 . 2]" 1
127 1 24 LEU QD 1 65 PHE QD . . 5.110 4.594 4.311 5.132 0.022 13 0 "[ . 1 . 2]" 1
128 1 24 LEU QD 1 65 PHE QE . . 4.460 2.986 2.393 3.723 . 0 0 "[ . 1 . 2]" 1
129 1 24 LEU QD 1 65 PHE HZ . . 4.820 3.032 2.328 4.029 . 0 0 "[ . 1 . 2]" 1
130 1 24 LEU MD1 1 25 LYS H . . 5.360 2.694 1.486 4.532 . 0 0 "[ . 1 . 2]" 1
131 1 24 LEU MD1 1 29 ALA HA . . 3.940 2.475 1.963 3.956 0.016 17 0 "[ . 1 . 2]" 1
132 1 24 LEU MD2 1 25 LYS H . . 4.320 2.739 1.655 3.652 . 0 0 "[ . 1 . 2]" 1
133 1 24 LEU MD2 1 25 LYS HG2 . . 4.400 4.365 3.363 4.482 0.082 7 0 "[ . 1 . 2]" 1
134 1 24 LEU MD2 1 28 CYS H . . 5.760 4.879 3.765 5.773 0.013 3 0 "[ . 1 . 2]" 1
135 1 24 LEU MD2 1 28 CYS HB2 . . 4.140 3.711 2.514 4.225 0.085 9 0 "[ . 1 . 2]" 1
136 1 24 LEU MD2 1 28 CYS HB3 . . 4.140 3.825 2.737 4.169 0.029 4 0 "[ . 1 . 2]" 1
137 1 24 LEU MD2 1 29 ALA HA . . 3.760 2.457 2.009 3.142 . 0 0 "[ . 1 . 2]" 1
138 1 24 LEU MD2 1 29 ALA MB . . 3.360 2.780 1.839 3.435 0.075 9 0 "[ . 1 . 2]" 1
139 1 24 LEU MD2 1 30 CYS H . . 6.000 3.908 3.238 4.612 . 0 0 "[ . 1 . 2]" 1
140 1 24 LEU MD2 1 65 PHE QD . . 5.620 5.611 4.541 5.707 0.087 3 0 "[ . 1 . 2]" 1
141 1 24 LEU MD2 1 65 PHE HZ . . 5.810 4.140 2.942 4.975 . 0 0 "[ . 1 . 2]" 1
142 1 24 LEU HG 1 29 ALA MB . . 4.000 3.165 2.130 4.144 0.144 17 0 "[ . 1 . 2]" 1
143 1 25 LYS H 1 25 LYS QB . . 3.320 2.994 2.553 3.305 . 0 0 "[ . 1 . 2]" 1
144 1 25 LYS H 1 25 LYS QD . . 5.220 4.029 3.511 4.577 . 0 0 "[ . 1 . 2]" 1
145 1 25 LYS H 1 25 LYS QE . . 4.790 4.773 4.287 4.883 0.093 2 0 "[ . 1 . 2]" 1
146 1 25 LYS H 1 25 LYS HG2 . . 3.500 2.786 1.996 3.535 0.035 14 0 "[ . 1 . 2]" 1
147 1 25 LYS H 1 25 LYS HG3 . . 4.330 2.637 1.885 3.265 . 0 0 "[ . 1 . 2]" 1
148 1 25 LYS H 1 26 PRO HD2 . . 5.080 4.883 4.747 5.051 . 0 0 "[ . 1 . 2]" 1
149 1 25 LYS H 1 28 CYS HB3 . . 4.740 4.497 3.655 4.802 0.062 7 0 "[ . 1 . 2]" 1
150 1 25 LYS H 1 29 ALA HA . . 4.620 4.673 4.625 4.716 0.096 9 0 "[ . 1 . 2]" 1
151 1 25 LYS HA 1 25 LYS HG3 . . 3.920 3.694 3.313 3.896 . 0 0 "[ . 1 . 2]" 1
152 1 25 LYS HA 1 26 PRO HA . . 4.390 4.260 4.062 4.434 0.044 14 0 "[ . 1 . 2]" 1
153 1 25 LYS HA 1 26 PRO HD2 . . 2.450 2.491 2.456 2.515 0.065 15 0 "[ . 1 . 2]" 1
154 1 25 LYS HA 1 26 PRO HD3 . . 2.810 2.414 2.270 2.526 . 0 0 "[ . 1 . 2]" 1
155 1 25 LYS HA 1 65 PHE QE . . 5.060 3.774 3.379 4.584 . 0 0 "[ . 1 . 2]" 1
156 1 25 LYS QB 1 26 PRO HD2 . . 3.760 2.499 2.168 2.840 . 0 0 "[ . 1 . 2]" 1
157 1 25 LYS QB 1 27 CYS H . . 4.000 3.421 2.685 4.009 0.009 18 0 "[ . 1 . 2]" 1
158 1 25 LYS HG2 1 28 CYS H . . 5.250 4.742 3.718 5.312 0.062 2 0 "[ . 1 . 2]" 1
159 1 26 PRO HB2 1 27 CYS H . . 4.520 3.823 3.489 4.080 . 0 0 "[ . 1 . 2]" 1
160 1 26 PRO HB2 1 65 PHE QD . . 3.670 3.756 3.731 3.788 0.118 3 0 "[ . 1 . 2]" 1
161 1 26 PRO HB2 1 65 PHE QE . . 4.540 3.809 3.327 4.165 . 0 0 "[ . 1 . 2]" 1
162 1 26 PRO HB2 1 65 PHE HZ . . 5.240 5.250 5.026 5.340 0.100 6 0 "[ . 1 . 2]" 1
163 1 26 PRO HD2 1 27 CYS H . . 4.880 2.898 2.505 3.190 . 0 0 "[ . 1 . 2]" 1
164 1 26 PRO HD2 1 65 PHE QE . . 5.350 4.244 3.929 4.929 . 0 0 "[ . 1 . 2]" 1
165 1 26 PRO HD2 1 65 PHE HZ . . 6.000 5.024 4.343 5.522 . 0 0 "[ . 1 . 2]" 1
166 1 26 PRO HD3 1 65 PHE QE . . 4.580 2.681 2.326 3.477 . 0 0 "[ . 1 . 2]" 1
167 1 26 PRO HD3 1 65 PHE HZ . . 5.320 3.925 2.929 4.492 . 0 0 "[ . 1 . 2]" 1
168 1 26 PRO QG 1 27 CYS H . . 3.680 2.235 1.910 2.428 . 0 0 "[ . 1 . 2]" 1
169 1 26 PRO QG 1 28 CYS H . . 4.370 4.468 4.427 4.497 0.127 3 0 "[ . 1 . 2]" 1
170 1 27 CYS H 1 27 CYS HB3 . . 3.950 2.442 2.286 2.618 . 0 0 "[ . 1 . 2]" 1
171 1 27 CYS H 1 28 CYS H . . 4.180 2.458 2.190 2.719 . 0 0 "[ . 1 . 2]" 1
172 1 27 CYS HA 1 27 CYS HB3 . . 2.930 2.465 2.405 2.516 . 0 0 "[ . 1 . 2]" 1
173 1 28 CYS H 1 28 CYS HB3 . . 3.490 3.541 3.497 3.585 0.095 14 0 "[ . 1 . 2]" 1
174 1 28 CYS H 1 29 ALA H . . 3.340 2.432 2.170 2.693 . 0 0 "[ . 1 . 2]" 1
175 1 28 CYS H 1 29 ALA MB . . 4.760 4.012 3.787 4.375 . 0 0 "[ . 1 . 2]" 1
176 1 28 CYS HB2 1 29 ALA H . . 5.720 3.285 2.733 3.758 . 0 0 "[ . 1 . 2]" 1
177 1 28 CYS HB3 1 29 ALA H . . 4.760 3.999 3.563 4.255 . 0 0 "[ . 1 . 2]" 1
178 1 29 ALA H 1 65 PHE QE . . 5.010 4.476 4.109 4.692 . 0 0 "[ . 1 . 2]" 1
179 1 29 ALA HA 1 30 CYS H . . 3.150 2.465 2.250 3.324 0.174 18 0 "[ . 1 . 2]" 1
180 1 29 ALA HA 1 63 LEU MD2 . . 3.840 3.720 3.376 3.891 0.051 8 0 "[ . 1 . 2]" 1
181 1 29 ALA MB 1 30 CYS H . . 4.080 2.622 2.380 2.864 . 0 0 "[ . 1 . 2]" 1
182 1 29 ALA MB 1 30 CYS HB3 . . 5.200 4.915 4.701 5.200 0.000 18 0 "[ . 1 . 2]" 1
183 1 29 ALA MB 1 31 PRO HD3 . . 5.370 4.604 4.278 4.947 . 0 0 "[ . 1 . 2]" 1
184 1 29 ALA MB 1 56 HIS HE1 . . 5.420 4.342 3.595 5.440 0.020 18 0 "[ . 1 . 2]" 1
185 1 29 ALA MB 1 63 LEU MD2 . . 4.500 2.315 1.903 2.725 . 0 0 "[ . 1 . 2]" 1
186 1 29 ALA MB 1 65 PHE QD . . 4.000 3.219 2.658 4.014 0.014 2 0 "[ . 1 . 2]" 1
187 1 29 ALA MB 1 65 PHE QE . . 3.580 2.175 1.933 2.717 . 0 0 "[ . 1 . 2]" 1
188 1 29 ALA MB 1 65 PHE HZ . . 4.180 2.897 2.049 3.504 . 0 0 "[ . 1 . 2]" 1
189 1 30 CYS H 1 31 PRO HD2 . . 4.380 3.810 3.321 4.377 . 0 0 "[ . 1 . 2]" 1
190 1 30 CYS H 1 31 PRO HD3 . . 4.160 2.835 2.515 3.335 . 0 0 "[ . 1 . 2]" 1
191 1 30 CYS H 1 63 LEU MD2 . . 4.000 3.485 2.558 4.079 0.079 18 0 "[ . 1 . 2]" 1
192 1 30 CYS HA 1 31 PRO HD2 . . 3.200 2.503 2.328 2.754 . 0 0 "[ . 1 . 2]" 1
193 1 30 CYS HA 1 34 LYS H . . 5.090 4.926 4.800 5.006 . 0 0 "[ . 1 . 2]" 1
194 1 30 CYS HB2 1 33 THR H . . 5.000 4.878 4.489 5.020 0.020 18 0 "[ . 1 . 2]" 1
195 1 30 CYS HB2 1 56 HIS HE1 . . 3.560 2.522 2.273 3.084 . 0 0 "[ . 1 . 2]" 1
196 1 30 CYS HB2 1 59 CYS HB2 . . 5.000 4.876 4.647 5.025 0.025 12 0 "[ . 1 . 2]" 1
197 1 30 CYS HB2 1 59 CYS HB3 . . 4.000 3.322 3.031 3.518 . 0 0 "[ . 1 . 2]" 1
198 1 30 CYS HB2 1 60 MET H . . 4.500 3.543 3.220 3.805 . 0 0 "[ . 1 . 2]" 1
199 1 30 CYS HB3 1 56 HIS HA . . 4.500 3.986 3.659 4.176 . 0 0 "[ . 1 . 2]" 1
200 1 30 CYS HB3 1 56 HIS HE1 . . 3.120 3.174 3.144 3.195 0.075 9 0 "[ . 1 . 2]" 1
201 1 30 CYS HB3 1 59 CYS H . . 6.000 5.538 5.338 5.715 . 0 0 "[ . 1 . 2]" 1
202 1 30 CYS HB3 1 60 MET H . . 5.000 4.287 4.055 4.549 . 0 0 "[ . 1 . 2]" 1
203 1 31 PRO HA 1 34 LYS HB3 . . 3.200 2.255 2.116 2.424 . 0 0 "[ . 1 . 2]" 1
204 1 31 PRO HA 1 34 LYS HG2 . . 4.460 4.492 4.461 4.526 0.066 20 0 "[ . 1 . 2]" 1
205 1 31 PRO HA 1 35 LYS H . . 4.320 3.772 3.444 3.952 . 0 0 "[ . 1 . 2]" 1
206 1 31 PRO HD2 1 32 GLU H . . 4.280 2.476 2.277 2.694 . 0 0 "[ . 1 . 2]" 1
207 1 31 PRO HD3 1 32 GLU H . . 4.760 3.752 3.627 3.884 . 0 0 "[ . 1 . 2]" 1
208 1 31 PRO HD3 1 32 GLU HG2 . . 4.320 4.396 4.359 4.446 0.126 11 0 "[ . 1 . 2]" 1
209 1 31 PRO HG2 1 32 GLU H . . 3.920 2.762 2.455 3.343 . 0 0 "[ . 1 . 2]" 1
210 1 32 GLU H 1 32 GLU QB . . 3.670 2.569 2.346 2.760 . 0 0 "[ . 1 . 2]" 1
211 1 32 GLU H 1 32 GLU HG2 . . 4.690 2.076 1.759 2.646 . 0 0 "[ . 1 . 2]" 1
212 1 32 GLU H 1 32 GLU HG3 . . 4.910 3.331 1.997 3.912 . 0 0 "[ . 1 . 2]" 1
213 1 32 GLU H 1 33 THR H . . 4.120 2.895 2.418 3.429 . 0 0 "[ . 1 . 2]" 1
214 1 32 GLU HA 1 32 GLU HG2 . . 3.560 3.450 3.011 3.701 0.141 5 0 "[ . 1 . 2]" 1
215 1 32 GLU HA 1 32 GLU HG3 . . 3.930 3.821 3.612 4.083 0.153 14 0 "[ . 1 . 2]" 1
216 1 32 GLU HA 1 35 LYS H . . 4.270 3.516 2.805 4.233 . 0 0 "[ . 1 . 2]" 1
217 1 32 GLU QB 1 33 THR H . . 4.010 2.750 2.330 3.414 . 0 0 "[ . 1 . 2]" 1
218 1 33 THR H 1 33 THR HB . . 3.970 3.593 3.400 3.651 . 0 0 "[ . 1 . 2]" 1
219 1 33 THR H 1 33 THR MG . . 3.960 2.853 2.674 3.289 . 0 0 "[ . 1 . 2]" 1
220 1 33 THR H 1 34 LYS H . . 3.540 2.604 2.486 2.759 . 0 0 "[ . 1 . 2]" 1
221 1 33 THR HA 1 33 THR MG . . 3.050 2.251 2.183 2.292 . 0 0 "[ . 1 . 2]" 1
222 1 33 THR HA 1 35 LYS H . . 4.820 4.480 4.257 4.762 . 0 0 "[ . 1 . 2]" 1
223 1 33 THR HA 1 36 ALA H . . 3.830 3.218 3.044 3.484 . 0 0 "[ . 1 . 2]" 1
224 1 33 THR HA 1 36 ALA MB . . 3.170 2.292 2.139 2.680 . 0 0 "[ . 1 . 2]" 1
225 1 33 THR HB 1 34 LYS H . . 3.970 3.622 3.194 3.799 . 0 0 "[ . 1 . 2]" 1
226 1 33 THR HB 1 34 LYS HA . . 4.680 4.432 4.167 4.585 . 0 0 "[ . 1 . 2]" 1
227 1 33 THR HB 1 56 HIS H . . 4.550 3.816 3.533 4.022 . 0 0 "[ . 1 . 2]" 1
228 1 33 THR HB 1 56 HIS HA . . 3.370 2.329 2.129 2.554 . 0 0 "[ . 1 . 2]" 1
229 1 33 THR HB 1 56 HIS HB2 . . 4.810 2.153 2.095 2.224 . 0 0 "[ . 1 . 2]" 1
230 1 33 THR HB 1 56 HIS HB3 . . 3.610 3.688 3.670 3.702 0.092 20 0 "[ . 1 . 2]" 1
231 1 33 THR MG 1 55 ALA HA . . 4.920 4.818 4.488 4.951 0.031 8 0 "[ . 1 . 2]" 1
232 1 33 THR MG 1 55 ALA MB . . 3.540 3.136 2.688 3.292 . 0 0 "[ . 1 . 2]" 1
233 1 33 THR MG 1 56 HIS H . . 4.390 3.924 3.470 4.118 . 0 0 "[ . 1 . 2]" 1
234 1 33 THR MG 1 56 HIS HA . . 3.940 2.706 2.530 2.846 . 0 0 "[ . 1 . 2]" 1
235 1 33 THR MG 1 56 HIS HB3 . . 4.950 4.690 4.280 4.844 . 0 0 "[ . 1 . 2]" 1
236 1 33 THR MG 1 59 CYS HB2 . . 3.720 3.254 2.576 3.726 0.006 10 0 "[ . 1 . 2]" 1
237 1 33 THR MG 1 59 CYS HB3 . . 4.240 3.685 3.288 4.085 . 0 0 "[ . 1 . 2]" 1
238 1 34 LYS H 1 34 LYS HB2 . . 3.270 2.211 2.119 2.377 . 0 0 "[ . 1 . 2]" 1
239 1 34 LYS H 1 34 LYS HB3 . . 3.020 2.855 2.618 2.998 . 0 0 "[ . 1 . 2]" 1
240 1 34 LYS H 1 34 LYS HG2 . . 4.610 4.214 4.012 4.504 . 0 0 "[ . 1 . 2]" 1
241 1 34 LYS H 1 34 LYS HG3 . . 4.440 4.424 4.270 4.462 0.022 10 0 "[ . 1 . 2]" 1
242 1 34 LYS H 1 35 LYS H . . 3.790 2.920 2.795 3.036 . 0 0 "[ . 1 . 2]" 1
243 1 34 LYS H 1 56 HIS HE1 . . 4.330 3.177 2.943 3.441 . 0 0 "[ . 1 . 2]" 1
244 1 34 LYS HA 1 34 LYS HB3 . . 2.910 2.978 2.969 2.987 0.077 17 0 "[ . 1 . 2]" 1
245 1 34 LYS HA 1 34 LYS HG2 . . 3.440 2.398 2.290 2.632 . 0 0 "[ . 1 . 2]" 1
246 1 34 LYS HA 1 34 LYS HG3 . . 3.590 3.495 2.812 3.629 0.039 10 0 "[ . 1 . 2]" 1
247 1 34 LYS HA 1 36 ALA H . . 4.580 4.599 4.560 4.620 0.040 10 0 "[ . 1 . 2]" 1
248 1 34 LYS HA 1 37 ARG H . . 3.770 3.483 3.200 3.676 . 0 0 "[ . 1 . 2]" 1
249 1 34 LYS HA 1 37 ARG HB2 . . 3.640 3.045 2.516 3.358 . 0 0 "[ . 1 . 2]" 1
250 1 34 LYS HA 1 38 ASP H . . 4.300 3.916 3.747 4.172 . 0 0 "[ . 1 . 2]" 1
251 1 34 LYS HA 1 56 HIS HD2 . . 5.160 3.790 3.571 4.066 . 0 0 "[ . 1 . 2]" 1
252 1 34 LYS HA 1 56 HIS HE1 . . 4.480 3.724 3.457 3.944 . 0 0 "[ . 1 . 2]" 1
253 1 34 LYS HB2 1 35 LYS H . . 3.610 3.592 3.476 3.651 0.041 17 0 "[ . 1 . 2]" 1
254 1 34 LYS HB2 1 56 HIS HE1 . . 3.420 2.468 2.304 2.606 . 0 0 "[ . 1 . 2]" 1
255 1 34 LYS HB3 1 35 LYS H . . 3.360 2.464 2.185 2.606 . 0 0 "[ . 1 . 2]" 1
256 1 34 LYS HB3 1 56 HIS HE1 . . 4.310 4.203 3.956 4.319 0.009 18 0 "[ . 1 . 2]" 1
257 1 34 LYS HD3 1 35 LYS HA . . 4.330 4.166 3.512 4.391 0.061 20 0 "[ . 1 . 2]" 1
258 1 34 LYS HE2 1 34 LYS HG2 . . 3.650 2.616 2.313 3.665 0.015 16 0 "[ . 1 . 2]" 1
259 1 34 LYS HG2 1 37 ARG HE . . 5.150 4.393 3.651 4.818 . 0 0 "[ . 1 . 2]" 1
260 1 34 LYS HG2 1 56 HIS HE1 . . 4.810 3.707 3.045 4.837 0.027 11 0 "[ . 1 . 2]" 1
261 1 34 LYS HG3 1 56 HIS HE1 . . 4.880 3.762 3.349 4.077 . 0 0 "[ . 1 . 2]" 1
262 1 35 LYS H 1 35 LYS HB2 . . 3.220 2.112 1.928 2.309 . 0 0 "[ . 1 . 2]" 1
263 1 35 LYS H 1 35 LYS HB3 . . 3.180 2.985 2.427 3.334 0.154 9 0 "[ . 1 . 2]" 1
264 1 35 LYS H 1 35 LYS HG2 . . 4.860 4.306 3.600 4.647 . 0 0 "[ . 1 . 2]" 1
265 1 35 LYS H 1 35 LYS HG3 . . 4.530 3.768 2.609 4.466 . 0 0 "[ . 1 . 2]" 1
266 1 35 LYS H 1 36 ALA H . . 3.430 2.761 2.453 2.919 . 0 0 "[ . 1 . 2]" 1
267 1 35 LYS H 1 36 ALA MB . . 5.050 4.415 4.201 4.546 . 0 0 "[ . 1 . 2]" 1
268 1 35 LYS HA 1 35 LYS QD . . 3.620 3.614 2.463 3.778 0.158 2 0 "[ . 1 . 2]" 1
269 1 35 LYS HA 1 35 LYS HG2 . . 3.490 2.736 2.091 3.271 . 0 0 "[ . 1 . 2]" 1
270 1 35 LYS HA 1 35 LYS HG3 . . 3.980 2.555 2.012 3.692 . 0 0 "[ . 1 . 2]" 1
271 1 35 LYS HA 1 37 ARG H . . 4.710 4.578 4.077 4.714 0.004 13 0 "[ . 1 . 2]" 1
272 1 35 LYS HA 1 38 ASP H . . 3.990 3.808 2.926 4.010 0.020 2 0 "[ . 1 . 2]" 1
273 1 35 LYS HA 1 38 ASP QB . . 3.360 2.980 2.199 3.351 . 0 0 "[ . 1 . 2]" 1
274 1 35 LYS HA 1 39 ALA H . . 4.090 3.992 3.658 4.113 0.023 20 0 "[ . 1 . 2]" 1
275 1 35 LYS HB2 1 36 ALA H . . 3.350 3.187 2.608 3.483 0.133 16 0 "[ . 1 . 2]" 1
276 1 35 LYS HB3 1 35 LYS QD . . 2.650 2.504 2.125 2.773 0.123 16 0 "[ . 1 . 2]" 1
277 1 35 LYS HB3 1 36 ALA H . . 3.970 2.616 2.068 3.361 . 0 0 "[ . 1 . 2]" 1
278 1 35 LYS QD 1 36 ALA H . . 5.500 4.467 3.089 5.227 . 0 0 "[ . 1 . 2]" 1
279 1 35 LYS HG3 1 36 ALA H . . 4.830 4.744 4.469 4.913 0.083 10 0 "[ . 1 . 2]" 1
280 1 36 ALA H 1 36 ALA MB . . 2.940 2.230 2.190 2.291 . 0 0 "[ . 1 . 2]" 1
281 1 36 ALA H 1 37 ARG H . . 3.390 2.790 2.688 2.921 . 0 0 "[ . 1 . 2]" 1
282 1 36 ALA H 1 38 ASP H . . 4.890 4.428 4.243 4.518 . 0 0 "[ . 1 . 2]" 1
283 1 36 ALA HA 1 37 ARG HA . . 4.860 4.886 4.876 4.898 0.038 8 0 "[ . 1 . 2]" 1
284 1 36 ALA HA 1 52 LEU QD . . 5.090 3.681 3.581 3.796 . 0 0 "[ . 1 . 2]" 1
285 1 36 ALA MB 1 37 ARG H . . 3.450 2.641 2.531 2.734 . 0 0 "[ . 1 . 2]" 1
286 1 36 ALA MB 1 52 LEU QD . . 3.510 2.064 1.990 2.185 . 0 0 "[ . 1 . 2]" 1
287 1 37 ARG H 1 37 ARG HB2 . . 3.000 2.312 2.235 2.377 . 0 0 "[ . 1 . 2]" 1
288 1 37 ARG H 1 37 ARG HB3 . . 3.240 2.709 2.617 2.780 . 0 0 "[ . 1 . 2]" 1
289 1 37 ARG H 1 38 ASP H . . 3.450 2.778 2.711 2.824 . 0 0 "[ . 1 . 2]" 1
290 1 37 ARG H 1 38 ASP QB . . 4.660 4.667 4.624 4.681 0.021 16 0 "[ . 1 . 2]" 1
291 1 37 ARG H 1 52 LEU MD1 . . 4.800 2.933 2.833 3.001 . 0 0 "[ . 1 . 2]" 1
292 1 37 ARG H 1 52 LEU QD . . 4.820 2.921 2.823 2.988 . 0 0 "[ . 1 . 2]" 1
293 1 37 ARG H 1 52 LEU HG . . 4.690 4.671 4.566 4.711 0.021 16 0 "[ . 1 . 2]" 1
294 1 37 ARG HA 1 37 ARG HD2 . . 5.030 4.808 4.675 4.922 . 0 0 "[ . 1 . 2]" 1
295 1 37 ARG HA 1 40 CYS H . . 4.540 3.714 3.592 3.850 . 0 0 "[ . 1 . 2]" 1
296 1 37 ARG HA 1 40 CYS HB2 . . 4.100 3.265 3.028 3.362 . 0 0 "[ . 1 . 2]" 1
297 1 37 ARG HA 1 40 CYS HB3 . . 3.700 3.284 3.078 3.394 . 0 0 "[ . 1 . 2]" 1
298 1 37 ARG HA 1 52 LEU HA . . 4.490 4.537 4.513 4.559 0.069 13 0 "[ . 1 . 2]" 1
299 1 37 ARG HA 1 52 LEU HB3 . . 3.140 2.209 2.116 2.308 . 0 0 "[ . 1 . 2]" 1
300 1 37 ARG HA 1 52 LEU QD . . 4.610 2.373 2.313 2.488 . 0 0 "[ . 1 . 2]" 1
301 1 37 ARG HA 1 52 LEU HG . . 3.390 2.802 2.705 2.967 . 0 0 "[ . 1 . 2]" 1
302 1 37 ARG HB2 1 37 ARG HD3 . . 4.210 2.792 2.620 3.030 . 0 0 "[ . 1 . 2]" 1
303 1 37 ARG HB2 1 37 ARG HE . . 4.250 3.823 3.582 3.965 . 0 0 "[ . 1 . 2]" 1
304 1 37 ARG HB2 1 38 ASP H . . 3.450 3.476 3.455 3.495 0.045 10 0 "[ . 1 . 2]" 1
305 1 37 ARG HB2 1 56 HIS HD2 . . 6.000 3.635 3.286 3.948 . 0 0 "[ . 1 . 2]" 1
306 1 37 ARG HB3 1 37 ARG HD3 . . 3.960 2.613 2.393 2.905 . 0 0 "[ . 1 . 2]" 1
307 1 37 ARG HB3 1 37 ARG HE . . 4.820 2.382 2.109 2.579 . 0 0 "[ . 1 . 2]" 1
308 1 37 ARG HB3 1 38 ASP H . . 3.820 2.172 2.107 2.243 . 0 0 "[ . 1 . 2]" 1
309 1 37 ARG HD2 1 41 ILE MD . . 5.250 3.549 2.845 4.288 . 0 0 "[ . 1 . 2]" 1
310 1 37 ARG HD2 1 53 ILE HA . . 3.910 2.744 2.406 3.232 . 0 0 "[ . 1 . 2]" 1
311 1 37 ARG HD2 1 53 ILE HG12 . . 4.700 2.169 2.046 2.393 . 0 0 "[ . 1 . 2]" 1
312 1 37 ARG HD2 1 53 ILE MG . . 3.730 2.545 2.215 3.173 . 0 0 "[ . 1 . 2]" 1
313 1 37 ARG HD2 1 56 HIS HD2 . . 4.470 3.096 2.681 3.721 . 0 0 "[ . 1 . 2]" 1
314 1 37 ARG HD3 1 53 ILE MD . . 5.000 5.034 4.860 5.075 0.075 2 0 "[ . 1 . 2]" 1
315 1 37 ARG HD3 1 53 ILE HG12 . . 3.990 3.793 3.561 4.074 0.084 20 0 "[ . 1 . 2]" 1
316 1 37 ARG HD3 1 53 ILE HG13 . . 4.640 4.309 3.519 4.671 0.031 14 0 "[ . 1 . 2]" 1
317 1 37 ARG HD3 1 53 ILE MG . . 4.000 3.618 2.920 4.011 0.011 12 0 "[ . 1 . 2]" 1
318 1 37 ARG HD3 1 56 HIS HD2 . . 4.860 2.032 1.935 2.189 . 0 0 "[ . 1 . 2]" 1
319 1 37 ARG HE 1 37 ARG HG2 . . 4.130 2.885 2.785 3.028 . 0 0 "[ . 1 . 2]" 1
320 1 37 ARG HE 1 38 ASP H . . 4.380 3.440 3.109 3.627 . 0 0 "[ . 1 . 2]" 1
321 1 37 ARG HE 1 38 ASP HA . . 4.870 3.653 3.480 3.770 . 0 0 "[ . 1 . 2]" 1
322 1 37 ARG HE 1 41 ILE MD . . 4.720 2.760 2.584 3.184 . 0 0 "[ . 1 . 2]" 1
323 1 37 ARG HE 1 53 ILE HG12 . . 6.000 4.570 4.119 5.075 . 0 0 "[ . 1 . 2]" 1
324 1 37 ARG HE 1 53 ILE HG13 . . 6.000 5.157 4.410 6.013 0.013 9 0 "[ . 1 . 2]" 1
325 1 37 ARG HG2 1 38 ASP H . . 4.950 3.945 3.823 4.072 . 0 0 "[ . 1 . 2]" 1
326 1 37 ARG HG2 1 38 ASP HA . . 4.380 4.220 4.059 4.390 0.010 12 0 "[ . 1 . 2]" 1
327 1 37 ARG HG2 1 41 ILE MD . . 3.780 2.499 2.287 2.988 . 0 0 "[ . 1 . 2]" 1
328 1 37 ARG HG2 1 53 ILE HA . . 4.020 3.642 3.477 3.847 . 0 0 "[ . 1 . 2]" 1
329 1 37 ARG HG2 1 56 HIS HD2 . . 4.640 4.743 4.700 4.797 0.157 2 0 "[ . 1 . 2]" 1
330 1 37 ARG HG3 1 52 LEU QD . . 3.660 3.662 3.584 3.676 0.016 13 0 "[ . 1 . 2]" 1
331 1 37 ARG HG3 1 53 ILE H . . 4.520 3.728 3.552 4.016 . 0 0 "[ . 1 . 2]" 1
332 1 37 ARG HG3 1 53 ILE HA . . 3.900 2.172 2.084 2.317 . 0 0 "[ . 1 . 2]" 1
333 1 37 ARG HG3 1 53 ILE HG12 . . 4.510 3.020 2.587 3.548 . 0 0 "[ . 1 . 2]" 1
334 1 38 ASP H 1 38 ASP QB . . 3.060 2.345 2.290 2.509 . 0 0 "[ . 1 . 2]" 1
335 1 38 ASP H 1 39 ALA H . . 3.340 2.847 2.739 2.953 . 0 0 "[ . 1 . 2]" 1
336 1 38 ASP H 1 39 ALA MB . . 4.850 4.481 4.382 4.572 . 0 0 "[ . 1 . 2]" 1
337 1 38 ASP H 1 40 CYS H . . 4.610 4.290 4.143 4.441 . 0 0 "[ . 1 . 2]" 1
338 1 38 ASP H 1 41 ILE MD . . 5.360 3.787 3.575 4.239 . 0 0 "[ . 1 . 2]" 1
339 1 38 ASP HA 1 40 CYS H . . 4.670 4.342 4.107 4.499 . 0 0 "[ . 1 . 2]" 1
340 1 38 ASP HA 1 41 ILE H . . 3.480 3.109 2.954 3.416 . 0 0 "[ . 1 . 2]" 1
341 1 38 ASP HA 1 41 ILE HB . . 3.200 2.318 2.137 2.854 . 0 0 "[ . 1 . 2]" 1
342 1 38 ASP HA 1 41 ILE MD . . 3.550 2.094 2.012 2.255 . 0 0 "[ . 1 . 2]" 1
343 1 38 ASP HA 1 41 ILE HG12 . . 4.790 4.481 4.309 4.754 . 0 0 "[ . 1 . 2]" 1
344 1 38 ASP HA 1 42 ILE H . . 4.500 4.153 3.976 4.527 0.027 9 0 "[ . 1 . 2]" 1
345 1 38 ASP QB 1 39 ALA H . . 3.210 2.872 2.643 2.997 . 0 0 "[ . 1 . 2]" 1
346 1 38 ASP QB 1 39 ALA HA . . 4.720 4.255 4.089 4.361 . 0 0 "[ . 1 . 2]" 1
347 1 38 ASP QB 1 39 ALA MB . . 4.440 4.143 3.953 4.265 . 0 0 "[ . 1 . 2]" 1
348 1 38 ASP QB 1 41 ILE MD . . 4.230 3.834 3.605 4.055 . 0 0 "[ . 1 . 2]" 1
349 1 38 ASP QB 1 42 ILE MD . . 4.360 3.672 3.398 4.108 . 0 0 "[ . 1 . 2]" 1
350 1 39 ALA H 1 39 ALA MB . . 2.870 2.222 2.206 2.235 . 0 0 "[ . 1 . 2]" 1
351 1 39 ALA H 1 40 CYS H . . 3.120 2.787 2.674 2.920 . 0 0 "[ . 1 . 2]" 1
352 1 39 ALA H 1 41 ILE H . . 4.700 4.069 3.962 4.233 . 0 0 "[ . 1 . 2]" 1
353 1 39 ALA HA 1 42 ILE H . . 4.300 3.113 3.023 3.199 . 0 0 "[ . 1 . 2]" 1
354 1 39 ALA HA 1 42 ILE HB . . 3.190 2.426 2.280 2.636 . 0 0 "[ . 1 . 2]" 1
355 1 39 ALA HA 1 42 ILE MD . . 3.500 2.285 2.163 2.373 . 0 0 "[ . 1 . 2]" 1
356 1 39 ALA HA 1 42 ILE HG12 . . 4.630 4.650 4.632 4.661 0.031 2 0 "[ . 1 . 2]" 1
357 1 39 ALA MB 1 40 CYS H . . 3.340 2.610 2.499 2.699 . 0 0 "[ . 1 . 2]" 1
358 1 39 ALA MB 1 42 ILE H . . 5.330 4.436 4.371 4.523 . 0 0 "[ . 1 . 2]" 1
359 1 40 CYS H 1 40 CYS HB2 . . 3.130 2.103 2.023 2.209 . 0 0 "[ . 1 . 2]" 1
360 1 40 CYS H 1 40 CYS HB3 . . 3.110 2.735 2.588 2.849 . 0 0 "[ . 1 . 2]" 1
361 1 40 CYS H 1 41 ILE H . . 3.340 2.701 2.665 2.733 . 0 0 "[ . 1 . 2]" 1
362 1 40 CYS H 1 41 ILE HA . . 5.330 5.350 5.332 5.370 0.040 6 0 "[ . 1 . 2]" 1
363 1 40 CYS H 1 41 ILE HB . . 6.000 4.748 4.647 4.867 . 0 0 "[ . 1 . 2]" 1
364 1 40 CYS H 1 41 ILE HG13 . . 6.000 4.384 4.193 4.481 . 0 0 "[ . 1 . 2]" 1
365 1 40 CYS H 1 52 LEU HG . . 3.940 3.854 3.696 3.945 0.005 3 0 "[ . 1 . 2]" 1
366 1 40 CYS HA 1 40 CYS HB3 . . 2.940 2.997 2.989 3.007 0.067 9 0 "[ . 1 . 2]" 1
367 1 40 CYS HA 1 43 GLU H . . 4.060 3.379 3.227 3.537 . 0 0 "[ . 1 . 2]" 1
368 1 40 CYS HA 1 43 GLU HB2 . . 3.920 2.570 2.419 3.095 . 0 0 "[ . 1 . 2]" 1
369 1 40 CYS HA 1 43 GLU HB3 . . 3.980 3.865 2.960 4.034 0.054 17 0 "[ . 1 . 2]" 1
370 1 40 CYS HA 1 44 LYS H . . 4.390 4.258 4.094 4.429 0.039 18 0 "[ . 1 . 2]" 1
371 1 40 CYS HB2 1 41 ILE H . . 3.610 3.638 3.618 3.653 0.043 4 0 "[ . 1 . 2]" 1
372 1 40 CYS HB2 1 41 ILE HG13 . . 4.440 4.476 4.458 4.493 0.053 16 0 "[ . 1 . 2]" 1
373 1 40 CYS HB2 1 49 CYS HB3 . . 4.560 4.107 3.932 4.300 . 0 0 "[ . 1 . 2]" 1
374 1 40 CYS HB2 1 52 LEU HG . . 3.370 2.143 2.066 2.226 . 0 0 "[ . 1 . 2]" 1
375 1 40 CYS HB3 1 41 ILE H . . 3.900 2.694 2.461 2.825 . 0 0 "[ . 1 . 2]" 1
376 1 40 CYS HB3 1 52 LEU HG . . 3.100 3.129 3.107 3.156 0.056 9 0 "[ . 1 . 2]" 1
377 1 41 ILE H 1 41 ILE HB . . 3.060 2.319 2.249 2.450 . 0 0 "[ . 1 . 2]" 1
378 1 41 ILE H 1 41 ILE MD . . 4.080 3.289 3.142 3.449 . 0 0 "[ . 1 . 2]" 1
379 1 41 ILE H 1 41 ILE HG12 . . 3.870 3.626 3.376 3.724 . 0 0 "[ . 1 . 2]" 1
380 1 41 ILE H 1 41 ILE HG13 . . 3.220 2.285 2.070 2.395 . 0 0 "[ . 1 . 2]" 1
381 1 41 ILE H 1 41 ILE MG . . 3.690 3.722 3.708 3.741 0.051 16 0 "[ . 1 . 2]" 1
382 1 41 ILE H 1 42 ILE H . . 3.540 2.636 2.589 2.711 . 0 0 "[ . 1 . 2]" 1
383 1 41 ILE H 1 42 ILE HA . . 5.320 5.323 5.294 5.355 0.035 8 0 "[ . 1 . 2]" 1
384 1 41 ILE H 1 46 GLU HA . . 5.110 5.043 4.956 5.128 0.018 10 0 "[ . 1 . 2]" 1
385 1 41 ILE HA 1 41 ILE HG12 . . 3.490 2.548 2.476 2.613 . 0 0 "[ . 1 . 2]" 1
386 1 41 ILE HA 1 41 ILE HG13 . . 3.670 2.730 2.625 2.975 . 0 0 "[ . 1 . 2]" 1
387 1 41 ILE HA 1 41 ILE MG . . 3.290 2.534 2.437 2.613 . 0 0 "[ . 1 . 2]" 1
388 1 41 ILE HA 1 44 LYS H . . 4.320 3.297 3.143 3.516 . 0 0 "[ . 1 . 2]" 1
389 1 41 ILE HA 1 45 GLY H . . 3.340 2.253 2.068 2.381 . 0 0 "[ . 1 . 2]" 1
390 1 41 ILE HA 1 45 GLY HA2 . . 4.120 2.619 2.489 2.749 . 0 0 "[ . 1 . 2]" 1
391 1 41 ILE HA 1 45 GLY HA3 . . 4.480 3.968 3.858 4.070 . 0 0 "[ . 1 . 2]" 1
392 1 41 ILE HA 1 46 GLU H . . 4.430 3.953 3.611 4.274 . 0 0 "[ . 1 . 2]" 1
393 1 41 ILE HA 1 46 GLU HA . . 4.280 3.657 3.469 3.811 . 0 0 "[ . 1 . 2]" 1
394 1 41 ILE HA 1 46 GLU QG . . 4.820 4.618 4.321 4.848 0.028 9 0 "[ . 1 . 2]" 1
395 1 41 ILE HB 1 45 GLY HA2 . . 4.620 4.648 4.627 4.665 0.045 10 0 "[ . 1 . 2]" 1
396 1 41 ILE MD 1 45 GLY H . . 5.650 5.552 5.378 5.689 0.039 13 0 "[ . 1 . 2]" 1
397 1 41 ILE HG12 1 46 GLU H . . 4.760 3.061 2.599 3.697 . 0 0 "[ . 1 . 2]" 1
398 1 41 ILE HG12 1 46 GLU HA . . 3.270 2.203 1.978 2.381 . 0 0 "[ . 1 . 2]" 1
399 1 41 ILE HG12 1 46 GLU QG . . 4.520 2.619 2.456 2.844 . 0 0 "[ . 1 . 2]" 1
400 1 41 ILE HG12 1 49 CYS HB3 . . 4.470 4.237 3.822 4.496 0.026 11 0 "[ . 1 . 2]" 1
401 1 41 ILE HG13 1 46 GLU HA . . 3.980 3.049 2.870 3.459 . 0 0 "[ . 1 . 2]" 1
402 1 41 ILE HG13 1 49 CYS HB2 . . 4.800 3.834 3.468 4.290 . 0 0 "[ . 1 . 2]" 1
403 1 41 ILE HG13 1 49 CYS HB3 . . 4.510 3.523 3.168 4.081 . 0 0 "[ . 1 . 2]" 1
404 1 41 ILE MG 1 42 ILE H . . 4.140 3.531 3.448 3.663 . 0 0 "[ . 1 . 2]" 1
405 1 41 ILE MG 1 45 GLY H . . 4.520 3.620 3.435 3.865 . 0 0 "[ . 1 . 2]" 1
406 1 41 ILE MG 1 45 GLY HA2 . . 3.920 2.159 2.107 2.255 . 0 0 "[ . 1 . 2]" 1
407 1 41 ILE MG 1 45 GLY HA3 . . 3.850 3.686 3.637 3.736 . 0 0 "[ . 1 . 2]" 1
408 1 41 ILE MG 1 46 GLU H . . 3.650 2.873 2.642 3.031 . 0 0 "[ . 1 . 2]" 1
409 1 41 ILE MG 1 47 GLU H . . 5.220 5.173 4.980 5.229 0.009 12 0 "[ . 1 . 2]" 1
410 1 42 ILE H 1 42 ILE HB . . 2.710 2.339 2.263 2.455 . 0 0 "[ . 1 . 2]" 1
411 1 42 ILE H 1 42 ILE MD . . 4.340 3.487 3.307 3.591 . 0 0 "[ . 1 . 2]" 1
412 1 42 ILE H 1 42 ILE HG12 . . 3.840 3.753 3.622 3.850 0.010 10 0 "[ . 1 . 2]" 1
413 1 42 ILE H 1 42 ILE HG13 . . 3.410 2.428 2.303 2.502 . 0 0 "[ . 1 . 2]" 1
414 1 42 ILE H 1 42 ILE MG . . 3.820 3.758 3.725 3.806 . 0 0 "[ . 1 . 2]" 1
415 1 42 ILE H 1 43 GLU H . . 3.340 2.723 2.645 2.813 . 0 0 "[ . 1 . 2]" 1
416 1 42 ILE H 1 44 LYS H . . 4.700 4.406 4.219 4.545 . 0 0 "[ . 1 . 2]" 1
417 1 42 ILE HA 1 42 ILE MD . . 3.950 3.865 3.832 3.900 . 0 0 "[ . 1 . 2]" 1
418 1 42 ILE HA 1 42 ILE HG12 . . 3.230 2.553 2.471 2.617 . 0 0 "[ . 1 . 2]" 1
419 1 42 ILE HA 1 42 ILE HG13 . . 3.450 2.760 2.574 2.893 . 0 0 "[ . 1 . 2]" 1
420 1 42 ILE HA 1 42 ILE MG . . 3.260 2.573 2.493 2.651 . 0 0 "[ . 1 . 2]" 1
421 1 42 ILE HB 1 43 GLU H . . 3.230 2.884 2.644 2.975 . 0 0 "[ . 1 . 2]" 1
422 1 42 ILE HG13 1 42 ILE MG . . 3.640 3.247 3.231 3.272 . 0 0 "[ . 1 . 2]" 1
423 1 42 ILE MG 1 43 GLU H . . 4.020 3.349 3.060 3.499 . 0 0 "[ . 1 . 2]" 1
424 1 42 ILE MG 1 43 GLU HA . . 3.690 3.475 3.118 3.621 . 0 0 "[ . 1 . 2]" 1
425 1 42 ILE MG 1 43 GLU HG2 . . 4.620 4.634 4.591 4.661 0.041 18 0 "[ . 1 . 2]" 1
426 1 42 ILE MG 1 43 GLU HG3 . . 5.100 4.098 3.747 4.618 . 0 0 "[ . 1 . 2]" 1
427 1 42 ILE MG 1 44 LYS H . . 5.690 5.221 5.075 5.340 . 0 0 "[ . 1 . 2]" 1
428 1 43 GLU H 1 43 GLU HB2 . . 2.850 2.150 2.011 2.299 . 0 0 "[ . 1 . 2]" 1
429 1 43 GLU H 1 43 GLU HB3 . . 3.350 3.324 2.645 3.459 0.109 9 0 "[ . 1 . 2]" 1
430 1 43 GLU H 1 43 GLU HG2 . . 4.180 3.866 3.529 4.204 0.024 18 0 "[ . 1 . 2]" 1
431 1 43 GLU H 1 43 GLU HG3 . . 4.000 2.906 2.467 4.064 0.064 13 0 "[ . 1 . 2]" 1
432 1 43 GLU H 1 44 LYS H . . 3.040 2.800 2.629 2.967 . 0 0 "[ . 1 . 2]" 1
433 1 43 GLU HA 1 43 GLU HB3 . . 2.740 2.629 2.510 2.900 0.160 13 0 "[ . 1 . 2]" 1
434 1 43 GLU HA 1 43 GLU HG2 . . 3.600 2.581 2.150 2.847 . 0 0 "[ . 1 . 2]" 1
435 1 43 GLU HA 1 43 GLU HG3 . . 3.240 3.075 2.879 3.240 0.000 12 0 "[ . 1 . 2]" 1
436 1 43 GLU HB2 1 43 GLU HG3 . . 2.530 2.433 2.166 2.547 0.017 6 0 "[ . 1 . 2]" 1
437 1 43 GLU HB2 1 44 LYS H . . 3.740 2.763 2.380 3.756 0.016 13 0 "[ . 1 . 2]" 1
438 1 43 GLU HB3 1 43 GLU HG2 . . 2.770 2.498 2.366 2.823 0.053 13 0 "[ . 1 . 2]" 1
439 1 43 GLU HB3 1 44 LYS H . . 3.270 3.156 2.574 3.318 0.048 5 0 "[ . 1 . 2]" 1
440 1 44 LYS H 1 44 LYS HB2 . . 3.620 3.380 2.657 3.739 0.119 4 0 "[ . 1 . 2]" 1
441 1 44 LYS H 1 44 LYS HB3 . . 3.850 3.598 3.370 3.858 0.008 1 0 "[ . 1 . 2]" 1
442 1 44 LYS H 1 44 LYS HD3 . . 4.960 3.541 2.862 4.837 . 0 0 "[ . 1 . 2]" 1
443 1 44 LYS H 1 44 LYS HE2 . . 5.040 4.144 2.549 5.065 0.025 3 0 "[ . 1 . 2]" 1
444 1 44 LYS H 1 44 LYS HG3 . . 4.250 3.849 3.037 4.299 0.049 14 0 "[ . 1 . 2]" 1
445 1 44 LYS H 1 45 GLY H . . 2.880 2.097 1.977 2.208 . 0 0 "[ . 1 . 2]" 1
446 1 44 LYS HA 1 44 LYS HG3 . . 3.570 3.416 2.438 3.899 0.329 13 0 "[ . 1 . 2]" 1
447 1 44 LYS HA 1 48 HIS HD2 . . 4.820 4.438 4.147 4.656 . 0 0 "[ . 1 . 2]" 1
448 1 44 LYS HB2 1 44 LYS HE2 . . 3.430 3.022 2.102 3.626 0.196 7 0 "[ . 1 . 2]" 1
449 1 44 LYS HB2 1 45 GLY H . . 4.450 3.453 2.127 4.205 . 0 0 "[ . 1 . 2]" 1
450 1 44 LYS HB2 1 48 HIS HB2 . . 3.950 2.257 2.132 2.441 . 0 0 "[ . 1 . 2]" 1
451 1 44 LYS HB2 1 48 HIS HB3 . . 3.530 3.056 2.693 3.531 0.001 14 0 "[ . 1 . 2]" 1
452 1 44 LYS HB2 1 48 HIS HD2 . . 4.150 3.146 2.866 3.603 . 0 0 "[ . 1 . 2]" 1
453 1 44 LYS HB3 1 45 GLY H . . 4.770 4.098 2.911 4.646 . 0 0 "[ . 1 . 2]" 1
454 1 44 LYS HB3 1 48 HIS HB2 . . 3.680 3.316 2.239 3.768 0.088 9 0 "[ . 1 . 2]" 1
455 1 44 LYS HB3 1 48 HIS HB3 . . 3.800 3.721 3.211 3.891 0.091 18 0 "[ . 1 . 2]" 1
456 1 44 LYS HB3 1 48 HIS HD2 . . 4.630 3.839 2.262 4.672 0.042 20 0 "[ . 1 . 2]" 1
457 1 44 LYS HE2 1 48 HIS HB2 . . 3.850 3.738 3.202 3.987 0.137 10 0 "[ . 1 . 2]" 1
458 1 44 LYS HG2 1 48 HIS H . . 4.790 4.672 4.168 4.962 0.172 7 0 "[ . 1 . 2]" 1
459 1 45 GLY H 1 46 GLU H . . 4.550 4.428 4.317 4.555 0.005 4 0 "[ . 1 . 2]" 1
460 1 45 GLY HA2 1 46 GLU H . . 3.050 2.516 2.344 2.586 . 0 0 "[ . 1 . 2]" 1
461 1 45 GLY HA2 1 48 HIS HD2 . . 5.240 5.090 4.671 5.291 0.051 7 0 "[ . 1 . 2]" 1
462 1 45 GLY HA3 1 46 GLU H . . 3.300 2.754 2.540 2.878 . 0 0 "[ . 1 . 2]" 1
463 1 45 GLY HA3 1 46 GLU HA . . 4.690 4.680 4.583 4.715 0.025 2 0 "[ . 1 . 2]" 1
464 1 45 GLY HA3 1 47 GLU H . . 4.650 3.870 3.558 4.217 . 0 0 "[ . 1 . 2]" 1
465 1 45 GLY HA3 1 48 HIS HD2 . . 4.630 3.572 3.111 3.818 . 0 0 "[ . 1 . 2]" 1
466 1 46 GLU H 1 46 GLU HB2 . . 3.270 2.981 2.246 3.363 0.093 11 0 "[ . 1 . 2]" 1
467 1 46 GLU H 1 46 GLU HB3 . . 3.640 3.117 2.611 3.451 . 0 0 "[ . 1 . 2]" 1
468 1 46 GLU H 1 47 GLU H . . 3.570 2.633 2.511 2.824 . 0 0 "[ . 1 . 2]" 1
469 1 46 GLU H 1 48 HIS H . . 4.330 4.380 4.345 4.413 0.083 2 0 "[ . 1 . 2]" 1
470 1 46 GLU HA 1 46 GLU HB3 . . 2.970 2.454 2.127 3.022 0.052 20 0 "[ . 1 . 2]" 1
471 1 46 GLU HA 1 46 GLU QG . . 3.490 2.863 2.113 3.298 . 0 0 "[ . 1 . 2]" 1
472 1 46 GLU HA 1 48 HIS H . . 4.050 3.985 3.775 4.095 0.045 20 0 "[ . 1 . 2]" 1
473 1 46 GLU HA 1 49 CYS H . . 3.840 3.564 3.276 3.843 0.003 16 0 "[ . 1 . 2]" 1
474 1 46 GLU HA 1 49 CYS HB3 . . 3.540 3.172 2.874 3.556 0.016 10 0 "[ . 1 . 2]" 1
475 1 46 GLU HB2 1 46 GLU QG . . 2.400 2.275 2.178 2.424 0.024 13 0 "[ . 1 . 2]" 1
476 1 46 GLU HB2 1 47 GLU H . . 4.670 3.535 3.260 4.111 . 0 0 "[ . 1 . 2]" 1
477 1 46 GLU HB3 1 47 GLU H . . 4.280 3.823 2.723 4.319 0.039 5 0 "[ . 1 . 2]" 1
478 1 46 GLU QG 1 47 GLU H . . 4.270 3.503 3.090 4.170 . 0 0 "[ . 1 . 2]" 1
479 1 46 GLU QG 1 47 GLU HA . . 4.740 4.648 4.087 4.829 0.089 5 0 "[ . 1 . 2]" 1
480 1 46 GLU QG 1 53 ILE MD . . 3.840 3.072 1.891 3.846 0.006 19 0 "[ . 1 . 2]" 1
481 1 47 GLU H 1 47 GLU HB2 . . 3.580 3.566 3.524 3.594 0.014 3 0 "[ . 1 . 2]" 1
482 1 47 GLU H 1 47 GLU HB3 . . 2.910 2.407 2.356 2.457 . 0 0 "[ . 1 . 2]" 1
483 1 47 GLU H 1 47 GLU HG2 . . 3.610 2.200 2.093 2.262 . 0 0 "[ . 1 . 2]" 1
484 1 47 GLU H 1 47 GLU HG3 . . 3.550 3.538 3.436 3.571 0.021 18 0 "[ . 1 . 2]" 1
485 1 47 GLU H 1 48 HIS H . . 3.270 2.867 2.787 2.937 . 0 0 "[ . 1 . 2]" 1
486 1 47 GLU H 1 49 CYS H . . 4.340 4.218 4.040 4.349 0.009 15 0 "[ . 1 . 2]" 1
487 1 47 GLU HA 1 47 GLU HB2 . . 2.960 2.427 2.393 2.448 . 0 0 "[ . 1 . 2]" 1
488 1 47 GLU HA 1 47 GLU HB3 . . 2.520 2.460 2.429 2.510 . 0 0 "[ . 1 . 2]" 1
489 1 47 GLU HA 1 47 GLU HG2 . . 3.730 3.712 3.658 3.740 0.010 3 0 "[ . 1 . 2]" 1
490 1 47 GLU HA 1 47 GLU HG3 . . 3.780 3.759 3.698 3.792 0.012 16 0 "[ . 1 . 2]" 1
491 1 47 GLU HA 1 49 CYS H . . 4.240 3.721 3.653 3.817 . 0 0 "[ . 1 . 2]" 1
492 1 47 GLU HB2 1 48 HIS H . . 4.760 4.056 3.902 4.324 . 0 0 "[ . 1 . 2]" 1
493 1 47 GLU HB3 1 48 HIS H . . 4.500 4.129 4.048 4.324 . 0 0 "[ . 1 . 2]" 1
494 1 47 GLU HG2 1 48 HIS H . . 3.840 2.489 2.243 2.750 . 0 0 "[ . 1 . 2]" 1
495 1 47 GLU HG2 1 48 HIS HB2 . . 4.410 4.074 3.809 4.274 . 0 0 "[ . 1 . 2]" 1
496 1 47 GLU HG2 1 48 HIS HD2 . . 4.350 2.663 2.367 3.078 . 0 0 "[ . 1 . 2]" 1
497 1 47 GLU HG2 1 49 CYS H . . 4.890 4.859 4.705 4.906 0.016 9 0 "[ . 1 . 2]" 1
498 1 47 GLU HG3 1 48 HIS H . . 3.700 2.779 2.522 3.144 . 0 0 "[ . 1 . 2]" 1
499 1 47 GLU HG3 1 48 HIS HB2 . . 4.280 4.106 3.867 4.284 0.004 8 0 "[ . 1 . 2]" 1
500 1 47 GLU HG3 1 48 HIS HD2 . . 3.960 2.922 2.599 3.175 . 0 0 "[ . 1 . 2]" 1
501 1 48 HIS H 1 48 HIS HB2 . . 3.590 2.271 2.165 2.374 . 0 0 "[ . 1 . 2]" 1
502 1 48 HIS H 1 48 HIS HB3 . . 3.430 3.507 3.481 3.542 0.112 18 0 "[ . 1 . 2]" 1
503 1 48 HIS H 1 48 HIS HD2 . . 4.450 2.826 2.510 3.220 . 0 0 "[ . 1 . 2]" 1
504 1 48 HIS HA 1 48 HIS HE1 . . 4.820 4.668 4.550 4.822 0.002 2 0 "[ . 1 . 2]" 1
505 1 48 HIS HB2 1 48 HIS HD2 . . 3.870 2.534 2.458 2.580 . 0 0 "[ . 1 . 2]" 1
506 1 48 HIS HB3 1 48 HIS HD2 . . 3.640 3.666 3.596 3.708 0.068 14 0 "[ . 1 . 2]" 1
507 1 49 CYS H 1 49 CYS HB2 . . 3.790 2.151 2.076 2.328 . 0 0 "[ . 1 . 2]" 1
508 1 49 CYS H 1 49 CYS HB3 . . 3.150 3.295 3.268 3.313 0.163 10 0 "[ . 1 . 2]" 1
509 1 49 CYS H 1 50 GLY H . . 3.710 2.366 2.127 2.549 . 0 0 "[ . 1 . 2]" 1
510 1 49 CYS H 1 53 ILE MD . . 4.360 3.706 3.547 3.863 . 0 0 "[ . 1 . 2]" 1
511 1 49 CYS HA 1 51 HIS HE1 . . 3.340 2.384 2.210 2.849 . 0 0 "[ . 1 . 2]" 1
512 1 49 CYS HA 1 52 LEU H . . 4.260 3.691 3.390 4.244 . 0 0 "[ . 1 . 2]" 1
513 1 49 CYS HA 1 52 LEU HB2 . . 4.500 3.500 2.954 4.210 . 0 0 "[ . 1 . 2]" 1
514 1 49 CYS HA 1 52 LEU QD . . 5.140 4.005 3.596 4.481 . 0 0 "[ . 1 . 2]" 1
515 1 49 CYS HA 1 53 ILE MD . . 4.700 4.549 4.101 4.727 0.027 13 0 "[ . 1 . 2]" 1
516 1 49 CYS HB2 1 52 LEU HB2 . . 4.650 4.659 4.568 4.694 0.044 19 0 "[ . 1 . 2]" 1
517 1 49 CYS HB2 1 53 ILE MD . . 3.750 3.389 2.951 3.751 0.001 3 0 "[ . 1 . 2]" 1
518 1 49 CYS HB3 1 52 LEU HB2 . . 4.270 3.049 2.966 3.159 . 0 0 "[ . 1 . 2]" 1
519 1 49 CYS HB3 1 53 ILE MD . . 3.790 3.116 2.339 3.598 . 0 0 "[ . 1 . 2]" 1
520 1 50 GLY HA2 1 53 ILE MD . . 3.810 1.963 1.858 2.036 . 0 0 "[ . 1 . 2]" 1
521 1 50 GLY HA3 1 53 ILE H . . 3.760 3.923 3.887 3.957 0.197 16 0 "[ . 1 . 2]" 1
522 1 50 GLY HA3 1 53 ILE HB . . 3.470 3.492 3.439 3.527 0.057 15 0 "[ . 1 . 2]" 1
523 1 50 GLY HA3 1 53 ILE MD . . 3.910 3.100 2.561 3.313 . 0 0 "[ . 1 . 2]" 1
524 1 50 GLY HA3 1 53 ILE MG . . 4.820 4.744 4.659 4.834 0.014 11 0 "[ . 1 . 2]" 1
525 1 50 GLY HA3 1 54 GLU H . . 5.150 4.302 4.186 4.537 . 0 0 "[ . 1 . 2]" 1
526 1 51 HIS HA 1 51 HIS QB . . 2.600 2.177 2.149 2.193 . 0 0 "[ . 1 . 2]" 1
527 1 51 HIS HA 1 51 HIS HD2 . . 4.820 4.476 4.409 4.554 . 0 0 "[ . 1 . 2]" 1
528 1 51 HIS HA 1 54 GLU H . . 4.110 3.480 3.259 3.564 . 0 0 "[ . 1 . 2]" 1
529 1 51 HIS HA 1 54 GLU HB2 . . 3.500 2.502 2.422 2.576 . 0 0 "[ . 1 . 2]" 1
530 1 51 HIS HA 1 55 ALA H . . 4.230 3.773 3.572 3.951 . 0 0 "[ . 1 . 2]" 1
531 1 51 HIS QB 1 51 HIS HD2 . . 3.290 2.720 2.687 2.758 . 0 0 "[ . 1 . 2]" 1
532 1 51 HIS QB 1 52 LEU H . . 3.960 3.584 3.443 3.695 . 0 0 "[ . 1 . 2]" 1
533 1 51 HIS QB 1 52 LEU QD . . 4.530 3.951 3.902 4.061 . 0 0 "[ . 1 . 2]" 1
534 1 51 HIS QB 1 52 LEU MD2 . . 4.490 4.052 3.997 4.179 . 0 0 "[ . 1 . 2]" 1
535 1 51 HIS QB 1 54 GLU HB2 . . 4.240 4.276 4.241 4.335 0.095 4 0 "[ . 1 . 2]" 1
536 1 51 HIS QB 1 55 ALA MB . . 5.200 4.384 4.155 4.676 . 0 0 "[ . 1 . 2]" 1
537 1 51 HIS HD2 1 52 LEU H . . 4.700 3.269 2.985 3.427 . 0 0 "[ . 1 . 2]" 1
538 1 51 HIS HD2 1 52 LEU HA . . 4.890 3.489 3.290 3.622 . 0 0 "[ . 1 . 2]" 1
539 1 51 HIS HD2 1 52 LEU MD1 . . 4.110 4.118 4.050 4.131 0.021 13 0 "[ . 1 . 2]" 1
540 1 51 HIS HD2 1 52 LEU QD . . 3.370 2.042 2.022 2.069 . 0 0 "[ . 1 . 2]" 1
541 1 51 HIS HD2 1 52 LEU MD2 . . 4.390 2.047 2.027 2.075 . 0 0 "[ . 1 . 2]" 1
542 1 51 HIS HD2 1 52 LEU HG . . 4.580 4.640 4.629 4.651 0.071 16 0 "[ . 1 . 2]" 1
543 1 51 HIS HD2 1 55 ALA MB . . 5.130 4.835 4.645 5.131 0.001 5 0 "[ . 1 . 2]" 1
544 1 51 HIS HE1 1 52 LEU H . . 4.750 4.583 4.442 4.745 . 0 0 "[ . 1 . 2]" 1
545 1 51 HIS HE1 1 52 LEU QD . . 4.060 4.085 4.077 4.092 0.032 1 0 "[ . 1 . 2]" 1
546 1 51 HIS HE1 1 52 LEU MD2 . . 4.580 4.124 4.114 4.130 . 0 0 "[ . 1 . 2]" 1
547 1 52 LEU H 1 52 LEU HB2 . . 3.200 2.165 2.127 2.202 . 0 0 "[ . 1 . 2]" 1
548 1 52 LEU H 1 52 LEU HB3 . . 3.650 3.242 3.146 3.357 . 0 0 "[ . 1 . 2]" 1
549 1 52 LEU H 1 52 LEU QD . . 3.480 3.167 2.971 3.242 . 0 0 "[ . 1 . 2]" 1
550 1 52 LEU H 1 52 LEU MD2 . . 3.340 3.267 3.035 3.359 0.019 13 0 "[ . 1 . 2]" 1
551 1 52 LEU H 1 53 ILE H . . 3.150 2.283 2.128 2.541 . 0 0 "[ . 1 . 2]" 1
552 1 52 LEU H 1 53 ILE HB . . 5.120 4.540 4.307 4.829 . 0 0 "[ . 1 . 2]" 1
553 1 52 LEU H 1 53 ILE MD . . 4.260 4.105 3.265 4.359 0.099 13 0 "[ . 1 . 2]" 1
554 1 52 LEU H 1 54 GLU HB2 . . 4.770 4.789 4.677 4.837 0.067 11 0 "[ . 1 . 2]" 1
555 1 52 LEU H 1 55 ALA MB . . 5.180 4.967 4.835 5.162 . 0 0 "[ . 1 . 2]" 1
556 1 52 LEU HA 1 52 LEU MD1 . . 2.990 2.076 2.051 2.101 . 0 0 "[ . 1 . 2]" 1
557 1 52 LEU HA 1 52 LEU QD . . 3.030 1.955 1.916 1.990 . 0 0 "[ . 1 . 2]" 1
558 1 52 LEU HA 1 52 LEU MD2 . . 4.580 2.389 2.298 2.465 . 0 0 "[ . 1 . 2]" 1
559 1 52 LEU HA 1 54 GLU H . . 4.580 4.517 4.274 4.611 0.031 4 0 "[ . 1 . 2]" 1
560 1 52 LEU HB2 1 53 ILE H . . 3.180 3.235 3.191 3.269 0.089 3 0 "[ . 1 . 2]" 1
561 1 52 LEU HB3 1 52 LEU MD2 . . 3.570 3.221 3.207 3.231 . 0 0 "[ . 1 . 2]" 1
562 1 52 LEU HB3 1 53 ILE H . . 4.520 3.161 2.999 3.264 . 0 0 "[ . 1 . 2]" 1
563 1 52 LEU QD 1 53 ILE H . . 4.890 4.122 4.050 4.171 . 0 0 "[ . 1 . 2]" 1
564 1 52 LEU MD1 1 55 ALA MB . . 3.820 3.390 2.936 3.664 . 0 0 "[ . 1 . 2]" 1
565 1 53 ILE H 1 53 ILE HB . . 3.170 2.472 2.392 2.610 . 0 0 "[ . 1 . 2]" 1
566 1 53 ILE H 1 53 ILE MD . . 3.760 2.909 1.969 3.294 . 0 0 "[ . 1 . 2]" 1
567 1 53 ILE H 1 53 ILE HG12 . . 4.540 3.826 3.544 4.129 . 0 0 "[ . 1 . 2]" 1
568 1 53 ILE H 1 53 ILE HG13 . . 3.060 2.499 2.073 2.966 . 0 0 "[ . 1 . 2]" 1
569 1 53 ILE H 1 53 ILE MG . . 3.920 3.806 3.775 3.871 . 0 0 "[ . 1 . 2]" 1
570 1 53 ILE H 1 54 GLU H . . 3.520 2.521 2.372 2.672 . 0 0 "[ . 1 . 2]" 1
571 1 53 ILE H 1 55 ALA H . . 4.760 4.436 4.335 4.688 . 0 0 "[ . 1 . 2]" 1
572 1 53 ILE HA 1 53 ILE HG12 . . 3.130 2.881 2.661 3.208 0.078 11 0 "[ . 1 . 2]" 1
573 1 53 ILE HA 1 53 ILE HG13 . . 3.380 2.600 2.151 2.981 . 0 0 "[ . 1 . 2]" 1
574 1 53 ILE HA 1 53 ILE MG . . 3.320 2.384 2.289 2.442 . 0 0 "[ . 1 . 2]" 1
575 1 53 ILE HA 1 56 HIS H . . 4.500 3.767 3.546 3.957 . 0 0 "[ . 1 . 2]" 1
576 1 53 ILE HA 1 56 HIS HB2 . . 4.060 3.690 3.506 3.827 . 0 0 "[ . 1 . 2]" 1
577 1 53 ILE HA 1 56 HIS HD2 . . 5.060 3.504 3.353 3.695 . 0 0 "[ . 1 . 2]" 1
578 1 53 ILE HA 1 57 LYS H . . 4.640 3.836 3.660 3.967 . 0 0 "[ . 1 . 2]" 1
579 1 53 ILE HB 1 54 GLU HA . . 4.210 4.298 4.237 4.347 0.137 20 0 "[ . 1 . 2]" 1
580 1 53 ILE MD 1 54 GLU H . . 4.670 4.290 3.935 4.666 . 0 0 "[ . 1 . 2]" 1
581 1 53 ILE HG13 1 54 GLU H . . 4.620 4.448 4.241 4.635 0.015 11 0 "[ . 1 . 2]" 1
582 1 53 ILE MG 1 54 GLU H . . 4.030 3.528 3.380 3.675 . 0 0 "[ . 1 . 2]" 1
583 1 53 ILE MG 1 54 GLU HA . . 4.350 3.610 3.274 3.805 . 0 0 "[ . 1 . 2]" 1
584 1 53 ILE MG 1 54 GLU HB2 . . 5.180 5.078 4.645 5.200 0.020 13 0 "[ . 1 . 2]" 1
585 1 53 ILE MG 1 56 HIS HB2 . . 5.330 5.150 5.015 5.305 . 0 0 "[ . 1 . 2]" 1
586 1 53 ILE MG 1 56 HIS HD2 . . 3.630 3.646 3.544 3.678 0.048 7 0 "[ . 1 . 2]" 1
587 1 53 ILE MG 1 57 LYS H . . 5.150 3.921 3.774 4.039 . 0 0 "[ . 1 . 2]" 1
588 1 53 ILE MG 1 57 LYS QD . . 3.740 2.343 1.814 3.588 . 0 0 "[ . 1 . 2]" 1
589 1 53 ILE MG 1 57 LYS HE2 . . 4.530 3.306 1.895 4.522 . 0 0 "[ . 1 . 2]" 1
590 1 53 ILE MG 1 57 LYS HE3 . . 3.950 3.781 2.702 4.114 0.164 7 0 "[ . 1 . 2]" 1
591 1 54 GLU H 1 54 GLU HB2 . . 2.660 2.176 2.071 2.290 . 0 0 "[ . 1 . 2]" 1
592 1 54 GLU H 1 54 GLU HB3 . . 3.980 3.449 3.402 3.525 . 0 0 "[ . 1 . 2]" 1
593 1 54 GLU H 1 54 GLU HG2 . . 3.700 3.523 2.775 3.841 0.141 4 0 "[ . 1 . 2]" 1
594 1 54 GLU H 1 54 GLU HG3 . . 4.220 3.363 2.333 4.230 0.010 12 0 "[ . 1 . 2]" 1
595 1 54 GLU H 1 55 ALA H . . 3.330 2.956 2.852 3.082 . 0 0 "[ . 1 . 2]" 1
596 1 54 GLU HA 1 54 GLU HB2 . . 2.890 2.962 2.893 2.996 0.106 18 0 "[ . 1 . 2]" 1
597 1 54 GLU HA 1 54 GLU HB3 . . 2.720 2.588 2.452 2.754 0.034 11 0 "[ . 1 . 2]" 1
598 1 54 GLU HA 1 54 GLU HG2 . . 3.780 2.908 2.080 3.620 . 0 0 "[ . 1 . 2]" 1
599 1 54 GLU HA 1 54 GLU HG3 . . 3.130 2.714 2.092 3.339 0.209 6 0 "[ . 1 . 2]" 1
600 1 54 GLU HA 1 57 LYS H . . 3.670 3.443 2.933 3.705 0.035 6 0 "[ . 1 . 2]" 1
601 1 54 GLU HA 1 57 LYS QD . . 3.760 3.026 2.139 3.830 0.070 11 0 "[ . 1 . 2]" 1
602 1 54 GLU HA 1 57 LYS HE2 . . 4.510 3.248 2.289 4.358 . 0 0 "[ . 1 . 2]" 1
603 1 54 GLU HA 1 58 GLU H . . 4.310 3.947 3.688 4.158 . 0 0 "[ . 1 . 2]" 1
604 1 54 GLU HB2 1 55 ALA H . . 3.220 2.664 2.444 3.075 . 0 0 "[ . 1 . 2]" 1
605 1 54 GLU HB3 1 54 GLU HG3 . . 2.410 2.497 2.145 2.780 0.370 16 0 "[ . 1 . 2]" 1
606 1 54 GLU HG2 1 55 ALA H . . 5.010 4.950 4.722 5.046 0.036 10 0 "[ . 1 . 2]" 1
607 1 54 GLU HG2 1 57 LYS QD . . 5.100 4.433 2.376 5.221 0.121 4 0 "[ . 1 . 2]" 1
608 1 54 GLU HG2 1 57 LYS HE2 . . 4.880 4.135 2.364 4.962 0.082 12 0 "[ . 1 . 2]" 1
609 1 54 GLU HG3 1 57 LYS HE2 . . 4.610 3.982 3.023 4.677 0.067 3 0 "[ . 1 . 2]" 1
610 1 55 ALA H 1 55 ALA HA . . 2.920 2.829 2.795 2.856 . 0 0 "[ . 1 . 2]" 1
611 1 55 ALA H 1 55 ALA MB . . 2.910 2.193 2.168 2.212 . 0 0 "[ . 1 . 2]" 1
612 1 55 ALA H 1 56 HIS H . . 3.440 2.834 2.767 2.971 . 0 0 "[ . 1 . 2]" 1
613 1 55 ALA H 1 56 HIS HB3 . . 5.170 4.869 4.749 5.033 . 0 0 "[ . 1 . 2]" 1
614 1 55 ALA HA 1 58 GLU H . . 3.900 3.765 3.410 3.921 0.021 10 0 "[ . 1 . 2]" 1
615 1 55 ALA HA 1 58 GLU HB2 . . 3.390 3.137 2.578 3.407 0.017 1 0 "[ . 1 . 2]" 1
616 1 55 ALA MB 1 56 HIS H . . 3.460 2.585 2.474 2.698 . 0 0 "[ . 1 . 2]" 1
617 1 55 ALA MB 1 56 HIS HB2 . . 4.860 3.981 3.895 4.065 . 0 0 "[ . 1 . 2]" 1
618 1 55 ALA MB 1 56 HIS HB3 . . 4.540 4.544 4.499 4.555 0.015 16 0 "[ . 1 . 2]" 1
619 1 55 ALA MB 1 58 GLU H . . 5.370 4.912 4.631 5.073 . 0 0 "[ . 1 . 2]" 1
620 1 56 HIS H 1 56 HIS HB2 . . 3.110 2.412 2.348 2.467 . 0 0 "[ . 1 . 2]" 1
621 1 56 HIS H 1 56 HIS HB3 . . 3.130 2.361 2.297 2.418 . 0 0 "[ . 1 . 2]" 1
622 1 56 HIS HA 1 56 HIS HD2 . . 4.910 4.712 4.648 4.747 . 0 0 "[ . 1 . 2]" 1
623 1 56 HIS HA 1 57 LYS HA . . 4.990 4.938 4.877 5.008 0.018 5 0 "[ . 1 . 2]" 1
624 1 56 HIS HA 1 59 CYS H . . 4.030 3.550 3.342 3.846 . 0 0 "[ . 1 . 2]" 1
625 1 56 HIS HA 1 59 CYS HB2 . . 4.030 3.288 3.058 3.568 . 0 0 "[ . 1 . 2]" 1
626 1 56 HIS HA 1 59 CYS HB3 . . 4.050 2.656 2.430 2.841 . 0 0 "[ . 1 . 2]" 1
627 1 56 HIS HA 1 60 MET H . . 4.460 4.150 3.943 4.360 . 0 0 "[ . 1 . 2]" 1
628 1 56 HIS HB2 1 56 HIS HD2 . . 3.580 3.467 3.426 3.531 . 0 0 "[ . 1 . 2]" 1
629 1 56 HIS HB2 1 57 LYS H . . 3.530 3.657 3.638 3.681 0.151 4 0 "[ . 1 . 2]" 1
630 1 56 HIS HB3 1 57 LYS H . . 3.970 2.335 2.271 2.422 . 0 0 "[ . 1 . 2]" 1
631 1 56 HIS HD2 1 57 LYS H . . 4.430 4.049 3.739 4.240 . 0 0 "[ . 1 . 2]" 1
632 1 56 HIS HD2 1 57 LYS HA . . 4.660 4.651 4.475 4.708 0.048 6 0 "[ . 1 . 2]" 1
633 1 56 HIS HD2 1 57 LYS HG3 . . 4.520 4.256 3.595 4.559 0.039 9 0 "[ . 1 . 2]" 1
634 1 57 LYS H 1 57 LYS HB2 . . 3.180 2.348 2.173 2.554 . 0 0 "[ . 1 . 2]" 1
635 1 57 LYS H 1 57 LYS HB3 . . 3.750 3.614 3.463 3.709 . 0 0 "[ . 1 . 2]" 1
636 1 57 LYS H 1 57 LYS HG2 . . 4.320 4.064 3.697 4.256 . 0 0 "[ . 1 . 2]" 1
637 1 57 LYS H 1 57 LYS HG3 . . 3.200 2.930 2.646 3.224 0.024 9 0 "[ . 1 . 2]" 1
638 1 57 LYS H 1 58 GLU H . . 3.460 2.979 2.883 3.094 . 0 0 "[ . 1 . 2]" 1
639 1 57 LYS H 1 58 GLU HB2 . . 5.090 5.077 4.908 5.132 0.042 16 0 "[ . 1 . 2]" 1
640 1 57 LYS HA 1 57 LYS HB2 . . 2.970 2.995 2.953 3.016 0.046 3 0 "[ . 1 . 2]" 1
641 1 57 LYS HA 1 57 LYS HG2 . . 3.310 2.572 2.321 2.786 . 0 0 "[ . 1 . 2]" 1
642 1 57 LYS HA 1 57 LYS HG3 . . 2.940 2.695 2.368 2.984 0.044 2 0 "[ . 1 . 2]" 1
643 1 57 LYS HA 1 60 MET H . . 4.040 3.693 3.498 3.853 . 0 0 "[ . 1 . 2]" 1
644 1 57 LYS HA 1 60 MET QG . . 4.850 3.550 2.509 3.900 . 0 0 "[ . 1 . 2]" 1
645 1 57 LYS HA 1 61 ARG H . . 4.380 4.117 3.876 4.314 . 0 0 "[ . 1 . 2]" 1
646 1 57 LYS HA 1 67 ILE MD . . 3.700 3.207 2.256 3.794 0.094 15 0 "[ . 1 . 2]" 1
647 1 57 LYS HA 1 67 ILE MG . . 3.670 2.961 2.087 3.685 0.015 17 0 "[ . 1 . 2]" 1
648 1 57 LYS HB2 1 57 LYS HE3 . . 4.220 2.778 1.925 4.339 0.119 3 0 "[ . 1 . 2]" 1
649 1 57 LYS HB2 1 58 GLU H . . 3.210 2.625 2.431 2.861 . 0 0 "[ . 1 . 2]" 1
650 1 57 LYS HB3 1 58 GLU H . . 3.800 3.051 2.729 3.370 . 0 0 "[ . 1 . 2]" 1
651 1 57 LYS HB3 1 58 GLU HA . . 4.280 4.010 3.746 4.278 . 0 0 "[ . 1 . 2]" 1
652 1 57 LYS HE3 1 57 LYS HG2 . . 4.150 3.450 2.445 4.029 . 0 0 "[ . 1 . 2]" 1
653 1 57 LYS HG3 1 58 GLU H . . 5.420 4.752 4.570 4.932 . 0 0 "[ . 1 . 2]" 1
654 1 57 LYS HG3 1 67 ILE MG . . 3.580 3.236 2.419 3.604 0.024 9 0 "[ . 1 . 2]" 1
655 1 58 GLU H 1 58 GLU HB2 . . 2.910 2.444 2.225 2.622 . 0 0 "[ . 1 . 2]" 1
656 1 58 GLU H 1 58 GLU HB3 . . 3.830 3.578 3.542 3.623 . 0 0 "[ . 1 . 2]" 1
657 1 58 GLU H 1 58 GLU HG2 . . 3.880 2.742 2.192 3.910 0.030 3 0 "[ . 1 . 2]" 1
658 1 58 GLU H 1 58 GLU HG3 . . 3.630 3.242 2.323 3.682 0.052 8 0 "[ . 1 . 2]" 1
659 1 58 GLU H 1 59 CYS H . . 3.110 2.782 2.649 2.911 . 0 0 "[ . 1 . 2]" 1
660 1 58 GLU H 1 60 MET H . . 4.740 4.489 4.336 4.630 . 0 0 "[ . 1 . 2]" 1
661 1 58 GLU HA 1 58 GLU HB3 . . 2.860 2.473 2.388 2.574 . 0 0 "[ . 1 . 2]" 1
662 1 58 GLU HA 1 58 GLU HG2 . . 3.490 3.005 2.239 3.529 0.039 14 0 "[ . 1 . 2]" 1
663 1 58 GLU HA 1 61 ARG H . . 4.000 3.159 2.908 3.300 . 0 0 "[ . 1 . 2]" 1
664 1 58 GLU HA 1 61 ARG HB3 . . 3.230 3.212 2.794 3.288 0.058 4 0 "[ . 1 . 2]" 1
665 1 58 GLU HA 1 61 ARG QD . . 4.480 2.665 2.171 3.288 . 0 0 "[ . 1 . 2]" 1
666 1 58 GLU HA 1 61 ARG HD3 . . 4.070 3.560 2.410 4.242 0.172 8 0 "[ . 1 . 2]" 1
667 1 58 GLU HA 1 62 ALA H . . 4.130 4.079 3.935 4.197 0.067 2 0 "[ . 1 . 2]" 1
668 1 58 GLU HB2 1 59 CYS H . . 3.360 2.690 2.449 3.280 . 0 0 "[ . 1 . 2]" 1
669 1 58 GLU HB3 1 59 CYS H . . 4.100 3.647 3.419 3.898 . 0 0 "[ . 1 . 2]" 1
670 1 58 GLU HG3 1 59 CYS H . . 4.910 4.865 4.546 5.028 0.118 1 0 "[ . 1 . 2]" 1
671 1 59 CYS H 1 59 CYS HB2 . . 2.960 2.433 2.288 2.539 . 0 0 "[ . 1 . 2]" 1
672 1 59 CYS H 1 59 CYS HB3 . . 3.200 2.620 2.518 2.762 . 0 0 "[ . 1 . 2]" 1
673 1 59 CYS H 1 60 MET H . . 3.390 3.061 2.945 3.203 . 0 0 "[ . 1 . 2]" 1
674 1 59 CYS HA 1 62 ALA H . . 4.000 3.873 3.656 4.019 0.019 6 0 "[ . 1 . 2]" 1
675 1 59 CYS HA 1 62 ALA MB . . 3.650 3.229 3.029 3.500 . 0 0 "[ . 1 . 2]" 1
676 1 59 CYS HB2 1 60 MET H . . 4.160 3.832 3.741 3.905 . 0 0 "[ . 1 . 2]" 1
677 1 59 CYS HB3 1 60 MET H . . 3.680 2.468 2.331 2.602 . 0 0 "[ . 1 . 2]" 1
678 1 60 MET H 1 60 MET HB2 . . 3.340 2.532 2.438 2.868 . 0 0 "[ . 1 . 2]" 1
679 1 60 MET H 1 60 MET HB3 . . 3.880 3.611 3.589 3.654 . 0 0 "[ . 1 . 2]" 1
680 1 60 MET H 1 61 ARG H . . 3.250 2.925 2.821 3.039 . 0 0 "[ . 1 . 2]" 1
681 1 60 MET HA 1 60 MET QG . . 3.450 2.476 2.280 3.231 . 0 0 "[ . 1 . 2]" 1
682 1 60 MET HA 1 63 LEU MD2 . . 3.830 3.076 2.307 3.743 . 0 0 "[ . 1 . 2]" 1
683 1 60 MET HA 1 65 PHE HB3 . . 4.320 4.380 4.226 4.452 0.132 12 0 "[ . 1 . 2]" 1
684 1 60 MET HA 1 65 PHE QD . . 3.800 3.017 2.577 3.886 0.086 1 0 "[ . 1 . 2]" 1
685 1 60 MET HA 1 65 PHE QE . . 4.000 4.091 4.052 4.138 0.138 16 0 "[ . 1 . 2]" 1
686 1 60 MET HB2 1 60 MET QG . . 2.800 2.378 2.145 2.498 . 0 0 "[ . 1 . 2]" 1
687 1 60 MET HB2 1 61 ARG H . . 4.060 2.571 2.380 2.756 . 0 0 "[ . 1 . 2]" 1
688 1 60 MET HB2 1 63 LEU H . . 5.460 5.522 5.429 5.549 0.089 11 0 "[ . 1 . 2]" 1
689 1 60 MET HB2 1 65 PHE QD . . 4.680 4.165 3.958 4.643 . 0 0 "[ . 1 . 2]" 1
690 1 60 MET HB3 1 61 ARG H . . 4.330 3.676 3.572 3.804 . 0 0 "[ . 1 . 2]" 1
691 1 60 MET HB3 1 65 PHE HB3 . . 4.050 2.882 2.568 3.213 . 0 0 "[ . 1 . 2]" 1
692 1 60 MET HB3 1 65 PHE QD . . 4.260 2.818 2.434 3.502 . 0 0 "[ . 1 . 2]" 1
693 1 60 MET HB3 1 65 PHE QE . . 5.240 4.155 3.745 4.341 . 0 0 "[ . 1 . 2]" 1
694 1 60 MET HB3 1 65 PHE HZ . . 6.000 5.588 4.399 6.011 0.011 15 0 "[ . 1 . 2]" 1
695 1 60 MET HB3 1 67 ILE MD . . 3.400 2.660 2.137 3.432 0.032 2 0 "[ . 1 . 2]" 1
696 1 61 ARG H 1 61 ARG QB . . 3.360 1.882 1.846 1.932 . 0 0 "[ . 1 . 2]" 1
697 1 61 ARG H 1 61 ARG HB3 . . 3.000 3.171 3.033 3.205 0.205 10 0 "[ . 1 . 2]" 1
698 1 61 ARG H 1 61 ARG HD2 . . 4.880 4.062 3.621 4.886 0.006 15 0 "[ . 1 . 2]" 1
699 1 61 ARG H 1 61 ARG HG2 . . 4.200 3.821 3.533 4.224 0.024 1 0 "[ . 1 . 2]" 1
700 1 61 ARG H 1 61 ARG HG3 . . 4.070 2.824 2.211 3.662 . 0 0 "[ . 1 . 2]" 1
701 1 61 ARG H 1 62 ALA H . . 3.080 2.864 2.764 2.962 . 0 0 "[ . 1 . 2]" 1
702 1 61 ARG H 1 62 ALA MB . . 5.090 4.458 4.351 4.542 . 0 0 "[ . 1 . 2]" 1
703 1 61 ARG H 1 63 LEU H . . 4.850 4.344 4.291 4.409 . 0 0 "[ . 1 . 2]" 1
704 1 61 ARG H 1 67 ILE MD . . 5.120 4.266 3.014 5.153 0.033 10 0 "[ . 1 . 2]" 1
705 1 61 ARG HA 1 61 ARG QD . . 4.550 3.934 3.846 4.057 . 0 0 "[ . 1 . 2]" 1
706 1 61 ARG HA 1 61 ARG HG3 . . 3.210 2.744 2.483 2.909 . 0 0 "[ . 1 . 2]" 1
707 1 61 ARG HA 1 63 LEU H . . 4.880 3.764 3.527 3.947 . 0 0 "[ . 1 . 2]" 1
708 1 61 ARG QB 1 61 ARG HD3 . . 3.280 2.345 2.101 3.215 . 0 0 "[ . 1 . 2]" 1
709 1 61 ARG QB 1 61 ARG HG2 . . 2.580 2.453 2.393 2.507 . 0 0 "[ . 1 . 2]" 1
710 1 61 ARG HB2 1 61 ARG HG3 . . 2.720 2.436 2.272 2.554 . 0 0 "[ . 1 . 2]" 1
711 1 61 ARG HB2 1 62 ALA H . . 3.360 3.027 2.742 3.406 0.046 1 0 "[ . 1 . 2]" 1
712 1 61 ARG HB3 1 61 ARG QD . . 3.530 2.371 2.179 3.159 . 0 0 "[ . 1 . 2]" 1
713 1 61 ARG HB3 1 62 ALA H . . 3.160 3.160 2.650 3.227 0.067 10 0 "[ . 1 . 2]" 1
714 1 61 ARG HB3 1 65 PHE H . . 4.940 4.896 4.665 4.985 0.045 12 0 "[ . 1 . 2]" 1
715 1 61 ARG QD 1 67 ILE HB . . 4.450 3.803 2.858 4.293 . 0 0 "[ . 1 . 2]" 1
716 1 61 ARG QD 1 67 ILE MG . . 4.990 4.259 2.124 5.025 0.035 6 0 "[ . 1 . 2]" 1
717 1 61 ARG HD2 1 67 ILE MG . . 5.500 4.513 2.226 5.299 . 0 0 "[ . 1 . 2]" 1
718 1 61 ARG HG2 1 65 PHE HB3 . . 3.990 4.066 4.037 4.096 0.106 11 0 "[ . 1 . 2]" 1
719 1 61 ARG HG3 1 65 PHE HB2 . . 5.500 4.679 4.200 5.243 . 0 0 "[ . 1 . 2]" 1
720 1 61 ARG HG3 1 65 PHE HB3 . . 5.500 3.853 3.489 4.134 . 0 0 "[ . 1 . 2]" 1
721 1 61 ARG HG3 1 65 PHE QD . . 6.000 5.739 5.434 5.936 . 0 0 "[ . 1 . 2]" 1
722 1 62 ALA H 1 62 ALA MB . . 2.980 2.187 2.146 2.232 . 0 0 "[ . 1 . 2]" 1
723 1 62 ALA H 1 63 LEU H . . 3.250 2.943 2.804 3.046 . 0 0 "[ . 1 . 2]" 1
724 1 62 ALA HA 1 64 GLY H . . 4.670 3.733 3.606 3.874 . 0 0 "[ . 1 . 2]" 1
725 1 62 ALA MB 1 63 LEU H . . 3.560 2.663 2.416 2.897 . 0 0 "[ . 1 . 2]" 1
726 1 62 ALA MB 1 63 LEU HG . . 3.510 3.648 3.601 3.725 0.215 12 0 "[ . 1 . 2]" 1
727 1 63 LEU H 1 63 LEU HB2 . . 3.030 2.453 2.309 2.540 . 0 0 "[ . 1 . 2]" 1
728 1 63 LEU H 1 63 LEU HB3 . . 4.070 3.562 3.521 3.610 . 0 0 "[ . 1 . 2]" 1
729 1 63 LEU H 1 63 LEU MD1 . . 4.360 1.996 1.892 2.116 . 0 0 "[ . 1 . 2]" 1
730 1 63 LEU H 1 63 LEU MD2 . . 4.090 3.759 3.555 3.910 . 0 0 "[ . 1 . 2]" 1
731 1 63 LEU H 1 63 LEU HG . . 3.780 3.546 3.459 3.666 . 0 0 "[ . 1 . 2]" 1
732 1 63 LEU H 1 64 GLY H . . 3.310 2.764 2.562 2.944 . 0 0 "[ . 1 . 2]" 1
733 1 63 LEU H 1 64 GLY HA2 . . 5.070 5.035 4.863 5.083 0.013 15 0 "[ . 1 . 2]" 1
734 1 63 LEU HA 1 63 LEU HB3 . . 2.990 2.458 2.405 2.534 . 0 0 "[ . 1 . 2]" 1
735 1 63 LEU HA 1 63 LEU MD1 . . 3.060 3.095 3.013 3.122 0.062 9 0 "[ . 1 . 2]" 1
736 1 63 LEU HA 1 63 LEU HG . . 4.100 2.553 2.341 2.844 . 0 0 "[ . 1 . 2]" 1
737 1 63 LEU HB2 1 64 GLY H . . 4.210 3.820 3.738 4.041 . 0 0 "[ . 1 . 2]" 1
738 1 63 LEU HB2 1 65 PHE QD . . 3.660 2.155 1.870 2.400 . 0 0 "[ . 1 . 2]" 1
739 1 63 LEU HB2 1 65 PHE QE . . 4.150 3.075 2.589 3.399 . 0 0 "[ . 1 . 2]" 1
740 1 63 LEU HB2 1 65 PHE HZ . . 4.930 4.991 4.954 5.057 0.127 3 0 "[ . 1 . 2]" 1
741 1 63 LEU HB3 1 63 LEU MD1 . . 3.070 3.180 3.156 3.197 0.127 16 0 "[ . 1 . 2]" 1
742 1 63 LEU HB3 1 64 GLY H . . 4.420 4.345 4.258 4.427 0.007 6 0 "[ . 1 . 2]" 1
743 1 63 LEU HB3 1 65 PHE QD . . 3.940 3.464 2.653 3.854 . 0 0 "[ . 1 . 2]" 1
744 1 63 LEU HB3 1 65 PHE QE . . 4.360 3.487 2.791 3.951 . 0 0 "[ . 1 . 2]" 1
745 1 63 LEU HB3 1 65 PHE HZ . . 5.260 5.181 4.929 5.308 0.048 6 0 "[ . 1 . 2]" 1
746 1 63 LEU MD1 1 64 GLY H . . 5.200 4.287 4.238 4.335 . 0 0 "[ . 1 . 2]" 1
747 1 63 LEU MD1 1 65 PHE QD . . 5.110 3.060 2.454 3.890 . 0 0 "[ . 1 . 2]" 1
748 1 63 LEU MD1 1 65 PHE QE . . 4.900 3.726 3.283 4.164 . 0 0 "[ . 1 . 2]" 1
749 1 63 LEU MD2 1 64 GLY H . . 5.320 5.351 5.298 5.428 0.108 18 0 "[ . 1 . 2]" 1
750 1 63 LEU MD2 1 65 PHE HB3 . . 5.140 5.253 5.171 5.308 0.168 4 0 "[ . 1 . 2]" 1
751 1 63 LEU MD2 1 65 PHE QD . . 4.020 2.743 2.321 3.181 . 0 0 "[ . 1 . 2]" 1
752 1 63 LEU MD2 1 65 PHE QE . . 3.790 2.048 1.973 2.292 . 0 0 "[ . 1 . 2]" 1
753 1 63 LEU MD2 1 65 PHE HZ . . 4.760 3.868 3.648 4.141 . 0 0 "[ . 1 . 2]" 1
754 1 63 LEU HG 1 65 PHE QD . . 5.330 4.796 4.669 4.978 . 0 0 "[ . 1 . 2]" 1
755 1 65 PHE H 1 65 PHE HB2 . . 3.980 1.967 1.899 2.082 . 0 0 "[ . 1 . 2]" 1
756 1 65 PHE H 1 65 PHE HB3 . . 3.270 3.131 2.854 3.296 0.026 17 0 "[ . 1 . 2]" 1
757 1 65 PHE H 1 65 PHE QD . . 3.940 3.607 2.743 4.022 0.082 18 0 "[ . 1 . 2]" 1
758 1 65 PHE HA 1 65 PHE QD . . 3.400 2.558 2.035 3.132 . 0 0 "[ . 1 . 2]" 1
759 1 65 PHE HA 1 65 PHE QE . . 4.710 4.294 4.108 4.686 . 0 0 "[ . 1 . 2]" 1
760 1 65 PHE HA 1 66 LYS H . . 3.300 2.327 2.146 2.503 . 0 0 "[ . 1 . 2]" 1
761 1 65 PHE HA 1 66 LYS QE . . 3.110 3.057 2.608 3.167 0.057 14 0 "[ . 1 . 2]" 1
762 1 65 PHE HB2 1 66 LYS H . . 4.360 4.132 3.678 4.388 0.028 20 0 "[ . 1 . 2]" 1
763 1 65 PHE HB2 1 67 ILE HG12 . . 4.750 4.517 3.892 4.836 0.086 20 0 "[ . 1 . 2]" 1
764 1 65 PHE HB3 1 66 LYS H . . 4.880 3.277 2.518 3.792 . 0 0 "[ . 1 . 2]" 1
765 1 65 PHE HB3 1 67 ILE MD . . 4.300 2.895 2.165 4.244 . 0 0 "[ . 1 . 2]" 1
766 1 65 PHE QD 1 66 LYS H . . 4.830 2.584 1.893 3.039 . 0 0 "[ . 1 . 2]" 1
767 1 65 PHE QD 1 66 LYS HB2 . . 4.560 4.361 3.399 4.661 0.101 17 0 "[ . 1 . 2]" 1
768 1 65 PHE QD 1 67 ILE MG . . 5.690 5.220 4.463 5.716 0.026 5 0 "[ . 1 . 2]" 1
769 1 66 LYS H 1 66 LYS HB2 . . 4.070 2.463 2.191 3.700 . 0 0 "[ . 1 . 2]" 1
770 1 66 LYS H 1 66 LYS HB3 . . 3.420 3.401 2.882 3.519 0.099 8 0 "[ . 1 . 2]" 1
771 1 66 LYS H 1 66 LYS QE . . 4.290 2.921 2.274 3.629 . 0 0 "[ . 1 . 2]" 1
772 1 66 LYS H 1 66 LYS QG . . 5.000 3.599 1.922 4.215 . 0 0 "[ . 1 . 2]" 1
773 1 66 LYS H 1 67 ILE H . . 4.610 3.819 2.883 4.150 . 0 0 "[ . 1 . 2]" 1
774 1 66 LYS HA 1 66 LYS QE . . 5.130 3.120 2.012 4.177 . 0 0 "[ . 1 . 2]" 1
775 1 66 LYS HA 1 66 LYS QG . . 3.260 2.531 2.028 3.338 0.078 18 0 "[ . 1 . 2]" 1
776 1 66 LYS HA 1 67 ILE H . . 2.470 2.186 1.961 2.406 . 0 0 "[ . 1 . 2]" 1
777 1 66 LYS HB2 1 67 ILE H . . 5.010 4.553 3.966 4.658 . 0 0 "[ . 1 . 2]" 1
778 1 66 LYS HB3 1 67 ILE H . . 4.560 4.113 3.813 4.307 . 0 0 "[ . 1 . 2]" 1
779 1 66 LYS QD 1 67 ILE H . . 5.500 5.042 4.090 5.657 0.157 18 0 "[ . 1 . 2]" 1
780 1 66 LYS QE 1 66 LYS QG . . 2.630 2.331 2.112 2.695 0.065 4 0 "[ . 1 . 2]" 1
781 1 67 ILE H 1 67 ILE HB . . 3.220 2.915 2.323 3.298 0.078 6 0 "[ . 1 . 2]" 1
782 1 67 ILE H 1 67 ILE HG12 . . 3.820 3.182 2.661 3.541 . 0 0 "[ . 1 . 2]" 1
783 1 67 ILE H 1 67 ILE HG13 . . 4.100 3.376 2.125 4.160 0.060 4 0 "[ . 1 . 2]" 1
784 1 67 ILE H 1 67 ILE MG . . 3.960 3.863 3.640 3.998 0.038 15 0 "[ . 1 . 2]" 1
785 1 67 ILE HA 1 67 ILE HG13 . . 3.650 3.718 3.658 3.886 0.236 5 0 "[ . 1 . 2]" 1
786 1 67 ILE HA 1 67 ILE MG . . 3.530 2.263 2.034 2.596 . 0 0 "[ . 1 . 2]" 1
787 1 67 ILE HG12 1 67 ILE MG . . 3.710 2.889 2.427 3.245 . 0 0 "[ . 1 . 2]" 1
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