NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454104 |
2ytu   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ytu
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 1723
_Distance_constraint_stats_list.Viol_count 189
_Distance_constraint_stats_list.Viol_total 81.830
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0216
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.486 0.134 14 0 "[ . 1 . 2]"
1 14 MET 0.059 0.059 7 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 MET 0.021 0.011 19 0 "[ . 1 . 2]"
1 26 THR 0.021 0.011 19 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 0.000 0.000 3 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 3 0 "[ . 1 . 2]"
1 30 ARG 0.020 0.010 20 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.001 0.001 11 0 "[ . 1 . 2]"
1 34 VAL 1.111 0.032 18 0 "[ . 1 . 2]"
1 35 PRO 1.115 0.032 18 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.008 0.005 18 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.003 0.001 18 0 "[ . 1 . 2]"
1 41 TRP 0.023 0.005 18 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 HIS 0.010 0.003 17 0 "[ . 1 . 2]"
1 46 VAL 0.001 0.001 12 0 "[ . 1 . 2]"
1 47 ARG 0.005 0.003 19 0 "[ . 1 . 2]"
1 48 GLN 0.019 0.019 17 0 "[ . 1 . 2]"
1 49 TRP 0.006 0.002 11 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.407 0.102 20 0 "[ . 1 . 2]"
1 56 GLU 0.044 0.021 11 0 "[ . 1 . 2]"
1 57 TYR 0.003 0.002 4 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.007 0.005 15 0 "[ . 1 . 2]"
1 60 MET 0.213 0.143 15 0 "[ . 1 . 2]"
1 61 GLU 0.213 0.143 15 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 8 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.002 0.001 19 0 "[ . 1 . 2]"
1 67 PHE 0.004 0.002 19 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASN 0.000 0.000 12 0 "[ . 1 . 2]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 0.127 0.043 9 0 "[ . 1 . 2]"
1 72 GLY 0.127 0.043 9 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.009 0.003 16 0 "[ . 1 . 2]"
1 75 LEU 0.002 0.002 19 0 "[ . 1 . 2]"
1 76 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 1.011 0.124 17 0 "[ . 1 . 2]"
1 78 MET 0.004 0.001 17 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.001 0.001 18 0 "[ . 1 . 2]"
1 81 GLU 0.085 0.020 19 0 "[ . 1 . 2]"
1 82 ASP 0.005 0.002 18 0 "[ . 1 . 2]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.032 0.013 18 0 "[ . 1 . 2]"
1 85 ARG 0.007 0.002 18 0 "[ . 1 . 2]"
1 86 ALA 0.001 0.001 8 0 "[ . 1 . 2]"
1 87 THR 0.002 0.001 18 0 "[ . 1 . 2]"
1 88 THR 0.001 0.001 19 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 0.005 0.005 15 0 "[ . 1 . 2]"
1 91 ASN 0.001 0.001 19 0 "[ . 1 . 2]"
1 92 THR 0.002 0.001 19 0 "[ . 1 . 2]"
1 93 GLU 0.001 0.001 18 0 "[ . 1 . 2]"
1 94 VAL 0.003 0.002 15 0 "[ . 1 . 2]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 0.000 0.000 10 0 "[ . 1 . 2]"
1 97 SER 0.000 0.000 10 0 "[ . 1 . 2]"
1 98 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LEU 0.000 0.000 9 0 "[ . 1 . 2]"
1 100 SER 0.001 0.001 2 0 "[ . 1 . 2]"
1 101 TYR 0.001 0.001 2 0 "[ . 1 . 2]"
1 102 LEU 0.000 0.000 19 0 "[ . 1 . 2]"
1 103 ARG 0.003 0.003 5 0 "[ . 1 . 2]"
1 104 GLU 0.001 0.000 19 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 SER 0.022 0.009 13 0 "[ . 1 . 2]"
1 107 LEU 0.234 0.040 11 0 "[ . 1 . 2]"
1 108 LEU 0.010 0.004 19 0 "[ . 1 . 2]"
1 109 ALA 0.009 0.009 13 0 "[ . 1 . 2]"
1 110 TYR 0.232 0.111 13 0 "[ . 1 . 2]"
1 111 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 THR 0.006 0.006 10 0 "[ . 1 . 2]"
1 113 THR 0.006 0.006 10 0 "[ . 1 . 2]"
1 116 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ARG 0.008 0.008 19 0 "[ . 1 . 2]"
1 122 LEU 0.008 0.008 19 0 "[ . 1 . 2]"
1 123 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 MET HA 1 8 MET ME . . 5.380 4.321 3.006 5.020 . 0 0 "[ . 1 . 2]" 1
2 1 8 MET ME 1 10 TYR QD . . 4.090 3.462 2.095 4.060 . 0 0 "[ . 1 . 2]" 1
3 1 8 MET ME 1 10 TYR QE . . 4.380 3.079 1.938 4.371 . 0 0 "[ . 1 . 2]" 1
4 1 9 ASN QB 1 10 TYR H . . 4.290 2.699 2.001 4.037 . 0 0 "[ . 1 . 2]" 1
5 1 10 TYR H 1 10 TYR QB . . 3.590 2.671 2.101 3.150 . 0 0 "[ . 1 . 2]" 1
6 1 10 TYR HA 1 10 TYR QD . . 4.050 2.739 2.233 3.084 . 0 0 "[ . 1 . 2]" 1
7 1 10 TYR HA 1 10 TYR QE . . 5.190 4.403 4.231 4.620 . 0 0 "[ . 1 . 2]" 1
8 1 11 ASN QB 1 11 ASN QD . . 2.940 2.215 2.065 2.475 . 0 0 "[ . 1 . 2]" 1
9 1 12 SER HA 1 13 TYR H . . 3.470 2.363 2.145 2.689 . 0 0 "[ . 1 . 2]" 1
10 1 12 SER HB2 1 13 TYR H . . 5.380 3.755 2.794 4.638 . 0 0 "[ . 1 . 2]" 1
11 1 12 SER HB3 1 13 TYR H . . 5.380 3.480 2.218 4.637 . 0 0 "[ . 1 . 2]" 1
12 1 13 TYR H 1 13 TYR QB . . 3.490 2.621 2.150 3.282 . 0 0 "[ . 1 . 2]" 1
13 1 13 TYR H 1 13 TYR QD . . 4.380 3.463 2.365 4.369 . 0 0 "[ . 1 . 2]" 1
14 1 13 TYR HA 1 13 TYR QD . . 4.330 2.898 2.127 3.712 . 0 0 "[ . 1 . 2]" 1
15 1 13 TYR HA 1 13 TYR QE . . 5.500 4.664 4.219 5.634 0.134 14 0 "[ . 1 . 2]" 1
16 1 13 TYR QB 1 14 MET H . . 4.400 3.034 2.120 3.833 . 0 0 "[ . 1 . 2]" 1
17 1 14 MET H 1 14 MET QB . . 3.440 2.630 2.071 3.302 . 0 0 "[ . 1 . 2]" 1
18 1 14 MET H 1 14 MET QG . . 3.830 2.877 2.040 3.889 0.059 7 0 "[ . 1 . 2]" 1
19 1 14 MET HA 1 15 ASP QB . . 4.290 3.977 3.791 4.256 . 0 0 "[ . 1 . 2]" 1
20 1 15 ASP H 1 15 ASP HB2 . . 3.900 2.954 2.383 3.866 . 0 0 "[ . 1 . 2]" 1
21 1 15 ASP H 1 15 ASP HB3 . . 3.900 3.195 2.443 3.729 . 0 0 "[ . 1 . 2]" 1
22 1 15 ASP HA 1 16 GLU H . . 3.470 2.410 2.141 3.470 . 0 0 "[ . 1 . 2]" 1
23 1 15 ASP HA 1 16 GLU QB . . 5.340 4.247 3.891 5.025 . 0 0 "[ . 1 . 2]" 1
24 1 16 GLU H 1 16 GLU HB2 . . 3.900 2.904 2.098 3.848 . 0 0 "[ . 1 . 2]" 1
25 1 16 GLU H 1 16 GLU HB3 . . 3.900 3.409 2.953 3.823 . 0 0 "[ . 1 . 2]" 1
26 1 16 GLU H 1 16 GLU QG . . 4.290 3.285 2.071 4.216 . 0 0 "[ . 1 . 2]" 1
27 1 16 GLU HA 1 16 GLU HG2 . . 4.080 2.972 2.034 4.008 . 0 0 "[ . 1 . 2]" 1
28 1 16 GLU HA 1 16 GLU QG . . 3.580 2.535 2.017 3.337 . 0 0 "[ . 1 . 2]" 1
29 1 16 GLU HA 1 16 GLU HG3 . . 4.080 3.098 2.049 3.835 . 0 0 "[ . 1 . 2]" 1
30 1 16 GLU QB 1 16 GLU QG . . 2.360 2.049 2.003 2.086 . 0 0 "[ . 1 . 2]" 1
31 1 16 GLU QB 1 17 LYS H . . 4.400 3.114 2.088 4.026 . 0 0 "[ . 1 . 2]" 1
32 1 17 LYS H 1 17 LYS QB . . 3.670 2.636 2.154 3.206 . 0 0 "[ . 1 . 2]" 1
33 1 17 LYS H 1 17 LYS HG2 . . 5.340 3.990 1.966 5.134 . 0 0 "[ . 1 . 2]" 1
34 1 17 LYS H 1 17 LYS QG . . 4.610 3.349 1.955 4.316 . 0 0 "[ . 1 . 2]" 1
35 1 17 LYS H 1 17 LYS HG3 . . 5.340 3.845 2.498 5.110 . 0 0 "[ . 1 . 2]" 1
36 1 17 LYS HA 1 17 LYS QG . . 3.660 2.554 2.142 3.368 . 0 0 "[ . 1 . 2]" 1
37 1 18 ASN H 1 18 ASN QB . . 3.590 2.705 2.075 3.390 . 0 0 "[ . 1 . 2]" 1
38 1 19 GLY QA 1 20 PRO QD . . 2.770 2.027 1.999 2.035 . 0 0 "[ . 1 . 2]" 1
39 1 19 GLY QA 1 20 PRO QG . . 4.240 3.697 3.687 3.700 . 0 0 "[ . 1 . 2]" 1
40 1 19 GLY HA2 1 20 PRO HG2 . . 5.500 4.758 4.654 4.920 . 0 0 "[ . 1 . 2]" 1
41 1 19 GLY HA2 1 20 PRO HG3 . . 5.500 4.680 4.585 4.835 . 0 0 "[ . 1 . 2]" 1
42 1 19 GLY HA3 1 20 PRO HG2 . . 5.500 4.394 4.273 4.480 . 0 0 "[ . 1 . 2]" 1
43 1 19 GLY HA3 1 20 PRO HG3 . . 5.500 4.935 4.767 5.046 . 0 0 "[ . 1 . 2]" 1
44 1 20 PRO HA 1 21 PRO HD2 . . 3.290 2.534 2.533 2.535 . 0 0 "[ . 1 . 2]" 1
45 1 20 PRO HA 1 21 PRO QD . . 2.680 2.174 2.173 2.175 . 0 0 "[ . 1 . 2]" 1
46 1 20 PRO HA 1 21 PRO HD3 . . 3.290 2.367 2.366 2.367 . 0 0 "[ . 1 . 2]" 1
47 1 20 PRO QB 1 21 PRO QD . . 3.220 1.999 1.998 2.000 . 0 0 "[ . 1 . 2]" 1
48 1 21 PRO HA 1 23 PRO HD3 . . 4.360 3.566 3.565 3.567 . 0 0 "[ . 1 . 2]" 1
49 1 21 PRO QB 1 23 PRO HD3 . . 3.830 2.976 2.975 2.976 . 0 0 "[ . 1 . 2]" 1
50 1 22 PRO QB 1 23 PRO HD2 . . 3.460 2.018 2.018 2.019 . 0 0 "[ . 1 . 2]" 1
51 1 23 PRO QB 1 24 ASN H . . 4.020 2.980 2.111 3.411 . 0 0 "[ . 1 . 2]" 1
52 1 24 ASN H 1 24 ASN QB . . 3.680 2.757 2.095 3.305 . 0 0 "[ . 1 . 2]" 1
53 1 25 MET H 1 25 MET QB . . 3.590 2.825 2.151 3.396 . 0 0 "[ . 1 . 2]" 1
54 1 25 MET QB 1 26 THR MG . . 4.260 3.924 2.565 4.271 0.011 19 0 "[ . 1 . 2]" 1
55 1 25 MET QG 1 26 THR MG . . 4.290 3.670 2.081 4.293 0.003 17 0 "[ . 1 . 2]" 1
56 1 26 THR H 1 26 THR MG . . 4.380 2.808 2.097 3.591 . 0 0 "[ . 1 . 2]" 1
57 1 26 THR MG 1 27 THR H . . 4.860 3.771 2.108 4.394 . 0 0 "[ . 1 . 2]" 1
58 1 27 THR HA 1 27 THR MG . . 3.280 2.254 1.981 3.193 . 0 0 "[ . 1 . 2]" 1
59 1 28 ASN HB2 1 29 GLU HA . . 4.650 4.467 4.170 4.642 . 0 0 "[ . 1 . 2]" 1
60 1 28 ASN HB3 1 29 GLU HA . . 4.650 4.510 4.136 4.650 0.000 3 0 "[ . 1 . 2]" 1
61 1 29 GLU HA 1 30 ARG H . . 3.250 2.489 2.140 2.969 . 0 0 "[ . 1 . 2]" 1
62 1 29 GLU HA 1 30 ARG QB . . 4.550 4.215 3.716 4.547 . 0 0 "[ . 1 . 2]" 1
63 1 30 ARG H 1 30 ARG HG2 . . 5.370 4.096 1.995 5.127 . 0 0 "[ . 1 . 2]" 1
64 1 30 ARG H 1 30 ARG QG . . 4.630 3.533 1.955 4.274 . 0 0 "[ . 1 . 2]" 1
65 1 30 ARG H 1 30 ARG HG3 . . 5.370 3.990 2.742 4.771 . 0 0 "[ . 1 . 2]" 1
66 1 30 ARG HA 1 30 ARG QD . . 5.000 3.479 2.120 4.344 . 0 0 "[ . 1 . 2]" 1
67 1 30 ARG HA 1 30 ARG HG2 . . 3.860 2.950 2.171 3.637 . 0 0 "[ . 1 . 2]" 1
68 1 30 ARG HA 1 30 ARG QG . . 3.310 2.376 2.093 3.320 0.010 20 0 "[ . 1 . 2]" 1
69 1 30 ARG HA 1 30 ARG HG3 . . 3.860 2.828 2.111 3.835 . 0 0 "[ . 1 . 2]" 1
70 1 30 ARG HA 1 31 ARG H . . 3.260 2.514 2.162 2.971 . 0 0 "[ . 1 . 2]" 1
71 1 30 ARG QB 1 30 ARG QD . . 3.230 2.128 1.949 2.386 . 0 0 "[ . 1 . 2]" 1
72 1 31 ARG H 1 31 ARG QB . . 3.530 2.563 2.085 3.380 . 0 0 "[ . 1 . 2]" 1
73 1 31 ARG H 1 31 ARG HG2 . . 5.500 3.939 2.601 4.809 . 0 0 "[ . 1 . 2]" 1
74 1 31 ARG H 1 31 ARG QG . . 4.770 3.429 2.443 4.231 . 0 0 "[ . 1 . 2]" 1
75 1 31 ARG H 1 31 ARG HG3 . . 5.500 3.875 2.603 5.104 . 0 0 "[ . 1 . 2]" 1
76 1 31 ARG HA 1 31 ARG HD2 . . 5.500 4.271 2.732 4.899 . 0 0 "[ . 1 . 2]" 1
77 1 31 ARG HA 1 31 ARG HD3 . . 5.500 4.112 2.134 5.407 . 0 0 "[ . 1 . 2]" 1
78 1 31 ARG QB 1 31 ARG QD . . 3.330 2.105 1.956 2.362 . 0 0 "[ . 1 . 2]" 1
79 1 32 VAL H 1 32 VAL HB . . 3.900 3.372 2.601 3.603 . 0 0 "[ . 1 . 2]" 1
80 1 32 VAL H 1 32 VAL MG1 . . 4.380 2.374 1.996 2.623 . 0 0 "[ . 1 . 2]" 1
81 1 32 VAL H 1 32 VAL QG . . 3.550 2.356 1.990 2.592 . 0 0 "[ . 1 . 2]" 1
82 1 32 VAL H 1 32 VAL MG2 . . 4.380 3.986 3.784 4.052 . 0 0 "[ . 1 . 2]" 1
83 1 32 VAL HA 1 32 VAL MG1 . . 3.470 3.193 3.184 3.203 . 0 0 "[ . 1 . 2]" 1
84 1 32 VAL HA 1 32 VAL QG . . 2.950 2.230 2.158 2.308 . 0 0 "[ . 1 . 2]" 1
85 1 32 VAL HA 1 32 VAL MG2 . . 3.470 2.276 2.195 2.369 . 0 0 "[ . 1 . 2]" 1
86 1 32 VAL HA 1 33 ILE H . . 3.010 2.185 2.144 2.282 . 0 0 "[ . 1 . 2]" 1
87 1 32 VAL HA 1 33 ILE HB . . 4.650 4.473 4.407 4.569 . 0 0 "[ . 1 . 2]" 1
88 1 32 VAL HA 1 33 ILE MG . . 4.090 3.758 3.667 3.850 . 0 0 "[ . 1 . 2]" 1
89 1 32 VAL HB 1 33 ILE H . . 4.330 4.127 3.980 4.214 . 0 0 "[ . 1 . 2]" 1
90 1 32 VAL QG 1 33 ILE H . . 3.550 2.333 2.019 2.614 . 0 0 "[ . 1 . 2]" 1
91 1 32 VAL QG 1 33 ILE HA . . 3.760 3.528 3.407 3.685 . 0 0 "[ . 1 . 2]" 1
92 1 32 VAL MG1 1 33 ILE H . . 4.080 3.875 3.534 4.079 . 0 0 "[ . 1 . 2]" 1
93 1 32 VAL MG1 1 33 ILE HA . . 4.380 4.073 3.843 4.235 . 0 0 "[ . 1 . 2]" 1
94 1 32 VAL MG2 1 33 ILE H . . 4.080 2.353 2.031 2.647 . 0 0 "[ . 1 . 2]" 1
95 1 32 VAL MG2 1 33 ILE HA . . 4.380 3.873 3.680 4.107 . 0 0 "[ . 1 . 2]" 1
96 1 33 ILE H 1 33 ILE HB . . 3.470 2.895 2.697 3.072 . 0 0 "[ . 1 . 2]" 1
97 1 33 ILE H 1 33 ILE MD . . 4.650 4.555 4.407 4.643 . 0 0 "[ . 1 . 2]" 1
98 1 33 ILE H 1 33 ILE HG12 . . 4.630 4.537 4.459 4.610 . 0 0 "[ . 1 . 2]" 1
99 1 33 ILE H 1 33 ILE HG13 . . 4.630 4.528 4.435 4.619 . 0 0 "[ . 1 . 2]" 1
100 1 33 ILE H 1 33 ILE MG . . 3.680 2.010 1.923 2.117 . 0 0 "[ . 1 . 2]" 1
101 1 33 ILE H 1 34 VAL HB . . 5.340 4.585 4.447 4.778 . 0 0 "[ . 1 . 2]" 1
102 1 33 ILE HA 1 33 ILE MD . . 3.760 3.542 3.248 3.708 . 0 0 "[ . 1 . 2]" 1
103 1 33 ILE HA 1 33 ILE QG . . 3.710 2.267 2.226 2.322 . 0 0 "[ . 1 . 2]" 1
104 1 33 ILE HA 1 33 ILE MG . . 3.290 3.201 3.199 3.203 . 0 0 "[ . 1 . 2]" 1
105 1 33 ILE HB 1 33 ILE MD . . 3.290 2.207 2.066 2.370 . 0 0 "[ . 1 . 2]" 1
106 1 33 ILE HB 1 34 VAL H . . 4.910 3.985 3.972 3.999 . 0 0 "[ . 1 . 2]" 1
107 1 33 ILE HG12 1 33 ILE MG . . 3.320 2.228 2.128 2.310 . 0 0 "[ . 1 . 2]" 1
108 1 33 ILE HG13 1 33 ILE MG . . 3.320 3.148 3.057 3.195 . 0 0 "[ . 1 . 2]" 1
109 1 33 ILE MG 1 34 VAL H . . 4.090 2.214 2.163 2.275 . 0 0 "[ . 1 . 2]" 1
110 1 33 ILE MG 1 34 VAL HB . . 3.470 2.322 2.298 2.346 . 0 0 "[ . 1 . 2]" 1
111 1 33 ILE MG 1 34 VAL MG1 . . 3.770 3.766 3.757 3.771 0.001 11 0 "[ . 1 . 2]" 1
112 1 34 VAL H 1 34 VAL MG1 . . 3.770 3.664 3.654 3.670 . 0 0 "[ . 1 . 2]" 1
113 1 34 VAL H 1 34 VAL MG2 . . 4.380 3.565 3.552 3.582 . 0 0 "[ . 1 . 2]" 1
114 1 34 VAL HA 1 34 VAL MG1 . . 3.550 2.670 2.669 2.671 . 0 0 "[ . 1 . 2]" 1
115 1 34 VAL HA 1 34 VAL MG2 . . 3.200 2.154 2.126 2.164 . 0 0 "[ . 1 . 2]" 1
116 1 34 VAL HA 1 35 PRO HD2 . . 3.760 2.165 2.165 2.166 . 0 0 "[ . 1 . 2]" 1
117 1 34 VAL HA 1 35 PRO HD3 . . 3.760 2.253 2.252 2.254 . 0 0 "[ . 1 . 2]" 1
118 1 34 VAL HA 1 35 PRO HG2 . . 5.500 4.324 4.324 4.325 . 0 0 "[ . 1 . 2]" 1
119 1 34 VAL HA 1 35 PRO HG3 . . 4.910 4.354 4.353 4.355 . 0 0 "[ . 1 . 2]" 1
120 1 34 VAL HB 1 35 PRO HD2 . . 4.090 4.121 4.120 4.122 0.032 18 0 "[ . 1 . 2]" 1
121 1 34 VAL HB 1 35 PRO HD3 . . 5.200 4.991 4.990 4.992 . 0 0 "[ . 1 . 2]" 1
122 1 34 VAL HB 1 41 TRP HE1 . . 4.910 4.769 4.386 4.887 . 0 0 "[ . 1 . 2]" 1
123 1 34 VAL MG1 1 35 PRO HB2 . . 4.650 4.285 4.284 4.286 . 0 0 "[ . 1 . 2]" 1
124 1 34 VAL MG1 1 35 PRO QB . . 4.010 3.935 3.934 3.936 . 0 0 "[ . 1 . 2]" 1
125 1 34 VAL MG1 1 35 PRO HB3 . . 4.650 4.584 4.583 4.585 . 0 0 "[ . 1 . 2]" 1
126 1 34 VAL MG1 1 35 PRO HD2 . . 4.380 1.937 1.936 1.938 . 0 0 "[ . 1 . 2]" 1
127 1 34 VAL MG1 1 35 PRO HG2 . . 4.380 3.020 3.019 3.021 . 0 0 "[ . 1 . 2]" 1
128 1 34 VAL MG1 1 41 TRP HD1 . . 4.910 4.068 3.742 4.179 . 0 0 "[ . 1 . 2]" 1
129 1 34 VAL MG1 1 41 TRP HE1 . . 4.090 2.448 2.374 2.495 . 0 0 "[ . 1 . 2]" 1
130 1 34 VAL MG1 1 41 TRP HZ2 . . 3.870 3.693 3.527 3.869 . 0 0 "[ . 1 . 2]" 1
131 1 34 VAL MG2 1 35 PRO HD2 . . 4.380 2.568 2.565 2.577 . 0 0 "[ . 1 . 2]" 1
132 1 34 VAL MG2 1 35 PRO HD3 . . 4.910 3.562 3.546 3.568 . 0 0 "[ . 1 . 2]" 1
133 1 34 VAL MG2 1 35 PRO HG3 . . 4.860 4.884 4.882 4.886 0.026 18 0 "[ . 1 . 2]" 1
134 1 34 VAL MG2 1 41 TRP HE1 . . 4.380 2.440 1.913 2.620 . 0 0 "[ . 1 . 2]" 1
135 1 34 VAL MG2 1 41 TRP HZ2 . . 4.380 1.956 1.897 2.723 . 0 0 "[ . 1 . 2]" 1
136 1 34 VAL MG2 1 45 HIS HB3 . . 4.380 4.353 4.311 4.383 0.003 17 0 "[ . 1 . 2]" 1
137 1 34 VAL MG2 1 45 HIS HD2 . . 4.090 4.073 4.024 4.092 0.002 4 0 "[ . 1 . 2]" 1
138 1 34 VAL MG2 1 49 TRP HB2 . . 4.600 4.583 4.546 4.602 0.002 11 0 "[ . 1 . 2]" 1
139 1 35 PRO QB 1 36 ALA MB . . 5.010 3.081 3.033 3.168 . 0 0 "[ . 1 . 2]" 1
140 1 35 PRO QB 1 41 TRP HD1 . . 4.060 4.059 4.047 4.064 0.004 4 0 "[ . 1 . 2]" 1
141 1 35 PRO QB 1 41 TRP HE1 . . 5.340 4.849 4.751 5.232 . 0 0 "[ . 1 . 2]" 1
142 1 35 PRO HB2 1 41 TRP HD1 . . 4.860 4.390 4.359 4.644 . 0 0 "[ . 1 . 2]" 1
143 1 35 PRO HB3 1 41 TRP HD1 . . 4.860 4.788 4.467 4.840 . 0 0 "[ . 1 . 2]" 1
144 1 35 PRO HD2 1 41 TRP HD1 . . 4.380 3.143 2.235 3.328 . 0 0 "[ . 1 . 2]" 1
145 1 35 PRO HD3 1 41 TRP HD1 . . 4.380 3.931 2.709 4.125 . 0 0 "[ . 1 . 2]" 1
146 1 35 PRO HD3 1 45 HIS HE1 . . 4.910 3.201 2.829 3.651 . 0 0 "[ . 1 . 2]" 1
147 1 35 PRO HG2 1 36 ALA MB . . 4.380 3.731 3.704 3.756 . 0 0 "[ . 1 . 2]" 1
148 1 35 PRO HG2 1 41 TRP HD1 . . 4.380 2.343 2.264 2.649 . 0 0 "[ . 1 . 2]" 1
149 1 35 PRO HG3 1 41 TRP HA . . 4.910 2.658 2.158 2.797 . 0 0 "[ . 1 . 2]" 1
150 1 35 PRO HG3 1 41 TRP HD1 . . 4.090 2.615 2.288 2.689 . 0 0 "[ . 1 . 2]" 1
151 1 35 PRO HG3 1 45 HIS HE1 . . 4.380 3.441 3.257 3.816 . 0 0 "[ . 1 . 2]" 1
152 1 36 ALA H 1 36 ALA MB . . 3.470 2.875 2.863 2.885 . 0 0 "[ . 1 . 2]" 1
153 1 36 ALA H 1 37 ASP H . . 4.380 2.820 2.595 2.892 . 0 0 "[ . 1 . 2]" 1
154 1 36 ALA MB 1 37 ASP H . . 3.900 2.138 2.036 2.268 . 0 0 "[ . 1 . 2]" 1
155 1 37 ASP H 1 37 ASP HB2 . . 3.650 2.418 2.312 2.521 . 0 0 "[ . 1 . 2]" 1
156 1 37 ASP H 1 37 ASP HB3 . . 3.650 3.502 3.394 3.581 . 0 0 "[ . 1 . 2]" 1
157 1 37 ASP H 1 40 LEU QD . . 4.870 3.275 2.552 3.776 . 0 0 "[ . 1 . 2]" 1
158 1 37 ASP QB 1 40 LEU QD . . 3.670 2.806 2.057 3.439 . 0 0 "[ . 1 . 2]" 1
159 1 37 ASP HB2 1 40 LEU HG . . 4.380 3.582 3.022 3.949 . 0 0 "[ . 1 . 2]" 1
160 1 37 ASP HB3 1 40 LEU HG . . 4.380 3.997 3.721 4.301 . 0 0 "[ . 1 . 2]" 1
161 1 38 PRO HA 1 40 LEU H . . 4.910 4.122 3.562 4.332 . 0 0 "[ . 1 . 2]" 1
162 1 38 PRO HA 1 41 TRP H . . 4.650 4.571 4.337 4.650 . 11 0 "[ . 1 . 2]" 1
163 1 38 PRO HA 1 41 TRP HB2 . . 4.870 3.715 3.469 4.616 . 0 0 "[ . 1 . 2]" 1
164 1 38 PRO HA 1 41 TRP HD1 . . 4.380 3.417 3.322 4.385 0.005 18 0 "[ . 1 . 2]" 1
165 1 38 PRO HA 1 41 TRP HE1 . . 3.900 3.451 3.371 3.525 . 0 0 "[ . 1 . 2]" 1
166 1 38 PRO HA 1 41 TRP HZ2 . . 4.910 4.555 3.255 4.835 . 0 0 "[ . 1 . 2]" 1
167 1 38 PRO QB 1 99 LEU QD . . 3.580 2.975 2.172 3.520 . 0 0 "[ . 1 . 2]" 1
168 1 38 PRO QB 1 99 LEU HG . . 4.790 2.851 2.158 4.761 . 0 0 "[ . 1 . 2]" 1
169 1 38 PRO QD 1 103 ARG HA . . 4.550 3.530 2.988 3.940 . 0 0 "[ . 1 . 2]" 1
170 1 38 PRO QD 1 103 ARG QG . . 4.200 3.091 2.284 4.029 . 0 0 "[ . 1 . 2]" 1
171 1 38 PRO QG 1 99 LEU QD . . 4.460 4.001 3.277 4.401 . 0 0 "[ . 1 . 2]" 1
172 1 38 PRO QG 1 103 ARG HA . . 4.710 4.443 4.079 4.713 0.003 5 0 "[ . 1 . 2]" 1
173 1 39 THR H 1 39 THR HB . . 4.090 3.612 3.529 3.709 . 0 0 "[ . 1 . 2]" 1
174 1 39 THR H 1 39 THR MG . . 3.350 2.571 2.060 2.954 . 0 0 "[ . 1 . 2]" 1
175 1 39 THR H 1 40 LEU H . . 3.470 2.446 2.349 2.870 . 0 0 "[ . 1 . 2]" 1
176 1 39 THR H 1 41 TRP H . . 5.170 4.687 4.446 4.853 . 0 0 "[ . 1 . 2]" 1
177 1 39 THR HA 1 39 THR MG . . 3.310 2.282 2.089 2.483 . 0 0 "[ . 1 . 2]" 1
178 1 39 THR HA 1 41 TRP H . . 4.140 3.927 3.771 4.105 . 0 0 "[ . 1 . 2]" 1
179 1 39 THR HA 1 73 LYS H . . 4.650 4.427 3.874 4.585 . 0 0 "[ . 1 . 2]" 1
180 1 39 THR HB 1 40 LEU H . . 4.910 3.829 3.499 4.512 . 0 0 "[ . 1 . 2]" 1
181 1 39 THR HB 1 40 LEU QD . . 4.870 3.642 2.728 4.362 . 0 0 "[ . 1 . 2]" 1
182 1 39 THR HB 1 40 LEU HG . . 4.980 3.744 3.335 4.220 . 0 0 "[ . 1 . 2]" 1
183 1 39 THR HB 1 73 LYS QG . . 4.150 2.922 2.107 3.837 . 0 0 "[ . 1 . 2]" 1
184 1 39 THR MG 1 73 LYS HA . . 4.380 3.457 3.021 3.943 . 0 0 "[ . 1 . 2]" 1
185 1 39 THR MG 1 73 LYS HE2 . . 5.340 4.025 2.613 5.068 . 0 0 "[ . 1 . 2]" 1
186 1 39 THR MG 1 73 LYS QE . . 4.600 3.457 2.178 4.418 . 0 0 "[ . 1 . 2]" 1
187 1 39 THR MG 1 73 LYS HE3 . . 5.340 4.150 2.331 5.250 . 0 0 "[ . 1 . 2]" 1
188 1 39 THR MG 1 76 CYS HB2 . . 4.140 3.604 1.981 4.090 . 0 0 "[ . 1 . 2]" 1
189 1 39 THR MG 1 76 CYS HB3 . . 4.140 3.732 2.801 4.075 . 0 0 "[ . 1 . 2]" 1
190 1 40 LEU H 1 40 LEU HB2 . . 3.870 2.625 2.514 2.824 . 0 0 "[ . 1 . 2]" 1
191 1 40 LEU H 1 40 LEU QB . . 3.340 2.574 2.474 2.758 . 0 0 "[ . 1 . 2]" 1
192 1 40 LEU H 1 40 LEU HB3 . . 3.870 3.716 3.675 3.871 0.001 10 0 "[ . 1 . 2]" 1
193 1 40 LEU H 1 40 LEU MD1 . . 4.380 3.690 3.196 4.365 . 0 0 "[ . 1 . 2]" 1
194 1 40 LEU H 1 40 LEU QD . . 3.760 3.276 3.075 3.761 0.001 18 0 "[ . 1 . 2]" 1
195 1 40 LEU H 1 40 LEU MD2 . . 4.380 3.721 3.295 4.268 . 0 0 "[ . 1 . 2]" 1
196 1 40 LEU H 1 40 LEU HG . . 3.650 2.630 2.265 3.483 . 0 0 "[ . 1 . 2]" 1
197 1 40 LEU H 1 41 TRP H . . 3.350 3.076 2.051 3.307 . 0 0 "[ . 1 . 2]" 1
198 1 40 LEU HA 1 40 LEU MD1 . . 4.090 3.933 3.871 3.970 . 0 0 "[ . 1 . 2]" 1
199 1 40 LEU HA 1 40 LEU QD . . 2.850 2.293 1.993 2.701 . 0 0 "[ . 1 . 2]" 1
200 1 40 LEU HA 1 40 LEU MD2 . . 4.090 2.310 1.999 2.751 . 0 0 "[ . 1 . 2]" 1
201 1 40 LEU QB 1 40 LEU QD . . 2.700 1.883 1.790 1.934 . 0 0 "[ . 1 . 2]" 1
202 1 40 LEU QB 1 41 TRP HD1 . . 4.720 3.979 3.821 4.393 . 0 0 "[ . 1 . 2]" 1
203 1 40 LEU HB2 1 40 LEU MD1 . . 3.650 2.216 2.064 2.378 . 0 0 "[ . 1 . 2]" 1
204 1 40 LEU HB2 1 40 LEU MD2 . . 3.650 3.166 3.067 3.194 . 0 0 "[ . 1 . 2]" 1
205 1 40 LEU HB3 1 40 LEU MD1 . . 3.650 2.485 2.313 2.696 . 0 0 "[ . 1 . 2]" 1
206 1 40 LEU HB3 1 40 LEU MD2 . . 3.650 2.225 2.011 2.401 . 0 0 "[ . 1 . 2]" 1
207 1 41 TRP H 1 41 TRP HB2 . . 3.650 2.249 2.177 2.308 . 0 0 "[ . 1 . 2]" 1
208 1 41 TRP H 1 41 TRP HD1 . . 4.380 3.555 3.185 3.811 . 0 0 "[ . 1 . 2]" 1
209 1 41 TRP H 1 46 VAL QG . . 5.440 5.107 4.100 5.377 . 0 0 "[ . 1 . 2]" 1
210 1 41 TRP H 1 72 GLY QA . . 3.830 2.942 2.385 3.347 . 0 0 "[ . 1 . 2]" 1
211 1 41 TRP H 1 73 LYS H . . 5.500 4.538 4.152 4.922 . 0 0 "[ . 1 . 2]" 1
212 1 41 TRP HA 1 41 TRP HD1 . . 3.900 2.271 2.034 2.332 . 0 0 "[ . 1 . 2]" 1
213 1 41 TRP HA 1 42 THR H . . 3.470 2.393 2.283 2.485 . 0 0 "[ . 1 . 2]" 1
214 1 41 TRP HA 1 42 THR MG . . 4.380 3.694 3.251 3.986 . 0 0 "[ . 1 . 2]" 1
215 1 41 TRP HA 1 45 HIS HB2 . . 4.090 3.580 3.243 3.742 . 0 0 "[ . 1 . 2]" 1
216 1 41 TRP HA 1 45 HIS HB3 . . 4.910 4.235 3.667 4.356 . 0 0 "[ . 1 . 2]" 1
217 1 41 TRP HA 1 45 HIS HE1 . . 4.910 4.882 4.792 4.912 0.002 16 0 "[ . 1 . 2]" 1
218 1 41 TRP HB2 1 45 HIS HB3 . . 4.920 4.863 4.006 4.919 . 0 0 "[ . 1 . 2]" 1
219 1 41 TRP HB2 1 46 VAL QG . . 3.880 3.652 2.394 3.878 . 0 0 "[ . 1 . 2]" 1
220 1 41 TRP HB2 1 72 GLY QA . . 4.790 2.149 1.965 2.323 . 0 0 "[ . 1 . 2]" 1
221 1 41 TRP HB3 1 45 HIS HB3 . . 3.900 3.517 2.425 3.619 . 0 0 "[ . 1 . 2]" 1
222 1 41 TRP HB3 1 46 VAL QG . . 3.880 2.673 2.118 2.894 . 0 0 "[ . 1 . 2]" 1
223 1 41 TRP HB3 1 72 GLY H . . 4.920 4.259 3.902 4.623 . 0 0 "[ . 1 . 2]" 1
224 1 41 TRP HB3 1 72 GLY QA . . 4.290 2.817 2.514 3.738 . 0 0 "[ . 1 . 2]" 1
225 1 41 TRP HD1 1 42 THR H . . 4.910 4.370 3.838 4.530 . 0 0 "[ . 1 . 2]" 1
226 1 41 TRP HE1 1 102 LEU QB . . 5.340 5.041 4.701 5.326 . 0 0 "[ . 1 . 2]" 1
227 1 41 TRP HE3 1 46 VAL HA . . 3.900 2.865 2.734 3.119 . 0 0 "[ . 1 . 2]" 1
228 1 41 TRP HE3 1 46 VAL MG1 . . 4.380 3.913 3.667 4.068 . 0 0 "[ . 1 . 2]" 1
229 1 41 TRP HE3 1 46 VAL QG . . 3.250 2.238 1.979 2.729 . 0 0 "[ . 1 . 2]" 1
230 1 41 TRP HE3 1 46 VAL MG2 . . 4.380 2.255 1.985 2.810 . 0 0 "[ . 1 . 2]" 1
231 1 41 TRP HE3 1 72 GLY HA2 . . 4.910 3.710 3.367 4.120 . 0 0 "[ . 1 . 2]" 1
232 1 41 TRP HE3 1 72 GLY QA . . 4.090 3.477 3.102 3.813 . 0 0 "[ . 1 . 2]" 1
233 1 41 TRP HE3 1 72 GLY HA3 . . 4.910 4.215 3.633 4.573 . 0 0 "[ . 1 . 2]" 1
234 1 41 TRP HE3 1 75 LEU MD2 . . 3.900 2.661 2.465 2.971 . 0 0 "[ . 1 . 2]" 1
235 1 41 TRP HH2 1 102 LEU QD . . 3.880 3.458 1.977 3.879 . 0 0 "[ . 1 . 2]" 1
236 1 41 TRP HZ2 1 102 LEU QD . . 3.630 2.532 2.045 3.135 . 0 0 "[ . 1 . 2]" 1
237 1 41 TRP HZ3 1 46 VAL HA . . 4.380 2.802 2.380 4.379 . 0 0 "[ . 1 . 2]" 1
238 1 41 TRP HZ3 1 46 VAL QG . . 4.610 3.505 3.123 4.123 . 0 0 "[ . 1 . 2]" 1
239 1 41 TRP HZ3 1 49 TRP HE3 . . 4.380 3.007 2.763 3.751 . 0 0 "[ . 1 . 2]" 1
240 1 41 TRP HZ3 1 75 LEU MD2 . . 3.900 2.675 2.287 3.049 . 0 0 "[ . 1 . 2]" 1
241 1 41 TRP HZ3 1 99 LEU MD1 . . 4.910 3.734 2.953 4.862 . 0 0 "[ . 1 . 2]" 1
242 1 41 TRP HZ3 1 99 LEU QD . . 3.900 3.549 2.927 3.896 . 0 0 "[ . 1 . 2]" 1
243 1 41 TRP HZ3 1 99 LEU MD2 . . 4.910 4.769 3.957 4.908 . 0 0 "[ . 1 . 2]" 1
244 1 42 THR H 1 42 THR MG . . 3.550 2.311 2.073 2.662 . 0 0 "[ . 1 . 2]" 1
245 1 42 THR H 1 45 HIS H . . 4.380 3.247 3.104 3.417 . 0 0 "[ . 1 . 2]" 1
246 1 42 THR H 1 45 HIS HB2 . . 4.380 1.973 1.947 2.110 . 0 0 "[ . 1 . 2]" 1
247 1 42 THR H 1 45 HIS HE1 . . 4.650 4.499 4.315 4.648 . 0 0 "[ . 1 . 2]" 1
248 1 42 THR MG 1 43 GLN H . . 3.900 3.442 3.236 3.783 . 0 0 "[ . 1 . 2]" 1
249 1 42 THR MG 1 44 GLU H . . 4.380 2.951 1.913 4.224 . 0 0 "[ . 1 . 2]" 1
250 1 42 THR MG 1 44 GLU QB . . 4.790 3.082 1.971 4.447 . 0 0 "[ . 1 . 2]" 1
251 1 42 THR MG 1 45 HIS HE1 . . 3.760 2.956 2.500 3.228 . 0 0 "[ . 1 . 2]" 1
252 1 43 GLN H 1 43 GLN HB2 . . 4.090 2.994 2.209 3.596 . 0 0 "[ . 1 . 2]" 1
253 1 43 GLN H 1 43 GLN QB . . 3.290 2.435 2.187 2.635 . 0 0 "[ . 1 . 2]" 1
254 1 43 GLN H 1 43 GLN HB3 . . 4.090 3.062 2.409 3.609 . 0 0 "[ . 1 . 2]" 1
255 1 43 GLN H 1 43 GLN HG2 . . 4.490 3.060 1.993 4.169 . 0 0 "[ . 1 . 2]" 1
256 1 43 GLN H 1 43 GLN QG . . 3.780 2.433 1.983 3.315 . 0 0 "[ . 1 . 2]" 1
257 1 43 GLN H 1 43 GLN HG3 . . 4.490 3.020 2.111 3.792 . 0 0 "[ . 1 . 2]" 1
258 1 43 GLN H 1 44 GLU H . . 3.650 2.620 2.444 2.741 . 0 0 "[ . 1 . 2]" 1
259 1 43 GLN HB2 1 44 GLU H . . 4.380 3.456 2.902 4.057 . 0 0 "[ . 1 . 2]" 1
260 1 43 GLN HB3 1 44 GLU H . . 4.380 3.949 3.616 4.151 . 0 0 "[ . 1 . 2]" 1
261 1 43 GLN QG 1 44 GLU H . . 4.750 3.317 1.981 4.636 . 0 0 "[ . 1 . 2]" 1
262 1 43 GLN HG2 1 44 GLU H . . 5.500 4.015 1.992 5.438 . 0 0 "[ . 1 . 2]" 1
263 1 43 GLN HG3 1 44 GLU H . . 5.500 3.750 2.147 5.026 . 0 0 "[ . 1 . 2]" 1
264 1 44 GLU H 1 44 GLU HB2 . . 3.650 2.286 2.123 2.555 . 0 0 "[ . 1 . 2]" 1
265 1 44 GLU H 1 44 GLU QB . . 3.100 2.212 2.092 2.426 . 0 0 "[ . 1 . 2]" 1
266 1 44 GLU H 1 44 GLU HB3 . . 3.650 3.064 2.574 3.617 . 0 0 "[ . 1 . 2]" 1
267 1 44 GLU H 1 44 GLU HG2 . . 5.350 4.258 2.580 4.696 . 0 0 "[ . 1 . 2]" 1
268 1 44 GLU H 1 44 GLU QG . . 4.610 3.631 2.439 4.072 . 0 0 "[ . 1 . 2]" 1
269 1 44 GLU H 1 44 GLU HG3 . . 5.350 4.024 2.520 4.553 . 0 0 "[ . 1 . 2]" 1
270 1 44 GLU H 1 45 HIS H . . 3.650 2.448 2.387 2.546 . 0 0 "[ . 1 . 2]" 1
271 1 44 GLU HA 1 44 GLU HG2 . . 4.200 2.921 2.179 3.759 . 0 0 "[ . 1 . 2]" 1
272 1 44 GLU HA 1 44 GLU QG . . 3.610 2.289 2.020 2.774 . 0 0 "[ . 1 . 2]" 1
273 1 44 GLU HA 1 44 GLU HG3 . . 4.200 2.683 2.041 3.750 . 0 0 "[ . 1 . 2]" 1
274 1 44 GLU HA 1 47 ARG H . . 3.900 3.517 3.146 3.888 . 0 0 "[ . 1 . 2]" 1
275 1 44 GLU HA 1 47 ARG HB2 . . 5.000 3.468 2.607 4.999 . 0 0 "[ . 1 . 2]" 1
276 1 44 GLU HA 1 47 ARG QB . . 4.240 3.126 2.567 3.947 . 0 0 "[ . 1 . 2]" 1
277 1 44 GLU HA 1 47 ARG HB3 . . 5.000 3.859 3.243 4.678 . 0 0 "[ . 1 . 2]" 1
278 1 44 GLU HB2 1 45 HIS H . . 3.900 3.437 2.652 3.841 . 0 0 "[ . 1 . 2]" 1
279 1 44 GLU HB3 1 45 HIS H . . 3.900 3.064 2.490 3.868 . 0 0 "[ . 1 . 2]" 1
280 1 44 GLU HG2 1 45 HIS H . . 5.500 4.802 4.338 5.253 . 0 0 "[ . 1 . 2]" 1
281 1 44 GLU HG3 1 45 HIS H . . 5.500 4.899 4.030 5.422 . 0 0 "[ . 1 . 2]" 1
282 1 45 HIS H 1 45 HIS HB2 . . 3.650 2.314 2.278 2.366 . 0 0 "[ . 1 . 2]" 1
283 1 45 HIS H 1 45 HIS HB3 . . 3.650 3.567 3.549 3.583 . 0 0 "[ . 1 . 2]" 1
284 1 45 HIS H 1 46 VAL H . . 3.650 2.463 2.253 2.932 . 0 0 "[ . 1 . 2]" 1
285 1 45 HIS H 1 46 VAL QG . . 4.350 3.840 3.639 4.288 . 0 0 "[ . 1 . 2]" 1
286 1 45 HIS HA 1 45 HIS HD2 . . 3.640 2.684 2.489 2.796 . 0 0 "[ . 1 . 2]" 1
287 1 45 HIS HA 1 48 GLN H . . 3.900 3.640 3.231 3.866 . 0 0 "[ . 1 . 2]" 1
288 1 45 HIS HA 1 48 GLN QB . . 3.870 2.762 2.471 3.870 0.000 17 0 "[ . 1 . 2]" 1
289 1 45 HIS HA 1 48 GLN QG . . 4.790 3.893 1.982 4.714 . 0 0 "[ . 1 . 2]" 1
290 1 45 HIS HB2 1 46 VAL H . . 3.900 2.978 2.510 3.054 . 0 0 "[ . 1 . 2]" 1
291 1 45 HIS HB3 1 46 VAL H . . 4.380 3.704 3.092 3.788 . 0 0 "[ . 1 . 2]" 1
292 1 45 HIS HB3 1 46 VAL QG . . 4.350 3.861 3.640 3.962 . 0 0 "[ . 1 . 2]" 1
293 1 46 VAL H 1 46 VAL HB . . 3.470 2.541 2.498 2.632 . 0 0 "[ . 1 . 2]" 1
294 1 46 VAL H 1 46 VAL MG1 . . 4.380 3.774 3.762 3.783 . 0 0 "[ . 1 . 2]" 1
295 1 46 VAL H 1 46 VAL QG . . 3.250 2.285 2.062 2.367 . 0 0 "[ . 1 . 2]" 1
296 1 46 VAL H 1 46 VAL MG2 . . 4.380 2.305 2.072 2.392 . 0 0 "[ . 1 . 2]" 1
297 1 46 VAL H 1 47 ARG H . . 3.650 2.460 2.336 2.766 . 0 0 "[ . 1 . 2]" 1
298 1 46 VAL HA 1 46 VAL MG1 . . 3.290 2.303 2.260 2.367 . 0 0 "[ . 1 . 2]" 1
299 1 46 VAL HA 1 46 VAL MG2 . . 3.290 2.373 2.320 2.434 . 0 0 "[ . 1 . 2]" 1
300 1 46 VAL HA 1 49 TRP HB2 . . 4.380 4.308 4.028 4.381 0.001 12 0 "[ . 1 . 2]" 1
301 1 46 VAL HA 1 49 TRP HB3 . . 4.410 3.229 3.058 3.321 . 0 0 "[ . 1 . 2]" 1
302 1 46 VAL HA 1 49 TRP HE3 . . 4.910 3.490 3.382 3.741 . 0 0 "[ . 1 . 2]" 1
303 1 46 VAL HA 1 50 LEU H . . 4.910 4.437 4.270 4.560 . 0 0 "[ . 1 . 2]" 1
304 1 46 VAL HA 1 75 LEU MD2 . . 4.380 2.972 2.695 3.376 . 0 0 "[ . 1 . 2]" 1
305 1 46 VAL HB 1 47 ARG H . . 3.650 2.931 2.867 2.992 . 0 0 "[ . 1 . 2]" 1
306 1 46 VAL HB 1 47 ARG HA . . 4.910 4.377 4.286 4.425 . 0 0 "[ . 1 . 2]" 1
307 1 46 VAL HB 1 75 LEU MD2 . . 5.500 4.536 4.150 5.151 . 0 0 "[ . 1 . 2]" 1
308 1 46 VAL QG 1 47 ARG H . . 3.640 3.406 3.356 3.439 . 0 0 "[ . 1 . 2]" 1
309 1 46 VAL QG 1 47 ARG HA . . 4.070 3.641 3.505 3.713 . 0 0 "[ . 1 . 2]" 1
310 1 46 VAL QG 1 47 ARG QB . . 4.630 4.136 3.957 4.414 . 0 0 "[ . 1 . 2]" 1
311 1 46 VAL QG 1 47 ARG QG . . 5.280 4.272 3.484 5.080 . 0 0 "[ . 1 . 2]" 1
312 1 46 VAL QG 1 49 TRP HE3 . . 3.930 3.561 3.219 3.709 . 0 0 "[ . 1 . 2]" 1
313 1 46 VAL QG 1 49 TRP HZ3 . . 4.350 4.243 3.916 4.350 . 19 0 "[ . 1 . 2]" 1
314 1 46 VAL QG 1 50 LEU H . . 5.050 4.584 4.382 4.672 . 0 0 "[ . 1 . 2]" 1
315 1 46 VAL QG 1 50 LEU QD . . 3.860 3.615 2.777 3.832 . 0 0 "[ . 1 . 2]" 1
316 1 46 VAL QG 1 67 PHE HA . . 4.350 3.015 2.554 3.547 . 0 0 "[ . 1 . 2]" 1
317 1 46 VAL QG 1 67 PHE QB . . 3.620 2.233 1.968 2.715 . 0 0 "[ . 1 . 2]" 1
318 1 46 VAL QG 1 67 PHE QD . . 4.080 2.896 2.674 3.320 . 0 0 "[ . 1 . 2]" 1
319 1 46 VAL QG 1 70 MET QB . . 3.590 2.410 2.114 2.831 . 0 0 "[ . 1 . 2]" 1
320 1 46 VAL QG 1 70 MET ME . . 5.440 3.916 3.559 4.562 . 0 0 "[ . 1 . 2]" 1
321 1 46 VAL QG 1 70 MET HG3 . . 5.440 4.280 3.816 4.699 . 0 0 "[ . 1 . 2]" 1
322 1 46 VAL QG 1 72 GLY H . . 3.980 3.220 2.745 3.483 . 0 0 "[ . 1 . 2]" 1
323 1 46 VAL QG 1 72 GLY QA . . 3.610 2.472 2.246 2.797 . 0 0 "[ . 1 . 2]" 1
324 1 46 VAL QG 1 75 LEU HB2 . . 3.940 3.632 3.305 3.895 . 0 0 "[ . 1 . 2]" 1
325 1 46 VAL QG 1 75 LEU HB3 . . 4.720 4.493 4.148 4.690 . 0 0 "[ . 1 . 2]" 1
326 1 46 VAL MG1 1 47 ARG H . . 4.350 3.743 3.645 3.794 . 0 0 "[ . 1 . 2]" 1
327 1 46 VAL MG1 1 49 TRP HE3 . . 5.110 3.645 3.257 3.815 . 0 0 "[ . 1 . 2]" 1
328 1 46 VAL MG1 1 72 GLY H . . 5.500 5.072 4.652 5.393 . 0 0 "[ . 1 . 2]" 1
329 1 46 VAL MG1 1 75 LEU HB2 . . 5.140 4.372 4.036 4.641 . 0 0 "[ . 1 . 2]" 1
330 1 46 VAL MG1 1 75 LEU HB3 . . 5.500 5.128 4.694 5.357 . 0 0 "[ . 1 . 2]" 1
331 1 46 VAL MG1 1 75 LEU MD1 . . 3.760 2.045 1.839 2.242 . 0 0 "[ . 1 . 2]" 1
332 1 46 VAL MG1 1 75 LEU MD2 . . 3.410 2.327 2.005 2.947 . 0 0 "[ . 1 . 2]" 1
333 1 46 VAL MG2 1 47 ARG H . . 4.350 3.919 3.860 3.968 . 0 0 "[ . 1 . 2]" 1
334 1 46 VAL MG2 1 49 TRP HE3 . . 5.110 5.011 4.773 5.106 . 0 0 "[ . 1 . 2]" 1
335 1 46 VAL MG2 1 72 GLY H . . 5.500 3.257 2.765 3.527 . 0 0 "[ . 1 . 2]" 1
336 1 46 VAL MG2 1 75 LEU HB2 . . 5.140 3.887 3.509 4.265 . 0 0 "[ . 1 . 2]" 1
337 1 46 VAL MG2 1 75 LEU HB3 . . 5.500 4.978 4.613 5.377 . 0 0 "[ . 1 . 2]" 1
338 1 46 VAL MG2 1 75 LEU MD1 . . 3.760 2.625 1.919 3.103 . 0 0 "[ . 1 . 2]" 1
339 1 46 VAL MG2 1 75 LEU MD2 . . 3.410 2.660 2.294 3.216 . 0 0 "[ . 1 . 2]" 1
340 1 47 ARG H 1 47 ARG HB2 . . 3.670 2.422 2.152 3.655 . 0 0 "[ . 1 . 2]" 1
341 1 47 ARG H 1 47 ARG QB . . 3.090 2.235 2.126 2.553 . 0 0 "[ . 1 . 2]" 1
342 1 47 ARG H 1 47 ARG HB3 . . 3.670 3.021 2.444 3.531 . 0 0 "[ . 1 . 2]" 1
343 1 47 ARG H 1 47 ARG HG2 . . 4.650 4.182 2.218 4.617 . 0 0 "[ . 1 . 2]" 1
344 1 47 ARG H 1 47 ARG QG . . 3.990 3.582 2.196 3.978 . 0 0 "[ . 1 . 2]" 1
345 1 47 ARG H 1 47 ARG HG3 . . 4.650 4.021 3.167 4.503 . 0 0 "[ . 1 . 2]" 1
346 1 47 ARG H 1 48 GLN H . . 3.650 2.431 2.253 2.550 . 0 0 "[ . 1 . 2]" 1
347 1 47 ARG HA 1 47 ARG HD2 . . 5.360 4.311 3.205 5.361 0.001 19 0 "[ . 1 . 2]" 1
348 1 47 ARG HA 1 47 ARG QD . . 4.580 3.749 2.540 4.291 . 0 0 "[ . 1 . 2]" 1
349 1 47 ARG HA 1 47 ARG HD3 . . 5.360 4.205 2.575 4.866 . 0 0 "[ . 1 . 2]" 1
350 1 47 ARG HA 1 47 ARG HG2 . . 3.900 2.746 2.056 3.813 . 0 0 "[ . 1 . 2]" 1
351 1 47 ARG HA 1 47 ARG QG . . 3.330 2.321 2.029 3.333 0.003 19 0 "[ . 1 . 2]" 1
352 1 47 ARG HA 1 47 ARG HG3 . . 3.900 2.751 2.047 3.733 . 0 0 "[ . 1 . 2]" 1
353 1 47 ARG HA 1 50 LEU H . . 4.380 3.657 3.225 3.855 . 0 0 "[ . 1 . 2]" 1
354 1 47 ARG HA 1 50 LEU HB3 . . 4.090 3.457 3.062 3.664 . 0 0 "[ . 1 . 2]" 1
355 1 47 ARG HA 1 50 LEU QD . . 4.880 3.634 3.232 3.871 . 0 0 "[ . 1 . 2]" 1
356 1 47 ARG QB 1 47 ARG QD . . 3.250 2.110 2.018 2.249 . 0 0 "[ . 1 . 2]" 1
357 1 47 ARG QB 1 47 ARG HE . . 4.360 3.422 2.246 4.168 . 0 0 "[ . 1 . 2]" 1
358 1 47 ARG QB 1 48 GLN H . . 3.600 2.534 2.316 3.518 . 0 0 "[ . 1 . 2]" 1
359 1 47 ARG HB2 1 47 ARG HE . . 5.050 4.080 3.060 4.845 . 0 0 "[ . 1 . 2]" 1
360 1 47 ARG HB2 1 48 GLN H . . 4.110 3.252 2.602 4.006 . 0 0 "[ . 1 . 2]" 1
361 1 47 ARG HB3 1 47 ARG HE . . 5.050 3.785 2.304 4.851 . 0 0 "[ . 1 . 2]" 1
362 1 47 ARG HB3 1 48 GLN H . . 4.110 2.709 2.359 3.900 . 0 0 "[ . 1 . 2]" 1
363 1 48 GLN H 1 48 GLN HB2 . . 3.650 2.371 2.159 3.580 . 0 0 "[ . 1 . 2]" 1
364 1 48 GLN H 1 48 GLN QB . . 3.160 2.296 2.139 2.619 . 0 0 "[ . 1 . 2]" 1
365 1 48 GLN H 1 48 GLN HB3 . . 3.650 3.507 2.693 3.571 . 0 0 "[ . 1 . 2]" 1
366 1 48 GLN H 1 48 GLN HG2 . . 3.900 2.995 1.949 3.868 . 0 0 "[ . 1 . 2]" 1
367 1 48 GLN H 1 48 GLN QG . . 3.350 2.583 1.922 2.942 . 0 0 "[ . 1 . 2]" 1
368 1 48 GLN H 1 48 GLN HG3 . . 3.900 3.116 2.460 3.555 . 0 0 "[ . 1 . 2]" 1
369 1 48 GLN H 1 49 TRP H . . 3.900 2.801 2.561 2.880 . 0 0 "[ . 1 . 2]" 1
370 1 48 GLN HA 1 48 GLN HG2 . . 3.760 2.454 2.119 3.701 . 0 0 "[ . 1 . 2]" 1
371 1 48 GLN HA 1 48 GLN QG . . 3.300 2.380 2.083 3.319 0.019 17 0 "[ . 1 . 2]" 1
372 1 48 GLN HA 1 48 GLN HG3 . . 3.760 3.423 2.678 3.751 . 0 0 "[ . 1 . 2]" 1
373 1 48 GLN HA 1 51 GLU H . . 3.900 3.669 3.549 3.875 . 0 0 "[ . 1 . 2]" 1
374 1 48 GLN HA 1 51 GLU HB2 . . 3.410 2.833 2.588 3.321 . 0 0 "[ . 1 . 2]" 1
375 1 48 GLN HA 1 52 TRP H . . 4.910 4.099 3.809 4.434 . 0 0 "[ . 1 . 2]" 1
376 1 48 GLN QB 1 49 TRP H . . 4.090 2.530 2.429 3.336 . 0 0 "[ . 1 . 2]" 1
377 1 48 GLN QB 1 49 TRP HA . . 4.290 3.817 3.739 4.159 . 0 0 "[ . 1 . 2]" 1
378 1 48 GLN HB2 1 49 TRP H . . 4.910 2.634 2.510 3.557 . 0 0 "[ . 1 . 2]" 1
379 1 48 GLN HB3 1 49 TRP H . . 4.910 3.299 3.011 4.036 . 0 0 "[ . 1 . 2]" 1
380 1 49 TRP H 1 49 TRP HB2 . . 4.090 2.603 2.581 2.720 . 0 0 "[ . 1 . 2]" 1
381 1 49 TRP H 1 49 TRP HB3 . . 3.900 2.464 2.393 2.484 . 0 0 "[ . 1 . 2]" 1
382 1 49 TRP H 1 50 LEU H . . 3.900 2.831 2.474 2.950 . 0 0 "[ . 1 . 2]" 1
383 1 49 TRP HA 1 49 TRP HD1 . . 4.380 2.799 2.689 2.976 . 0 0 "[ . 1 . 2]" 1
384 1 49 TRP HA 1 52 TRP H . . 3.900 3.613 3.299 3.793 . 0 0 "[ . 1 . 2]" 1
385 1 49 TRP HA 1 52 TRP HB2 . . 4.090 3.499 2.922 3.858 . 0 0 "[ . 1 . 2]" 1
386 1 49 TRP HA 1 52 TRP QB . . 3.550 2.566 2.372 2.782 . 0 0 "[ . 1 . 2]" 1
387 1 49 TRP HA 1 52 TRP HB3 . . 4.090 2.643 2.434 2.853 . 0 0 "[ . 1 . 2]" 1
388 1 49 TRP HA 1 52 TRP HE3 . . 4.380 4.075 3.744 4.322 . 0 0 "[ . 1 . 2]" 1
389 1 49 TRP HA 1 53 ALA H . . 4.910 3.931 3.612 4.290 . 0 0 "[ . 1 . 2]" 1
390 1 49 TRP HB2 1 50 LEU H . . 4.380 3.909 3.780 4.147 . 0 0 "[ . 1 . 2]" 1
391 1 49 TRP HB3 1 50 LEU H . . 3.900 2.555 2.334 2.996 . 0 0 "[ . 1 . 2]" 1
392 1 49 TRP HB3 1 50 LEU HB2 . . 4.760 4.143 4.028 4.353 . 0 0 "[ . 1 . 2]" 1
393 1 49 TRP HD1 1 102 LEU QD . . 4.880 4.295 3.476 4.824 . 0 0 "[ . 1 . 2]" 1
394 1 49 TRP HE3 1 50 LEU H . . 4.380 3.273 3.068 3.635 . 0 0 "[ . 1 . 2]" 1
395 1 49 TRP HE3 1 50 LEU HA . . 4.380 3.778 3.461 3.989 . 0 0 "[ . 1 . 2]" 1
396 1 49 TRP HE3 1 50 LEU HB2 . . 5.120 3.471 3.324 3.655 . 0 0 "[ . 1 . 2]" 1
397 1 49 TRP HE3 1 50 LEU HB3 . . 5.220 5.091 4.955 5.197 . 0 0 "[ . 1 . 2]" 1
398 1 49 TRP HE3 1 50 LEU MD1 . . 5.220 3.191 2.634 3.890 . 0 0 "[ . 1 . 2]" 1
399 1 49 TRP HE3 1 50 LEU QD . . 4.500 3.157 2.626 3.783 . 0 0 "[ . 1 . 2]" 1
400 1 49 TRP HE3 1 50 LEU MD2 . . 5.220 5.120 4.920 5.213 . 0 0 "[ . 1 . 2]" 1
401 1 49 TRP HE3 1 75 LEU MD1 . . 5.500 4.550 3.981 4.886 . 0 0 "[ . 1 . 2]" 1
402 1 49 TRP HE3 1 75 LEU MD2 . . 4.380 2.929 2.676 3.164 . 0 0 "[ . 1 . 2]" 1
403 1 49 TRP HE3 1 75 LEU HG . . 5.500 4.955 4.782 5.126 . 0 0 "[ . 1 . 2]" 1
404 1 49 TRP HH2 1 75 LEU MD2 . . 4.380 4.088 3.400 4.327 . 0 0 "[ . 1 . 2]" 1
405 1 49 TRP HH2 1 83 PHE HZ . . 4.650 4.061 3.291 4.583 . 0 0 "[ . 1 . 2]" 1
406 1 49 TRP HH2 1 95 LEU HA . . 4.380 3.162 2.446 3.575 . 0 0 "[ . 1 . 2]" 1
407 1 49 TRP HH2 1 95 LEU HB2 . . 4.090 3.799 3.675 3.974 . 0 0 "[ . 1 . 2]" 1
408 1 49 TRP HH2 1 95 LEU QB . . 3.550 2.046 1.994 2.249 . 0 0 "[ . 1 . 2]" 1
409 1 49 TRP HH2 1 95 LEU HB3 . . 4.090 2.054 2.002 2.262 . 0 0 "[ . 1 . 2]" 1
410 1 49 TRP HH2 1 95 LEU MD1 . . 4.650 3.644 2.971 4.066 . 0 0 "[ . 1 . 2]" 1
411 1 49 TRP HH2 1 95 LEU QD . . 3.740 2.346 2.114 2.644 . 0 0 "[ . 1 . 2]" 1
412 1 49 TRP HH2 1 95 LEU MD2 . . 4.650 2.381 2.134 2.679 . 0 0 "[ . 1 . 2]" 1
413 1 49 TRP HH2 1 95 LEU HG . . 4.910 4.503 4.248 4.880 . 0 0 "[ . 1 . 2]" 1
414 1 49 TRP HH2 1 99 LEU QB . . 4.790 4.348 3.993 4.724 . 0 0 "[ . 1 . 2]" 1
415 1 49 TRP HH2 1 99 LEU MD1 . . 4.650 2.618 2.101 2.878 . 0 0 "[ . 1 . 2]" 1
416 1 49 TRP HH2 1 99 LEU QD . . 4.010 2.558 2.096 2.809 . 0 0 "[ . 1 . 2]" 1
417 1 49 TRP HH2 1 99 LEU MD2 . . 4.650 3.782 3.402 4.464 . 0 0 "[ . 1 . 2]" 1
418 1 49 TRP HZ2 1 53 ALA MB . . 5.270 4.165 3.693 4.582 . 0 0 "[ . 1 . 2]" 1
419 1 49 TRP HZ2 1 95 LEU HA . . 4.380 2.660 2.392 3.168 . 0 0 "[ . 1 . 2]" 1
420 1 49 TRP HZ2 1 95 LEU HB2 . . 5.220 4.989 4.702 5.214 . 0 0 "[ . 1 . 2]" 1
421 1 49 TRP HZ2 1 95 LEU QB . . 4.500 3.494 3.206 3.814 . 0 0 "[ . 1 . 2]" 1
422 1 49 TRP HZ2 1 95 LEU HB3 . . 5.220 3.569 3.263 3.934 . 0 0 "[ . 1 . 2]" 1
423 1 49 TRP HZ2 1 95 LEU MD1 . . 5.500 5.136 4.544 5.473 . 0 0 "[ . 1 . 2]" 1
424 1 49 TRP HZ2 1 95 LEU QD . . 3.980 2.887 2.532 3.357 . 0 0 "[ . 1 . 2]" 1
425 1 49 TRP HZ2 1 95 LEU MD2 . . 5.500 2.903 2.541 3.390 . 0 0 "[ . 1 . 2]" 1
426 1 49 TRP HZ2 1 98 HIS HB2 . . 4.910 3.638 3.233 4.740 . 0 0 "[ . 1 . 2]" 1
427 1 49 TRP HZ2 1 98 HIS HB3 . . 4.380 2.350 2.024 3.268 . 0 0 "[ . 1 . 2]" 1
428 1 49 TRP HZ2 1 99 LEU QB . . 4.550 4.239 4.027 4.431 . 0 0 "[ . 1 . 2]" 1
429 1 49 TRP HZ2 1 99 LEU MD1 . . 4.910 2.523 2.257 3.328 . 0 0 "[ . 1 . 2]" 1
430 1 49 TRP HZ2 1 99 LEU QD . . 4.090 2.510 2.253 3.262 . 0 0 "[ . 1 . 2]" 1
431 1 49 TRP HZ2 1 99 LEU MD2 . . 4.910 4.609 4.292 4.902 . 0 0 "[ . 1 . 2]" 1
432 1 49 TRP HZ2 1 99 LEU HG . . 5.500 5.162 3.171 5.488 . 0 0 "[ . 1 . 2]" 1
433 1 49 TRP HZ3 1 50 LEU QD . . 4.140 2.973 2.578 3.729 . 0 0 "[ . 1 . 2]" 1
434 1 49 TRP HZ3 1 67 PHE QD . . 4.550 4.301 3.559 4.525 . 0 0 "[ . 1 . 2]" 1
435 1 49 TRP HZ3 1 75 LEU MD2 . . 4.380 2.794 2.389 3.127 . 0 0 "[ . 1 . 2]" 1
436 1 49 TRP HZ3 1 75 LEU HG . . 3.760 3.602 3.414 3.760 . 0 0 "[ . 1 . 2]" 1
437 1 49 TRP HZ3 1 95 LEU QB . . 5.020 3.975 3.622 4.211 . 0 0 "[ . 1 . 2]" 1
438 1 49 TRP HZ3 1 95 LEU QD . . 4.350 3.155 2.683 3.470 . 0 0 "[ . 1 . 2]" 1
439 1 50 LEU H 1 50 LEU HB2 . . 3.470 2.211 2.126 2.419 . 0 0 "[ . 1 . 2]" 1
440 1 50 LEU H 1 50 LEU HB3 . . 3.650 2.854 2.590 2.977 . 0 0 "[ . 1 . 2]" 1
441 1 50 LEU H 1 50 LEU MD1 . . 4.380 3.688 3.415 3.931 . 0 0 "[ . 1 . 2]" 1
442 1 50 LEU H 1 50 LEU MD2 . . 4.380 4.290 4.216 4.364 . 0 0 "[ . 1 . 2]" 1
443 1 50 LEU H 1 50 LEU HG . . 4.650 4.493 4.396 4.551 . 0 0 "[ . 1 . 2]" 1
444 1 50 LEU H 1 51 GLU H . . 3.900 2.843 2.606 3.008 . 0 0 "[ . 1 . 2]" 1
445 1 50 LEU HA 1 50 LEU MD1 . . 3.900 2.280 1.972 2.550 . 0 0 "[ . 1 . 2]" 1
446 1 50 LEU HA 1 50 LEU QD . . 3.240 2.262 1.966 2.510 . 0 0 "[ . 1 . 2]" 1
447 1 50 LEU HA 1 50 LEU MD2 . . 3.900 3.823 3.739 3.868 . 0 0 "[ . 1 . 2]" 1
448 1 50 LEU HA 1 53 ALA H . . 4.910 3.566 3.336 3.883 . 0 0 "[ . 1 . 2]" 1
449 1 50 LEU HA 1 53 ALA MB . . 3.650 2.886 2.542 3.209 . 0 0 "[ . 1 . 2]" 1
450 1 50 LEU HB2 1 51 GLU H . . 3.900 3.413 3.286 3.518 . 0 0 "[ . 1 . 2]" 1
451 1 50 LEU HB3 1 51 GLU H . . 3.900 2.240 1.968 2.428 . 0 0 "[ . 1 . 2]" 1
452 1 50 LEU HB3 1 54 ILE MD . . 4.380 3.434 3.034 4.202 . 0 0 "[ . 1 . 2]" 1
453 1 50 LEU HB3 1 64 THR MG . . 4.090 3.958 3.817 4.064 . 0 0 "[ . 1 . 2]" 1
454 1 50 LEU QD 1 54 ILE MD . . 3.170 2.490 2.127 2.802 . 0 0 "[ . 1 . 2]" 1
455 1 50 LEU QD 1 62 ILE MD . . 3.740 2.633 2.202 3.210 . 0 0 "[ . 1 . 2]" 1
456 1 50 LEU QD 1 62 ILE MG . . 3.900 3.239 2.959 3.712 . 0 0 "[ . 1 . 2]" 1
457 1 50 LEU QD 1 64 THR HA . . 3.900 2.295 1.899 2.674 . 0 0 "[ . 1 . 2]" 1
458 1 50 LEU QD 1 64 THR HB . . 4.350 3.694 3.274 4.026 . 0 0 "[ . 1 . 2]" 1
459 1 50 LEU QD 1 64 THR MG . . 3.340 1.950 1.850 2.065 . 0 0 "[ . 1 . 2]" 1
460 1 50 LEU QD 1 67 PHE QD . . 3.550 1.984 1.882 2.149 . 0 0 "[ . 1 . 2]" 1
461 1 50 LEU QD 1 67 PHE QE . . 3.800 2.732 2.465 3.138 . 0 0 "[ . 1 . 2]" 1
462 1 50 LEU QD 1 95 LEU QD . . 4.810 2.715 2.225 3.415 . 0 0 "[ . 1 . 2]" 1
463 1 50 LEU MD1 1 54 ILE MD . . 3.900 3.402 2.492 3.671 . 0 0 "[ . 1 . 2]" 1
464 1 50 LEU MD1 1 62 ILE MG . . 4.920 4.030 3.531 4.805 . 0 0 "[ . 1 . 2]" 1
465 1 50 LEU MD1 1 64 THR HA . . 4.910 4.186 3.639 4.525 . 0 0 "[ . 1 . 2]" 1
466 1 50 LEU MD1 1 64 THR MG . . 4.350 4.078 3.487 4.343 . 0 0 "[ . 1 . 2]" 1
467 1 50 LEU MD1 1 67 PHE HB2 . . 4.380 3.135 2.339 3.727 . 0 0 "[ . 1 . 2]" 1
468 1 50 LEU MD1 1 67 PHE HB3 . . 4.380 3.189 2.233 4.217 . 0 0 "[ . 1 . 2]" 1
469 1 50 LEU MD1 1 67 PHE QD . . 4.090 2.724 2.514 2.920 . 0 0 "[ . 1 . 2]" 1
470 1 50 LEU MD1 1 67 PHE QE . . 4.380 2.911 2.623 3.273 . 0 0 "[ . 1 . 2]" 1
471 1 50 LEU MD2 1 54 ILE MD . . 3.900 2.616 2.141 3.259 . 0 0 "[ . 1 . 2]" 1
472 1 50 LEU MD2 1 62 ILE MG . . 4.920 3.450 3.093 4.132 . 0 0 "[ . 1 . 2]" 1
473 1 50 LEU MD2 1 64 THR HA . . 4.910 2.306 1.903 2.696 . 0 0 "[ . 1 . 2]" 1
474 1 50 LEU MD2 1 64 THR MG . . 4.350 1.954 1.855 2.069 . 0 0 "[ . 1 . 2]" 1
475 1 50 LEU MD2 1 67 PHE HB2 . . 4.380 2.020 1.960 2.116 . 0 0 "[ . 1 . 2]" 1
476 1 50 LEU MD2 1 67 PHE HB3 . . 4.380 3.135 2.754 3.304 . 0 0 "[ . 1 . 2]" 1
477 1 50 LEU MD2 1 67 PHE QD . . 4.090 2.042 1.917 2.252 . 0 0 "[ . 1 . 2]" 1
478 1 50 LEU MD2 1 67 PHE QE . . 4.380 3.339 2.994 4.032 . 0 0 "[ . 1 . 2]" 1
479 1 50 LEU HG 1 51 GLU H . . 4.910 4.141 3.271 4.475 . 0 0 "[ . 1 . 2]" 1
480 1 50 LEU HG 1 54 ILE MD . . 3.470 2.219 2.024 2.443 . 0 0 "[ . 1 . 2]" 1
481 1 51 GLU H 1 51 GLU HB2 . . 3.350 2.225 2.072 2.414 . 0 0 "[ . 1 . 2]" 1
482 1 51 GLU H 1 51 GLU HG2 . . 3.900 3.649 2.992 3.874 . 0 0 "[ . 1 . 2]" 1
483 1 51 GLU H 1 51 GLU QG . . 3.380 2.829 2.379 3.368 . 0 0 "[ . 1 . 2]" 1
484 1 51 GLU H 1 51 GLU HG3 . . 3.900 2.979 2.420 3.802 . 0 0 "[ . 1 . 2]" 1
485 1 51 GLU H 1 52 TRP H . . 3.350 2.704 2.568 2.861 . 0 0 "[ . 1 . 2]" 1
486 1 51 GLU HA 1 51 GLU HG2 . . 3.900 2.294 2.062 3.665 . 0 0 "[ . 1 . 2]" 1
487 1 51 GLU HA 1 51 GLU QG . . 3.350 2.182 2.035 2.472 . 0 0 "[ . 1 . 2]" 1
488 1 51 GLU HA 1 51 GLU HG3 . . 3.900 3.043 2.514 3.414 . 0 0 "[ . 1 . 2]" 1
489 1 51 GLU HA 1 54 ILE H . . 4.140 3.902 3.755 4.096 . 0 0 "[ . 1 . 2]" 1
490 1 51 GLU HA 1 54 ILE HB . . 3.550 3.014 2.839 3.116 . 0 0 "[ . 1 . 2]" 1
491 1 51 GLU HA 1 54 ILE MD . . 3.470 2.703 2.399 2.981 . 0 0 "[ . 1 . 2]" 1
492 1 51 GLU HA 1 54 ILE MG . . 4.380 4.298 4.145 4.372 . 0 0 "[ . 1 . 2]" 1
493 1 51 GLU HA 1 64 THR MG . . 5.220 4.800 4.404 5.055 . 0 0 "[ . 1 . 2]" 1
494 1 51 GLU HB2 1 52 TRP H . . 3.590 3.029 2.522 3.300 . 0 0 "[ . 1 . 2]" 1
495 1 51 GLU HB2 1 54 ILE MD . . 5.500 5.042 4.633 5.254 . 0 0 "[ . 1 . 2]" 1
496 1 51 GLU HB3 1 52 TRP H . . 4.110 3.514 3.216 3.675 . 0 0 "[ . 1 . 2]" 1
497 1 51 GLU HB3 1 52 TRP HA . . 4.380 4.150 3.950 4.319 . 0 0 "[ . 1 . 2]" 1
498 1 51 GLU HB3 1 54 ILE MD . . 5.500 5.031 4.765 5.276 . 0 0 "[ . 1 . 2]" 1
499 1 51 GLU HG2 1 64 THR MG . . 4.910 4.424 3.892 4.757 . 0 0 "[ . 1 . 2]" 1
500 1 51 GLU HG3 1 64 THR MG . . 4.910 4.486 3.748 4.858 . 0 0 "[ . 1 . 2]" 1
501 1 52 TRP H 1 52 TRP HB2 . . 3.470 2.617 2.528 2.700 . 0 0 "[ . 1 . 2]" 1
502 1 52 TRP H 1 52 TRP HB3 . . 3.470 2.490 2.424 2.564 . 0 0 "[ . 1 . 2]" 1
503 1 52 TRP H 1 52 TRP HE3 . . 5.000 4.585 4.461 4.756 . 0 0 "[ . 1 . 2]" 1
504 1 52 TRP H 1 53 ALA H . . 3.650 2.630 2.449 2.817 . 0 0 "[ . 1 . 2]" 1
505 1 52 TRP H 1 53 ALA MB . . 4.910 4.201 4.082 4.334 . 0 0 "[ . 1 . 2]" 1
506 1 52 TRP HA 1 52 TRP HD1 . . 3.900 3.171 3.054 3.304 . 0 0 "[ . 1 . 2]" 1
507 1 52 TRP HB2 1 53 ALA H . . 3.970 3.772 3.602 3.872 . 0 0 "[ . 1 . 2]" 1
508 1 52 TRP HB3 1 53 ALA H . . 3.970 2.387 2.149 2.590 . 0 0 "[ . 1 . 2]" 1
509 1 52 TRP HE3 1 53 ALA H . . 3.650 2.683 2.452 3.107 . 0 0 "[ . 1 . 2]" 1
510 1 52 TRP HE3 1 53 ALA HA . . 4.090 2.584 2.345 2.793 . 0 0 "[ . 1 . 2]" 1
511 1 52 TRP HE3 1 53 ALA MB . . 3.760 2.795 2.619 3.092 . 0 0 "[ . 1 . 2]" 1
512 1 52 TRP HE3 1 57 TYR QE . . 4.910 3.789 3.605 4.057 . 0 0 "[ . 1 . 2]" 1
513 1 52 TRP HH2 1 56 GLU HG2 . . 5.220 3.875 2.782 5.187 . 0 0 "[ . 1 . 2]" 1
514 1 52 TRP HH2 1 56 GLU QG . . 4.500 3.195 2.756 3.581 . 0 0 "[ . 1 . 2]" 1
515 1 52 TRP HH2 1 56 GLU HG3 . . 5.220 4.119 2.940 4.987 . 0 0 "[ . 1 . 2]" 1
516 1 52 TRP HH2 1 57 TYR QE . . 4.090 3.716 3.288 4.080 . 0 0 "[ . 1 . 2]" 1
517 1 52 TRP HZ2 1 56 GLU HG2 . . 4.910 3.456 2.935 4.247 . 0 0 "[ . 1 . 2]" 1
518 1 52 TRP HZ2 1 56 GLU QG . . 4.090 3.060 2.751 3.337 . 0 0 "[ . 1 . 2]" 1
519 1 52 TRP HZ2 1 56 GLU HG3 . . 4.910 4.160 2.823 4.908 . 0 0 "[ . 1 . 2]" 1
520 1 53 ALA H 1 53 ALA MB . . 3.250 2.109 2.023 2.199 . 0 0 "[ . 1 . 2]" 1
521 1 53 ALA H 1 54 ILE H . . 3.650 2.827 2.708 2.921 . 0 0 "[ . 1 . 2]" 1
522 1 53 ALA H 1 54 ILE HG13 . . 4.650 4.400 4.281 4.527 . 0 0 "[ . 1 . 2]" 1
523 1 53 ALA HA 1 56 GLU H . . 4.380 3.693 3.584 3.782 . 0 0 "[ . 1 . 2]" 1
524 1 53 ALA HA 1 56 GLU HB2 . . 4.380 3.862 3.516 4.159 . 0 0 "[ . 1 . 2]" 1
525 1 53 ALA HA 1 56 GLU QB . . 3.760 3.073 2.889 3.195 . 0 0 "[ . 1 . 2]" 1
526 1 53 ALA HA 1 56 GLU HB3 . . 4.380 3.245 2.947 3.518 . 0 0 "[ . 1 . 2]" 1
527 1 53 ALA HA 1 57 TYR QD . . 4.090 2.115 2.000 2.776 . 0 0 "[ . 1 . 2]" 1
528 1 53 ALA HA 1 57 TYR QE . . 4.380 3.208 2.992 3.487 . 0 0 "[ . 1 . 2]" 1
529 1 53 ALA MB 1 54 ILE H . . 4.190 2.438 2.275 2.576 . 0 0 "[ . 1 . 2]" 1
530 1 53 ALA MB 1 54 ILE HA . . 3.760 3.694 3.629 3.760 . 0 0 "[ . 1 . 2]" 1
531 1 53 ALA MB 1 55 LYS H . . 4.380 4.198 4.167 4.235 . 0 0 "[ . 1 . 2]" 1
532 1 53 ALA MB 1 57 TYR H . . 5.500 4.144 4.029 4.247 . 0 0 "[ . 1 . 2]" 1
533 1 53 ALA MB 1 57 TYR QD . . 3.650 2.641 2.016 3.057 . 0 0 "[ . 1 . 2]" 1
534 1 53 ALA MB 1 57 TYR QE . . 3.900 3.071 1.982 3.431 . 0 0 "[ . 1 . 2]" 1
535 1 53 ALA MB 1 98 HIS HB2 . . 5.220 5.033 4.766 5.218 . 0 0 "[ . 1 . 2]" 1
536 1 54 ILE H 1 54 ILE HB . . 3.100 2.588 2.573 2.606 . 0 0 "[ . 1 . 2]" 1
537 1 54 ILE H 1 54 ILE MD . . 3.760 3.346 3.287 3.458 . 0 0 "[ . 1 . 2]" 1
538 1 54 ILE H 1 54 ILE HG12 . . 3.470 3.398 3.327 3.434 . 0 0 "[ . 1 . 2]" 1
539 1 54 ILE H 1 54 ILE HG13 . . 3.100 1.979 1.952 2.004 . 0 0 "[ . 1 . 2]" 1
540 1 54 ILE H 1 54 ILE MG . . 3.900 3.764 3.763 3.765 . 0 0 "[ . 1 . 2]" 1
541 1 54 ILE H 1 55 LYS H . . 3.650 2.705 2.681 2.753 . 0 0 "[ . 1 . 2]" 1
542 1 54 ILE H 1 55 LYS HA . . 5.470 5.309 5.288 5.355 . 0 0 "[ . 1 . 2]" 1
543 1 54 ILE H 1 59 LEU MD1 . . 4.380 3.683 3.501 3.928 . 0 0 "[ . 1 . 2]" 1
544 1 54 ILE HA 1 54 ILE MD . . 3.900 3.876 3.856 3.882 . 0 0 "[ . 1 . 2]" 1
545 1 54 ILE HA 1 54 ILE HG12 . . 3.550 2.655 2.588 2.685 . 0 0 "[ . 1 . 2]" 1
546 1 54 ILE HA 1 54 ILE HG13 . . 3.470 2.887 2.846 2.968 . 0 0 "[ . 1 . 2]" 1
547 1 54 ILE HA 1 54 ILE MG . . 3.410 2.324 2.280 2.384 . 0 0 "[ . 1 . 2]" 1
548 1 54 ILE HA 1 55 LYS HA . . 5.420 4.680 4.652 4.709 . 0 0 "[ . 1 . 2]" 1
549 1 54 ILE HA 1 58 SER HA . . 5.500 4.272 4.165 4.369 . 0 0 "[ . 1 . 2]" 1
550 1 54 ILE HA 1 59 LEU H . . 3.650 2.504 2.427 2.602 . 0 0 "[ . 1 . 2]" 1
551 1 54 ILE HA 1 59 LEU HA . . 4.910 4.876 4.798 4.908 . 0 0 "[ . 1 . 2]" 1
552 1 54 ILE HA 1 59 LEU HB2 . . 4.090 2.876 2.787 3.000 . 0 0 "[ . 1 . 2]" 1
553 1 54 ILE HA 1 59 LEU HB3 . . 4.600 4.379 4.321 4.417 . 0 0 "[ . 1 . 2]" 1
554 1 54 ILE HA 1 59 LEU MD1 . . 3.650 2.528 2.381 2.727 . 0 0 "[ . 1 . 2]" 1
555 1 54 ILE HA 1 59 LEU MD2 . . 4.230 4.100 3.759 4.229 . 0 0 "[ . 1 . 2]" 1
556 1 54 ILE HA 1 59 LEU HG . . 3.650 2.486 2.037 2.698 . 0 0 "[ . 1 . 2]" 1
557 1 54 ILE HA 1 62 ILE MD . . 4.650 4.582 4.241 4.646 . 0 0 "[ . 1 . 2]" 1
558 1 54 ILE HB 1 54 ILE MD . . 3.130 2.352 2.229 2.399 . 0 0 "[ . 1 . 2]" 1
559 1 54 ILE HB 1 55 LYS H . . 3.040 2.979 2.900 3.006 . 0 0 "[ . 1 . 2]" 1
560 1 54 ILE MD 1 54 ILE MG . . 2.870 2.034 1.949 2.196 . 0 0 "[ . 1 . 2]" 1
561 1 54 ILE MD 1 55 LYS H . . 4.920 4.719 4.671 4.789 . 0 0 "[ . 1 . 2]" 1
562 1 54 ILE MD 1 59 LEU MD1 . . 3.870 3.812 3.675 3.868 . 0 0 "[ . 1 . 2]" 1
563 1 54 ILE MD 1 64 THR MG . . 3.100 2.765 2.195 3.018 . 0 0 "[ . 1 . 2]" 1
564 1 54 ILE HG12 1 59 LEU MD1 . . 4.380 2.470 2.250 2.590 . 0 0 "[ . 1 . 2]" 1
565 1 54 ILE HG13 1 59 LEU MD1 . . 3.500 3.113 2.935 3.329 . 0 0 "[ . 1 . 2]" 1
566 1 54 ILE MG 1 55 LYS H . . 3.900 3.746 3.692 3.803 . 0 0 "[ . 1 . 2]" 1
567 1 54 ILE MG 1 55 LYS HA . . 3.980 3.676 3.587 3.779 . 0 0 "[ . 1 . 2]" 1
568 1 54 ILE MG 1 58 SER HA . . 4.340 3.850 3.769 3.955 . 0 0 "[ . 1 . 2]" 1
569 1 54 ILE MG 1 59 LEU H . . 3.900 2.875 2.551 3.157 . 0 0 "[ . 1 . 2]" 1
570 1 54 ILE MG 1 59 LEU HA . . 4.910 4.635 4.329 4.862 . 0 0 "[ . 1 . 2]" 1
571 1 54 ILE MG 1 59 LEU HB2 . . 3.350 2.687 2.366 2.958 . 0 0 "[ . 1 . 2]" 1
572 1 54 ILE MG 1 59 LEU HB3 . . 4.690 4.227 3.923 4.476 . 0 0 "[ . 1 . 2]" 1
573 1 54 ILE MG 1 59 LEU MD1 . . 3.900 3.425 3.191 3.650 . 0 0 "[ . 1 . 2]" 1
574 1 54 ILE MG 1 64 THR MG . . 5.170 4.561 3.750 4.822 . 0 0 "[ . 1 . 2]" 1
575 1 55 LYS H 1 55 LYS HB2 . . 3.470 2.230 2.115 2.971 . 0 0 "[ . 1 . 2]" 1
576 1 55 LYS H 1 55 LYS HB3 . . 3.470 3.248 2.294 3.469 . 0 0 "[ . 1 . 2]" 1
577 1 55 LYS H 1 55 LYS HG2 . . 4.380 3.873 3.356 4.274 . 0 0 "[ . 1 . 2]" 1
578 1 55 LYS H 1 55 LYS QG . . 3.760 3.427 3.152 3.862 0.102 20 0 "[ . 1 . 2]" 1
579 1 55 LYS H 1 55 LYS HG3 . . 4.380 3.922 3.349 4.430 0.050 11 0 "[ . 1 . 2]" 1
580 1 55 LYS H 1 56 GLU H . . 3.470 2.649 2.598 2.714 . 0 0 "[ . 1 . 2]" 1
581 1 55 LYS H 1 56 GLU HA . . 5.500 5.199 5.166 5.253 . 0 0 "[ . 1 . 2]" 1
582 1 55 LYS HA 1 55 LYS HD2 . . 5.460 3.982 2.052 4.666 . 0 0 "[ . 1 . 2]" 1
583 1 55 LYS HA 1 55 LYS QD . . 4.740 3.401 2.032 4.080 . 0 0 "[ . 1 . 2]" 1
584 1 55 LYS HA 1 55 LYS HD3 . . 5.460 3.919 2.908 4.899 . 0 0 "[ . 1 . 2]" 1
585 1 55 LYS HA 1 55 LYS QE . . 3.700 3.111 2.019 3.696 . 0 0 "[ . 1 . 2]" 1
586 1 55 LYS HA 1 55 LYS HG2 . . 3.650 2.437 2.031 3.683 0.033 11 0 "[ . 1 . 2]" 1
587 1 55 LYS HA 1 55 LYS HG3 . . 3.650 3.192 2.463 3.590 . 0 0 "[ . 1 . 2]" 1
588 1 55 LYS QB 1 55 LYS QE . . 3.400 2.724 1.992 3.363 . 0 0 "[ . 1 . 2]" 1
589 1 55 LYS QB 1 56 GLU H . . 3.350 2.293 2.224 2.364 . 0 0 "[ . 1 . 2]" 1
590 1 55 LYS QB 1 57 TYR H . . 5.320 4.805 4.741 4.924 . 0 0 "[ . 1 . 2]" 1
591 1 55 LYS HB2 1 56 GLU H . . 3.900 2.772 2.488 3.709 . 0 0 "[ . 1 . 2]" 1
592 1 55 LYS HB2 1 56 GLU HA . . 5.500 4.973 4.717 5.521 0.021 11 0 "[ . 1 . 2]" 1
593 1 55 LYS HB3 1 56 GLU H . . 3.900 2.519 2.249 2.751 . 0 0 "[ . 1 . 2]" 1
594 1 55 LYS HB3 1 56 GLU HA . . 5.500 3.850 3.717 4.481 . 0 0 "[ . 1 . 2]" 1
595 1 55 LYS QE 1 55 LYS QG . . 3.250 2.148 1.963 2.467 . 0 0 "[ . 1 . 2]" 1
596 1 55 LYS QG 1 56 GLU H . . 4.590 4.046 2.659 4.248 . 0 0 "[ . 1 . 2]" 1
597 1 55 LYS HG2 1 56 GLU H . . 5.320 4.505 2.748 4.765 . 0 0 "[ . 1 . 2]" 1
598 1 55 LYS HG3 1 56 GLU H . . 5.320 4.612 3.538 4.847 . 0 0 "[ . 1 . 2]" 1
599 1 56 GLU H 1 56 GLU HB2 . . 3.650 2.238 2.080 2.451 . 0 0 "[ . 1 . 2]" 1
600 1 56 GLU H 1 56 GLU QB . . 3.160 2.155 2.053 2.243 . 0 0 "[ . 1 . 2]" 1
601 1 56 GLU H 1 56 GLU HB3 . . 3.650 2.867 2.599 3.159 . 0 0 "[ . 1 . 2]" 1
602 1 56 GLU H 1 56 GLU QG . . 4.550 3.953 3.588 4.061 . 0 0 "[ . 1 . 2]" 1
603 1 56 GLU H 1 57 TYR H . . 3.650 3.025 2.918 3.072 . 0 0 "[ . 1 . 2]" 1
604 1 56 GLU HA 1 56 GLU HG2 . . 4.090 3.218 2.418 3.691 . 0 0 "[ . 1 . 2]" 1
605 1 56 GLU HA 1 56 GLU QG . . 3.550 2.668 2.386 3.062 . 0 0 "[ . 1 . 2]" 1
606 1 56 GLU HA 1 56 GLU HG3 . . 4.090 3.190 2.622 3.661 . 0 0 "[ . 1 . 2]" 1
607 1 56 GLU HA 1 57 TYR QD . . 5.500 5.356 5.112 5.502 0.002 4 0 "[ . 1 . 2]" 1
608 1 56 GLU HA 1 58 SER H . . 4.910 4.178 4.146 4.213 . 0 0 "[ . 1 . 2]" 1
609 1 56 GLU QB 1 57 TYR QD . . 4.090 2.885 2.563 3.466 . 0 0 "[ . 1 . 2]" 1
610 1 56 GLU HB2 1 57 TYR H . . 3.900 3.363 3.064 3.566 . 0 0 "[ . 1 . 2]" 1
611 1 56 GLU HB2 1 57 TYR QD . . 4.910 4.342 3.941 4.908 . 0 0 "[ . 1 . 2]" 1
612 1 56 GLU HB3 1 57 TYR H . . 3.900 2.061 2.013 2.165 . 0 0 "[ . 1 . 2]" 1
613 1 56 GLU HB3 1 57 TYR QD . . 4.910 2.929 2.593 3.543 . 0 0 "[ . 1 . 2]" 1
614 1 56 GLU QG 1 57 TYR H . . 4.980 3.706 3.108 4.125 . 0 0 "[ . 1 . 2]" 1
615 1 56 GLU QG 1 57 TYR QD . . 4.790 4.337 3.825 4.745 . 0 0 "[ . 1 . 2]" 1
616 1 56 GLU QG 1 57 TYR QE . . 4.590 4.488 4.165 4.590 . 0 0 "[ . 1 . 2]" 1
617 1 57 TYR H 1 57 TYR HB2 . . 3.900 2.412 2.361 2.580 . 0 0 "[ . 1 . 2]" 1
618 1 57 TYR H 1 57 TYR QB . . 3.350 2.376 2.330 2.525 . 0 0 "[ . 1 . 2]" 1
619 1 57 TYR H 1 57 TYR HB3 . . 3.900 3.579 3.570 3.591 . 0 0 "[ . 1 . 2]" 1
620 1 57 TYR H 1 57 TYR QD . . 3.900 2.257 1.987 3.102 . 0 0 "[ . 1 . 2]" 1
621 1 57 TYR H 1 57 TYR QE . . 4.910 4.259 4.161 4.383 . 0 0 "[ . 1 . 2]" 1
622 1 57 TYR H 1 58 SER H . . 3.250 2.628 2.606 2.637 . 0 0 "[ . 1 . 2]" 1
623 1 57 TYR H 1 58 SER HA . . 4.920 4.895 4.873 4.905 . 0 0 "[ . 1 . 2]" 1
624 1 57 TYR H 1 59 LEU MD2 . . 5.500 4.797 4.389 4.986 . 0 0 "[ . 1 . 2]" 1
625 1 57 TYR H 1 59 LEU HG . . 4.650 4.496 4.421 4.586 . 0 0 "[ . 1 . 2]" 1
626 1 57 TYR HA 1 57 TYR QD . . 3.470 2.908 2.121 3.091 . 0 0 "[ . 1 . 2]" 1
627 1 57 TYR HA 1 57 TYR QE . . 4.650 4.597 4.416 4.649 . 0 0 "[ . 1 . 2]" 1
628 1 57 TYR HA 1 58 SER QB . . 5.120 4.229 4.042 4.544 . 0 0 "[ . 1 . 2]" 1
629 1 57 TYR QB 1 59 LEU H . . 4.060 3.456 3.295 3.875 . 0 0 "[ . 1 . 2]" 1
630 1 57 TYR QB 1 59 LEU MD1 . . 3.900 3.032 2.833 3.326 . 0 0 "[ . 1 . 2]" 1
631 1 57 TYR QB 1 59 LEU MD2 . . 3.160 2.038 1.906 2.242 . 0 0 "[ . 1 . 2]" 1
632 1 57 TYR HB2 1 59 LEU MD2 . . 3.650 2.745 2.205 2.962 . 0 0 "[ . 1 . 2]" 1
633 1 57 TYR HB2 1 59 LEU HG . . 4.090 2.491 2.364 2.669 . 0 0 "[ . 1 . 2]" 1
634 1 57 TYR HB2 1 94 VAL MG1 . . 4.090 3.617 3.431 4.072 . 0 0 "[ . 1 . 2]" 1
635 1 57 TYR HB3 1 59 LEU MD2 . . 3.650 2.108 1.968 2.341 . 0 0 "[ . 1 . 2]" 1
636 1 57 TYR HB3 1 59 LEU HG . . 4.090 3.139 2.880 3.706 . 0 0 "[ . 1 . 2]" 1
637 1 57 TYR HB3 1 94 VAL MG1 . . 4.090 3.075 2.852 3.797 . 0 0 "[ . 1 . 2]" 1
638 1 57 TYR QD 1 59 LEU MD1 . . 4.090 3.972 3.117 4.087 . 0 0 "[ . 1 . 2]" 1
639 1 57 TYR QD 1 59 LEU MD2 . . 3.900 3.543 3.157 3.817 . 0 0 "[ . 1 . 2]" 1
640 1 57 TYR QD 1 59 LEU HG . . 4.650 4.314 3.613 4.473 . 0 0 "[ . 1 . 2]" 1
641 1 57 TYR QD 1 94 VAL MG1 . . 3.900 2.544 2.312 2.752 . 0 0 "[ . 1 . 2]" 1
642 1 57 TYR QD 1 94 VAL MG2 . . 4.090 3.555 3.347 4.025 . 0 0 "[ . 1 . 2]" 1
643 1 57 TYR QE 1 59 LEU MD2 . . 5.500 5.042 4.828 5.336 . 0 0 "[ . 1 . 2]" 1
644 1 57 TYR QE 1 94 VAL MG1 . . 4.380 2.610 2.387 2.835 . 0 0 "[ . 1 . 2]" 1
645 1 57 TYR QE 1 94 VAL MG2 . . 4.380 4.036 3.744 4.381 0.001 11 0 "[ . 1 . 2]" 1
646 1 57 TYR QE 1 98 HIS HB2 . . 4.380 4.285 4.036 4.375 . 0 0 "[ . 1 . 2]" 1
647 1 58 SER H 1 58 SER HA . . 2.790 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
648 1 58 SER H 1 58 SER QB . . 3.670 3.175 2.961 3.451 . 0 0 "[ . 1 . 2]" 1
649 1 58 SER H 1 59 LEU H . . 3.650 2.844 2.770 3.046 . 0 0 "[ . 1 . 2]" 1
650 1 58 SER H 1 59 LEU HG . . 3.900 3.642 3.545 3.728 . 0 0 "[ . 1 . 2]" 1
651 1 58 SER HA 1 59 LEU H . . 3.350 2.570 2.407 2.644 . 0 0 "[ . 1 . 2]" 1
652 1 58 SER HB2 1 59 LEU H . . 5.370 4.518 4.325 4.658 . 0 0 "[ . 1 . 2]" 1
653 1 58 SER HB3 1 59 LEU H . . 5.370 4.381 4.286 4.481 . 0 0 "[ . 1 . 2]" 1
654 1 59 LEU H 1 59 LEU HB2 . . 3.470 2.638 2.602 2.704 . 0 0 "[ . 1 . 2]" 1
655 1 59 LEU H 1 59 LEU MD1 . . 3.900 3.473 3.372 3.638 . 0 0 "[ . 1 . 2]" 1
656 1 59 LEU H 1 59 LEU MD2 . . 3.650 3.319 2.889 3.498 . 0 0 "[ . 1 . 2]" 1
657 1 59 LEU H 1 59 LEU HG . . 3.350 2.088 1.999 2.341 . 0 0 "[ . 1 . 2]" 1
658 1 59 LEU HA 1 59 LEU MD1 . . 4.380 3.960 3.911 3.980 . 0 0 "[ . 1 . 2]" 1
659 1 59 LEU HA 1 59 LEU MD2 . . 3.170 2.317 2.155 2.481 . 0 0 "[ . 1 . 2]" 1
660 1 59 LEU HA 1 60 MET H . . 3.100 2.653 2.191 2.714 . 0 0 "[ . 1 . 2]" 1
661 1 59 LEU HA 1 60 MET ME . . 5.500 4.560 2.797 5.358 . 0 0 "[ . 1 . 2]" 1
662 1 59 LEU HA 1 60 MET QG . . 4.790 3.572 3.266 3.887 . 0 0 "[ . 1 . 2]" 1
663 1 59 LEU HA 1 90 TYR QE . . 4.650 4.247 3.571 4.655 0.005 15 0 "[ . 1 . 2]" 1
664 1 59 LEU HB2 1 59 LEU MD2 . . 3.320 3.169 3.155 3.190 . 0 0 "[ . 1 . 2]" 1
665 1 59 LEU HB2 1 60 MET H . . 4.430 2.927 2.715 3.919 . 0 0 "[ . 1 . 2]" 1
666 1 59 LEU HB3 1 59 LEU MD1 . . 3.550 2.519 2.321 2.600 . 0 0 "[ . 1 . 2]" 1
667 1 59 LEU HB3 1 59 LEU MD2 . . 3.650 2.211 2.119 2.311 . 0 0 "[ . 1 . 2]" 1
668 1 59 LEU HB3 1 60 MET H . . 3.900 2.094 1.969 3.071 . 0 0 "[ . 1 . 2]" 1
669 1 59 LEU MD1 1 62 ILE MD . . 3.470 2.440 1.959 2.666 . 0 0 "[ . 1 . 2]" 1
670 1 59 LEU MD1 1 91 ASN HA . . 4.090 3.813 3.428 4.038 . 0 0 "[ . 1 . 2]" 1
671 1 59 LEU MD1 1 91 ASN HB3 . . 4.910 3.324 2.795 3.831 . 0 0 "[ . 1 . 2]" 1
672 1 59 LEU MD1 1 91 ASN HD21 . . 5.050 4.060 2.985 5.026 . 0 0 "[ . 1 . 2]" 1
673 1 59 LEU MD1 1 94 VAL HB . . 3.800 3.714 3.594 3.802 0.002 15 0 "[ . 1 . 2]" 1
674 1 59 LEU MD1 1 94 VAL MG1 . . 3.900 3.323 3.073 3.704 . 0 0 "[ . 1 . 2]" 1
675 1 59 LEU MD2 1 60 MET H . . 3.870 3.611 3.506 3.790 . 0 0 "[ . 1 . 2]" 1
676 1 59 LEU MD2 1 90 TYR QD . . 3.900 3.591 3.006 3.814 . 0 0 "[ . 1 . 2]" 1
677 1 59 LEU MD2 1 90 TYR QE . . 3.350 2.933 2.095 3.219 . 0 0 "[ . 1 . 2]" 1
678 1 59 LEU MD2 1 91 ASN HA . . 3.740 3.157 2.697 3.581 . 0 0 "[ . 1 . 2]" 1
679 1 59 LEU MD2 1 91 ASN HD22 . . 4.490 3.551 2.863 4.179 . 0 0 "[ . 1 . 2]" 1
680 1 59 LEU MD2 1 94 VAL HB . . 4.090 3.202 2.915 3.653 . 0 0 "[ . 1 . 2]" 1
681 1 59 LEU MD2 1 94 VAL MG1 . . 3.470 2.683 2.307 3.418 . 0 0 "[ . 1 . 2]" 1
682 1 59 LEU MD2 1 94 VAL MG2 . . 3.410 2.912 2.569 3.171 . 0 0 "[ . 1 . 2]" 1
683 1 60 MET H 1 60 MET HB2 . . 4.090 3.877 2.828 4.008 . 0 0 "[ . 1 . 2]" 1
684 1 60 MET H 1 60 MET QB . . 3.410 3.216 2.763 3.358 . 0 0 "[ . 1 . 2]" 1
685 1 60 MET H 1 60 MET HB3 . . 4.090 3.474 2.958 3.886 . 0 0 "[ . 1 . 2]" 1
686 1 60 MET H 1 60 MET HG2 . . 3.900 2.761 2.066 3.740 . 0 0 "[ . 1 . 2]" 1
687 1 60 MET H 1 60 MET HG3 . . 3.900 3.181 2.313 3.851 . 0 0 "[ . 1 . 2]" 1
688 1 60 MET H 1 91 ASN HD22 . . 4.380 2.727 2.177 3.911 . 0 0 "[ . 1 . 2]" 1
689 1 60 MET HA 1 60 MET HG2 . . 4.090 3.680 2.387 3.994 . 0 0 "[ . 1 . 2]" 1
690 1 60 MET HA 1 60 MET HG3 . . 4.090 3.751 3.467 4.046 . 0 0 "[ . 1 . 2]" 1
691 1 60 MET HA 1 61 GLU H . . 3.250 2.265 2.146 3.393 0.143 15 0 "[ . 1 . 2]" 1
692 1 60 MET HA 1 61 GLU HG2 . . 5.500 5.019 4.632 5.484 . 0 0 "[ . 1 . 2]" 1
693 1 60 MET HA 1 61 GLU HG3 . . 5.500 4.228 3.928 4.989 . 0 0 "[ . 1 . 2]" 1
694 1 60 MET HB2 1 61 GLU H . . 4.140 3.149 2.592 4.175 0.035 15 0 "[ . 1 . 2]" 1
695 1 60 MET HB3 1 61 GLU H . . 4.140 4.000 3.162 4.175 0.035 15 0 "[ . 1 . 2]" 1
696 1 60 MET ME 1 60 MET HG2 . . 3.870 2.395 2.000 3.369 . 0 0 "[ . 1 . 2]" 1
697 1 60 MET ME 1 60 MET HG3 . . 3.870 2.818 2.323 3.383 . 0 0 "[ . 1 . 2]" 1
698 1 61 GLU H 1 61 GLU QB . . 3.580 3.328 2.586 3.419 . 0 0 "[ . 1 . 2]" 1
699 1 61 GLU H 1 61 GLU HG2 . . 4.410 3.238 2.944 3.773 . 0 0 "[ . 1 . 2]" 1
700 1 61 GLU H 1 61 GLU QG . . 3.650 2.780 2.711 3.145 . 0 0 "[ . 1 . 2]" 1
701 1 61 GLU H 1 61 GLU HG3 . . 4.410 3.059 2.818 3.545 . 0 0 "[ . 1 . 2]" 1
702 1 61 GLU H 1 62 ILE H . . 3.470 3.300 2.717 3.470 . 8 0 "[ . 1 . 2]" 1
703 1 61 GLU HA 1 61 GLU QG . . 3.150 2.456 2.113 2.563 . 0 0 "[ . 1 . 2]" 1
704 1 61 GLU HA 1 62 ILE H . . 3.040 2.308 2.202 2.708 . 0 0 "[ . 1 . 2]" 1
705 1 61 GLU HA 1 62 ILE MG . . 4.910 4.161 4.032 4.480 . 0 0 "[ . 1 . 2]" 1
706 1 61 GLU QB 1 88 THR MG . . 4.530 3.854 2.633 4.461 . 0 0 "[ . 1 . 2]" 1
707 1 61 GLU HB2 1 62 ILE H . . 5.500 4.430 4.276 4.597 . 0 0 "[ . 1 . 2]" 1
708 1 61 GLU HB2 1 88 THR MG . . 5.360 4.125 3.165 4.788 . 0 0 "[ . 1 . 2]" 1
709 1 61 GLU HB3 1 62 ILE H . . 5.500 4.084 3.905 4.482 . 0 0 "[ . 1 . 2]" 1
710 1 61 GLU HB3 1 88 THR MG . . 5.360 4.674 2.816 5.322 . 0 0 "[ . 1 . 2]" 1
711 1 61 GLU QG 1 62 ILE H . . 4.840 4.456 4.101 4.531 . 0 0 "[ . 1 . 2]" 1
712 1 61 GLU HG2 1 62 ILE H . . 5.500 4.803 4.257 5.083 . 0 0 "[ . 1 . 2]" 1
713 1 61 GLU HG3 1 62 ILE H . . 5.500 5.302 4.987 5.444 . 0 0 "[ . 1 . 2]" 1
714 1 62 ILE H 1 62 ILE HB . . 3.470 3.258 2.988 3.353 . 0 0 "[ . 1 . 2]" 1
715 1 62 ILE H 1 62 ILE QG . . 4.550 4.146 4.078 4.175 . 0 0 "[ . 1 . 2]" 1
716 1 62 ILE H 1 62 ILE MG . . 3.250 2.251 2.047 2.353 . 0 0 "[ . 1 . 2]" 1
717 1 62 ILE HA 1 62 ILE MD . . 4.550 3.671 3.537 3.767 . 0 0 "[ . 1 . 2]" 1
718 1 62 ILE HA 1 62 ILE HG12 . . 4.090 3.145 3.001 3.292 . 0 0 "[ . 1 . 2]" 1
719 1 62 ILE HA 1 62 ILE QG . . 3.550 2.266 2.229 2.317 . 0 0 "[ . 1 . 2]" 1
720 1 62 ILE HA 1 62 ILE HG13 . . 4.090 2.325 2.266 2.410 . 0 0 "[ . 1 . 2]" 1
721 1 62 ILE HA 1 63 ASP H . . 3.350 2.209 2.183 2.274 . 0 0 "[ . 1 . 2]" 1
722 1 62 ILE HA 1 63 ASP QB . . 4.790 4.143 4.023 4.428 . 0 0 "[ . 1 . 2]" 1
723 1 62 ILE HA 1 87 THR HB . . 4.090 3.324 2.697 3.597 . 0 0 "[ . 1 . 2]" 1
724 1 62 ILE HB 1 62 ILE MD . . 3.520 2.353 2.223 2.429 . 0 0 "[ . 1 . 2]" 1
725 1 62 ILE HB 1 63 ASP H . . 4.910 4.106 3.992 4.160 . 0 0 "[ . 1 . 2]" 1
726 1 62 ILE HB 1 87 THR HB . . 4.380 4.039 3.687 4.374 . 0 0 "[ . 1 . 2]" 1
727 1 62 ILE HB 1 87 THR HG1 . . 4.380 3.482 3.051 3.908 . 0 0 "[ . 1 . 2]" 1
728 1 62 ILE HB 1 87 THR MG . . 5.000 4.795 4.333 4.985 . 0 0 "[ . 1 . 2]" 1
729 1 62 ILE HB 1 91 ASN HB3 . . 5.390 4.801 4.017 5.196 . 0 0 "[ . 1 . 2]" 1
730 1 62 ILE HB 1 91 ASN HD21 . . 4.380 3.388 2.284 4.020 . 0 0 "[ . 1 . 2]" 1
731 1 62 ILE HB 1 91 ASN HD22 . . 4.380 3.592 2.539 4.028 . 0 0 "[ . 1 . 2]" 1
732 1 62 ILE MD 1 63 ASP H . . 4.510 4.022 3.804 4.140 . 0 0 "[ . 1 . 2]" 1
733 1 62 ILE MD 1 67 PHE QD . . 5.420 4.534 4.055 5.140 . 0 0 "[ . 1 . 2]" 1
734 1 62 ILE MD 1 67 PHE QE . . 3.900 3.352 3.051 3.626 . 0 0 "[ . 1 . 2]" 1
735 1 62 ILE MD 1 87 THR HB . . 3.910 2.942 2.547 3.427 . 0 0 "[ . 1 . 2]" 1
736 1 62 ILE MD 1 87 THR HG1 . . 4.910 3.577 2.641 4.159 . 0 0 "[ . 1 . 2]" 1
737 1 62 ILE MD 1 87 THR MG . . 3.470 2.928 2.741 3.106 . 0 0 "[ . 1 . 2]" 1
738 1 62 ILE MD 1 91 ASN HB2 . . 4.380 4.127 3.660 4.329 . 0 0 "[ . 1 . 2]" 1
739 1 62 ILE MD 1 91 ASN HB3 . . 4.090 3.024 2.673 3.293 . 0 0 "[ . 1 . 2]" 1
740 1 62 ILE MD 1 91 ASN HD21 . . 4.090 3.474 2.520 4.011 . 0 0 "[ . 1 . 2]" 1
741 1 62 ILE MD 1 91 ASN HD22 . . 5.410 4.044 3.282 4.399 . 0 0 "[ . 1 . 2]" 1
742 1 62 ILE MD 1 95 LEU QD . . 3.280 2.272 1.873 2.500 . 0 0 "[ . 1 . 2]" 1
743 1 62 ILE QG 1 62 ILE MG . . 3.080 2.138 2.062 2.234 . 0 0 "[ . 1 . 2]" 1
744 1 62 ILE QG 1 63 ASP H . . 4.090 2.333 2.119 2.460 . 0 0 "[ . 1 . 2]" 1
745 1 62 ILE QG 1 87 THR HB . . 4.290 2.056 1.990 2.335 . 0 0 "[ . 1 . 2]" 1
746 1 62 ILE QG 1 87 THR MG . . 4.880 3.330 2.969 3.587 . 0 0 "[ . 1 . 2]" 1
747 1 62 ILE QG 1 91 ASN HD21 . . 4.550 3.921 2.958 4.517 . 0 0 "[ . 1 . 2]" 1
748 1 62 ILE QG 1 95 LEU QD . . 4.510 3.536 3.133 3.816 . 0 0 "[ . 1 . 2]" 1
749 1 62 ILE HG12 1 63 ASP H . . 4.910 2.732 2.294 2.973 . 0 0 "[ . 1 . 2]" 1
750 1 62 ILE HG13 1 63 ASP H . . 4.910 2.554 2.297 2.834 . 0 0 "[ . 1 . 2]" 1
751 1 62 ILE MG 1 63 ASP H . . 4.090 3.740 3.597 3.810 . 0 0 "[ . 1 . 2]" 1
752 1 62 ILE MG 1 64 THR HA . . 4.380 4.288 4.217 4.365 . 0 0 "[ . 1 . 2]" 1
753 1 62 ILE MG 1 64 THR MG . . 3.350 2.942 2.745 3.156 . 0 0 "[ . 1 . 2]" 1
754 1 62 ILE MG 1 67 PHE QD . . 5.500 4.908 4.617 5.281 . 0 0 "[ . 1 . 2]" 1
755 1 62 ILE MG 1 67 PHE QE . . 4.600 4.578 4.545 4.600 . 0 0 "[ . 1 . 2]" 1
756 1 62 ILE MG 1 87 THR HB . . 4.920 4.813 4.721 4.918 . 0 0 "[ . 1 . 2]" 1
757 1 62 ILE MG 1 91 ASN HD22 . . 5.170 4.745 3.788 5.117 . 0 0 "[ . 1 . 2]" 1
758 1 63 ASP H 1 63 ASP HB2 . . 3.650 2.177 2.069 2.425 . 0 0 "[ . 1 . 2]" 1
759 1 63 ASP H 1 63 ASP HB3 . . 3.650 3.302 2.727 3.587 . 0 0 "[ . 1 . 2]" 1
760 1 63 ASP HA 1 64 THR H . . 2.980 2.177 2.170 2.219 . 0 0 "[ . 1 . 2]" 1
761 1 63 ASP HA 1 64 THR MG . . 4.910 4.443 4.170 4.624 . 0 0 "[ . 1 . 2]" 1
762 1 63 ASP HA 1 65 SER H . . 3.900 3.838 3.752 3.897 . 0 0 "[ . 1 . 2]" 1
763 1 63 ASP QB 1 64 THR H . . 4.290 3.284 3.067 3.642 . 0 0 "[ . 1 . 2]" 1
764 1 63 ASP QB 1 86 ALA HA . . 4.090 2.875 2.449 3.304 . 0 0 "[ . 1 . 2]" 1
765 1 63 ASP HB2 1 86 ALA HA . . 4.910 2.980 2.492 3.540 . 0 0 "[ . 1 . 2]" 1
766 1 63 ASP HB2 1 86 ALA MB . . 4.380 2.770 2.097 3.924 . 0 0 "[ . 1 . 2]" 1
767 1 63 ASP HB3 1 86 ALA HA . . 4.910 3.899 3.350 4.399 . 0 0 "[ . 1 . 2]" 1
768 1 63 ASP HB3 1 86 ALA MB . . 4.380 3.187 2.298 3.969 . 0 0 "[ . 1 . 2]" 1
769 1 64 THR H 1 64 THR MG . . 3.470 3.408 3.201 3.465 . 0 0 "[ . 1 . 2]" 1
770 1 64 THR H 1 65 SER H . . 3.470 1.983 1.900 2.067 . 0 0 "[ . 1 . 2]" 1
771 1 64 THR HA 1 64 THR MG . . 3.250 2.132 2.036 2.229 . 0 0 "[ . 1 . 2]" 1
772 1 64 THR HA 1 66 PHE H . . 4.380 3.928 3.774 4.222 . 0 0 "[ . 1 . 2]" 1
773 1 64 THR HA 1 67 PHE H . . 4.380 3.429 3.133 3.667 . 0 0 "[ . 1 . 2]" 1
774 1 64 THR HA 1 67 PHE QD . . 3.290 2.458 2.163 2.621 . 0 0 "[ . 1 . 2]" 1
775 1 64 THR HA 1 67 PHE QE . . 4.380 4.120 3.781 4.355 . 0 0 "[ . 1 . 2]" 1
776 1 64 THR MG 1 67 PHE QB . . 4.960 4.112 3.531 4.640 . 0 0 "[ . 1 . 2]" 1
777 1 64 THR MG 1 67 PHE QD . . 4.090 3.770 3.389 4.038 . 0 0 "[ . 1 . 2]" 1
778 1 65 SER H 1 65 SER HB2 . . 3.650 2.836 2.073 3.591 . 0 0 "[ . 1 . 2]" 1
779 1 65 SER H 1 65 SER QB . . 3.100 2.473 2.050 2.918 . 0 0 "[ . 1 . 2]" 1
780 1 65 SER H 1 65 SER HB3 . . 3.650 3.090 2.341 3.598 . 0 0 "[ . 1 . 2]" 1
781 1 65 SER H 1 66 PHE H . . 3.350 2.639 2.521 2.732 . 0 0 "[ . 1 . 2]" 1
782 1 65 SER HA 1 67 PHE H . . 5.110 3.927 3.779 4.150 . 0 0 "[ . 1 . 2]" 1
783 1 65 SER HA 1 68 GLN H . . 3.900 3.647 3.474 3.851 . 0 0 "[ . 1 . 2]" 1
784 1 65 SER HA 1 68 GLN QB . . 4.020 2.607 2.100 3.627 . 0 0 "[ . 1 . 2]" 1
785 1 65 SER HA 1 68 GLN HG2 . . 4.380 3.162 2.244 3.756 . 0 0 "[ . 1 . 2]" 1
786 1 65 SER HA 1 68 GLN QG . . 3.760 2.944 1.956 3.549 . 0 0 "[ . 1 . 2]" 1
787 1 65 SER HA 1 68 GLN HG3 . . 4.380 3.688 2.086 4.379 . 0 0 "[ . 1 . 2]" 1
788 1 65 SER QB 1 66 PHE H . . 3.630 3.066 2.647 3.578 . 0 0 "[ . 1 . 2]" 1
789 1 65 SER QB 1 68 GLN QB . . 4.670 4.034 3.561 4.594 . 0 0 "[ . 1 . 2]" 1
790 1 66 PHE H 1 66 PHE HB2 . . 3.250 2.112 2.071 2.179 . 0 0 "[ . 1 . 2]" 1
791 1 66 PHE H 1 66 PHE HB3 . . 3.250 3.124 2.955 3.230 . 0 0 "[ . 1 . 2]" 1
792 1 66 PHE H 1 66 PHE QD . . 3.900 3.566 3.291 3.889 . 0 0 "[ . 1 . 2]" 1
793 1 66 PHE H 1 86 ALA MB . . 5.400 4.961 4.602 5.242 . 0 0 "[ . 1 . 2]" 1
794 1 66 PHE HA 1 66 PHE QD . . 3.650 2.668 2.389 2.966 . 0 0 "[ . 1 . 2]" 1
795 1 66 PHE HA 1 67 PHE HA . . 5.500 4.563 4.546 4.597 . 0 0 "[ . 1 . 2]" 1
796 1 66 PHE HA 1 68 GLN H . . 3.900 3.811 3.685 3.893 . 0 0 "[ . 1 . 2]" 1
797 1 66 PHE HA 1 70 MET ME . . 4.910 4.368 3.960 4.746 . 0 0 "[ . 1 . 2]" 1
798 1 66 PHE HB2 1 67 PHE H . . 4.380 3.541 3.440 3.739 . 0 0 "[ . 1 . 2]" 1
799 1 66 PHE HB2 1 67 PHE QD . . 4.910 4.279 4.042 4.499 . 0 0 "[ . 1 . 2]" 1
800 1 66 PHE HB2 1 67 PHE QE . . 4.910 4.225 3.949 4.523 . 0 0 "[ . 1 . 2]" 1
801 1 66 PHE HB2 1 86 ALA MB . . 4.090 3.326 2.861 3.618 . 0 0 "[ . 1 . 2]" 1
802 1 66 PHE HB3 1 67 PHE H . . 3.800 3.130 2.951 3.244 . 0 0 "[ . 1 . 2]" 1
803 1 66 PHE HB3 1 67 PHE QB . . 5.340 4.520 4.454 4.573 . 0 0 "[ . 1 . 2]" 1
804 1 66 PHE HB3 1 67 PHE QD . . 4.380 3.594 3.295 3.792 . 0 0 "[ . 1 . 2]" 1
805 1 66 PHE HB3 1 67 PHE QE . . 4.910 3.592 3.306 3.865 . 0 0 "[ . 1 . 2]" 1
806 1 66 PHE HB3 1 67 PHE HZ . . 5.500 4.157 4.020 4.388 . 0 0 "[ . 1 . 2]" 1
807 1 66 PHE HB3 1 78 MET ME . . 4.650 4.475 4.173 4.651 0.001 19 0 "[ . 1 . 2]" 1
808 1 66 PHE HB3 1 86 ALA MB . . 4.090 3.328 2.738 3.717 . 0 0 "[ . 1 . 2]" 1
809 1 66 PHE QD 1 67 PHE QE . . 4.380 4.023 3.725 4.350 . 0 0 "[ . 1 . 2]" 1
810 1 66 PHE QD 1 70 MET ME . . 3.760 2.230 1.989 2.695 . 0 0 "[ . 1 . 2]" 1
811 1 66 PHE QD 1 78 MET ME . . 4.380 2.925 2.617 3.286 . 0 0 "[ . 1 . 2]" 1
812 1 66 PHE QD 1 86 ALA MB . . 4.090 3.226 2.469 3.703 . 0 0 "[ . 1 . 2]" 1
813 1 66 PHE QE 1 70 MET ME . . 3.470 2.966 2.380 3.429 . 0 0 "[ . 1 . 2]" 1
814 1 66 PHE QE 1 78 MET ME . . 4.090 2.899 2.164 3.287 . 0 0 "[ . 1 . 2]" 1
815 1 67 PHE H 1 67 PHE HB2 . . 3.900 2.685 2.616 2.722 . 0 0 "[ . 1 . 2]" 1
816 1 67 PHE H 1 67 PHE QB . . 3.290 2.628 2.565 2.663 . 0 0 "[ . 1 . 2]" 1
817 1 67 PHE H 1 67 PHE HB3 . . 3.900 3.740 3.694 3.769 . 0 0 "[ . 1 . 2]" 1
818 1 67 PHE H 1 68 GLN H . . 3.250 2.645 2.541 2.776 . 0 0 "[ . 1 . 2]" 1
819 1 67 PHE HA 1 67 PHE QD . . 3.900 2.786 2.633 3.049 . 0 0 "[ . 1 . 2]" 1
820 1 67 PHE HA 1 70 MET H . . 3.880 3.326 2.966 3.866 . 0 0 "[ . 1 . 2]" 1
821 1 67 PHE HA 1 70 MET ME . . 4.220 3.364 2.911 3.826 . 0 0 "[ . 1 . 2]" 1
822 1 67 PHE QD 1 70 MET HB2 . . 5.130 4.330 3.913 4.922 . 0 0 "[ . 1 . 2]" 1
823 1 67 PHE QD 1 70 MET QB . . 4.470 3.436 3.148 3.838 . 0 0 "[ . 1 . 2]" 1
824 1 67 PHE QD 1 70 MET HB3 . . 5.130 3.608 3.306 4.004 . 0 0 "[ . 1 . 2]" 1
825 1 67 PHE QD 1 70 MET ME . . 3.650 2.881 2.450 3.494 . 0 0 "[ . 1 . 2]" 1
826 1 67 PHE QD 1 75 LEU HG . . 3.990 3.930 3.803 3.992 0.002 19 0 "[ . 1 . 2]" 1
827 1 67 PHE QD 1 86 ALA MB . . 5.500 4.587 4.307 4.857 . 0 0 "[ . 1 . 2]" 1
828 1 67 PHE QE 1 70 MET ME . . 4.090 3.060 2.662 3.604 . 0 0 "[ . 1 . 2]" 1
829 1 67 PHE QE 1 75 LEU MD1 . . 4.380 3.085 2.672 3.655 . 0 0 "[ . 1 . 2]" 1
830 1 67 PHE QE 1 75 LEU HG . . 3.770 3.610 3.327 3.770 . 7 0 "[ . 1 . 2]" 1
831 1 67 PHE QE 1 78 MET ME . . 3.410 3.086 2.600 3.411 0.001 17 0 "[ . 1 . 2]" 1
832 1 67 PHE QE 1 83 PHE QD . . 4.560 3.793 3.407 4.009 . 0 0 "[ . 1 . 2]" 1
833 1 67 PHE QE 1 83 PHE HZ . . 5.110 3.726 2.918 4.169 . 0 0 "[ . 1 . 2]" 1
834 1 67 PHE QE 1 86 ALA MB . . 3.550 3.041 2.643 3.378 . 0 0 "[ . 1 . 2]" 1
835 1 67 PHE QE 1 95 LEU MD1 . . 5.360 3.841 3.414 4.229 . 0 0 "[ . 1 . 2]" 1
836 1 67 PHE QE 1 95 LEU QD . . 4.660 3.647 3.281 3.936 . 0 0 "[ . 1 . 2]" 1
837 1 67 PHE QE 1 95 LEU MD2 . . 5.360 4.594 4.176 5.245 . 0 0 "[ . 1 . 2]" 1
838 1 67 PHE HZ 1 78 MET ME . . 4.380 3.557 3.108 4.091 . 0 0 "[ . 1 . 2]" 1
839 1 67 PHE HZ 1 83 PHE QD . . 4.090 2.856 2.606 3.151 . 0 0 "[ . 1 . 2]" 1
840 1 67 PHE HZ 1 83 PHE QE . . 3.990 2.621 2.009 3.212 . 0 0 "[ . 1 . 2]" 1
841 1 67 PHE HZ 1 86 ALA MB . . 3.760 2.834 2.486 3.290 . 0 0 "[ . 1 . 2]" 1
842 1 67 PHE HZ 1 87 THR MG . . 4.910 4.306 3.876 4.720 . 0 0 "[ . 1 . 2]" 1
843 1 67 PHE HZ 1 95 LEU QD . . 4.350 3.265 2.759 3.612 . 0 0 "[ . 1 . 2]" 1
844 1 68 GLN H 1 68 GLN HB2 . . 3.650 3.182 2.113 3.649 . 0 0 "[ . 1 . 2]" 1
845 1 68 GLN H 1 68 GLN QB . . 3.040 2.393 2.094 2.556 . 0 0 "[ . 1 . 2]" 1
846 1 68 GLN H 1 68 GLN HB3 . . 3.650 2.826 2.501 3.482 . 0 0 "[ . 1 . 2]" 1
847 1 68 GLN H 1 68 GLN HG2 . . 3.900 2.935 2.210 3.636 . 0 0 "[ . 1 . 2]" 1
848 1 68 GLN H 1 68 GLN QG . . 3.350 2.466 2.183 3.158 . 0 0 "[ . 1 . 2]" 1
849 1 68 GLN H 1 68 GLN HG3 . . 3.900 3.124 2.215 3.808 . 0 0 "[ . 1 . 2]" 1
850 1 68 GLN H 1 69 ASN H . . 3.650 2.551 2.268 3.112 . 0 0 "[ . 1 . 2]" 1
851 1 68 GLN H 1 70 MET H . . 5.170 3.971 3.541 4.973 . 0 0 "[ . 1 . 2]" 1
852 1 68 GLN H 1 70 MET ME . . 5.500 5.313 4.929 5.499 . 0 0 "[ . 1 . 2]" 1
853 1 68 GLN QB 1 69 ASN H . . 3.570 3.128 2.129 3.567 . 0 0 "[ . 1 . 2]" 1
854 1 68 GLN HB2 1 69 ASN H . . 4.140 3.540 2.387 4.064 . 0 0 "[ . 1 . 2]" 1
855 1 68 GLN HB3 1 69 ASN H . . 4.140 3.488 2.318 3.980 . 0 0 "[ . 1 . 2]" 1
856 1 68 GLN QG 1 69 ASN H . . 4.250 2.712 2.019 4.195 . 0 0 "[ . 1 . 2]" 1
857 1 68 GLN HG2 1 69 ASN H . . 4.910 3.498 2.181 4.704 . 0 0 "[ . 1 . 2]" 1
858 1 68 GLN HG3 1 69 ASN H . . 4.910 3.156 2.027 4.714 . 0 0 "[ . 1 . 2]" 1
859 1 69 ASN H 1 69 ASN HB2 . . 3.900 3.181 2.546 3.900 0.000 12 0 "[ . 1 . 2]" 1
860 1 69 ASN H 1 69 ASN QB . . 3.350 2.835 2.462 3.304 . 0 0 "[ . 1 . 2]" 1
861 1 69 ASN H 1 69 ASN HB3 . . 3.900 3.345 2.750 3.883 . 0 0 "[ . 1 . 2]" 1
862 1 69 ASN H 1 70 MET H . . 3.250 2.491 2.043 3.009 . 0 0 "[ . 1 . 2]" 1
863 1 69 ASN QB 1 69 ASN QD . . 3.010 2.187 2.066 2.443 . 0 0 "[ . 1 . 2]" 1
864 1 70 MET H 1 70 MET HB2 . . 3.650 2.715 2.448 3.121 . 0 0 "[ . 1 . 2]" 1
865 1 70 MET H 1 70 MET QB . . 3.150 2.327 2.234 2.519 . 0 0 "[ . 1 . 2]" 1
866 1 70 MET H 1 70 MET HB3 . . 3.650 2.546 2.392 2.711 . 0 0 "[ . 1 . 2]" 1
867 1 70 MET H 1 70 MET ME . . 4.920 4.835 4.688 4.919 . 0 0 "[ . 1 . 2]" 1
868 1 70 MET H 1 70 MET HG2 . . 5.350 4.556 4.368 4.737 . 0 0 "[ . 1 . 2]" 1
869 1 70 MET H 1 70 MET HG3 . . 4.600 4.451 4.393 4.515 . 0 0 "[ . 1 . 2]" 1
870 1 70 MET HA 1 70 MET ME . . 4.750 4.470 3.986 4.680 . 0 0 "[ . 1 . 2]" 1
871 1 70 MET HA 1 70 MET HG2 . . 3.760 3.600 3.199 3.745 . 0 0 "[ . 1 . 2]" 1
872 1 70 MET HA 1 70 MET HG3 . . 3.760 2.467 2.348 2.676 . 0 0 "[ . 1 . 2]" 1
873 1 70 MET HA 1 71 ASP H . . 3.100 2.192 2.158 2.239 . 0 0 "[ . 1 . 2]" 1
874 1 70 MET HA 1 74 GLU QB . . 4.590 4.343 4.122 4.510 . 0 0 "[ . 1 . 2]" 1
875 1 70 MET QB 1 70 MET ME . . 3.450 2.533 2.354 2.716 . 0 0 "[ . 1 . 2]" 1
876 1 70 MET QB 1 71 ASP H . . 4.060 3.637 3.524 3.729 . 0 0 "[ . 1 . 2]" 1
877 1 70 MET HB2 1 70 MET ME . . 4.180 2.757 2.461 3.000 . 0 0 "[ . 1 . 2]" 1
878 1 70 MET HB2 1 71 ASP H . . 4.720 4.143 4.021 4.237 . 0 0 "[ . 1 . 2]" 1
879 1 70 MET HB3 1 70 MET ME . . 4.180 3.029 2.617 3.564 . 0 0 "[ . 1 . 2]" 1
880 1 70 MET HB3 1 71 ASP H . . 4.720 4.032 3.829 4.245 . 0 0 "[ . 1 . 2]" 1
881 1 70 MET ME 1 70 MET HG2 . . 3.410 2.401 2.161 3.310 . 0 0 "[ . 1 . 2]" 1
882 1 70 MET ME 1 70 MET HG3 . . 3.400 3.229 2.291 3.380 . 0 0 "[ . 1 . 2]" 1
883 1 70 MET ME 1 74 GLU QG . . 4.800 4.564 4.059 4.791 . 0 0 "[ . 1 . 2]" 1
884 1 70 MET ME 1 75 LEU H . . 4.910 4.460 4.012 4.888 . 0 0 "[ . 1 . 2]" 1
885 1 70 MET ME 1 75 LEU HA . . 3.900 3.354 2.930 3.785 . 0 0 "[ . 1 . 2]" 1
886 1 70 MET ME 1 75 LEU HG . . 4.600 4.137 3.509 4.582 . 0 0 "[ . 1 . 2]" 1
887 1 70 MET ME 1 78 MET QB . . 4.500 4.115 3.811 4.424 . 0 0 "[ . 1 . 2]" 1
888 1 70 MET ME 1 78 MET ME . . 3.550 2.591 2.093 3.185 . 0 0 "[ . 1 . 2]" 1
889 1 70 MET ME 1 78 MET HG2 . . 3.870 3.686 3.241 3.869 . 0 0 "[ . 1 . 2]" 1
890 1 70 MET ME 1 78 MET HG3 . . 3.900 2.903 2.560 3.519 . 0 0 "[ . 1 . 2]" 1
891 1 70 MET ME 1 83 PHE QD . . 5.500 5.202 4.768 5.497 . 0 0 "[ . 1 . 2]" 1
892 1 70 MET HG2 1 71 ASP H . . 4.090 3.640 2.981 4.078 . 0 0 "[ . 1 . 2]" 1
893 1 70 MET HG2 1 74 GLU QB . . 3.900 2.694 2.417 3.227 . 0 0 "[ . 1 . 2]" 1
894 1 70 MET HG2 1 75 LEU H . . 4.910 3.667 3.391 3.941 . 0 0 "[ . 1 . 2]" 1
895 1 70 MET HG2 1 75 LEU MD1 . . 4.460 2.217 1.992 2.546 . 0 0 "[ . 1 . 2]" 1
896 1 70 MET HG2 1 75 LEU MD2 . . 5.500 4.694 4.270 5.247 . 0 0 "[ . 1 . 2]" 1
897 1 70 MET HG2 1 75 LEU HG . . 5.220 4.819 4.334 5.172 . 0 0 "[ . 1 . 2]" 1
898 1 70 MET HG3 1 74 GLU HA . . 5.500 5.287 5.130 5.422 . 0 0 "[ . 1 . 2]" 1
899 1 70 MET HG3 1 74 GLU QB . . 3.830 2.419 2.239 2.537 . 0 0 "[ . 1 . 2]" 1
900 1 70 MET HG3 1 75 LEU H . . 4.650 4.437 3.896 4.606 . 0 0 "[ . 1 . 2]" 1
901 1 71 ASP H 1 74 GLU QB . . 3.480 3.083 2.846 3.421 . 0 0 "[ . 1 . 2]" 1
902 1 71 ASP HA 1 72 GLY H . . 3.550 2.194 2.189 2.198 . 0 0 "[ . 1 . 2]" 1
903 1 71 ASP QB 1 72 GLY H . . 3.240 2.998 2.974 3.022 . 0 0 "[ . 1 . 2]" 1
904 1 71 ASP HB2 1 72 GLY H . . 3.900 3.756 3.077 3.896 . 0 0 "[ . 1 . 2]" 1
905 1 71 ASP HB2 1 73 LYS H . . 4.380 3.169 2.545 3.581 . 0 0 "[ . 1 . 2]" 1
906 1 71 ASP HB3 1 72 GLY H . . 3.900 3.249 3.114 3.943 0.043 9 0 "[ . 1 . 2]" 1
907 1 71 ASP HB3 1 73 LYS H . . 4.380 3.292 2.960 4.374 . 0 0 "[ . 1 . 2]" 1
908 1 72 GLY H 1 73 LYS H . . 3.650 2.804 2.770 2.869 . 0 0 "[ . 1 . 2]" 1
909 1 72 GLY QA 1 75 LEU H . . 4.290 3.278 3.064 3.486 . 0 0 "[ . 1 . 2]" 1
910 1 72 GLY QA 1 75 LEU HB2 . . 4.290 2.662 2.269 2.986 . 0 0 "[ . 1 . 2]" 1
911 1 72 GLY QA 1 75 LEU HB3 . . 4.560 4.108 3.599 4.490 . 0 0 "[ . 1 . 2]" 1
912 1 72 GLY QA 1 75 LEU MD1 . . 4.920 3.136 2.740 3.404 . 0 0 "[ . 1 . 2]" 1
913 1 72 GLY QA 1 75 LEU MD2 . . 4.790 3.095 2.567 3.907 . 0 0 "[ . 1 . 2]" 1
914 1 73 LYS H 1 73 LYS HB2 . . 3.470 2.101 2.060 2.143 . 0 0 "[ . 1 . 2]" 1
915 1 73 LYS H 1 73 LYS QB . . 2.980 2.082 2.039 2.123 . 0 0 "[ . 1 . 2]" 1
916 1 73 LYS H 1 73 LYS HB3 . . 3.470 3.384 3.274 3.459 . 0 0 "[ . 1 . 2]" 1
917 1 73 LYS H 1 73 LYS HG2 . . 4.090 3.692 3.141 4.060 . 0 0 "[ . 1 . 2]" 1
918 1 73 LYS H 1 73 LYS QG . . 3.410 3.165 2.943 3.383 . 0 0 "[ . 1 . 2]" 1
919 1 73 LYS H 1 73 LYS HG3 . . 4.090 3.568 3.044 4.028 . 0 0 "[ . 1 . 2]" 1
920 1 73 LYS HA 1 73 LYS HD2 . . 5.120 4.021 2.541 4.677 . 0 0 "[ . 1 . 2]" 1
921 1 73 LYS HA 1 73 LYS QD . . 4.470 3.327 2.304 4.059 . 0 0 "[ . 1 . 2]" 1
922 1 73 LYS HA 1 73 LYS HD3 . . 5.120 3.598 2.361 4.467 . 0 0 "[ . 1 . 2]" 1
923 1 73 LYS HA 1 73 LYS HG2 . . 3.900 2.188 2.028 2.449 . 0 0 "[ . 1 . 2]" 1
924 1 73 LYS HA 1 73 LYS QG . . 3.410 2.150 2.007 2.410 . 0 0 "[ . 1 . 2]" 1
925 1 73 LYS HA 1 73 LYS HG3 . . 3.900 3.230 2.757 3.597 . 0 0 "[ . 1 . 2]" 1
926 1 73 LYS HA 1 76 CYS H . . 4.380 3.839 3.580 4.105 . 0 0 "[ . 1 . 2]" 1
927 1 73 LYS HA 1 76 CYS QB . . 4.550 3.955 3.181 4.546 . 0 0 "[ . 1 . 2]" 1
928 1 73 LYS QB 1 73 LYS QD . . 3.210 2.064 1.962 2.214 . 0 0 "[ . 1 . 2]" 1
929 1 73 LYS QB 1 73 LYS QE . . 4.310 3.230 2.276 3.716 . 0 0 "[ . 1 . 2]" 1
930 1 73 LYS QB 1 74 GLU H . . 3.350 2.876 2.705 2.962 . 0 0 "[ . 1 . 2]" 1
931 1 73 LYS HB2 1 73 LYS HE2 . . 5.500 4.728 3.502 5.451 . 0 0 "[ . 1 . 2]" 1
932 1 73 LYS HB2 1 73 LYS HE3 . . 5.500 4.302 3.064 4.936 . 0 0 "[ . 1 . 2]" 1
933 1 73 LYS HB2 1 74 GLU H . . 3.900 3.166 2.923 3.315 . 0 0 "[ . 1 . 2]" 1
934 1 73 LYS HB3 1 73 LYS HE2 . . 5.500 4.102 3.126 4.675 . 0 0 "[ . 1 . 2]" 1
935 1 73 LYS HB3 1 73 LYS HE3 . . 5.500 3.847 2.366 4.582 . 0 0 "[ . 1 . 2]" 1
936 1 73 LYS HB3 1 74 GLU H . . 3.900 3.318 3.036 3.520 . 0 0 "[ . 1 . 2]" 1
937 1 73 LYS QE 1 73 LYS QG . . 3.260 2.094 1.973 2.272 . 0 0 "[ . 1 . 2]" 1
938 1 73 LYS QG 1 74 GLU H . . 5.340 4.514 4.409 4.576 . 0 0 "[ . 1 . 2]" 1
939 1 74 GLU H 1 74 GLU HB2 . . 3.470 2.094 2.067 2.148 . 0 0 "[ . 1 . 2]" 1
940 1 74 GLU H 1 74 GLU QB . . 3.030 2.072 2.045 2.125 . 0 0 "[ . 1 . 2]" 1
941 1 74 GLU H 1 74 GLU HB3 . . 3.470 3.306 3.160 3.416 . 0 0 "[ . 1 . 2]" 1
942 1 74 GLU H 1 74 GLU HG2 . . 4.390 4.150 3.446 4.390 . 0 0 "[ . 1 . 2]" 1
943 1 74 GLU H 1 74 GLU QG . . 3.560 3.360 3.148 3.556 . 0 0 "[ . 1 . 2]" 1
944 1 74 GLU H 1 74 GLU HG3 . . 4.390 3.631 3.248 4.286 . 0 0 "[ . 1 . 2]" 1
945 1 74 GLU H 1 75 LEU H . . 3.470 2.523 2.337 2.677 . 0 0 "[ . 1 . 2]" 1
946 1 74 GLU H 1 75 LEU MD1 . . 5.500 4.355 3.812 4.740 . 0 0 "[ . 1 . 2]" 1
947 1 74 GLU HA 1 74 GLU HG2 . . 3.900 2.366 2.022 2.623 . 0 0 "[ . 1 . 2]" 1
948 1 74 GLU HA 1 74 GLU QG . . 3.380 2.200 2.004 2.321 . 0 0 "[ . 1 . 2]" 1
949 1 74 GLU HA 1 74 GLU HG3 . . 3.900 2.820 2.416 3.563 . 0 0 "[ . 1 . 2]" 1
950 1 74 GLU HA 1 77 LYS H . . 3.900 3.232 3.102 3.486 . 0 0 "[ . 1 . 2]" 1
951 1 74 GLU HA 1 77 LYS HB2 . . 4.380 2.540 2.001 3.445 . 0 0 "[ . 1 . 2]" 1
952 1 74 GLU HA 1 77 LYS HB3 . . 4.380 3.466 2.074 4.329 . 0 0 "[ . 1 . 2]" 1
953 1 74 GLU HA 1 77 LYS HD2 . . 4.420 3.034 2.025 4.421 0.001 18 0 "[ . 1 . 2]" 1
954 1 74 GLU HA 1 77 LYS QD . . 3.650 2.603 1.988 3.227 . 0 0 "[ . 1 . 2]" 1
955 1 74 GLU HA 1 77 LYS HD3 . . 4.420 3.434 2.146 4.423 0.003 16 0 "[ . 1 . 2]" 1
956 1 74 GLU HA 1 77 LYS HE2 . . 5.500 5.115 4.433 5.500 0.000 17 0 "[ . 1 . 2]" 1
957 1 74 GLU HA 1 77 LYS HE3 . . 5.500 4.864 3.431 5.501 0.001 16 0 "[ . 1 . 2]" 1
958 1 74 GLU HA 1 77 LYS QG . . 4.150 3.600 3.151 4.078 . 0 0 "[ . 1 . 2]" 1
959 1 74 GLU QB 1 75 LEU H . . 3.410 2.811 2.732 2.956 . 0 0 "[ . 1 . 2]" 1
960 1 74 GLU HB2 1 75 LEU H . . 4.090 3.184 2.990 3.377 . 0 0 "[ . 1 . 2]" 1
961 1 74 GLU HB3 1 75 LEU H . . 4.090 3.144 2.963 3.380 . 0 0 "[ . 1 . 2]" 1
962 1 74 GLU QG 1 77 LYS QB . . 4.200 3.392 3.082 3.833 . 0 0 "[ . 1 . 2]" 1
963 1 74 GLU QG 1 77 LYS QD . . 3.960 3.039 2.669 3.605 . 0 0 "[ . 1 . 2]" 1
964 1 74 GLU HG2 1 77 LYS HD2 . . 5.500 4.006 2.958 5.482 . 0 0 "[ . 1 . 2]" 1
965 1 74 GLU HG2 1 77 LYS HD3 . . 5.500 3.827 3.019 5.043 . 0 0 "[ . 1 . 2]" 1
966 1 74 GLU HG3 1 77 LYS HD2 . . 5.500 4.415 3.158 5.461 . 0 0 "[ . 1 . 2]" 1
967 1 74 GLU HG3 1 77 LYS HD3 . . 5.500 4.468 2.970 5.497 . 0 0 "[ . 1 . 2]" 1
968 1 75 LEU H 1 75 LEU HB2 . . 3.380 2.065 2.040 2.124 . 0 0 "[ . 1 . 2]" 1
969 1 75 LEU H 1 75 LEU HB3 . . 3.520 3.342 3.198 3.448 . 0 0 "[ . 1 . 2]" 1
970 1 75 LEU H 1 75 LEU MD1 . . 3.880 2.611 2.212 2.982 . 0 0 "[ . 1 . 2]" 1
971 1 75 LEU H 1 75 LEU MD2 . . 4.380 4.028 3.848 4.329 . 0 0 "[ . 1 . 2]" 1
972 1 75 LEU H 1 75 LEU HG . . 4.630 4.248 4.120 4.375 . 0 0 "[ . 1 . 2]" 1
973 1 75 LEU H 1 76 CYS H . . 3.650 2.855 2.693 3.038 . 0 0 "[ . 1 . 2]" 1
974 1 75 LEU HA 1 75 LEU MD1 . . 4.010 2.319 2.054 2.766 . 0 0 "[ . 1 . 2]" 1
975 1 75 LEU HA 1 75 LEU MD2 . . 4.380 3.760 3.655 3.790 . 0 0 "[ . 1 . 2]" 1
976 1 75 LEU HA 1 75 LEU HG . . 3.250 2.492 2.251 2.618 . 0 0 "[ . 1 . 2]" 1
977 1 75 LEU HB2 1 76 CYS H . . 3.900 3.020 2.535 3.321 . 0 0 "[ . 1 . 2]" 1
978 1 75 LEU HB3 1 75 LEU MD2 . . 3.510 2.285 2.084 2.446 . 0 0 "[ . 1 . 2]" 1
979 1 75 LEU HB3 1 76 CYS H . . 3.650 2.854 2.378 3.377 . 0 0 "[ . 1 . 2]" 1
980 1 75 LEU HB3 1 76 CYS HA . . 4.090 3.875 3.726 4.038 . 0 0 "[ . 1 . 2]" 1
981 1 75 LEU HB3 1 83 PHE HZ . . 5.500 4.160 3.699 4.863 . 0 0 "[ . 1 . 2]" 1
982 1 75 LEU MD1 1 83 PHE QE . . 4.610 4.207 3.814 4.591 . 0 0 "[ . 1 . 2]" 1
983 1 75 LEU MD1 1 83 PHE HZ . . 5.500 4.100 3.708 4.611 . 0 0 "[ . 1 . 2]" 1
984 1 75 LEU MD2 1 99 LEU MD1 . . 3.550 2.495 1.974 2.888 . 0 0 "[ . 1 . 2]" 1
985 1 75 LEU MD2 1 99 LEU QD . . 3.060 2.163 1.759 2.555 . 0 0 "[ . 1 . 2]" 1
986 1 75 LEU MD2 1 99 LEU MD2 . . 3.550 2.409 1.969 3.415 . 0 0 "[ . 1 . 2]" 1
987 1 75 LEU HG 1 78 MET HG3 . . 4.920 4.544 3.972 4.907 . 0 0 "[ . 1 . 2]" 1
988 1 75 LEU HG 1 83 PHE QE . . 4.250 3.801 3.478 4.241 . 0 0 "[ . 1 . 2]" 1
989 1 75 LEU HG 1 83 PHE HZ . . 3.470 2.906 2.615 3.142 . 0 0 "[ . 1 . 2]" 1
990 1 75 LEU HG 1 99 LEU MD1 . . 4.090 3.738 3.038 4.083 . 0 0 "[ . 1 . 2]" 1
991 1 75 LEU HG 1 99 LEU MD2 . . 4.090 2.915 2.425 3.622 . 0 0 "[ . 1 . 2]" 1
992 1 76 CYS H 1 76 CYS HB2 . . 3.650 2.907 2.106 3.601 . 0 0 "[ . 1 . 2]" 1
993 1 76 CYS H 1 76 CYS QB . . 3.160 2.378 2.087 2.542 . 0 0 "[ . 1 . 2]" 1
994 1 76 CYS H 1 76 CYS HB3 . . 3.650 3.070 2.420 3.632 . 0 0 "[ . 1 . 2]" 1
995 1 76 CYS H 1 76 CYS HG . . 3.470 2.965 2.196 3.457 . 0 0 "[ . 1 . 2]" 1
996 1 76 CYS H 1 77 LYS H . . 3.650 2.547 2.455 2.693 . 0 0 "[ . 1 . 2]" 1
997 1 76 CYS HA 1 78 MET H . . 4.380 4.043 3.951 4.229 . 0 0 "[ . 1 . 2]" 1
998 1 76 CYS QB 1 77 LYS H . . 4.060 3.051 2.390 3.622 . 0 0 "[ . 1 . 2]" 1
999 1 77 LYS H 1 77 LYS HB2 . . 3.690 2.391 2.086 2.858 . 0 0 "[ . 1 . 2]" 1
1000 1 77 LYS H 1 77 LYS QB . . 3.050 2.238 2.059 2.470 . 0 0 "[ . 1 . 2]" 1
1001 1 77 LYS H 1 77 LYS HB3 . . 3.690 3.246 2.295 3.588 . 0 0 "[ . 1 . 2]" 1
1002 1 77 LYS H 1 77 LYS QD . . 4.730 3.870 2.872 4.549 . 0 0 "[ . 1 . 2]" 1
1003 1 77 LYS H 1 77 LYS HG2 . . 4.380 4.020 3.454 4.368 . 0 0 "[ . 1 . 2]" 1
1004 1 77 LYS H 1 77 LYS QG . . 3.760 2.965 2.101 3.884 0.124 17 0 "[ . 1 . 2]" 1
1005 1 77 LYS H 1 77 LYS HG3 . . 4.380 3.137 2.120 4.468 0.088 16 0 "[ . 1 . 2]" 1
1006 1 77 LYS H 1 78 MET H . . 3.250 2.579 2.406 2.711 . 0 0 "[ . 1 . 2]" 1
1007 1 77 LYS HA 1 77 LYS HG2 . . 3.550 2.804 2.219 3.590 0.040 18 0 "[ . 1 . 2]" 1
1008 1 77 LYS HA 1 77 LYS HG3 . . 3.550 2.668 2.329 2.968 . 0 0 "[ . 1 . 2]" 1
1009 1 77 LYS QB 1 77 LYS QD . . 3.190 2.094 1.972 2.160 . 0 0 "[ . 1 . 2]" 1
1010 1 77 LYS QB 1 77 LYS QE . . 4.100 3.113 2.431 3.621 . 0 0 "[ . 1 . 2]" 1
1011 1 77 LYS QB 1 78 MET H . . 3.690 2.865 2.718 2.966 . 0 0 "[ . 1 . 2]" 1
1012 1 77 LYS HB2 1 77 LYS HE2 . . 5.360 4.133 2.567 4.785 . 0 0 "[ . 1 . 2]" 1
1013 1 77 LYS HB2 1 77 LYS HE3 . . 5.360 4.042 3.387 4.753 . 0 0 "[ . 1 . 2]" 1
1014 1 77 LYS HB2 1 78 MET H . . 4.380 3.264 2.827 4.201 . 0 0 "[ . 1 . 2]" 1
1015 1 77 LYS HB3 1 77 LYS HE2 . . 5.360 4.135 3.301 4.890 . 0 0 "[ . 1 . 2]" 1
1016 1 77 LYS HB3 1 77 LYS HE3 . . 5.360 4.139 2.589 4.971 . 0 0 "[ . 1 . 2]" 1
1017 1 77 LYS HB3 1 78 MET H . . 4.380 3.456 2.950 3.913 . 0 0 "[ . 1 . 2]" 1
1018 1 77 LYS QD 1 78 MET H . . 5.340 4.914 4.579 5.139 . 0 0 "[ . 1 . 2]" 1
1019 1 77 LYS QG 1 78 MET H . . 5.250 4.222 3.580 4.531 . 0 0 "[ . 1 . 2]" 1
1020 1 78 MET H 1 78 MET QB . . 3.210 2.429 2.314 2.551 . 0 0 "[ . 1 . 2]" 1
1021 1 78 MET H 1 78 MET HG2 . . 3.650 2.683 2.325 3.495 . 0 0 "[ . 1 . 2]" 1
1022 1 78 MET H 1 78 MET HG3 . . 3.470 2.834 2.330 3.205 . 0 0 "[ . 1 . 2]" 1
1023 1 78 MET HA 1 78 MET ME . . 4.140 3.880 3.308 4.134 . 0 0 "[ . 1 . 2]" 1
1024 1 78 MET HA 1 78 MET HG2 . . 3.550 2.476 2.320 2.561 . 0 0 "[ . 1 . 2]" 1
1025 1 78 MET HA 1 78 MET HG3 . . 3.760 3.568 3.006 3.740 . 0 0 "[ . 1 . 2]" 1
1026 1 78 MET HA 1 79 ASN H . . 3.100 2.169 2.142 2.290 . 0 0 "[ . 1 . 2]" 1
1027 1 78 MET HA 1 82 ASP HB2 . . 4.380 2.662 2.086 3.364 . 0 0 "[ . 1 . 2]" 1
1028 1 78 MET HA 1 82 ASP QB . . 3.760 2.532 2.015 3.065 . 0 0 "[ . 1 . 2]" 1
1029 1 78 MET HA 1 82 ASP HB3 . . 4.380 3.224 2.664 3.589 . 0 0 "[ . 1 . 2]" 1
1030 1 78 MET QB 1 78 MET ME . . 2.930 2.045 1.933 2.119 . 0 0 "[ . 1 . 2]" 1
1031 1 78 MET QB 1 79 ASN H . . 3.760 3.170 2.672 3.482 . 0 0 "[ . 1 . 2]" 1
1032 1 78 MET QB 1 82 ASP QB . . 3.730 2.346 1.922 2.652 . 0 0 "[ . 1 . 2]" 1
1033 1 78 MET QB 1 83 PHE QD . . 4.290 3.108 2.802 3.420 . 0 0 "[ . 1 . 2]" 1
1034 1 78 MET HB2 1 78 MET ME . . 3.470 2.950 2.590 3.425 . 0 0 "[ . 1 . 2]" 1
1035 1 78 MET HB2 1 83 PHE QE . . 4.380 2.713 2.422 3.131 . 0 0 "[ . 1 . 2]" 1
1036 1 78 MET HB3 1 78 MET ME . . 3.470 2.093 1.960 2.214 . 0 0 "[ . 1 . 2]" 1
1037 1 78 MET HB3 1 83 PHE QE . . 4.380 3.497 3.092 3.974 . 0 0 "[ . 1 . 2]" 1
1038 1 78 MET ME 1 78 MET HG2 . . 3.500 3.142 2.392 3.399 . 0 0 "[ . 1 . 2]" 1
1039 1 78 MET ME 1 78 MET HG3 . . 3.550 2.692 2.389 3.391 . 0 0 "[ . 1 . 2]" 1
1040 1 78 MET ME 1 79 ASN H . . 4.650 4.526 4.333 4.649 . 0 0 "[ . 1 . 2]" 1
1041 1 78 MET ME 1 82 ASP HA . . 4.380 4.104 3.528 4.367 . 0 0 "[ . 1 . 2]" 1
1042 1 78 MET ME 1 82 ASP HB2 . . 3.410 3.046 2.586 3.291 . 0 0 "[ . 1 . 2]" 1
1043 1 78 MET ME 1 82 ASP QB . . 2.960 2.559 1.964 2.862 . 0 0 "[ . 1 . 2]" 1
1044 1 78 MET ME 1 82 ASP HB3 . . 3.410 2.806 2.013 3.378 . 0 0 "[ . 1 . 2]" 1
1045 1 78 MET ME 1 83 PHE H . . 3.760 3.416 2.951 3.759 . 0 0 "[ . 1 . 2]" 1
1046 1 78 MET ME 1 83 PHE HA . . 3.200 2.329 1.936 2.948 . 0 0 "[ . 1 . 2]" 1
1047 1 78 MET ME 1 83 PHE HB2 . . 4.650 3.977 3.707 4.157 . 0 0 "[ . 1 . 2]" 1
1048 1 78 MET ME 1 83 PHE QB . . 4.010 3.630 3.396 3.776 . 0 0 "[ . 1 . 2]" 1
1049 1 78 MET ME 1 83 PHE HB3 . . 4.650 4.197 3.942 4.498 . 0 0 "[ . 1 . 2]" 1
1050 1 78 MET ME 1 83 PHE QD . . 3.720 2.800 2.350 3.119 . 0 0 "[ . 1 . 2]" 1
1051 1 78 MET ME 1 83 PHE QE . . 3.650 2.972 2.683 3.441 . 0 0 "[ . 1 . 2]" 1
1052 1 78 MET ME 1 83 PHE HZ . . 4.910 3.692 2.903 4.582 . 0 0 "[ . 1 . 2]" 1
1053 1 78 MET ME 1 86 ALA MB . . 3.900 2.990 2.403 3.901 0.001 8 0 "[ . 1 . 2]" 1
1054 1 78 MET HG2 1 79 ASN H . . 4.650 4.508 4.234 4.642 . 0 0 "[ . 1 . 2]" 1
1055 1 78 MET HG2 1 82 ASP QB . . 4.290 3.412 2.440 3.984 . 0 0 "[ . 1 . 2]" 1
1056 1 78 MET HG3 1 79 ASN H . . 5.500 5.388 5.085 5.500 . 0 0 "[ . 1 . 2]" 1
1057 1 79 ASN H 1 79 ASN QB . . 3.590 2.522 2.196 2.729 . 0 0 "[ . 1 . 2]" 1
1058 1 79 ASN H 1 82 ASP H . . 3.980 3.114 2.782 3.742 . 0 0 "[ . 1 . 2]" 1
1059 1 79 ASN H 1 82 ASP HB2 . . 3.900 2.134 1.982 2.421 . 0 0 "[ . 1 . 2]" 1
1060 1 79 ASN H 1 82 ASP QB . . 3.300 2.116 1.971 2.371 . 0 0 "[ . 1 . 2]" 1
1061 1 79 ASN H 1 82 ASP HB3 . . 3.900 3.523 3.336 3.881 . 0 0 "[ . 1 . 2]" 1
1062 1 79 ASN HA 1 80 LYS H . . 3.470 2.665 2.580 2.711 . 0 0 "[ . 1 . 2]" 1
1063 1 79 ASN QB 1 79 ASN QD . . 3.070 2.244 2.066 2.519 . 0 0 "[ . 1 . 2]" 1
1064 1 79 ASN QB 1 80 LYS H . . 3.160 2.063 1.933 2.376 . 0 0 "[ . 1 . 2]" 1
1065 1 79 ASN QB 1 80 LYS HA . . 5.060 4.314 4.266 4.436 . 0 0 "[ . 1 . 2]" 1
1066 1 79 ASN QB 1 80 LYS HB3 . . 4.790 3.964 3.793 4.169 . 0 0 "[ . 1 . 2]" 1
1067 1 79 ASN HB2 1 80 LYS H . . 3.650 3.094 2.714 3.649 . 0 0 "[ . 1 . 2]" 1
1068 1 79 ASN HB2 1 81 GLU H . . 4.380 3.043 2.452 4.090 . 0 0 "[ . 1 . 2]" 1
1069 1 79 ASN HB3 1 80 LYS H . . 3.650 2.099 1.954 2.408 . 0 0 "[ . 1 . 2]" 1
1070 1 79 ASN HB3 1 81 GLU H . . 4.380 3.209 2.338 4.075 . 0 0 "[ . 1 . 2]" 1
1071 1 80 LYS H 1 80 LYS HB2 . . 3.350 2.335 2.174 2.500 . 0 0 "[ . 1 . 2]" 1
1072 1 80 LYS H 1 80 LYS HB3 . . 3.900 2.732 2.542 2.939 . 0 0 "[ . 1 . 2]" 1
1073 1 80 LYS H 1 81 GLU H . . 3.900 2.762 2.646 2.975 . 0 0 "[ . 1 . 2]" 1
1074 1 80 LYS H 1 96 LEU QD . . 4.870 3.129 2.401 4.118 . 0 0 "[ . 1 . 2]" 1
1075 1 80 LYS HA 1 80 LYS HD2 . . 4.730 3.408 2.806 4.166 . 0 0 "[ . 1 . 2]" 1
1076 1 80 LYS HA 1 80 LYS QD . . 4.090 2.921 2.096 3.878 . 0 0 "[ . 1 . 2]" 1
1077 1 80 LYS HA 1 80 LYS HD3 . . 4.730 3.356 2.114 4.619 . 0 0 "[ . 1 . 2]" 1
1078 1 80 LYS HA 1 80 LYS HE2 . . 5.500 4.900 3.673 5.227 . 0 0 "[ . 1 . 2]" 1
1079 1 80 LYS HA 1 80 LYS HE3 . . 5.500 4.756 2.000 5.404 . 0 0 "[ . 1 . 2]" 1
1080 1 80 LYS HA 1 80 LYS QG . . 3.410 2.431 2.113 2.878 . 0 0 "[ . 1 . 2]" 1
1081 1 80 LYS HA 1 83 PHE H . . 4.090 3.789 3.550 4.009 . 0 0 "[ . 1 . 2]" 1
1082 1 80 LYS HA 1 83 PHE HB2 . . 4.650 2.989 2.669 3.218 . 0 0 "[ . 1 . 2]" 1
1083 1 80 LYS HA 1 83 PHE QB . . 3.840 2.936 2.628 3.163 . 0 0 "[ . 1 . 2]" 1
1084 1 80 LYS HA 1 83 PHE HB3 . . 4.650 4.310 3.870 4.648 . 0 0 "[ . 1 . 2]" 1
1085 1 80 LYS HA 1 83 PHE QD . . 4.090 3.687 3.467 3.968 . 0 0 "[ . 1 . 2]" 1
1086 1 80 LYS HA 1 84 LEU MD1 . . 4.380 4.228 3.706 4.378 . 0 0 "[ . 1 . 2]" 1
1087 1 80 LYS HA 1 84 LEU HG . . 4.380 4.246 4.099 4.377 . 0 0 "[ . 1 . 2]" 1
1088 1 80 LYS HA 1 92 THR MG . . 3.290 2.249 1.983 2.815 . 0 0 "[ . 1 . 2]" 1
1089 1 80 LYS HA 1 96 LEU QB . . 4.500 4.444 4.268 4.498 . 0 0 "[ . 1 . 2]" 1
1090 1 80 LYS HA 1 96 LEU MD1 . . 4.860 3.589 2.197 4.775 . 0 0 "[ . 1 . 2]" 1
1091 1 80 LYS HA 1 96 LEU QD . . 3.400 2.878 2.193 3.393 . 0 0 "[ . 1 . 2]" 1
1092 1 80 LYS HA 1 96 LEU MD2 . . 4.860 4.051 3.225 4.859 . 0 0 "[ . 1 . 2]" 1
1093 1 80 LYS HB2 1 80 LYS HE2 . . 4.780 3.983 3.658 4.447 . 0 0 "[ . 1 . 2]" 1
1094 1 80 LYS HB2 1 80 LYS QE . . 4.070 3.478 2.403 3.869 . 0 0 "[ . 1 . 2]" 1
1095 1 80 LYS HB2 1 80 LYS HE3 . . 4.780 3.995 2.431 4.614 . 0 0 "[ . 1 . 2]" 1
1096 1 80 LYS HB2 1 81 GLU H . . 4.090 3.795 3.487 4.032 . 0 0 "[ . 1 . 2]" 1
1097 1 80 LYS HB2 1 92 THR MG . . 4.550 3.847 3.503 4.172 . 0 0 "[ . 1 . 2]" 1
1098 1 80 LYS HB2 1 96 LEU QD . . 3.630 3.133 2.711 3.625 . 0 0 "[ . 1 . 2]" 1
1099 1 80 LYS HB3 1 81 GLU H . . 3.470 2.694 2.045 2.930 . 0 0 "[ . 1 . 2]" 1
1100 1 80 LYS QD 1 84 LEU MD1 . . 5.060 4.069 3.162 4.767 . 0 0 "[ . 1 . 2]" 1
1101 1 80 LYS QD 1 89 LEU QD . . 3.770 2.561 1.829 3.309 . 0 0 "[ . 1 . 2]" 1
1102 1 80 LYS QD 1 92 THR MG . . 3.730 2.459 1.989 3.717 . 0 0 "[ . 1 . 2]" 1
1103 1 80 LYS QD 1 93 GLU HG2 . . 4.160 3.265 2.493 4.084 . 0 0 "[ . 1 . 2]" 1
1104 1 80 LYS QD 1 93 GLU HG3 . . 5.340 4.489 3.637 5.209 . 0 0 "[ . 1 . 2]" 1
1105 1 80 LYS HD2 1 93 GLU HG2 . . 4.910 3.483 2.578 4.907 . 0 0 "[ . 1 . 2]" 1
1106 1 80 LYS HD3 1 93 GLU HG2 . . 4.910 4.238 3.313 4.911 0.001 18 0 "[ . 1 . 2]" 1
1107 1 80 LYS QE 1 80 LYS QG . . 3.100 2.148 1.966 2.494 . 0 0 "[ . 1 . 2]" 1
1108 1 80 LYS QE 1 84 LEU MD1 . . 4.750 4.107 3.851 4.717 . 0 0 "[ . 1 . 2]" 1
1109 1 80 LYS QE 1 89 LEU QD . . 3.140 2.135 1.693 2.822 . 0 0 "[ . 1 . 2]" 1
1110 1 80 LYS QE 1 92 THR MG . . 4.060 3.438 1.791 3.987 . 0 0 "[ . 1 . 2]" 1
1111 1 80 LYS QE 1 93 GLU HA . . 5.340 4.108 3.112 5.165 . 0 0 "[ . 1 . 2]" 1
1112 1 80 LYS QE 1 93 GLU HG2 . . 4.220 2.565 1.981 3.879 . 0 0 "[ . 1 . 2]" 1
1113 1 80 LYS QE 1 96 LEU QD . . 4.400 3.864 2.031 4.386 . 0 0 "[ . 1 . 2]" 1
1114 1 80 LYS HE2 1 84 LEU MD1 . . 5.500 4.334 3.985 5.328 . 0 0 "[ . 1 . 2]" 1
1115 1 80 LYS HE2 1 89 LEU MD1 . . 5.500 2.690 1.987 3.893 . 0 0 "[ . 1 . 2]" 1
1116 1 80 LYS HE2 1 89 LEU MD2 . . 5.500 2.677 2.005 3.951 . 0 0 "[ . 1 . 2]" 1
1117 1 80 LYS HE2 1 92 THR HB . . 5.500 4.884 3.177 5.496 . 0 0 "[ . 1 . 2]" 1
1118 1 80 LYS HE2 1 92 THR MG . . 4.660 4.086 1.968 4.625 . 0 0 "[ . 1 . 2]" 1
1119 1 80 LYS HE2 1 93 GLU HG2 . . 4.820 3.765 2.040 4.818 . 0 0 "[ . 1 . 2]" 1
1120 1 80 LYS HE3 1 84 LEU MD1 . . 5.500 5.233 4.214 5.492 . 0 0 "[ . 1 . 2]" 1
1121 1 80 LYS HE3 1 89 LEU MD1 . . 5.500 2.899 1.908 4.661 . 0 0 "[ . 1 . 2]" 1
1122 1 80 LYS HE3 1 89 LEU MD2 . . 5.500 3.507 2.648 4.448 . 0 0 "[ . 1 . 2]" 1
1123 1 80 LYS HE3 1 92 THR HB . . 5.500 4.668 3.463 5.412 . 0 0 "[ . 1 . 2]" 1
1124 1 80 LYS HE3 1 92 THR MG . . 4.660 3.734 2.060 4.358 . 0 0 "[ . 1 . 2]" 1
1125 1 80 LYS HE3 1 93 GLU HG2 . . 4.820 2.854 2.025 4.480 . 0 0 "[ . 1 . 2]" 1
1126 1 80 LYS QG 1 81 GLU H . . 4.610 3.926 3.338 4.232 . 0 0 "[ . 1 . 2]" 1
1127 1 80 LYS QG 1 81 GLU HA . . 4.840 4.100 3.707 4.491 . 0 0 "[ . 1 . 2]" 1
1128 1 80 LYS QG 1 84 LEU HG . . 4.100 2.916 2.429 3.270 . 0 0 "[ . 1 . 2]" 1
1129 1 80 LYS QG 1 92 THR MG . . 3.530 2.531 1.933 3.376 . 0 0 "[ . 1 . 2]" 1
1130 1 80 LYS HG2 1 81 GLU H . . 5.360 4.546 3.695 4.923 . 0 0 "[ . 1 . 2]" 1
1131 1 80 LYS HG2 1 81 GLU HA . . 5.500 4.866 4.257 5.294 . 0 0 "[ . 1 . 2]" 1
1132 1 80 LYS HG3 1 81 GLU H . . 5.360 4.318 3.693 4.856 . 0 0 "[ . 1 . 2]" 1
1133 1 80 LYS HG3 1 81 GLU HA . . 5.500 4.485 3.801 5.440 . 0 0 "[ . 1 . 2]" 1
1134 1 81 GLU H 1 81 GLU HB2 . . 3.650 2.699 2.405 3.580 . 0 0 "[ . 1 . 2]" 1
1135 1 81 GLU H 1 81 GLU QB . . 3.100 2.514 2.371 2.635 . 0 0 "[ . 1 . 2]" 1
1136 1 81 GLU H 1 81 GLU HB3 . . 3.650 3.471 2.711 3.621 . 0 0 "[ . 1 . 2]" 1
1137 1 81 GLU H 1 81 GLU HG2 . . 3.900 2.853 2.112 3.705 . 0 0 "[ . 1 . 2]" 1
1138 1 81 GLU H 1 81 GLU HG3 . . 3.900 2.515 2.149 2.854 . 0 0 "[ . 1 . 2]" 1
1139 1 81 GLU H 1 82 ASP H . . 3.470 2.639 2.499 2.795 . 0 0 "[ . 1 . 2]" 1
1140 1 81 GLU HA 1 81 GLU HG2 . . 3.760 2.706 2.330 3.780 0.020 19 0 "[ . 1 . 2]" 1
1141 1 81 GLU HA 1 81 GLU HG3 . . 3.760 3.476 2.581 3.672 . 0 0 "[ . 1 . 2]" 1
1142 1 81 GLU HA 1 84 LEU H . . 3.900 3.315 3.066 3.569 . 0 0 "[ . 1 . 2]" 1
1143 1 81 GLU HA 1 84 LEU HB2 . . 4.140 2.278 1.997 2.507 . 0 0 "[ . 1 . 2]" 1
1144 1 81 GLU HA 1 84 LEU QB . . 3.360 2.260 1.988 2.481 . 0 0 "[ . 1 . 2]" 1
1145 1 81 GLU HA 1 84 LEU HB3 . . 4.140 3.774 3.587 3.969 . 0 0 "[ . 1 . 2]" 1
1146 1 81 GLU HA 1 84 LEU MD1 . . 3.410 2.148 1.908 2.439 . 0 0 "[ . 1 . 2]" 1
1147 1 81 GLU HA 1 84 LEU HG . . 4.090 3.827 3.551 3.964 . 0 0 "[ . 1 . 2]" 1
1148 1 81 GLU QB 1 82 ASP H . . 3.550 2.487 2.034 3.370 . 0 0 "[ . 1 . 2]" 1
1149 1 81 GLU HB2 1 82 ASP H . . 4.090 2.551 2.051 3.593 . 0 0 "[ . 1 . 2]" 1
1150 1 81 GLU HB3 1 82 ASP H . . 4.090 3.600 3.313 4.077 . 0 0 "[ . 1 . 2]" 1
1151 1 81 GLU QG 1 82 ASP H . . 4.010 3.570 1.935 4.009 . 0 0 "[ . 1 . 2]" 1
1152 1 81 GLU QG 1 84 LEU MD1 . . 4.010 3.300 2.949 3.988 . 0 0 "[ . 1 . 2]" 1
1153 1 81 GLU HG2 1 82 ASP H . . 4.650 4.431 3.278 4.649 . 0 0 "[ . 1 . 2]" 1
1154 1 81 GLU HG2 1 84 LEU MD1 . . 4.650 3.463 2.992 4.649 . 0 0 "[ . 1 . 2]" 1
1155 1 81 GLU HG3 1 82 ASP H . . 4.650 3.807 1.948 4.378 . 0 0 "[ . 1 . 2]" 1
1156 1 81 GLU HG3 1 84 LEU MD1 . . 4.650 4.526 3.512 4.663 0.013 18 0 "[ . 1 . 2]" 1
1157 1 82 ASP H 1 82 ASP HB2 . . 3.650 2.586 2.376 2.754 . 0 0 "[ . 1 . 2]" 1
1158 1 82 ASP H 1 82 ASP QB . . 3.180 2.527 2.343 2.668 . 0 0 "[ . 1 . 2]" 1
1159 1 82 ASP H 1 82 ASP HB3 . . 3.650 3.583 3.569 3.593 . 0 0 "[ . 1 . 2]" 1
1160 1 82 ASP HA 1 85 ARG H . . 4.380 3.823 3.669 4.183 . 0 0 "[ . 1 . 2]" 1
1161 1 82 ASP HA 1 85 ARG QB . . 4.020 3.690 3.155 4.021 0.001 18 0 "[ . 1 . 2]" 1
1162 1 82 ASP HA 1 85 ARG HD2 . . 4.650 3.314 2.063 4.628 . 0 0 "[ . 1 . 2]" 1
1163 1 82 ASP HA 1 85 ARG QD . . 4.010 3.124 2.004 4.012 0.002 18 0 "[ . 1 . 2]" 1
1164 1 82 ASP HA 1 85 ARG HD3 . . 4.650 4.311 2.717 4.650 . 0 0 "[ . 1 . 2]" 1
1165 1 82 ASP HA 1 85 ARG QG . . 3.900 3.201 2.429 3.901 0.001 8 0 "[ . 1 . 2]" 1
1166 1 82 ASP QB 1 83 PHE H . . 3.700 2.595 2.301 2.827 . 0 0 "[ . 1 . 2]" 1
1167 1 82 ASP QB 1 83 PHE QD . . 4.790 4.063 3.815 4.186 . 0 0 "[ . 1 . 2]" 1
1168 1 82 ASP QB 1 83 PHE QE . . 5.080 4.972 4.828 5.073 . 0 0 "[ . 1 . 2]" 1
1169 1 82 ASP HB2 1 83 PHE H . . 4.340 2.649 2.357 2.886 . 0 0 "[ . 1 . 2]" 1
1170 1 82 ASP HB3 1 83 PHE H . . 4.340 3.722 3.215 4.042 . 0 0 "[ . 1 . 2]" 1
1171 1 83 PHE H 1 83 PHE HB2 . . 3.650 2.182 2.135 2.221 . 0 0 "[ . 1 . 2]" 1
1172 1 83 PHE H 1 83 PHE QB . . 3.100 2.161 2.115 2.196 . 0 0 "[ . 1 . 2]" 1
1173 1 83 PHE H 1 83 PHE HB3 . . 3.650 3.477 3.443 3.511 . 0 0 "[ . 1 . 2]" 1
1174 1 83 PHE H 1 83 PHE QD . . 3.650 3.342 2.944 3.625 . 0 0 "[ . 1 . 2]" 1
1175 1 83 PHE H 1 84 LEU H . . 3.470 2.456 2.212 2.685 . 0 0 "[ . 1 . 2]" 1
1176 1 83 PHE H 1 92 THR MG . . 4.380 3.707 3.525 4.105 . 0 0 "[ . 1 . 2]" 1
1177 1 83 PHE HA 1 83 PHE QD . . 3.900 2.318 2.198 2.599 . 0 0 "[ . 1 . 2]" 1
1178 1 83 PHE HA 1 86 ALA H . . 4.400 3.242 3.185 3.316 . 0 0 "[ . 1 . 2]" 1
1179 1 83 PHE HA 1 86 ALA MB . . 3.900 2.842 2.679 3.085 . 0 0 "[ . 1 . 2]" 1
1180 1 83 PHE HA 1 87 THR MG . . 4.090 4.044 3.950 4.090 . 0 0 "[ . 1 . 2]" 1
1181 1 83 PHE QB 1 84 LEU MD2 . . 5.340 4.895 4.732 5.011 . 0 0 "[ . 1 . 2]" 1
1182 1 83 PHE QB 1 86 ALA MB . . 4.790 4.153 3.963 4.317 . 0 0 "[ . 1 . 2]" 1
1183 1 83 PHE QB 1 87 THR MG . . 4.090 3.087 2.979 3.231 . 0 0 "[ . 1 . 2]" 1
1184 1 83 PHE QB 1 92 THR HA . . 4.790 2.966 2.773 3.178 . 0 0 "[ . 1 . 2]" 1
1185 1 83 PHE QB 1 92 THR MG . . 3.060 1.916 1.836 2.319 . 0 0 "[ . 1 . 2]" 1
1186 1 83 PHE QB 1 95 LEU QD . . 4.820 3.424 3.091 3.749 . 0 0 "[ . 1 . 2]" 1
1187 1 83 PHE QB 1 96 LEU QD . . 4.750 3.675 3.010 4.180 . 0 0 "[ . 1 . 2]" 1
1188 1 83 PHE HB2 1 84 LEU H . . 3.900 3.041 2.931 3.159 . 0 0 "[ . 1 . 2]" 1
1189 1 83 PHE HB2 1 87 THR MG . . 4.910 4.598 4.448 4.738 . 0 0 "[ . 1 . 2]" 1
1190 1 83 PHE HB2 1 92 THR MG . . 3.530 2.141 1.974 2.568 . 0 0 "[ . 1 . 2]" 1
1191 1 83 PHE HB3 1 84 LEU H . . 3.900 3.484 3.388 3.632 . 0 0 "[ . 1 . 2]" 1
1192 1 83 PHE HB3 1 87 THR MG . . 4.910 3.137 3.022 3.288 . 0 0 "[ . 1 . 2]" 1
1193 1 83 PHE HB3 1 92 THR MG . . 3.530 2.170 2.049 2.643 . 0 0 "[ . 1 . 2]" 1
1194 1 83 PHE QD 1 84 LEU H . . 4.910 4.679 4.626 4.736 . 0 0 "[ . 1 . 2]" 1
1195 1 83 PHE QD 1 86 ALA MB . . 4.150 3.062 2.840 3.312 . 0 0 "[ . 1 . 2]" 1
1196 1 83 PHE QD 1 87 THR MG . . 4.090 3.382 3.102 3.601 . 0 0 "[ . 1 . 2]" 1
1197 1 83 PHE QD 1 92 THR HA . . 4.650 4.233 3.975 4.569 . 0 0 "[ . 1 . 2]" 1
1198 1 83 PHE QD 1 92 THR MG . . 4.090 3.061 2.873 3.357 . 0 0 "[ . 1 . 2]" 1
1199 1 83 PHE QD 1 95 LEU QB . . 5.340 3.912 3.664 4.256 . 0 0 "[ . 1 . 2]" 1
1200 1 83 PHE QD 1 95 LEU QD . . 3.880 2.838 2.412 3.399 . 0 0 "[ . 1 . 2]" 1
1201 1 83 PHE QD 1 96 LEU QB . . 4.390 3.767 3.221 4.316 . 0 0 "[ . 1 . 2]" 1
1202 1 83 PHE QD 1 96 LEU MD1 . . 4.090 2.802 2.030 3.486 . 0 0 "[ . 1 . 2]" 1
1203 1 83 PHE QD 1 96 LEU MD2 . . 4.090 3.960 3.753 4.084 . 0 0 "[ . 1 . 2]" 1
1204 1 83 PHE QE 1 95 LEU HB2 . . 5.370 4.277 3.788 4.690 . 0 0 "[ . 1 . 2]" 1
1205 1 83 PHE QE 1 95 LEU QB . . 4.640 3.599 3.273 4.047 . 0 0 "[ . 1 . 2]" 1
1206 1 83 PHE QE 1 95 LEU HB3 . . 5.370 3.876 3.496 4.422 . 0 0 "[ . 1 . 2]" 1
1207 1 83 PHE QE 1 95 LEU QD . . 3.850 3.002 2.592 3.567 . 0 0 "[ . 1 . 2]" 1
1208 1 83 PHE QE 1 96 LEU QB . . 5.340 4.258 3.775 4.693 . 0 0 "[ . 1 . 2]" 1
1209 1 83 PHE QE 1 96 LEU MD1 . . 4.920 3.228 2.313 4.625 . 0 0 "[ . 1 . 2]" 1
1210 1 83 PHE QE 1 96 LEU QD . . 3.470 2.974 2.307 3.449 . 0 0 "[ . 1 . 2]" 1
1211 1 83 PHE QE 1 96 LEU MD2 . . 4.920 4.218 3.415 4.916 . 0 0 "[ . 1 . 2]" 1
1212 1 83 PHE QE 1 99 LEU MD1 . . 4.910 4.447 3.010 4.847 . 0 0 "[ . 1 . 2]" 1
1213 1 83 PHE QE 1 99 LEU QD . . 4.090 3.097 2.546 3.374 . 0 0 "[ . 1 . 2]" 1
1214 1 83 PHE QE 1 99 LEU MD2 . . 4.910 3.300 2.575 4.546 . 0 0 "[ . 1 . 2]" 1
1215 1 83 PHE HZ 1 95 LEU QD . . 4.870 4.167 3.543 4.585 . 0 0 "[ . 1 . 2]" 1
1216 1 83 PHE HZ 1 99 LEU MD1 . . 4.380 3.915 2.413 4.356 . 0 0 "[ . 1 . 2]" 1
1217 1 83 PHE HZ 1 99 LEU QD . . 3.650 2.736 2.267 3.050 . 0 0 "[ . 1 . 2]" 1
1218 1 83 PHE HZ 1 99 LEU MD2 . . 4.380 2.956 2.281 4.102 . 0 0 "[ . 1 . 2]" 1
1219 1 84 LEU H 1 84 LEU HB2 . . 3.650 2.155 2.100 2.334 . 0 0 "[ . 1 . 2]" 1
1220 1 84 LEU H 1 84 LEU QB . . 3.100 2.135 2.082 2.305 . 0 0 "[ . 1 . 2]" 1
1221 1 84 LEU H 1 84 LEU HB3 . . 3.650 3.463 3.420 3.559 . 0 0 "[ . 1 . 2]" 1
1222 1 84 LEU H 1 84 LEU MD1 . . 3.690 3.561 3.142 3.689 . 0 0 "[ . 1 . 2]" 1
1223 1 84 LEU H 1 84 LEU MD2 . . 4.140 4.081 3.949 4.139 . 0 0 "[ . 1 . 2]" 1
1224 1 84 LEU H 1 84 LEU HG . . 3.250 3.036 2.611 3.196 . 0 0 "[ . 1 . 2]" 1
1225 1 84 LEU H 1 85 ARG H . . 3.650 2.651 2.603 2.708 . 0 0 "[ . 1 . 2]" 1
1226 1 84 LEU H 1 92 THR MG . . 4.070 3.330 3.125 3.742 . 0 0 "[ . 1 . 2]" 1
1227 1 84 LEU HA 1 84 LEU MD1 . . 4.090 3.804 3.784 3.845 . 0 0 "[ . 1 . 2]" 1
1228 1 84 LEU HA 1 84 LEU MD2 . . 2.980 2.399 2.266 2.610 . 0 0 "[ . 1 . 2]" 1
1229 1 84 LEU HA 1 84 LEU HG . . 4.090 2.575 2.529 2.626 . 0 0 "[ . 1 . 2]" 1
1230 1 84 LEU HA 1 86 ALA H . . 4.380 4.067 3.990 4.231 . 0 0 "[ . 1 . 2]" 1
1231 1 84 LEU HA 1 87 THR H . . 3.650 3.416 3.356 3.538 . 0 0 "[ . 1 . 2]" 1
1232 1 84 LEU QB 1 84 LEU MD2 . . 3.180 2.117 1.989 2.217 . 0 0 "[ . 1 . 2]" 1
1233 1 84 LEU QB 1 92 THR MG . . 4.890 4.230 4.002 4.500 . 0 0 "[ . 1 . 2]" 1
1234 1 84 LEU HB2 1 84 LEU MD1 . . 3.290 2.183 2.091 2.308 . 0 0 "[ . 1 . 2]" 1
1235 1 84 LEU HB3 1 84 LEU MD1 . . 3.290 2.519 2.415 2.620 . 0 0 "[ . 1 . 2]" 1
1236 1 84 LEU MD1 1 89 LEU HA . . 4.910 4.262 4.049 4.805 . 0 0 "[ . 1 . 2]" 1
1237 1 84 LEU MD1 1 92 THR MG . . 4.140 3.920 3.450 4.122 . 0 0 "[ . 1 . 2]" 1
1238 1 84 LEU MD2 1 87 THR MG . . 5.310 4.417 4.328 4.632 . 0 0 "[ . 1 . 2]" 1
1239 1 84 LEU MD2 1 89 LEU H . . 3.900 2.757 2.416 3.290 . 0 0 "[ . 1 . 2]" 1
1240 1 84 LEU MD2 1 89 LEU HA . . 3.130 2.305 2.150 2.594 . 0 0 "[ . 1 . 2]" 1
1241 1 84 LEU MD2 1 89 LEU QB . . 3.310 2.432 1.960 2.851 . 0 0 "[ . 1 . 2]" 1
1242 1 84 LEU MD2 1 89 LEU QD . . 3.090 1.909 1.708 2.204 . 0 0 "[ . 1 . 2]" 1
1243 1 84 LEU MD2 1 92 THR H . . 4.650 4.584 4.446 4.651 0.001 19 0 "[ . 1 . 2]" 1
1244 1 84 LEU HG 1 92 THR MG . . 3.760 3.032 2.629 3.300 . 0 0 "[ . 1 . 2]" 1
1245 1 85 ARG H 1 85 ARG QB . . 3.020 2.465 2.242 2.597 . 0 0 "[ . 1 . 2]" 1
1246 1 85 ARG H 1 85 ARG HD2 . . 4.910 4.103 3.205 4.697 . 0 0 "[ . 1 . 2]" 1
1247 1 85 ARG H 1 85 ARG QD . . 4.250 3.823 3.019 4.190 . 0 0 "[ . 1 . 2]" 1
1248 1 85 ARG H 1 85 ARG HD3 . . 4.910 4.683 3.686 4.859 . 0 0 "[ . 1 . 2]" 1
1249 1 85 ARG H 1 85 ARG HG2 . . 3.870 3.294 2.406 3.840 . 0 0 "[ . 1 . 2]" 1
1250 1 85 ARG H 1 85 ARG QG . . 3.160 2.305 2.109 2.681 . 0 0 "[ . 1 . 2]" 1
1251 1 85 ARG H 1 85 ARG HG3 . . 3.870 2.411 2.168 2.737 . 0 0 "[ . 1 . 2]" 1
1252 1 85 ARG H 1 86 ALA H . . 3.170 2.465 2.411 2.526 . 0 0 "[ . 1 . 2]" 1
1253 1 85 ARG H 1 86 ALA MB . . 4.380 4.143 4.070 4.214 . 0 0 "[ . 1 . 2]" 1
1254 1 85 ARG H 1 87 THR H . . 4.140 4.055 3.838 4.141 0.001 18 0 "[ . 1 . 2]" 1
1255 1 85 ARG HA 1 85 ARG HD2 . . 4.650 4.535 4.002 4.650 0.000 8 0 "[ . 1 . 2]" 1
1256 1 85 ARG HA 1 85 ARG HD3 . . 4.650 4.461 4.254 4.650 . 0 0 "[ . 1 . 2]" 1
1257 1 85 ARG HA 1 85 ARG HG2 . . 3.760 2.638 2.426 2.999 . 0 0 "[ . 1 . 2]" 1
1258 1 85 ARG HA 1 85 ARG QG . . 3.200 2.480 2.310 2.552 . 0 0 "[ . 1 . 2]" 1
1259 1 85 ARG HA 1 85 ARG HG3 . . 3.760 3.170 2.676 3.730 . 0 0 "[ . 1 . 2]" 1
1260 1 85 ARG QB 1 85 ARG QD . . 3.190 2.132 1.981 2.357 . 0 0 "[ . 1 . 2]" 1
1261 1 85 ARG QB 1 86 ALA H . . 3.890 2.853 2.660 2.916 . 0 0 "[ . 1 . 2]" 1
1262 1 86 ALA H 1 86 ALA MB . . 3.170 2.193 2.119 2.282 . 0 0 "[ . 1 . 2]" 1
1263 1 86 ALA H 1 87 THR H . . 2.980 2.345 2.284 2.484 . 0 0 "[ . 1 . 2]" 1
1264 1 86 ALA MB 1 87 THR H . . 3.470 2.634 2.517 2.914 . 0 0 "[ . 1 . 2]" 1
1265 1 86 ALA MB 1 87 THR HB . . 4.380 3.411 3.309 3.532 . 0 0 "[ . 1 . 2]" 1
1266 1 86 ALA MB 1 87 THR MG . . 3.470 3.161 2.982 3.345 . 0 0 "[ . 1 . 2]" 1
1267 1 87 THR H 1 87 THR HB . . 3.900 3.247 3.128 3.398 . 0 0 "[ . 1 . 2]" 1
1268 1 87 THR H 1 87 THR MG . . 3.350 2.309 2.197 2.514 . 0 0 "[ . 1 . 2]" 1
1269 1 87 THR HB 1 88 THR H . . 3.900 3.700 3.686 3.717 . 0 0 "[ . 1 . 2]" 1
1270 1 87 THR HG1 1 88 THR H . . 3.470 2.230 1.967 3.001 . 0 0 "[ . 1 . 2]" 1
1271 1 87 THR HG1 1 88 THR MG . . 4.380 3.628 3.277 4.204 . 0 0 "[ . 1 . 2]" 1
1272 1 87 THR HG1 1 91 ASN HD21 . . 4.380 2.066 1.955 2.543 . 0 0 "[ . 1 . 2]" 1
1273 1 87 THR HG1 1 91 ASN HD22 . . 4.380 3.548 3.220 3.769 . 0 0 "[ . 1 . 2]" 1
1274 1 87 THR MG 1 88 THR H . . 3.760 3.065 2.995 3.147 . 0 0 "[ . 1 . 2]" 1
1275 1 87 THR MG 1 89 LEU HA . . 4.650 4.442 4.358 4.521 . 0 0 "[ . 1 . 2]" 1
1276 1 87 THR MG 1 91 ASN H . . 3.900 3.586 3.472 3.674 . 0 0 "[ . 1 . 2]" 1
1277 1 87 THR MG 1 91 ASN HA . . 4.380 4.146 4.051 4.306 . 0 0 "[ . 1 . 2]" 1
1278 1 87 THR MG 1 91 ASN HB2 . . 3.550 2.254 2.014 2.604 . 0 0 "[ . 1 . 2]" 1
1279 1 87 THR MG 1 91 ASN HB3 . . 3.650 2.284 1.985 2.504 . 0 0 "[ . 1 . 2]" 1
1280 1 87 THR MG 1 91 ASN HD21 . . 4.090 3.483 3.293 3.782 . 0 0 "[ . 1 . 2]" 1
1281 1 87 THR MG 1 92 THR H . . 3.900 2.571 2.391 2.707 . 0 0 "[ . 1 . 2]" 1
1282 1 87 THR MG 1 92 THR HA . . 4.090 2.870 2.734 3.122 . 0 0 "[ . 1 . 2]" 1
1283 1 87 THR MG 1 92 THR HB . . 4.140 4.014 3.848 4.141 0.001 8 0 "[ . 1 . 2]" 1
1284 1 87 THR MG 1 92 THR HG1 . . 3.470 2.463 1.926 3.159 . 0 0 "[ . 1 . 2]" 1
1285 1 87 THR MG 1 92 THR MG . . 4.380 3.747 3.565 3.920 . 0 0 "[ . 1 . 2]" 1
1286 1 87 THR MG 1 95 LEU QD . . 3.230 2.005 1.891 2.205 . 0 0 "[ . 1 . 2]" 1
1287 1 87 THR MG 1 95 LEU HG . . 5.310 3.775 3.475 4.190 . 0 0 "[ . 1 . 2]" 1
1288 1 88 THR H 1 88 THR HG1 . . 4.380 3.258 2.063 3.771 . 0 0 "[ . 1 . 2]" 1
1289 1 88 THR H 1 88 THR MG . . 3.080 2.229 1.954 2.487 . 0 0 "[ . 1 . 2]" 1
1290 1 88 THR H 1 91 ASN H . . 4.140 4.102 4.029 4.140 . 0 0 "[ . 1 . 2]" 1
1291 1 88 THR H 1 91 ASN HB2 . . 3.900 3.025 2.921 3.167 . 0 0 "[ . 1 . 2]" 1
1292 1 88 THR H 1 91 ASN HB3 . . 4.650 4.437 4.273 4.649 . 0 0 "[ . 1 . 2]" 1
1293 1 88 THR H 1 91 ASN HD21 . . 3.900 3.162 2.458 3.536 . 0 0 "[ . 1 . 2]" 1
1294 1 88 THR H 1 91 ASN HD22 . . 4.920 4.584 4.040 4.921 0.001 19 0 "[ . 1 . 2]" 1
1295 1 88 THR HA 1 88 THR MG . . 3.350 2.356 2.185 2.474 . 0 0 "[ . 1 . 2]" 1
1296 1 88 THR HA 1 89 LEU H . . 3.350 2.492 2.356 2.621 . 0 0 "[ . 1 . 2]" 1
1297 1 88 THR HB 1 89 LEU H . . 3.650 2.248 2.045 2.548 . 0 0 "[ . 1 . 2]" 1
1298 1 88 THR HB 1 90 TYR H . . 3.900 3.031 2.698 3.259 . 0 0 "[ . 1 . 2]" 1
1299 1 88 THR HG1 1 89 LEU H . . 4.380 3.781 2.915 4.331 . 0 0 "[ . 1 . 2]" 1
1300 1 88 THR HG1 1 90 TYR H . . 3.900 3.004 2.058 3.872 . 0 0 "[ . 1 . 2]" 1
1301 1 88 THR HG1 1 91 ASN H . . 3.650 2.813 2.057 3.502 . 0 0 "[ . 1 . 2]" 1
1302 1 88 THR MG 1 89 LEU H . . 3.900 3.695 3.448 3.894 . 0 0 "[ . 1 . 2]" 1
1303 1 88 THR MG 1 90 TYR H . . 4.910 4.428 4.306 4.483 . 0 0 "[ . 1 . 2]" 1
1304 1 88 THR MG 1 90 TYR QB . . 5.220 4.268 4.146 4.368 . 0 0 "[ . 1 . 2]" 1
1305 1 88 THR MG 1 91 ASN H . . 4.870 4.513 4.340 4.656 . 0 0 "[ . 1 . 2]" 1
1306 1 88 THR MG 1 91 ASN HB2 . . 5.500 4.312 4.110 4.576 . 0 0 "[ . 1 . 2]" 1
1307 1 88 THR MG 1 91 ASN HD21 . . 4.380 4.006 3.017 4.375 . 0 0 "[ . 1 . 2]" 1
1308 1 88 THR MG 1 91 ASN HD22 . . 5.320 4.661 3.757 5.157 . 0 0 "[ . 1 . 2]" 1
1309 1 89 LEU H 1 89 LEU HB2 . . 3.650 2.231 2.168 2.427 . 0 0 "[ . 1 . 2]" 1
1310 1 89 LEU H 1 89 LEU HB3 . . 3.650 2.831 2.582 2.909 . 0 0 "[ . 1 . 2]" 1
1311 1 89 LEU H 1 89 LEU MD1 . . 4.910 4.224 4.015 4.266 . 0 0 "[ . 1 . 2]" 1
1312 1 89 LEU H 1 89 LEU QD . . 4.090 3.493 3.390 3.690 . 0 0 "[ . 1 . 2]" 1
1313 1 89 LEU H 1 89 LEU MD2 . . 4.910 3.741 3.562 4.254 . 0 0 "[ . 1 . 2]" 1
1314 1 89 LEU H 1 90 TYR H . . 3.650 2.660 2.577 2.787 . 0 0 "[ . 1 . 2]" 1
1315 1 89 LEU HA 1 89 LEU MD1 . . 3.900 2.552 2.449 2.753 . 0 0 "[ . 1 . 2]" 1
1316 1 89 LEU HA 1 89 LEU QD . . 3.040 1.985 1.894 2.699 . 0 0 "[ . 1 . 2]" 1
1317 1 89 LEU HA 1 89 LEU MD2 . . 3.900 2.168 1.955 3.899 . 0 0 "[ . 1 . 2]" 1
1318 1 89 LEU HA 1 89 LEU HG . . 3.900 3.596 2.696 3.698 . 0 0 "[ . 1 . 2]" 1
1319 1 89 LEU HA 1 91 ASN H . . 4.480 4.053 3.880 4.478 . 0 0 "[ . 1 . 2]" 1
1320 1 89 LEU HA 1 92 THR H . . 3.900 3.146 3.032 3.388 . 0 0 "[ . 1 . 2]" 1
1321 1 89 LEU HA 1 92 THR HB . . 3.550 2.317 2.209 2.532 . 0 0 "[ . 1 . 2]" 1
1322 1 89 LEU HA 1 92 THR HG1 . . 4.380 2.667 2.114 3.296 . 0 0 "[ . 1 . 2]" 1
1323 1 89 LEU HA 1 92 THR MG . . 4.380 3.739 3.650 3.928 . 0 0 "[ . 1 . 2]" 1
1324 1 89 LEU HA 1 93 GLU H . . 4.710 3.939 3.589 4.128 . 0 0 "[ . 1 . 2]" 1
1325 1 89 LEU HA 1 93 GLU HG2 . . 5.500 4.742 4.431 5.093 . 0 0 "[ . 1 . 2]" 1
1326 1 89 LEU HA 1 93 GLU HG3 . . 4.990 4.430 4.016 4.811 . 0 0 "[ . 1 . 2]" 1
1327 1 89 LEU QB 1 89 LEU QD . . 2.670 1.993 1.762 2.032 . 0 0 "[ . 1 . 2]" 1
1328 1 89 LEU QB 1 90 TYR H . . 3.340 2.541 2.487 2.612 . 0 0 "[ . 1 . 2]" 1
1329 1 89 LEU HB2 1 89 LEU MD1 . . 3.470 3.071 1.972 3.193 . 0 0 "[ . 1 . 2]" 1
1330 1 89 LEU HB2 1 89 LEU MD2 . . 3.470 2.365 2.297 2.733 . 0 0 "[ . 1 . 2]" 1
1331 1 89 LEU HB2 1 90 TYR H . . 3.870 3.596 3.529 3.856 . 0 0 "[ . 1 . 2]" 1
1332 1 89 LEU HB3 1 89 LEU MD1 . . 3.470 2.381 2.240 3.081 . 0 0 "[ . 1 . 2]" 1
1333 1 89 LEU HB3 1 89 LEU MD2 . . 3.470 3.082 2.074 3.196 . 0 0 "[ . 1 . 2]" 1
1334 1 89 LEU HB3 1 90 TYR H . . 3.870 2.599 2.540 2.683 . 0 0 "[ . 1 . 2]" 1
1335 1 89 LEU QD 1 92 THR HB . . 3.880 2.567 2.358 3.345 . 0 0 "[ . 1 . 2]" 1
1336 1 89 LEU QD 1 92 THR HG1 . . 4.350 3.551 2.852 4.263 . 0 0 "[ . 1 . 2]" 1
1337 1 89 LEU QD 1 93 GLU H . . 4.090 3.222 2.819 4.084 . 0 0 "[ . 1 . 2]" 1
1338 1 89 LEU QD 1 93 GLU HG2 . . 3.640 2.436 2.245 3.231 . 0 0 "[ . 1 . 2]" 1
1339 1 89 LEU QD 1 93 GLU HG3 . . 3.600 2.078 1.961 2.839 . 0 0 "[ . 1 . 2]" 1
1340 1 89 LEU MD1 1 90 TYR H . . 4.910 3.779 3.546 4.854 . 0 0 "[ . 1 . 2]" 1
1341 1 89 LEU MD1 1 93 GLU H . . 4.920 3.303 2.856 4.383 . 0 0 "[ . 1 . 2]" 1
1342 1 89 LEU MD1 1 93 GLU HG2 . . 4.350 2.470 2.261 3.441 . 0 0 "[ . 1 . 2]" 1
1343 1 89 LEU MD1 1 93 GLU HG3 . . 4.280 2.150 1.964 3.460 . 0 0 "[ . 1 . 2]" 1
1344 1 89 LEU MD2 1 90 TYR H . . 4.910 4.608 3.798 4.729 . 0 0 "[ . 1 . 2]" 1
1345 1 89 LEU MD2 1 93 GLU H . . 4.920 4.605 4.246 4.904 . 0 0 "[ . 1 . 2]" 1
1346 1 89 LEU MD2 1 93 GLU HG2 . . 4.350 4.012 3.471 4.317 . 0 0 "[ . 1 . 2]" 1
1347 1 89 LEU MD2 1 93 GLU HG3 . . 4.280 4.072 2.835 4.279 . 0 0 "[ . 1 . 2]" 1
1348 1 89 LEU HG 1 93 GLU HG3 . . 4.920 4.390 2.006 4.710 . 0 0 "[ . 1 . 2]" 1
1349 1 90 TYR H 1 90 TYR HB2 . . 3.350 2.571 2.509 2.634 . 0 0 "[ . 1 . 2]" 1
1350 1 90 TYR H 1 90 TYR HB3 . . 3.350 2.489 2.424 2.554 . 0 0 "[ . 1 . 2]" 1
1351 1 90 TYR H 1 90 TYR QD . . 4.350 4.194 4.177 4.200 . 0 0 "[ . 1 . 2]" 1
1352 1 90 TYR H 1 91 ASN H . . 3.650 2.749 2.683 2.872 . 0 0 "[ . 1 . 2]" 1
1353 1 90 TYR HA 1 90 TYR QD . . 3.550 2.983 2.837 3.066 . 0 0 "[ . 1 . 2]" 1
1354 1 90 TYR HA 1 93 GLU H . . 5.060 4.056 3.820 4.277 . 0 0 "[ . 1 . 2]" 1
1355 1 90 TYR HA 1 93 GLU HB2 . . 3.900 3.640 3.168 3.891 . 0 0 "[ . 1 . 2]" 1
1356 1 90 TYR HA 1 93 GLU HG2 . . 5.500 5.211 4.932 5.497 . 0 0 "[ . 1 . 2]" 1
1357 1 90 TYR HA 1 93 GLU HG3 . . 4.380 3.645 3.253 4.243 . 0 0 "[ . 1 . 2]" 1
1358 1 90 TYR QB 1 91 ASN H . . 3.410 2.740 2.455 2.849 . 0 0 "[ . 1 . 2]" 1
1359 1 90 TYR QB 1 94 VAL MG2 . . 5.060 4.714 4.557 4.843 . 0 0 "[ . 1 . 2]" 1
1360 1 90 TYR HB2 1 91 ASN H . . 4.090 4.024 3.866 4.088 . 0 0 "[ . 1 . 2]" 1
1361 1 90 TYR HB3 1 91 ASN H . . 4.090 2.789 2.482 2.907 . 0 0 "[ . 1 . 2]" 1
1362 1 90 TYR QD 1 91 ASN H . . 3.900 3.438 3.017 3.679 . 0 0 "[ . 1 . 2]" 1
1363 1 90 TYR QD 1 91 ASN HA . . 3.900 3.280 3.129 3.609 . 0 0 "[ . 1 . 2]" 1
1364 1 90 TYR QD 1 94 VAL MG2 . . 4.090 3.677 3.488 3.836 . 0 0 "[ . 1 . 2]" 1
1365 1 90 TYR QE 1 91 ASN HD22 . . 5.500 5.288 5.066 5.497 . 0 0 "[ . 1 . 2]" 1
1366 1 90 TYR QE 1 94 VAL MG1 . . 5.220 5.026 4.863 5.165 . 0 0 "[ . 1 . 2]" 1
1367 1 90 TYR QE 1 94 VAL MG2 . . 3.760 3.585 3.371 3.743 . 0 0 "[ . 1 . 2]" 1
1368 1 91 ASN H 1 91 ASN HB2 . . 3.470 2.259 2.206 2.312 . 0 0 "[ . 1 . 2]" 1
1369 1 91 ASN H 1 91 ASN HB3 . . 3.900 3.530 3.435 3.575 . 0 0 "[ . 1 . 2]" 1
1370 1 91 ASN H 1 92 THR H . . 3.470 2.344 2.240 2.602 . 0 0 "[ . 1 . 2]" 1
1371 1 91 ASN H 1 93 GLU H . . 5.040 4.018 3.889 4.106 . 0 0 "[ . 1 . 2]" 1
1372 1 91 ASN HA 1 93 GLU H . . 4.380 4.188 3.974 4.376 . 0 0 "[ . 1 . 2]" 1
1373 1 91 ASN HA 1 94 VAL H . . 3.900 3.247 3.146 3.388 . 0 0 "[ . 1 . 2]" 1
1374 1 91 ASN HA 1 94 VAL HB . . 3.760 2.787 2.543 2.992 . 0 0 "[ . 1 . 2]" 1
1375 1 91 ASN HA 1 94 VAL MG1 . . 4.380 4.130 3.921 4.356 . 0 0 "[ . 1 . 2]" 1
1376 1 91 ASN HA 1 94 VAL MG2 . . 3.900 2.459 2.180 2.747 . 0 0 "[ . 1 . 2]" 1
1377 1 91 ASN HB2 1 92 THR H . . 3.900 2.814 2.657 2.969 . 0 0 "[ . 1 . 2]" 1
1378 1 91 ASN HB2 1 95 LEU QD . . 5.300 3.956 3.643 4.278 . 0 0 "[ . 1 . 2]" 1
1379 1 91 ASN HB3 1 92 THR H . . 4.380 3.434 3.255 3.547 . 0 0 "[ . 1 . 2]" 1
1380 1 91 ASN HB3 1 94 VAL HB . . 5.500 4.273 4.045 4.552 . 0 0 "[ . 1 . 2]" 1
1381 1 91 ASN HB3 1 94 VAL MG2 . . 5.080 4.649 4.465 4.969 . 0 0 "[ . 1 . 2]" 1
1382 1 91 ASN HB3 1 95 LEU MD1 . . 5.500 2.884 2.455 3.262 . 0 0 "[ . 1 . 2]" 1
1383 1 91 ASN HB3 1 95 LEU QD . . 4.220 2.833 2.440 3.183 . 0 0 "[ . 1 . 2]" 1
1384 1 91 ASN HB3 1 95 LEU MD2 . . 5.500 4.242 3.982 4.543 . 0 0 "[ . 1 . 2]" 1
1385 1 92 THR H 1 92 THR HB . . 3.470 2.578 2.535 2.609 . 0 0 "[ . 1 . 2]" 1
1386 1 92 THR H 1 92 THR HG1 . . 3.350 2.306 1.970 2.770 . 0 0 "[ . 1 . 2]" 1
1387 1 92 THR H 1 92 THR MG . . 3.900 3.767 3.765 3.768 . 0 0 "[ . 1 . 2]" 1
1388 1 92 THR H 1 93 GLU H . . 3.650 2.775 2.700 2.870 . 0 0 "[ . 1 . 2]" 1
1389 1 92 THR HA 1 92 THR MG . . 3.410 2.325 2.288 2.393 . 0 0 "[ . 1 . 2]" 1
1390 1 92 THR HA 1 94 VAL H . . 4.330 4.105 4.028 4.195 . 0 0 "[ . 1 . 2]" 1
1391 1 92 THR HA 1 95 LEU H . . 4.910 3.407 3.257 3.500 . 0 0 "[ . 1 . 2]" 1
1392 1 92 THR HA 1 95 LEU QB . . 4.290 2.894 2.639 3.164 . 0 0 "[ . 1 . 2]" 1
1393 1 92 THR HA 1 95 LEU QD . . 4.070 2.525 2.025 3.035 . 0 0 "[ . 1 . 2]" 1
1394 1 92 THR HA 1 95 LEU HG . . 5.390 3.687 3.397 4.297 . 0 0 "[ . 1 . 2]" 1
1395 1 92 THR HA 1 96 LEU H . . 4.380 3.693 3.467 3.902 . 0 0 "[ . 1 . 2]" 1
1396 1 92 THR HB 1 93 GLU H . . 3.650 2.666 2.479 2.828 . 0 0 "[ . 1 . 2]" 1
1397 1 92 THR HB 1 93 GLU HG2 . . 4.910 3.718 3.530 4.200 . 0 0 "[ . 1 . 2]" 1
1398 1 92 THR HB 1 93 GLU HG3 . . 4.380 4.140 3.846 4.380 . 0 0 "[ . 1 . 2]" 1
1399 1 92 THR HG1 1 92 THR MG . . 3.410 2.926 2.725 3.044 . 0 0 "[ . 1 . 2]" 1
1400 1 92 THR HG1 1 93 GLU H . . 4.390 4.243 4.132 4.372 . 0 0 "[ . 1 . 2]" 1
1401 1 92 THR MG 1 93 GLU H . . 3.900 3.515 3.320 3.641 . 0 0 "[ . 1 . 2]" 1
1402 1 92 THR MG 1 93 GLU HA . . 4.380 3.549 3.357 3.672 . 0 0 "[ . 1 . 2]" 1
1403 1 92 THR MG 1 93 GLU HG2 . . 4.090 3.661 3.434 3.987 . 0 0 "[ . 1 . 2]" 1
1404 1 92 THR MG 1 93 GLU HG3 . . 4.910 4.713 4.526 4.855 . 0 0 "[ . 1 . 2]" 1
1405 1 92 THR MG 1 94 VAL H . . 4.920 4.853 4.731 4.918 . 0 0 "[ . 1 . 2]" 1
1406 1 92 THR MG 1 95 LEU QD . . 4.350 3.777 3.434 4.123 . 0 0 "[ . 1 . 2]" 1
1407 1 92 THR MG 1 96 LEU H . . 4.910 3.546 3.333 3.701 . 0 0 "[ . 1 . 2]" 1
1408 1 92 THR MG 1 96 LEU MD1 . . 4.630 3.336 2.374 4.212 . 0 0 "[ . 1 . 2]" 1
1409 1 92 THR MG 1 96 LEU QD . . 3.190 2.816 2.366 3.185 . 0 0 "[ . 1 . 2]" 1
1410 1 92 THR MG 1 96 LEU MD2 . . 4.630 3.822 2.832 4.630 . 0 0 "[ . 1 . 2]" 1
1411 1 93 GLU H 1 93 GLU HB2 . . 3.350 2.423 2.262 2.536 . 0 0 "[ . 1 . 2]" 1
1412 1 93 GLU H 1 93 GLU HB3 . . 3.650 3.585 3.538 3.600 . 0 0 "[ . 1 . 2]" 1
1413 1 93 GLU H 1 93 GLU HG2 . . 3.470 2.865 2.678 3.239 . 0 0 "[ . 1 . 2]" 1
1414 1 93 GLU H 1 93 GLU HG3 . . 3.470 2.833 2.486 3.161 . 0 0 "[ . 1 . 2]" 1
1415 1 93 GLU H 1 94 VAL H . . 3.650 2.536 2.455 2.626 . 0 0 "[ . 1 . 2]" 1
1416 1 93 GLU H 1 94 VAL MG2 . . 4.380 3.976 3.861 4.131 . 0 0 "[ . 1 . 2]" 1
1417 1 93 GLU HA 1 93 GLU HG2 . . 3.290 2.365 2.195 2.416 . 0 0 "[ . 1 . 2]" 1
1418 1 93 GLU HA 1 93 GLU HG3 . . 3.760 3.559 3.428 3.656 . 0 0 "[ . 1 . 2]" 1
1419 1 93 GLU HA 1 96 LEU H . . 4.910 3.904 3.708 4.161 . 0 0 "[ . 1 . 2]" 1
1420 1 93 GLU HA 1 96 LEU HB2 . . 4.380 3.791 3.071 4.374 . 0 0 "[ . 1 . 2]" 1
1421 1 93 GLU HA 1 96 LEU QB . . 3.650 3.098 2.796 3.412 . 0 0 "[ . 1 . 2]" 1
1422 1 93 GLU HA 1 96 LEU HB3 . . 4.380 3.489 2.832 4.277 . 0 0 "[ . 1 . 2]" 1
1423 1 93 GLU HA 1 96 LEU QD . . 4.060 3.875 3.640 4.048 . 0 0 "[ . 1 . 2]" 1
1424 1 93 GLU HB2 1 94 VAL H . . 3.650 2.942 2.876 2.998 . 0 0 "[ . 1 . 2]" 1
1425 1 93 GLU HB2 1 94 VAL HA . . 4.910 4.450 4.329 4.673 . 0 0 "[ . 1 . 2]" 1
1426 1 93 GLU HB2 1 94 VAL MG2 . . 4.090 3.227 3.088 3.455 . 0 0 "[ . 1 . 2]" 1
1427 1 93 GLU HB3 1 94 VAL H . . 4.100 3.847 3.669 3.942 . 0 0 "[ . 1 . 2]" 1
1428 1 93 GLU HG2 1 94 VAL H . . 4.910 4.727 4.661 4.876 . 0 0 "[ . 1 . 2]" 1
1429 1 93 GLU HG2 1 96 LEU QD . . 4.870 4.650 4.261 4.855 . 0 0 "[ . 1 . 2]" 1
1430 1 94 VAL H 1 94 VAL HB . . 3.170 2.516 2.499 2.552 . 0 0 "[ . 1 . 2]" 1
1431 1 94 VAL H 1 94 VAL MG1 . . 3.900 3.776 3.769 3.784 . 0 0 "[ . 1 . 2]" 1
1432 1 94 VAL H 1 94 VAL MG2 . . 3.130 2.329 2.130 2.479 . 0 0 "[ . 1 . 2]" 1
1433 1 94 VAL H 1 95 LEU H . . 3.650 2.418 2.350 2.491 . 0 0 "[ . 1 . 2]" 1
1434 1 94 VAL H 1 97 SER H . . 5.500 4.791 4.628 4.948 . 0 0 "[ . 1 . 2]" 1
1435 1 94 VAL HA 1 94 VAL MG1 . . 3.350 2.326 2.256 2.391 . 0 0 "[ . 1 . 2]" 1
1436 1 94 VAL HA 1 94 VAL MG2 . . 3.100 2.380 2.300 2.439 . 0 0 "[ . 1 . 2]" 1
1437 1 94 VAL HA 1 97 SER H . . 4.650 4.198 3.864 4.633 . 0 0 "[ . 1 . 2]" 1
1438 1 94 VAL HA 1 97 SER HB2 . . 4.600 4.124 3.660 4.588 . 0 0 "[ . 1 . 2]" 1
1439 1 94 VAL HA 1 97 SER HB3 . . 4.090 3.180 2.708 3.708 . 0 0 "[ . 1 . 2]" 1
1440 1 94 VAL HB 1 95 LEU H . . 3.450 2.895 2.570 2.992 . 0 0 "[ . 1 . 2]" 1
1441 1 94 VAL MG1 1 95 LEU H . . 4.090 3.689 3.418 3.787 . 0 0 "[ . 1 . 2]" 1
1442 1 94 VAL MG1 1 95 LEU HA . . 4.810 3.631 3.440 3.784 . 0 0 "[ . 1 . 2]" 1
1443 1 94 VAL MG2 1 95 LEU H . . 4.370 3.917 3.822 3.968 . 0 0 "[ . 1 . 2]" 1
1444 1 95 LEU H 1 95 LEU HB2 . . 3.900 2.482 2.400 2.559 . 0 0 "[ . 1 . 2]" 1
1445 1 95 LEU H 1 95 LEU QB . . 3.170 2.441 2.365 2.511 . 0 0 "[ . 1 . 2]" 1
1446 1 95 LEU H 1 95 LEU HB3 . . 3.900 3.619 3.576 3.647 . 0 0 "[ . 1 . 2]" 1
1447 1 95 LEU H 1 95 LEU MD1 . . 4.730 3.484 3.245 3.846 . 0 0 "[ . 1 . 2]" 1
1448 1 95 LEU H 1 95 LEU QD . . 3.730 3.159 3.040 3.264 . 0 0 "[ . 1 . 2]" 1
1449 1 95 LEU H 1 95 LEU MD2 . . 4.730 3.658 3.341 3.881 . 0 0 "[ . 1 . 2]" 1
1450 1 95 LEU H 1 95 LEU HG . . 3.600 2.428 2.184 2.598 . 0 0 "[ . 1 . 2]" 1
1451 1 95 LEU H 1 96 LEU H . . 3.650 2.587 2.467 2.867 . 0 0 "[ . 1 . 2]" 1
1452 1 95 LEU H 1 96 LEU QB . . 5.080 4.190 4.044 4.461 . 0 0 "[ . 1 . 2]" 1
1453 1 95 LEU HA 1 95 LEU MD1 . . 4.350 3.918 3.821 3.963 . 0 0 "[ . 1 . 2]" 1
1454 1 95 LEU HA 1 95 LEU QD . . 3.320 2.162 1.948 2.426 . 0 0 "[ . 1 . 2]" 1
1455 1 95 LEU HA 1 95 LEU MD2 . . 4.350 2.174 1.954 2.449 . 0 0 "[ . 1 . 2]" 1
1456 1 95 LEU HA 1 95 LEU HG . . 4.090 3.000 2.862 3.214 . 0 0 "[ . 1 . 2]" 1
1457 1 95 LEU HA 1 98 HIS H . . 4.380 3.675 3.485 3.945 . 0 0 "[ . 1 . 2]" 1
1458 1 95 LEU HA 1 98 HIS HB2 . . 4.910 3.479 3.234 3.858 . 0 0 "[ . 1 . 2]" 1
1459 1 95 LEU HA 1 98 HIS HB3 . . 4.910 3.217 2.737 3.769 . 0 0 "[ . 1 . 2]" 1
1460 1 95 LEU HA 1 99 LEU QD . . 4.070 3.883 3.382 4.051 . 0 0 "[ . 1 . 2]" 1
1461 1 95 LEU QB 1 95 LEU QD . . 2.820 1.896 1.835 1.947 . 0 0 "[ . 1 . 2]" 1
1462 1 95 LEU QB 1 96 LEU H . . 4.210 2.186 2.138 2.268 . 0 0 "[ . 1 . 2]" 1
1463 1 95 LEU QB 1 99 LEU QD . . 3.580 3.391 2.690 3.578 . 0 0 "[ . 1 . 2]" 1
1464 1 95 LEU QD 1 96 LEU H . . 4.160 3.775 3.646 3.928 . 0 0 "[ . 1 . 2]" 1
1465 1 95 LEU QD 1 96 LEU HA . . 5.060 5.022 4.976 5.049 . 0 0 "[ . 1 . 2]" 1
1466 1 95 LEU QD 1 99 LEU QD . . 5.360 3.710 3.428 3.893 . 0 0 "[ . 1 . 2]" 1
1467 1 95 LEU MD1 1 96 LEU H . . 4.910 4.012 3.814 4.312 . 0 0 "[ . 1 . 2]" 1
1468 1 95 LEU MD2 1 96 LEU H . . 4.910 4.613 4.523 4.686 . 0 0 "[ . 1 . 2]" 1
1469 1 95 LEU HG 1 96 LEU H . . 4.330 4.204 4.115 4.316 . 0 0 "[ . 1 . 2]" 1
1470 1 96 LEU H 1 96 LEU HB2 . . 3.500 2.220 2.044 2.548 . 0 0 "[ . 1 . 2]" 1
1471 1 96 LEU H 1 96 LEU QB . . 2.990 2.123 2.023 2.231 . 0 0 "[ . 1 . 2]" 1
1472 1 96 LEU H 1 96 LEU HB3 . . 3.500 2.941 2.465 3.352 . 0 0 "[ . 1 . 2]" 1
1473 1 96 LEU H 1 96 LEU MD1 . . 4.380 3.841 3.645 4.104 . 0 0 "[ . 1 . 2]" 1
1474 1 96 LEU H 1 96 LEU MD2 . . 4.380 4.247 4.110 4.359 . 0 0 "[ . 1 . 2]" 1
1475 1 96 LEU H 1 96 LEU HG . . 4.630 4.107 3.418 4.565 . 0 0 "[ . 1 . 2]" 1
1476 1 96 LEU H 1 97 SER H . . 3.470 2.869 2.761 3.013 . 0 0 "[ . 1 . 2]" 1
1477 1 96 LEU HA 1 96 LEU QD . . 3.030 2.262 1.976 2.651 . 0 0 "[ . 1 . 2]" 1
1478 1 96 LEU HA 1 96 LEU HG . . 3.900 2.759 2.291 3.343 . 0 0 "[ . 1 . 2]" 1
1479 1 96 LEU HA 1 99 LEU H . . 3.900 3.535 3.337 3.715 . 0 0 "[ . 1 . 2]" 1
1480 1 96 LEU HA 1 99 LEU HB2 . . 3.870 2.733 2.224 2.918 . 0 0 "[ . 1 . 2]" 1
1481 1 96 LEU HA 1 99 LEU QB . . 3.400 2.672 2.201 2.837 . 0 0 "[ . 1 . 2]" 1
1482 1 96 LEU HA 1 99 LEU HB3 . . 3.870 3.797 3.496 3.870 0.000 9 0 "[ . 1 . 2]" 1
1483 1 96 LEU HA 1 99 LEU MD1 . . 4.380 4.047 2.304 4.372 . 0 0 "[ . 1 . 2]" 1
1484 1 96 LEU HA 1 99 LEU MD2 . . 4.380 3.604 3.068 4.380 . 0 0 "[ . 1 . 2]" 1
1485 1 96 LEU QB 1 96 LEU QD . . 2.730 1.891 1.790 1.948 . 0 0 "[ . 1 . 2]" 1
1486 1 96 LEU QB 1 97 SER H . . 3.570 2.434 2.197 2.816 . 0 0 "[ . 1 . 2]" 1
1487 1 96 LEU HB2 1 97 SER H . . 4.140 3.400 2.872 4.072 . 0 0 "[ . 1 . 2]" 1
1488 1 96 LEU HB3 1 97 SER H . . 4.140 2.523 2.215 2.871 . 0 0 "[ . 1 . 2]" 1
1489 1 96 LEU QD 1 97 SER H . . 4.010 3.851 3.617 4.005 . 0 0 "[ . 1 . 2]" 1
1490 1 96 LEU QD 1 97 SER HB2 . . 5.060 4.969 4.718 5.060 0.000 10 0 "[ . 1 . 2]" 1
1491 1 96 LEU QD 1 99 LEU QB . . 3.810 3.344 2.730 3.781 . 0 0 "[ . 1 . 2]" 1
1492 1 96 LEU MD1 1 97 SER H . . 4.650 4.489 4.175 4.644 . 0 0 "[ . 1 . 2]" 1
1493 1 96 LEU MD2 1 97 SER H . . 4.650 4.200 3.963 4.648 . 0 0 "[ . 1 . 2]" 1
1494 1 97 SER H 1 97 SER HB2 . . 3.170 2.463 2.273 2.692 . 0 0 "[ . 1 . 2]" 1
1495 1 97 SER H 1 97 SER HB3 . . 3.350 2.622 2.420 2.841 . 0 0 "[ . 1 . 2]" 1
1496 1 97 SER H 1 98 HIS H . . 3.470 2.821 2.689 3.007 . 0 0 "[ . 1 . 2]" 1
1497 1 97 SER HB2 1 98 HIS H . . 3.900 3.792 3.553 3.894 . 0 0 "[ . 1 . 2]" 1
1498 1 97 SER HB3 1 98 HIS H . . 3.940 2.501 2.223 2.832 . 0 0 "[ . 1 . 2]" 1
1499 1 98 HIS H 1 98 HIS HB2 . . 3.650 2.318 2.180 2.500 . 0 0 "[ . 1 . 2]" 1
1500 1 98 HIS H 1 98 HIS HB3 . . 3.650 2.779 2.564 2.953 . 0 0 "[ . 1 . 2]" 1
1501 1 98 HIS H 1 99 LEU H . . 3.900 2.721 2.547 2.893 . 0 0 "[ . 1 . 2]" 1
1502 1 98 HIS HA 1 98 HIS HD2 . . 4.910 4.322 3.820 4.856 . 0 0 "[ . 1 . 2]" 1
1503 1 98 HIS HA 1 101 TYR H . . 3.900 3.250 3.088 3.373 . 0 0 "[ . 1 . 2]" 1
1504 1 98 HIS HA 1 101 TYR QB . . 3.760 2.495 2.150 2.640 . 0 0 "[ . 1 . 2]" 1
1505 1 98 HIS HB2 1 99 LEU H . . 3.900 3.653 3.508 3.893 . 0 0 "[ . 1 . 2]" 1
1506 1 98 HIS HB3 1 99 LEU H . . 3.900 2.519 2.229 3.006 . 0 0 "[ . 1 . 2]" 1
1507 1 98 HIS HE1 1 101 TYR QD . . 4.640 4.108 3.311 4.588 . 0 0 "[ . 1 . 2]" 1
1508 1 98 HIS HE1 1 102 LEU MD1 . . 4.380 3.550 2.498 4.378 . 0 0 "[ . 1 . 2]" 1
1509 1 98 HIS HE1 1 102 LEU QD . . 3.760 2.633 1.900 3.443 . 0 0 "[ . 1 . 2]" 1
1510 1 98 HIS HE1 1 102 LEU MD2 . . 4.380 2.765 1.948 3.604 . 0 0 "[ . 1 . 2]" 1
1511 1 99 LEU H 1 99 LEU HB2 . . 3.760 2.059 2.043 2.112 . 0 0 "[ . 1 . 2]" 1
1512 1 99 LEU H 1 99 LEU QB . . 3.200 2.040 2.024 2.093 . 0 0 "[ . 1 . 2]" 1
1513 1 99 LEU H 1 99 LEU HB3 . . 3.760 3.326 3.275 3.423 . 0 0 "[ . 1 . 2]" 1
1514 1 99 LEU H 1 99 LEU MD1 . . 4.380 2.741 2.465 3.366 . 0 0 "[ . 1 . 2]" 1
1515 1 99 LEU H 1 99 LEU MD2 . . 4.380 4.052 3.858 4.372 . 0 0 "[ . 1 . 2]" 1
1516 1 99 LEU H 1 99 LEU HG . . 4.390 4.220 3.455 4.383 . 0 0 "[ . 1 . 2]" 1
1517 1 99 LEU H 1 100 SER H . . 3.650 2.599 2.483 2.708 . 0 0 "[ . 1 . 2]" 1
1518 1 99 LEU HA 1 99 LEU MD1 . . 3.900 2.459 2.157 3.690 . 0 0 "[ . 1 . 2]" 1
1519 1 99 LEU HA 1 99 LEU QD . . 3.240 2.340 2.144 2.803 . 0 0 "[ . 1 . 2]" 1
1520 1 99 LEU HA 1 99 LEU MD2 . . 3.900 3.662 2.666 3.784 . 0 0 "[ . 1 . 2]" 1
1521 1 99 LEU HA 1 99 LEU HG . . 4.090 2.486 2.171 2.604 . 0 0 "[ . 1 . 2]" 1
1522 1 99 LEU HA 1 101 TYR H . . 4.910 4.267 4.200 4.521 . 0 0 "[ . 1 . 2]" 1
1523 1 99 LEU HA 1 102 LEU H . . 4.090 3.892 3.725 4.087 . 0 0 "[ . 1 . 2]" 1
1524 1 99 LEU HA 1 102 LEU QB . . 4.290 3.803 3.240 4.127 . 0 0 "[ . 1 . 2]" 1
1525 1 99 LEU HA 1 102 LEU QD . . 3.740 2.489 2.018 2.904 . 0 0 "[ . 1 . 2]" 1
1526 1 99 LEU HA 1 102 LEU HG . . 4.910 3.662 2.833 4.353 . 0 0 "[ . 1 . 2]" 1
1527 1 99 LEU QB 1 99 LEU QD . . 2.850 1.903 1.792 1.933 . 0 0 "[ . 1 . 2]" 1
1528 1 99 LEU HB2 1 100 SER H . . 3.900 3.298 3.157 3.376 . 0 0 "[ . 1 . 2]" 1
1529 1 99 LEU HB3 1 100 SER H . . 3.900 3.331 3.089 3.491 . 0 0 "[ . 1 . 2]" 1
1530 1 99 LEU QD 1 102 LEU QD . . 3.740 3.050 2.614 3.626 . 0 0 "[ . 1 . 2]" 1
1531 1 100 SER H 1 100 SER HB2 . . 4.010 2.846 2.243 3.638 . 0 0 "[ . 1 . 2]" 1
1532 1 100 SER H 1 100 SER QB . . 3.420 2.343 2.140 2.799 . 0 0 "[ . 1 . 2]" 1
1533 1 100 SER H 1 100 SER HB3 . . 4.010 2.701 2.172 3.643 . 0 0 "[ . 1 . 2]" 1
1534 1 100 SER H 1 101 TYR H . . 3.350 2.283 2.248 2.312 . 0 0 "[ . 1 . 2]" 1
1535 1 100 SER H 1 101 TYR HA . . 4.920 4.914 4.889 4.921 0.001 2 0 "[ . 1 . 2]" 1
1536 1 100 SER HA 1 103 ARG H . . 4.380 3.406 3.104 3.675 . 0 0 "[ . 1 . 2]" 1
1537 1 100 SER HA 1 103 ARG HB2 . . 4.800 3.275 2.320 4.799 . 0 0 "[ . 1 . 2]" 1
1538 1 100 SER HA 1 103 ARG QB . . 4.060 3.040 2.298 3.982 . 0 0 "[ . 1 . 2]" 1
1539 1 100 SER HA 1 103 ARG HB3 . . 4.800 4.269 3.700 4.777 . 0 0 "[ . 1 . 2]" 1
1540 1 100 SER HA 1 103 ARG HD2 . . 4.380 3.651 2.479 4.317 . 0 0 "[ . 1 . 2]" 1
1541 1 100 SER HA 1 103 ARG HD3 . . 4.380 3.543 2.435 4.365 . 0 0 "[ . 1 . 2]" 1
1542 1 100 SER HA 1 103 ARG QG . . 4.580 3.371 1.958 4.572 . 0 0 "[ . 1 . 2]" 1
1543 1 100 SER QB 1 101 TYR H . . 3.860 3.010 2.823 3.566 . 0 0 "[ . 1 . 2]" 1
1544 1 100 SER HB2 1 101 TYR H . . 4.500 3.871 2.874 4.299 . 0 0 "[ . 1 . 2]" 1
1545 1 100 SER HB3 1 101 TYR H . . 4.500 3.294 2.928 4.124 . 0 0 "[ . 1 . 2]" 1
1546 1 101 TYR H 1 101 TYR HB2 . . 3.610 2.649 2.571 2.748 . 0 0 "[ . 1 . 2]" 1
1547 1 101 TYR H 1 101 TYR QB . . 3.150 2.243 2.236 2.253 . 0 0 "[ . 1 . 2]" 1
1548 1 101 TYR H 1 101 TYR HB3 . . 3.610 2.425 2.380 2.486 . 0 0 "[ . 1 . 2]" 1
1549 1 101 TYR H 1 101 TYR QD . . 4.380 4.179 4.150 4.194 . 0 0 "[ . 1 . 2]" 1
1550 1 101 TYR H 1 102 LEU H . . 3.900 2.636 2.442 2.735 . 0 0 "[ . 1 . 2]" 1
1551 1 101 TYR HA 1 101 TYR QD . . 3.650 2.895 2.637 3.029 . 0 0 "[ . 1 . 2]" 1
1552 1 101 TYR HA 1 101 TYR QE . . 4.910 4.736 4.661 4.798 . 0 0 "[ . 1 . 2]" 1
1553 1 101 TYR HA 1 104 GLU H . . 4.380 3.572 3.320 3.797 . 0 0 "[ . 1 . 2]" 1
1554 1 101 TYR HA 1 104 GLU QB . . 3.700 2.910 2.410 3.416 . 0 0 "[ . 1 . 2]" 1
1555 1 101 TYR QB 1 102 LEU H . . 3.870 2.717 2.554 2.916 . 0 0 "[ . 1 . 2]" 1
1556 1 101 TYR QB 1 102 LEU HG . . 5.340 3.378 3.116 3.647 . 0 0 "[ . 1 . 2]" 1
1557 1 101 TYR QD 1 102 LEU H . . 4.090 3.435 3.194 3.632 . 0 0 "[ . 1 . 2]" 1
1558 1 101 TYR QD 1 102 LEU HA . . 4.380 3.263 2.952 3.676 . 0 0 "[ . 1 . 2]" 1
1559 1 101 TYR QD 1 102 LEU QB . . 5.340 4.488 4.277 4.612 . 0 0 "[ . 1 . 2]" 1
1560 1 101 TYR QD 1 102 LEU QD . . 3.600 2.697 2.132 3.120 . 0 0 "[ . 1 . 2]" 1
1561 1 101 TYR QD 1 102 LEU HG . . 4.090 3.234 2.511 3.836 . 0 0 "[ . 1 . 2]" 1
1562 1 101 TYR QE 1 102 LEU HA . . 4.650 4.435 4.174 4.600 . 0 0 "[ . 1 . 2]" 1
1563 1 101 TYR QE 1 102 LEU QD . . 3.970 3.696 3.352 3.948 . 0 0 "[ . 1 . 2]" 1
1564 1 102 LEU H 1 102 LEU QB . . 3.460 2.501 2.357 2.619 . 0 0 "[ . 1 . 2]" 1
1565 1 102 LEU H 1 102 LEU MD1 . . 4.050 3.340 2.735 3.618 . 0 0 "[ . 1 . 2]" 1
1566 1 102 LEU H 1 102 LEU QD . . 3.540 2.975 2.676 3.236 . 0 0 "[ . 1 . 2]" 1
1567 1 102 LEU H 1 102 LEU MD2 . . 4.050 3.452 2.812 3.800 . 0 0 "[ . 1 . 2]" 1
1568 1 102 LEU H 1 102 LEU HG . . 3.350 2.178 1.951 2.508 . 0 0 "[ . 1 . 2]" 1
1569 1 102 LEU HA 1 102 LEU MD1 . . 4.380 3.923 3.880 3.975 . 0 0 "[ . 1 . 2]" 1
1570 1 102 LEU HA 1 102 LEU QD . . 3.100 2.344 2.012 2.829 . 0 0 "[ . 1 . 2]" 1
1571 1 102 LEU HA 1 102 LEU MD2 . . 4.380 2.366 2.019 2.901 . 0 0 "[ . 1 . 2]" 1
1572 1 102 LEU HA 1 104 GLU H . . 4.380 4.104 3.909 4.380 0.000 19 0 "[ . 1 . 2]" 1
1573 1 102 LEU QB 1 102 LEU QD . . 2.770 1.865 1.742 1.933 . 0 0 "[ . 1 . 2]" 1
1574 1 102 LEU QB 1 103 ARG H . . 3.680 2.559 2.108 2.875 . 0 0 "[ . 1 . 2]" 1
1575 1 102 LEU QB 1 103 ARG HA . . 4.950 3.846 3.771 3.940 . 0 0 "[ . 1 . 2]" 1
1576 1 102 LEU HB2 1 103 ARG H . . 4.500 2.609 2.139 2.943 . 0 0 "[ . 1 . 2]" 1
1577 1 102 LEU HB3 1 103 ARG H . . 4.500 3.712 3.189 4.035 . 0 0 "[ . 1 . 2]" 1
1578 1 102 LEU QD 1 103 ARG H . . 4.350 3.969 3.753 4.197 . 0 0 "[ . 1 . 2]" 1
1579 1 102 LEU HG 1 103 ARG H . . 4.380 4.246 4.063 4.377 . 0 0 "[ . 1 . 2]" 1
1580 1 103 ARG H 1 103 ARG HB2 . . 3.900 2.528 2.062 3.592 . 0 0 "[ . 1 . 2]" 1
1581 1 103 ARG H 1 103 ARG QB . . 3.350 2.244 2.040 2.580 . 0 0 "[ . 1 . 2]" 1
1582 1 103 ARG H 1 103 ARG HB3 . . 3.900 3.202 2.531 3.617 . 0 0 "[ . 1 . 2]" 1
1583 1 103 ARG H 1 103 ARG HD2 . . 5.220 4.569 3.729 5.062 . 0 0 "[ . 1 . 2]" 1
1584 1 103 ARG H 1 103 ARG QD . . 4.500 3.952 3.358 4.373 . 0 0 "[ . 1 . 2]" 1
1585 1 103 ARG H 1 103 ARG HD3 . . 5.220 4.401 3.640 4.899 . 0 0 "[ . 1 . 2]" 1
1586 1 103 ARG H 1 103 ARG QG . . 3.730 2.834 1.941 3.540 . 0 0 "[ . 1 . 2]" 1
1587 1 103 ARG HA 1 103 ARG QD . . 4.550 4.008 3.719 4.428 . 0 0 "[ . 1 . 2]" 1
1588 1 103 ARG HA 1 103 ARG HG2 . . 4.090 2.905 2.183 4.073 . 0 0 "[ . 1 . 2]" 1
1589 1 103 ARG HA 1 103 ARG QG . . 3.480 2.519 2.122 3.355 . 0 0 "[ . 1 . 2]" 1
1590 1 103 ARG HA 1 103 ARG HG3 . . 4.090 2.879 2.264 3.843 . 0 0 "[ . 1 . 2]" 1
1591 1 103 ARG QB 1 103 ARG QD . . 3.300 2.125 1.992 2.352 . 0 0 "[ . 1 . 2]" 1
1592 1 103 ARG QB 1 103 ARG HE . . 4.290 3.421 2.043 4.178 . 0 0 "[ . 1 . 2]" 1
1593 1 103 ARG QB 1 104 GLU H . . 4.060 2.990 2.651 3.577 . 0 0 "[ . 1 . 2]" 1
1594 1 104 GLU H 1 104 GLU QB . . 3.160 2.154 2.042 2.440 . 0 0 "[ . 1 . 2]" 1
1595 1 104 GLU H 1 104 GLU QG . . 3.830 3.236 2.305 3.810 . 0 0 "[ . 1 . 2]" 1
1596 1 104 GLU H 1 105 SER H . . 3.650 2.565 2.192 2.748 . 0 0 "[ . 1 . 2]" 1
1597 1 104 GLU HA 1 104 GLU HG2 . . 4.010 2.457 2.027 3.333 . 0 0 "[ . 1 . 2]" 1
1598 1 104 GLU HA 1 104 GLU QG . . 3.390 2.179 2.006 2.394 . 0 0 "[ . 1 . 2]" 1
1599 1 104 GLU HA 1 104 GLU HG3 . . 4.010 2.788 2.036 3.560 . 0 0 "[ . 1 . 2]" 1
1600 1 104 GLU HA 1 107 LEU H . . 4.380 3.257 2.829 4.059 . 0 0 "[ . 1 . 2]" 1
1601 1 104 GLU HA 1 107 LEU HB2 . . 4.380 2.886 2.049 4.302 . 0 0 "[ . 1 . 2]" 1
1602 1 104 GLU HA 1 107 LEU MD1 . . 4.380 3.012 1.901 4.380 0.000 16 0 "[ . 1 . 2]" 1
1603 1 104 GLU HA 1 107 LEU QD . . 3.830 2.130 1.892 2.558 . 0 0 "[ . 1 . 2]" 1
1604 1 104 GLU HA 1 107 LEU MD2 . . 4.380 3.186 1.894 4.328 . 0 0 "[ . 1 . 2]" 1
1605 1 104 GLU QB 1 105 SER H . . 3.610 2.916 2.804 2.973 . 0 0 "[ . 1 . 2]" 1
1606 1 104 GLU QB 1 107 LEU QD . . 4.750 3.658 3.223 4.256 . 0 0 "[ . 1 . 2]" 1
1607 1 104 GLU HB2 1 105 SER H . . 4.200 3.298 2.889 3.747 . 0 0 "[ . 1 . 2]" 1
1608 1 104 GLU HB3 1 105 SER H . . 4.200 3.375 2.993 3.873 . 0 0 "[ . 1 . 2]" 1
1609 1 104 GLU QG 1 107 LEU QD . . 3.750 2.853 2.043 3.665 . 0 0 "[ . 1 . 2]" 1
1610 1 104 GLU HG2 1 107 LEU MD1 . . 6.140 3.742 2.099 6.113 . 0 0 "[ . 1 . 2]" 1
1611 1 104 GLU HG2 1 107 LEU MD2 . . 6.140 4.311 3.473 6.008 . 0 0 "[ . 1 . 2]" 1
1612 1 104 GLU HG3 1 107 LEU MD1 . . 6.140 4.261 2.062 5.827 . 0 0 "[ . 1 . 2]" 1
1613 1 104 GLU HG3 1 107 LEU MD2 . . 6.140 4.774 3.082 5.982 . 0 0 "[ . 1 . 2]" 1
1614 1 105 SER H 1 105 SER HB2 . . 3.650 2.707 2.174 3.579 . 0 0 "[ . 1 . 2]" 1
1615 1 105 SER H 1 105 SER HB3 . . 3.650 2.755 2.180 3.611 . 0 0 "[ . 1 . 2]" 1
1616 1 105 SER H 1 106 SER H . . 3.650 2.605 2.319 2.760 . 0 0 "[ . 1 . 2]" 1
1617 1 105 SER HA 1 108 LEU MD2 . . 4.380 2.442 2.006 3.287 . 0 0 "[ . 1 . 2]" 1
1618 1 105 SER QB 1 106 SER H . . 3.650 2.983 2.658 3.548 . 0 0 "[ . 1 . 2]" 1
1619 1 105 SER QB 1 108 LEU MD2 . . 4.010 3.489 2.780 3.978 . 0 0 "[ . 1 . 2]" 1
1620 1 105 SER HB2 1 106 SER H . . 4.380 3.767 2.712 4.291 . 0 0 "[ . 1 . 2]" 1
1621 1 105 SER HB2 1 108 LEU MD2 . . 4.650 4.019 3.411 4.642 . 0 0 "[ . 1 . 2]" 1
1622 1 105 SER HB3 1 106 SER H . . 4.380 3.302 2.760 4.193 . 0 0 "[ . 1 . 2]" 1
1623 1 105 SER HB3 1 108 LEU MD2 . . 4.650 4.034 2.818 4.620 . 0 0 "[ . 1 . 2]" 1
1624 1 106 SER H 1 106 SER HB2 . . 3.650 3.000 2.203 3.623 . 0 0 "[ . 1 . 2]" 1
1625 1 106 SER H 1 106 SER HB3 . . 3.650 2.974 2.169 3.649 . 0 0 "[ . 1 . 2]" 1
1626 1 106 SER H 1 107 LEU H . . 3.650 2.400 2.203 2.720 . 0 0 "[ . 1 . 2]" 1
1627 1 106 SER H 1 107 LEU HB2 . . 4.800 4.381 4.046 4.696 . 0 0 "[ . 1 . 2]" 1
1628 1 106 SER HA 1 108 LEU H . . 3.690 3.684 3.622 3.694 0.004 19 0 "[ . 1 . 2]" 1
1629 1 106 SER HA 1 109 ALA H . . 3.380 3.056 2.752 3.389 0.009 13 0 "[ . 1 . 2]" 1
1630 1 106 SER HA 1 109 ALA MB . . 3.760 2.558 1.948 3.166 . 0 0 "[ . 1 . 2]" 1
1631 1 106 SER QB 1 107 LEU H . . 4.030 3.096 2.762 3.596 . 0 0 "[ . 1 . 2]" 1
1632 1 106 SER QB 1 107 LEU QD . . 4.060 3.503 2.850 4.063 0.003 11 0 "[ . 1 . 2]" 1
1633 1 106 SER QB 1 109 ALA MB . . 4.090 3.567 3.045 4.064 . 0 0 "[ . 1 . 2]" 1
1634 1 106 SER HB2 1 107 LEU H . . 4.720 3.577 2.834 4.226 . 0 0 "[ . 1 . 2]" 1
1635 1 106 SER HB2 1 109 ALA MB . . 4.920 4.156 3.145 4.875 . 0 0 "[ . 1 . 2]" 1
1636 1 106 SER HB3 1 107 LEU H . . 4.720 3.736 2.894 4.309 . 0 0 "[ . 1 . 2]" 1
1637 1 106 SER HB3 1 109 ALA MB . . 4.920 4.109 3.204 4.897 . 0 0 "[ . 1 . 2]" 1
1638 1 107 LEU H 1 107 LEU HB2 . . 3.100 2.280 2.124 2.494 . 0 0 "[ . 1 . 2]" 1
1639 1 107 LEU H 1 107 LEU HB3 . . 3.650 3.524 3.447 3.585 . 0 0 "[ . 1 . 2]" 1
1640 1 107 LEU H 1 107 LEU MD1 . . 4.140 3.343 1.964 4.037 . 0 0 "[ . 1 . 2]" 1
1641 1 107 LEU H 1 107 LEU MD2 . . 4.140 3.013 1.892 4.140 0.000 19 0 "[ . 1 . 2]" 1
1642 1 107 LEU H 1 107 LEU HG . . 3.990 3.373 2.277 3.982 . 0 0 "[ . 1 . 2]" 1
1643 1 107 LEU H 1 108 LEU H . . 3.350 2.713 2.683 2.748 . 0 0 "[ . 1 . 2]" 1
1644 1 107 LEU H 1 108 LEU MD2 . . 4.820 4.580 4.114 4.763 . 0 0 "[ . 1 . 2]" 1
1645 1 107 LEU H 1 109 ALA H . . 4.330 4.142 3.957 4.279 . 0 0 "[ . 1 . 2]" 1
1646 1 107 LEU HA 1 107 LEU MD1 . . 3.770 2.853 1.982 3.810 0.040 11 0 "[ . 1 . 2]" 1
1647 1 107 LEU HA 1 107 LEU QD . . 2.850 2.197 1.920 2.806 . 0 0 "[ . 1 . 2]" 1
1648 1 107 LEU HA 1 107 LEU MD2 . . 3.770 2.654 2.008 3.742 . 0 0 "[ . 1 . 2]" 1
1649 1 107 LEU HA 1 107 LEU HG . . 4.130 3.125 2.291 3.699 . 0 0 "[ . 1 . 2]" 1
1650 1 107 LEU HA 1 110 TYR QB . . 4.800 3.785 2.794 4.807 0.007 12 0 "[ . 1 . 2]" 1
1651 1 107 LEU HA 1 110 TYR QD . . 4.090 2.342 1.999 3.399 . 0 0 "[ . 1 . 2]" 1
1652 1 107 LEU HA 1 110 TYR QE . . 4.380 3.072 1.997 4.344 . 0 0 "[ . 1 . 2]" 1
1653 1 107 LEU HB2 1 108 LEU H . . 3.250 3.057 2.940 3.192 . 0 0 "[ . 1 . 2]" 1
1654 1 107 LEU HB3 1 108 LEU H . . 4.090 3.665 3.487 3.893 . 0 0 "[ . 1 . 2]" 1
1655 1 107 LEU QD 1 108 LEU H . . 4.530 4.061 3.818 4.307 . 0 0 "[ . 1 . 2]" 1
1656 1 107 LEU QD 1 110 TYR QD . . 4.090 3.250 2.528 4.105 0.015 13 0 "[ . 1 . 2]" 1
1657 1 107 LEU QD 1 110 TYR QE . . 4.870 2.935 1.916 3.897 . 0 0 "[ . 1 . 2]" 1
1658 1 107 LEU MD1 1 110 TYR QD . . 4.920 4.147 3.192 4.919 . 0 0 "[ . 1 . 2]" 1
1659 1 107 LEU MD2 1 110 TYR QD . . 4.920 3.790 2.536 4.927 0.007 13 0 "[ . 1 . 2]" 1
1660 1 108 LEU H 1 108 LEU HB2 . . 3.690 3.611 3.556 3.690 . 0 0 "[ . 1 . 2]" 1
1661 1 108 LEU H 1 108 LEU HB3 . . 3.690 2.474 2.318 2.646 . 0 0 "[ . 1 . 2]" 1
1662 1 108 LEU H 1 108 LEU MD1 . . 4.760 3.925 3.817 4.004 . 0 0 "[ . 1 . 2]" 1
1663 1 108 LEU H 1 108 LEU MD2 . . 3.900 3.052 2.752 3.171 . 0 0 "[ . 1 . 2]" 1
1664 1 108 LEU H 1 108 LEU HG . . 3.040 2.512 2.309 2.680 . 0 0 "[ . 1 . 2]" 1
1665 1 108 LEU H 1 109 ALA H . . 3.650 2.367 2.101 2.585 . 0 0 "[ . 1 . 2]" 1
1666 1 108 LEU QB 1 108 LEU MD1 . . 2.910 2.016 1.937 2.097 . 0 0 "[ . 1 . 2]" 1
1667 1 108 LEU QB 1 108 LEU MD2 . . 2.870 2.018 1.936 2.078 . 0 0 "[ . 1 . 2]" 1
1668 1 108 LEU QB 1 109 ALA H . . 4.290 3.543 3.492 3.623 . 0 0 "[ . 1 . 2]" 1
1669 1 108 LEU HB2 1 108 LEU MD1 . . 3.380 2.043 1.961 2.134 . 0 0 "[ . 1 . 2]" 1
1670 1 108 LEU HB2 1 108 LEU MD2 . . 3.290 2.715 2.635 2.789 . 0 0 "[ . 1 . 2]" 1
1671 1 108 LEU HB3 1 108 LEU MD1 . . 3.380 3.093 3.008 3.120 . 0 0 "[ . 1 . 2]" 1
1672 1 108 LEU HB3 1 108 LEU MD2 . . 3.290 2.083 1.981 2.175 . 0 0 "[ . 1 . 2]" 1
1673 1 108 LEU MD1 1 109 ALA H . . 4.380 3.172 2.809 3.452 . 0 0 "[ . 1 . 2]" 1
1674 1 108 LEU MD1 1 109 ALA HA . . 3.380 2.703 2.333 2.990 . 0 0 "[ . 1 . 2]" 1
1675 1 108 LEU MD1 1 109 ALA MB . . 4.090 3.270 2.441 3.773 . 0 0 "[ . 1 . 2]" 1
1676 1 108 LEU MD2 1 109 ALA H . . 4.380 3.829 3.691 4.038 . 0 0 "[ . 1 . 2]" 1
1677 1 108 LEU HG 1 109 ALA H . . 3.920 2.199 2.064 2.444 . 0 0 "[ . 1 . 2]" 1
1678 1 109 ALA H 1 109 ALA MB . . 3.040 2.143 2.045 2.332 . 0 0 "[ . 1 . 2]" 1
1679 1 109 ALA H 1 110 TYR H . . 3.650 2.715 2.526 2.936 . 0 0 "[ . 1 . 2]" 1
1680 1 109 ALA MB 1 110 TYR H . . 3.650 2.790 2.092 3.644 . 0 0 "[ . 1 . 2]" 1
1681 1 109 ALA MB 1 110 TYR HA . . 4.380 3.824 3.661 4.198 . 0 0 "[ . 1 . 2]" 1
1682 1 109 ALA MB 1 110 TYR QD . . 4.380 3.995 3.621 4.318 . 0 0 "[ . 1 . 2]" 1
1683 1 109 ALA MB 1 110 TYR QE . . 5.500 4.644 3.937 5.438 . 0 0 "[ . 1 . 2]" 1
1684 1 110 TYR H 1 110 TYR HB2 . . 3.770 2.531 2.197 3.566 . 0 0 "[ . 1 . 2]" 1
1685 1 110 TYR H 1 110 TYR HB3 . . 3.770 3.448 2.321 3.747 . 0 0 "[ . 1 . 2]" 1
1686 1 110 TYR H 1 110 TYR QD . . 4.380 3.010 1.945 3.829 . 0 0 "[ . 1 . 2]" 1
1687 1 110 TYR H 1 111 ASN H . . 4.630 4.304 2.647 4.628 . 0 0 "[ . 1 . 2]" 1
1688 1 110 TYR HA 1 110 TYR QD . . 3.770 2.397 1.998 3.688 . 0 0 "[ . 1 . 2]" 1
1689 1 110 TYR HA 1 110 TYR QE . . 5.500 4.481 4.208 5.611 0.111 13 0 "[ . 1 . 2]" 1
1690 1 111 ASN H 1 111 ASN QB . . 3.590 2.691 2.129 3.361 . 0 0 "[ . 1 . 2]" 1
1691 1 112 THR H 1 112 THR HG1 . . 3.900 3.026 2.070 3.822 . 0 0 "[ . 1 . 2]" 1
1692 1 112 THR HA 1 112 THR MG . . 3.550 2.145 1.971 2.427 . 0 0 "[ . 1 . 2]" 1
1693 1 112 THR HB 1 113 THR H . . 4.040 3.089 2.011 4.046 0.006 10 0 "[ . 1 . 2]" 1
1694 1 112 THR MG 1 113 THR H . . 4.780 3.049 2.007 4.105 . 0 0 "[ . 1 . 2]" 1
1695 1 113 THR HA 1 113 THR MG . . 3.290 2.342 1.984 3.207 . 0 0 "[ . 1 . 2]" 1
1696 1 116 THR HA 1 116 THR MG . . 3.650 2.311 2.016 3.204 . 0 0 "[ . 1 . 2]" 1
1697 1 118 GLN HA 1 118 GLN QG . . 3.640 2.408 2.030 3.393 . 0 0 "[ . 1 . 2]" 1
1698 1 121 ARG H 1 121 ARG QG . . 5.120 3.444 2.031 4.266 . 0 0 "[ . 1 . 2]" 1
1699 1 121 ARG HA 1 122 LEU H . . 3.450 2.532 2.140 3.458 0.008 19 0 "[ . 1 . 2]" 1
1700 1 122 LEU H 1 122 LEU QB . . 3.310 2.659 2.062 3.255 . 0 0 "[ . 1 . 2]" 1
1701 1 122 LEU HA 1 122 LEU MD1 . . 4.380 3.146 2.122 4.105 . 0 0 "[ . 1 . 2]" 1
1702 1 122 LEU HA 1 122 LEU QD . . 3.340 2.688 1.920 3.323 . 0 0 "[ . 1 . 2]" 1
1703 1 122 LEU HA 1 122 LEU MD2 . . 4.380 3.257 2.027 3.845 . 0 0 "[ . 1 . 2]" 1
1704 1 122 LEU HA 1 123 SER H . . 3.470 2.316 2.139 2.854 . 0 0 "[ . 1 . 2]" 1
1705 1 123 SER H 1 123 SER QB . . 3.680 2.651 2.128 3.427 . 0 0 "[ . 1 . 2]" 1
1706 1 123 SER HA 1 124 VAL H . . 3.250 2.376 2.138 2.859 . 0 0 "[ . 1 . 2]" 1
1707 1 123 SER QB 1 124 VAL H . . 4.470 3.175 2.038 4.047 . 0 0 "[ . 1 . 2]" 1
1708 1 123 SER HB2 1 124 VAL H . . 5.130 3.880 2.283 4.619 . 0 0 "[ . 1 . 2]" 1
1709 1 123 SER HB3 1 124 VAL H . . 5.130 3.547 2.075 4.657 . 0 0 "[ . 1 . 2]" 1
1710 1 124 VAL H 1 124 VAL HB . . 3.900 3.180 2.505 3.805 . 0 0 "[ . 1 . 2]" 1
1711 1 124 VAL H 1 124 VAL MG1 . . 4.380 2.825 1.987 4.001 . 0 0 "[ . 1 . 2]" 1
1712 1 124 VAL H 1 124 VAL MG2 . . 4.380 2.902 1.935 3.971 . 0 0 "[ . 1 . 2]" 1
1713 1 124 VAL HA 1 125 LYS H . . 3.250 2.302 2.157 2.588 . 0 0 "[ . 1 . 2]" 1
1714 1 124 VAL HB 1 125 LYS H . . 4.910 3.602 2.008 4.450 . 0 0 "[ . 1 . 2]" 1
1715 1 124 VAL QG 1 125 LYS H . . 4.410 2.714 1.939 3.490 . 0 0 "[ . 1 . 2]" 1
1716 1 124 VAL MG1 1 125 LYS H . . 5.080 3.467 2.100 3.945 . 0 0 "[ . 1 . 2]" 1
1717 1 124 VAL MG2 1 125 LYS H . . 5.080 3.231 1.945 4.343 . 0 0 "[ . 1 . 2]" 1
1718 1 125 LYS H 1 125 LYS QB . . 3.590 2.617 2.039 3.214 . 0 0 "[ . 1 . 2]" 1
1719 1 125 LYS HA 1 125 LYS HD2 . . 5.360 4.167 2.088 5.360 . 0 0 "[ . 1 . 2]" 1
1720 1 125 LYS HA 1 125 LYS HD3 . . 5.360 3.999 2.472 4.789 . 0 0 "[ . 1 . 2]" 1
1721 1 125 LYS HA 1 125 LYS QE . . 4.290 3.582 2.136 4.290 . 0 0 "[ . 1 . 2]" 1
1722 1 125 LYS HA 1 126 GLU H . . 3.470 2.365 2.143 2.959 . 0 0 "[ . 1 . 2]" 1
1723 1 125 LYS QB 1 125 LYS QE . . 3.560 2.897 1.957 3.555 . 0 0 "[ . 1 . 2]" 1
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