NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
377841 |
1gh8   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gh8
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 1695
_Distance_constraint_stats_list.Viol_count 4552
_Distance_constraint_stats_list.Viol_total 22179.371
_Distance_constraint_stats_list.Viol_max 8.503
_Distance_constraint_stats_list.Viol_rms 0.2277
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.1624
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 6.304 0.621 5 1 "[ + 1 . 2 . 3]"
1 2 GLY 2.099 0.498 5 0 "[ . 1 . 2 . 3]"
1 3 ASP 0.004 0.004 20 0 "[ . 1 . 2 . 3]"
1 4 VAL 4.395 0.932 21 3 "[ . - *. 2+ . 3]"
1 5 VAL 8.771 0.993 9 3 "[ . +1 - 2 . * 3]"
1 6 ALA 4.876 0.598 17 4 "[ . 1- . + 2 .** 3]"
1 7 THR 13.423 0.370 25 0 "[ . 1 . 2 . 3]"
1 8 ILE 14.249 0.648 28 4 "[ *. *1 . 2 .- + 3]"
1 9 LYS 14.273 0.225 27 0 "[ . 1 . 2 . 3]"
1 10 VAL 12.337 0.149 21 0 "[ . 1 . 2 . 3]"
1 11 MET 6.313 0.118 1 0 "[ . 1 . 2 . 3]"
1 12 PRO 4.004 0.113 2 0 "[ . 1 . 2 . 3]"
1 13 GLU 1.704 0.070 4 0 "[ . 1 . 2 . 3]"
1 14 SER 9.707 0.960 4 7 "[ * +. ** 1 ** 2 .- 3]"
1 15 PRO 4.220 0.381 15 0 "[ . 1 . 2 . 3]"
1 16 ASP 10.575 0.960 4 10 "[ * +. ** 1 *** 2 .* * -]"
1 17 VAL 15.598 0.506 29 1 "[ . 1 . 2 . +3]"
1 18 ASP 2.776 0.112 18 0 "[ . 1 . 2 . 3]"
1 19 LEU 5.630 0.592 13 2 "[ . 1 + . 2 .- 3]"
1 20 GLU 12.016 0.893 16 11 "[ *. *1 **.+ * 2* ** * -]"
1 21 ALA 17.543 0.797 5 9 "[* * +** 1 **. *2 . -3]"
1 22 LEU 8.033 0.472 30 0 "[ . 1 . 2 . 3]"
1 23 LYS 10.441 0.875 10 5 "[ . + - . * * .* 3]"
1 24 LYS 21.892 0.893 16 16 "[* * *** * ***.+* ** .* -*]"
1 25 GLU 5.052 0.935 30 1 "[ . 1 . 2 . +]"
1 26 ILE 5.400 0.630 20 1 "[ . 1 . + . 3]"
1 27 GLN 7.930 0.696 18 4 "[ -. 1* . + * . 3]"
1 28 GLU 2.820 0.345 28 0 "[ . 1 . 2 . 3]"
1 29 ARG 399.359 8.503 15 30 [-*************+***************]
1 30 ILE 15.028 0.696 18 3 "[ -. 1* . + 2 . 3]"
1 31 PRO 9.828 0.622 26 5 "[ . 1-* . * 2 .+* 3]"
1 32 GLU 5.801 0.719 9 4 "[ -. +1 . * 2 . * 3]"
1 33 GLY 1.196 0.317 16 0 "[ . 1 . 2 . 3]"
1 34 THR 1.002 0.064 19 0 "[ . 1 . 2 . 3]"
1 35 GLU 1.668 0.109 20 0 "[ . 1 . 2 . 3]"
1 36 LEU 4.079 0.261 25 0 "[ . 1 . 2 . 3]"
1 37 HIS 6.751 0.114 9 0 "[ . 1 . 2 . 3]"
1 38 LYS 13.745 0.468 14 0 "[ . 1 . 2 . 3]"
1 39 ILE 6.173 0.336 10 0 "[ . 1 . 2 . 3]"
1 40 ASP 4.284 0.305 27 0 "[ . 1 . 2 . 3]"
1 41 GLU 1.831 0.097 14 0 "[ . 1 . 2 . 3]"
1 42 GLU 2.810 0.082 28 0 "[ . 1 . 2 . 3]"
1 43 PRO 7.366 0.107 13 0 "[ . 1 . 2 . 3]"
1 44 ILE 3.509 0.083 24 0 "[ . 1 . 2 . 3]"
1 45 ALA 0.370 0.036 23 0 "[ . 1 . 2 . 3]"
1 46 PHE 0.690 0.169 11 0 "[ . 1 . 2 . 3]"
1 47 GLY 1.771 0.095 14 0 "[ . 1 . 2 . 3]"
1 48 LEU 22.773 0.519 2 21 "[ +*** *- * ** *** ******** *3]"
1 49 VAL 18.037 0.519 2 20 "[ +*** *- * ** *** ******** 3]"
1 50 ALA 3.694 0.118 1 0 "[ . 1 . 2 . 3]"
1 51 LEU 2.118 0.103 9 0 "[ . 1 . 2 . 3]"
1 52 ASN 8.878 0.305 27 0 "[ . 1 . 2 . 3]"
1 53 VAL 384.043 8.503 15 30 [*-************+***************]
1 54 MET 4.441 0.085 28 0 "[ . 1 . 2 . 3]"
1 55 VAL 4.409 0.085 28 0 "[ . 1 . 2 . 3]"
1 56 VAL 1.686 0.115 12 0 "[ . 1 . 2 . 3]"
1 57 VAL 1.144 0.072 29 0 "[ . 1 . 2 . 3]"
1 58 GLY 0.728 0.064 19 0 "[ . 1 . 2 . 3]"
1 59 ASP 14.463 0.826 11 12 "[ ** . *1+ * . * 2*** - * *]"
1 60 ALA 2.352 0.092 9 0 "[ . 1 . 2 . 3]"
1 61 GLU 3.180 0.078 22 0 "[ . 1 . 2 . 3]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 63 GLY 2.548 0.070 3 0 "[ . 1 . 2 . 3]"
1 64 THR 7.119 0.622 26 4 "[ . 1-* . * 2 .+ 3]"
1 65 GLU 5.120 0.409 25 0 "[ . 1 . 2 . 3]"
1 66 ALA 7.581 0.409 25 0 "[ . 1 . 2 . 3]"
1 67 ALA 2.433 0.067 8 0 "[ . 1 . 2 . 3]"
1 68 GLU 2.490 0.959 23 1 "[ . 1 . 2 + . 3]"
1 69 GLU 1.323 0.246 23 0 "[ . 1 . 2 . 3]"
1 70 SER 0.068 0.051 23 0 "[ . 1 . 2 . 3]"
1 71 LEU 2.632 0.160 25 0 "[ . 1 . 2 . 3]"
1 72 SER 0.068 0.051 23 0 "[ . 1 . 2 . 3]"
1 73 GLY 1.497 0.083 8 0 "[ . 1 . 2 . 3]"
1 74 ILE 12.942 0.533 12 2 "[- . 1 + . 2 . 3]"
1 75 GLU 8.282 0.344 20 0 "[ . 1 . 2 . 3]"
1 76 GLY 0.178 0.024 10 0 "[ . 1 . 2 . 3]"
1 77 VAL 4.069 0.138 19 0 "[ . 1 . 2 . 3]"
1 78 SER 9.938 0.344 20 0 "[ . 1 . 2 . 3]"
1 79 ASN 14.852 0.252 29 0 "[ . 1 . 2 . 3]"
1 80 ILE 3.527 0.089 29 0 "[ . 1 . 2 . 3]"
1 81 GLU 2.249 0.225 27 0 "[ . 1 . 2 . 3]"
1 82 VAL 15.733 0.252 29 0 "[ . 1 . 2 . 3]"
1 83 THR 2.481 0.086 11 0 "[ . 1 . 2 . 3]"
1 84 ASP 22.320 0.648 28 4 "[ *. *1 . 2 .- + 3]"
1 85 VAL 3.712 0.227 14 0 "[ . 1 . 2 . 3]"
1 86 ARG 13.341 0.993 9 3 "[ . +1 - 2 . * 3]"
1 87 ARG 18.551 0.932 21 8 "[ .* ** **. * 2+ . -3]"
1 88 LEU 9.481 0.621 5 1 "[ + 1 . 2 . 3]"
1 89 MET 13.727 0.676 28 8 "[ . * 1 * . * - * .**+ 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET HB2 2.600 . 3.400 2.700 2.417 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 MET HA 1 1 MET ME 2.300 . 5.500 4.126 2.879 5.222 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 MET HA 1 1 MET QG 3.200 . 4.500 2.542 1.999 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 1 MET HA 1 2 GLY H 2.700 . 3.600 2.592 2.103 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 1 MET HA 1 88 LEU HB3 2.600 . 5.500 3.987 2.703 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 1 MET HA 1 88 LEU QD 3.000 . 4.100 3.937 3.206 4.145 0.045 16 0 "[ . 1 . 2 . 3]" 1
7 1 1 MET QB 1 2 GLY H 2.900 . 3.900 3.183 1.868 3.967 0.067 3 0 "[ . 1 . 2 . 3]" 1
8 1 1 MET HB2 1 1 MET QG 2.000 . 5.500 2.366 2.127 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 1 MET ME 1 88 LEU QD 2.900 . 5.500 3.945 2.195 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 1 MET QG 1 2 GLY HA2 3.400 . 4.800 4.600 3.553 5.298 0.498 5 0 "[ . 1 . 2 . 3]" 1
11 1 1 MET QG 1 88 LEU QD 3.100 . 4.300 3.635 1.716 4.921 0.621 5 1 "[ + 1 . 2 . 3]" 1
12 1 2 GLY H 1 2 GLY HA2 2.300 . 3.000 2.806 2.769 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 GLY H 1 2 GLY HA3 2.300 . 3.000 2.811 2.707 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 GLY H 1 3 ASP H 2.300 . 5.500 1.515 1.440 1.697 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 GLY H 1 88 LEU HB2 2.800 . 3.800 3.155 1.940 3.819 0.019 12 0 "[ . 1 . 2 . 3]" 1
16 1 2 GLY H 1 88 LEU QD 2.800 . 3.700 3.627 3.057 3.736 0.036 27 0 "[ . 1 . 2 . 3]" 1
17 1 2 GLY HA2 1 3 ASP H 2.700 . 3.600 3.277 3.099 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 GLY HA3 1 3 ASP H 2.700 . 3.600 3.229 3.054 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 2 GLY HA3 1 3 ASP HA 4.000 . 5.500 4.447 4.414 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 ASP H 1 3 ASP HA 2.400 . 3.100 2.922 2.913 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 ASP H 1 3 ASP QB 2.200 . 2.800 2.491 2.192 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 ASP H 1 4 VAL H 4.000 . 5.000 4.551 4.473 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 ASP H 1 88 LEU QD 3.000 . 4.100 3.403 2.774 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 ASP HA 1 3 ASP QB 2.400 . 3.100 2.338 2.180 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 ASP HA 1 4 VAL H 2.600 . 3.000 2.323 2.156 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 ASP HA 1 4 VAL QG 2.700 . 5.500 3.382 3.006 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 ASP HA 1 58 GLY HA2 4.000 . 5.000 4.038 2.910 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 ASP HA 1 58 GLY HA3 4.000 . 5.000 3.633 2.985 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 ASP HA 1 88 LEU QD 3.000 . 5.500 4.829 4.019 5.206 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 3 ASP QB 1 4 VAL H 3.200 . 3.300 2.631 2.213 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 ASP QB 1 4 VAL QG 3.500 . 5.000 4.071 3.679 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 3 ASP QB 1 5 VAL MG2 2.500 . 5.500 3.228 2.702 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 3 ASP QB 1 56 VAL QG 2.100 . 4.100 2.779 2.436 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 3 ASP QB 1 88 LEU QD 4.000 . 5.000 3.082 1.796 4.330 0.004 20 0 "[ . 1 . 2 . 3]" 1
35 1 4 VAL H 1 4 VAL HA 2.400 . 3.100 2.936 2.924 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 VAL H 1 4 VAL HB 3.200 . 4.000 2.814 2.278 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 VAL H 1 4 VAL QG 3.200 . 4.000 2.287 1.797 3.047 0.003 10 0 "[ . 1 . 2 . 3]" 1
38 1 4 VAL H 1 5 VAL H 3.500 . 5.000 4.347 4.179 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 VAL H 1 57 VAL H 3.200 . 4.500 3.598 3.097 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 VAL H 1 57 VAL HB 4.000 . 5.500 5.387 4.934 5.572 0.072 29 0 "[ . 1 . 2 . 3]" 1
41 1 4 VAL H 1 57 VAL MG2 3.100 . 4.300 3.155 2.335 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 VAL HA 1 4 VAL HB 2.500 . 3.300 2.954 2.899 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 VAL HA 1 4 VAL QG 2.400 . 2.800 1.967 1.886 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 VAL HA 1 5 VAL H 2.000 . 2.500 2.171 2.141 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 VAL HA 1 5 VAL HB 3.600 . 5.200 4.582 4.242 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 VAL HA 1 87 ARG HA 3.200 . 4.000 2.675 1.958 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 VAL HA 1 88 LEU H 2.500 . 3.300 2.655 2.399 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 VAL HA 1 88 LEU HB2 3.600 . 5.200 4.482 3.516 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 VAL HB 1 4 VAL QG 1.800 . 2.200 1.871 1.856 1.890 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 VAL HB 1 5 VAL H 3.200 . 4.500 4.105 3.585 4.551 0.051 21 0 "[ . 1 . 2 . 3]" 1
51 1 4 VAL HB 1 57 VAL H 4.000 . 5.000 4.002 3.572 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 4 VAL HB 1 57 VAL HA 3.600 . 5.500 5.413 5.021 5.564 0.064 12 0 "[ . 1 . 2 . 3]" 1
53 1 4 VAL HB 1 57 VAL MG2 2.300 . 3.000 2.062 1.658 3.044 0.044 3 0 "[ . 1 . 2 . 3]" 1
54 1 4 VAL QG 1 5 VAL H 3.600 . 5.200 2.885 2.468 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 4 VAL QG 1 6 ALA MB 2.700 . 5.500 3.939 3.348 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 4 VAL QG 1 57 VAL H 4.000 . 5.500 3.980 3.109 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 4 VAL QG 1 57 VAL HB 2.300 . 5.500 4.152 3.522 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 4 VAL QG 1 58 GLY H 3.300 . 4.700 4.510 4.249 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 4 VAL QG 1 58 GLY HA2 2.900 . 4.000 2.951 2.560 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 4 VAL QG 1 58 GLY HA3 3.200 . 4.500 4.009 3.625 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 4 VAL QG 1 86 ARG H 3.500 . 5.000 4.102 3.390 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 4 VAL QG 1 87 ARG HA 2.500 . 3.300 2.263 1.661 2.861 0.039 13 0 "[ . 1 . 2 . 3]" 1
63 1 4 VAL QG 1 87 ARG QD 2.500 . 5.500 2.495 1.689 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 4 VAL QG 1 87 ARG HG3 2.900 . 3.900 3.449 1.855 4.832 0.932 21 3 "[ . - *. 2+ . 3]" 1
65 1 4 VAL QG 1 88 LEU H . . 3.600 3.458 3.299 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 5 VAL H 1 5 VAL HA 2.800 . 3.800 2.946 2.937 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 VAL H 1 5 VAL HB 2.500 . 3.300 2.561 2.375 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 5 VAL H 1 5 VAL MG1 3.200 . 4.000 3.783 3.627 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 VAL H 1 5 VAL MG2 3.200 . 4.000 2.811 2.159 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 5 VAL H 1 6 ALA H 3.200 . 4.500 4.309 4.178 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 5 VAL H 1 57 VAL MG2 4.000 . 5.000 4.501 3.997 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 5 VAL H 1 86 ARG H 4.000 . 5.500 3.853 3.528 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 5 VAL H 1 87 ARG H 4.000 . 5.000 4.818 4.461 5.058 0.058 21 0 "[ . 1 . 2 . 3]" 1
74 1 5 VAL H 1 87 ARG HA 4.000 . 5.000 3.184 2.508 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 5 VAL H 1 88 LEU H 3.500 . 5.000 2.993 2.697 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 5 VAL H 1 88 LEU HB2 3.800 . 5.500 4.820 3.505 5.541 0.041 22 0 "[ . 1 . 2 . 3]" 1
77 1 5 VAL H 1 88 LEU QD 2.300 . 3.000 2.960 2.857 3.047 0.047 28 0 "[ . 1 . 2 . 3]" 1
78 1 5 VAL HA 1 5 VAL HB 2.400 . 3.100 3.012 2.972 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 5 VAL HA 1 5 VAL MG1 2.400 . 5.500 2.422 2.025 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 VAL HA 1 6 ALA H 1.900 . 2.400 2.160 2.144 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 5 VAL HA 1 6 ALA MB 3.000 . 4.100 4.010 3.944 4.105 0.005 28 0 "[ . 1 . 2 . 3]" 1
82 1 5 VAL HA 1 55 VAL H 4.000 . 5.000 3.711 3.525 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 5 VAL HA 1 56 VAL HA 2.300 . 3.000 3.033 2.945 3.069 0.069 3 0 "[ . 1 . 2 . 3]" 1
84 1 5 VAL HA 1 56 VAL QG 3.600 . 5.500 4.025 3.746 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 5 VAL HA 1 57 VAL H 2.700 . 3.600 3.308 2.914 3.608 0.008 28 0 "[ . 1 . 2 . 3]" 1
86 1 5 VAL HA 1 57 VAL MG2 2.400 . 5.500 3.693 2.737 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 5 VAL HB 1 5 VAL MG1 1.900 . 5.500 2.100 2.084 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 5 VAL HB 1 6 ALA H 3.200 . 4.500 4.349 4.037 4.507 0.007 27 0 "[ . 1 . 2 . 3]" 1
89 1 5 VAL HB 1 56 VAL HA 3.700 . 5.500 5.214 4.758 5.412 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 5 VAL HB 1 86 ARG HB3 2.400 . 3.100 3.035 2.478 4.027 0.927 27 3 "[ . *1 - 2 . + 3]" 1
91 1 5 VAL HB 1 86 ARG QD 2.900 . 4.000 3.815 3.533 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 5 VAL HB 1 88 LEU QD 2.800 . 3.800 2.445 1.886 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 5 VAL QG 1 86 ARG QD 2.900 . 3.900 3.238 1.961 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 5 VAL QG 1 86 ARG HG3 2.500 . 3.300 3.235 1.746 4.293 0.993 9 3 "[ . +1 * 2 . - 3]" 1
95 1 5 VAL MG1 1 6 ALA MB 3.500 . 5.000 4.081 3.913 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 5 VAL MG1 1 37 HIS HB2 3.700 . 5.400 3.454 2.897 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 5 VAL MG1 1 37 HIS HB3 3.400 . 4.800 3.527 3.192 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 5 VAL MG1 1 37 HIS HD2 2.700 . 3.600 3.559 3.413 3.649 0.049 15 0 "[ . 1 . 2 . 3]" 1
99 1 5 VAL MG1 1 54 MET HA 2.800 . 5.500 3.623 3.252 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 5 VAL MG1 1 54 MET HG2 2.800 . 3.800 2.773 2.169 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 5 VAL MG1 1 54 MET HG3 2.700 . 5.500 3.994 3.354 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 5 VAL MG1 1 56 VAL HA 2.200 . 5.500 3.844 3.082 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 5 VAL MG2 1 6 ALA H 3.400 . 4.800 4.017 3.712 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 6 ALA H 1 6 ALA HA 2.800 . 3.800 2.934 2.923 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 6 ALA H 1 6 ALA MB 2.300 . 3.000 2.253 2.169 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 6 ALA H 1 7 THR H 4.000 . 5.000 4.564 4.548 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 6 ALA H 1 55 VAL MG1 3.200 . 4.000 4.041 4.021 4.065 0.065 27 0 "[ . 1 . 2 . 3]" 1
108 1 6 ALA H 1 55 VAL MG2 2.300 . 3.000 2.002 1.650 2.165 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 6 ALA H 1 56 VAL HA 4.000 . 5.000 4.426 4.310 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 6 ALA H 1 57 VAL H 3.400 . 4.800 4.490 3.957 4.808 0.008 7 0 "[ . 1 . 2 . 3]" 1
111 1 6 ALA H 1 57 VAL MG2 3.700 . 5.400 3.822 2.760 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 6 ALA HA 1 6 ALA MB 2.100 . 2.700 2.105 2.085 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 6 ALA HA 1 7 THR H 2.100 . 2.700 2.445 2.248 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 6 ALA HA 1 7 THR HA 4.100 . 5.500 4.473 4.392 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 6 ALA HA 1 55 VAL MG2 3.400 . 4.800 3.888 3.773 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 6 ALA HA 1 85 VAL HA 3.200 . 4.000 2.263 1.979 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 6 ALA HA 1 85 VAL QG 4.000 . 5.000 2.649 2.039 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 6 ALA HA 1 86 ARG H 2.800 . 3.800 2.891 2.492 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 6 ALA MB 1 7 THR H 2.600 . 3.000 2.509 2.334 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 6 ALA MB 1 7 THR MG 3.200 . 5.500 5.100 5.043 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 6 ALA MB 1 8 ILE MD 2.500 . 3.300 3.194 2.922 3.383 0.083 7 0 "[ . 1 . 2 . 3]" 1
122 1 6 ALA MB 1 31 PRO HG2 3.000 . 5.500 5.583 5.042 6.098 0.598 17 4 "[ . 1- . + 2 .** 3]" 1
123 1 6 ALA MB 1 55 VAL H 2.900 . 4.000 3.569 3.400 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 6 ALA MB 1 55 VAL HB 3.200 . 5.500 4.405 4.271 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 6 ALA MB 1 55 VAL MG2 2.300 . 3.000 1.839 1.606 2.144 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 6 ALA MB 1 57 VAL MG2 2.100 . 5.500 3.700 2.812 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 6 ALA MB 1 85 VAL HA 2.800 . 3.800 3.535 3.199 3.829 0.029 8 0 "[ . 1 . 2 . 3]" 1
128 1 6 ALA MB 1 85 VAL QG 2.100 . 5.500 2.952 2.255 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 6 ALA MB 1 86 ARG H 3.300 . 4.700 4.249 3.823 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 7 THR H 1 7 THR HA 3.000 . 4.100 2.920 2.909 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 7 THR H 1 7 THR HB 2.500 . 3.300 2.923 2.735 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 7 THR H 1 7 THR MG 3.200 . 4.000 3.985 3.905 4.006 0.006 1 0 "[ . 1 . 2 . 3]" 1
133 1 7 THR H 1 8 ILE H 4.000 . 5.000 4.241 4.129 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 7 THR H 1 8 ILE HG12 3.500 . 5.000 4.027 3.828 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 7 THR H 1 84 ASP H 4.000 . 5.000 4.377 4.152 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 7 THR H 1 84 ASP HB2 4.000 . 5.000 4.256 3.194 5.236 0.236 8 0 "[ . 1 . 2 . 3]" 1
137 1 7 THR H 1 85 VAL HA 3.300 . 4.700 2.910 2.478 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 7 THR H 1 86 ARG H 4.000 . 5.500 4.693 4.375 4.981 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 7 THR HA 1 7 THR MG 2.300 . 3.000 2.284 2.251 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 7 THR HA 1 8 ILE H 2.000 . 2.500 2.083 2.052 2.103 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 7 THR HA 1 8 ILE HG12 3.400 . 4.800 3.256 3.033 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 7 THR HA 1 53 VAL H 4.000 . 5.000 4.943 4.776 5.017 0.017 5 0 "[ . 1 . 2 . 3]" 1
143 1 7 THR HA 1 54 MET HA 2.200 . 2.800 2.012 1.920 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 7 THR HA 1 54 MET HG2 3.200 . 4.000 3.365 2.811 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 7 THR HA 1 54 MET HG3 2.800 . 3.800 3.077 2.449 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 7 THR HA 1 55 VAL H 4.000 . 5.000 3.859 3.764 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 7 THR HB 1 7 THR MG 2.100 . 2.700 2.112 2.108 2.117 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 7 THR HB 1 84 ASP H 3.200 . 4.000 4.054 4.014 4.088 0.088 28 0 "[ . 1 . 2 . 3]" 1
149 1 7 THR HB 1 84 ASP HB2 2.200 . 2.800 2.447 1.612 3.170 0.370 25 0 "[ . 1 . 2 . 3]" 1
150 1 7 THR HB 1 84 ASP HB3 4.000 . 5.000 1.689 1.535 1.967 0.265 14 0 "[ . 1 . 2 . 3]" 1
151 1 7 THR MG 1 8 ILE H 2.400 . 3.100 2.633 2.462 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 7 THR MG 1 9 LYS HA 3.500 . 5.000 4.167 4.023 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 7 THR MG 1 9 LYS HD2 2.500 . 5.500 2.678 2.512 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 7 THR MG 1 9 LYS QE 3.200 . 5.500 3.814 3.627 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 7 THR MG 1 9 LYS QG 3.800 . 5.500 2.949 2.811 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 7 THR MG 1 52 ASN HA 2.500 . 3.300 3.272 3.153 3.336 0.036 7 0 "[ . 1 . 2 . 3]" 1
157 1 7 THR MG 1 52 ASN QB 2.700 . 3.000 2.204 2.091 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 7 THR MG 1 52 ASN HD22 3.600 . 5.200 5.094 4.937 5.220 0.020 12 0 "[ . 1 . 2 . 3]" 1
159 1 7 THR MG 1 54 MET H 2.700 . 5.500 3.683 3.652 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 7 THR MG 1 54 MET HA 3.100 . 4.300 3.088 2.998 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 7 THR MG 1 54 MET HB3 2.200 . 5.500 4.180 3.983 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 7 THR MG 1 54 MET ME 3.400 . 4.800 2.196 1.992 2.546 0.008 15 0 "[ . 1 . 2 . 3]" 1
163 1 7 THR MG 1 54 MET HG2 2.800 . 3.800 2.702 2.066 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 7 THR MG 1 54 MET HG3 2.500 . 3.300 1.926 1.690 2.317 0.010 12 0 "[ . 1 . 2 . 3]" 1
165 1 7 THR MG 1 84 ASP H 3.300 . 4.700 4.750 4.696 4.786 0.086 13 0 "[ . 1 . 2 . 3]" 1
166 1 7 THR MG 1 84 ASP HB2 3.200 . 4.000 3.189 2.789 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 7 THR MG 1 84 ASP HB3 4.000 . 5.000 2.890 2.542 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 8 ILE H 1 8 ILE HA 3.000 . 4.100 2.950 2.944 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 8 ILE H 1 8 ILE HB 2.400 . 3.100 2.726 2.639 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 8 ILE H 1 8 ILE MD 2.900 . 3.900 3.713 3.436 3.921 0.021 7 0 "[ . 1 . 2 . 3]" 1
171 1 8 ILE H 1 8 ILE HG12 4.000 . 5.000 2.434 2.175 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 8 ILE H 1 8 ILE MG 3.200 . 4.000 3.861 3.832 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 8 ILE H 1 9 LYS HD2 2.700 . 5.500 5.052 4.723 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 8 ILE H 1 53 VAL H 2.600 . 3.400 3.297 3.141 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 8 ILE H 1 53 VAL HB 3.300 . 4.700 3.652 3.352 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 8 ILE H 1 54 MET H 4.000 . 5.000 4.449 4.356 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 8 ILE H 1 54 MET HA 2.800 . 3.800 3.251 3.157 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 8 ILE H 1 55 VAL MG1 4.400 . 5.500 4.274 4.106 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 8 ILE HA 1 8 ILE HB 2.900 . 4.000 3.014 2.998 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 8 ILE HA 1 8 ILE MD 2.700 . 3.600 2.404 2.172 3.784 0.184 7 0 "[ . 1 . 2 . 3]" 1
181 1 8 ILE HA 1 8 ILE MG 2.300 . 3.000 2.168 2.054 2.215 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 8 ILE HA 1 9 LYS H 2.000 . 2.500 2.211 2.198 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 8 ILE HA 1 9 LYS HD2 3.000 . 5.500 5.303 5.068 5.508 0.008 12 0 "[ . 1 . 2 . 3]" 1
184 1 8 ILE HA 1 9 LYS HD3 2.800 . 5.500 5.109 4.788 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 8 ILE HA 1 9 LYS QG 3.400 . 4.800 3.271 3.221 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 8 ILE HA 1 82 VAL HA 2.200 . 2.800 2.771 2.694 2.822 0.022 20 0 "[ . 1 . 2 . 3]" 1
187 1 8 ILE HA 1 82 VAL MG1 2.900 . 3.900 3.926 3.780 3.955 0.055 15 0 "[ . 1 . 2 . 3]" 1
188 1 8 ILE HA 1 82 VAL MG2 4.000 . 5.000 3.344 3.198 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 8 ILE HA 1 83 THR H 4.000 . 5.000 4.392 4.329 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 8 ILE HA 1 84 ASP H 4.000 . 5.000 4.133 3.983 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 8 ILE HA 1 84 ASP HB2 3.200 . 4.500 4.457 3.855 5.148 0.648 28 4 "[ *. *1 . 2 .- + 3]" 1
192 1 8 ILE HB 1 8 ILE MD 3.200 . 4.000 3.190 2.435 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 8 ILE HB 1 8 ILE MG 1.800 . 2.200 2.088 2.065 2.104 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 8 ILE HB 1 9 LYS H 4.000 . 5.000 4.297 4.237 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 8 ILE HB 1 9 LYS QG 3.600 . 5.500 5.307 5.254 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 8 ILE HB 1 26 ILE MG 2.100 . 5.500 5.163 4.946 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 8 ILE HB 1 29 ARG QD 2.800 . 5.500 4.550 3.894 5.206 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 8 ILE HB 1 53 VAL H 2.900 . 3.900 3.414 3.236 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 8 ILE HB 1 53 VAL HB 2.200 . 2.800 2.664 2.304 2.818 0.018 7 0 "[ . 1 . 2 . 3]" 1
200 1 8 ILE HB 1 53 VAL QG 2.200 . 5.500 3.390 3.167 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 8 ILE MD 1 53 VAL HB 3.600 . 5.500 5.109 4.029 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 8 ILE MD 1 55 VAL MG1 1.800 . 5.500 3.963 3.293 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 8 ILE MD 1 67 ALA HA 3.700 . 5.400 5.402 4.945 5.444 0.044 27 0 "[ . 1 . 2 . 3]" 1
204 1 8 ILE MD 1 67 ALA MB 2.000 . 5.500 3.327 3.122 3.504 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 8 ILE MD 1 68 GLU HA 3.000 . 5.500 5.527 5.484 5.601 0.101 13 0 "[ . 1 . 2 . 3]" 1
206 1 8 ILE MD 1 82 VAL HA 3.400 . 4.800 2.709 2.345 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 8 ILE HG13 1 53 VAL HB 3.500 . 5.000 4.032 3.648 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 8 ILE HG13 1 67 ALA MB 2.500 . 5.500 4.336 4.027 5.462 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 8 ILE MG 1 9 LYS H 2.400 . 3.100 3.131 3.108 3.152 0.052 26 0 "[ . 1 . 2 . 3]" 1
210 1 8 ILE MG 1 9 LYS HA 3.500 . 5.000 4.339 4.221 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 8 ILE MG 1 9 LYS QD 2.200 . 5.500 5.513 5.284 5.584 0.084 29 0 "[ . 1 . 2 . 3]" 1
212 1 8 ILE MG 1 9 LYS QG 3.200 . 5.500 4.378 4.334 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 8 ILE MG 1 10 VAL HA 3.800 . 5.500 4.294 4.165 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 8 ILE MG 1 10 VAL HB 3.200 . 4.500 4.122 3.845 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 8 ILE MG 1 52 ASN HA 4.000 . 5.000 5.088 5.054 5.157 0.157 19 0 "[ . 1 . 2 . 3]" 1
216 1 8 ILE MG 1 53 VAL HB 3.300 . 5.500 4.030 3.806 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 8 ILE MG 1 82 VAL HA 2.700 . 3.600 2.871 2.786 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 8 ILE MG 1 83 THR H 4.000 . 5.000 5.050 5.006 5.086 0.086 11 0 "[ . 1 . 2 . 3]" 1
219 1 9 LYS H 1 9 LYS HA 2.500 . 3.300 2.929 2.925 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 9 LYS H 1 9 LYS HB2 2.300 . 3.000 3.028 2.995 3.050 0.050 29 0 "[ . 1 . 2 . 3]" 1
221 1 9 LYS H 1 9 LYS HD2 3.000 . 4.100 3.915 3.780 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 9 LYS H 1 9 LYS HD3 3.200 . 4.000 4.002 3.842 4.039 0.039 1 0 "[ . 1 . 2 . 3]" 1
223 1 9 LYS H 1 9 LYS QG 3.300 . 4.000 1.726 1.699 1.744 0.201 29 0 "[ . 1 . 2 . 3]" 1
224 1 9 LYS H 1 10 VAL H 4.000 . 5.000 4.098 4.065 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 9 LYS H 1 10 VAL QG 2.900 . 4.000 4.027 3.979 4.060 0.060 1 0 "[ . 1 . 2 . 3]" 1
226 1 9 LYS H 1 81 GLU H 2.800 . 3.800 3.131 2.989 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 9 LYS H 1 82 VAL H 3.900 . 5.500 4.694 4.604 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 9 LYS H 1 82 VAL HA 2.800 . 3.800 3.562 3.500 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 9 LYS H 1 82 VAL MG2 3.400 . 4.800 3.850 3.807 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 9 LYS H 1 83 THR H 4.000 . 5.000 4.382 4.266 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 9 LYS HA 1 9 LYS HB2 2.700 . 3.600 2.930 2.915 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 9 LYS HA 1 9 LYS HB3 2.100 . 2.700 2.240 2.234 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 9 LYS HA 1 9 LYS HD2 3.000 . 4.100 3.098 2.863 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 9 LYS HA 1 9 LYS HD3 4.000 . 5.000 4.399 4.197 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 9 LYS HA 1 9 LYS QG 3.200 . 3.300 3.035 2.999 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 9 LYS HA 1 10 VAL H 2.000 . 2.500 2.214 2.199 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 9 LYS HA 1 10 VAL QG 3.100 . 4.300 3.237 3.212 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 9 LYS HA 1 50 ALA MB 2.400 . 5.500 3.797 3.725 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 9 LYS HA 1 52 ASN HA 2.100 . 2.700 1.978 1.866 2.055 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 9 LYS HA 1 53 VAL H 3.200 . 4.000 3.287 3.145 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 9 LYS HA 1 80 ILE MG 4.100 . 5.500 3.393 3.345 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 9 LYS HB2 1 9 LYS QE 3.300 . 4.700 3.065 2.879 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 9 LYS HB2 1 9 LYS QG 2.200 . 2.800 2.132 2.128 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 9 LYS HB2 1 10 VAL H 4.000 . 5.000 4.183 4.138 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 9 LYS HB2 1 81 GLU H 3.200 . 4.000 2.708 2.548 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 9 LYS HB3 1 9 LYS QE 2.700 . 3.600 2.269 2.150 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 9 LYS HB3 1 9 LYS QG 2.500 . 3.300 2.512 2.484 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 9 LYS HB3 1 10 VAL H 2.900 . 3.900 4.023 3.993 4.049 0.149 21 0 "[ . 1 . 2 . 3]" 1
249 1 9 LYS HB3 1 81 GLU H 4.000 . 5.000 4.334 4.186 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 9 LYS HD2 1 9 LYS QE 2.200 . 2.700 2.240 2.144 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 9 LYS HD3 1 9 LYS QG 2.000 . 2.500 2.152 2.140 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 9 LYS QE 1 9 LYS QG 2.300 . 3.000 2.441 2.152 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 9 LYS QE 1 42 GLU HB3 2.500 . 5.500 4.668 4.244 5.182 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 9 LYS QE 1 44 ILE MD 2.800 . 5.500 4.188 3.665 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 9 LYS QE 1 52 ASN HD22 3.900 . 5.500 2.574 2.262 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 9 LYS QE 1 54 MET ME 2.800 . 5.500 4.952 4.518 5.262 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 9 LYS QE 1 81 GLU HB2 2.400 . 5.500 4.586 3.719 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 9 LYS QG 1 10 VAL H 4.000 . 5.000 4.722 4.695 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 9 LYS QG 1 52 ASN HA 3.400 . 4.800 3.726 3.554 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 9 LYS QG 1 81 GLU HB3 2.100 . 4.000 1.911 1.575 3.849 0.225 27 0 "[ . 1 . 2 . 3]" 1
261 1 9 LYS QG 1 81 GLU QG 3.000 . 4.100 2.743 2.409 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 9 LYS QG 1 82 VAL HA 3.300 . 4.600 4.380 4.293 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 10 VAL H 1 10 VAL HA 2.900 . 4.000 2.906 2.899 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 10 VAL H 1 10 VAL HB 3.200 . 4.000 3.574 3.512 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 10 VAL H 1 10 VAL QG . . 3.100 1.689 1.671 1.745 0.129 2 0 "[ . 1 . 2 . 3]" 1
266 1 10 VAL H 1 50 ALA MB 2.700 . 3.600 3.641 3.605 3.668 0.068 30 0 "[ . 1 . 2 . 3]" 1
267 1 10 VAL H 1 51 LEU H 2.800 . 3.800 3.180 3.008 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 10 VAL H 1 52 ASN HA 2.900 . 4.000 3.575 3.361 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 10 VAL H 1 53 VAL H 3.500 . 5.000 3.766 3.643 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 10 VAL H 1 53 VAL QG 3.300 . 4.700 3.700 3.572 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 10 VAL H 1 80 ILE MG 3.600 . 5.200 2.852 2.618 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 10 VAL H 1 82 VAL MG2 3.600 . 5.500 5.571 5.533 5.596 0.096 8 0 "[ . 1 . 2 . 3]" 1
273 1 10 VAL HA 1 10 VAL HB 3.000 . 4.100 2.228 2.212 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 10 VAL HA 1 10 VAL QG 2.200 . 2.800 2.581 2.559 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 10 VAL HA 1 11 MET H 1.900 . 2.400 2.197 2.175 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 10 VAL HA 1 11 MET HA 2.200 . 5.500 4.422 4.412 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 10 VAL HA 1 11 MET HB3 2.700 . 5.500 4.149 4.039 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 10 VAL HA 1 50 ALA HA 2.500 . 5.500 5.395 5.271 5.503 0.003 19 0 "[ . 1 . 2 . 3]" 1
279 1 10 VAL HA 1 51 LEU H 4.000 . 5.000 4.690 4.558 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 10 VAL HA 1 80 ILE HA 2.600 . 3.000 2.016 1.923 2.087 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 10 VAL HA 1 80 ILE HB 3.200 . 4.500 4.059 3.985 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 10 VAL HA 1 80 ILE MD 3.200 . 4.000 3.825 3.676 4.008 0.008 9 0 "[ . 1 . 2 . 3]" 1
283 1 10 VAL HA 1 80 ILE QG 2.300 . 3.000 2.136 1.974 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 10 VAL HA 1 80 ILE MG 4.000 . 5.000 2.470 1.969 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 10 VAL HA 1 81 GLU H 2.900 . 4.000 3.530 3.397 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 10 VAL HA 1 82 VAL MG2 1.900 . 5.500 4.800 4.729 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 10 VAL HB 1 10 VAL QG 2.000 . 2.500 1.870 1.861 1.877 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 10 VAL HB 1 22 LEU QD 1.900 . 5.500 3.629 3.438 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 10 VAL HB 1 74 ILE MG 2.600 . 5.500 4.880 4.729 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 10 VAL HB 1 78 SER QB 2.900 . 4.000 3.584 2.755 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 10 VAL HB 1 82 VAL MG2 1.800 . 5.500 5.174 4.999 5.312 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 10 VAL QG 1 11 MET H 2.600 . 3.400 3.019 2.845 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 10 VAL QG 1 22 LEU HG 2.900 . 4.000 2.699 1.849 4.016 0.016 26 0 "[ . 1 . 2 . 3]" 1
294 1 10 VAL QG 1 51 LEU H 2.400 . 3.100 2.779 2.553 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 10 VAL QG 1 51 LEU HA 3.700 . 5.500 4.604 4.434 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 10 VAL QG 1 52 ASN HA 3.600 . 5.200 4.113 3.914 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 10 VAL QG 1 75 GLU QB 2.900 . 3.900 3.729 3.582 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 10 VAL QG 1 75 GLU QG 2.800 . 3.700 3.433 3.046 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 10 VAL QG 1 78 SER HA 4.200 . 5.500 4.556 4.340 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 10 VAL QG 1 78 SER QB 2.700 . 3.600 2.771 2.213 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 10 VAL QG 1 80 ILE MG 3.500 . 5.000 1.964 1.943 1.981 0.057 2 0 "[ . 1 . 2 . 3]" 1
302 1 10 VAL QG 1 81 GLU H 3.600 . 5.500 4.425 4.328 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 11 MET H 1 11 MET HA 2.700 . 3.600 2.905 2.897 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 11 MET H 1 11 MET HB2 3.200 . 4.000 3.945 3.852 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 11 MET H 1 11 MET HB3 2.400 . 3.100 2.987 2.799 3.118 0.018 27 0 "[ . 1 . 2 . 3]" 1
306 1 11 MET H 1 11 MET HG2 3.400 . 4.800 3.564 3.196 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 11 MET H 1 11 MET HG3 3.500 . 5.000 3.475 3.068 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 11 MET H 1 22 LEU QD 2.700 . 5.500 4.224 4.093 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 11 MET H 1 50 ALA MB 2.400 . 5.500 3.838 3.741 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 11 MET H 1 78 SER QB 4.000 . 5.000 3.443 2.868 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 11 MET H 1 79 ASN H 3.000 . 4.100 3.933 3.794 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 11 MET H 1 79 ASN HA 4.000 . 5.000 4.738 4.670 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 11 MET H 1 79 ASN HB3 3.600 . 5.200 5.068 4.941 5.203 0.003 23 0 "[ . 1 . 2 . 3]" 1
314 1 11 MET H 1 80 ILE HA 4.000 . 5.000 3.087 3.007 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 11 MET H 1 80 ILE QG 2.700 . 3.600 3.251 2.993 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 11 MET HA 1 11 MET HB2 2.500 . 3.300 2.272 2.223 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 11 MET HA 1 11 MET HB3 2.500 . 3.300 2.696 2.578 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 11 MET HA 1 11 MET HG2 3.200 . 4.500 4.073 3.997 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 11 MET HA 1 11 MET HG3 3.100 . 4.300 3.452 3.308 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 11 MET HA 1 12 PRO HG3 3.100 . 5.500 3.947 3.876 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 11 MET HA 1 22 LEU QD 2.900 . 4.000 3.219 2.970 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 11 MET HA 1 50 ALA HA 2.700 . 3.600 2.601 2.463 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 11 MET HA 1 50 ALA MB 2.700 . 3.600 3.123 3.029 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 11 MET HA 1 51 LEU H 3.300 . 4.700 3.905 3.688 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 11 MET HA 1 51 LEU QD 3.200 . 4.500 4.387 4.204 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 11 MET HA 1 78 SER QB 2.400 . 5.500 3.808 3.366 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 11 MET QB 1 43 PRO HA 3.600 . 5.500 5.574 5.542 5.607 0.107 13 0 "[ . 1 . 2 . 3]" 1
328 1 11 MET HB2 1 11 MET HG3 2.300 . 3.000 2.750 2.640 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 11 MET HB2 1 12 PRO HD3 2.900 . 4.000 3.702 3.523 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 11 MET HB2 1 50 ALA H 2.800 . 3.800 3.805 3.598 3.918 0.118 1 0 "[ . 1 . 2 . 3]" 1
331 1 11 MET HB2 1 50 ALA HA 3.400 . 4.800 2.870 2.575 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 11 MET HB2 1 50 ALA MB 2.600 . 3.400 2.103 1.777 2.337 0.023 21 0 "[ . 1 . 2 . 3]" 1
333 1 11 MET HB3 1 11 MET HG2 2.200 . 2.800 2.234 2.202 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 11 MET ME 1 11 MET HG2 3.600 . 5.200 3.088 2.557 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 11 MET ME 1 12 PRO HD2 3.700 . 5.400 3.769 3.036 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 11 MET ME 1 13 GLU H 3.600 . 5.200 4.041 3.598 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 11 MET ME 1 13 GLU HA 3.500 . 5.000 2.469 2.276 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 11 MET ME 1 14 SER H 3.500 . 5.500 4.809 4.510 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 11 MET ME 1 15 PRO HA 3.700 . 5.400 5.452 5.381 5.491 0.091 23 0 "[ . 1 . 2 . 3]" 1
340 1 11 MET ME 1 44 ILE HA 2.700 . 5.500 5.523 5.460 5.560 0.060 3 0 "[ . 1 . 2 . 3]" 1
341 1 11 MET ME 1 45 ALA HA 3.900 . 5.500 4.697 4.309 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 11 MET ME 1 47 GLY H 2.600 . 5.500 5.466 5.367 5.549 0.049 29 0 "[ . 1 . 2 . 3]" 1
343 1 11 MET ME 1 77 VAL QG 2.900 . 5.500 5.133 4.904 5.401 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 11 MET HG2 1 44 ILE MD 3.500 . 5.000 4.367 3.969 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 11 MET HG2 1 50 ALA MB 3.500 . 5.000 3.480 3.236 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 11 MET HG2 1 79 ASN H 4.000 . 5.000 4.745 4.466 5.026 0.026 18 0 "[ . 1 . 2 . 3]" 1
347 1 11 MET HG3 1 50 ALA MB 3.200 . 5.500 4.126 4.041 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 11 MET HG3 1 79 ASN H 4.000 . 5.000 3.969 3.615 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 12 PRO HA 1 12 PRO HB3 2.200 . 2.800 2.276 2.267 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 12 PRO HA 1 12 PRO HG3 2.700 . 3.600 3.148 3.038 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 12 PRO HA 1 13 GLU H 2.000 . 2.500 2.141 2.122 2.158 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 12 PRO HA 1 13 GLU QG 2.100 . 5.500 4.710 4.110 5.134 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 12 PRO HA 1 14 SER H 3.200 . 4.000 3.698 3.598 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 12 PRO HA 1 17 VAL QG 3.600 . 5.200 4.265 3.911 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 12 PRO HA 1 22 LEU QD 2.900 . 5.500 4.047 3.862 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 12 PRO HA 1 75 GLU QB 3.000 . 5.500 4.693 4.450 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 12 PRO HA 1 75 GLU QG 3.800 . 5.500 5.027 4.681 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 12 PRO HA 1 77 VAL HA 3.100 . 5.500 4.854 4.669 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 12 PRO HA 1 77 VAL QG 2.700 . 3.800 2.707 2.216 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 12 PRO HA 1 78 SER H 3.200 . 4.000 3.530 3.407 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 12 PRO HA 1 78 SER QB 3.600 . 5.200 2.448 2.131 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 12 PRO HA 1 79 ASN H 4.000 . 5.000 3.893 3.777 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 12 PRO HB2 1 14 SER H 2.500 . 3.300 3.325 3.304 3.342 0.042 11 0 "[ . 1 . 2 . 3]" 1
364 1 12 PRO HB2 1 16 ASP H 3.300 . 4.700 4.635 4.437 4.753 0.053 29 0 "[ . 1 . 2 . 3]" 1
365 1 12 PRO HB2 1 17 VAL HA 1.900 . 2.400 2.480 2.430 2.513 0.113 2 0 "[ . 1 . 2 . 3]" 1
366 1 12 PRO HB2 1 17 VAL QG 2.500 . 3.300 2.431 1.774 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 12 PRO HB2 1 18 ASP H 4.000 . 5.000 4.537 4.427 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 12 PRO HB3 1 13 GLU H 3.000 . 4.100 3.761 3.651 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 12 PRO HB3 1 17 VAL HA 2.800 . 3.800 3.283 3.170 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 12 PRO HB3 1 17 VAL QG 3.200 . 4.500 3.676 3.250 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 12 PRO HD2 1 17 VAL H 3.300 . 5.500 5.090 4.977 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 12 PRO HD3 1 12 PRO HG3 2.800 . 3.800 2.335 2.323 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 12 PRO HD3 1 17 VAL HA 3.500 . 5.000 4.376 4.203 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 12 PRO HD3 1 51 LEU QD 3.500 . 5.000 4.200 4.090 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 12 PRO HG2 1 17 VAL HA 2.400 . 3.100 1.812 1.668 1.989 0.032 9 0 "[ . 1 . 2 . 3]" 1
376 1 12 PRO HG2 1 17 VAL QG 2.800 . 3.800 2.022 1.764 2.312 0.036 12 0 "[ . 1 . 2 . 3]" 1
377 1 12 PRO HG2 1 18 ASP H 4.000 . 5.000 3.391 3.303 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 12 PRO HG3 1 78 SER QB 2.500 . 3.300 2.605 2.023 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 13 GLU H 1 13 GLU HA 2.500 . 3.300 2.785 2.775 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 13 GLU H 1 13 GLU HB2 2.600 . 3.400 2.144 2.067 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 13 GLU H 1 13 GLU HB3 3.200 . 4.000 3.435 3.320 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 13 GLU H 1 13 GLU QG 3.200 . 4.000 3.015 2.410 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 13 GLU H 1 14 SER H 2.600 . 3.000 2.698 2.663 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 13 GLU H 1 17 VAL QG 4.000 . 5.500 4.910 4.560 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 13 GLU H 1 77 VAL HA 2.900 . 3.900 3.920 3.834 3.970 0.070 4 0 "[ . 1 . 2 . 3]" 1
386 1 13 GLU H 1 78 SER H 3.100 . 4.300 4.297 4.215 4.362 0.062 26 0 "[ . 1 . 2 . 3]" 1
387 1 13 GLU H 1 78 SER QB 4.000 . 5.000 4.221 4.000 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 13 GLU HA 1 13 GLU HB2 2.500 . 3.300 2.935 2.870 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 13 GLU HA 1 13 GLU HB3 2.200 . 2.800 2.732 2.559 2.821 0.021 29 0 "[ . 1 . 2 . 3]" 1
390 1 13 GLU HA 1 13 GLU QG 2.200 . 2.800 2.269 2.048 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 13 GLU HA 1 14 SER H 2.800 . 3.800 3.488 3.468 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 13 GLU HA 1 17 VAL QG 3.600 . 5.200 4.750 4.476 5.006 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 13 GLU HA 1 48 LEU QD 2.200 . 2.800 2.800 2.627 2.837 0.037 3 0 "[ . 1 . 2 . 3]" 1
394 1 13 GLU HA 1 77 VAL QG 3.100 . 4.300 4.219 4.122 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 13 GLU HA 1 78 SER HA 4.000 . 5.500 4.852 4.713 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 13 GLU HB2 1 77 VAL HA 3.300 . 4.700 3.416 3.163 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 13 GLU HB3 1 13 GLU QG 2.100 . 2.700 2.368 2.151 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 13 GLU HB3 1 14 SER HA 3.200 . 4.500 4.059 3.946 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 13 GLU QG 1 79 ASN H 2.200 . 5.500 3.614 2.840 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 14 SER H 1 14 SER HA 2.500 . 3.300 2.874 2.865 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 14 SER H 1 14 SER HB2 2.700 . 3.600 2.540 2.112 3.605 0.005 4 0 "[ . 1 . 2 . 3]" 1
402 1 14 SER H 1 14 SER HB3 3.200 . 4.000 3.149 2.251 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 14 SER H 1 16 ASP H 4.000 . 5.000 4.596 4.477 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 14 SER H 1 17 VAL QG 2.300 . 5.500 4.267 3.951 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 14 SER H 1 77 VAL HA 4.000 . 5.500 5.016 4.826 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 14 SER H 1 77 VAL QG 3.400 . 4.800 2.270 1.998 2.586 0.002 25 0 "[ . 1 . 2 . 3]" 1
407 1 14 SER HA 1 14 SER HB2 2.500 . 3.300 2.788 2.290 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 14 SER HA 1 15 PRO HA 2.500 . 5.500 4.408 4.371 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 14 SER HA 1 15 PRO HB3 3.600 . 5.200 4.947 4.890 5.302 0.102 6 0 "[ . 1 . 2 . 3]" 1
410 1 14 SER HA 1 15 PRO HG2 3.400 . 4.800 4.520 4.445 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 14 SER HA 1 16 ASP H 3.300 . 4.700 3.798 3.745 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 14 SER HA 1 48 LEU QD 2.700 . 3.600 3.503 3.368 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 14 SER HB2 1 16 ASP H 2.900 . 3.900 3.349 2.658 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 14 SER HB2 1 16 ASP HB2 3.600 . 5.200 4.126 3.325 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 14 SER HB2 1 17 VAL QG 3.000 . 5.500 4.924 4.239 5.464 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 14 SER HB2 1 77 VAL QG 3.100 . 4.300 2.767 1.993 4.051 0.007 22 0 "[ . 1 . 2 . 3]" 1
417 1 14 SER HB3 1 15 PRO HD2 2.600 . 3.400 2.822 2.036 3.781 0.381 15 0 "[ . 1 . 2 . 3]" 1
418 1 14 SER HB3 1 16 ASP H 2.600 . 3.000 2.638 2.081 3.960 0.960 4 7 "[ * +. ** 1 ** 2 .- 3]" 1
419 1 15 PRO HA 1 15 PRO HB2 2.400 . 3.100 2.736 2.713 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 15 PRO HA 1 15 PRO HB3 2.100 . 2.700 2.293 2.255 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 15 PRO HA 1 15 PRO HG2 3.000 . 4.100 3.866 3.848 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 15 PRO HA 1 15 PRO HG3 4.000 . 5.000 3.972 3.279 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 15 PRO HA 1 16 ASP H 2.900 . 4.000 3.338 3.294 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 15 PRO HA 1 17 VAL H 3.300 . 4.700 3.411 3.333 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 15 PRO HA 1 48 LEU QD 2.700 . 2.800 1.673 1.585 1.765 0.015 12 0 "[ . 1 . 2 . 3]" 1
426 1 15 PRO HD2 1 16 ASP H 2.400 . 5.500 2.924 2.650 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 15 PRO HD3 1 15 PRO HG3 3.000 . 4.100 2.309 2.304 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 15 PRO HD3 1 48 LEU QD 3.100 . 4.300 3.513 3.311 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 15 PRO HG2 1 16 ASP H 3.200 . 4.500 3.257 3.085 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 15 PRO HG2 1 16 ASP HB2 3.000 . 5.500 4.378 3.682 5.610 0.110 30 0 "[ . 1 . 2 . 3]" 1
431 1 16 ASP H 1 16 ASP HA 2.500 . 3.300 2.918 2.915 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 16 ASP H 1 16 ASP HB2 2.300 . 3.000 2.462 2.193 3.624 0.624 14 3 "[ . 1 +. 2 . * -]" 1
433 1 16 ASP H 1 16 ASP HB3 2.800 . 3.700 3.247 2.807 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 16 ASP H 1 17 VAL H 2.300 . 3.000 3.026 2.920 3.102 0.102 5 0 "[ . 1 . 2 . 3]" 1
435 1 16 ASP H 1 17 VAL HB 4.000 . 5.500 5.354 5.193 5.504 0.004 21 0 "[ . 1 . 2 . 3]" 1
436 1 16 ASP H 1 17 VAL QG 3.200 . 4.000 3.685 3.531 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 16 ASP H 1 48 LEU QD 3.300 . 4.700 3.950 3.819 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 16 ASP HA 1 16 ASP HB2 2.300 . 3.000 2.834 2.539 3.023 0.023 27 0 "[ . 1 . 2 . 3]" 1
439 1 16 ASP HA 1 16 ASP HB3 2.600 . 3.400 2.735 2.325 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 16 ASP HA 1 17 VAL H 2.600 . 3.000 2.788 2.695 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 16 ASP HB2 1 17 VAL H 4.000 . 5.000 4.366 4.124 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 16 ASP HB3 1 17 VAL H 4.000 . 5.000 4.323 4.140 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 17 VAL H 1 17 VAL HA 2.400 . 3.100 2.818 2.798 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 17 VAL H 1 17 VAL HB 2.600 . 3.400 2.809 2.462 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 17 VAL H 1 17 VAL QG 2.100 . 2.700 1.890 1.483 2.330 0.317 29 0 "[ . 1 . 2 . 3]" 1
446 1 17 VAL H 1 18 ASP H 3.200 . 4.000 4.029 3.957 4.100 0.100 14 0 "[ . 1 . 2 . 3]" 1
447 1 17 VAL HA 1 17 VAL HB 2.500 . 3.300 2.647 2.204 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 17 VAL HA 1 17 VAL QG 2.300 . 2.800 2.315 2.048 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 17 VAL HA 1 18 ASP H 1.900 . 2.400 2.302 2.195 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 17 VAL HA 1 22 LEU QD 2.900 . 4.000 3.804 3.658 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 17 VAL HB 1 17 VAL QG 2.200 . 2.500 1.865 1.857 1.878 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 17 VAL MG1 1 17 VAL MG2 1.900 . 2.400 2.006 1.871 2.073 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 17 VAL QG 1 18 ASP H 4.000 . 4.000 3.440 3.382 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 17 VAL QG 1 19 LEU HA 3.100 . 4.300 3.470 3.347 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 17 VAL QG 1 19 LEU QB 3.000 . 5.500 3.442 2.848 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 17 VAL QG 1 22 LEU H 3.600 . 5.500 5.335 5.163 5.428 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 17 VAL QG 1 22 LEU HB2 3.200 . 4.400 4.066 3.786 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 17 VAL QG 1 22 LEU QD 2.000 . 5.500 2.745 2.533 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 17 VAL QG 1 22 LEU HG 3.500 . 5.000 4.890 4.490 5.036 0.036 27 0 "[ . 1 . 2 . 3]" 1
460 1 17 VAL QG 1 44 ILE QG 3.100 . 5.500 4.377 4.248 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 17 VAL QG 1 47 GLY HA3 2.700 . 5.500 5.048 4.737 5.323 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 17 VAL QG 1 48 LEU HA 3.500 . 5.000 1.803 1.494 2.185 0.506 29 1 "[ . 1 . 2 . +3]" 1
463 1 17 VAL QG 1 48 LEU QB 2.300 . 5.500 2.121 1.812 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 17 VAL QG 1 48 LEU QD 1.900 . 3.000 1.869 1.576 2.574 0.024 2 0 "[ . 1 . 2 . 3]" 1
465 1 17 VAL QG 1 49 VAL H 3.100 . 3.400 2.373 2.167 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 17 VAL QG 1 49 VAL HA 3.100 . 5.500 4.017 3.881 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 17 VAL QG 1 49 VAL HB 2.700 . 4.700 3.140 2.776 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 17 VAL QG 1 50 ALA MB 3.400 . 4.800 4.374 4.225 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 17 VAL QG 1 51 LEU QD 2.800 . 5.500 3.399 3.189 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 18 ASP H 1 18 ASP HA 2.600 . 3.400 2.867 2.855 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 18 ASP H 1 18 ASP QB 2.600 . 3.000 2.409 2.154 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 18 ASP H 1 19 LEU H 4.000 . 5.000 4.238 4.089 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 18 ASP H 1 19 LEU HA 2.200 . 5.500 5.187 5.059 5.300 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 18 ASP HA 1 18 ASP QB 2.500 . 3.000 2.375 2.166 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 18 ASP HA 1 19 LEU H 2.000 . 2.500 2.185 2.116 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 18 ASP HA 1 20 GLU H 2.900 . 4.000 3.903 3.628 4.112 0.112 18 0 "[ . 1 . 2 . 3]" 1
477 1 18 ASP HA 1 21 ALA H 3.200 . 4.000 4.022 3.896 4.086 0.086 18 0 "[ . 1 . 2 . 3]" 1
478 1 18 ASP HA 1 21 ALA MB 3.200 . 4.500 4.032 3.950 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 18 ASP HA 1 22 LEU H 3.700 . 5.400 4.800 4.734 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 18 ASP QB 1 19 LEU H 4.000 . 4.000 3.647 3.527 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 18 ASP QB 1 20 GLU H 3.200 . 4.000 3.862 3.563 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 18 ASP QB 1 21 ALA H 3.200 . 4.000 2.381 2.195 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 18 ASP QB 1 21 ALA MB 2.300 . 3.000 1.772 1.660 1.888 0.040 3 0 "[ . 1 . 2 . 3]" 1
484 1 19 LEU H 1 19 LEU HA 2.400 . 3.100 2.809 2.789 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 19 LEU H 1 19 LEU QB 2.200 . 2.800 2.176 2.026 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 19 LEU H 1 20 GLU H 2.600 . 3.000 2.751 2.634 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 19 LEU H 1 21 ALA H 3.200 . 4.000 4.054 4.011 4.115 0.115 9 0 "[ . 1 . 2 . 3]" 1
488 1 19 LEU HA 1 19 LEU QB 2.500 . 3.300 2.293 2.136 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 19 LEU HA 1 19 LEU QD 3.200 . 4.000 2.872 1.829 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 19 LEU HA 1 19 LEU HG 3.300 . 4.700 3.426 2.189 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 19 LEU HA 1 22 LEU H 2.900 . 4.000 3.486 3.245 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 19 LEU HA 1 22 LEU HB2 2.300 . 3.000 2.792 2.333 3.104 0.104 18 0 "[ . 1 . 2 . 3]" 1
493 1 19 LEU HA 1 22 LEU HB3 2.400 . 3.100 3.069 2.608 3.267 0.167 8 0 "[ . 1 . 2 . 3]" 1
494 1 19 LEU HA 1 22 LEU QD 2.200 . 5.500 3.356 3.051 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 19 LEU HA 1 51 LEU QD 2.400 . 3.100 2.535 2.047 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 19 LEU HA 1 51 LEU HG 2.700 . 5.500 4.839 3.634 5.520 0.020 4 0 "[ . 1 . 2 . 3]" 1
497 1 19 LEU QB 1 19 LEU QD 2.200 . 2.800 1.887 1.693 2.073 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 19 LEU QB 1 20 GLU H 3.000 . 4.100 2.914 2.264 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 19 LEU QB 1 23 LYS QE 3.500 . 5.000 4.281 3.509 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 19 LEU QD 1 20 GLU H 3.800 . 5.500 2.970 1.408 3.625 0.592 13 2 "[ . 1 + . 2 .- 3]" 1
501 1 19 LEU QD 1 20 GLU HA 2.700 . 3.600 3.072 2.442 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 19 LEU QD 1 23 LYS HA 3.500 . 5.000 4.806 4.310 4.979 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 19 LEU QD 1 23 LYS QE 3.000 . 4.100 2.220 1.666 3.092 0.234 28 0 "[ . 1 . 2 . 3]" 1
504 1 19 LEU QD 1 23 LYS QG 2.900 . 4.000 3.235 2.484 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 19 LEU HG 1 23 LYS QE 2.400 . 5.500 4.323 2.549 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 19 LEU HG 1 51 LEU QD 1.800 . 5.500 3.170 1.410 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 20 GLU H 1 20 GLU HA 2.300 . 3.000 2.826 2.809 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 20 GLU H 1 20 GLU HB2 2.300 . 3.000 2.912 2.592 3.609 0.609 21 7 "[ *. -1 *. * 2+ * * 3]" 1
509 1 20 GLU H 1 20 GLU HB3 2.700 . 3.600 2.402 2.282 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 20 GLU H 1 20 GLU QG 4.000 . 5.000 3.606 2.169 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 20 GLU H 1 21 ALA H 2.200 . 2.800 2.600 2.520 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 20 GLU H 1 22 LEU H 3.000 . 4.100 3.913 3.752 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 20 GLU HA 1 20 GLU HB2 2.200 . 2.800 2.384 2.328 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 20 GLU HA 1 20 GLU QG 3.200 . 3.900 2.916 2.484 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 20 GLU HA 1 21 ALA H 2.800 . 3.800 3.515 3.493 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 20 GLU HA 1 23 LYS H 3.200 . 4.000 3.203 3.025 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 20 GLU HA 1 23 LYS HA 2.700 . 5.500 4.851 4.609 5.150 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 20 GLU HA 1 23 LYS HB2 2.300 . 3.000 2.233 1.960 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 20 GLU HA 1 23 LYS HD2 2.300 . 5.500 3.551 2.657 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 20 GLU HA 1 23 LYS QE . . 3.800 3.149 2.409 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 20 GLU HA 1 23 LYS QG 2.400 . 5.500 3.331 2.754 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 20 GLU HA 1 24 LYS HG2 2.500 . 5.500 5.467 5.047 6.393 0.893 16 2 "[ . 1 .+ 2 . -]" 1
523 1 20 GLU HB2 1 21 ALA H 3.200 . 4.000 4.007 3.897 4.094 0.094 19 0 "[ . 1 . 2 . 3]" 1
524 1 20 GLU HB2 1 23 LYS QG 3.000 . 5.500 5.095 4.755 5.335 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 20 GLU HB3 1 21 ALA H 2.900 . 3.900 3.049 2.665 4.007 0.107 21 0 "[ . 1 . 2 . 3]" 1
526 1 20 GLU HB3 1 21 ALA MB 3.300 . 5.500 4.370 3.902 5.409 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 20 GLU HB3 1 22 LEU H 4.000 . 5.500 5.099 4.882 5.659 0.159 4 0 "[ . 1 . 2 . 3]" 1
528 1 20 GLU QG 1 21 ALA HA 2.700 . 3.600 3.411 3.107 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 20 GLU QG 1 24 LYS H 3.900 . 5.500 4.807 4.320 5.338 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 20 GLU QG 1 24 LYS QE 3.600 . 5.200 3.965 2.447 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 21 ALA H 1 21 ALA HA 2.300 . 3.000 2.861 2.852 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 21 ALA H 1 21 ALA MB 2.000 . 2.500 2.218 2.100 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 21 ALA H 1 22 LEU H 2.500 . 3.300 2.424 2.344 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 21 ALA H 1 22 LEU HB2 3.500 . 5.000 4.330 4.147 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 21 ALA H 1 23 LYS H 4.000 . 5.000 3.747 3.638 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 21 ALA HA 1 21 ALA MB 1.900 . 2.400 2.114 2.086 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 21 ALA HA 1 22 LEU H 2.600 . 3.400 3.479 3.459 3.492 0.092 20 0 "[ . 1 . 2 . 3]" 1
538 1 21 ALA HA 1 23 LYS H 3.200 . 4.000 3.982 3.852 4.060 0.060 12 0 "[ . 1 . 2 . 3]" 1
539 1 21 ALA HA 1 23 LYS HB2 2.700 . 5.500 4.570 4.445 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 21 ALA HA 1 23 LYS HB3 3.700 . 5.500 5.521 5.413 5.578 0.078 2 0 "[ . 1 . 2 . 3]" 1
541 1 21 ALA HA 1 24 LYS H 2.700 . 3.600 3.488 3.307 3.643 0.043 16 0 "[ . 1 . 2 . 3]" 1
542 1 21 ALA HA 1 24 LYS HB3 2.600 . 5.500 5.003 3.931 5.494 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 21 ALA HA 1 24 LYS HD2 3.100 . 4.300 4.504 1.932 5.097 0.797 5 9 "[* * +** 1 **. *2 . -3]" 1
544 1 21 ALA HA 1 24 LYS HG2 3.900 . 5.500 3.702 2.142 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 21 ALA MB 1 22 LEU H 2.600 . 3.000 2.677 2.579 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 21 ALA MB 1 22 LEU HA 2.700 . 5.500 3.840 3.754 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 21 ALA MB 1 22 LEU HB2 2.800 . 5.500 4.010 3.888 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 21 ALA MB 1 22 LEU QD 2.400 . 5.500 4.168 3.702 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 21 ALA MB 1 23 LYS H 3.200 . 4.500 4.330 4.244 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 21 ALA MB 1 24 LYS H 4.000 . 5.000 4.637 4.535 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 21 ALA MB 1 24 LYS QE 3.200 . 4.500 3.138 2.720 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 22 LEU H 1 22 LEU HA 2.500 . 3.300 2.847 2.838 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 22 LEU H 1 22 LEU HB2 2.200 . 2.800 2.162 2.056 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 22 LEU H 1 22 LEU HB3 3.200 . 4.000 2.966 2.790 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 22 LEU H 1 22 LEU QD 3.000 . 4.100 3.516 3.235 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 22 LEU H 1 22 LEU HG 3.400 . 4.800 4.374 3.669 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 22 LEU H 1 23 LYS H 2.400 . 3.100 2.431 2.396 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 22 LEU H 1 24 LYS H 4.000 . 5.500 4.280 4.157 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 22 LEU HA 1 22 LEU HB2 2.400 . 3.100 2.726 2.638 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 22 LEU HA 1 22 LEU HB3 2.200 . 5.500 2.947 2.851 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 22 LEU HA 1 22 LEU QD 3.200 . 3.300 1.814 1.678 2.056 0.122 1 0 "[ . 1 . 2 . 3]" 1
562 1 22 LEU HA 1 22 LEU HG 2.700 . 3.600 3.101 2.519 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 22 LEU HA 1 23 LYS H 2.900 . 4.000 3.457 3.432 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 22 LEU HA 1 24 LYS H 4.000 . 5.000 4.286 4.157 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 22 LEU HA 1 25 GLU H 3.200 . 4.000 3.220 3.118 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 22 LEU HA 1 25 GLU QB 2.200 . 2.800 2.472 2.183 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 22 LEU HA 1 25 GLU HG2 2.200 . 5.500 4.111 2.502 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 22 LEU HA 1 25 GLU HG3 2.800 . 3.700 2.957 2.351 4.172 0.472 30 0 "[ . 1 . 2 . 3]" 1
569 1 22 LEU HA 1 26 ILE H 3.200 . 4.000 4.024 3.952 4.062 0.062 8 0 "[ . 1 . 2 . 3]" 1
570 1 22 LEU HB2 1 22 LEU QD 2.400 . 5.500 2.078 1.893 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 22 LEU HB2 1 23 LYS H 2.700 . 3.600 3.522 3.303 3.638 0.038 27 0 "[ . 1 . 2 . 3]" 1
572 1 22 LEU HB3 1 22 LEU QD 2.600 . 3.400 2.425 2.080 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 22 LEU HB3 1 23 LYS H 2.500 . 3.300 2.945 2.746 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 22 LEU QD 1 23 LYS H 3.000 . 5.500 4.083 3.971 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 22 LEU QD 1 25 GLU H 2.800 . 3.800 3.813 3.759 3.911 0.111 30 0 "[ . 1 . 2 . 3]" 1
576 1 22 LEU QD 1 26 ILE H 2.800 . 3.800 3.585 3.379 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 22 LEU QD 1 29 ARG QD 3.400 . 5.500 4.283 3.681 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 22 LEU QD 1 29 ARG HG2 2.500 . 5.500 5.047 4.577 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 22 LEU QD 1 50 ALA HA 3.200 . 4.500 3.982 3.553 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 22 LEU QD 1 78 SER QB 2.100 . 2.700 2.493 2.332 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 23 LYS H 1 23 LYS HB2 2.500 . 3.300 2.061 2.035 2.081 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 23 LYS H 1 23 LYS HB3 2.300 . 5.500 3.354 3.296 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 23 LYS H 1 23 LYS QG 4.100 . 5.500 3.425 3.046 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 23 LYS H 1 24 LYS H 2.600 . 3.000 2.737 2.661 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 23 LYS H 1 24 LYS HB2 2.100 . 5.500 5.476 5.100 6.375 0.875 10 5 "[ . + - . * * .* 3]" 1
586 1 23 LYS H 1 24 LYS HG3 4.500 . 5.500 4.288 3.872 5.235 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 23 LYS H 1 25 GLU H 3.200 . 4.000 4.068 3.936 4.116 0.116 21 0 "[ . 1 . 2 . 3]" 1
588 1 23 LYS H 1 51 LEU QD 3.000 . 4.100 3.465 3.288 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 23 LYS HA 1 23 LYS HB2 2.400 . 3.100 2.905 2.876 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 23 LYS HA 1 23 LYS HD2 2.900 . 4.000 3.652 3.193 4.136 0.136 2 0 "[ . 1 . 2 . 3]" 1
591 1 23 LYS HA 1 23 LYS HD3 3.000 . 4.100 3.939 3.571 4.142 0.042 15 0 "[ . 1 . 2 . 3]" 1
592 1 23 LYS HA 1 23 LYS QG 2.900 . 3.600 2.063 2.021 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 23 LYS HA 1 24 LYS H 3.200 . 4.000 3.543 3.523 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 23 LYS HA 1 25 GLU H 4.000 . 5.000 4.503 4.397 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 23 LYS HA 1 26 ILE H 3.200 . 4.000 3.522 3.427 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 23 LYS HA 1 26 ILE HB 2.000 . 2.500 2.518 2.339 2.572 0.072 22 0 "[ . 1 . 2 . 3]" 1
597 1 23 LYS HA 1 26 ILE MD 2.400 . 3.100 2.053 1.720 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 23 LYS HA 1 26 ILE MG 2.400 . 5.500 3.684 3.495 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 23 LYS HA 1 27 GLN H 4.000 . 5.000 4.627 4.510 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 23 LYS HA 1 39 ILE MD 2.500 . 5.500 3.386 3.092 5.153 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 23 LYS HA 1 51 LEU QD 2.500 . 3.300 3.050 2.808 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 23 LYS HB2 1 23 LYS QE 2.300 . 5.500 3.508 3.050 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 23 LYS HB2 1 24 LYS H 2.500 . 3.300 2.916 2.806 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 23 LYS HB3 1 23 LYS QG 2.000 . 5.500 2.280 2.127 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 23 LYS HB3 1 24 LYS H 2.300 . 3.000 2.914 2.812 3.009 0.009 9 0 "[ . 1 . 2 . 3]" 1
606 1 23 LYS HB3 1 24 LYS HA 2.400 . 5.500 3.871 3.811 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 23 LYS HD2 1 23 LYS QE 2.400 . 3.000 2.294 2.144 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 23 LYS HD2 1 23 LYS QG 2.300 . 3.000 2.331 2.143 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 23 LYS HD3 1 23 LYS QE 2.500 . 3.300 2.286 2.139 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 23 LYS HD3 1 23 LYS QG 3.200 . 4.500 2.344 2.137 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 23 LYS QE 1 23 LYS QG 2.800 . 3.800 2.148 1.899 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 23 LYS QG 1 39 ILE HG13 4.000 . 5.000 4.766 3.426 5.169 0.169 8 0 "[ . 1 . 2 . 3]" 1
613 1 23 LYS QG 1 51 LEU HB3 3.800 . 5.500 4.834 4.395 5.335 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 23 LYS QG 1 51 LEU QD 2.600 . 3.400 2.654 2.063 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 24 LYS H 1 24 LYS HA 2.300 . 3.000 2.836 2.820 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 24 LYS H 1 24 LYS HB2 2.600 . 3.000 2.973 2.679 3.596 0.596 17 5 "[ . * * . + * .- 3]" 1
617 1 24 LYS H 1 24 LYS HB3 3.200 . 4.000 3.389 2.497 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 24 LYS H 1 24 LYS HD2 3.500 . 5.000 4.478 3.369 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 24 LYS H 1 24 LYS HD3 4.000 . 5.000 4.354 2.713 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 24 LYS H 1 24 LYS HG2 2.800 . 3.800 2.426 2.036 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 24 LYS H 1 24 LYS HG3 3.500 . 5.000 2.210 1.695 3.088 0.305 30 0 "[ . 1 . 2 . 3]" 1
622 1 24 LYS H 1 25 GLU H 2.600 . 3.000 2.584 2.447 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 24 LYS H 1 26 ILE H 4.000 . 5.000 3.863 3.785 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 24 LYS H 1 26 ILE MD 4.200 . 5.500 4.726 4.531 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 24 LYS HA 1 24 LYS HG2 3.000 . 4.100 2.966 2.643 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 24 LYS HA 1 24 LYS HG3 3.300 . 4.700 3.600 2.933 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 24 LYS HA 1 25 GLU H 3.200 . 4.000 3.534 3.491 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 24 LYS HA 1 26 ILE H 4.000 . 5.000 4.075 3.967 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 24 LYS HA 1 27 GLN H 2.900 . 4.000 3.548 3.331 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 24 LYS HA 1 27 GLN QG 3.200 . 4.500 2.980 2.527 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 24 LYS HA 1 28 GLU H 4.000 . 5.000 4.826 4.663 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 24 LYS HB2 1 24 LYS QE 4.000 . 5.000 3.011 2.003 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 24 LYS HB2 1 25 GLU H 2.700 . 3.600 2.818 2.564 3.861 0.261 12 0 "[ . 1 . 2 . 3]" 1
634 1 24 LYS HB2 1 26 ILE H 2.700 . 5.500 4.879 4.704 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 24 LYS HB3 1 24 LYS QE 3.000 . 4.100 3.365 2.606 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 24 LYS HB3 1 25 GLU H 3.200 . 4.000 3.922 3.803 4.037 0.037 7 0 "[ . 1 . 2 . 3]" 1
637 1 24 LYS HB3 1 27 GLN QG 2.400 . 5.500 4.869 4.470 5.805 0.305 12 0 "[ . 1 . 2 . 3]" 1
638 1 24 LYS QE 1 24 LYS HG2 3.200 . 4.000 2.936 1.938 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 24 LYS QE 1 24 LYS HG3 . . 3.300 2.261 1.926 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 24 LYS QE 1 25 GLU QG 2.900 . 5.500 4.464 3.933 5.316 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 24 LYS HG3 1 25 GLU H 4.000 . 5.000 3.416 1.940 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 25 GLU H 1 25 GLU HA 2.500 . 3.300 2.843 2.831 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 25 GLU H 1 25 GLU QB 2.300 . 3.000 2.425 2.048 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 25 GLU H 1 25 GLU HG2 2.700 . 3.600 2.826 1.923 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 25 GLU H 1 25 GLU HG3 3.200 . 4.000 2.811 2.022 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 25 GLU H 1 26 ILE H 2.600 . 3.000 2.498 2.424 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 25 GLU H 1 27 GLN H 4.000 . 5.000 4.302 4.027 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 25 GLU HA 1 25 GLU QB 2.100 . 2.700 2.365 2.137 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 25 GLU HA 1 25 GLU HG2 2.400 . 3.100 2.589 2.185 4.035 0.935 30 1 "[ . 1 . 2 . +]" 1
650 1 25 GLU HA 1 25 GLU HG3 3.200 . 4.000 3.508 3.046 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 25 GLU HA 1 26 ILE H 2.900 . 4.000 3.454 3.434 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 25 GLU HA 1 27 GLN H 4.000 . 5.000 4.312 4.106 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 25 GLU HA 1 28 GLU H 2.900 . 4.000 3.391 3.318 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 25 GLU HA 1 28 GLU QG 4.000 . 5.000 2.322 1.820 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 25 GLU HA 1 29 ARG H 4.000 . 5.000 4.459 4.289 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 25 GLU QB 1 26 ILE H 2.300 . 3.000 2.821 2.745 3.124 0.124 30 0 "[ . 1 . 2 . 3]" 1
657 1 25 GLU QB 1 26 ILE HA 3.400 . 4.800 3.928 3.858 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 25 GLU QG 1 26 ILE H 3.300 . 4.700 4.017 2.300 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 25 GLU HG3 1 26 ILE H 4.000 . 5.000 4.513 2.443 5.002 0.002 17 0 "[ . 1 . 2 . 3]" 1
660 1 26 ILE H 1 26 ILE HA 2.600 . 3.400 2.808 2.761 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 26 ILE H 1 26 ILE HB 2.300 . 3.000 2.192 2.117 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 26 ILE H 1 26 ILE MD 3.200 . 4.000 3.289 3.059 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 26 ILE H 1 26 ILE MG 3.200 . 4.000 3.593 3.457 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 26 ILE H 1 27 GLN H 2.600 . 3.000 2.674 2.491 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 26 ILE H 1 28 GLU H 3.200 . 4.000 4.069 3.986 4.130 0.130 28 0 "[ . 1 . 2 . 3]" 1
666 1 26 ILE HA 1 26 ILE HB 2.200 . 5.500 2.966 2.909 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 26 ILE HA 1 26 ILE MD 3.200 . 4.000 3.658 3.254 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 26 ILE HA 1 26 ILE MG 2.600 . 3.000 2.682 2.575 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 26 ILE HA 1 27 GLN H 3.200 . 4.000 3.540 3.493 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 26 ILE HA 1 28 GLU H 4.000 . 5.000 4.274 4.170 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 26 ILE HA 1 29 ARG H 3.200 . 4.000 3.359 3.221 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 26 ILE HA 1 29 ARG HB3 2.600 . 3.400 3.349 3.141 3.434 0.034 3 0 "[ . 1 . 2 . 3]" 1
673 1 26 ILE HA 1 29 ARG HG3 2.900 . 4.000 3.365 2.950 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 26 ILE HA 1 30 ILE H 3.600 . 5.200 4.543 4.342 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 26 ILE HB 1 26 ILE MG 2.000 . 5.500 2.111 2.094 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 26 ILE HB 1 27 GLN H 2.400 . 3.100 2.816 2.693 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 26 ILE HB 1 39 ILE MD 2.200 . 5.500 3.275 3.082 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 26 ILE HB 1 39 ILE MG 2.300 . 5.500 4.753 4.444 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 26 ILE HB 1 53 VAL QG 2.900 . 4.000 3.439 3.342 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 26 ILE MD 1 27 GLN H 4.000 . 5.000 4.571 4.466 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 26 ILE MD 1 51 LEU HG 2.400 . 5.500 3.651 2.333 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 26 ILE MD 1 53 VAL H 2.800 . 5.500 4.581 4.374 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 26 ILE MG 1 27 GLN H 2.600 . 3.400 2.811 2.502 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 26 ILE MG 1 27 GLN HA 2.600 . 3.400 2.978 2.855 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 26 ILE MG 1 27 GLN HE21 4.000 . 5.500 3.527 1.370 4.526 0.630 20 1 "[ . 1 . + . 3]" 1
686 1 26 ILE MG 1 27 GLN QG 3.000 . 4.100 2.997 2.527 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 26 ILE MG 1 28 GLU H 4.000 . 5.000 4.561 4.381 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 26 ILE MG 1 29 ARG H 3.100 . 4.300 4.318 4.252 4.354 0.054 11 0 "[ . 1 . 2 . 3]" 1
689 1 26 ILE MG 1 29 ARG QD 2.700 . 5.500 4.087 3.663 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 26 ILE MG 1 30 ILE H 3.200 . 4.500 4.235 4.108 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 26 ILE MG 1 53 VAL HB 2.800 . 3.700 3.359 3.196 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 27 GLN H 1 27 GLN HA 2.400 . 3.100 2.813 2.787 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 27 GLN H 1 27 GLN HB2 2.300 . 3.000 2.522 2.031 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 27 GLN H 1 27 GLN QG 3.200 . 4.000 2.387 1.836 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 27 GLN H 1 28 GLU H 2.600 . 3.000 2.634 2.559 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 27 GLN H 1 28 GLU QG 3.100 . 4.300 3.953 3.663 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 27 GLN H 1 29 ARG H 3.200 . 4.000 3.941 3.867 4.013 0.013 2 0 "[ . 1 . 2 . 3]" 1
698 1 27 GLN H 1 30 ILE HG13 3.200 . 5.500 5.163 4.903 5.601 0.101 30 0 "[ . 1 . 2 . 3]" 1
699 1 27 GLN H 1 36 LEU QD 3.700 . 5.400 4.719 4.109 5.021 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 27 GLN H 1 39 ILE MD 3.800 . 5.500 4.811 4.590 5.583 0.083 10 0 "[ . 1 . 2 . 3]" 1
701 1 27 GLN HA 1 27 GLN HB3 2.100 . 2.700 2.485 2.354 2.941 0.241 28 0 "[ . 1 . 2 . 3]" 1
702 1 27 GLN HA 1 27 GLN QG 3.000 . 4.100 2.640 2.312 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 27 GLN HA 1 28 GLU H 2.900 . 4.000 3.515 3.485 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 27 GLN HA 1 29 ARG H 4.000 . 5.000 4.070 3.937 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 27 GLN HA 1 30 ILE H 3.200 . 4.000 3.553 3.345 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 27 GLN HA 1 30 ILE HB 2.800 . 3.800 3.516 3.026 3.814 0.014 28 0 "[ . 1 . 2 . 3]" 1
707 1 27 GLN HA 1 30 ILE MD 2.900 . 4.000 3.709 3.313 4.000 0.000 18 0 "[ . 1 . 2 . 3]" 1
708 1 27 GLN HA 1 30 ILE HG13 2.400 . 3.100 2.628 2.346 3.143 0.043 15 0 "[ . 1 . 2 . 3]" 1
709 1 27 GLN HA 1 36 LEU HB3 3.200 . 5.500 4.619 4.143 5.146 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 27 GLN HA 1 36 LEU QD 2.700 . 3.300 2.977 2.520 3.303 0.003 22 0 "[ . 1 . 2 . 3]" 1
711 1 27 GLN HA 1 39 ILE MD 3.600 . 5.200 5.087 4.749 5.230 0.030 9 0 "[ . 1 . 2 . 3]" 1
712 1 27 GLN HB2 1 27 GLN QE 4.000 . 5.000 4.039 3.382 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 27 GLN HB2 1 28 GLU H 2.300 . 3.000 2.786 2.628 3.345 0.345 28 0 "[ . 1 . 2 . 3]" 1
714 1 27 GLN HB2 1 29 ARG H 4.000 . 5.000 4.895 4.788 5.198 0.198 28 0 "[ . 1 . 2 . 3]" 1
715 1 27 GLN HB3 1 27 GLN HE21 3.900 . 5.500 3.664 2.255 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 27 GLN HB3 1 27 GLN HE22 4.400 . 5.500 4.215 3.345 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 27 GLN HB3 1 36 LEU QD 2.000 . 5.500 3.733 2.571 4.948 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 27 GLN HE21 1 27 GLN QG 2.900 . 4.000 2.197 2.082 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 27 GLN HE21 1 36 LEU QD 3.400 . 4.800 2.427 1.739 4.644 0.261 25 0 "[ . 1 . 2 . 3]" 1
720 1 27 GLN HE21 1 39 ILE MD 3.700 . 5.400 4.115 2.882 5.424 0.024 7 0 "[ . 1 . 2 . 3]" 1
721 1 27 GLN HE22 1 30 ILE HG13 3.700 . 5.400 5.075 2.851 6.096 0.696 18 3 "[ -. 1* . + 2 . 3]" 1
722 1 27 GLN QG 1 28 GLU H 4.000 . 5.000 4.030 3.811 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 27 GLN QG 1 36 LEU QD 2.700 . 3.600 3.186 2.433 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 27 GLN QG 1 39 ILE MD 2.800 . 5.500 4.178 3.730 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 28 GLU H 1 28 GLU HA 2.900 . 4.000 2.871 2.854 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 28 GLU H 1 28 GLU QB 2.100 . 2.700 2.564 2.426 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 28 GLU H 1 28 GLU QG 2.500 . 3.300 2.059 1.789 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 28 GLU H 1 30 ILE H 3.200 . 4.000 3.951 3.826 4.039 0.039 7 0 "[ . 1 . 2 . 3]" 1
729 1 28 GLU HA 1 28 GLU QB 2.300 . 3.000 2.221 2.156 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 28 GLU HA 1 28 GLU QG 3.200 . 4.000 3.105 2.586 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 28 GLU HA 1 29 ARG H 4.000 . 5.000 3.438 3.413 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 28 GLU HA 1 30 ILE H 4.000 . 5.000 3.903 3.781 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 28 GLU QB 1 29 ARG H 3.200 . 4.000 3.315 2.939 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 28 GLU QB 1 29 ARG HA 2.900 . 5.500 4.239 3.927 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 28 GLU QB 1 30 ILE H 4.000 . 5.500 4.784 4.642 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 28 GLU QG 1 29 ARG H 3.200 . 4.000 3.151 2.276 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 29 ARG H 1 29 ARG HA 2.400 . 3.100 2.904 2.896 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 29 ARG H 1 29 ARG HB2 2.700 . 3.600 3.635 3.613 3.651 0.051 25 0 "[ . 1 . 2 . 3]" 1
739 1 29 ARG H 1 29 ARG HB3 2.400 . 3.100 2.488 2.398 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 29 ARG H 1 29 ARG HG2 2.600 . 3.400 2.655 2.332 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 29 ARG H 1 29 ARG HG3 3.200 . 4.000 3.289 2.809 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 29 ARG H 1 30 ILE H 2.600 . 3.000 2.332 2.258 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 29 ARG H 1 30 ILE HA 2.200 . 5.500 4.825 4.777 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 29 ARG H 1 30 ILE HB 3.400 . 4.800 4.612 4.401 4.815 0.015 17 0 "[ . 1 . 2 . 3]" 1
745 1 29 ARG H 1 30 ILE HG13 3.600 . 5.200 5.287 5.197 5.684 0.484 15 0 "[ . 1 . 2 . 3]" 1
746 1 29 ARG HA 1 29 ARG HB2 2.300 . 3.000 2.319 2.272 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 29 ARG HA 1 29 ARG HB3 2.300 . 3.000 2.585 2.534 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 29 ARG HA 1 29 ARG QD 3.200 . 4.500 4.173 3.966 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 29 ARG HA 1 29 ARG HG2 3.200 . 4.000 3.959 3.810 4.113 0.113 25 0 "[ . 1 . 2 . 3]" 1
750 1 29 ARG HA 1 29 ARG HG3 2.800 . 3.700 3.555 3.494 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 29 ARG HA 1 30 ILE H 3.000 . 4.100 3.374 3.335 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 29 ARG HB2 1 29 ARG QD 2.700 . 3.600 2.165 1.935 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 29 ARG HB2 1 30 ILE HA 2.000 . 5.500 5.087 4.948 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 29 ARG HB2 1 70 SER QB 2.500 . 5.500 3.818 3.203 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 29 ARG HB2 1 74 ILE MD 2.000 . 2.500 1.704 1.511 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 29 ARG HB2 1 75 GLU H 3.500 . 5.000 4.934 4.678 5.065 0.065 29 0 "[ . 1 . 2 . 3]" 1
757 1 29 ARG HB3 1 29 ARG QD 3.300 . 4.300 2.779 2.434 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 29 ARG HB3 1 30 ILE H 3.500 . 5.000 4.076 3.954 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 29 ARG HB3 1 74 ILE HA 2.700 . 5.500 5.452 5.177 5.535 0.035 18 0 "[ . 1 . 2 . 3]" 1
760 1 29 ARG HB3 1 75 GLU H 2.300 . 5.500 5.211 4.977 5.432 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 29 ARG QD 1 30 ILE H 3.100 . 5.500 4.850 4.672 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 29 ARG QD 1 71 LEU QD 3.500 . 5.000 3.547 3.147 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 29 ARG QD 1 74 ILE MD 3.800 . 5.500 1.644 1.467 1.805 0.533 12 2 "[- . 1 + . 2 . 3]" 1
764 1 29 ARG QD 1 74 ILE MG 3.500 . 5.000 4.155 3.937 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 29 ARG QD 1 75 GLU QB 4.300 . 5.500 4.570 4.244 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 29 ARG HG2 1 30 ILE H 3.200 . 4.500 3.453 3.071 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 29 ARG HG3 1 30 ILE H 3.200 . 4.000 3.013 2.562 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 29 ARG HG3 1 30 ILE HA 2.400 . 3.100 3.148 2.983 3.221 0.121 21 0 "[ . 1 . 2 . 3]" 1
769 1 29 ARG QH1 1 53 VAL QG 10.000 10.000 20.000 3.884 1.597 5.887 8.403 3 30 [*-+***************************] 1
770 1 29 ARG QH2 1 53 VAL QG 10.000 10.000 20.000 3.421 1.497 5.642 8.503 15 30 [************-*+***************] 1
771 1 30 ILE H 1 30 ILE HA 2.500 . 3.300 2.802 2.783 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 30 ILE H 1 30 ILE HB 2.200 . 2.800 2.469 2.350 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 30 ILE H 1 30 ILE MD 2.800 . 3.800 3.454 2.903 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 30 ILE H 1 30 ILE HG13 3.200 . 4.000 3.613 3.506 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 30 ILE H 1 30 ILE MG 3.200 . 4.000 3.763 3.726 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 30 ILE H 1 31 PRO HD2 4.200 . 5.500 4.687 4.644 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 30 ILE HA 1 30 ILE HB 2.300 . 3.000 3.015 3.006 3.023 0.023 11 0 "[ . 1 . 2 . 3]" 1
778 1 30 ILE HA 1 30 ILE MD 2.100 . 2.700 1.977 1.688 2.108 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 30 ILE HA 1 30 ILE MG 2.300 . 3.000 2.499 2.408 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 30 ILE HA 1 31 PRO HD2 2.200 . 2.800 2.015 1.958 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 30 ILE HA 1 31 PRO HD3 2.300 . 3.000 2.613 2.510 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 30 ILE HA 1 31 PRO HG3 2.600 . 5.500 4.475 4.454 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 30 ILE HA 1 67 ALA HA 2.600 . 5.500 4.919 4.579 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 30 ILE HA 1 67 ALA MB 3.100 . 4.300 4.200 3.924 4.323 0.023 27 0 "[ . 1 . 2 . 3]" 1
785 1 30 ILE HB 1 30 ILE MD 3.200 . 4.000 3.227 3.219 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 30 ILE HB 1 30 ILE MG 1.900 . 2.400 2.088 2.082 2.104 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 30 ILE HB 1 31 PRO HD2 3.100 . 4.300 4.008 3.946 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 30 ILE MD 1 30 ILE HG13 2.200 . 2.800 2.101 2.072 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 30 ILE MD 1 30 ILE MG 2.000 . 5.500 1.948 1.723 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 30 ILE MD 1 31 PRO HD2 2.900 . 4.000 2.402 2.013 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 30 ILE MD 1 31 PRO HD3 3.400 . 4.800 3.529 3.278 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 30 ILE MD 1 36 LEU H 3.000 . 4.100 3.976 3.749 4.119 0.019 8 0 "[ . 1 . 2 . 3]" 1
793 1 30 ILE MD 1 36 LEU HA 2.700 . 3.600 2.841 2.573 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 30 ILE MD 1 55 VAL MG1 2.000 . 5.500 2.417 1.988 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 30 ILE HG13 1 30 ILE MG 2.200 . 5.500 2.433 2.216 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 30 ILE HG13 1 35 GLU HA 2.300 . 5.500 5.037 4.116 5.518 0.018 19 0 "[ . 1 . 2 . 3]" 1
797 1 30 ILE MG 1 31 PRO HA 3.100 . 4.300 3.963 3.877 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 30 ILE MG 1 31 PRO HB3 3.100 . 4.300 4.365 4.311 4.527 0.227 17 0 "[ . 1 . 2 . 3]" 1
799 1 30 ILE MG 1 31 PRO HD2 2.500 . 3.300 1.896 1.703 1.969 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 30 ILE MG 1 31 PRO HD3 2.700 . 5.500 3.251 3.161 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 30 ILE MG 1 34 THR HB 2.200 . 5.500 4.593 4.105 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 30 ILE MG 1 35 GLU HA 2.700 . 3.600 2.684 1.993 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 30 ILE MG 1 36 LEU HA 2.300 . 3.000 3.038 3.008 3.070 0.070 28 0 "[ . 1 . 2 . 3]" 1
804 1 30 ILE MG 1 64 THR HB 3.500 . 5.500 5.541 5.523 5.559 0.059 21 0 "[ . 1 . 2 . 3]" 1
805 1 30 ILE MG 1 66 ALA MB 3.700 . 5.400 5.412 5.105 5.461 0.061 23 0 "[ . 1 . 2 . 3]" 1
806 1 31 PRO HA 1 31 PRO HB3 2.100 . 2.700 2.263 2.252 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 31 PRO HA 1 31 PRO HD2 4.000 . 5.000 4.038 4.002 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 31 PRO HA 1 31 PRO HD3 4.100 . 5.500 3.270 3.179 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 31 PRO HA 1 31 PRO HG2 3.200 . 4.000 3.877 3.848 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 31 PRO HA 1 31 PRO HG3 2.900 . 4.000 3.918 3.830 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 31 PRO HA 1 32 GLU H 2.000 . 2.500 2.138 2.101 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 31 PRO HA 1 32 GLU HA 3.300 . 4.600 4.405 4.355 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 31 PRO HA 1 32 GLU HB2 4.100 . 5.500 4.288 4.111 5.438 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 31 PRO HA 1 64 THR HA 3.200 . 4.500 4.078 3.833 4.520 0.020 12 0 "[ . 1 . 2 . 3]" 1
815 1 31 PRO HA 1 67 ALA HA 3.000 . 4.100 2.922 2.772 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 31 PRO HB2 1 31 PRO HD3 2.800 . 3.800 3.859 3.847 3.880 0.080 8 0 "[ . 1 . 2 . 3]" 1
817 1 31 PRO HB2 1 33 GLY H 3.100 . 4.300 2.488 2.271 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 31 PRO HB2 1 34 THR H 3.400 . 4.800 2.917 2.625 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 31 PRO HB2 1 64 THR HA 2.900 . 4.000 2.186 1.898 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 31 PRO HB2 1 64 THR HB 3.200 . 4.500 2.600 2.306 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 31 PRO HB2 1 66 ALA MB 2.800 . 5.500 3.762 2.977 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 31 PRO HB2 1 67 ALA MB 2.800 . 3.800 3.348 3.212 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 31 PRO HB3 1 31 PRO HD3 3.100 . 4.300 2.955 2.912 3.061 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 31 PRO HB3 1 31 PRO HG2 2.500 . 3.300 2.981 2.961 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 31 PRO HB3 1 64 THR HB 2.400 . 3.100 3.017 2.639 3.722 0.622 26 4 "[ . 1-* . * 2 .+ 3]" 1
826 1 31 PRO HB3 1 66 ALA MB 3.000 . 4.100 3.590 3.033 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 31 PRO HB3 1 67 ALA H 2.400 . 3.100 2.391 1.772 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 31 PRO HD2 1 31 PRO HG2 2.500 . 3.300 2.326 2.315 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 31 PRO HD2 1 55 VAL MG1 3.000 . 4.100 2.839 2.534 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 31 PRO HD3 1 31 PRO HG3 2.400 . 3.100 2.324 2.309 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 31 PRO HD3 1 67 ALA HA 3.100 . 4.300 3.355 2.942 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 31 PRO HD3 1 67 ALA MB 3.000 . 4.100 2.030 1.882 2.321 0.018 17 0 "[ . 1 . 2 . 3]" 1
833 1 31 PRO HG2 1 32 GLU H 2.500 . 5.500 5.211 5.021 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 31 PRO HG2 1 57 VAL MG1 2.100 . 5.500 4.215 3.505 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 31 PRO HG2 1 64 THR HA 2.500 . 5.500 4.302 3.690 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 31 PRO HG2 1 64 THR MG 3.800 . 5.500 4.275 3.976 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 31 PRO HG3 1 64 THR HA 2.000 . 5.500 4.326 3.826 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 31 PRO HG3 1 64 THR HB 2.400 . 5.500 3.154 2.896 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 31 PRO HG3 1 67 ALA H 2.700 . 5.500 4.475 3.820 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 31 PRO HG3 1 67 ALA MB 2.800 . 3.800 2.533 1.962 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 32 GLU H 1 32 GLU HA 2.500 . 3.300 2.792 2.774 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 32 GLU H 1 32 GLU HB2 2.500 . 3.300 2.207 2.040 3.338 0.038 23 0 "[ . 1 . 2 . 3]" 1
843 1 32 GLU H 1 32 GLU HB3 3.200 . 4.000 3.285 2.014 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 32 GLU H 1 32 GLU HG3 3.200 . 4.000 3.522 2.230 4.333 0.333 9 0 "[ . 1 . 2 . 3]" 1
845 1 32 GLU H 1 33 GLY H 3.200 . 4.000 2.840 2.766 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 32 GLU H 1 66 ALA MB 2.700 . 3.600 1.959 1.797 2.282 0.003 15 0 "[ . 1 . 2 . 3]" 1
847 1 32 GLU H 1 67 ALA H 2.400 . 5.500 4.237 3.870 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 32 GLU HA 1 32 GLU HB2 2.400 . 3.100 2.858 2.223 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 32 GLU HA 1 32 GLU HB3 2.200 . 2.800 2.763 2.480 2.950 0.150 24 0 "[ . 1 . 2 . 3]" 1
850 1 32 GLU HA 1 32 GLU HG2 2.400 . 3.100 2.597 2.017 3.819 0.719 9 4 "[ -. +1 . * 2 . * 3]" 1
851 1 32 GLU HA 1 32 GLU HG3 3.200 . 4.000 2.888 2.171 4.054 0.054 23 0 "[ . 1 . 2 . 3]" 1
852 1 32 GLU HA 1 33 GLY H 3.200 . 4.000 3.293 3.254 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 32 GLU HA 1 34 THR H 4.000 . 5.000 4.595 4.195 5.025 0.025 22 0 "[ . 1 . 2 . 3]" 1
854 1 32 GLU HB2 1 33 GLY H 3.600 . 5.200 3.829 3.480 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 32 GLU HB3 1 33 GLY HA2 2.300 . 5.500 4.306 4.094 5.477 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 32 GLU HB3 1 66 ALA MB 2.700 . 3.600 3.286 2.132 3.611 0.011 17 0 "[ . 1 . 2 . 3]" 1
857 1 32 GLU HG2 1 33 GLY H 3.000 . 5.500 5.137 3.531 5.817 0.317 16 0 "[ . 1 . 2 . 3]" 1
858 1 33 GLY H 1 33 GLY HA2 2.500 . 3.300 2.885 2.870 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 33 GLY H 1 33 GLY HA3 2.300 . 3.000 2.320 2.312 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 33 GLY H 1 34 THR H 2.600 . 3.000 2.584 2.450 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 33 GLY HA2 1 34 THR H 2.700 . 3.600 3.558 3.529 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 33 GLY HA2 1 61 GLU HG3 3.400 . 4.800 4.694 4.461 4.815 0.015 9 0 "[ . 1 . 2 . 3]" 1
863 1 33 GLY HA2 1 64 THR H 3.300 . 5.500 4.694 4.363 5.235 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 33 GLY HA3 1 34 THR H 2.600 . 3.000 2.724 2.533 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 34 THR H 1 34 THR HA 2.600 . 3.400 2.943 2.938 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 34 THR H 1 34 THR HB 3.200 . 4.000 3.048 2.886 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 34 THR H 1 34 THR MG 3.200 . 4.000 3.892 3.810 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 34 THR H 1 35 GLU H 3.000 . 4.100 4.025 3.874 4.122 0.022 2 0 "[ . 1 . 2 . 3]" 1
869 1 34 THR H 1 64 THR MG 2.700 . 3.600 3.163 2.668 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 34 THR HA 1 34 THR HB 2.300 . 3.000 2.959 2.913 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 34 THR HA 1 34 THR MG 2.200 . 2.800 2.120 2.010 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 34 THR HA 1 35 GLU H 2.900 . 4.000 3.074 2.979 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 34 THR HB 1 34 THR MG 2.100 . 2.700 2.091 2.070 2.116 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 34 THR HB 1 35 GLU H 2.500 . 3.300 1.762 1.687 1.863 0.013 22 0 "[ . 1 . 2 . 3]" 1
875 1 34 THR HB 1 35 GLU QB 4.000 . 5.500 4.362 4.139 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 34 THR HB 1 55 VAL HB 3.200 . 4.500 3.959 3.657 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 34 THR HB 1 55 VAL MG2 3.200 . 4.500 4.103 3.745 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 34 THR HB 1 57 VAL HB 3.500 . 5.000 4.260 3.579 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 34 THR HB 1 57 VAL MG1 4.500 . 5.500 2.223 1.961 2.409 0.039 22 0 "[ . 1 . 2 . 3]" 1
880 1 34 THR HB 1 57 VAL MG2 2.600 . 5.500 4.841 4.539 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 34 THR HB 1 60 ALA MB 3.000 . 4.100 3.984 3.768 4.131 0.031 9 0 "[ . 1 . 2 . 3]" 1
882 1 34 THR HB 1 64 THR MG 3.200 . 4.500 3.595 3.334 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 34 THR MG 1 35 GLU H 2.600 . 3.000 2.026 1.836 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 34 THR MG 1 35 GLU QB 2.900 . 4.000 3.567 3.092 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 34 THR MG 1 35 GLU QG 2.900 . 4.000 3.309 2.241 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 34 THR MG 1 55 VAL HB 2.100 . 5.500 4.789 4.457 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 34 THR MG 1 56 VAL H 3.400 . 4.800 4.575 4.293 4.822 0.022 15 0 "[ . 1 . 2 . 3]" 1
888 1 34 THR MG 1 57 VAL HA 2.600 . 3.400 2.131 1.931 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 34 THR MG 1 57 VAL HB 3.000 . 4.100 2.826 2.124 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 34 THR MG 1 58 GLY HA2 3.100 . 5.500 5.515 5.437 5.564 0.064 19 0 "[ . 1 . 2 . 3]" 1
891 1 34 THR MG 1 59 ASP H 2.800 . 5.500 4.667 4.355 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 34 THR MG 1 60 ALA HA 3.200 . 4.500 3.967 3.814 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 34 THR MG 1 60 ALA MB 2.500 . 5.500 1.873 1.616 1.985 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 35 GLU H 1 35 GLU HA 2.900 . 4.000 2.936 2.926 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 35 GLU H 1 35 GLU QB 2.600 . 3.400 2.776 2.539 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 35 GLU H 1 35 GLU QG 4.000 . 5.000 2.902 2.016 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 35 GLU H 1 36 LEU H 3.500 . 5.000 4.421 4.387 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 35 GLU H 1 55 VAL HA 4.000 . 5.500 5.431 5.220 5.528 0.028 22 0 "[ . 1 . 2 . 3]" 1
899 1 35 GLU H 1 55 VAL HB 4.000 . 5.000 4.178 3.885 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 35 GLU H 1 56 VAL H 4.000 . 5.000 4.386 4.083 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 35 GLU H 1 57 VAL HA 4.000 . 5.000 4.549 4.386 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 35 GLU HA 1 35 GLU QB 2.500 . 2.700 2.328 2.174 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 35 GLU HA 1 35 GLU QG 2.800 . 3.800 2.694 2.157 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 35 GLU HA 1 36 LEU H 1.900 . 2.400 2.449 2.396 2.509 0.109 20 0 "[ . 1 . 2 . 3]" 1
905 1 35 GLU HA 1 36 LEU HB3 2.800 . 5.500 4.752 4.377 5.216 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 35 GLU HA 1 55 VAL HB 3.000 . 5.500 4.991 4.768 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 35 GLU QB 1 36 LEU H 2.500 . 3.300 2.275 2.125 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 35 GLU QB 1 36 LEU QD 1.800 . 5.500 3.021 2.258 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 35 GLU QG 1 36 LEU H 3.200 . 4.500 3.710 2.828 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 36 LEU H 1 36 LEU HA 2.700 . 3.600 2.857 2.848 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 36 LEU H 1 36 LEU HB2 2.000 . 5.500 3.545 3.365 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 36 LEU H 1 36 LEU HB3 2.100 . 5.500 2.828 2.429 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 36 LEU H 1 36 LEU QD 3.200 . 4.000 2.057 1.650 2.614 0.150 20 0 "[ . 1 . 2 . 3]" 1
914 1 36 LEU HA 1 36 LEU HB2 2.800 . 3.800 2.540 2.334 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 36 LEU HA 1 36 LEU QD 2.100 . 5.500 3.319 2.897 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 36 LEU HA 1 37 HIS H 2.100 . 2.700 2.639 2.574 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 36 LEU HA 1 37 HIS HB2 3.200 . 4.500 4.280 4.216 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 36 LEU HA 1 55 VAL HA 2.300 . 3.000 2.294 1.973 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 36 LEU HA 1 55 VAL HB 3.000 . 4.100 2.853 2.574 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 36 LEU HA 1 55 VAL MG1 2.000 . 2.500 2.223 2.025 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 36 LEU HA 1 55 VAL MG2 3.100 . 4.300 4.281 4.088 4.337 0.037 27 0 "[ . 1 . 2 . 3]" 1
922 1 36 LEU HA 1 56 VAL H 2.800 . 3.800 3.565 3.071 3.807 0.007 28 0 "[ . 1 . 2 . 3]" 1
923 1 36 LEU HB2 1 37 HIS H 3.100 . 4.300 2.008 1.884 2.160 0.016 7 0 "[ . 1 . 2 . 3]" 1
924 1 36 LEU HB2 1 55 VAL HA 3.100 . 4.300 3.999 3.512 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 36 LEU HB3 1 36 LEU QD 2.200 . 2.400 2.026 1.871 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 36 LEU HB3 1 37 HIS H 2.700 . 3.600 3.340 2.897 3.638 0.038 26 0 "[ . 1 . 2 . 3]" 1
927 1 37 HIS H 1 37 HIS HA 2.400 . 3.100 2.941 2.937 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 37 HIS H 1 37 HIS HB2 2.400 . 3.100 3.144 3.120 3.167 0.067 5 0 "[ . 1 . 2 . 3]" 1
929 1 37 HIS H 1 37 HIS HB3 2.500 . 3.300 2.684 2.622 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 37 HIS H 1 38 LYS H 3.200 . 4.000 2.612 2.457 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 37 HIS H 1 53 VAL QG 2.800 . 3.800 3.382 3.232 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 37 HIS H 1 54 MET H 4.000 . 5.000 4.125 3.828 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 37 HIS H 1 55 VAL HA 2.200 . 2.800 2.750 2.615 2.804 0.004 18 0 "[ . 1 . 2 . 3]" 1
934 1 37 HIS HA 1 37 HIS HB2 2.600 . 3.400 2.462 2.434 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 37 HIS HA 1 37 HIS HB3 2.300 . 3.000 3.023 3.022 3.025 0.025 4 0 "[ . 1 . 2 . 3]" 1
936 1 37 HIS HA 1 37 HIS HD2 3.400 . 4.800 4.463 4.279 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 37 HIS HA 1 38 LYS H 2.800 . 3.800 3.517 3.508 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 37 HIS HA 1 38 LYS HA 3.300 . 4.700 4.723 4.703 4.735 0.035 10 0 "[ . 1 . 2 . 3]" 1
939 1 37 HIS HA 1 55 VAL HA 3.200 . 4.000 3.812 3.695 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 37 HIS HB2 1 37 HIS HD2 3.200 . 4.000 3.806 3.724 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 37 HIS HB2 1 37 HIS HE1 4.000 . 5.000 4.768 4.731 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 37 HIS HB2 1 38 LYS H 2.500 . 3.300 3.388 3.361 3.414 0.114 9 0 "[ . 1 . 2 . 3]" 1
943 1 37 HIS HB2 1 54 MET HB2 2.800 . 3.800 3.692 3.502 3.823 0.023 17 0 "[ . 1 . 2 . 3]" 1
944 1 37 HIS HB2 1 56 VAL QG 2.800 . 3.800 2.013 1.795 2.547 0.005 25 0 "[ . 1 . 2 . 3]" 1
945 1 37 HIS HB3 1 37 HIS HD2 2.900 . 4.000 2.699 2.661 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 37 HIS HB3 1 38 LYS H 2.600 . 3.000 1.814 1.773 1.860 0.027 10 0 "[ . 1 . 2 . 3]" 1
947 1 37 HIS HB3 1 38 LYS HA 3.300 . 4.700 4.548 4.522 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 37 HIS HB3 1 54 MET HB2 3.400 . 4.800 2.115 1.983 2.301 0.017 27 0 "[ . 1 . 2 . 3]" 1
949 1 37 HIS HB3 1 56 VAL QG 2.400 . 5.500 3.402 3.252 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 37 HIS HD2 1 38 LYS H 3.300 . 4.700 2.794 2.650 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 37 HIS HD2 1 38 LYS HA 3.800 . 5.500 4.450 4.171 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 37 HIS HD2 1 38 LYS HB2 2.900 . 4.000 3.144 1.712 4.023 0.088 29 0 "[ . 1 . 2 . 3]" 1
953 1 37 HIS HD2 1 38 LYS HD3 3.500 . 5.500 5.373 5.148 5.502 0.002 15 0 "[ . 1 . 2 . 3]" 1
954 1 37 HIS HD2 1 38 LYS QG 2.500 . 3.300 3.053 2.796 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 37 HIS HD2 1 54 MET HB2 2.600 . 3.400 2.458 2.171 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 37 HIS HD2 1 54 MET HB3 2.500 . 3.300 3.314 3.258 3.339 0.039 6 0 "[ . 1 . 2 . 3]" 1
957 1 37 HIS HD2 1 54 MET ME 2.800 . 5.500 4.553 4.082 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 37 HIS HD2 1 54 MET HG2 4.100 . 5.500 4.452 3.947 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 37 HIS HD2 1 54 MET HG3 4.300 . 5.500 4.681 4.089 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 37 HIS HD2 1 56 VAL QG 3.400 . 4.800 4.447 4.225 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 37 HIS HE1 1 56 VAL QG 2.700 . 3.600 3.003 2.473 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 38 LYS H 1 38 LYS HA 2.300 . 3.000 2.871 2.853 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 38 LYS H 1 38 LYS HB2 2.800 . 3.800 3.452 2.809 3.904 0.104 19 0 "[ . 1 . 2 . 3]" 1
964 1 38 LYS H 1 38 LYS HB3 2.700 . 3.600 3.271 2.875 3.863 0.263 10 0 "[ . 1 . 2 . 3]" 1
965 1 38 LYS H 1 38 LYS HD2 4.500 . 5.500 5.023 4.676 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 38 LYS H 1 38 LYS HD3 4.000 . 5.000 5.096 4.440 5.468 0.468 14 0 "[ . 1 . 2 . 3]" 1
967 1 38 LYS H 1 38 LYS QG 2.800 . 3.800 3.584 3.384 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 38 LYS H 1 39 ILE H 3.200 . 4.500 4.105 4.033 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 38 LYS H 1 54 MET H 2.900 . 4.000 2.895 2.766 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 38 LYS H 1 54 MET HB2 2.400 . 3.100 2.272 1.973 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 38 LYS H 1 54 MET HB3 3.200 . 4.000 3.692 3.374 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 38 LYS H 1 54 MET QG 4.000 . 5.000 4.314 3.982 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 38 LYS H 1 55 VAL H 4.400 . 5.500 4.815 4.622 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 38 LYS H 1 55 VAL HA 4.000 . 5.500 4.374 4.184 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 38 LYS HA 1 38 LYS HB2 2.400 . 3.100 2.548 2.228 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 38 LYS HA 1 38 LYS HB3 2.300 . 3.000 2.775 2.563 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 38 LYS HA 1 38 LYS HD2 2.700 . 3.600 3.005 2.085 3.635 0.035 12 0 "[ . 1 . 2 . 3]" 1
978 1 38 LYS HA 1 38 LYS HD3 3.200 . 4.000 2.937 1.935 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 38 LYS HA 1 38 LYS QG 2.800 . 3.700 3.101 2.721 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 38 LYS HA 1 39 ILE H 1.900 . 2.400 2.171 2.148 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 38 LYS HA 1 39 ILE HB 3.200 . 5.500 4.864 4.826 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 38 LYS HB2 1 39 ILE H 2.300 . 5.500 3.970 3.592 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 38 LYS HB3 1 39 ILE H 2.400 . 5.500 3.991 3.108 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 38 LYS HD2 1 39 ILE H 2.700 . 3.600 2.932 2.424 3.604 0.004 6 0 "[ . 1 . 2 . 3]" 1
985 1 38 LYS QE 1 38 LYS QG 2.600 . 3.400 2.139 1.915 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 39 ILE H 1 39 ILE HA 2.700 . 3.600 2.906 2.896 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 39 ILE H 1 39 ILE HB 2.100 . 2.700 2.719 2.700 2.784 0.084 10 0 "[ . 1 . 2 . 3]" 1
988 1 39 ILE H 1 39 ILE HG13 3.200 . 4.000 2.222 2.095 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 39 ILE H 1 39 ILE MG 3.200 . 4.000 3.803 3.787 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 39 ILE H 1 40 ASP H 3.500 . 5.000 4.584 4.568 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 39 ILE HA 1 39 ILE HB 2.500 . 3.300 2.998 2.982 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 39 ILE HA 1 39 ILE MD 2.800 . 3.700 3.689 2.215 3.760 0.060 22 0 "[ . 1 . 2 . 3]" 1
993 1 39 ILE HA 1 39 ILE HG13 2.600 . 3.400 3.430 3.391 3.736 0.336 10 0 "[ . 1 . 2 . 3]" 1
994 1 39 ILE HA 1 39 ILE MG 2.100 . 2.700 2.199 2.136 2.254 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 39 ILE HA 1 40 ASP H 2.000 . 2.500 2.337 2.297 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 39 ILE HA 1 53 VAL HA 2.400 . 3.100 2.109 2.004 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 39 ILE HA 1 54 MET H 2.800 . 3.800 2.933 2.842 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 39 ILE HB 1 39 ILE MD 1.900 . 5.500 2.569 2.520 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 39 ILE HB 1 53 VAL HA 2.600 . 5.500 4.356 4.291 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 39 ILE MD 1 39 ILE MG 1.700 . 5.500 1.844 1.757 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 39 ILE MD 1 51 LEU HG 2.600 . 5.500 4.787 4.259 5.528 0.028 10 0 "[ . 1 . 2 . 3]" 1
1002 1 39 ILE MD 1 53 VAL H 4.000 . 5.000 4.551 3.720 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 39 ILE MD 1 53 VAL HA 2.800 . 3.800 3.339 1.760 3.487 0.040 10 0 "[ . 1 . 2 . 3]" 1
1004 1 39 ILE MD 1 53 VAL HB 2.900 . 3.900 3.923 3.411 3.955 0.055 14 0 "[ . 1 . 2 . 3]" 1
1005 1 39 ILE MD 1 53 VAL QG 2.500 . 5.500 1.510 1.418 1.676 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 39 ILE QG 1 53 VAL H 4.000 . 5.000 4.657 4.531 5.232 0.232 10 0 "[ . 1 . 2 . 3]" 1
1007 1 39 ILE MG 1 40 ASP H 2.400 . 3.100 1.899 1.752 2.032 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 39 ILE MG 1 40 ASP HA 2.300 . 5.500 3.817 3.736 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 39 ILE MG 1 51 LEU HB3 1.700 . 5.500 1.887 1.697 2.030 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 39 ILE MG 1 52 ASN HA 3.200 . 4.000 3.858 3.681 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 39 ILE MG 1 53 VAL H 2.800 . 3.800 3.030 2.916 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 39 ILE MG 1 53 VAL HA 2.500 . 3.300 2.393 2.361 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 39 ILE MG 1 54 MET H 3.000 . 4.100 4.143 4.116 4.172 0.072 14 0 "[ . 1 . 2 . 3]" 1
1014 1 40 ASP H 1 40 ASP HA 2.500 . 3.300 2.947 2.943 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 40 ASP H 1 40 ASP QB 2.700 . 3.100 2.484 2.440 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 40 ASP H 1 41 GLU H 4.000 . 5.000 4.291 4.199 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 40 ASP H 1 52 ASN H 2.900 . 4.000 2.233 2.049 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 40 ASP H 1 52 ASN QB 4.000 . 4.800 2.971 2.805 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 40 ASP H 1 53 VAL HA 3.400 . 4.800 3.775 3.683 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 40 ASP H 1 53 VAL QG 4.000 . 4.300 3.810 3.663 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 40 ASP HA 1 40 ASP QB 2.600 . 3.000 2.485 2.375 2.525 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 40 ASP HA 1 41 GLU H 1.900 . 2.400 2.160 2.145 2.172 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 40 ASP HA 1 41 GLU QG 2.800 . 3.800 3.556 3.267 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 40 ASP HA 1 52 ASN QB 3.200 . 4.500 4.385 4.248 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 40 ASP HA 1 54 MET ME 2.900 . 5.500 5.050 4.228 5.512 0.012 13 0 "[ . 1 . 2 . 3]" 1
1026 1 40 ASP QB 1 41 GLU H 4.000 . 5.000 3.549 3.224 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 40 ASP QB 1 51 LEU HA 4.000 . 4.000 3.912 3.868 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 40 ASP QB 1 52 ASN H 4.000 . 5.000 2.453 2.228 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 40 ASP QB 1 52 ASN QB 3.400 . 4.800 1.858 1.695 1.955 0.305 27 0 "[ . 1 . 2 . 3]" 1
1030 1 40 ASP QB 1 52 ASN HD22 3.700 . 5.400 3.721 2.779 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 40 ASP QB 1 54 MET ME 2.700 . 5.500 3.099 2.245 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 41 GLU H 1 41 GLU HA 2.900 . 4.000 2.905 2.888 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 41 GLU H 1 41 GLU QB 2.300 . 3.000 2.677 2.510 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 41 GLU H 1 41 GLU QG . . 3.100 2.080 1.703 2.517 0.097 14 0 "[ . 1 . 2 . 3]" 1
1035 1 41 GLU H 1 42 GLU H 3.700 . 5.400 3.750 3.598 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 41 GLU H 1 42 GLU QG 2.700 . 5.500 5.056 4.869 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 41 GLU HA 1 41 GLU QB 2.100 . 2.700 2.261 2.169 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 41 GLU HA 1 41 GLU QG 2.700 . 3.600 2.804 2.524 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 41 GLU HA 1 42 GLU H 2.600 . 3.000 2.417 2.374 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 41 GLU HA 1 49 VAL HB 2.400 . 5.500 5.405 5.227 5.544 0.044 18 0 "[ . 1 . 2 . 3]" 1
1041 1 41 GLU HA 1 49 VAL MG1 2.700 . 3.600 2.888 2.752 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 41 GLU HA 1 51 LEU HA 2.600 . 3.000 2.978 2.796 3.066 0.066 14 0 "[ . 1 . 2 . 3]" 1
1043 1 41 GLU HA 1 51 LEU QD 3.200 . 4.000 2.655 2.164 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 41 GLU HA 1 51 LEU HG 3.500 . 5.000 3.685 2.742 5.080 0.080 29 0 "[ . 1 . 2 . 3]" 1
1045 1 41 GLU HA 1 52 ASN H 4.000 . 5.000 4.284 4.182 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 42 GLU H 1 42 GLU HA 2.800 . 3.800 2.929 2.919 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 42 GLU H 1 42 GLU HB2 2.300 . 3.000 2.241 2.217 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 42 GLU H 1 42 GLU QG 4.000 . 5.000 3.648 3.487 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 42 GLU H 1 49 VAL MG1 2.300 . 3.000 3.060 3.030 3.082 0.082 28 0 "[ . 1 . 2 . 3]" 1
1050 1 42 GLU H 1 50 ALA H 4.000 . 5.000 4.290 4.247 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 42 GLU H 1 50 ALA HA 2.200 . 5.500 5.377 5.273 5.481 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 42 GLU H 1 50 ALA MB 3.300 . 4.700 4.205 4.126 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 42 GLU H 1 51 LEU HA 3.300 . 5.500 3.083 2.872 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 42 GLU H 1 52 ASN H 4.000 . 5.000 3.626 3.521 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 42 GLU H 1 52 ASN HD22 3.700 . 5.400 4.029 3.832 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 42 GLU HA 1 42 GLU HB3 2.700 . 3.600 2.783 2.728 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 42 GLU HA 1 42 GLU QG . . 3.100 2.244 2.005 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 42 GLU HA 1 50 ALA MB 3.400 . 5.500 5.510 5.413 5.571 0.071 8 0 "[ . 1 . 2 . 3]" 1
1059 1 42 GLU HB2 1 51 LEU HA 3.700 . 5.400 4.556 4.341 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 42 GLU HB2 1 52 ASN HD22 2.600 . 3.400 2.898 2.100 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 42 GLU HB3 1 44 ILE MD 2.400 . 5.500 3.121 2.990 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 42 GLU HB3 1 44 ILE QG 2.100 . 5.500 4.943 4.833 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 42 GLU HB3 1 50 ALA MB 2.400 . 5.500 3.977 3.703 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 42 GLU QG 1 43 PRO HD2 2.200 . 2.800 2.793 2.694 2.857 0.057 8 0 "[ . 1 . 2 . 3]" 1
1065 1 42 GLU QG 1 43 PRO HD3 2.400 . 3.100 3.083 2.959 3.104 0.004 30 0 "[ . 1 . 2 . 3]" 1
1066 1 42 GLU QG 1 52 ASN QB 3.000 . 5.500 5.021 4.970 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 42 GLU QG 1 52 ASN HD22 3.400 . 4.800 4.331 2.911 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 43 PRO HA 1 43 PRO HB3 2.200 . 2.800 2.283 2.261 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 43 PRO HA 1 43 PRO HG3 3.200 . 4.000 3.916 3.773 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 43 PRO HA 1 44 ILE H 2.000 . 2.500 2.264 2.246 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 43 PRO HA 1 44 ILE HA 3.300 . 4.700 4.407 4.399 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 43 PRO HA 1 45 ALA H 3.500 . 5.000 5.009 4.953 5.036 0.036 23 0 "[ . 1 . 2 . 3]" 1
1073 1 43 PRO HA 1 49 VAL HA 2.200 . 2.800 1.562 1.541 1.576 0.059 2 0 "[ . 1 . 2 . 3]" 1
1074 1 43 PRO HA 1 49 VAL MG2 2.000 . 2.500 2.143 1.910 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 43 PRO HA 1 50 ALA H 2.800 . 3.800 2.755 2.622 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 43 PRO HA 1 50 ALA MB 3.500 . 5.000 4.452 4.363 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 43 PRO HB2 1 44 ILE H 2.900 . 4.000 2.888 2.829 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 43 PRO HB2 1 44 ILE HA 2.400 . 5.500 4.309 4.233 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 43 PRO HB3 1 43 PRO HD3 2.600 . 5.500 3.493 3.317 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 43 PRO HB3 1 47 GLY HA2 2.500 . 5.500 5.057 4.854 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 43 PRO HB3 1 49 VAL H 3.500 . 5.000 5.050 5.028 5.084 0.084 30 0 "[ . 1 . 2 . 3]" 1
1082 1 43 PRO HB3 1 49 VAL HA 3.100 . 4.300 3.414 3.345 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 43 PRO HB3 1 49 VAL MG2 2.100 . 2.700 1.848 1.632 1.939 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 43 PRO HD2 1 44 ILE HA 2.100 . 5.500 5.291 5.118 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 43 PRO HD2 1 49 VAL QG 2.300 . 5.500 4.090 3.988 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 43 PRO HD3 1 44 ILE MD 3.500 . 5.000 5.059 5.031 5.083 0.083 24 0 "[ . 1 . 2 . 3]" 1
1087 1 43 PRO HD3 1 49 VAL HA 2.900 . 5.500 5.266 5.170 5.330 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 43 PRO HG2 1 44 ILE H 3.000 . 5.500 4.744 4.626 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 43 PRO HG2 1 44 ILE HA 4.100 . 5.500 5.191 4.996 5.513 0.013 1 0 "[ . 1 . 2 . 3]" 1
1090 1 44 ILE H 1 44 ILE HA 2.500 . 3.300 2.946 2.944 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 44 ILE H 1 44 ILE HB 2.400 . 3.100 2.915 2.885 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 44 ILE H 1 44 ILE MD 3.200 . 4.500 3.239 3.164 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 44 ILE H 1 44 ILE MG 3.200 . 4.000 3.917 3.904 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 44 ILE H 1 45 ALA H 2.600 . 3.000 2.800 2.748 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 44 ILE H 1 49 VAL HA 2.400 . 3.100 2.544 2.389 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 44 ILE H 1 49 VAL MG2 2.500 . 3.300 3.302 3.228 3.327 0.027 1 0 "[ . 1 . 2 . 3]" 1
1097 1 44 ILE H 1 50 ALA H 2.800 . 3.800 3.651 3.555 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 44 ILE HA 1 44 ILE HB 2.200 . 5.500 2.987 2.979 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 44 ILE HA 1 44 ILE MD 2.400 . 3.100 2.398 2.283 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 44 ILE HA 1 44 ILE QG 3.000 . 4.100 3.137 3.106 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 44 ILE HA 1 44 ILE MG 2.200 . 2.800 2.154 2.053 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 44 ILE HA 1 45 ALA H 2.700 . 3.600 3.529 3.522 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 44 ILE HA 1 50 ALA MB 2.900 . 5.500 4.906 4.794 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 44 ILE HB 1 44 ILE QG 2.600 . 3.400 2.191 2.189 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 44 ILE HB 1 44 ILE MG 1.700 . 2.200 2.103 2.082 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 44 ILE HB 1 45 ALA H 2.100 . 2.700 1.632 1.613 1.657 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 44 ILE HB 1 48 LEU HA 2.900 . 5.500 5.521 5.469 5.541 0.041 16 0 "[ . 1 . 2 . 3]" 1
1108 1 44 ILE HB 1 49 VAL HA 2.400 . 5.500 4.539 4.403 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 44 ILE MD 1 44 ILE QG 2.200 . 2.400 1.858 1.852 1.866 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 44 ILE MD 1 44 ILE MG 2.100 . 5.500 1.882 1.707 2.051 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 44 ILE MD 1 50 ALA H 3.200 . 4.500 2.540 2.466 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 44 ILE MD 1 50 ALA HA 2.400 . 5.500 4.103 4.040 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 44 ILE MD 1 50 ALA MB 2.100 . 2.700 1.797 1.701 1.888 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 44 ILE QG 1 44 ILE MG 2.200 . 2.800 2.339 2.268 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 44 ILE QG 1 45 ALA H 3.400 . 4.800 3.285 3.217 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 44 ILE QG 1 48 LEU QB 2.900 . 4.000 3.661 3.556 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 44 ILE QG 1 49 VAL HA 3.900 . 5.500 2.620 2.534 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 44 ILE QG 1 49 VAL HB 2.600 . 5.500 5.273 5.192 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 44 ILE MG 1 45 ALA H 2.700 . 3.600 3.054 2.953 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 44 ILE MG 1 50 ALA H 3.900 . 5.500 4.811 4.737 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 44 ILE MG 1 50 ALA MB 2.000 . 5.500 3.631 3.558 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 45 ALA H 1 45 ALA HA 2.800 . 3.800 2.835 2.833 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 45 ALA H 1 45 ALA MB 2.300 . 3.000 2.162 2.060 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 45 ALA H 1 48 LEU H 3.200 . 4.500 3.297 3.237 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 45 ALA H 1 48 LEU QB 3.100 . 4.300 2.478 2.373 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 45 ALA HA 1 45 ALA MB 2.000 . 2.500 2.109 2.087 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 45 ALA HA 1 46 PHE H 2.300 . 3.000 2.946 2.874 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 45 ALA HA 1 48 LEU QB 2.600 . 5.500 4.537 4.181 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 45 ALA MB 1 46 PHE H 2.600 . 3.400 1.849 1.793 1.953 0.007 1 0 "[ . 1 . 2 . 3]" 1
1130 1 45 ALA MB 1 46 PHE QD 3.200 . 4.000 3.277 2.606 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 45 ALA MB 1 46 PHE QE 2.900 . 5.500 4.640 3.468 5.494 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 45 ALA MB 1 47 GLY H 2.600 . 3.400 2.456 2.311 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 45 ALA MB 1 48 LEU H 4.000 . 5.500 2.263 2.056 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 45 ALA MB 1 48 LEU QB 2.500 . 5.500 2.261 1.783 2.414 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 45 ALA MB 1 48 LEU QD 2.300 . 3.000 2.426 1.953 2.609 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 45 ALA MB 1 48 LEU HG 3.100 . 5.500 2.071 1.573 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 46 PHE H 1 46 PHE HA 2.400 . 3.100 2.849 2.841 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 46 PHE H 1 46 PHE HB2 4.000 . 5.500 2.590 2.125 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 46 PHE H 1 46 PHE HB3 4.000 . 5.500 3.309 2.467 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 46 PHE H 1 46 PHE QD 3.900 . 5.500 2.473 1.973 3.051 0.027 17 0 "[ . 1 . 2 . 3]" 1
1141 1 46 PHE H 1 47 GLY H 3.200 . 4.000 2.497 2.480 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 46 PHE HA 1 46 PHE HB2 2.900 . 4.000 2.869 2.387 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 46 PHE HA 1 46 PHE HB3 2.800 . 3.800 2.570 2.366 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 46 PHE HA 1 46 PHE QD 2.800 . 3.800 3.020 2.460 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 46 PHE HA 1 47 GLY H 3.200 . 4.000 3.482 3.445 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 46 PHE HB2 1 46 PHE QD 2.300 . 3.000 2.421 2.266 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 46 PHE HB2 1 47 GLY H 3.200 . 4.000 3.219 2.814 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 46 PHE HB2 1 48 LEU H 2.600 . 5.500 4.884 4.557 5.669 0.169 11 0 "[ . 1 . 2 . 3]" 1
1149 1 46 PHE HB3 1 46 PHE QD 2.600 . 3.400 2.399 2.264 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 46 PHE HB3 1 47 GLY H 2.900 . 4.000 3.759 3.408 4.044 0.044 5 0 "[ . 1 . 2 . 3]" 1
1151 1 47 GLY H 1 47 GLY HA2 2.300 . 3.000 2.917 2.906 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 47 GLY H 1 47 GLY HA3 2.300 . 3.000 2.656 2.650 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 47 GLY H 1 48 LEU H 2.600 . 3.000 1.753 1.705 1.783 0.095 14 0 "[ . 1 . 2 . 3]" 1
1154 1 47 GLY H 1 48 LEU QB 3.300 . 4.700 3.976 3.546 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 47 GLY HA2 1 48 LEU H 2.700 . 3.600 3.238 3.192 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 47 GLY HA3 1 48 LEU H 2.700 . 3.600 3.337 3.278 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 48 LEU H 1 48 LEU HA 2.500 . 3.300 2.912 2.892 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 48 LEU H 1 48 LEU QB . . 3.000 2.597 2.241 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 48 LEU H 1 48 LEU QD 3.200 . 3.800 2.477 1.873 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 48 LEU H 1 48 LEU HG 2.800 . 3.800 2.586 2.239 3.881 0.081 29 0 "[ . 1 . 2 . 3]" 1
1161 1 48 LEU H 1 49 VAL H 3.300 . 4.700 4.213 4.148 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 48 LEU HA 1 48 LEU QB 2.400 . 3.100 2.294 2.245 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 48 LEU HA 1 48 LEU QD . . 2.800 2.245 2.072 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 48 LEU HA 1 48 LEU HG 2.900 . 4.000 3.420 2.433 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 48 LEU HA 1 49 VAL H 1.900 . 2.400 2.168 2.149 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 48 LEU HA 1 49 VAL HB 2.700 . 5.500 4.563 4.440 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 48 LEU QB 1 49 VAL H 2.100 . 5.500 3.582 3.515 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 48 LEU QD 1 48 LEU HG 1.900 . 2.800 1.873 1.863 1.888 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 48 LEU HG 1 49 VAL H 3.500 . 5.000 5.371 4.478 5.519 0.519 2 20 "[ +*** *- * ** *** ******** 3]" 1
1170 1 49 VAL H 1 49 VAL HA 2.600 . 3.400 2.904 2.894 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 49 VAL H 1 49 VAL HB 2.200 . 2.800 2.412 2.283 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 49 VAL H 1 49 VAL MG2 2.200 . 2.800 2.644 2.497 2.812 0.012 29 0 "[ . 1 . 2 . 3]" 1
1173 1 49 VAL HA 1 49 VAL HB 2.400 . 3.100 3.015 2.998 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 49 VAL HA 1 49 VAL MG2 1.900 . 2.400 2.225 2.103 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 49 VAL HA 1 50 ALA H 2.000 . 2.500 2.137 2.122 2.153 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 49 VAL HA 1 50 ALA MB 3.000 . 4.100 3.973 3.945 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 49 VAL HB 1 50 ALA H 4.000 . 5.000 4.228 4.147 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 49 VAL MG1 1 50 ALA H 2.200 . 2.800 2.452 2.228 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 49 VAL MG1 1 50 ALA HA 2.500 . 5.500 3.706 3.575 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 50 ALA H 1 50 ALA MB 2.100 . 2.700 2.321 2.281 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 50 ALA HA 1 50 ALA MB 2.000 . 2.500 2.128 2.124 2.131 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 50 ALA HA 1 51 LEU H 2.100 . 2.700 2.320 2.199 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 50 ALA HA 1 51 LEU QD 2.500 . 3.300 2.929 2.719 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 50 ALA MB 1 51 LEU H 2.200 . 2.800 2.523 2.326 2.805 0.005 9 0 "[ . 1 . 2 . 3]" 1
1185 1 50 ALA MB 1 51 LEU HA 3.800 . 5.500 4.047 3.984 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 50 ALA MB 1 51 LEU HB3 2.400 . 5.500 5.442 5.307 5.603 0.103 9 0 "[ . 1 . 2 . 3]" 1
1187 1 50 ALA MB 1 52 ASN HD22 3.200 . 4.500 3.135 2.808 4.531 0.031 25 0 "[ . 1 . 2 . 3]" 1
1188 1 51 LEU H 1 51 LEU HA 2.700 . 3.600 2.944 2.933 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 51 LEU H 1 51 LEU QD 2.200 . 2.800 2.701 2.492 2.801 0.001 7 0 "[ . 1 . 2 . 3]" 1
1190 1 51 LEU H 1 52 ASN H 4.000 . 5.000 4.268 4.200 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 51 LEU HA 1 51 LEU HB2 2.700 . 3.600 2.983 2.939 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 51 LEU HA 1 51 LEU HB3 2.400 . 3.100 2.509 2.257 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 51 LEU HA 1 51 LEU QD 2.000 . 2.500 2.440 2.150 2.544 0.044 11 0 "[ . 1 . 2 . 3]" 1
1194 1 51 LEU HA 1 51 LEU HG 2.800 . 3.800 2.872 2.407 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 51 LEU HA 1 52 ASN H 2.000 . 2.500 2.129 2.103 2.165 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 51 LEU HA 1 53 VAL QG 3.400 . 4.800 4.360 4.159 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 51 LEU HB2 1 52 ASN H 3.800 . 5.500 4.274 3.882 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 51 LEU HB3 1 51 LEU HG 2.900 . 4.000 2.665 2.459 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 51 LEU HB3 1 52 ASN H 2.900 . 5.500 3.547 3.495 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 51 LEU QD 1 51 LEU HG 1.800 . 5.500 1.877 1.852 1.894 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 52 ASN H 1 52 ASN HA 2.700 . 3.600 2.910 2.902 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 52 ASN H 1 52 ASN QB 2.400 . 3.100 2.666 2.614 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 52 ASN H 1 52 ASN HD22 3.100 . 4.300 3.515 3.374 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 52 ASN H 1 53 VAL H 3.200 . 4.000 4.033 4.007 4.071 0.071 26 0 "[ . 1 . 2 . 3]" 1
1205 1 52 ASN H 1 53 VAL QG 3.600 . 5.200 4.084 3.971 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 52 ASN HA 1 52 ASN QB 2.600 . 3.400 2.270 2.259 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 52 ASN HA 1 53 VAL H 2.000 . 2.500 2.194 2.177 2.209 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 52 ASN HA 1 53 VAL HB 3.400 . 4.800 4.817 4.638 4.850 0.050 18 0 "[ . 1 . 2 . 3]" 1
1209 1 52 ASN QB 1 53 VAL H 4.000 . 4.000 3.702 3.678 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 53 VAL H 1 53 VAL HA 3.000 . 4.100 2.881 2.836 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 53 VAL H 1 53 VAL HB 2.300 . 3.000 2.657 2.527 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 53 VAL H 1 53 VAL QG 2.200 . 2.800 2.009 1.853 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 53 VAL H 1 54 MET H 4.000 . 5.000 4.255 4.187 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 53 VAL HA 1 53 VAL QG 2.300 . 3.000 2.119 2.049 2.170 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 53 VAL HA 1 54 MET H 2.000 . 2.500 2.160 2.140 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 53 VAL HA 1 54 MET HB2 3.700 . 5.400 4.530 4.399 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 53 VAL HB 1 53 VAL QG 2.100 . 2.700 1.874 1.856 1.893 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 54 MET H 1 54 MET HA 2.800 . 3.800 2.894 2.887 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 54 MET H 1 54 MET HB2 2.400 . 3.100 2.393 2.269 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 54 MET H 1 54 MET HB3 3.000 . 4.100 3.597 3.547 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 54 MET H 1 54 MET HG2 4.400 . 5.500 4.005 3.628 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 54 MET H 1 54 MET HG3 2.900 . 4.000 2.723 2.255 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 54 MET HA 1 54 MET HB2 2.800 . 3.800 3.024 3.007 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 54 MET HA 1 54 MET HB3 2.500 . 3.300 2.519 2.446 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 54 MET HA 1 54 MET ME 4.000 . 5.000 4.513 4.332 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 54 MET HA 1 54 MET HG2 2.700 . 3.600 2.949 2.613 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 54 MET HA 1 54 MET HG3 2.700 . 3.600 2.610 2.228 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 54 MET HA 1 55 VAL H 2.100 . 2.700 2.422 2.371 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 54 MET HA 1 55 VAL HB 2.600 . 5.500 5.568 5.554 5.585 0.085 28 0 "[ . 1 . 2 . 3]" 1
1230 1 54 MET HA 1 55 VAL MG1 2.700 . 3.600 3.046 2.989 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 54 MET HA 1 55 VAL MG2 2.900 . 4.000 4.010 3.963 4.038 0.038 27 0 "[ . 1 . 2 . 3]" 1
1232 1 54 MET HB2 1 55 VAL H 3.100 . 4.300 3.650 3.483 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 54 MET HB3 1 54 MET HG2 2.500 . 3.300 2.267 2.206 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 54 MET HB3 1 55 VAL H 2.900 . 4.000 2.413 2.311 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 54 MET ME 1 54 MET HG2 2.200 . 2.800 2.618 2.340 2.816 0.016 6 0 "[ . 1 . 2 . 3]" 1
1236 1 55 VAL H 1 55 VAL HB 2.900 . 4.000 3.920 3.900 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 55 VAL H 1 55 VAL MG1 2.100 . 2.700 2.707 2.662 2.737 0.037 12 0 "[ . 1 . 2 . 3]" 1
1238 1 55 VAL H 1 55 VAL MG2 2.500 . 3.300 2.446 2.323 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 55 VAL HA 1 55 VAL HB 2.300 . 3.000 2.354 2.342 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 55 VAL HA 1 55 VAL MG1 2.100 . 2.700 2.500 2.452 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 55 VAL HA 1 55 VAL MG2 2.900 . 4.000 3.192 3.185 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 55 VAL HA 1 56 VAL H 2.000 . 2.500 2.190 2.147 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 55 VAL HA 1 56 VAL QG 2.700 . 3.600 3.207 3.038 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 55 VAL HB 1 55 VAL MG2 1.800 . 2.200 2.121 2.090 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 55 VAL HB 1 56 VAL H 2.500 . 3.300 3.104 2.981 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 55 VAL HB 1 56 VAL HA 3.600 . 5.200 4.962 4.928 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 56 VAL H 1 56 VAL HA 2.800 . 3.800 2.930 2.921 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 56 VAL H 1 56 VAL HB 2.500 . 3.300 3.063 2.757 3.301 0.001 24 0 "[ . 1 . 2 . 3]" 1
1249 1 56 VAL H 1 56 VAL QG 2.800 . 3.100 1.888 1.685 2.178 0.115 12 0 "[ . 1 . 2 . 3]" 1
1250 1 56 VAL H 1 57 VAL H 4.500 . 5.500 4.293 4.153 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 56 VAL HA 1 56 VAL HB 2.800 . 3.800 2.828 2.299 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 56 VAL HA 1 56 VAL QG . . 3.100 2.080 1.898 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 56 VAL HA 1 57 VAL H 2.000 . 2.500 2.156 2.136 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 56 VAL HA 1 57 VAL HA 2.400 . 5.500 4.386 4.376 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 56 VAL HA 1 57 VAL MG2 3.200 . 4.500 4.067 3.762 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 56 VAL HB 1 56 VAL QG 1.900 . 2.400 1.871 1.854 1.894 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 56 VAL QG 1 57 VAL H 2.400 . 3.100 3.002 2.796 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 57 VAL H 1 57 VAL HB 2.900 . 3.900 3.862 3.809 3.903 0.003 24 0 "[ . 1 . 2 . 3]" 1
1259 1 57 VAL H 1 57 VAL MG1 3.200 . 4.000 2.859 2.508 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 57 VAL H 1 57 VAL MG2 2.200 . 2.800 2.376 2.197 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 57 VAL H 1 58 GLY H 4.000 . 5.000 4.419 4.367 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 57 VAL HA 1 57 VAL HB 2.200 . 2.800 2.395 2.305 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 57 VAL HA 1 57 VAL MG1 2.300 . 3.000 2.374 2.220 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 57 VAL HA 1 57 VAL MG2 2.500 . 3.300 3.189 3.162 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 57 VAL HA 1 58 GLY H 2.100 . 2.700 2.270 2.185 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 57 VAL HA 1 58 GLY HA3 2.300 . 5.500 4.314 4.296 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 57 VAL HB 1 57 VAL MG1 2.100 . 2.700 2.098 2.082 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 57 VAL HB 1 57 VAL MG2 2.100 . 2.700 2.107 2.083 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 57 VAL HB 1 58 GLY H 2.600 . 3.000 2.813 2.401 3.003 0.003 18 0 "[ . 1 . 2 . 3]" 1
1270 1 57 VAL HB 1 59 ASP H 3.800 . 5.500 5.429 5.101 5.536 0.036 21 0 "[ . 1 . 2 . 3]" 1
1271 1 57 VAL HB 1 60 ALA MB 3.500 . 5.000 2.960 2.392 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 57 VAL HB 1 64 THR MG 3.400 . 4.800 3.296 2.610 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 57 VAL MG1 1 58 GLY H 3.000 . 4.100 3.928 3.819 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 57 VAL MG1 1 60 ALA MB 2.800 . 5.500 3.420 2.980 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 57 VAL MG1 1 64 THR HA 2.700 . 5.500 5.082 4.611 5.516 0.016 28 0 "[ . 1 . 2 . 3]" 1
1276 1 57 VAL MG1 1 64 THR HB 3.100 . 4.300 3.627 2.993 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 57 VAL MG2 1 58 GLY H 3.300 . 4.700 3.519 2.742 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 57 VAL MG2 1 58 GLY HA2 2.800 . 3.800 3.531 3.048 3.822 0.022 14 0 "[ . 1 . 2 . 3]" 1
1279 1 57 VAL MG2 1 64 THR HB 2.600 . 5.500 5.026 4.252 5.521 0.021 14 0 "[ . 1 . 2 . 3]" 1
1280 1 58 GLY H 1 58 GLY HA3 2.300 . 3.000 2.777 2.722 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 58 GLY H 1 60 ALA H 2.800 . 3.800 2.231 2.177 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 58 GLY HA2 1 59 ASP H 2.700 . 3.600 3.562 3.548 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 58 GLY HA3 1 59 ASP H 2.400 . 3.100 2.511 2.409 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 58 GLY HA3 1 59 ASP HA 3.000 . 5.500 4.322 4.311 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 59 ASP H 1 59 ASP HA 2.500 . 3.300 2.886 2.881 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 59 ASP H 1 59 ASP HB2 3.200 . 4.000 2.599 2.164 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 59 ASP H 1 59 ASP HB3 2.200 . 2.800 3.006 2.460 3.626 0.826 11 12 "[ ** . *1+ * . * 2*** - * *]" 1
1288 1 59 ASP H 1 60 ALA H 2.600 . 3.400 2.424 2.334 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 59 ASP HA 1 59 ASP HB2 2.100 . 2.700 2.713 2.338 3.026 0.326 22 0 "[ . 1 . 2 . 3]" 1
1290 1 59 ASP HA 1 59 ASP HB3 2.400 . 3.100 2.768 2.344 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 59 ASP HA 1 60 ALA H 3.200 . 4.000 3.298 3.226 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 59 ASP HA 1 60 ALA MB 3.400 . 4.800 4.852 4.807 4.892 0.092 9 0 "[ . 1 . 2 . 3]" 1
1293 1 59 ASP QB 1 60 ALA H 3.200 . 4.000 3.348 3.084 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 59 ASP HB2 1 60 ALA H 3.200 . 5.500 3.912 3.261 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 59 ASP HB3 1 60 ALA H 3.300 . 4.700 3.798 3.179 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 60 ALA H 1 60 ALA HA 2.500 . 3.300 2.834 2.828 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 60 ALA H 1 60 ALA MB 2.100 . 2.700 2.174 2.098 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 60 ALA H 1 61 GLU H 2.800 . 5.500 4.227 4.116 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 60 ALA HA 1 60 ALA MB 1.900 . 2.400 2.113 2.097 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 60 ALA HA 1 61 GLU H 2.600 . 3.000 2.999 2.896 3.078 0.078 22 0 "[ . 1 . 2 . 3]" 1
1301 1 60 ALA MB 1 61 GLU H 2.600 . 3.000 1.836 1.791 1.906 0.009 4 0 "[ . 1 . 2 . 3]" 1
1302 1 60 ALA MB 1 61 GLU HA 3.600 . 5.200 3.867 3.816 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 60 ALA MB 1 61 GLU HG2 3.400 . 4.800 3.354 2.895 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 60 ALA MB 1 62 GLY H 2.900 . 5.500 5.362 5.331 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 60 ALA MB 1 63 GLY H 3.200 . 4.500 4.473 4.394 4.520 0.020 17 0 "[ . 1 . 2 . 3]" 1
1306 1 60 ALA MB 1 64 THR MG 1.800 . 5.500 3.131 2.838 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 61 GLU H 1 61 GLU HA 2.400 . 3.100 2.910 2.901 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 61 GLU H 1 61 GLU HB2 3.200 . 4.000 3.676 3.619 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 61 GLU H 1 61 GLU HB3 3.200 . 4.000 3.700 3.602 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 61 GLU H 1 61 GLU HG2 2.500 . 3.300 2.531 2.088 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 61 GLU H 1 63 GLY H 3.200 . 4.000 3.429 3.336 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 61 GLU HA 1 61 GLU HB2 2.400 . 3.100 2.702 2.639 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 61 GLU HA 1 61 GLU HB3 2.400 . 3.100 2.266 2.247 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 61 GLU HA 1 61 GLU HG2 4.000 . 5.000 3.472 3.375 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 61 GLU HA 1 62 GLY H 2.400 . 3.100 2.788 2.731 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 61 GLU HA 1 63 GLY H 3.200 . 4.000 4.057 4.041 4.070 0.070 3 0 "[ . 1 . 2 . 3]" 1
1317 1 61 GLU HB2 1 62 GLY HA3 2.900 . 4.000 3.896 3.828 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 61 GLU HB2 1 63 GLY H 2.700 . 3.600 2.668 2.578 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 61 GLU HB2 1 63 GLY HA3 3.300 . 4.700 4.366 4.213 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 61 GLU HB2 1 64 THR MG 3.600 . 5.200 5.226 5.211 5.247 0.047 14 0 "[ . 1 . 2 . 3]" 1
1321 1 61 GLU HB3 1 62 GLY HA3 2.500 . 5.500 5.338 5.255 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 61 GLU HG3 1 63 GLY HA3 2.600 . 3.400 3.224 2.950 3.409 0.009 23 0 "[ . 1 . 2 . 3]" 1
1323 1 62 GLY H 1 62 GLY HA2 2.800 . 3.800 2.892 2.888 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 62 GLY H 1 63 GLY H 2.600 . 3.000 2.697 2.664 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 62 GLY HA2 1 64 THR H 2.700 . 3.600 3.092 3.016 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 62 GLY HA2 1 64 THR MG 3.100 . 4.300 3.368 3.083 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 62 GLY HA3 1 64 THR H 4.000 . 5.000 4.172 4.078 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 63 GLY H 1 63 GLY HA3 2.100 . 2.700 2.302 2.298 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 63 GLY H 1 64 THR H 2.800 . 3.800 2.656 2.606 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 63 GLY H 1 64 THR MG 3.800 . 5.500 3.371 3.307 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 63 GLY QA 1 64 THR H 2.600 . 3.000 2.918 2.906 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 63 GLY HA2 1 64 THR H 3.200 . 4.000 3.332 3.288 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 63 GLY HA2 1 65 GLU H 2.700 . 3.600 3.196 3.101 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 63 GLY HA2 1 66 ALA H 4.000 . 5.000 4.254 4.137 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 63 GLY HA2 1 66 ALA MB 3.500 . 5.500 4.750 4.561 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 63 GLY HA3 1 64 THR H 3.200 . 4.000 3.227 3.163 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 63 GLY HA3 1 66 ALA H 4.000 . 5.000 5.021 4.924 5.056 0.056 8 0 "[ . 1 . 2 . 3]" 1
1338 1 64 THR H 1 64 THR HA 2.400 . 3.100 2.865 2.860 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 64 THR H 1 64 THR HB 2.900 . 4.000 3.585 3.555 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 64 THR H 1 64 THR MG 2.600 . 3.400 1.832 1.768 2.024 0.032 9 0 "[ . 1 . 2 . 3]" 1
1341 1 64 THR H 1 65 GLU H 2.600 . 3.400 2.518 2.473 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
1342 1 64 THR H 1 66 ALA MB 3.100 . 5.500 5.249 5.151 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 64 THR HA 1 64 THR HB 2.100 . 2.700 2.308 2.272 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 64 THR HA 1 64 THR MG 2.200 . 2.800 2.670 2.628 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 64 THR HA 1 65 GLU H 3.200 . 4.000 3.277 3.254 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 64 THR HA 1 66 ALA H 3.200 . 4.000 3.267 3.219 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 64 THR HA 1 66 ALA MB 2.700 . 3.600 3.487 3.370 3.611 0.011 22 0 "[ . 1 . 2 . 3]" 1
1348 1 64 THR HA 1 67 ALA H 4.000 . 5.000 3.700 3.620 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 64 THR HA 1 67 ALA MB 2.800 . 5.500 4.062 3.970 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 64 THR HB 1 64 THR MG 2.200 . 2.800 2.094 2.069 2.117 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 64 THR HB 1 65 GLU H 2.700 . 5.500 4.430 4.369 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 64 THR HB 1 66 ALA H 4.000 . 5.000 5.034 5.013 5.053 0.053 25 0 "[ . 1 . 2 . 3]" 1
1353 1 64 THR HB 1 67 ALA MB 3.600 . 5.200 3.725 3.665 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 64 THR MG 1 65 GLU H 2.900 . 4.000 3.816 3.741 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 64 THR MG 1 67 ALA MB 3.400 . 4.800 4.841 4.822 4.867 0.067 8 0 "[ . 1 . 2 . 3]" 1
1356 1 65 GLU H 1 65 GLU HA 2.300 . 3.000 2.791 2.756 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 65 GLU H 1 65 GLU HB2 3.200 . 4.000 3.554 3.112 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
1358 1 65 GLU H 1 65 GLU HB3 2.200 . 2.800 2.577 1.881 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 65 GLU H 1 65 GLU HG2 2.500 . 3.300 2.354 1.922 3.418 0.118 25 0 "[ . 1 . 2 . 3]" 1
1360 1 65 GLU H 1 65 GLU HG3 3.200 . 4.000 2.756 1.963 4.052 0.052 25 0 "[ . 1 . 2 . 3]" 1
1361 1 65 GLU H 1 66 ALA H 2.600 . 3.000 2.588 2.560 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
1362 1 65 GLU H 1 66 ALA HA 2.700 . 5.500 5.149 5.127 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 65 GLU H 1 66 ALA MB 3.300 . 4.700 4.221 4.143 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 65 GLU H 1 67 ALA H 3.200 . 4.500 4.349 4.292 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 65 GLU HA 1 65 GLU HB2 2.200 . 2.800 2.490 2.216 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 65 GLU HA 1 65 GLU HG2 2.500 . 5.500 3.883 3.643 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 65 GLU HA 1 65 GLU HG3 3.200 . 4.000 3.650 3.231 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 65 GLU HA 1 66 ALA H 2.700 . 3.600 3.419 3.410 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 65 GLU HA 1 67 ALA H 2.800 . 3.800 3.717 3.623 3.823 0.023 8 0 "[ . 1 . 2 . 3]" 1
1370 1 65 GLU HA 1 67 ALA MB 3.500 . 5.000 4.132 3.945 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 65 GLU HA 1 68 GLU H 3.000 . 4.100 3.533 3.443 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 65 GLU HA 1 68 GLU QB 2.200 . 5.500 3.696 3.457 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 65 GLU HB2 1 66 ALA H 2.800 . 3.800 3.882 3.860 4.209 0.409 25 0 "[ . 1 . 2 . 3]" 1
1374 1 65 GLU HB2 1 66 ALA HA 2.400 . 5.500 4.559 4.508 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 65 GLU HB3 1 66 ALA H 3.200 . 4.000 4.059 3.322 4.100 0.100 10 0 "[ . 1 . 2 . 3]" 1
1376 1 65 GLU HG2 1 66 ALA HA 3.700 . 5.400 5.039 3.592 5.407 0.007 13 0 "[ . 1 . 2 . 3]" 1
1377 1 65 GLU HG2 1 66 ALA MB 3.200 . 5.500 4.529 3.882 5.035 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 65 GLU HG3 1 66 ALA H 3.300 . 4.700 2.353 2.101 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 65 GLU HG3 1 66 ALA HA 3.500 . 5.000 3.525 3.212 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 65 GLU HG3 1 66 ALA MB 4.000 . 5.500 3.495 3.289 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 66 ALA H 1 66 ALA HA 2.300 . 3.000 2.774 2.766 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 66 ALA H 1 66 ALA MB 2.000 . 2.500 2.171 2.042 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 66 ALA H 1 67 ALA MB 3.500 . 5.000 4.338 4.289 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 66 ALA H 1 68 GLU H 4.000 . 5.000 4.735 4.637 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
1385 1 66 ALA HA 1 66 ALA MB 1.900 . 2.400 2.113 2.085 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 66 ALA HA 1 67 ALA H 2.700 . 3.600 3.483 3.462 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
1387 1 66 ALA HA 1 67 ALA HA 2.900 . 5.500 4.829 4.816 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 66 ALA HA 1 68 GLU H 4.000 . 5.000 4.668 4.380 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 66 ALA HA 1 69 GLU H 2.600 . 3.400 3.284 3.209 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 66 ALA HA 1 69 GLU HB2 2.300 . 3.000 2.167 1.953 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 66 ALA HA 1 69 GLU HB3 2.800 . 3.800 3.111 2.858 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 66 ALA HA 1 69 GLU HG2 4.100 . 5.500 4.734 4.110 5.088 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 66 ALA HA 1 69 GLU HG3 3.900 . 5.500 3.968 3.165 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 66 ALA HA 1 70 SER H 3.300 . 4.700 3.946 3.886 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 66 ALA MB 1 67 ALA H 2.600 . 3.000 2.849 2.775 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 66 ALA MB 1 67 ALA HA 3.600 . 5.500 3.864 3.741 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 66 ALA MB 1 69 GLU H 4.000 . 5.000 4.450 4.414 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
1398 1 66 ALA MB 1 69 GLU HB2 3.000 . 4.100 3.770 3.506 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 66 ALA MB 1 69 GLU HB3 3.000 . 4.100 4.039 3.650 4.112 0.012 22 0 "[ . 1 . 2 . 3]" 1
1400 1 66 ALA MB 1 70 SER H 3.300 . 4.700 4.233 4.185 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 66 ALA MB 1 70 SER QB 3.000 . 4.100 4.001 3.958 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 67 ALA H 1 67 ALA HA 2.400 . 3.100 2.799 2.783 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 67 ALA H 1 67 ALA MB 2.100 . 2.700 2.107 2.029 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 67 ALA H 1 68 GLU H 2.600 . 3.000 2.837 2.777 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 67 ALA H 1 69 GLU H 3.300 . 4.700 3.846 3.781 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 67 ALA HA 1 67 ALA MB 2.000 . 2.500 2.100 2.081 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 67 ALA HA 1 68 GLU H 3.200 . 4.000 3.567 3.558 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 67 ALA HA 1 69 GLU H 4.000 . 5.000 4.235 4.166 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
1409 1 67 ALA HA 1 69 GLU HB2 2.100 . 5.500 5.316 5.040 5.506 0.006 23 0 "[ . 1 . 2 . 3]" 1
1410 1 67 ALA HA 1 70 SER H 4.000 . 5.000 3.555 3.455 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 67 ALA HA 1 71 LEU QD 3.500 . 5.000 3.914 3.672 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 67 ALA HA 1 74 ILE MD 3.300 . 5.500 4.548 4.421 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
1413 1 67 ALA MB 1 68 GLU H 2.600 . 3.000 2.335 2.192 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 67 ALA MB 1 68 GLU HA 3.600 . 5.200 3.703 3.630 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 67 ALA MB 1 69 GLU H 4.000 . 5.000 4.224 4.177 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 67 ALA MB 1 70 SER QB 3.000 . 5.500 4.549 4.155 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
1417 1 67 ALA MB 1 71 LEU QD 2.500 . 3.300 3.292 3.247 3.329 0.029 13 0 "[ . 1 . 2 . 3]" 1
1418 1 67 ALA MB 1 74 ILE MD 3.300 . 4.700 4.683 4.503 4.748 0.048 17 0 "[ . 1 . 2 . 3]" 1
1419 1 67 ALA MB 1 82 VAL MG1 2.700 . 5.500 4.115 3.403 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 68 GLU H 1 68 GLU HA 2.400 . 3.100 2.799 2.790 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
1421 1 68 GLU H 1 68 GLU QB 2.300 . 3.000 2.448 1.958 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 68 GLU H 1 68 GLU HG2 2.500 . 3.300 2.891 2.419 3.461 0.161 23 0 "[ . 1 . 2 . 3]" 1
1423 1 68 GLU H 1 68 GLU HG3 2.600 . 3.400 2.540 1.981 3.543 0.143 23 0 "[ . 1 . 2 . 3]" 1
1424 1 68 GLU H 1 69 GLU H 2.600 . 3.000 2.649 2.466 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 68 GLU H 1 70 SER H 4.000 . 5.500 4.384 4.083 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 68 GLU H 1 71 LEU H 4.000 . 5.000 4.713 4.465 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
1427 1 68 GLU HA 1 68 GLU QB 2.400 . 3.000 2.365 2.130 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 68 GLU HA 1 68 GLU HG2 2.400 . 3.100 2.492 2.304 4.059 0.959 23 1 "[ . 1 . 2 + . 3]" 1
1429 1 68 GLU HA 1 68 GLU HG3 2.800 . 3.800 3.444 3.073 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 68 GLU HA 1 69 GLU H 3.200 . 4.000 3.505 3.477 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
1431 1 68 GLU HA 1 69 GLU HA 3.500 . 5.000 4.817 4.802 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
1432 1 68 GLU HA 1 70 SER H 4.000 . 5.000 4.559 4.345 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 68 GLU HA 1 71 LEU H 3.200 . 4.000 3.303 3.111 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 68 GLU HA 1 71 LEU HB2 2.600 . 3.400 2.064 1.900 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 68 GLU HA 1 71 LEU HB3 2.600 . 3.400 3.362 3.113 3.433 0.033 8 0 "[ . 1 . 2 . 3]" 1
1436 1 68 GLU HA 1 71 LEU QD 2.300 . 5.500 2.948 1.981 3.293 0.019 25 0 "[ . 1 . 2 . 3]" 1
1437 1 68 GLU HA 1 72 SER H 4.000 . 5.000 4.694 4.303 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 68 GLU QB 1 69 GLU H 2.200 . 2.800 2.730 2.653 3.021 0.221 23 0 "[ . 1 . 2 . 3]" 1
1439 1 68 GLU QB 1 72 SER H 3.400 . 5.500 5.133 5.065 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 68 GLU HG3 1 69 GLU H 3.300 . 4.700 4.365 2.262 4.701 0.001 24 0 "[ . 1 . 2 . 3]" 1
1441 1 69 GLU H 1 69 GLU HA 2.200 . 2.800 2.819 2.788 2.829 0.029 13 0 "[ . 1 . 2 . 3]" 1
1442 1 69 GLU H 1 69 GLU HB2 2.100 . 2.700 2.082 2.060 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 69 GLU H 1 69 GLU HB3 3.200 . 4.000 3.186 3.046 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
1444 1 69 GLU H 1 69 GLU HG2 3.300 . 4.700 4.179 3.456 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 69 GLU H 1 69 GLU HG3 3.000 . 4.100 3.847 3.331 4.346 0.246 23 0 "[ . 1 . 2 . 3]" 1
1446 1 69 GLU H 1 70 SER H 2.600 . 3.000 2.688 2.647 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 69 GLU H 1 71 LEU H 4.000 . 5.000 3.673 3.576 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
1448 1 69 GLU H 1 72 SER QB 3.300 . 5.500 5.325 5.071 5.364 . 0 0 "[ . 1 . 2 . 3]" 1
1449 1 69 GLU HA 1 69 GLU HB3 2.400 . 3.100 2.882 2.774 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 69 GLU HA 1 69 GLU HG2 2.800 . 3.800 2.373 2.027 3.331 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 69 GLU HA 1 70 SER H 3.200 . 4.000 3.547 3.535 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 69 GLU HA 1 71 LEU H 3.200 . 4.000 3.857 3.761 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
1453 1 69 GLU HA 1 71 LEU HB2 2.800 . 5.500 4.859 4.549 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 69 GLU HA 1 72 SER H 3.200 . 4.000 3.515 3.421 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 69 GLU HB2 1 70 SER H 2.700 . 3.600 3.088 2.809 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 69 GLU HB3 1 70 SER H 2.500 . 3.300 2.618 2.500 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 70 SER H 1 70 SER HA 2.400 . 3.100 2.826 2.818 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 70 SER H 1 70 SER QB 2.200 . 2.800 2.195 2.057 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 70 SER H 1 71 LEU H 2.600 . 3.000 2.539 2.421 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
1460 1 70 SER H 1 72 SER H 4.000 . 5.000 4.203 4.052 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 70 SER HA 1 71 LEU H 3.000 . 4.100 3.414 3.383 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
1462 1 70 SER HA 1 72 SER H 2.900 . 4.000 3.950 3.865 4.051 0.051 23 0 "[ . 1 . 2 . 3]" 1
1463 1 70 SER HA 1 72 SER QB 2.800 . 5.500 4.739 4.520 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 70 SER QB 1 71 LEU H 2.600 . 5.500 3.349 2.989 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
1465 1 70 SER QB 1 74 ILE HB 3.500 . 5.000 4.150 3.656 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 71 LEU H 1 71 LEU HA 2.600 . 3.400 2.852 2.844 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
1467 1 71 LEU H 1 71 LEU HB2 2.500 . 3.300 2.058 2.030 2.067 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 71 LEU H 1 71 LEU HB3 3.200 . 4.000 3.255 3.210 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 71 LEU H 1 71 LEU QD . . 3.800 2.960 2.747 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
1470 1 71 LEU H 1 71 LEU HG 4.000 . 5.000 4.283 3.448 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 71 LEU H 1 72 SER H 2.600 . 3.000 2.467 2.437 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 71 LEU H 1 73 GLY H 4.000 . 5.000 3.986 3.920 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 71 LEU HA 1 71 LEU HB2 2.200 . 2.800 2.863 2.837 2.904 0.104 13 0 "[ . 1 . 2 . 3]" 1
1474 1 71 LEU HA 1 71 LEU QD 1.800 . 2.200 1.889 1.809 2.207 0.007 13 0 "[ . 1 . 2 . 3]" 1
1475 1 71 LEU HA 1 72 SER H 3.000 . 4.100 3.475 3.455 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
1476 1 71 LEU HA 1 74 ILE HB 2.100 . 2.700 1.684 1.560 1.788 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 71 LEU HA 1 74 ILE MG 2.000 . 2.500 2.472 2.293 2.547 0.047 8 0 "[ . 1 . 2 . 3]" 1
1478 1 71 LEU QB 1 72 SER H 3.200 . 4.000 2.894 2.772 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
1479 1 71 LEU HB2 1 72 SER H 2.800 . 3.800 3.277 3.068 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
1480 1 71 LEU HB3 1 71 LEU HG 2.800 . 3.800 2.463 2.381 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
1481 1 71 LEU HB3 1 72 SER H 3.200 . 4.000 3.222 3.151 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
1482 1 71 LEU QD 1 71 LEU HG 1.800 . 2.200 1.881 1.862 1.894 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 71 LEU QD 1 72 SER H 2.300 . 5.500 4.019 3.980 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
1484 1 71 LEU QD 1 72 SER QB 3.100 . 5.500 5.057 4.989 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 71 LEU QD 1 74 ILE H 2.500 . 5.500 3.619 3.492 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 71 LEU QD 1 80 ILE MD 3.200 . 4.000 2.050 1.896 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
1487 1 71 LEU QD 1 80 ILE MG 3.200 . 4.000 3.565 3.438 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 71 LEU HG 1 72 SER H 4.200 . 5.500 5.343 4.995 5.422 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 71 LEU HG 1 82 VAL HB 2.300 . 5.500 3.911 3.305 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
1490 1 71 LEU HG 1 82 VAL MG1 2.300 . 3.000 2.774 2.456 3.160 0.160 25 0 "[ . 1 . 2 . 3]" 1
1491 1 72 SER H 1 72 SER HA 2.400 . 3.100 2.821 2.814 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
1492 1 72 SER H 1 72 SER QB 2.500 . 3.300 2.077 2.045 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 72 SER H 1 73 GLY H 2.700 . 3.600 2.602 2.558 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 72 SER QB 1 73 GLY H 4.000 . 5.000 3.344 3.105 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
1495 1 73 GLY H 1 73 GLY HA2 2.300 . 3.000 2.915 2.911 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
1496 1 73 GLY H 1 73 GLY HA3 2.200 . 2.800 2.656 2.651 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 73 GLY H 1 74 ILE H 2.600 . 3.000 2.052 1.948 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 73 GLY H 1 74 ILE MG 3.400 . 4.800 4.148 3.975 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 73 GLY QA 1 74 ILE H 3.200 . 4.000 2.786 2.725 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 73 GLY HA2 1 74 ILE H 3.300 . 4.700 2.942 2.846 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 73 GLY HA3 1 74 ILE H 2.600 . 3.400 3.450 3.427 3.483 0.083 8 0 "[ . 1 . 2 . 3]" 1
1502 1 74 ILE H 1 74 ILE HA 2.600 . 3.400 2.847 2.842 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 74 ILE H 1 74 ILE HB 2.200 . 2.800 2.295 2.261 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
1504 1 74 ILE H 1 74 ILE MD 2.600 . 5.500 4.039 3.786 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 74 ILE H 1 74 ILE MG 2.700 . 3.600 2.511 2.423 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
1506 1 74 ILE H 1 75 GLU H 4.000 . 5.000 4.422 4.388 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 74 ILE HA 1 74 ILE HB 2.500 . 3.300 2.606 2.582 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
1508 1 74 ILE HA 1 74 ILE MD 2.900 . 4.000 3.244 2.664 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1509 1 74 ILE HA 1 74 ILE MG 2.100 . 5.500 3.179 3.166 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
1510 1 74 ILE HA 1 75 GLU H 2.600 . 3.000 2.798 2.721 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 74 ILE HA 1 75 GLU HA 3.600 . 5.200 4.374 4.344 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 74 ILE HB 1 74 ILE MD 2.100 . 2.700 2.109 1.979 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
1513 1 74 ILE HB 1 74 ILE MG 2.200 . 2.800 2.101 2.072 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
1514 1 74 ILE HB 1 75 GLU H 3.900 . 5.500 3.562 3.517 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
1515 1 74 ILE MG 1 75 GLU HA 2.400 . 5.500 3.886 3.800 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
1516 1 74 ILE MG 1 76 GLY HA3 2.700 . 5.500 5.128 4.957 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
1517 1 74 ILE MG 1 80 ILE MD 3.200 . 4.000 2.067 1.966 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
1518 1 75 GLU H 1 75 GLU HA 2.400 . 3.100 2.756 2.734 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
1519 1 75 GLU H 1 75 GLU QB . . 2.800 2.250 2.001 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
1520 1 75 GLU H 1 75 GLU QG 2.900 . 4.000 3.045 1.915 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
1521 1 75 GLU HA 1 75 GLU QB 2.200 . 2.800 2.415 2.174 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
1522 1 75 GLU HA 1 75 GLU QG 2.900 . 4.000 2.672 2.212 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
1523 1 75 GLU HA 1 76 GLY H 1.900 . 2.400 2.213 2.175 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
1524 1 75 GLU HA 1 77 VAL H 3.200 . 4.000 3.505 3.353 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
1525 1 75 GLU HA 1 77 VAL HB 3.700 . 5.400 5.455 5.404 5.538 0.138 19 0 "[ . 1 . 2 . 3]" 1
1526 1 75 GLU HA 1 78 SER H 2.900 . 4.000 3.855 3.725 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
1527 1 75 GLU HA 1 78 SER QB 2.500 . 5.500 4.309 4.073 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
1528 1 75 GLU QB 1 76 GLY H 3.200 . 4.500 3.773 3.680 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
1529 1 75 GLU QB 1 78 SER QB 2.700 . 3.100 1.808 1.649 2.387 0.251 29 0 "[ . 1 . 2 . 3]" 1
1530 1 75 GLU QG 1 76 GLY H 3.300 . 4.700 4.194 3.818 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
1531 1 75 GLU QG 1 78 SER QB 2.700 . 3.500 2.006 1.556 2.349 0.344 20 0 "[ . 1 . 2 . 3]" 1
1532 1 76 GLY H 1 76 GLY HA2 2.200 . 2.800 2.802 2.783 2.824 0.024 10 0 "[ . 1 . 2 . 3]" 1
1533 1 76 GLY H 1 76 GLY HA3 2.400 . 3.100 2.293 2.289 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
1534 1 76 GLY H 1 77 VAL H 2.200 . 2.800 2.702 2.622 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
1535 1 76 GLY H 1 77 VAL HB 3.700 . 5.400 5.021 4.757 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
1536 1 76 GLY HA2 1 77 VAL H 2.700 . 3.600 3.486 3.448 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
1537 1 76 GLY HA3 1 77 VAL H 2.700 . 3.600 2.962 2.897 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
1538 1 76 GLY HA3 1 77 VAL QG 2.400 . 5.500 4.190 3.497 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
1539 1 77 VAL H 1 77 VAL HA 2.600 . 3.400 2.906 2.899 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
1540 1 77 VAL H 1 77 VAL HB 2.600 . 3.000 2.573 2.395 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
1541 1 77 VAL H 1 77 VAL QG 2.300 . 3.000 2.233 1.982 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
1542 1 77 VAL H 1 78 SER H 3.200 . 4.000 2.269 2.234 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
1543 1 77 VAL HA 1 77 VAL HB 2.500 . 3.300 2.772 2.557 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
1544 1 77 VAL HA 1 77 VAL QG . . 2.700 2.166 2.034 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
1545 1 77 VAL HA 1 78 SER H 3.200 . 4.000 3.499 3.470 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
1546 1 77 VAL HA 1 79 ASN H 4.000 . 5.000 4.879 4.788 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
1547 1 77 VAL HB 1 77 VAL QG 2.000 . 2.500 1.888 1.875 1.896 . 0 0 "[ . 1 . 2 . 3]" 1
1548 1 77 VAL HB 1 78 SER H 2.700 . 3.600 3.234 2.602 3.701 0.101 7 0 "[ . 1 . 2 . 3]" 1
1549 1 77 VAL QG 1 78 SER H 2.700 . 3.600 2.527 1.775 3.307 0.125 3 0 "[ . 1 . 2 . 3]" 1
1550 1 77 VAL QG 1 78 SER QB 4.500 . 5.500 3.483 2.514 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
1551 1 78 SER H 1 78 SER HA 2.600 . 3.400 2.911 2.904 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
1552 1 78 SER H 1 78 SER QB 2.700 . 3.300 2.509 2.226 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
1553 1 78 SER H 1 79 ASN H 3.200 . 4.000 4.059 4.013 4.096 0.096 27 0 "[ . 1 . 2 . 3]" 1
1554 1 78 SER HA 1 78 SER QB 2.500 . 3.000 2.288 2.202 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
1555 1 78 SER HA 1 79 ASN H 2.800 . 3.800 2.260 2.230 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
1556 1 78 SER HA 1 79 ASN HA 3.600 . 5.200 4.473 4.455 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
1557 1 78 SER QB 1 79 ASN H 3.400 . 4.800 3.893 3.730 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
1558 1 79 ASN H 1 79 ASN HA 2.400 . 3.100 2.891 2.878 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
1559 1 79 ASN H 1 79 ASN HB2 2.300 . 3.000 2.632 2.409 3.092 0.092 16 0 "[ . 1 . 2 . 3]" 1
1560 1 79 ASN H 1 79 ASN HB3 3.200 . 4.000 2.702 2.238 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
1561 1 79 ASN H 1 80 ILE H 4.000 . 5.000 4.491 4.461 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
1562 1 79 ASN HA 1 79 ASN HB2 2.300 . 3.000 2.540 2.294 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
1563 1 79 ASN HA 1 80 ILE H 2.300 . 3.000 2.111 2.080 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
1564 1 79 ASN HA 1 82 VAL MG2 3.600 . 5.500 5.181 5.079 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
1565 1 79 ASN QB 1 80 ILE H 3.200 . 4.000 3.573 3.493 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
1566 1 79 ASN HB3 1 79 ASN HD22 3.400 . 4.800 3.836 3.692 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
1567 1 79 ASN HB3 1 80 ILE H 2.200 . 5.500 3.947 3.712 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
1568 1 79 ASN QD 1 80 ILE H 3.000 . 4.100 1.841 1.811 1.853 0.089 29 0 "[ . 1 . 2 . 3]" 1
1569 1 79 ASN HD21 1 82 VAL HB 3.600 . 5.500 5.698 5.666 5.752 0.252 29 0 "[ . 1 . 2 . 3]" 1
1570 1 79 ASN HD21 1 82 VAL MG2 2.900 . 3.900 4.007 3.974 4.059 0.159 29 0 "[ . 1 . 2 . 3]" 1
1571 1 79 ASN HD22 1 82 VAL HB 3.900 . 5.500 5.550 5.522 5.583 0.083 21 0 "[ . 1 . 2 . 3]" 1
1572 1 80 ILE H 1 80 ILE HA 2.600 . 3.400 2.903 2.898 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
1573 1 80 ILE H 1 80 ILE HB 2.900 . 4.000 2.580 2.532 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
1574 1 80 ILE H 1 80 ILE QG 3.200 . 4.500 2.426 1.875 2.780 0.025 29 0 "[ . 1 . 2 . 3]" 1
1575 1 80 ILE H 1 80 ILE MG 3.000 . 4.100 3.762 3.747 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
1576 1 80 ILE H 1 81 GLU H 4.000 . 5.000 4.531 4.515 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1577 1 80 ILE HA 1 80 ILE HB 2.300 . 3.000 3.004 2.991 3.008 0.008 7 0 "[ . 1 . 2 . 3]" 1
1578 1 80 ILE HA 1 80 ILE MD 3.000 . 4.100 3.768 3.543 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
1579 1 80 ILE HA 1 80 ILE QG 3.400 . 4.800 2.489 2.416 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
1580 1 80 ILE HA 1 80 ILE MG 2.100 . 2.700 2.224 2.146 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
1581 1 80 ILE HA 1 81 GLU H 3.200 . 4.000 2.218 2.188 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
1582 1 80 ILE HA 1 81 GLU HA 3.900 . 5.500 4.381 4.370 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
1583 1 80 ILE HA 1 82 VAL MG2 3.400 . 4.800 3.889 3.841 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
1584 1 80 ILE HB 1 80 ILE MD 2.400 . 5.500 2.174 1.979 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
1585 1 80 ILE HB 1 80 ILE QG 2.300 . 3.000 2.495 2.397 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
1586 1 80 ILE HB 1 80 ILE MG 2.000 . 5.500 2.073 2.067 2.107 . 0 0 "[ . 1 . 2 . 3]" 1
1587 1 80 ILE HB 1 81 GLU H 2.800 . 3.700 3.717 3.698 3.752 0.052 29 0 "[ . 1 . 2 . 3]" 1
1588 1 80 ILE MG 1 81 GLU H 2.300 . 3.000 1.820 1.714 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
1589 1 81 GLU H 1 81 GLU HA 2.800 . 3.800 2.912 2.906 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
1590 1 81 GLU H 1 81 GLU HB3 2.600 . 3.400 2.661 2.496 3.518 0.118 12 0 "[ . 1 . 2 . 3]" 1
1591 1 81 GLU H 1 82 VAL H 3.200 . 4.000 3.588 3.560 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
1592 1 81 GLU HA 1 81 GLU HB2 2.400 . 3.100 2.565 2.484 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
1593 1 81 GLU HA 1 81 GLU QG 3.200 . 3.600 2.552 2.209 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
1594 1 81 GLU HA 1 82 VAL H 2.000 . 2.500 2.350 2.281 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
1595 1 81 GLU HA 1 82 VAL MG2 2.400 . 5.500 4.042 3.975 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
1596 1 81 GLU QG 1 82 VAL H 3.500 . 5.000 4.008 3.852 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
1597 1 81 GLU QG 1 82 VAL HA 3.700 . 5.400 4.784 4.552 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
1598 1 82 VAL H 1 82 VAL HA 2.800 . 3.800 2.858 2.851 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
1599 1 82 VAL H 1 82 VAL HB 2.100 . 2.700 2.456 2.400 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
1600 1 82 VAL H 1 82 VAL MG2 2.200 . 2.800 2.265 2.210 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
1601 1 82 VAL H 1 83 THR HB 2.200 . 5.500 5.401 5.333 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
1602 1 82 VAL HA 1 82 VAL HB 2.700 . 3.600 3.030 3.026 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1603 1 82 VAL HA 1 82 VAL MG1 2.300 . 3.000 2.334 2.279 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
1604 1 82 VAL HA 1 82 VAL MG2 3.200 . 4.000 2.296 2.264 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
1605 1 82 VAL HA 1 83 THR H 2.200 . 2.800 2.613 2.543 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1606 1 82 VAL HA 1 84 ASP H 2.900 . 4.000 3.382 3.312 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
1607 1 82 VAL HB 1 82 VAL MG1 1.900 . 2.400 2.105 2.099 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
1608 1 82 VAL HB 1 83 THR H 2.300 . 5.500 4.357 4.283 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
1609 1 82 VAL HB 1 83 THR HA 2.600 . 5.500 4.937 4.879 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
1610 1 82 VAL MG1 1 84 ASP H 3.100 . 4.300 4.354 4.323 4.397 0.097 25 0 "[ . 1 . 2 . 3]" 1
1611 1 83 THR H 1 83 THR HA 2.600 . 3.400 2.929 2.926 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
1612 1 83 THR H 1 83 THR HB 3.200 . 4.500 2.960 2.931 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
1613 1 83 THR H 1 83 THR MG 3.200 . 4.000 3.970 3.961 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
1614 1 83 THR H 1 84 ASP H 2.200 . 2.800 1.929 1.861 2.051 . 0 0 "[ . 1 . 2 . 3]" 1
1615 1 83 THR HA 1 83 THR HB 2.700 . 3.600 3.002 2.998 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
1616 1 83 THR HA 1 83 THR MG 2.100 . 2.700 2.257 2.135 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
1617 1 83 THR HA 1 84 ASP H 2.700 . 3.600 3.240 3.159 3.331 . 0 0 "[ . 1 . 2 . 3]" 1
1618 1 83 THR HB 1 83 THR MG 2.100 . 2.700 2.089 2.068 2.114 . 0 0 "[ . 1 . 2 . 3]" 1
1619 1 83 THR HB 1 84 ASP H 2.900 . 4.000 3.738 3.577 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
1620 1 83 THR HB 1 84 ASP HA 3.000 . 5.500 4.255 4.210 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1621 1 83 THR MG 1 84 ASP H 3.100 . 4.300 4.332 4.306 4.356 0.056 25 0 "[ . 1 . 2 . 3]" 1
1622 1 83 THR MG 1 85 VAL HB 2.700 . 5.500 5.267 5.146 5.505 0.005 7 0 "[ . 1 . 2 . 3]" 1
1623 1 84 ASP H 1 84 ASP HA 2.500 . 3.300 2.903 2.889 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
1624 1 84 ASP H 1 84 ASP HB2 2.800 . 3.800 2.469 2.306 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
1625 1 84 ASP H 1 84 ASP HB3 2.900 . 4.000 3.128 2.608 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
1626 1 84 ASP H 1 85 VAL H 3.200 . 4.500 4.540 4.474 4.577 0.077 19 0 "[ . 1 . 2 . 3]" 1
1627 1 84 ASP HA 1 84 ASP HB2 2.400 . 3.100 2.781 2.521 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
1628 1 84 ASP HA 1 84 ASP HB3 2.600 . 3.400 2.765 2.458 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
1629 1 84 ASP HA 1 85 VAL H 1.900 . 2.400 2.183 2.142 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
1630 1 84 ASP HA 1 85 VAL HB 2.900 . 5.500 4.240 3.965 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
1631 1 84 ASP QB 1 85 VAL H 3.200 . 4.000 3.285 2.718 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
1632 1 84 ASP HB2 1 85 VAL H 3.500 . 5.000 4.166 3.957 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
1633 1 84 ASP HB3 1 85 VAL H 3.500 . 5.000 3.477 2.769 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
1634 1 85 VAL H 1 85 VAL HA 2.600 . 3.400 2.912 2.900 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
1635 1 85 VAL H 1 85 VAL HB 2.400 . 3.100 3.090 2.671 3.176 0.076 27 0 "[ . 1 . 2 . 3]" 1
1636 1 85 VAL H 1 85 VAL QG 2.600 . 3.400 2.562 2.387 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
1637 1 85 VAL H 1 86 ARG H 4.000 . 5.000 4.369 4.243 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
1638 1 85 VAL HA 1 85 VAL QG 2.500 . 2.800 2.128 1.970 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
1639 1 85 VAL HA 1 86 ARG H 2.000 . 2.500 2.308 2.155 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
1640 1 85 VAL HB 1 86 ARG H 3.400 . 4.800 4.033 3.875 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
1641 1 85 VAL QG 1 86 ARG H 3.200 . 3.300 2.005 1.673 2.509 0.227 14 0 "[ . 1 . 2 . 3]" 1
1642 1 85 VAL QG 1 86 ARG HA 3.100 . 5.500 3.185 3.039 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
1643 1 85 VAL QG 1 87 ARG H 3.500 . 5.000 3.025 2.347 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
1644 1 85 VAL QG 1 87 ARG HB3 2.200 . 5.500 4.669 3.595 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
1645 1 85 VAL QG 1 87 ARG HG2 2.500 . 5.500 3.034 1.960 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
1646 1 85 VAL QG 1 87 ARG HG3 1.800 . 5.500 3.100 2.338 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
1647 1 86 ARG H 1 86 ARG HA 2.600 . 3.400 2.908 2.890 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
1648 1 86 ARG H 1 86 ARG HB2 3.200 . 4.000 3.007 2.648 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
1649 1 86 ARG H 1 86 ARG HB3 2.900 . 4.000 3.559 2.679 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
1650 1 86 ARG H 1 86 ARG HG2 2.900 . 4.000 3.874 2.886 4.272 0.272 9 0 "[ . 1 . 2 . 3]" 1
1651 1 86 ARG H 1 86 ARG HG3 3.200 . 4.000 3.920 3.369 4.182 0.182 17 0 "[ . 1 . 2 . 3]" 1
1652 1 86 ARG HA 1 86 ARG HB3 2.200 . 2.800 2.619 2.340 2.920 0.120 17 0 "[ . 1 . 2 . 3]" 1
1653 1 86 ARG HA 1 86 ARG QD 3.400 . 4.800 3.447 2.869 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
1654 1 86 ARG HA 1 86 ARG HG2 3.200 . 4.500 2.827 2.134 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
1655 1 86 ARG HA 1 86 ARG HG3 3.200 . 4.000 3.294 2.482 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
1656 1 86 ARG HA 1 87 ARG H 3.200 . 4.000 2.251 2.112 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
1657 1 86 ARG HB2 1 86 ARG QD 2.700 . 3.600 2.671 2.062 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
1658 1 86 ARG HB3 1 86 ARG QD 3.400 . 4.800 2.441 2.003 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
1659 1 86 ARG QD 1 86 ARG HG3 2.400 . 3.100 2.341 2.157 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
1660 1 86 ARG QD 1 87 ARG H 3.600 . 5.500 5.099 4.811 5.253 . 0 0 "[ . 1 . 2 . 3]" 1
1661 1 86 ARG HG3 1 87 ARG H 3.600 . 5.500 5.073 3.588 5.911 0.411 28 0 "[ . 1 . 2 . 3]" 1
1662 1 87 ARG H 1 87 ARG HB3 2.800 . 3.700 3.547 3.181 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
1663 1 87 ARG H 1 87 ARG HG3 2.500 . 3.300 3.291 1.960 3.838 0.538 6 3 "[ .+ *1 . 2 . -3]" 1
1664 1 87 ARG HA 1 87 ARG HB2 2.600 . 3.400 2.992 2.678 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
1665 1 87 ARG HA 1 87 ARG HB3 2.600 . 3.400 2.549 2.241 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
1666 1 87 ARG HA 1 87 ARG QD 2.700 . 3.600 3.092 2.442 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
1667 1 87 ARG HA 1 87 ARG HG2 2.700 . 3.600 2.701 2.162 4.175 0.575 13 1 "[ . 1 + . 2 . 3]" 1
1668 1 87 ARG HA 1 87 ARG HG3 3.000 . 4.100 3.304 2.154 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
1669 1 87 ARG HA 1 88 LEU H 2.400 . 3.100 2.282 2.158 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
1670 1 87 ARG HB2 1 87 ARG QD 2.100 . 2.700 2.823 1.967 3.242 0.542 9 4 "[ .* +1 *. - 2 . 3]" 1
1671 1 87 ARG QD 1 87 ARG HG2 2.600 . 3.400 2.276 2.138 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
1672 1 87 ARG QD 1 87 ARG HG3 2.500 . 3.300 2.401 2.141 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
1673 1 88 LEU H 1 88 LEU HB2 2.600 . 3.400 2.835 2.179 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
1674 1 88 LEU H 1 88 LEU QD 3.200 . 4.000 2.403 2.203 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
1675 1 88 LEU H 1 89 MET H 4.000 . 5.000 4.045 3.878 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
1676 1 88 LEU HA 1 88 LEU HB3 2.200 . 2.800 2.373 2.208 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
1677 1 88 LEU HA 1 88 LEU QD 2.500 . 2.500 2.522 2.437 2.597 0.097 13 0 "[ . 1 . 2 . 3]" 1
1678 1 88 LEU HA 1 89 MET H 2.000 . 2.500 2.271 2.177 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
1679 1 88 LEU HA 1 89 MET HB2 2.700 . 5.500 5.067 4.384 5.895 0.395 12 0 "[ . 1 . 2 . 3]" 1
1680 1 88 LEU HB2 1 88 LEU QD 1.800 . 2.200 2.079 2.020 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
1681 1 88 LEU HB3 1 88 LEU QD 2.000 . 5.500 2.151 2.078 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
1682 1 88 LEU HB3 1 89 MET H 3.000 . 4.100 4.111 3.971 4.151 0.051 14 0 "[ . 1 . 2 . 3]" 1
1683 1 88 LEU HB3 1 89 MET HA 2.600 . 5.500 5.180 4.564 5.533 0.033 16 0 "[ . 1 . 2 . 3]" 1
1684 1 88 LEU QD 1 89 MET H 2.600 . 5.500 4.293 4.222 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
1685 1 89 MET H 1 89 MET HA 2.400 . 3.100 2.917 2.903 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
1686 1 89 MET H 1 89 MET HB2 2.500 . 3.300 2.848 2.189 3.660 0.360 22 0 "[ . 1 . 2 . 3]" 1
1687 1 89 MET H 1 89 MET HB3 3.200 . 4.000 3.265 2.242 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
1688 1 89 MET H 1 89 MET ME 3.200 . 4.000 3.473 2.085 4.052 0.052 23 0 "[ . 1 . 2 . 3]" 1
1689 1 89 MET H 1 89 MET HG2 3.200 . 4.000 3.244 1.786 4.676 0.676 28 8 "[ . * 1 * . * - * .**+ 3]" 1
1690 1 89 MET H 1 89 MET HG3 3.400 . 4.800 3.148 1.872 4.206 0.128 11 0 "[ . 1 . 2 . 3]" 1
1691 1 89 MET HA 1 89 MET HB2 2.400 . 3.100 2.787 2.337 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
1692 1 89 MET HA 1 89 MET HB3 2.800 . 3.800 2.536 2.284 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
1693 1 89 MET HA 1 89 MET ME 3.200 . 4.000 3.563 2.166 4.085 0.085 1 0 "[ . 1 . 2 . 3]" 1
1694 1 89 MET HA 1 89 MET HG2 2.800 . 3.800 3.201 2.636 3.955 0.155 11 0 "[ . 1 . 2 . 3]" 1
1695 1 89 MET HA 1 89 MET HG3 3.200 . 4.000 3.188 2.091 4.050 0.050 22 0 "[ . 1 . 2 . 3]" 1
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