NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424290 |
2fqh   |
6812 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fqh
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 1091
_Distance_constraint_stats_list.Viol_count 838
_Distance_constraint_stats_list.Viol_total 4119.847
_Distance_constraint_stats_list.Viol_max 1.201
_Distance_constraint_stats_list.Viol_rms 0.0616
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.2458
_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 0.239 0.195 2 0 "[ . 1 . 2]"
1 2 SER 0.988 0.239 17 0 "[ . 1 . 2]"
1 3 GLU 0.368 0.206 12 0 "[ . 1 . 2]"
1 4 VAL 4.731 0.503 9 1 "[ . +1 . 2]"
1 5 ASN 1.294 0.381 18 0 "[ . 1 . 2]"
1 6 ILE 6.534 0.577 12 2 "[ . 1 + . - 2]"
1 7 VAL 7.105 0.981 7 2 "[ . + 1 -. 2]"
1 8 VAL 9.585 0.909 17 6 "[ *. * 1 - * + *2]"
1 9 ASN 10.533 0.729 13 7 "[ * .- * 1 + .* * *]"
1 10 GLY 6.158 0.664 11 1 "[ . 1+ . 2]"
1 11 ARG 0.323 0.145 7 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 1.025 0.328 20 0 "[ . 1 . 2]"
1 14 GLY 1.525 0.323 4 0 "[ . 1 . 2]"
1 15 SER 2.253 0.323 4 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 6.580 0.634 7 2 "[ . + 1 - . 2]"
1 18 LYS 2.555 0.849 7 1 "[ . + 1 . 2]"
1 19 GLY 3.252 0.823 7 3 "[ - + 1 .* 2]"
1 20 CYS 3.131 0.305 18 0 "[ . 1 . 2]"
1 21 ALA 13.874 0.988 5 4 "[ * + 1 - * 2]"
1 22 LEU 4.995 0.751 18 4 "[ . - * * + 2]"
1 23 CYS 0.367 0.367 18 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 3.252 0.823 7 3 "[ - + 1 .* 2]"
1 26 THR 1.086 0.290 7 0 "[ . 1 . 2]"
1 27 TRP 0.480 0.181 16 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.008 0.008 7 0 "[ . 1 . 2]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 HIS 10.127 0.970 1 7 "[+ * .* -1 * . * *2]"
1 32 ALA 11.769 1.201 3 6 "[* + .* 1 - . ** 2]"
1 33 ASP 3.461 0.418 6 0 "[ . 1 . 2]"
1 34 PHE 9.100 0.813 2 4 "[ + .* *1 . -2]"
1 35 LEU 11.732 1.149 2 6 "[ + * * - *. * 2]"
1 36 GLY 5.123 0.933 19 6 "[ * . *- .** +2]"
1 37 GLU 2.386 0.426 11 0 "[ . 1 . 2]"
1 38 ASP 10.053 0.988 5 3 "[ + * 1 - . 2]"
1 39 LEU 10.566 0.849 7 5 "[ . + -1 ** . * 2]"
1 40 PHE 7.564 0.515 13 1 "[ . 1 + . 2]"
1 41 PHE 15.107 1.201 3 6 "[* + .- 1 . ***2]"
1 42 CYS 3.240 0.403 12 0 "[ . 1 . 2]"
1 43 CYS 0.117 0.096 1 0 "[ . 1 . 2]"
1 44 ASP 0.367 0.115 6 0 "[ . 1 . 2]"
1 45 ILE 0.808 0.215 15 0 "[ . 1 . 2]"
1 46 CYS 1.943 0.367 18 0 "[ . 1 . 2]"
1 47 ALA 0.411 0.192 3 0 "[ . 1 . 2]"
1 48 ALA 6.988 0.751 18 4 "[ . - * * + 2]"
1 49 GLU 5.854 0.588 15 2 "[ - . 1 + 2]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 MET 0.048 0.048 17 0 "[ . 1 . 2]"
1 52 ASN 1.150 0.305 16 0 "[ . 1 . 2]"
1 53 MET 10.458 0.738 10 7 "[ *. + * .* -**]"
1 54 MET 0.212 0.097 6 0 "[ . 1 . 2]"
1 55 ASP 0.412 0.233 16 0 "[ . 1 . 2]"
1 56 GLU 9.161 1.036 5 8 "[ - + ** *.** *2]"
1 57 ALA 0.302 0.290 6 0 "[ . 1 . 2]"
1 58 PHE 0.212 0.097 6 0 "[ . 1 . 2]"
1 59 LYS 8.438 1.149 2 6 "[ + .* *** . -2]"
1 60 HIS 1.718 0.699 9 1 "[ . +1 . 2]"
1 61 THR 0.793 0.699 9 1 "[ . +1 . 2]"
1 62 ALA 0.762 0.342 14 0 "[ . 1 . 2]"
1 63 ARG 12.108 0.909 17 6 "[ *. * 1 - * + *2]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASN 2.307 0.361 9 0 "[ . 1 . 2]"
1 66 VAL 3.925 0.361 9 0 "[ . 1 . 2]"
1 67 ASP 4.596 0.664 11 1 "[ . 1+ . 2]"
1 68 GLU 4.036 1.109 6 1 "[ .+ 1 . 2]"
1 69 LEU 6.742 1.109 6 3 "[ .+ 1* . -]"
1 70 HIS 12.582 0.759 6 4 "[ .+ * 1 -. *]"
1 71 ILE 10.814 0.869 15 5 "[ * . 1 +* - *]"
1 72 ASP 0.351 0.351 13 0 "[ . 1 . 2]"
1 73 GLY 1.079 0.810 2 1 "[ + . 1 . 2]"
1 74 ASN 1.872 0.371 10 0 "[ . 1 . 2]"
1 75 TYR 0.551 0.239 17 0 "[ . 1 . 2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 14.380 0.738 10 7 "[ *. + * .* **-]"
1 78 GLY 0.702 0.298 10 0 "[ . 1 . 2]"
1 79 ARG 4.187 0.526 12 2 "[ . 1 + . -]"
1 80 ASN 4.088 0.503 9 1 "[ . +1 . 2]"
1 81 VAL 4.380 0.535 3 1 "[ + . 1 . 2]"
1 82 LEU 3.267 0.535 3 1 "[ + . 1 . 2]"
1 83 LEU 3.119 0.299 19 0 "[ . 1 . 2]"
1 84 LYS 1.574 0.577 12 1 "[ . 1 + . 2]"
1 85 ASN 2.442 0.400 10 0 "[ . 1 . 2]"
1 86 GLY 1.068 0.229 13 0 "[ . 1 . 2]"
1 87 GLU 8.751 0.729 13 7 "[ * .- * 1 + .* * *]"
1 88 ASP 1.205 0.737 20 1 "[ . 1 . +]"
1 89 ARG 2.770 0.489 13 0 "[ . 1 . 2]"
1 90 LEU 3.183 0.489 13 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 TYR 0.811 0.153 4 0 "[ . 1 . 2]"
1 94 VAL 1.236 0.433 17 0 "[ . 1 . 2]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PHE 0.859 0.433 17 0 "[ . 1 . 2]"
1 97 GLY 0.020 0.020 9 0 "[ . 1 . 2]"
1 98 PRO 0.283 0.190 14 0 "[ . 1 . 2]"
1 99 GLY 1.309 0.737 20 1 "[ . 1 . +]"
1 100 ALA 3.461 0.399 4 0 "[ . 1 . 2]"
1 101 VAL 11.558 0.981 7 1 "[ . + 1 . 2]"
1 102 ILE 4.864 0.446 6 0 "[ . 1 . 2]"
1 103 LYS 0.953 0.191 14 0 "[ . 1 . 2]"
1 104 GLU 1.073 0.269 7 0 "[ . 1 . 2]"
1 105 PHE 5.815 0.869 15 3 "[ . 1 +* - 2]"
1 106 LYS 3.835 0.613 17 2 "[ . 1 - + 2]"
1 107 ILE 11.036 0.759 6 5 "[ .+ * 1* *. -]"
1 108 THR 1.595 0.463 13 0 "[ . 1 . 2]"
1 109 ASP 4.576 0.613 17 2 "[ . 1 - + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 SER H . . 5.500 2.749 2.261 3.644 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 SER HA . . 5.500 4.428 4.334 4.598 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 SER HG . . 5.500 4.700 2.981 5.695 0.195 2 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 2 SER HG . . 5.500 3.110 1.960 4.301 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 3 GLU H . . 5.500 4.254 3.967 4.480 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER H 1 75 TYR HA . . 5.500 4.189 3.146 5.507 0.007 2 0 "[ . 1 . 2]" 1
7 1 2 SER HA 1 3 GLU H . . 5.500 2.236 2.215 2.297 . 0 0 "[ . 1 . 2]" 1
8 1 2 SER HA 1 3 GLU HA . . 5.500 4.383 4.358 4.414 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER HA 1 79 ARG HA . . 5.500 4.153 3.423 4.748 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER HA 1 80 ASN H . . 5.500 4.587 3.775 5.361 . 0 0 "[ . 1 . 2]" 1
11 1 2 SER HA 1 81 VAL HA . . 5.500 4.356 3.667 5.194 . 0 0 "[ . 1 . 2]" 1
12 1 2 SER HA 1 81 VAL HB . . 5.500 3.850 2.168 5.697 0.197 12 0 "[ . 1 . 2]" 1
13 1 2 SER HG 1 75 TYR HA . . 5.500 3.054 1.989 3.746 . 0 0 "[ . 1 . 2]" 1
14 1 2 SER HG 1 75 TYR QD . . 6.500 4.979 3.330 6.739 0.239 17 0 "[ . 1 . 2]" 1
15 1 2 SER HG 1 78 GLY H . . 5.500 4.409 3.301 5.444 . 0 0 "[ . 1 . 2]" 1
16 1 2 SER HG 1 79 ARG H . . 5.500 3.617 2.634 4.983 . 0 0 "[ . 1 . 2]" 1
17 1 2 SER HG 1 79 ARG HA . . 5.500 2.911 2.025 4.526 . 0 0 "[ . 1 . 2]" 1
18 1 2 SER HG 1 80 ASN H . . 5.500 4.242 3.604 5.412 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLU H 1 4 VAL H . . 5.500 4.217 4.006 4.345 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLU H 1 4 VAL HA . . 5.500 4.618 4.562 4.738 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLU H 1 4 VAL HB . . 5.500 4.979 4.515 5.521 0.021 20 0 "[ . 1 . 2]" 1
22 1 3 GLU H 1 80 ASN H . . 5.500 5.159 4.673 5.706 0.206 12 0 "[ . 1 . 2]" 1
23 1 3 GLU H 1 81 VAL HA . . 5.500 2.937 2.444 3.712 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLU H 1 81 VAL HB . . 5.500 3.227 2.207 4.964 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLU H 1 81 VAL QG . . 6.500 2.372 1.727 3.541 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLU H 1 81 VAL MG2 . . 6.500 3.230 1.737 4.806 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLU H 1 82 LEU H . . 5.500 4.665 4.112 5.376 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLU HA 1 4 VAL H . . 5.500 2.232 2.203 2.277 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU HA 1 4 VAL HA . . 5.500 4.395 4.390 4.406 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLU HA 1 4 VAL HB . . 5.500 4.357 4.029 4.911 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLU HA 1 73 GLY QA . . 6.500 2.466 2.067 3.051 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLU HA 1 74 ASN H . . 5.500 4.460 3.760 5.252 . 0 0 "[ . 1 . 2]" 1
33 1 4 VAL H 1 5 ASN H . . 5.500 4.302 4.073 4.473 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL H 1 5 ASN HA . . 5.500 4.851 4.737 4.949 . 0 0 "[ . 1 . 2]" 1
35 1 4 VAL H 1 71 ILE MD . . 6.500 4.495 2.447 6.093 . 0 0 "[ . 1 . 2]" 1
36 1 4 VAL H 1 72 ASP H . . 5.500 3.665 2.926 4.731 . 0 0 "[ . 1 . 2]" 1
37 1 4 VAL H 1 73 GLY QA . . 6.500 3.241 2.599 3.817 . 0 0 "[ . 1 . 2]" 1
38 1 4 VAL H 1 74 ASN H . . 5.500 5.364 4.398 5.871 0.371 10 0 "[ . 1 . 2]" 1
39 1 4 VAL H 1 77 LEU MD2 . . 6.500 4.724 3.165 6.023 . 0 0 "[ . 1 . 2]" 1
40 1 4 VAL HA 1 5 ASN H . . 5.500 2.196 2.182 2.255 . 0 0 "[ . 1 . 2]" 1
41 1 4 VAL HA 1 5 ASN HA . . 5.500 4.344 4.327 4.378 . 0 0 "[ . 1 . 2]" 1
42 1 4 VAL HA 1 5 ASN QD . . 6.500 4.524 3.261 6.305 . 0 0 "[ . 1 . 2]" 1
43 1 4 VAL HA 1 81 VAL HA . . 5.500 3.350 2.848 3.739 . 0 0 "[ . 1 . 2]" 1
44 1 4 VAL HA 1 82 LEU H . . 5.500 2.169 1.917 2.640 . 0 0 "[ . 1 . 2]" 1
45 1 4 VAL HB 1 5 ASN H . . 5.500 4.405 4.008 4.663 . 0 0 "[ . 1 . 2]" 1
46 1 4 VAL HB 1 52 ASN QD . . 6.500 5.087 3.266 6.805 0.305 16 0 "[ . 1 . 2]" 1
47 1 4 VAL HB 1 77 LEU QD . . 6.500 3.249 2.219 5.479 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL HB 1 77 LEU MD2 . . 6.500 3.716 2.894 6.067 . 0 0 "[ . 1 . 2]" 1
49 1 4 VAL HB 1 80 ASN H . . 5.500 5.428 4.565 6.003 0.503 9 1 "[ . +1 . 2]" 1
50 1 4 VAL HB 1 81 VAL HA . . 5.500 3.963 2.613 5.498 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL HB 1 82 LEU H . . 5.500 3.591 2.351 4.990 . 0 0 "[ . 1 . 2]" 1
52 1 4 VAL QG 1 5 ASN H . . 6.500 2.778 2.308 3.053 . 0 0 "[ . 1 . 2]" 1
53 1 4 VAL QG 1 5 ASN HA . . 6.500 3.322 3.189 3.564 . 0 0 "[ . 1 . 2]" 1
54 1 4 VAL QG 1 35 LEU QD . . 8.000 2.378 1.604 2.999 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL QG 1 52 ASN QD . . 8.000 3.158 1.667 4.750 . 0 0 "[ . 1 . 2]" 1
56 1 4 VAL QG 1 72 ASP H . . 6.500 2.793 1.905 4.284 . 0 0 "[ . 1 . 2]" 1
57 1 4 VAL QG 1 77 LEU QD . . 8.000 2.489 1.762 3.588 . 0 0 "[ . 1 . 2]" 1
58 1 4 VAL QG 1 77 LEU MD2 . . 8.000 2.892 1.766 3.853 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL MG1 1 35 LEU QD . . 8.000 2.827 1.856 4.326 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL MG1 1 52 ASN QD . . 8.000 3.994 1.850 5.940 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL MG1 1 53 MET H . . 6.500 4.892 3.952 5.642 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL MG1 1 72 ASP H . . 6.500 2.824 1.906 4.392 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL MG1 1 77 LEU MD1 . . 8.000 3.437 1.894 5.099 . 0 0 "[ . 1 . 2]" 1
64 1 4 VAL MG1 1 77 LEU QD . . 8.000 2.686 1.766 3.644 . 0 0 "[ . 1 . 2]" 1
65 1 4 VAL MG1 1 77 LEU MD2 . . 8.000 3.247 1.770 3.969 . 0 0 "[ . 1 . 2]" 1
66 1 4 VAL MG2 1 5 ASN H . . 6.500 2.987 2.324 3.919 . 0 0 "[ . 1 . 2]" 1
67 1 4 VAL MG2 1 35 LEU HA . . 6.500 4.869 3.269 6.844 0.344 20 0 "[ . 1 . 2]" 1
68 1 4 VAL MG2 1 35 LEU QD . . 8.000 2.992 1.608 5.143 . 0 0 "[ . 1 . 2]" 1
69 1 4 VAL MG2 1 52 ASN QD . . 8.000 3.459 1.895 4.996 . 0 0 "[ . 1 . 2]" 1
70 1 4 VAL MG2 1 82 LEU H . . 6.500 2.579 1.888 3.577 . 0 0 "[ . 1 . 2]" 1
71 1 4 VAL MG2 1 82 LEU MD1 . . 8.000 2.956 1.769 4.407 . 0 0 "[ . 1 . 2]" 1
72 1 5 ASN H 1 6 ILE H . . 5.500 4.214 3.977 4.357 . 0 0 "[ . 1 . 2]" 1
73 1 5 ASN H 1 6 ILE HA . . 5.500 4.765 4.611 4.960 . 0 0 "[ . 1 . 2]" 1
74 1 5 ASN H 1 6 ILE MD . . 6.500 4.344 2.334 6.615 0.115 8 0 "[ . 1 . 2]" 1
75 1 5 ASN H 1 82 LEU H . . 5.500 3.462 3.110 3.881 . 0 0 "[ . 1 . 2]" 1
76 1 5 ASN H 1 83 LEU HA . . 5.500 3.387 2.833 4.017 . 0 0 "[ . 1 . 2]" 1
77 1 5 ASN H 1 84 LYS H . . 5.500 4.283 3.769 4.700 . 0 0 "[ . 1 . 2]" 1
78 1 5 ASN HA 1 6 ILE H . . 5.500 2.271 2.252 2.324 . 0 0 "[ . 1 . 2]" 1
79 1 5 ASN HA 1 6 ILE HA . . 5.500 4.449 4.426 4.483 . 0 0 "[ . 1 . 2]" 1
80 1 5 ASN HA 1 6 ILE HB . . 5.500 4.496 4.070 5.660 0.160 5 0 "[ . 1 . 2]" 1
81 1 5 ASN HA 1 35 LEU QD . . 6.500 3.903 2.717 5.588 . 0 0 "[ . 1 . 2]" 1
82 1 5 ASN HA 1 71 ILE HA . . 5.500 3.212 2.659 5.006 . 0 0 "[ . 1 . 2]" 1
83 1 5 ASN HA 1 71 ILE HB . . 5.500 3.046 1.995 4.947 . 0 0 "[ . 1 . 2]" 1
84 1 5 ASN HA 1 71 ILE MD . . 6.500 3.834 1.762 5.245 . 0 0 "[ . 1 . 2]" 1
85 1 5 ASN HA 1 72 ASP H . . 5.500 4.437 3.611 5.851 0.351 13 0 "[ . 1 . 2]" 1
86 1 5 ASN QD 1 82 LEU H . . 6.500 5.479 4.317 6.881 0.381 18 0 "[ . 1 . 2]" 1
87 1 5 ASN QD 1 83 LEU HA . . 6.500 3.600 1.970 5.853 . 0 0 "[ . 1 . 2]" 1
88 1 5 ASN QD 1 83 LEU HG . . 6.500 4.089 1.861 6.690 0.190 16 0 "[ . 1 . 2]" 1
89 1 5 ASN QD 1 101 VAL QG . . 8.000 3.470 1.693 5.900 . 0 0 "[ . 1 . 2]" 1
90 1 6 ILE H 1 7 VAL H . . 5.500 4.212 3.983 4.400 . 0 0 "[ . 1 . 2]" 1
91 1 6 ILE H 1 35 LEU HA . . 5.500 5.361 4.501 6.045 0.545 18 1 "[ . 1 . + 2]" 1
92 1 6 ILE H 1 35 LEU QD . . 6.500 3.272 2.124 5.339 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE H 1 70 HIS H . . 5.500 4.429 3.530 5.655 0.155 13 0 "[ . 1 . 2]" 1
94 1 6 ILE H 1 71 ILE HA . . 5.500 4.354 3.714 4.910 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE H 1 71 ILE HB . . 5.500 4.409 3.353 5.973 0.473 2 0 "[ . 1 . 2]" 1
96 1 6 ILE HA 1 7 VAL H . . 5.500 2.203 2.176 2.254 . 0 0 "[ . 1 . 2]" 1
97 1 6 ILE HA 1 7 VAL HA . . 5.500 4.385 4.363 4.413 . 0 0 "[ . 1 . 2]" 1
98 1 6 ILE HA 1 7 VAL HB . . 5.500 4.571 4.278 5.633 0.133 12 0 "[ . 1 . 2]" 1
99 1 6 ILE HA 1 7 VAL MG1 . . 6.500 3.803 3.234 5.453 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE HA 1 84 LYS H . . 5.500 3.163 2.557 3.955 . 0 0 "[ . 1 . 2]" 1
101 1 6 ILE HB 1 7 VAL H . . 5.500 4.330 3.487 4.569 . 0 0 "[ . 1 . 2]" 1
102 1 6 ILE HB 1 35 LEU HA . . 5.500 2.983 1.962 4.691 . 0 0 "[ . 1 . 2]" 1
103 1 6 ILE HB 1 35 LEU QD . . 6.500 2.586 1.758 4.181 . 0 0 "[ . 1 . 2]" 1
104 1 6 ILE HB 1 35 LEU HG . . 5.500 4.459 2.710 5.927 0.427 13 0 "[ . 1 . 2]" 1
105 1 6 ILE HB 1 37 GLU H . . 5.500 5.208 4.289 5.926 0.426 11 0 "[ . 1 . 2]" 1
106 1 6 ILE MD 1 7 VAL H . . 6.500 4.116 2.331 5.221 . 0 0 "[ . 1 . 2]" 1
107 1 6 ILE MD 1 35 LEU HA . . 6.500 2.820 1.888 4.267 . 0 0 "[ . 1 . 2]" 1
108 1 6 ILE MD 1 37 GLU H . . 6.500 3.737 2.359 5.809 . 0 0 "[ . 1 . 2]" 1
109 1 6 ILE MD 1 37 GLU HA . . 6.500 4.306 2.579 6.806 0.306 12 0 "[ . 1 . 2]" 1
110 1 6 ILE MD 1 84 LYS H . . 6.500 4.246 2.244 5.667 . 0 0 "[ . 1 . 2]" 1
111 1 6 ILE MD 1 84 LYS HA . . 6.500 5.285 4.159 7.077 0.577 12 1 "[ . 1 + . 2]" 1
112 1 6 ILE MG 1 7 VAL H . . 6.500 3.352 2.432 4.332 . 0 0 "[ . 1 . 2]" 1
113 1 6 ILE MG 1 7 VAL HA . . 6.500 3.741 3.157 5.546 . 0 0 "[ . 1 . 2]" 1
114 1 6 ILE MG 1 8 VAL MG2 . . 8.000 3.304 2.272 5.070 . 0 0 "[ . 1 . 2]" 1
115 1 6 ILE MG 1 35 LEU HA . . 6.500 2.429 1.907 3.542 . 0 0 "[ . 1 . 2]" 1
116 1 6 ILE MG 1 37 GLU H . . 6.500 4.344 2.539 5.581 . 0 0 "[ . 1 . 2]" 1
117 1 6 ILE MG 1 37 GLU HA . . 6.500 4.942 3.238 6.808 0.308 2 0 "[ . 1 . 2]" 1
118 1 7 VAL H 1 8 VAL H . . 5.500 4.281 4.056 4.468 . 0 0 "[ . 1 . 2]" 1
119 1 7 VAL H 1 8 VAL HA . . 5.500 4.728 4.580 4.925 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL H 1 8 VAL MG2 . . 6.500 3.738 2.998 4.964 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL H 1 84 LYS H . . 5.500 4.405 3.774 4.984 . 0 0 "[ . 1 . 2]" 1
122 1 7 VAL H 1 85 ASN HA . . 5.500 4.380 3.704 5.322 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL H 1 86 GLY H . . 5.500 4.422 3.645 5.032 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL HA 1 8 VAL H . . 5.500 2.214 2.182 2.257 . 0 0 "[ . 1 . 2]" 1
125 1 7 VAL HA 1 8 VAL HA . . 5.500 4.387 4.371 4.413 . 0 0 "[ . 1 . 2]" 1
126 1 7 VAL HA 1 8 VAL HB . . 5.500 4.714 4.184 5.590 0.090 6 0 "[ . 1 . 2]" 1
127 1 7 VAL HA 1 69 LEU HA . . 5.500 3.965 3.567 4.565 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL HA 1 70 HIS H . . 5.500 5.014 4.381 5.580 0.080 10 0 "[ . 1 . 2]" 1
129 1 7 VAL HB 1 8 VAL H . . 5.500 4.182 3.446 4.509 . 0 0 "[ . 1 . 2]" 1
130 1 7 VAL HB 1 69 LEU HA . . 5.500 4.920 3.968 5.533 0.033 13 0 "[ . 1 . 2]" 1
131 1 7 VAL HB 1 69 LEU QD . . 6.500 3.472 1.836 5.035 . 0 0 "[ . 1 . 2]" 1
132 1 7 VAL HB 1 69 LEU HG . . 5.500 4.593 2.427 5.629 0.129 7 0 "[ . 1 . 2]" 1
133 1 7 VAL HB 1 70 HIS H . . 5.500 5.627 4.867 6.003 0.503 14 1 "[ . 1 +. 2]" 1
134 1 7 VAL HB 1 85 ASN HA . . 5.500 5.225 4.689 5.829 0.329 13 0 "[ . 1 . 2]" 1
135 1 7 VAL HB 1 86 GLY H . . 5.500 4.962 4.359 5.729 0.229 13 0 "[ . 1 . 2]" 1
136 1 7 VAL HB 1 104 GLU HA . . 5.500 4.816 2.866 5.769 0.269 7 0 "[ . 1 . 2]" 1
137 1 7 VAL QG 1 8 VAL H . . 6.500 2.618 2.159 3.515 . 0 0 "[ . 1 . 2]" 1
138 1 7 VAL QG 1 69 LEU QD . . 8.000 2.442 1.665 3.960 . 0 0 "[ . 1 . 2]" 1
139 1 7 VAL QG 1 85 ASN HA . . 6.500 2.824 2.111 5.489 . 0 0 "[ . 1 . 2]" 1
140 1 7 VAL QG 1 86 GLY H . . 6.500 2.399 1.813 5.101 . 0 0 "[ . 1 . 2]" 1
141 1 7 VAL QG 1 86 GLY QA . . 8.000 3.424 2.596 5.121 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL QG 1 101 VAL HA . . 6.500 3.920 2.535 6.173 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL MG1 1 85 ASN HA . . 6.500 3.054 2.114 6.521 0.021 7 0 "[ . 1 . 2]" 1
144 1 7 VAL MG1 1 86 GLY H . . 6.500 2.663 1.816 5.598 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL MG1 1 101 VAL HA . . 6.500 4.130 2.557 7.481 0.981 7 1 "[ . + 1 . 2]" 1
146 1 7 VAL MG2 1 8 VAL H . . 6.500 2.837 2.233 4.111 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL MG2 1 8 VAL HA . . 6.500 3.924 3.483 5.569 . 0 0 "[ . 1 . 2]" 1
148 1 7 VAL MG2 1 9 ASN H . . 6.500 4.311 3.787 6.631 0.131 7 0 "[ . 1 . 2]" 1
149 1 7 VAL MG2 1 9 ASN QD . . 8.000 3.809 1.924 5.779 . 0 0 "[ . 1 . 2]" 1
150 1 7 VAL MG2 1 69 LEU HA . . 6.500 4.228 2.154 5.647 . 0 0 "[ . 1 . 2]" 1
151 1 7 VAL MG2 1 69 LEU QD . . 8.000 2.628 1.668 4.691 . 0 0 "[ . 1 . 2]" 1
152 1 7 VAL MG2 1 69 LEU HG . . 6.500 3.591 1.975 5.089 . 0 0 "[ . 1 . 2]" 1
153 1 7 VAL MG2 1 85 ASN HA . . 6.500 4.782 2.515 5.981 . 0 0 "[ . 1 . 2]" 1
154 1 7 VAL MG2 1 86 GLY H . . 6.500 3.944 2.191 5.877 . 0 0 "[ . 1 . 2]" 1
155 1 7 VAL MG2 1 104 GLU HA . . 6.500 4.239 2.652 5.141 . 0 0 "[ . 1 . 2]" 1
156 1 8 VAL H 1 9 ASN H . . 5.500 4.192 4.015 4.400 . 0 0 "[ . 1 . 2]" 1
157 1 8 VAL H 1 9 ASN HA . . 5.500 4.651 4.479 4.792 . 0 0 "[ . 1 . 2]" 1
158 1 8 VAL H 1 69 LEU HA . . 5.500 4.908 4.356 5.517 0.017 7 0 "[ . 1 . 2]" 1
159 1 8 VAL HA 1 9 ASN H . . 5.500 2.189 2.182 2.209 . 0 0 "[ . 1 . 2]" 1
160 1 8 VAL HA 1 9 ASN HA . . 5.500 4.337 4.330 4.344 . 0 0 "[ . 1 . 2]" 1
161 1 8 VAL HA 1 12 GLU H . . 5.500 4.243 3.592 5.066 . 0 0 "[ . 1 . 2]" 1
162 1 8 VAL HA 1 86 GLY H . . 5.500 4.839 3.956 5.583 0.083 20 0 "[ . 1 . 2]" 1
163 1 8 VAL HA 1 86 GLY QA . . 6.500 3.549 3.086 3.942 . 0 0 "[ . 1 . 2]" 1
164 1 8 VAL HB 1 9 ASN H . . 5.500 4.243 3.577 4.491 . 0 0 "[ . 1 . 2]" 1
165 1 8 VAL HB 1 63 ARG H . . 5.500 5.906 5.509 6.409 0.909 17 5 "[ *. * 1 - + *2]" 1
166 1 8 VAL HB 1 63 ARG HA . . 5.500 5.263 4.545 6.018 0.518 13 1 "[ . 1 + . 2]" 1
167 1 8 VAL QG 1 9 ASN H . . 6.500 2.942 2.479 3.664 . 0 0 "[ . 1 . 2]" 1
168 1 8 VAL QG 1 11 ARG HA . . 6.500 2.638 1.867 4.053 . 0 0 "[ . 1 . 2]" 1
169 1 8 VAL QG 1 12 GLU H . . 6.500 2.408 1.794 4.378 . 0 0 "[ . 1 . 2]" 1
170 1 8 VAL MG1 1 9 ASN H . . 6.500 3.025 2.502 3.940 . 0 0 "[ . 1 . 2]" 1
171 1 8 VAL MG1 1 11 ARG H . . 6.500 3.253 2.158 5.243 . 0 0 "[ . 1 . 2]" 1
172 1 8 VAL MG1 1 11 ARG HA . . 6.500 2.693 1.870 4.533 . 0 0 "[ . 1 . 2]" 1
173 1 8 VAL MG1 1 12 GLU H . . 6.500 2.431 1.798 4.567 . 0 0 "[ . 1 . 2]" 1
174 1 8 VAL MG1 1 63 ARG HA . . 6.500 5.238 3.676 6.347 . 0 0 "[ . 1 . 2]" 1
175 1 9 ASN H 1 10 GLY H . . 5.500 4.204 4.047 4.384 . 0 0 "[ . 1 . 2]" 1
176 1 9 ASN H 1 12 GLU H . . 5.500 3.775 2.812 4.700 . 0 0 "[ . 1 . 2]" 1
177 1 9 ASN H 1 86 GLY H . . 5.500 5.300 4.644 5.647 0.147 15 0 "[ . 1 . 2]" 1
178 1 9 ASN H 1 86 GLY QA . . 6.500 3.645 3.004 4.158 . 0 0 "[ . 1 . 2]" 1
179 1 9 ASN H 1 87 GLU H . . 5.500 5.933 5.605 6.229 0.729 13 7 "[ * .- * 1 + .* * *]" 1
180 1 9 ASN HA 1 10 GLY H . . 5.500 2.256 2.252 2.266 . 0 0 "[ . 1 . 2]" 1
181 1 9 ASN HA 1 10 GLY QA . . 6.500 3.962 3.956 3.987 . 0 0 "[ . 1 . 2]" 1
182 1 9 ASN HA 1 11 ARG H . . 5.500 3.941 3.444 4.573 . 0 0 "[ . 1 . 2]" 1
183 1 9 ASN HA 1 67 ASP HA . . 5.500 5.268 4.584 5.806 0.306 13 0 "[ . 1 . 2]" 1
184 1 9 ASN QD 1 69 LEU QD . . 8.000 4.595 2.513 6.971 . 0 0 "[ . 1 . 2]" 1
185 1 9 ASN QD 1 88 ASP H . . 6.500 4.693 1.899 6.522 0.022 6 0 "[ . 1 . 2]" 1
186 1 9 ASN QD 1 99 GLY QA . . 8.000 4.418 1.922 6.684 . 0 0 "[ . 1 . 2]" 1
187 1 10 GLY H 1 11 ARG H . . 5.500 2.443 1.917 3.038 . 0 0 "[ . 1 . 2]" 1
188 1 10 GLY H 1 11 ARG HA . . 5.500 4.538 4.063 5.026 . 0 0 "[ . 1 . 2]" 1
189 1 10 GLY H 1 12 GLU H . . 5.500 4.543 4.183 4.748 . 0 0 "[ . 1 . 2]" 1
190 1 10 GLY H 1 63 ARG HA . . 5.500 5.548 4.701 5.884 0.384 20 0 "[ . 1 . 2]" 1
191 1 10 GLY H 1 67 ASP HA . . 5.500 5.613 4.906 6.164 0.664 11 1 "[ . 1+ . 2]" 1
192 1 10 GLY QA 1 11 ARG H . . 6.500 2.785 2.546 2.989 . 0 0 "[ . 1 . 2]" 1
193 1 10 GLY QA 1 12 GLU H . . 6.500 4.147 3.845 4.520 . 0 0 "[ . 1 . 2]" 1
194 1 11 ARG H 1 12 GLU H . . 5.500 3.135 2.822 3.261 . 0 0 "[ . 1 . 2]" 1
195 1 11 ARG H 1 63 ARG HA . . 5.500 5.305 4.676 5.645 0.145 7 0 "[ . 1 . 2]" 1
196 1 11 ARG HA 1 12 GLU H . . 5.500 2.643 2.604 2.753 . 0 0 "[ . 1 . 2]" 1
197 1 11 ARG HA 1 12 GLU HA . . 5.500 4.471 4.395 4.561 . 0 0 "[ . 1 . 2]" 1
198 1 12 GLU H 1 13 ALA H . . 5.500 4.496 4.381 4.622 . 0 0 "[ . 1 . 2]" 1
199 1 12 GLU HA 1 13 ALA H . . 5.500 2.284 2.202 2.409 . 0 0 "[ . 1 . 2]" 1
200 1 12 GLU HA 1 13 ALA HA . . 5.500 4.422 4.385 4.505 . 0 0 "[ . 1 . 2]" 1
201 1 13 ALA H 1 14 GLY H . . 5.500 4.414 4.296 4.518 . 0 0 "[ . 1 . 2]" 1
202 1 13 ALA HA 1 14 GLY H . . 5.500 2.389 2.250 2.656 . 0 0 "[ . 1 . 2]" 1
203 1 13 ALA HA 1 14 GLY QA . . 6.500 3.950 3.895 4.073 . 0 0 "[ . 1 . 2]" 1
204 1 13 ALA HA 1 15 SER H . . 5.500 4.170 3.421 4.842 . 0 0 "[ . 1 . 2]" 1
205 1 13 ALA HA 1 17 SER HG . . 5.500 5.172 4.159 5.828 0.328 20 0 "[ . 1 . 2]" 1
206 1 13 ALA MB 1 14 GLY H . . 6.500 2.739 2.197 3.049 . 0 0 "[ . 1 . 2]" 1
207 1 13 ALA MB 1 15 SER H . . 6.500 3.412 2.735 4.159 . 0 0 "[ . 1 . 2]" 1
208 1 13 ALA MB 1 17 SER HG . . 6.500 4.089 2.736 5.068 . 0 0 "[ . 1 . 2]" 1
209 1 14 GLY H 1 15 SER H . . 5.500 2.162 1.656 2.837 . 0 0 "[ . 1 . 2]" 1
210 1 14 GLY H 1 15 SER HA . . 5.500 4.455 4.218 4.656 . 0 0 "[ . 1 . 2]" 1
211 1 14 GLY H 1 15 SER HG . . 5.500 4.532 2.596 5.823 0.323 4 0 "[ . 1 . 2]" 1
212 1 14 GLY H 1 17 SER HG . . 5.500 4.707 3.951 5.621 0.121 20 0 "[ . 1 . 2]" 1
213 1 14 GLY QA 1 15 SER H . . 6.500 2.784 2.508 2.986 . 0 0 "[ . 1 . 2]" 1
214 1 14 GLY QA 1 15 SER HA . . 6.500 3.965 3.930 3.994 . 0 0 "[ . 1 . 2]" 1
215 1 15 SER H 1 15 SER HG . . 5.500 3.727 1.985 5.019 . 0 0 "[ . 1 . 2]" 1
216 1 15 SER H 1 16 LYS H . . 5.500 4.396 4.365 4.491 . 0 0 "[ . 1 . 2]" 1
217 1 15 SER H 1 17 SER H . . 5.500 3.844 3.549 4.151 . 0 0 "[ . 1 . 2]" 1
218 1 15 SER H 1 17 SER HG . . 5.500 4.154 3.379 5.059 . 0 0 "[ . 1 . 2]" 1
219 1 15 SER H 1 18 LYS H . . 5.500 4.551 3.918 5.480 . 0 0 "[ . 1 . 2]" 1
220 1 15 SER HA 1 16 LYS H . . 5.500 2.667 2.487 2.699 . 0 0 "[ . 1 . 2]" 1
221 1 15 SER HA 1 16 LYS HA . . 5.500 4.341 4.318 4.359 . 0 0 "[ . 1 . 2]" 1
222 1 15 SER HA 1 17 SER H . . 5.500 3.977 3.825 4.031 . 0 0 "[ . 1 . 2]" 1
223 1 15 SER HG 1 16 LYS H . . 5.500 3.593 1.897 4.649 . 0 0 "[ . 1 . 2]" 1
224 1 15 SER HG 1 17 SER H . . 5.500 2.881 1.886 4.026 . 0 0 "[ . 1 . 2]" 1
225 1 15 SER HG 1 17 SER HA . . 5.500 4.772 3.512 5.768 0.268 10 0 "[ . 1 . 2]" 1
226 1 15 SER HG 1 17 SER HG . . 5.500 3.435 1.987 5.690 0.190 16 0 "[ . 1 . 2]" 1
227 1 16 LYS H 1 17 SER H . . 5.500 2.628 2.523 2.754 . 0 0 "[ . 1 . 2]" 1
228 1 16 LYS H 1 18 LYS H . . 5.500 4.619 4.456 4.844 . 0 0 "[ . 1 . 2]" 1
229 1 16 LYS HA 1 17 SER H . . 5.500 3.229 3.129 3.431 . 0 0 "[ . 1 . 2]" 1
230 1 16 LYS HA 1 18 LYS H . . 5.500 3.160 2.907 3.528 . 0 0 "[ . 1 . 2]" 1
231 1 16 LYS HA 1 19 GLY H . . 5.500 3.815 3.521 4.132 . 0 0 "[ . 1 . 2]" 1
232 1 16 LYS HA 1 24 GLY QA . . 6.500 4.421 3.038 5.740 . 0 0 "[ . 1 . 2]" 1
233 1 17 SER H 1 17 SER HG . . 5.500 2.932 2.021 3.708 . 0 0 "[ . 1 . 2]" 1
234 1 17 SER H 1 18 LYS H . . 5.500 2.712 2.389 2.901 . 0 0 "[ . 1 . 2]" 1
235 1 17 SER H 1 19 GLY H . . 5.500 4.347 4.079 4.863 . 0 0 "[ . 1 . 2]" 1
236 1 17 SER H 1 38 ASP HA . . 5.500 5.461 4.478 6.134 0.634 7 2 "[ . + 1 - . 2]" 1
237 1 17 SER HA 1 18 LYS H . . 5.500 3.444 3.159 3.578 . 0 0 "[ . 1 . 2]" 1
238 1 17 SER HA 1 19 GLY H . . 5.500 3.600 3.209 4.399 . 0 0 "[ . 1 . 2]" 1
239 1 17 SER HA 1 24 GLY QA . . 6.500 5.043 3.765 6.250 . 0 0 "[ . 1 . 2]" 1
240 1 17 SER HA 1 38 ASP H . . 5.500 4.919 3.760 5.683 0.183 12 0 "[ . 1 . 2]" 1
241 1 17 SER HA 1 38 ASP HA . . 5.500 2.923 1.983 3.801 . 0 0 "[ . 1 . 2]" 1
242 1 17 SER HA 1 39 LEU H . . 5.500 4.732 3.827 5.960 0.460 7 0 "[ . 1 . 2]" 1
243 1 17 SER HG 1 18 LYS H . . 5.500 3.551 2.145 4.793 . 0 0 "[ . 1 . 2]" 1
244 1 17 SER HG 1 38 ASP HA . . 5.500 5.329 4.732 5.911 0.411 12 0 "[ . 1 . 2]" 1
245 1 18 LYS H 1 19 GLY H . . 5.500 2.625 2.195 2.901 . 0 0 "[ . 1 . 2]" 1
246 1 18 LYS H 1 27 TRP HA . . 5.500 4.956 4.232 5.622 0.122 5 0 "[ . 1 . 2]" 1
247 1 18 LYS H 1 38 ASP HA . . 5.500 5.325 4.880 5.616 0.116 19 0 "[ . 1 . 2]" 1
248 1 18 LYS HA 1 19 GLY H . . 5.500 3.496 3.310 3.633 . 0 0 "[ . 1 . 2]" 1
249 1 18 LYS HA 1 27 TRP HA . . 5.500 4.224 3.576 5.183 . 0 0 "[ . 1 . 2]" 1
250 1 18 LYS HA 1 28 GLY H . . 5.500 4.069 3.303 4.971 . 0 0 "[ . 1 . 2]" 1
251 1 18 LYS HA 1 38 ASP HA . . 5.500 5.191 4.305 5.703 0.203 1 0 "[ . 1 . 2]" 1
252 1 18 LYS HA 1 39 LEU H . . 5.500 4.910 4.330 5.575 0.075 6 0 "[ . 1 . 2]" 1
253 1 18 LYS HA 1 39 LEU HA . . 5.500 5.231 4.561 6.349 0.849 7 1 "[ . + 1 . 2]" 1
254 1 18 LYS HA 1 39 LEU QD . . 6.500 2.457 1.817 4.085 . 0 0 "[ . 1 . 2]" 1
255 1 18 LYS HA 1 39 LEU HG . . 5.500 4.141 2.497 5.231 . 0 0 "[ . 1 . 2]" 1
256 1 19 GLY H 1 20 CYS H . . 5.500 3.854 3.009 4.440 . 0 0 "[ . 1 . 2]" 1
257 1 19 GLY H 1 24 GLY QA . . 6.500 3.303 2.434 3.867 . 0 0 "[ . 1 . 2]" 1
258 1 19 GLY H 1 25 ALA H . . 5.500 5.435 4.019 6.323 0.823 7 3 "[ - + 1 .* 2]" 1
259 1 19 GLY H 1 27 TRP HA . . 5.500 4.444 3.862 5.220 . 0 0 "[ . 1 . 2]" 1
260 1 19 GLY H 1 38 ASP HA . . 5.500 4.791 3.915 5.441 . 0 0 "[ . 1 . 2]" 1
261 1 19 GLY H 1 39 LEU H . . 5.500 4.780 3.900 5.393 . 0 0 "[ . 1 . 2]" 1
262 1 19 GLY QA 1 20 CYS H . . 6.500 2.217 2.169 2.340 . 0 0 "[ . 1 . 2]" 1
263 1 19 GLY QA 1 20 CYS HA . . 6.500 3.954 3.921 4.042 . 0 0 "[ . 1 . 2]" 1
264 1 19 GLY QA 1 20 CYS HG . . 6.500 4.141 3.095 5.388 . 0 0 "[ . 1 . 2]" 1
265 1 19 GLY QA 1 24 GLY QA . . 8.000 1.907 1.782 1.973 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLY QA 1 25 ALA H . . 6.500 3.156 1.928 3.661 . 0 0 "[ . 1 . 2]" 1
267 1 19 GLY QA 1 26 THR H . . 6.500 2.812 2.187 3.672 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLY QA 1 26 THR HB . . 6.500 3.286 2.048 5.268 . 0 0 "[ . 1 . 2]" 1
269 1 19 GLY QA 1 27 TRP HA . . 6.500 3.761 3.026 4.553 . 0 0 "[ . 1 . 2]" 1
270 1 19 GLY QA 1 39 LEU H . . 6.500 4.469 3.830 5.167 . 0 0 "[ . 1 . 2]" 1
271 1 19 GLY QA 1 42 CYS HG . . 6.500 3.979 2.772 5.281 . 0 0 "[ . 1 . 2]" 1
272 1 20 CYS H 1 20 CYS HG . . 5.500 3.726 2.635 4.562 . 0 0 "[ . 1 . 2]" 1
273 1 20 CYS H 1 21 ALA H . . 5.500 4.478 4.378 4.565 . 0 0 "[ . 1 . 2]" 1
274 1 20 CYS H 1 22 LEU H . . 5.500 5.022 4.088 5.615 0.115 14 0 "[ . 1 . 2]" 1
275 1 20 CYS H 1 23 CYS H . . 5.500 3.926 3.161 4.457 . 0 0 "[ . 1 . 2]" 1
276 1 20 CYS H 1 24 GLY H . . 5.500 4.354 4.029 4.981 . 0 0 "[ . 1 . 2]" 1
277 1 20 CYS H 1 24 GLY QA . . 6.500 2.188 1.896 3.141 . 0 0 "[ . 1 . 2]" 1
278 1 20 CYS H 1 25 ALA H . . 5.500 3.739 2.829 4.720 . 0 0 "[ . 1 . 2]" 1
279 1 20 CYS H 1 26 THR H . . 5.500 4.328 2.946 5.790 0.290 7 0 "[ . 1 . 2]" 1
280 1 20 CYS H 1 39 LEU H . . 5.500 4.550 4.029 5.287 . 0 0 "[ . 1 . 2]" 1
281 1 20 CYS H 1 42 CYS HG . . 5.500 5.175 3.917 5.757 0.257 7 0 "[ . 1 . 2]" 1
282 1 20 CYS HA 1 21 ALA H . . 5.500 2.543 2.445 2.604 . 0 0 "[ . 1 . 2]" 1
283 1 20 CYS HA 1 21 ALA HA . . 5.500 4.320 4.309 4.335 . 0 0 "[ . 1 . 2]" 1
284 1 20 CYS HA 1 22 LEU H . . 5.500 4.442 3.966 4.872 . 0 0 "[ . 1 . 2]" 1
285 1 20 CYS HA 1 23 CYS H . . 5.500 4.850 4.511 5.016 . 0 0 "[ . 1 . 2]" 1
286 1 20 CYS HA 1 39 LEU H . . 5.500 2.574 2.176 3.705 . 0 0 "[ . 1 . 2]" 1
287 1 20 CYS HA 1 40 PHE HA . . 5.500 4.659 3.492 5.314 . 0 0 "[ . 1 . 2]" 1
288 1 20 CYS HA 1 42 CYS HG . . 5.500 4.393 2.871 5.561 0.061 1 0 "[ . 1 . 2]" 1
289 1 20 CYS HA 1 47 ALA HA . . 5.500 4.754 4.084 5.167 . 0 0 "[ . 1 . 2]" 1
290 1 20 CYS HA 1 47 ALA MB . . 6.500 2.607 1.981 3.046 . 0 0 "[ . 1 . 2]" 1
291 1 20 CYS HA 1 48 ALA H . . 5.500 5.307 4.959 5.584 0.084 7 0 "[ . 1 . 2]" 1
292 1 20 CYS HG 1 21 ALA H . . 5.500 4.680 3.983 5.248 . 0 0 "[ . 1 . 2]" 1
293 1 20 CYS HG 1 26 THR HB . . 5.500 5.032 4.038 5.707 0.207 4 0 "[ . 1 . 2]" 1
294 1 20 CYS HG 1 40 PHE HA . . 5.500 4.857 3.774 5.805 0.305 18 0 "[ . 1 . 2]" 1
295 1 20 CYS HG 1 42 CYS HG . . 5.500 2.934 1.971 4.662 . 0 0 "[ . 1 . 2]" 1
296 1 20 CYS HG 1 43 CYS H . . 5.500 3.661 3.050 4.215 . 0 0 "[ . 1 . 2]" 1
297 1 20 CYS HG 1 43 CYS HG . . 5.500 3.745 1.991 5.596 0.096 1 0 "[ . 1 . 2]" 1
298 1 20 CYS HG 1 44 ASP H . . 5.500 4.393 3.391 5.131 . 0 0 "[ . 1 . 2]" 1
299 1 20 CYS HG 1 46 CYS HG . . 5.500 5.018 3.472 5.689 0.189 19 0 "[ . 1 . 2]" 1
300 1 20 CYS HG 1 47 ALA MB . . 6.500 3.146 1.931 3.850 . 0 0 "[ . 1 . 2]" 1
301 1 21 ALA H 1 22 LEU H . . 5.500 2.634 2.417 2.865 . 0 0 "[ . 1 . 2]" 1
302 1 21 ALA H 1 23 CYS H . . 5.500 4.348 3.890 4.774 . 0 0 "[ . 1 . 2]" 1
303 1 21 ALA H 1 40 PHE HA . . 5.500 5.462 4.322 6.015 0.515 13 1 "[ . 1 + . 2]" 1
304 1 21 ALA H 1 47 ALA H . . 5.500 5.010 4.509 5.460 . 0 0 "[ . 1 . 2]" 1
305 1 21 ALA H 1 47 ALA HA . . 5.500 2.956 2.536 3.370 . 0 0 "[ . 1 . 2]" 1
306 1 21 ALA H 1 47 ALA MB . . 6.500 2.131 1.879 2.615 . 0 0 "[ . 1 . 2]" 1
307 1 21 ALA H 1 48 ALA H . . 5.500 3.870 3.589 4.036 . 0 0 "[ . 1 . 2]" 1
308 1 21 ALA H 1 49 GLU H . . 5.500 5.793 5.595 6.088 0.588 15 2 "[ - . 1 + 2]" 1
309 1 21 ALA HA 1 22 LEU H . . 5.500 3.588 3.414 3.640 . 0 0 "[ . 1 . 2]" 1
310 1 21 ALA HA 1 22 LEU HA . . 5.500 4.713 4.555 4.838 . 0 0 "[ . 1 . 2]" 1
311 1 21 ALA HA 1 38 ASP H . . 5.500 5.474 4.871 6.488 0.988 5 1 "[ + 1 . 2]" 1
312 1 21 ALA HA 1 38 ASP HA . . 5.500 3.806 2.786 5.151 . 0 0 "[ . 1 . 2]" 1
313 1 21 ALA HA 1 39 LEU H . . 5.500 4.841 4.308 5.870 0.370 7 0 "[ . 1 . 2]" 1
314 1 21 ALA HA 1 47 ALA HA . . 5.500 5.226 4.704 5.692 0.192 3 0 "[ . 1 . 2]" 1
315 1 21 ALA HA 1 48 ALA H . . 5.500 5.540 5.186 5.845 0.345 10 0 "[ . 1 . 2]" 1
316 1 21 ALA MB 1 22 LEU H . . 6.500 2.691 2.384 3.219 . 0 0 "[ . 1 . 2]" 1
317 1 21 ALA MB 1 40 PHE HA . . 6.500 5.836 4.747 6.374 . 0 0 "[ . 1 . 2]" 1
318 1 21 ALA MB 1 47 ALA HA . . 6.500 2.628 1.946 2.985 . 0 0 "[ . 1 . 2]" 1
319 1 21 ALA MB 1 47 ALA MB . . 8.000 2.972 2.594 3.479 . 0 0 "[ . 1 . 2]" 1
320 1 21 ALA MB 1 48 ALA H . . 6.500 2.966 2.711 3.471 . 0 0 "[ . 1 . 2]" 1
321 1 21 ALA MB 1 48 ALA HA . . 6.500 4.545 4.172 4.990 . 0 0 "[ . 1 . 2]" 1
322 1 21 ALA MB 1 49 GLU H . . 6.500 3.686 3.230 3.914 . 0 0 "[ . 1 . 2]" 1
323 1 22 LEU H 1 22 LEU HG . . 5.500 4.260 3.153 4.684 . 0 0 "[ . 1 . 2]" 1
324 1 22 LEU H 1 23 CYS H . . 5.500 2.655 2.066 2.974 . 0 0 "[ . 1 . 2]" 1
325 1 22 LEU H 1 23 CYS HA . . 5.500 5.020 4.707 5.242 . 0 0 "[ . 1 . 2]" 1
326 1 22 LEU H 1 46 CYS HG . . 5.500 3.764 2.823 5.234 . 0 0 "[ . 1 . 2]" 1
327 1 22 LEU H 1 47 ALA HA . . 5.500 3.847 3.476 4.532 . 0 0 "[ . 1 . 2]" 1
328 1 22 LEU H 1 47 ALA MB . . 6.500 3.768 3.210 4.109 . 0 0 "[ . 1 . 2]" 1
329 1 22 LEU H 1 48 ALA H . . 5.500 5.697 5.169 6.251 0.751 18 4 "[ . - * * + 2]" 1
330 1 22 LEU HA 1 23 CYS H . . 5.500 3.635 3.607 3.640 . 0 0 "[ . 1 . 2]" 1
331 1 22 LEU HA 1 23 CYS HA . . 5.500 4.547 4.517 4.604 . 0 0 "[ . 1 . 2]" 1
332 1 22 LEU QD 1 23 CYS H . . 6.500 3.340 2.002 4.018 . 0 0 "[ . 1 . 2]" 1
333 1 22 LEU MD1 1 23 CYS H . . 6.500 3.797 2.327 4.621 . 0 0 "[ . 1 . 2]" 1
334 1 22 LEU MD1 1 23 CYS HA . . 6.500 4.525 2.776 6.201 . 0 0 "[ . 1 . 2]" 1
335 1 22 LEU MD1 1 23 CYS HG . . 6.500 4.405 2.098 6.021 . 0 0 "[ . 1 . 2]" 1
336 1 22 LEU HG 1 23 CYS H . . 5.500 4.448 2.248 5.013 . 0 0 "[ . 1 . 2]" 1
337 1 22 LEU HG 1 46 CYS HG . . 5.500 4.726 2.273 5.618 0.118 16 0 "[ . 1 . 2]" 1
338 1 23 CYS H 1 24 GLY H . . 5.500 4.418 4.307 4.589 . 0 0 "[ . 1 . 2]" 1
339 1 23 CYS H 1 46 CYS HG . . 5.500 4.197 2.355 5.867 0.367 18 0 "[ . 1 . 2]" 1
340 1 23 CYS HA 1 24 GLY H . . 5.500 2.504 2.268 2.690 . 0 0 "[ . 1 . 2]" 1
341 1 23 CYS HA 1 24 GLY QA . . 6.500 3.959 3.921 4.013 . 0 0 "[ . 1 . 2]" 1
342 1 23 CYS HG 1 24 GLY H . . 5.500 4.194 1.970 5.462 . 0 0 "[ . 1 . 2]" 1
343 1 24 GLY H 1 25 ALA H . . 5.500 3.542 2.550 4.424 . 0 0 "[ . 1 . 2]" 1
344 1 24 GLY QA 1 25 ALA H . . 6.500 2.398 2.171 2.642 . 0 0 "[ . 1 . 2]" 1
345 1 24 GLY QA 1 25 ALA HA . . 6.500 4.010 3.979 4.053 . 0 0 "[ . 1 . 2]" 1
346 1 25 ALA H 1 26 THR H . . 5.500 2.002 1.905 2.282 . 0 0 "[ . 1 . 2]" 1
347 1 25 ALA H 1 26 THR HA . . 5.500 4.660 4.590 4.833 . 0 0 "[ . 1 . 2]" 1
348 1 25 ALA H 1 26 THR HB . . 5.500 4.338 3.902 5.431 . 0 0 "[ . 1 . 2]" 1
349 1 25 ALA HA 1 26 THR H . . 5.500 3.512 3.372 3.641 . 0 0 "[ . 1 . 2]" 1
350 1 25 ALA HA 1 26 THR HA . . 5.500 4.598 4.495 4.648 . 0 0 "[ . 1 . 2]" 1
351 1 25 ALA MB 1 26 THR H . . 6.500 2.924 2.359 3.296 . 0 0 "[ . 1 . 2]" 1
352 1 26 THR H 1 27 TRP H . . 5.500 4.542 4.428 4.607 . 0 0 "[ . 1 . 2]" 1
353 1 26 THR HA 1 27 TRP H . . 5.500 2.413 2.178 2.629 . 0 0 "[ . 1 . 2]" 1
354 1 26 THR HA 1 27 TRP HA . . 5.500 4.449 4.362 4.566 . 0 0 "[ . 1 . 2]" 1
355 1 26 THR HB 1 27 TRP H . . 5.500 3.655 2.310 4.509 . 0 0 "[ . 1 . 2]" 1
356 1 26 THR HB 1 27 TRP HA . . 5.500 4.774 4.136 5.681 0.181 16 0 "[ . 1 . 2]" 1
357 1 26 THR HB 1 42 CYS HG . . 5.500 4.075 2.407 5.220 . 0 0 "[ . 1 . 2]" 1
358 1 26 THR MG 1 27 TRP H . . 6.500 2.377 1.796 3.991 . 0 0 "[ . 1 . 2]" 1
359 1 27 TRP H 1 28 GLY H . . 5.500 4.309 3.982 4.462 . 0 0 "[ . 1 . 2]" 1
360 1 27 TRP H 1 28 GLY QA . . 6.500 4.348 4.176 4.521 . 0 0 "[ . 1 . 2]" 1
361 1 27 TRP HA 1 28 GLY H . . 5.500 2.347 2.207 2.567 . 0 0 "[ . 1 . 2]" 1
362 1 27 TRP HA 1 28 GLY QA . . 6.500 3.957 3.919 4.030 . 0 0 "[ . 1 . 2]" 1
363 1 27 TRP HA 1 39 LEU QD . . 6.500 4.121 2.983 5.471 . 0 0 "[ . 1 . 2]" 1
364 1 28 GLY H 1 29 ASP H . . 5.500 3.970 2.959 4.397 . 0 0 "[ . 1 . 2]" 1
365 1 28 GLY H 1 29 ASP HA . . 5.500 4.354 3.967 4.633 . 0 0 "[ . 1 . 2]" 1
366 1 28 GLY H 1 39 LEU QD . . 6.500 3.574 2.121 5.181 . 0 0 "[ . 1 . 2]" 1
367 1 28 GLY QA 1 29 ASP H . . 6.500 2.252 2.169 2.541 . 0 0 "[ . 1 . 2]" 1
368 1 28 GLY QA 1 29 ASP HA . . 6.500 3.977 3.914 4.173 . 0 0 "[ . 1 . 2]" 1
369 1 28 GLY QA 1 30 TYR H . . 6.500 3.271 2.804 3.762 . 0 0 "[ . 1 . 2]" 1
370 1 28 GLY QA 1 31 HIS H . . 6.500 3.727 3.071 4.404 . 0 0 "[ . 1 . 2]" 1
371 1 28 GLY QA 1 39 LEU QD . . 8.000 3.473 1.844 4.942 . 0 0 "[ . 1 . 2]" 1
372 1 29 ASP H 1 30 TYR H . . 5.500 2.229 1.903 2.806 . 0 0 "[ . 1 . 2]" 1
373 1 29 ASP H 1 30 TYR HA . . 5.500 4.746 4.358 5.330 . 0 0 "[ . 1 . 2]" 1
374 1 29 ASP H 1 31 HIS H . . 5.500 3.894 3.225 4.529 . 0 0 "[ . 1 . 2]" 1
375 1 29 ASP H 1 39 LEU QD . . 6.500 5.128 4.101 6.508 0.008 7 0 "[ . 1 . 2]" 1
376 1 29 ASP HA 1 30 TYR H . . 5.500 3.504 3.327 3.647 . 0 0 "[ . 1 . 2]" 1
377 1 29 ASP HA 1 31 HIS H . . 5.500 3.500 3.216 3.877 . 0 0 "[ . 1 . 2]" 1
378 1 29 ASP HA 1 39 LEU QD . . 6.500 4.361 2.447 5.581 . 0 0 "[ . 1 . 2]" 1
379 1 30 TYR H 1 31 HIS H . . 5.500 2.664 2.329 2.817 . 0 0 "[ . 1 . 2]" 1
380 1 30 TYR HA 1 31 HIS H . . 5.500 3.427 3.325 3.566 . 0 0 "[ . 1 . 2]" 1
381 1 30 TYR HA 1 31 HIS HA . . 5.500 4.579 4.499 4.620 . 0 0 "[ . 1 . 2]" 1
382 1 31 HIS H 1 32 ALA H . . 5.500 4.531 4.450 4.602 . 0 0 "[ . 1 . 2]" 1
383 1 31 HIS H 1 39 LEU QD . . 6.500 3.519 2.230 4.973 . 0 0 "[ . 1 . 2]" 1
384 1 31 HIS H 1 39 LEU HG . . 5.500 5.076 3.812 6.278 0.778 13 2 "[ . -1 + . 2]" 1
385 1 31 HIS HA 1 32 ALA H . . 5.500 2.555 2.323 2.673 . 0 0 "[ . 1 . 2]" 1
386 1 31 HIS HA 1 32 ALA HA . . 5.500 4.391 4.334 4.460 . 0 0 "[ . 1 . 2]" 1
387 1 31 HIS HA 1 39 LEU HG . . 5.500 5.166 4.309 5.898 0.398 3 0 "[ . 1 . 2]" 1
388 1 31 HIS HA 1 41 PHE H . . 5.500 5.841 5.008 6.470 0.970 1 5 "[+ * .* 1 . - *2]" 1
389 1 31 HIS HA 1 41 PHE QD . . 6.500 3.463 2.000 4.841 . 0 0 "[ . 1 . 2]" 1
390 1 32 ALA H 1 33 ASP H . . 5.500 4.485 4.320 4.586 . 0 0 "[ . 1 . 2]" 1
391 1 32 ALA H 1 39 LEU HA . . 5.500 5.247 4.535 5.773 0.273 3 0 "[ . 1 . 2]" 1
392 1 32 ALA H 1 39 LEU HG . . 5.500 4.191 3.123 5.699 0.199 3 0 "[ . 1 . 2]" 1
393 1 32 ALA H 1 40 PHE H . . 5.500 5.224 4.350 5.905 0.405 3 0 "[ . 1 . 2]" 1
394 1 32 ALA H 1 41 PHE H . . 5.500 4.810 3.844 5.813 0.313 1 0 "[ . 1 . 2]" 1
395 1 32 ALA H 1 41 PHE HA . . 5.500 5.725 4.721 6.701 1.201 3 5 "[* + .- 1 . ** 2]" 1
396 1 32 ALA H 1 41 PHE QD . . 6.500 3.598 1.960 5.798 . 0 0 "[ . 1 . 2]" 1
397 1 32 ALA H 1 41 PHE QR . . 6.500 3.506 1.956 5.599 . 0 0 "[ . 1 . 2]" 1
398 1 32 ALA HA 1 33 ASP H . . 5.500 2.327 2.188 2.549 . 0 0 "[ . 1 . 2]" 1
399 1 32 ALA HA 1 33 ASP HA . . 5.500 4.337 4.292 4.416 . 0 0 "[ . 1 . 2]" 1
400 1 32 ALA HA 1 39 LEU QD . . 6.500 3.705 2.969 4.903 . 0 0 "[ . 1 . 2]" 1
401 1 32 ALA HA 1 39 LEU HG . . 5.500 5.215 4.086 6.026 0.526 18 2 "[ . 1 - . + 2]" 1
402 1 32 ALA HA 1 60 HIS HA . . 5.500 5.258 4.350 5.762 0.262 14 0 "[ . 1 . 2]" 1
403 1 32 ALA MB 1 33 ASP H . . 6.500 2.880 2.432 3.330 . 0 0 "[ . 1 . 2]" 1
404 1 32 ALA MB 1 60 HIS HA . . 6.500 3.538 2.338 4.999 . 0 0 "[ . 1 . 2]" 1
405 1 33 ASP H 1 34 PHE H . . 5.500 4.517 4.307 4.614 . 0 0 "[ . 1 . 2]" 1
406 1 33 ASP H 1 34 PHE HA . . 5.500 4.964 4.547 5.215 . 0 0 "[ . 1 . 2]" 1
407 1 33 ASP H 1 39 LEU HA . . 5.500 5.545 5.338 5.918 0.418 6 0 "[ . 1 . 2]" 1
408 1 33 ASP H 1 39 LEU QD . . 6.500 3.731 2.782 4.710 . 0 0 "[ . 1 . 2]" 1
409 1 33 ASP H 1 60 HIS HA . . 5.500 4.613 3.869 5.103 . 0 0 "[ . 1 . 2]" 1
410 1 33 ASP HA 1 34 PHE H . . 5.500 2.462 2.297 2.659 . 0 0 "[ . 1 . 2]" 1
411 1 33 ASP HA 1 34 PHE HA . . 5.500 4.433 4.382 4.525 . 0 0 "[ . 1 . 2]" 1
412 1 33 ASP HA 1 38 ASP H . . 5.500 4.101 3.544 4.782 . 0 0 "[ . 1 . 2]" 1
413 1 33 ASP HA 1 38 ASP HA . . 5.500 5.408 4.598 5.813 0.313 14 0 "[ . 1 . 2]" 1
414 1 33 ASP HA 1 39 LEU H . . 5.500 5.207 4.240 5.830 0.330 18 0 "[ . 1 . 2]" 1
415 1 33 ASP HA 1 39 LEU HA . . 5.500 3.084 2.718 3.727 . 0 0 "[ . 1 . 2]" 1
416 1 33 ASP HA 1 39 LEU QD . . 6.500 2.659 1.751 3.667 . 0 0 "[ . 1 . 2]" 1
417 1 33 ASP HA 1 39 LEU HG . . 5.500 4.122 2.972 5.389 . 0 0 "[ . 1 . 2]" 1
418 1 33 ASP HA 1 40 PHE H . . 5.500 4.450 4.059 4.878 . 0 0 "[ . 1 . 2]" 1
419 1 34 PHE H 1 35 LEU H . . 5.500 4.481 4.433 4.533 . 0 0 "[ . 1 . 2]" 1
420 1 34 PHE H 1 36 GLY H . . 5.500 4.203 3.757 4.975 . 0 0 "[ . 1 . 2]" 1
421 1 34 PHE H 1 37 GLU H . . 5.500 3.922 3.431 4.595 . 0 0 "[ . 1 . 2]" 1
422 1 34 PHE H 1 37 GLU HA . . 5.500 4.072 3.425 5.401 . 0 0 "[ . 1 . 2]" 1
423 1 34 PHE H 1 38 ASP H . . 5.500 2.634 2.185 3.660 . 0 0 "[ . 1 . 2]" 1
424 1 34 PHE H 1 38 ASP HA . . 5.500 5.026 4.262 5.972 0.472 14 0 "[ . 1 . 2]" 1
425 1 34 PHE H 1 39 LEU HA . . 5.500 4.281 3.232 5.089 . 0 0 "[ . 1 . 2]" 1
426 1 34 PHE H 1 40 PHE H . . 5.500 5.377 4.853 5.935 0.435 19 0 "[ . 1 . 2]" 1
427 1 34 PHE HA 1 35 LEU H . . 5.500 2.590 2.279 2.656 . 0 0 "[ . 1 . 2]" 1
428 1 34 PHE HA 1 35 LEU HA . . 5.500 4.293 4.279 4.317 . 0 0 "[ . 1 . 2]" 1
429 1 34 PHE HA 1 35 LEU HG . . 5.500 4.988 4.179 6.313 0.813 2 1 "[ + . 1 . 2]" 1
430 1 34 PHE HA 1 36 GLY H . . 5.500 4.111 3.833 4.486 . 0 0 "[ . 1 . 2]" 1
431 1 34 PHE HA 1 37 GLU H . . 5.500 4.850 4.477 5.344 . 0 0 "[ . 1 . 2]" 1
432 1 34 PHE HA 1 56 GLU HA . . 5.500 4.647 3.796 5.739 0.239 2 0 "[ . 1 . 2]" 1
433 1 34 PHE HA 1 57 ALA HA . . 5.500 4.562 2.271 5.790 0.290 6 0 "[ . 1 . 2]" 1
434 1 34 PHE HA 1 59 LYS H . . 5.500 5.631 4.790 6.097 0.597 9 3 "[ .* +1 . -2]" 1
435 1 34 PHE HA 1 60 HIS H . . 5.500 4.538 3.660 5.496 . 0 0 "[ . 1 . 2]" 1
436 1 34 PHE QR 1 40 PHE QD . . 8.000 2.999 1.975 3.780 . 0 0 "[ . 1 . 2]" 1
437 1 34 PHE QR 1 40 PHE QR . . 8.000 2.575 1.826 3.541 . 0 0 "[ . 1 . 2]" 1
438 1 34 PHE QR 1 40 PHE QE . . 8.000 3.129 1.960 4.475 . 0 0 "[ . 1 . 2]" 1
439 1 34 PHE QR 1 48 ALA HA . . 6.500 3.445 1.970 4.883 . 0 0 "[ . 1 . 2]" 1
440 1 34 PHE QR 1 48 ALA MB . . 8.000 3.325 1.959 4.430 . 0 0 "[ . 1 . 2]" 1
441 1 34 PHE QR 1 57 ALA HA . . 6.500 2.844 1.853 4.501 . 0 0 "[ . 1 . 2]" 1
442 1 34 PHE QD 1 35 LEU H . . 6.500 3.730 2.636 4.306 . 0 0 "[ . 1 . 2]" 1
443 1 34 PHE QD 1 36 GLY H . . 6.500 3.891 1.894 4.543 . 0 0 "[ . 1 . 2]" 1
444 1 34 PHE QD 1 40 PHE QD . . 8.000 4.095 2.662 5.012 . 0 0 "[ . 1 . 2]" 1
445 1 34 PHE QD 1 40 PHE QR . . 8.000 3.695 2.250 4.824 . 0 0 "[ . 1 . 2]" 1
446 1 34 PHE QD 1 48 ALA HA . . 6.500 3.964 2.775 5.352 . 0 0 "[ . 1 . 2]" 1
447 1 34 PHE QD 1 56 GLU HA . . 6.500 4.929 4.057 5.857 . 0 0 "[ . 1 . 2]" 1
448 1 34 PHE QD 1 57 ALA HA . . 6.500 3.366 1.981 5.360 . 0 0 "[ . 1 . 2]" 1
449 1 34 PHE QE 1 40 PHE QD . . 8.000 3.277 1.987 5.350 . 0 0 "[ . 1 . 2]" 1
450 1 34 PHE QE 1 40 PHE QR . . 8.000 2.787 1.834 4.890 . 0 0 "[ . 1 . 2]" 1
451 1 34 PHE QE 1 40 PHE QE . . 8.000 3.365 1.976 5.656 . 0 0 "[ . 1 . 2]" 1
452 1 34 PHE QE 1 48 ALA HA . . 6.500 3.991 1.991 5.635 . 0 0 "[ . 1 . 2]" 1
453 1 34 PHE QE 1 48 ALA MB . . 8.000 3.519 1.970 4.754 . 0 0 "[ . 1 . 2]" 1
454 1 34 PHE QE 1 57 ALA HA . . 6.500 3.265 2.174 5.812 . 0 0 "[ . 1 . 2]" 1
455 1 34 PHE QE 1 57 ALA MB . . 8.000 3.345 1.773 5.256 . 0 0 "[ . 1 . 2]" 1
456 1 35 LEU H 1 35 LEU HG . . 5.500 2.949 1.805 4.067 . 0 0 "[ . 1 . 2]" 1
457 1 35 LEU H 1 36 GLY H . . 5.500 2.681 2.345 2.803 . 0 0 "[ . 1 . 2]" 1
458 1 35 LEU H 1 37 GLU H . . 5.500 4.278 3.875 4.690 . 0 0 "[ . 1 . 2]" 1
459 1 35 LEU H 1 56 GLU H . . 5.500 5.197 4.564 6.056 0.556 2 1 "[ + . 1 . 2]" 1
460 1 35 LEU H 1 56 GLU HA . . 5.500 3.228 2.255 4.156 . 0 0 "[ . 1 . 2]" 1
461 1 35 LEU HA 1 36 GLY H . . 5.500 3.506 3.404 3.602 . 0 0 "[ . 1 . 2]" 1
462 1 35 LEU HA 1 37 GLU H . . 5.500 3.365 3.161 3.784 . 0 0 "[ . 1 . 2]" 1
463 1 35 LEU HA 1 56 GLU HA . . 5.500 4.931 4.083 6.122 0.622 14 1 "[ . 1 +. 2]" 1
464 1 35 LEU QD 1 52 ASN QD . . 8.000 3.874 1.977 5.782 . 0 0 "[ . 1 . 2]" 1
465 1 35 LEU QD 1 53 MET H . . 6.500 4.017 2.770 5.528 . 0 0 "[ . 1 . 2]" 1
466 1 35 LEU QD 1 55 ASP H . . 6.500 5.135 4.011 6.617 0.117 2 0 "[ . 1 . 2]" 1
467 1 35 LEU QD 1 56 GLU H . . 6.500 3.468 2.451 4.607 . 0 0 "[ . 1 . 2]" 1
468 1 35 LEU QD 1 56 GLU HA . . 6.500 2.456 1.756 3.686 . 0 0 "[ . 1 . 2]" 1
469 1 35 LEU QD 1 71 ILE HA . . 6.500 3.995 3.088 6.189 . 0 0 "[ . 1 . 2]" 1
470 1 35 LEU QD 1 72 ASP H . . 6.500 4.446 3.633 6.043 . 0 0 "[ . 1 . 2]" 1
471 1 35 LEU QD 1 77 LEU MD1 . . 8.000 5.208 3.991 6.297 . 0 0 "[ . 1 . 2]" 1
472 1 35 LEU HG 1 56 GLU H . . 5.500 4.644 3.336 6.536 1.036 5 1 "[ + 1 . 2]" 1
473 1 35 LEU HG 1 56 GLU HA . . 5.500 2.769 1.972 4.080 . 0 0 "[ . 1 . 2]" 1
474 1 35 LEU HG 1 59 LYS H . . 5.500 5.477 4.421 6.649 1.149 2 3 "[ + . * - . 2]" 1
475 1 36 GLY H 1 37 GLU H . . 5.500 2.783 2.617 3.111 . 0 0 "[ . 1 . 2]" 1
476 1 36 GLY H 1 37 GLU HA . . 5.500 4.774 4.554 4.979 . 0 0 "[ . 1 . 2]" 1
477 1 36 GLY H 1 38 ASP H . . 5.500 4.138 3.474 4.637 . 0 0 "[ . 1 . 2]" 1
478 1 36 GLY H 1 56 GLU HA . . 5.500 5.469 4.038 6.433 0.933 19 6 "[ * . *- .** +2]" 1
479 1 36 GLY QA 1 37 GLU H . . 6.500 2.938 2.821 2.989 . 0 0 "[ . 1 . 2]" 1
480 1 36 GLY QA 1 38 ASP H . . 6.500 4.034 3.480 4.497 . 0 0 "[ . 1 . 2]" 1
481 1 36 GLY QA 1 80 ASN QD . . 8.000 5.145 3.333 7.173 . 0 0 "[ . 1 . 2]" 1
482 1 36 GLY QA 1 82 LEU MD1 . . 8.000 2.805 1.859 4.079 . 0 0 "[ . 1 . 2]" 1
483 1 36 GLY QA 1 82 LEU QD . . 8.000 2.490 1.856 3.737 . 0 0 "[ . 1 . 2]" 1
484 1 37 GLU H 1 38 ASP H . . 5.500 2.934 2.370 3.441 . 0 0 "[ . 1 . 2]" 1
485 1 37 GLU H 1 82 LEU MD1 . . 6.500 4.506 3.586 5.998 . 0 0 "[ . 1 . 2]" 1
486 1 37 GLU HA 1 38 ASP H . . 5.500 2.665 2.438 2.923 . 0 0 "[ . 1 . 2]" 1
487 1 37 GLU HA 1 38 ASP HA . . 5.500 4.312 4.300 4.338 . 0 0 "[ . 1 . 2]" 1
488 1 38 ASP H 1 39 LEU H . . 5.500 4.371 4.318 4.426 . 0 0 "[ . 1 . 2]" 1
489 1 38 ASP H 1 39 LEU HA . . 5.500 4.567 4.527 4.665 . 0 0 "[ . 1 . 2]" 1
490 1 38 ASP HA 1 39 LEU H . . 5.500 2.536 2.366 2.715 . 0 0 "[ . 1 . 2]" 1
491 1 38 ASP HA 1 39 LEU HA . . 5.500 4.474 4.422 4.571 . 0 0 "[ . 1 . 2]" 1
492 1 38 ASP HA 1 39 LEU QD . . 6.500 4.326 2.273 5.219 . 0 0 "[ . 1 . 2]" 1
493 1 39 LEU H 1 39 LEU HG . . 5.500 4.577 3.780 5.015 . 0 0 "[ . 1 . 2]" 1
494 1 39 LEU H 1 40 PHE H . . 5.500 4.288 4.075 4.401 . 0 0 "[ . 1 . 2]" 1
495 1 39 LEU HA 1 40 PHE H . . 5.500 2.182 2.176 2.246 . 0 0 "[ . 1 . 2]" 1
496 1 39 LEU HA 1 40 PHE HA . . 5.500 4.360 4.348 4.364 . 0 0 "[ . 1 . 2]" 1
497 1 39 LEU HA 1 41 PHE H . . 5.500 3.539 3.370 3.688 . 0 0 "[ . 1 . 2]" 1
498 1 39 LEU HA 1 42 CYS H . . 5.500 5.085 4.565 5.464 . 0 0 "[ . 1 . 2]" 1
499 1 39 LEU HG 1 40 PHE H . . 5.500 3.995 2.952 5.513 0.013 12 0 "[ . 1 . 2]" 1
500 1 39 LEU HG 1 41 PHE H . . 5.500 3.665 2.341 5.176 . 0 0 "[ . 1 . 2]" 1
501 1 39 LEU HG 1 42 CYS H . . 5.500 4.838 3.535 5.903 0.403 12 0 "[ . 1 . 2]" 1
502 1 40 PHE H 1 41 PHE H . . 5.500 2.427 2.031 2.846 . 0 0 "[ . 1 . 2]" 1
503 1 40 PHE H 1 41 PHE HA . . 5.500 4.670 4.534 4.788 . 0 0 "[ . 1 . 2]" 1
504 1 40 PHE H 1 42 CYS H . . 5.500 4.268 3.765 4.635 . 0 0 "[ . 1 . 2]" 1
505 1 40 PHE HA 1 41 PHE H . . 5.500 3.218 2.988 3.507 . 0 0 "[ . 1 . 2]" 1
506 1 40 PHE HA 1 41 PHE HA . . 5.500 4.619 4.509 4.843 . 0 0 "[ . 1 . 2]" 1
507 1 40 PHE HA 1 42 CYS H . . 5.500 3.330 3.096 3.614 . 0 0 "[ . 1 . 2]" 1
508 1 40 PHE HA 1 42 CYS HG . . 5.500 4.791 3.496 5.873 0.373 14 0 "[ . 1 . 2]" 1
509 1 40 PHE HA 1 43 CYS H . . 5.500 3.499 3.082 4.166 . 0 0 "[ . 1 . 2]" 1
510 1 40 PHE HA 1 44 ASP H . . 5.500 2.671 2.166 3.462 . 0 0 "[ . 1 . 2]" 1
511 1 40 PHE HA 1 44 ASP HA . . 5.500 2.804 2.235 3.778 . 0 0 "[ . 1 . 2]" 1
512 1 40 PHE HA 1 47 ALA H . . 5.500 4.635 4.191 4.913 . 0 0 "[ . 1 . 2]" 1
513 1 40 PHE HA 1 47 ALA HA . . 5.500 5.119 4.572 5.514 0.014 6 0 "[ . 1 . 2]" 1
514 1 40 PHE HA 1 47 ALA MB . . 6.500 2.277 1.883 2.691 . 0 0 "[ . 1 . 2]" 1
515 1 40 PHE HA 1 48 ALA H . . 5.500 4.517 3.548 4.877 . 0 0 "[ . 1 . 2]" 1
516 1 40 PHE HA 1 48 ALA HA . . 5.500 5.271 4.073 5.590 0.090 20 0 "[ . 1 . 2]" 1
517 1 40 PHE HA 1 48 ALA MB . . 6.500 3.555 2.967 4.016 . 0 0 "[ . 1 . 2]" 1
518 1 40 PHE QR 1 41 PHE H . . 6.500 3.293 2.314 4.125 . 0 0 "[ . 1 . 2]" 1
519 1 40 PHE QR 1 41 PHE HA . . 6.500 3.559 2.840 3.996 . 0 0 "[ . 1 . 2]" 1
520 1 40 PHE QR 1 41 PHE QD . . 8.000 3.056 1.937 5.309 . 0 0 "[ . 1 . 2]" 1
521 1 40 PHE QR 1 41 PHE QR . . 8.000 2.937 1.842 5.157 . 0 0 "[ . 1 . 2]" 1
522 1 40 PHE QR 1 48 ALA HA . . 6.500 4.264 2.380 4.948 . 0 0 "[ . 1 . 2]" 1
523 1 40 PHE QR 1 48 ALA MB . . 8.000 2.605 1.772 3.075 . 0 0 "[ . 1 . 2]" 1
524 1 40 PHE QD 1 41 PHE H . . 6.500 3.364 2.325 4.264 . 0 0 "[ . 1 . 2]" 1
525 1 40 PHE QD 1 41 PHE HA . . 6.500 3.786 2.933 4.305 . 0 0 "[ . 1 . 2]" 1
526 1 40 PHE QD 1 44 ASP HA . . 6.500 3.476 2.200 4.617 . 0 0 "[ . 1 . 2]" 1
527 1 40 PHE QD 1 48 ALA H . . 6.500 5.048 1.917 5.803 . 0 0 "[ . 1 . 2]" 1
528 1 40 PHE QD 1 48 ALA HA . . 6.500 4.363 2.441 5.052 . 0 0 "[ . 1 . 2]" 1
529 1 40 PHE QD 1 48 ALA MB . . 8.000 2.639 1.777 3.130 . 0 0 "[ . 1 . 2]" 1
530 1 40 PHE QE 1 41 PHE H . . 6.500 4.830 4.086 5.518 . 0 0 "[ . 1 . 2]" 1
531 1 40 PHE QE 1 41 PHE HA . . 6.500 4.402 3.626 6.095 . 0 0 "[ . 1 . 2]" 1
532 1 40 PHE QE 1 41 PHE QD . . 8.000 3.328 1.996 6.404 . 0 0 "[ . 1 . 2]" 1
533 1 40 PHE QE 1 41 PHE QR . . 8.000 3.176 1.885 6.199 . 0 0 "[ . 1 . 2]" 1
534 1 40 PHE QE 1 41 PHE QE . . 8.000 4.233 2.217 8.270 0.270 1 0 "[ . 1 . 2]" 1
535 1 40 PHE QE 1 48 ALA MB . . 8.000 4.124 3.467 4.512 . 0 0 "[ . 1 . 2]" 1
536 1 41 PHE H 1 42 CYS H . . 5.500 2.350 2.057 2.772 . 0 0 "[ . 1 . 2]" 1
537 1 41 PHE HA 1 42 CYS H . . 5.500 3.351 3.322 3.449 . 0 0 "[ . 1 . 2]" 1
538 1 41 PHE HA 1 42 CYS HA . . 5.500 4.596 4.534 4.776 . 0 0 "[ . 1 . 2]" 1
539 1 41 PHE HA 1 43 CYS H . . 5.500 4.902 4.668 5.079 . 0 0 "[ . 1 . 2]" 1
540 1 41 PHE HA 1 44 ASP H . . 5.500 5.212 4.452 5.545 0.045 1 0 "[ . 1 . 2]" 1
541 1 41 PHE HA 1 44 ASP HA . . 5.500 5.196 4.406 5.573 0.073 18 0 "[ . 1 . 2]" 1
542 1 42 CYS H 1 42 CYS HG . . 5.500 3.244 1.941 4.212 . 0 0 "[ . 1 . 2]" 1
543 1 42 CYS H 1 43 CYS H . . 5.500 2.311 2.037 2.730 . 0 0 "[ . 1 . 2]" 1
544 1 42 CYS H 1 44 ASP H . . 5.500 3.682 3.398 4.240 . 0 0 "[ . 1 . 2]" 1
545 1 42 CYS H 1 47 ALA MB . . 6.500 4.549 4.181 4.775 . 0 0 "[ . 1 . 2]" 1
546 1 42 CYS HA 1 43 CYS H . . 5.500 3.643 3.626 3.649 . 0 0 "[ . 1 . 2]" 1
547 1 42 CYS HA 1 43 CYS HA . . 5.500 4.563 4.559 4.571 . 0 0 "[ . 1 . 2]" 1
548 1 42 CYS HG 1 43 CYS H . . 5.500 2.923 1.935 3.835 . 0 0 "[ . 1 . 2]" 1
549 1 42 CYS HG 1 43 CYS HG . . 5.500 4.227 1.989 5.521 0.021 3 0 "[ . 1 . 2]" 1
550 1 42 CYS HG 1 44 ASP H . . 5.500 4.635 3.618 5.615 0.115 6 0 "[ . 1 . 2]" 1
551 1 42 CYS HG 1 47 ALA MB . . 6.500 4.472 3.427 5.322 . 0 0 "[ . 1 . 2]" 1
552 1 43 CYS H 1 43 CYS HG . . 5.500 3.623 1.930 5.055 . 0 0 "[ . 1 . 2]" 1
553 1 43 CYS H 1 44 ASP H . . 5.500 2.210 2.014 2.265 . 0 0 "[ . 1 . 2]" 1
554 1 43 CYS H 1 44 ASP HA . . 5.500 4.197 4.101 4.278 . 0 0 "[ . 1 . 2]" 1
555 1 43 CYS H 1 45 ILE H . . 5.500 4.254 4.056 4.328 . 0 0 "[ . 1 . 2]" 1
556 1 43 CYS H 1 47 ALA MB . . 6.500 3.730 3.342 3.964 . 0 0 "[ . 1 . 2]" 1
557 1 43 CYS HA 1 44 ASP H . . 5.500 3.644 3.622 3.649 . 0 0 "[ . 1 . 2]" 1
558 1 43 CYS HA 1 45 ILE H . . 5.500 3.920 3.762 4.094 . 0 0 "[ . 1 . 2]" 1
559 1 44 ASP H 1 45 ILE H . . 5.500 2.595 2.440 2.712 . 0 0 "[ . 1 . 2]" 1
560 1 44 ASP H 1 45 ILE HB . . 5.500 4.768 4.475 5.057 . 0 0 "[ . 1 . 2]" 1
561 1 44 ASP H 1 46 CYS H . . 5.500 4.337 4.003 4.554 . 0 0 "[ . 1 . 2]" 1
562 1 44 ASP H 1 47 ALA H . . 5.500 3.471 3.265 3.652 . 0 0 "[ . 1 . 2]" 1
563 1 44 ASP H 1 47 ALA MB . . 6.500 2.591 2.370 2.876 . 0 0 "[ . 1 . 2]" 1
564 1 44 ASP HA 1 45 ILE H . . 5.500 3.162 3.114 3.171 . 0 0 "[ . 1 . 2]" 1
565 1 44 ASP HA 1 45 ILE HA . . 5.500 4.589 4.582 4.594 . 0 0 "[ . 1 . 2]" 1
566 1 44 ASP HA 1 47 ALA H . . 5.500 3.616 3.506 3.707 . 0 0 "[ . 1 . 2]" 1
567 1 44 ASP HA 1 47 ALA MB . . 6.500 2.961 2.773 3.200 . 0 0 "[ . 1 . 2]" 1
568 1 44 ASP HA 1 48 ALA MB . . 6.500 2.806 2.650 3.009 . 0 0 "[ . 1 . 2]" 1
569 1 45 ILE H 1 46 CYS H . . 5.500 2.351 2.218 2.392 . 0 0 "[ . 1 . 2]" 1
570 1 45 ILE H 1 46 CYS HA . . 5.500 4.811 4.761 4.849 . 0 0 "[ . 1 . 2]" 1
571 1 45 ILE H 1 47 ALA H . . 5.500 2.644 2.601 2.705 . 0 0 "[ . 1 . 2]" 1
572 1 45 ILE H 1 47 ALA MB . . 6.500 3.548 3.408 3.809 . 0 0 "[ . 1 . 2]" 1
573 1 45 ILE HA 1 46 CYS H . . 5.500 3.638 3.630 3.640 . 0 0 "[ . 1 . 2]" 1
574 1 45 ILE HA 1 46 CYS HA . . 5.500 4.563 4.548 4.587 . 0 0 "[ . 1 . 2]" 1
575 1 45 ILE HA 1 47 ALA H . . 5.500 4.226 4.144 4.372 . 0 0 "[ . 1 . 2]" 1
576 1 45 ILE HB 1 46 CYS H . . 5.500 2.778 2.320 3.844 . 0 0 "[ . 1 . 2]" 1
577 1 45 ILE HB 1 46 CYS HA . . 5.500 5.013 4.583 5.715 0.215 15 0 "[ . 1 . 2]" 1
578 1 45 ILE HB 1 47 ALA H . . 5.500 4.386 4.079 5.223 . 0 0 "[ . 1 . 2]" 1
579 1 45 ILE MG 1 46 CYS H . . 6.500 2.395 1.721 3.036 . 0 0 "[ . 1 . 2]" 1
580 1 45 ILE MG 1 46 CYS HA . . 6.500 3.293 3.057 3.710 . 0 0 "[ . 1 . 2]" 1
581 1 46 CYS H 1 46 CYS HG . . 5.500 3.345 2.034 4.686 . 0 0 "[ . 1 . 2]" 1
582 1 46 CYS H 1 47 ALA H . . 5.500 2.169 2.042 2.242 . 0 0 "[ . 1 . 2]" 1
583 1 46 CYS H 1 47 ALA HA . . 5.500 4.754 4.678 4.852 . 0 0 "[ . 1 . 2]" 1
584 1 46 CYS H 1 47 ALA MB . . 6.500 3.703 3.554 3.835 . 0 0 "[ . 1 . 2]" 1
585 1 46 CYS HA 1 47 ALA H . . 5.500 3.422 3.409 3.465 . 0 0 "[ . 1 . 2]" 1
586 1 46 CYS HA 1 47 ALA HA . . 5.500 4.616 4.614 4.619 . 0 0 "[ . 1 . 2]" 1
587 1 46 CYS HG 1 47 ALA H . . 5.500 3.619 2.422 4.854 . 0 0 "[ . 1 . 2]" 1
588 1 46 CYS HG 1 47 ALA HA . . 5.500 4.108 3.308 5.538 0.038 19 0 "[ . 1 . 2]" 1
589 1 47 ALA H 1 48 ALA H . . 5.500 4.538 4.532 4.554 . 0 0 "[ . 1 . 2]" 1
590 1 47 ALA HA 1 48 ALA H . . 5.500 2.527 2.479 2.539 . 0 0 "[ . 1 . 2]" 1
591 1 47 ALA HA 1 48 ALA HA . . 5.500 4.594 4.547 4.614 . 0 0 "[ . 1 . 2]" 1
592 1 47 ALA HA 1 49 GLU H . . 5.500 4.216 4.052 4.270 . 0 0 "[ . 1 . 2]" 1
593 1 47 ALA MB 1 48 ALA H . . 6.500 2.452 2.328 2.626 . 0 0 "[ . 1 . 2]" 1
594 1 48 ALA H 1 49 GLU H . . 5.500 2.723 2.661 2.876 . 0 0 "[ . 1 . 2]" 1
595 1 48 ALA HA 1 49 GLU H . . 5.500 2.545 2.534 2.591 . 0 0 "[ . 1 . 2]" 1
596 1 48 ALA HA 1 49 GLU HA . . 5.500 4.497 4.482 4.511 . 0 0 "[ . 1 . 2]" 1
597 1 48 ALA MB 1 49 GLU H . . 6.500 3.787 3.785 3.791 . 0 0 "[ . 1 . 2]" 1
598 1 49 GLU H 1 50 PHE H . . 5.500 4.610 4.560 4.626 . 0 0 "[ . 1 . 2]" 1
599 1 49 GLU HA 1 50 PHE H . . 5.500 2.321 2.231 2.396 . 0 0 "[ . 1 . 2]" 1
600 1 49 GLU HA 1 50 PHE HA . . 5.500 4.325 4.311 4.347 . 0 0 "[ . 1 . 2]" 1
601 1 49 GLU HA 1 51 MET H . . 5.500 3.728 3.557 3.815 . 0 0 "[ . 1 . 2]" 1
602 1 50 PHE H 1 51 MET H . . 5.500 2.591 2.417 2.660 . 0 0 "[ . 1 . 2]" 1
603 1 50 PHE H 1 51 MET HA . . 5.500 4.805 4.580 4.892 . 0 0 "[ . 1 . 2]" 1
604 1 50 PHE H 1 52 ASN H . . 5.500 4.547 4.310 4.809 . 0 0 "[ . 1 . 2]" 1
605 1 50 PHE HA 1 51 MET H . . 5.500 3.333 3.301 3.476 . 0 0 "[ . 1 . 2]" 1
606 1 50 PHE HA 1 52 ASN H . . 5.500 3.257 3.036 3.631 . 0 0 "[ . 1 . 2]" 1
607 1 51 MET H 1 52 ASN H . . 5.500 2.720 2.567 2.854 . 0 0 "[ . 1 . 2]" 1
608 1 51 MET HA 1 52 ASN H . . 5.500 3.460 3.320 3.573 . 0 0 "[ . 1 . 2]" 1
609 1 51 MET HA 1 52 ASN HA . . 5.500 4.582 4.517 4.644 . 0 0 "[ . 1 . 2]" 1
610 1 51 MET HA 1 78 GLY QA . . 6.500 5.025 3.549 6.548 0.048 17 0 "[ . 1 . 2]" 1
611 1 51 MET ME 1 78 GLY QA . . 8.000 4.674 1.925 6.739 . 0 0 "[ . 1 . 2]" 1
612 1 52 ASN H 1 53 MET H . . 5.500 4.490 4.419 4.575 . 0 0 "[ . 1 . 2]" 1
613 1 52 ASN HA 1 53 MET H . . 5.500 2.688 2.482 2.775 . 0 0 "[ . 1 . 2]" 1
614 1 52 ASN HA 1 53 MET HA . . 5.500 4.358 4.341 4.409 . 0 0 "[ . 1 . 2]" 1
615 1 52 ASN HA 1 77 LEU MD1 . . 6.500 4.619 3.062 5.910 . 0 0 "[ . 1 . 2]" 1
616 1 52 ASN HA 1 77 LEU QD . . 6.500 3.527 2.768 4.634 . 0 0 "[ . 1 . 2]" 1
617 1 52 ASN HA 1 77 LEU MD2 . . 6.500 3.823 2.829 5.002 . 0 0 "[ . 1 . 2]" 1
618 1 52 ASN HA 1 77 LEU HG . . 5.500 4.451 3.259 5.543 0.043 17 0 "[ . 1 . 2]" 1
619 1 52 ASN HA 1 78 GLY QA . . 6.500 6.203 5.471 6.798 0.298 10 0 "[ . 1 . 2]" 1
620 1 52 ASN QD 1 53 MET H . . 6.500 3.484 1.997 4.711 . 0 0 "[ . 1 . 2]" 1
621 1 52 ASN QD 1 77 LEU MD1 . . 8.000 5.140 3.849 6.476 . 0 0 "[ . 1 . 2]" 1
622 1 52 ASN QD 1 77 LEU QD . . 8.000 3.968 2.480 4.925 . 0 0 "[ . 1 . 2]" 1
623 1 52 ASN QD 1 77 LEU MD2 . . 8.000 4.258 2.511 6.418 . 0 0 "[ . 1 . 2]" 1
624 1 52 ASN QD 1 77 LEU HG . . 6.500 5.628 4.226 6.638 0.138 2 0 "[ . 1 . 2]" 1
625 1 53 MET H 1 54 MET H . . 5.500 4.601 4.543 4.627 . 0 0 "[ . 1 . 2]" 1
626 1 53 MET H 1 55 ASP H . . 5.500 5.194 4.650 5.733 0.233 16 0 "[ . 1 . 2]" 1
627 1 53 MET H 1 56 GLU H . . 5.500 4.058 3.780 4.321 . 0 0 "[ . 1 . 2]" 1
628 1 53 MET H 1 77 LEU MD1 . . 6.500 4.745 3.918 5.300 . 0 0 "[ . 1 . 2]" 1
629 1 53 MET H 1 77 LEU QD . . 6.500 4.171 3.649 4.498 . 0 0 "[ . 1 . 2]" 1
630 1 53 MET H 1 77 LEU HG . . 5.500 5.283 4.881 5.686 0.186 10 0 "[ . 1 . 2]" 1
631 1 53 MET HA 1 54 MET H . . 5.500 2.442 2.317 2.596 . 0 0 "[ . 1 . 2]" 1
632 1 53 MET HA 1 54 MET HA . . 5.500 4.263 4.254 4.277 . 0 0 "[ . 1 . 2]" 1
633 1 53 MET HA 1 55 ASP H . . 5.500 4.353 4.093 4.667 . 0 0 "[ . 1 . 2]" 1
634 1 53 MET HA 1 56 GLU H . . 5.500 4.763 4.600 4.879 . 0 0 "[ . 1 . 2]" 1
635 1 53 MET HA 1 77 LEU MD1 . . 6.500 5.390 4.036 6.287 . 0 0 "[ . 1 . 2]" 1
636 1 53 MET HA 1 77 LEU HG . . 5.500 5.970 5.699 6.238 0.738 10 7 "[ *. + * .* -**]" 1
637 1 53 MET ME 1 74 ASN QD . . 8.000 5.200 1.979 8.160 0.160 19 0 "[ . 1 . 2]" 1
638 1 53 MET ME 1 77 LEU HA . . 6.500 4.555 2.536 6.286 . 0 0 "[ . 1 . 2]" 1
639 1 53 MET ME 1 77 LEU MD1 . . 8.000 3.169 1.743 4.348 . 0 0 "[ . 1 . 2]" 1
640 1 54 MET H 1 54 MET ME . . 6.500 4.257 2.506 5.584 . 0 0 "[ . 1 . 2]" 1
641 1 54 MET H 1 55 ASP H . . 5.500 2.713 2.631 2.841 . 0 0 "[ . 1 . 2]" 1
642 1 54 MET H 1 56 GLU H . . 5.500 4.216 3.975 4.359 . 0 0 "[ . 1 . 2]" 1
643 1 54 MET HA 1 55 ASP H . . 5.500 3.592 3.574 3.636 . 0 0 "[ . 1 . 2]" 1
644 1 54 MET HA 1 56 GLU H . . 5.500 3.829 3.740 4.054 . 0 0 "[ . 1 . 2]" 1
645 1 54 MET HA 1 57 ALA H . . 5.500 3.496 3.292 3.599 . 0 0 "[ . 1 . 2]" 1
646 1 54 MET HA 1 57 ALA MB . . 6.500 3.522 3.000 3.743 . 0 0 "[ . 1 . 2]" 1
647 1 54 MET HA 1 58 PHE H . . 5.500 5.174 4.610 5.597 0.097 6 0 "[ . 1 . 2]" 1
648 1 55 ASP H 1 56 GLU H . . 5.500 2.843 2.665 2.880 . 0 0 "[ . 1 . 2]" 1
649 1 55 ASP H 1 57 ALA H . . 5.500 4.513 4.340 4.748 . 0 0 "[ . 1 . 2]" 1
650 1 55 ASP H 1 58 PHE H . . 5.500 5.005 4.696 5.212 . 0 0 "[ . 1 . 2]" 1
651 1 55 ASP HA 1 56 GLU H . . 5.500 3.589 3.585 3.607 . 0 0 "[ . 1 . 2]" 1
652 1 55 ASP HA 1 57 ALA H . . 5.500 4.116 3.807 4.472 . 0 0 "[ . 1 . 2]" 1
653 1 55 ASP HA 1 58 PHE H . . 5.500 3.127 3.029 3.353 . 0 0 "[ . 1 . 2]" 1
654 1 55 ASP HA 1 58 PHE QD . . 6.500 3.111 1.994 4.420 . 0 0 "[ . 1 . 2]" 1
655 1 55 ASP HA 1 59 LYS H . . 5.500 4.368 3.799 5.273 . 0 0 "[ . 1 . 2]" 1
656 1 56 GLU H 1 57 ALA H . . 5.500 2.928 2.792 3.033 . 0 0 "[ . 1 . 2]" 1
657 1 56 GLU H 1 58 PHE H . . 5.500 4.382 3.988 4.612 . 0 0 "[ . 1 . 2]" 1
658 1 56 GLU H 1 59 LYS H . . 5.500 4.819 4.542 5.139 . 0 0 "[ . 1 . 2]" 1
659 1 56 GLU HA 1 57 ALA H . . 5.500 3.606 3.571 3.638 . 0 0 "[ . 1 . 2]" 1
660 1 56 GLU HA 1 57 ALA HA . . 5.500 4.793 4.764 4.905 . 0 0 "[ . 1 . 2]" 1
661 1 56 GLU HA 1 58 PHE H . . 5.500 4.627 3.984 4.885 . 0 0 "[ . 1 . 2]" 1
662 1 56 GLU HA 1 59 LYS H . . 5.500 3.516 3.171 3.788 . 0 0 "[ . 1 . 2]" 1
663 1 57 ALA H 1 58 PHE H . . 5.500 2.697 2.583 2.865 . 0 0 "[ . 1 . 2]" 1
664 1 57 ALA H 1 59 LYS H . . 5.500 4.058 3.838 4.289 . 0 0 "[ . 1 . 2]" 1
665 1 57 ALA HA 1 58 PHE H . . 5.500 3.622 3.576 3.637 . 0 0 "[ . 1 . 2]" 1
666 1 57 ALA HA 1 59 LYS H . . 5.500 4.179 3.901 4.396 . 0 0 "[ . 1 . 2]" 1
667 1 57 ALA HA 1 60 HIS H . . 5.500 3.590 3.197 3.846 . 0 0 "[ . 1 . 2]" 1
668 1 57 ALA MB 1 58 PHE H . . 6.500 2.531 2.376 2.787 . 0 0 "[ . 1 . 2]" 1
669 1 57 ALA MB 1 58 PHE HA . . 6.500 3.741 3.627 3.841 . 0 0 "[ . 1 . 2]" 1
670 1 58 PHE H 1 59 LYS H . . 5.500 2.818 2.669 2.974 . 0 0 "[ . 1 . 2]" 1
671 1 58 PHE H 1 60 HIS H . . 5.500 4.472 4.250 4.754 . 0 0 "[ . 1 . 2]" 1
672 1 58 PHE HA 1 59 LYS H . . 5.500 3.592 3.580 3.625 . 0 0 "[ . 1 . 2]" 1
673 1 58 PHE HA 1 60 HIS H . . 5.500 4.183 3.766 4.519 . 0 0 "[ . 1 . 2]" 1
674 1 58 PHE HA 1 61 THR H . . 5.500 3.209 2.981 3.504 . 0 0 "[ . 1 . 2]" 1
675 1 58 PHE HA 1 61 THR HB . . 5.500 2.956 2.309 4.608 . 0 0 "[ . 1 . 2]" 1
676 1 58 PHE HA 1 61 THR MG . . 6.500 3.758 1.937 4.448 . 0 0 "[ . 1 . 2]" 1
677 1 58 PHE HA 1 62 ALA H . . 5.500 4.292 3.780 5.045 . 0 0 "[ . 1 . 2]" 1
678 1 58 PHE QD 1 59 LYS H . . 6.500 4.387 3.940 4.657 . 0 0 "[ . 1 . 2]" 1
679 1 58 PHE QD 1 61 THR MG . . 8.000 3.730 2.506 5.093 . 0 0 "[ . 1 . 2]" 1
680 1 59 LYS H 1 60 HIS H . . 5.500 2.891 2.645 3.011 . 0 0 "[ . 1 . 2]" 1
681 1 59 LYS H 1 61 THR H . . 5.500 4.442 4.119 4.597 . 0 0 "[ . 1 . 2]" 1
682 1 59 LYS H 1 62 ALA H . . 5.500 4.648 4.394 5.122 . 0 0 "[ . 1 . 2]" 1
683 1 59 LYS HA 1 60 HIS H . . 5.500 3.607 3.570 3.634 . 0 0 "[ . 1 . 2]" 1
684 1 59 LYS HA 1 60 HIS HA . . 5.500 4.810 4.741 4.865 . 0 0 "[ . 1 . 2]" 1
685 1 59 LYS HA 1 61 THR H . . 5.500 4.572 4.045 4.895 . 0 0 "[ . 1 . 2]" 1
686 1 59 LYS HA 1 62 ALA H . . 5.500 3.265 3.020 3.541 . 0 0 "[ . 1 . 2]" 1
687 1 59 LYS HA 1 62 ALA MB . . 6.500 2.353 1.992 3.074 . 0 0 "[ . 1 . 2]" 1
688 1 59 LYS HA 1 63 ARG H . . 5.500 3.923 3.555 5.051 . 0 0 "[ . 1 . 2]" 1
689 1 60 HIS H 1 61 THR H . . 5.500 2.852 2.601 3.017 . 0 0 "[ . 1 . 2]" 1
690 1 60 HIS H 1 61 THR HB . . 5.500 4.896 4.600 6.199 0.699 9 1 "[ . +1 . 2]" 1
691 1 60 HIS H 1 62 ALA H . . 5.500 4.003 3.823 4.228 . 0 0 "[ . 1 . 2]" 1
692 1 60 HIS HA 1 61 THR H . . 5.500 3.625 3.570 3.636 . 0 0 "[ . 1 . 2]" 1
693 1 60 HIS HA 1 61 THR HA . . 5.500 4.795 4.750 4.902 . 0 0 "[ . 1 . 2]" 1
694 1 60 HIS HA 1 62 ALA H . . 5.500 4.237 3.958 4.372 . 0 0 "[ . 1 . 2]" 1
695 1 60 HIS HA 1 63 ARG H . . 5.500 3.475 2.994 3.681 . 0 0 "[ . 1 . 2]" 1
696 1 61 THR H 1 62 ALA H . . 5.500 2.696 2.613 2.889 . 0 0 "[ . 1 . 2]" 1
697 1 61 THR H 1 63 ARG H . . 5.500 4.417 3.926 4.619 . 0 0 "[ . 1 . 2]" 1
698 1 61 THR H 1 64 HIS H . . 5.500 4.895 4.665 5.152 . 0 0 "[ . 1 . 2]" 1
699 1 61 THR HA 1 62 ALA H . . 5.500 3.570 3.566 3.602 . 0 0 "[ . 1 . 2]" 1
700 1 61 THR HA 1 63 ARG H . . 5.500 4.690 4.372 4.995 . 0 0 "[ . 1 . 2]" 1
701 1 61 THR HA 1 64 HIS H . . 5.500 3.505 3.132 3.906 . 0 0 "[ . 1 . 2]" 1
702 1 61 THR HA 1 64 HIS HA . . 5.500 4.620 4.218 5.352 . 0 0 "[ . 1 . 2]" 1
703 1 61 THR HA 1 65 ASN H . . 5.500 4.810 4.144 5.594 0.094 14 0 "[ . 1 . 2]" 1
704 1 61 THR HB 1 62 ALA H . . 5.500 3.081 2.687 3.997 . 0 0 "[ . 1 . 2]" 1
705 1 61 THR MG 1 62 ALA H . . 6.500 3.429 2.191 4.086 . 0 0 "[ . 1 . 2]" 1
706 1 61 THR MG 1 62 ALA HA . . 6.500 3.644 2.887 5.391 . 0 0 "[ . 1 . 2]" 1
707 1 62 ALA H 1 63 ARG H . . 5.500 2.686 2.391 2.853 . 0 0 "[ . 1 . 2]" 1
708 1 62 ALA H 1 64 HIS H . . 5.500 3.682 3.535 3.853 . 0 0 "[ . 1 . 2]" 1
709 1 62 ALA HA 1 63 ARG H . . 5.500 3.629 3.569 3.640 . 0 0 "[ . 1 . 2]" 1
710 1 62 ALA HA 1 63 ARG HA . . 5.500 4.646 4.567 4.718 . 0 0 "[ . 1 . 2]" 1
711 1 62 ALA HA 1 64 HIS H . . 5.500 3.525 3.305 3.768 . 0 0 "[ . 1 . 2]" 1
712 1 62 ALA HA 1 65 ASN H . . 5.500 4.166 3.699 4.634 . 0 0 "[ . 1 . 2]" 1
713 1 62 ALA HA 1 66 VAL H . . 5.500 3.917 3.209 4.448 . 0 0 "[ . 1 . 2]" 1
714 1 62 ALA HA 1 66 VAL MG1 . . 6.500 4.704 2.377 5.851 . 0 0 "[ . 1 . 2]" 1
715 1 62 ALA HA 1 67 ASP HA . . 5.500 4.940 4.447 5.423 . 0 0 "[ . 1 . 2]" 1
716 1 62 ALA HA 1 68 GLU H . . 5.500 5.010 4.136 5.842 0.342 14 0 "[ . 1 . 2]" 1
717 1 62 ALA MB 1 63 ARG H . . 6.500 2.474 2.261 2.884 . 0 0 "[ . 1 . 2]" 1
718 1 62 ALA MB 1 63 ARG HA . . 6.500 3.765 3.638 3.849 . 0 0 "[ . 1 . 2]" 1
719 1 62 ALA MB 1 64 HIS H . . 6.500 4.000 3.935 4.097 . 0 0 "[ . 1 . 2]" 1
720 1 62 ALA MB 1 67 ASP HA . . 6.500 3.649 3.272 4.140 . 0 0 "[ . 1 . 2]" 1
721 1 62 ALA MB 1 68 GLU H . . 6.500 2.760 1.891 3.370 . 0 0 "[ . 1 . 2]" 1
722 1 63 ARG H 1 64 HIS H . . 5.500 2.712 2.586 2.812 . 0 0 "[ . 1 . 2]" 1
723 1 63 ARG H 1 64 HIS HA . . 5.500 4.903 4.711 5.049 . 0 0 "[ . 1 . 2]" 1
724 1 63 ARG H 1 67 ASP HA . . 5.500 4.645 4.360 4.863 . 0 0 "[ . 1 . 2]" 1
725 1 63 ARG H 1 68 GLU H . . 5.500 4.456 4.065 4.768 . 0 0 "[ . 1 . 2]" 1
726 1 63 ARG HA 1 64 HIS H . . 5.500 3.237 3.204 3.351 . 0 0 "[ . 1 . 2]" 1
727 1 63 ARG HA 1 64 HIS HA . . 5.500 4.712 4.625 4.740 . 0 0 "[ . 1 . 2]" 1
728 1 63 ARG HA 1 65 ASN H . . 5.500 4.521 4.196 4.740 . 0 0 "[ . 1 . 2]" 1
729 1 63 ARG HA 1 67 ASP HA . . 5.500 2.772 2.565 3.113 . 0 0 "[ . 1 . 2]" 1
730 1 63 ARG HA 1 68 GLU H . . 5.500 3.861 3.472 4.254 . 0 0 "[ . 1 . 2]" 1
731 1 64 HIS H 1 65 ASN H . . 5.500 2.595 2.306 2.738 . 0 0 "[ . 1 . 2]" 1
732 1 64 HIS H 1 66 VAL H . . 5.500 4.026 3.677 4.315 . 0 0 "[ . 1 . 2]" 1
733 1 64 HIS HA 1 65 ASN H . . 5.500 3.634 3.617 3.642 . 0 0 "[ . 1 . 2]" 1
734 1 64 HIS HA 1 65 ASN HA . . 5.500 4.503 4.499 4.506 . 0 0 "[ . 1 . 2]" 1
735 1 65 ASN H 1 66 VAL H . . 5.500 2.164 1.997 2.340 . 0 0 "[ . 1 . 2]" 1
736 1 65 ASN H 1 66 VAL HA . . 5.500 4.672 4.626 4.715 . 0 0 "[ . 1 . 2]" 1
737 1 65 ASN H 1 66 VAL HB . . 5.500 5.169 4.349 5.861 0.361 9 0 "[ . 1 . 2]" 1
738 1 65 ASN HA 1 66 VAL H . . 5.500 3.647 3.628 3.656 . 0 0 "[ . 1 . 2]" 1
739 1 65 ASN HA 1 66 VAL HA . . 5.500 4.639 4.627 4.650 . 0 0 "[ . 1 . 2]" 1
740 1 65 ASN QD 1 66 VAL H . . 6.500 3.522 1.866 4.805 . 0 0 "[ . 1 . 2]" 1
741 1 65 ASN QD 1 66 VAL HB . . 6.500 5.313 2.056 6.578 0.078 14 0 "[ . 1 . 2]" 1
742 1 66 VAL H 1 67 ASP H . . 5.500 4.235 4.203 4.313 . 0 0 "[ . 1 . 2]" 1
743 1 66 VAL HA 1 67 ASP H . . 5.500 2.970 2.892 3.000 . 0 0 "[ . 1 . 2]" 1
744 1 66 VAL HA 1 67 ASP HA . . 5.500 4.489 4.470 4.516 . 0 0 "[ . 1 . 2]" 1
745 1 66 VAL HB 1 67 ASP H . . 5.500 2.286 1.798 3.622 . 0 0 "[ . 1 . 2]" 1
746 1 66 VAL QG 1 67 ASP H . . 6.500 2.049 1.675 2.682 . 0 0 "[ . 1 . 2]" 1
747 1 66 VAL QG 1 67 ASP HA . . 6.500 3.692 3.180 4.134 . 0 0 "[ . 1 . 2]" 1
748 1 66 VAL MG1 1 67 ASP H . . 6.500 2.674 1.827 3.632 . 0 0 "[ . 1 . 2]" 1
749 1 66 VAL MG1 1 67 ASP HA . . 6.500 4.653 3.278 5.454 . 0 0 "[ . 1 . 2]" 1
750 1 66 VAL MG1 1 68 GLU H . . 6.500 5.815 4.011 6.789 0.289 4 0 "[ . 1 . 2]" 1
751 1 66 VAL MG2 1 67 ASP H . . 6.500 2.818 1.840 3.745 . 0 0 "[ . 1 . 2]" 1
752 1 67 ASP H 1 68 GLU H . . 5.500 4.310 4.265 4.365 . 0 0 "[ . 1 . 2]" 1
753 1 67 ASP H 1 68 GLU HA . . 5.500 4.741 4.646 4.782 . 0 0 "[ . 1 . 2]" 1
754 1 67 ASP HA 1 68 GLU H . . 5.500 2.300 2.277 2.328 . 0 0 "[ . 1 . 2]" 1
755 1 67 ASP HA 1 68 GLU HA . . 5.500 4.435 4.426 4.450 . 0 0 "[ . 1 . 2]" 1
756 1 68 GLU H 1 69 LEU H . . 5.500 4.330 4.318 4.375 . 0 0 "[ . 1 . 2]" 1
757 1 68 GLU H 1 69 LEU HA . . 5.500 4.707 4.691 4.765 . 0 0 "[ . 1 . 2]" 1
758 1 68 GLU HA 1 69 LEU H . . 5.500 2.285 2.284 2.286 . 0 0 "[ . 1 . 2]" 1
759 1 68 GLU HA 1 69 LEU HA . . 5.500 4.428 4.427 4.429 . 0 0 "[ . 1 . 2]" 1
760 1 68 GLU HA 1 69 LEU HG . . 5.500 5.061 3.236 6.609 1.109 6 1 "[ .+ 1 . 2]" 1
761 1 69 LEU H 1 69 LEU HG . . 5.500 3.653 2.179 4.913 . 0 0 "[ . 1 . 2]" 1
762 1 69 LEU H 1 70 HIS H . . 5.500 4.298 4.284 4.364 . 0 0 "[ . 1 . 2]" 1
763 1 69 LEU H 1 107 ILE HB . . 5.500 5.486 4.801 6.035 0.535 20 1 "[ . 1 . +]" 1
764 1 69 LEU HA 1 70 HIS H . . 5.500 2.209 2.201 2.254 . 0 0 "[ . 1 . 2]" 1
765 1 69 LEU HA 1 70 HIS HA . . 5.500 4.383 4.378 4.399 . 0 0 "[ . 1 . 2]" 1
766 1 69 LEU QD 1 70 HIS HA . . 6.500 3.841 2.413 5.177 . 0 0 "[ . 1 . 2]" 1
767 1 69 LEU QD 1 104 GLU H . . 6.500 4.799 3.064 6.346 . 0 0 "[ . 1 . 2]" 1
768 1 69 LEU QD 1 104 GLU HA . . 6.500 3.016 1.705 4.586 . 0 0 "[ . 1 . 2]" 1
769 1 69 LEU QD 1 106 LYS H . . 6.500 5.295 3.368 6.506 0.006 13 0 "[ . 1 . 2]" 1
770 1 69 LEU QD 1 107 ILE H . . 6.500 4.049 2.574 5.725 . 0 0 "[ . 1 . 2]" 1
771 1 69 LEU QD 1 107 ILE HA . . 6.500 3.827 2.858 5.489 . 0 0 "[ . 1 . 2]" 1
772 1 69 LEU QD 1 107 ILE HB . . 6.500 3.285 2.096 5.113 . 0 0 "[ . 1 . 2]" 1
773 1 69 LEU QD 1 107 ILE MG . . 8.000 3.312 1.723 5.706 . 0 0 "[ . 1 . 2]" 1
774 1 69 LEU HG 1 104 GLU HA . . 5.500 4.058 2.736 5.573 0.073 7 0 "[ . 1 . 2]" 1
775 1 69 LEU HG 1 107 ILE HB . . 5.500 4.831 2.720 6.188 0.688 11 1 "[ . 1+ . 2]" 1
776 1 70 HIS H 1 71 ILE H . . 5.500 4.318 4.308 4.348 . 0 0 "[ . 1 . 2]" 1
777 1 70 HIS H 1 71 ILE HA . . 5.500 4.682 4.670 4.719 . 0 0 "[ . 1 . 2]" 1
778 1 70 HIS H 1 71 ILE HB . . 5.500 5.269 4.729 6.197 0.697 20 1 "[ . 1 . +]" 1
779 1 70 HIS H 1 107 ILE HB . . 5.500 5.540 4.281 6.104 0.604 8 1 "[ . + 1 . 2]" 1
780 1 70 HIS HA 1 71 ILE H . . 5.500 2.266 2.264 2.266 . 0 0 "[ . 1 . 2]" 1
781 1 70 HIS HA 1 71 ILE HA . . 5.500 4.412 4.411 4.413 . 0 0 "[ . 1 . 2]" 1
782 1 70 HIS HA 1 71 ILE HB . . 5.500 4.860 4.116 5.621 0.121 20 0 "[ . 1 . 2]" 1
783 1 70 HIS HA 1 107 ILE HA . . 5.500 5.455 4.357 6.259 0.759 6 2 "[ .+ 1 -. 2]" 1
784 1 70 HIS HA 1 107 ILE HB . . 5.500 3.675 2.393 4.299 . 0 0 "[ . 1 . 2]" 1
785 1 70 HIS HA 1 107 ILE MD . . 6.500 2.775 1.841 5.003 . 0 0 "[ . 1 . 2]" 1
786 1 70 HIS HA 1 107 ILE MG . . 6.500 3.300 1.959 4.217 . 0 0 "[ . 1 . 2]" 1
787 1 71 ILE H 1 72 ASP H . . 5.500 4.290 4.284 4.357 . 0 0 "[ . 1 . 2]" 1
788 1 71 ILE H 1 72 ASP HA . . 5.500 4.757 4.740 4.759 . 0 0 "[ . 1 . 2]" 1
789 1 71 ILE H 1 107 ILE HB . . 5.500 4.411 3.416 5.073 . 0 0 "[ . 1 . 2]" 1
790 1 71 ILE H 1 107 ILE MD . . 6.500 2.999 1.722 5.914 . 0 0 "[ . 1 . 2]" 1
791 1 71 ILE H 1 107 ILE MG . . 6.500 3.301 2.348 5.149 . 0 0 "[ . 1 . 2]" 1
792 1 71 ILE H 1 108 THR MG . . 6.500 4.784 2.953 6.670 0.170 8 0 "[ . 1 . 2]" 1
793 1 71 ILE HA 1 72 ASP H . . 5.500 2.204 2.200 2.246 . 0 0 "[ . 1 . 2]" 1
794 1 71 ILE HA 1 72 ASP HA . . 5.500 4.356 4.355 4.374 . 0 0 "[ . 1 . 2]" 1
795 1 71 ILE HB 1 72 ASP H . . 5.500 3.908 3.282 4.349 . 0 0 "[ . 1 . 2]" 1
796 1 71 ILE HB 1 105 PHE HA . . 5.500 5.559 3.973 6.369 0.869 15 3 "[ . 1 +* - 2]" 1
797 1 71 ILE HB 1 107 ILE MG . . 6.500 4.300 2.447 5.871 . 0 0 "[ . 1 . 2]" 1
798 1 71 ILE MD 1 72 ASP H . . 6.500 3.669 1.898 5.095 . 0 0 "[ . 1 . 2]" 1
799 1 71 ILE MD 1 72 ASP HA . . 6.500 4.032 2.451 6.083 . 0 0 "[ . 1 . 2]" 1
800 1 71 ILE MD 1 73 GLY H . . 6.500 4.986 3.457 7.310 0.810 2 1 "[ + . 1 . 2]" 1
801 1 71 ILE MD 1 73 GLY QA . . 8.000 4.868 3.489 6.854 . 0 0 "[ . 1 . 2]" 1
802 1 71 ILE MG 1 72 ASP H . . 6.500 4.031 2.475 4.454 . 0 0 "[ . 1 . 2]" 1
803 1 71 ILE MG 1 72 ASP HA . . 6.500 4.550 3.143 5.486 . 0 0 "[ . 1 . 2]" 1
804 1 71 ILE MG 1 105 PHE HA . . 6.500 3.598 2.331 5.482 . 0 0 "[ . 1 . 2]" 1
805 1 71 ILE MG 1 105 PHE QD . . 8.000 5.047 3.629 6.583 . 0 0 "[ . 1 . 2]" 1
806 1 71 ILE MG 1 107 ILE MG . . 8.000 2.631 1.712 4.147 . 0 0 "[ . 1 . 2]" 1
807 1 71 ILE MG 1 108 THR H . . 6.500 5.077 3.595 6.963 0.463 13 0 "[ . 1 . 2]" 1
808 1 71 ILE MG 1 108 THR MG . . 8.000 4.316 1.946 5.877 . 0 0 "[ . 1 . 2]" 1
809 1 72 ASP H 1 73 GLY H . . 5.500 4.305 4.303 4.310 . 0 0 "[ . 1 . 2]" 1
810 1 72 ASP HA 1 73 GLY H . . 5.500 2.327 2.325 2.329 . 0 0 "[ . 1 . 2]" 1
811 1 72 ASP HA 1 73 GLY QA . . 6.500 3.958 3.957 3.959 . 0 0 "[ . 1 . 2]" 1
812 1 73 GLY H 1 74 ASN H . . 5.500 4.309 4.306 4.329 . 0 0 "[ . 1 . 2]" 1
813 1 73 GLY QA 1 74 ASN H . . 6.500 2.174 2.173 2.178 . 0 0 "[ . 1 . 2]" 1
814 1 73 GLY QA 1 74 ASN HA . . 6.500 3.900 3.899 3.901 . 0 0 "[ . 1 . 2]" 1
815 1 74 ASN H 1 75 TYR H . . 5.500 4.291 4.233 4.316 . 0 0 "[ . 1 . 2]" 1
816 1 74 ASN H 1 75 TYR HA . . 5.500 4.667 4.566 4.735 . 0 0 "[ . 1 . 2]" 1
817 1 74 ASN H 1 77 LEU H . . 5.500 3.655 3.394 4.079 . 0 0 "[ . 1 . 2]" 1
818 1 74 ASN H 1 77 LEU MD1 . . 6.500 3.047 2.070 5.406 . 0 0 "[ . 1 . 2]" 1
819 1 74 ASN H 1 77 LEU QD . . 6.500 2.643 2.066 3.451 . 0 0 "[ . 1 . 2]" 1
820 1 74 ASN H 1 77 LEU MD2 . . 6.500 3.723 2.377 4.816 . 0 0 "[ . 1 . 2]" 1
821 1 74 ASN HA 1 75 TYR H . . 5.500 2.316 2.284 2.328 . 0 0 "[ . 1 . 2]" 1
822 1 74 ASN HA 1 75 TYR HA . . 5.500 4.379 4.370 4.399 . 0 0 "[ . 1 . 2]" 1
823 1 74 ASN HA 1 76 GLN H . . 5.500 3.691 3.599 3.753 . 0 0 "[ . 1 . 2]" 1
824 1 74 ASN HA 1 77 LEU H . . 5.500 4.281 4.111 4.417 . 0 0 "[ . 1 . 2]" 1
825 1 74 ASN QD 1 75 TYR H . . 6.500 4.376 3.202 5.458 . 0 0 "[ . 1 . 2]" 1
826 1 74 ASN QD 1 76 GLN H . . 6.500 3.532 1.984 4.357 . 0 0 "[ . 1 . 2]" 1
827 1 74 ASN QD 1 76 GLN HA . . 6.500 5.570 4.159 6.495 . 0 0 "[ . 1 . 2]" 1
828 1 74 ASN QD 1 77 LEU H . . 6.500 3.979 2.530 4.914 . 0 0 "[ . 1 . 2]" 1
829 1 74 ASN QD 1 77 LEU HA . . 6.500 4.506 2.408 5.834 . 0 0 "[ . 1 . 2]" 1
830 1 75 TYR H 1 76 GLN H . . 5.500 2.682 2.625 2.746 . 0 0 "[ . 1 . 2]" 1
831 1 75 TYR H 1 77 LEU H . . 5.500 4.062 3.969 4.134 . 0 0 "[ . 1 . 2]" 1
832 1 75 TYR HA 1 76 GLN H . . 5.500 3.402 3.356 3.459 . 0 0 "[ . 1 . 2]" 1
833 1 75 TYR HA 1 76 GLN HA . . 5.500 4.518 4.494 4.568 . 0 0 "[ . 1 . 2]" 1
834 1 75 TYR HA 1 77 LEU H . . 5.500 3.885 3.754 4.041 . 0 0 "[ . 1 . 2]" 1
835 1 75 TYR HA 1 78 GLY H . . 5.500 4.704 4.360 5.038 . 0 0 "[ . 1 . 2]" 1
836 1 75 TYR HA 1 79 ARG HA . . 5.500 4.827 4.379 5.283 . 0 0 "[ . 1 . 2]" 1
837 1 75 TYR QR 1 76 GLN HA . . 6.500 4.250 2.898 5.770 . 0 0 "[ . 1 . 2]" 1
838 1 75 TYR QD 1 76 GLN H . . 6.500 3.803 2.010 4.853 . 0 0 "[ . 1 . 2]" 1
839 1 75 TYR QD 1 76 GLN HA . . 6.500 4.367 2.928 5.913 . 0 0 "[ . 1 . 2]" 1
840 1 76 GLN H 1 77 LEU H . . 5.500 2.061 1.972 2.185 . 0 0 "[ . 1 . 2]" 1
841 1 76 GLN H 1 77 LEU HA . . 5.500 4.428 4.325 4.570 . 0 0 "[ . 1 . 2]" 1
842 1 76 GLN H 1 78 GLY H . . 5.500 4.628 4.154 4.927 . 0 0 "[ . 1 . 2]" 1
843 1 76 GLN HA 1 77 LEU H . . 5.500 3.390 3.344 3.454 . 0 0 "[ . 1 . 2]" 1
844 1 76 GLN HA 1 78 GLY H . . 5.500 4.218 3.372 4.557 . 0 0 "[ . 1 . 2]" 1
845 1 77 LEU H 1 77 LEU HG . . 5.500 4.350 4.200 4.567 . 0 0 "[ . 1 . 2]" 1
846 1 77 LEU H 1 78 GLY H . . 5.500 2.993 2.700 3.135 . 0 0 "[ . 1 . 2]" 1
847 1 77 LEU H 1 79 ARG H . . 5.500 4.171 3.734 4.382 . 0 0 "[ . 1 . 2]" 1
848 1 77 LEU HA 1 78 GLY H . . 5.500 3.625 3.532 3.640 . 0 0 "[ . 1 . 2]" 1
849 1 77 LEU HA 1 78 GLY QA . . 6.500 4.255 4.223 4.263 . 0 0 "[ . 1 . 2]" 1
850 1 77 LEU QD 1 78 GLY H . . 6.500 3.384 2.551 4.195 . 0 0 "[ . 1 . 2]" 1
851 1 77 LEU QD 1 79 ARG H . . 6.500 3.934 2.936 4.702 . 0 0 "[ . 1 . 2]" 1
852 1 77 LEU MD2 1 78 GLY H . . 6.500 3.616 2.563 4.918 . 0 0 "[ . 1 . 2]" 1
853 1 77 LEU MD2 1 79 ARG H . . 6.500 4.148 2.996 6.047 . 0 0 "[ . 1 . 2]" 1
854 1 77 LEU MD2 1 80 ASN H . . 6.500 3.346 2.108 5.840 . 0 0 "[ . 1 . 2]" 1
855 1 77 LEU HG 1 78 GLY H . . 5.500 4.502 4.211 4.972 . 0 0 "[ . 1 . 2]" 1
856 1 77 LEU HG 1 78 GLY QA . . 6.500 4.821 4.468 5.354 . 0 0 "[ . 1 . 2]" 1
857 1 77 LEU HG 1 79 ARG H . . 5.500 5.627 4.802 6.026 0.526 12 2 "[ . 1 + . -]" 1
858 1 78 GLY H 1 79 ARG H . . 5.500 1.720 1.555 1.909 . 0 0 "[ . 1 . 2]" 1
859 1 78 GLY H 1 79 ARG HA . . 5.500 3.716 3.621 3.914 . 0 0 "[ . 1 . 2]" 1
860 1 78 GLY H 1 80 ASN H . . 5.500 3.660 3.151 4.350 . 0 0 "[ . 1 . 2]" 1
861 1 78 GLY QA 1 79 ARG H . . 6.500 2.893 2.812 2.989 . 0 0 "[ . 1 . 2]" 1
862 1 79 ARG H 1 80 ASN H . . 5.500 2.836 2.437 2.977 . 0 0 "[ . 1 . 2]" 1
863 1 79 ARG HA 1 80 ASN H . . 5.500 2.703 2.687 2.857 . 0 0 "[ . 1 . 2]" 1
864 1 79 ARG HA 1 80 ASN HA . . 5.500 4.430 4.409 4.460 . 0 0 "[ . 1 . 2]" 1
865 1 80 ASN H 1 81 VAL H . . 5.500 4.293 4.250 4.324 . 0 0 "[ . 1 . 2]" 1
866 1 80 ASN H 1 81 VAL HA . . 5.500 4.808 4.732 4.867 . 0 0 "[ . 1 . 2]" 1
867 1 80 ASN HA 1 81 VAL H . . 5.500 2.254 2.252 2.255 . 0 0 "[ . 1 . 2]" 1
868 1 80 ASN HA 1 81 VAL HA . . 5.500 4.436 4.434 4.437 . 0 0 "[ . 1 . 2]" 1
869 1 80 ASN HA 1 81 VAL HB . . 5.500 4.991 4.175 5.735 0.235 11 0 "[ . 1 . 2]" 1
870 1 80 ASN HA 1 81 VAL MG1 . . 6.500 3.978 3.248 5.477 . 0 0 "[ . 1 . 2]" 1
871 1 80 ASN QD 1 81 VAL H . . 6.500 4.816 3.082 5.748 . 0 0 "[ . 1 . 2]" 1
872 1 80 ASN QD 1 82 LEU MD1 . . 8.000 3.997 1.928 5.407 . 0 0 "[ . 1 . 2]" 1
873 1 80 ASN QD 1 82 LEU QD . . 8.000 3.363 1.765 5.100 . 0 0 "[ . 1 . 2]" 1
874 1 80 ASN QD 1 82 LEU MD2 . . 8.000 4.184 1.767 6.938 . 0 0 "[ . 1 . 2]" 1
875 1 80 ASN QD 1 82 LEU HG . . 6.500 4.671 1.995 6.151 . 0 0 "[ . 1 . 2]" 1
876 1 81 VAL H 1 82 LEU H . . 5.500 4.189 4.146 4.213 . 0 0 "[ . 1 . 2]" 1
877 1 81 VAL H 1 82 LEU HG . . 5.500 4.469 3.657 5.999 0.499 3 0 "[ . 1 . 2]" 1
878 1 81 VAL HA 1 82 LEU H . . 5.500 2.190 2.187 2.191 . 0 0 "[ . 1 . 2]" 1
879 1 81 VAL HA 1 82 LEU HA . . 5.500 4.370 4.368 4.373 . 0 0 "[ . 1 . 2]" 1
880 1 81 VAL HA 1 82 LEU HG . . 5.500 4.667 3.419 6.035 0.535 3 1 "[ + . 1 . 2]" 1
881 1 81 VAL HB 1 82 LEU H . . 5.500 4.199 3.695 4.661 . 0 0 "[ . 1 . 2]" 1
882 1 81 VAL QG 1 82 LEU H . . 6.500 3.221 2.909 3.731 . 0 0 "[ . 1 . 2]" 1
883 1 81 VAL QG 1 82 LEU HA . . 6.500 3.647 3.342 4.123 . 0 0 "[ . 1 . 2]" 1
884 1 81 VAL MG2 1 82 LEU H . . 6.500 3.596 2.956 4.395 . 0 0 "[ . 1 . 2]" 1
885 1 81 VAL MG2 1 82 LEU HA . . 6.500 4.144 3.530 5.541 . 0 0 "[ . 1 . 2]" 1
886 1 82 LEU H 1 82 LEU HG . . 5.500 3.504 2.230 4.502 . 0 0 "[ . 1 . 2]" 1
887 1 82 LEU H 1 83 LEU H . . 5.500 4.260 4.231 4.297 . 0 0 "[ . 1 . 2]" 1
888 1 82 LEU H 1 83 LEU HA . . 5.500 4.731 4.717 4.783 . 0 0 "[ . 1 . 2]" 1
889 1 82 LEU HA 1 83 LEU H . . 5.500 2.178 2.176 2.180 . 0 0 "[ . 1 . 2]" 1
890 1 82 LEU HA 1 83 LEU HA . . 5.500 4.367 4.366 4.368 . 0 0 "[ . 1 . 2]" 1
891 1 82 LEU MD2 1 83 LEU H . . 6.500 4.072 3.084 5.058 . 0 0 "[ . 1 . 2]" 1
892 1 83 LEU H 1 83 LEU HG . . 5.500 4.520 3.823 4.785 . 0 0 "[ . 1 . 2]" 1
893 1 83 LEU H 1 84 LYS H . . 5.500 4.226 4.180 4.303 . 0 0 "[ . 1 . 2]" 1
894 1 83 LEU HA 1 84 LYS H . . 5.500 2.181 2.176 2.184 . 0 0 "[ . 1 . 2]" 1
895 1 83 LEU HA 1 84 LYS HA . . 5.500 4.365 4.364 4.368 . 0 0 "[ . 1 . 2]" 1
896 1 83 LEU HA 1 101 VAL QG . . 6.500 4.463 3.691 5.236 . 0 0 "[ . 1 . 2]" 1
897 1 83 LEU QD 1 85 ASN QD . . 8.000 3.274 1.939 5.300 . 0 0 "[ . 1 . 2]" 1
898 1 83 LEU QD 1 101 VAL QG . . 8.000 2.321 1.818 3.426 . 0 0 "[ . 1 . 2]" 1
899 1 83 LEU MD1 1 101 VAL HB . . 6.500 4.487 3.012 6.094 . 0 0 "[ . 1 . 2]" 1
900 1 83 LEU MD1 1 101 VAL QG . . 8.000 2.951 1.843 3.975 . 0 0 "[ . 1 . 2]" 1
901 1 83 LEU MD2 1 84 LYS HA . . 6.500 3.986 2.899 6.033 . 0 0 "[ . 1 . 2]" 1
902 1 83 LEU MD2 1 85 ASN QD . . 8.000 3.562 2.052 6.380 . 0 0 "[ . 1 . 2]" 1
903 1 83 LEU MD2 1 101 VAL QG . . 8.000 2.777 1.841 5.409 . 0 0 "[ . 1 . 2]" 1
904 1 83 LEU HG 1 84 LYS H . . 5.500 3.783 3.150 5.030 . 0 0 "[ . 1 . 2]" 1
905 1 83 LEU HG 1 84 LYS HA . . 5.500 4.883 3.543 5.779 0.279 17 0 "[ . 1 . 2]" 1
906 1 83 LEU HG 1 85 ASN QD . . 6.500 4.632 2.406 6.546 0.046 6 0 "[ . 1 . 2]" 1
907 1 83 LEU HG 1 101 VAL HB . . 5.500 5.137 3.804 5.799 0.299 19 0 "[ . 1 . 2]" 1
908 1 83 LEU HG 1 101 VAL QG . . 6.500 3.146 2.124 5.036 . 0 0 "[ . 1 . 2]" 1
909 1 84 LYS H 1 85 ASN H . . 5.500 4.257 4.254 4.268 . 0 0 "[ . 1 . 2]" 1
910 1 84 LYS H 1 85 ASN HA . . 5.500 4.666 4.662 4.681 . 0 0 "[ . 1 . 2]" 1
911 1 84 LYS H 1 101 VAL QG . . 6.500 4.426 3.613 5.261 . 0 0 "[ . 1 . 2]" 1
912 1 84 LYS HA 1 85 ASN H . . 5.500 2.178 2.177 2.179 . 0 0 "[ . 1 . 2]" 1
913 1 84 LYS HA 1 85 ASN HA . . 5.500 4.330 4.329 4.331 . 0 0 "[ . 1 . 2]" 1
914 1 84 LYS HA 1 85 ASN QD . . 6.500 4.922 3.167 6.456 . 0 0 "[ . 1 . 2]" 1
915 1 85 ASN H 1 86 GLY H . . 5.500 4.282 4.208 4.324 . 0 0 "[ . 1 . 2]" 1
916 1 85 ASN H 1 101 VAL QG . . 6.500 4.913 4.129 6.045 . 0 0 "[ . 1 . 2]" 1
917 1 85 ASN HA 1 86 GLY H . . 5.500 2.253 2.252 2.258 . 0 0 "[ . 1 . 2]" 1
918 1 85 ASN HA 1 86 GLY QA . . 6.500 3.972 3.965 3.984 . 0 0 "[ . 1 . 2]" 1
919 1 85 ASN HA 1 101 VAL H . . 5.500 5.099 3.681 5.900 0.400 10 0 "[ . 1 . 2]" 1
920 1 85 ASN HA 1 101 VAL HA . . 5.500 4.909 3.839 5.867 0.367 17 0 "[ . 1 . 2]" 1
921 1 85 ASN HA 1 101 VAL QG . . 6.500 3.803 2.797 5.219 . 0 0 "[ . 1 . 2]" 1
922 1 85 ASN QD 1 101 VAL QG . . 8.000 2.965 1.798 5.398 . 0 0 "[ . 1 . 2]" 1
923 1 86 GLY H 1 87 GLU H . . 5.500 4.315 4.239 4.344 . 0 0 "[ . 1 . 2]" 1
924 1 86 GLY H 1 87 GLU HA . . 5.500 4.853 4.790 4.882 . 0 0 "[ . 1 . 2]" 1
925 1 86 GLY H 1 99 GLY QA . . 6.500 5.208 3.391 6.533 0.033 2 0 "[ . 1 . 2]" 1
926 1 86 GLY QA 1 87 GLU H . . 6.500 2.173 2.169 2.188 . 0 0 "[ . 1 . 2]" 1
927 1 86 GLY QA 1 87 GLU HA . . 6.500 3.924 3.920 3.933 . 0 0 "[ . 1 . 2]" 1
928 1 87 GLU H 1 88 ASP H . . 5.500 4.272 4.219 4.296 . 0 0 "[ . 1 . 2]" 1
929 1 87 GLU HA 1 88 ASP H . . 5.500 2.204 2.201 2.206 . 0 0 "[ . 1 . 2]" 1
930 1 87 GLU HA 1 88 ASP HA . . 5.500 4.356 4.348 4.362 . 0 0 "[ . 1 . 2]" 1
931 1 87 GLU HA 1 99 GLY H . . 5.500 3.962 2.734 5.593 0.093 20 0 "[ . 1 . 2]" 1
932 1 87 GLU HA 1 99 GLY QA . . 6.500 3.824 2.324 5.637 . 0 0 "[ . 1 . 2]" 1
933 1 88 ASP H 1 89 ARG H . . 5.500 4.259 4.020 4.477 . 0 0 "[ . 1 . 2]" 1
934 1 88 ASP H 1 89 ARG HA . . 5.500 4.757 4.512 5.034 . 0 0 "[ . 1 . 2]" 1
935 1 88 ASP H 1 99 GLY H . . 5.500 4.836 3.472 6.237 0.737 20 1 "[ . 1 . +]" 1
936 1 88 ASP H 1 99 GLY QA . . 6.500 4.886 3.369 6.473 . 0 0 "[ . 1 . 2]" 1
937 1 88 ASP HA 1 89 ARG H . . 5.500 2.301 2.252 2.434 . 0 0 "[ . 1 . 2]" 1
938 1 88 ASP HA 1 89 ARG HA . . 5.500 4.411 4.382 4.499 . 0 0 "[ . 1 . 2]" 1
939 1 89 ARG H 1 90 LEU H . . 5.500 4.321 4.164 4.420 . 0 0 "[ . 1 . 2]" 1
940 1 89 ARG H 1 90 LEU MD2 . . 6.500 4.322 2.451 6.347 . 0 0 "[ . 1 . 2]" 1
941 1 89 ARG H 1 90 LEU HG . . 5.500 4.551 3.371 5.962 0.462 12 0 "[ . 1 . 2]" 1
942 1 89 ARG HA 1 90 LEU H . . 5.500 2.326 2.225 2.428 . 0 0 "[ . 1 . 2]" 1
943 1 89 ARG HA 1 90 LEU HA . . 5.500 4.454 4.410 4.527 . 0 0 "[ . 1 . 2]" 1
944 1 89 ARG HA 1 90 LEU HG . . 5.500 4.467 3.272 5.989 0.489 13 0 "[ . 1 . 2]" 1
945 1 89 ARG HA 1 96 PHE HA . . 5.500 4.390 3.105 5.424 . 0 0 "[ . 1 . 2]" 1
946 1 90 LEU H 1 90 LEU HG . . 5.500 3.571 1.947 4.770 . 0 0 "[ . 1 . 2]" 1
947 1 90 LEU H 1 91 ARG H . . 5.500 4.416 4.363 4.496 . 0 0 "[ . 1 . 2]" 1
948 1 90 LEU H 1 91 ARG HA . . 5.500 4.916 4.724 5.177 . 0 0 "[ . 1 . 2]" 1
949 1 90 LEU H 1 92 PHE H . . 5.500 4.511 3.974 4.932 . 0 0 "[ . 1 . 2]" 1
950 1 90 LEU H 1 93 TYR H . . 5.500 3.497 3.002 4.253 . 0 0 "[ . 1 . 2]" 1
951 1 90 LEU H 1 93 TYR QD . . 6.500 3.528 2.202 5.488 . 0 0 "[ . 1 . 2]" 1
952 1 90 LEU H 1 96 PHE HA . . 5.500 4.731 3.659 5.913 0.413 17 0 "[ . 1 . 2]" 1
953 1 90 LEU HA 1 91 ARG H . . 5.500 2.473 2.276 2.635 . 0 0 "[ . 1 . 2]" 1
954 1 90 LEU HA 1 91 ARG HA . . 5.500 4.229 4.214 4.254 . 0 0 "[ . 1 . 2]" 1
955 1 90 LEU HA 1 92 PHE H . . 5.500 4.089 3.709 4.343 . 0 0 "[ . 1 . 2]" 1
956 1 91 ARG H 1 92 PHE H . . 5.500 2.632 2.353 2.841 . 0 0 "[ . 1 . 2]" 1
957 1 91 ARG H 1 93 TYR H . . 5.500 4.218 3.968 4.465 . 0 0 "[ . 1 . 2]" 1
958 1 91 ARG HA 1 92 PHE H . . 5.500 3.510 3.370 3.570 . 0 0 "[ . 1 . 2]" 1
959 1 91 ARG HA 1 93 TYR H . . 5.500 3.709 3.206 4.078 . 0 0 "[ . 1 . 2]" 1
960 1 92 PHE H 1 93 TYR H . . 5.500 2.637 2.451 2.782 . 0 0 "[ . 1 . 2]" 1
961 1 92 PHE HA 1 93 TYR H . . 5.500 3.492 3.276 3.576 . 0 0 "[ . 1 . 2]" 1
962 1 92 PHE HA 1 93 TYR HA . . 5.500 4.625 4.538 4.685 . 0 0 "[ . 1 . 2]" 1
963 1 93 TYR H 1 94 VAL H . . 5.500 4.554 4.438 4.623 . 0 0 "[ . 1 . 2]" 1
964 1 93 TYR HA 1 94 VAL H . . 5.500 2.275 2.189 2.409 . 0 0 "[ . 1 . 2]" 1
965 1 93 TYR HA 1 94 VAL HA . . 5.500 4.369 4.345 4.387 . 0 0 "[ . 1 . 2]" 1
966 1 93 TYR HA 1 94 VAL HB . . 5.500 4.765 4.071 5.653 0.153 4 0 "[ . 1 . 2]" 1
967 1 93 TYR HA 1 95 LYS H . . 5.500 3.732 3.377 4.126 . 0 0 "[ . 1 . 2]" 1
968 1 93 TYR HA 1 96 PHE H . . 5.500 4.448 3.923 5.004 . 0 0 "[ . 1 . 2]" 1
969 1 93 TYR QR 1 94 VAL H . . 6.500 3.467 1.989 4.412 . 0 0 "[ . 1 . 2]" 1
970 1 93 TYR QR 1 95 LYS H . . 6.500 3.350 1.947 4.786 . 0 0 "[ . 1 . 2]" 1
971 1 93 TYR QR 1 96 PHE H . . 6.500 2.813 1.933 4.461 . 0 0 "[ . 1 . 2]" 1
972 1 93 TYR QR 1 96 PHE HA . . 6.500 3.463 2.013 5.087 . 0 0 "[ . 1 . 2]" 1
973 1 93 TYR QR 1 97 GLY H . . 6.500 3.779 2.066 4.834 . 0 0 "[ . 1 . 2]" 1
974 1 93 TYR QD 1 94 VAL H . . 6.500 3.524 1.993 4.502 . 0 0 "[ . 1 . 2]" 1
975 1 93 TYR QD 1 95 LYS H . . 6.500 3.405 1.951 4.880 . 0 0 "[ . 1 . 2]" 1
976 1 93 TYR QD 1 96 PHE H . . 6.500 2.837 1.938 4.544 . 0 0 "[ . 1 . 2]" 1
977 1 93 TYR QD 1 96 PHE HA . . 6.500 3.527 2.020 5.238 . 0 0 "[ . 1 . 2]" 1
978 1 93 TYR QD 1 97 GLY H . . 6.500 4.032 2.413 4.982 . 0 0 "[ . 1 . 2]" 1
979 1 93 TYR QE 1 97 GLY H . . 6.500 4.834 2.245 6.520 0.020 9 0 "[ . 1 . 2]" 1
980 1 94 VAL H 1 95 LYS H . . 5.500 2.011 1.884 2.214 . 0 0 "[ . 1 . 2]" 1
981 1 94 VAL H 1 95 LYS HA . . 5.500 4.621 4.513 4.746 . 0 0 "[ . 1 . 2]" 1
982 1 94 VAL H 1 96 PHE H . . 5.500 3.701 2.860 4.389 . 0 0 "[ . 1 . 2]" 1
983 1 94 VAL HA 1 95 LYS H . . 5.500 3.488 3.322 3.600 . 0 0 "[ . 1 . 2]" 1
984 1 94 VAL HA 1 95 LYS HA . . 5.500 4.678 4.596 4.832 . 0 0 "[ . 1 . 2]" 1
985 1 94 VAL HA 1 96 PHE H . . 5.500 4.419 3.736 5.190 . 0 0 "[ . 1 . 2]" 1
986 1 94 VAL HA 1 96 PHE QD . . 6.500 3.523 2.901 4.989 . 0 0 "[ . 1 . 2]" 1
987 1 94 VAL HA 1 96 PHE QR . . 6.500 3.122 2.150 4.839 . 0 0 "[ . 1 . 2]" 1
988 1 94 VAL HA 1 96 PHE QE . . 6.500 4.032 2.216 6.933 0.433 17 0 "[ . 1 . 2]" 1
989 1 94 VAL HB 1 95 LYS H . . 5.500 3.611 2.726 4.356 . 0 0 "[ . 1 . 2]" 1
990 1 94 VAL QG 1 95 LYS H . . 6.500 2.865 2.012 3.674 . 0 0 "[ . 1 . 2]" 1
991 1 94 VAL QG 1 95 LYS HA . . 6.500 3.513 2.891 4.169 . 0 0 "[ . 1 . 2]" 1
992 1 94 VAL MG1 1 95 LYS H . . 6.500 3.589 2.377 4.258 . 0 0 "[ . 1 . 2]" 1
993 1 94 VAL MG1 1 95 LYS HA . . 6.500 4.138 2.909 5.550 . 0 0 "[ . 1 . 2]" 1
994 1 94 VAL MG2 1 95 LYS H . . 6.500 3.560 2.017 4.395 . 0 0 "[ . 1 . 2]" 1
995 1 95 LYS H 1 96 PHE H . . 5.500 2.401 2.130 2.945 . 0 0 "[ . 1 . 2]" 1
996 1 95 LYS H 1 96 PHE HA . . 5.500 4.606 4.324 5.083 . 0 0 "[ . 1 . 2]" 1
997 1 95 LYS H 1 97 GLY H . . 5.500 4.908 4.396 5.473 . 0 0 "[ . 1 . 2]" 1
998 1 95 LYS HA 1 96 PHE H . . 5.500 3.579 3.513 3.640 . 0 0 "[ . 1 . 2]" 1
999 1 95 LYS HA 1 96 PHE QD . . 6.500 3.769 2.822 6.225 . 0 0 "[ . 1 . 2]" 1
1000 1 96 PHE H 1 97 GLY H . . 5.500 3.098 2.841 3.500 . 0 0 "[ . 1 . 2]" 1
1001 1 96 PHE HA 1 97 GLY H . . 5.500 2.646 2.391 2.859 . 0 0 "[ . 1 . 2]" 1
1002 1 96 PHE HA 1 97 GLY QA . . 6.500 4.125 3.960 4.267 . 0 0 "[ . 1 . 2]" 1
1003 1 97 GLY QA 1 98 PRO HA . . 6.500 4.053 3.978 4.141 . 0 0 "[ . 1 . 2]" 1
1004 1 98 PRO HA 1 99 GLY H . . 5.500 2.507 2.150 3.508 . 0 0 "[ . 1 . 2]" 1
1005 1 98 PRO HA 1 99 GLY QA . . 6.500 3.949 3.829 4.233 . 0 0 "[ . 1 . 2]" 1
1006 1 98 PRO HA 1 100 ALA H . . 5.500 4.988 3.284 5.690 0.190 14 0 "[ . 1 . 2]" 1
1007 1 99 GLY H 1 100 ALA H . . 5.500 3.673 1.772 4.362 . 0 0 "[ . 1 . 2]" 1
1008 1 99 GLY QA 1 100 ALA H . . 6.500 2.403 2.219 2.962 . 0 0 "[ . 1 . 2]" 1
1009 1 99 GLY QA 1 100 ALA HA . . 6.500 4.020 3.978 4.069 . 0 0 "[ . 1 . 2]" 1
1010 1 100 ALA H 1 101 VAL H . . 5.500 4.522 4.442 4.613 . 0 0 "[ . 1 . 2]" 1
1011 1 100 ALA H 1 103 LYS H . . 5.500 3.318 3.056 3.660 . 0 0 "[ . 1 . 2]" 1
1012 1 100 ALA H 1 104 GLU H . . 5.500 4.524 3.688 5.697 0.197 4 0 "[ . 1 . 2]" 1
1013 1 100 ALA HA 1 101 VAL H . . 5.500 2.488 2.316 2.636 . 0 0 "[ . 1 . 2]" 1
1014 1 100 ALA HA 1 101 VAL HA . . 5.500 4.281 4.273 4.289 . 0 0 "[ . 1 . 2]" 1
1015 1 100 ALA HA 1 101 VAL HB . . 5.500 5.214 4.261 5.899 0.399 4 0 "[ . 1 . 2]" 1
1016 1 100 ALA HA 1 101 VAL QG . . 6.500 3.720 3.317 4.473 . 0 0 "[ . 1 . 2]" 1
1017 1 100 ALA HA 1 102 ILE H . . 5.500 4.307 4.035 4.651 . 0 0 "[ . 1 . 2]" 1
1018 1 100 ALA HA 1 103 LYS H . . 5.500 4.531 4.307 4.985 . 0 0 "[ . 1 . 2]" 1
1019 1 100 ALA MB 1 101 VAL H . . 6.500 2.500 2.155 2.847 . 0 0 "[ . 1 . 2]" 1
1020 1 100 ALA MB 1 102 ILE H . . 6.500 2.576 2.297 2.843 . 0 0 "[ . 1 . 2]" 1
1021 1 100 ALA MB 1 102 ILE HB . . 6.500 3.407 2.461 4.776 . 0 0 "[ . 1 . 2]" 1
1022 1 100 ALA MB 1 103 LYS H . . 6.500 2.792 2.343 3.528 . 0 0 "[ . 1 . 2]" 1
1023 1 101 VAL H 1 102 ILE H . . 5.500 2.731 2.592 2.861 . 0 0 "[ . 1 . 2]" 1
1024 1 101 VAL H 1 103 LYS H . . 5.500 4.248 3.995 4.633 . 0 0 "[ . 1 . 2]" 1
1025 1 101 VAL H 1 104 GLU H . . 5.500 4.840 4.530 5.264 . 0 0 "[ . 1 . 2]" 1
1026 1 101 VAL HA 1 102 ILE H . . 5.500 3.587 3.572 3.623 . 0 0 "[ . 1 . 2]" 1
1027 1 101 VAL HA 1 102 ILE HA . . 5.500 4.821 4.765 4.913 . 0 0 "[ . 1 . 2]" 1
1028 1 101 VAL HA 1 103 LYS H . . 5.500 4.241 3.846 4.723 . 0 0 "[ . 1 . 2]" 1
1029 1 101 VAL HA 1 104 GLU H . . 5.500 3.229 2.943 3.613 . 0 0 "[ . 1 . 2]" 1
1030 1 101 VAL HA 1 105 PHE H . . 5.500 4.636 3.640 5.610 0.110 16 0 "[ . 1 . 2]" 1
1031 1 101 VAL HB 1 102 ILE H . . 5.500 3.556 2.537 4.125 . 0 0 "[ . 1 . 2]" 1
1032 1 101 VAL HB 1 102 ILE HA . . 5.500 4.784 4.057 5.679 0.179 18 0 "[ . 1 . 2]" 1
1033 1 101 VAL HB 1 102 ILE HB . . 5.500 5.544 4.541 5.946 0.446 6 0 "[ . 1 . 2]" 1
1034 1 101 VAL QG 1 102 ILE H . . 6.500 2.350 1.874 3.321 . 0 0 "[ . 1 . 2]" 1
1035 1 101 VAL QG 1 102 ILE HA . . 6.500 3.268 2.663 3.897 . 0 0 "[ . 1 . 2]" 1
1036 1 102 ILE H 1 103 LYS H . . 5.500 2.734 2.603 3.012 . 0 0 "[ . 1 . 2]" 1
1037 1 102 ILE H 1 104 GLU H . . 5.500 4.165 3.915 4.584 . 0 0 "[ . 1 . 2]" 1
1038 1 102 ILE HA 1 103 LYS H . . 5.500 3.597 3.570 3.634 . 0 0 "[ . 1 . 2]" 1
1039 1 102 ILE HA 1 103 LYS HA . . 5.500 4.786 4.728 4.874 . 0 0 "[ . 1 . 2]" 1
1040 1 102 ILE HA 1 104 GLU H . . 5.500 4.354 3.943 4.806 . 0 0 "[ . 1 . 2]" 1
1041 1 102 ILE HA 1 105 PHE H . . 5.500 3.475 3.156 3.735 . 0 0 "[ . 1 . 2]" 1
1042 1 102 ILE HB 1 103 LYS H . . 5.500 3.451 2.472 4.114 . 0 0 "[ . 1 . 2]" 1
1043 1 102 ILE HB 1 103 LYS HA . . 5.500 5.152 4.415 5.691 0.191 14 0 "[ . 1 . 2]" 1
1044 1 102 ILE MG 1 103 LYS H . . 6.500 2.560 1.870 3.880 . 0 0 "[ . 1 . 2]" 1
1045 1 102 ILE MG 1 103 LYS HA . . 6.500 3.402 2.823 5.440 . 0 0 "[ . 1 . 2]" 1
1046 1 103 LYS H 1 104 GLU H . . 5.500 2.694 2.581 2.969 . 0 0 "[ . 1 . 2]" 1
1047 1 103 LYS H 1 105 PHE H . . 5.500 4.216 3.831 4.550 . 0 0 "[ . 1 . 2]" 1
1048 1 103 LYS HA 1 104 GLU H . . 5.500 3.598 3.569 3.634 . 0 0 "[ . 1 . 2]" 1
1049 1 103 LYS HA 1 105 PHE H . . 5.500 4.189 3.757 4.649 . 0 0 "[ . 1 . 2]" 1
1050 1 103 LYS HA 1 106 LYS H . . 5.500 3.425 3.047 3.871 . 0 0 "[ . 1 . 2]" 1
1051 1 104 GLU H 1 105 PHE H . . 5.500 2.824 2.626 2.991 . 0 0 "[ . 1 . 2]" 1
1052 1 104 GLU H 1 106 LYS H . . 5.500 4.254 4.089 4.463 . 0 0 "[ . 1 . 2]" 1
1053 1 104 GLU HA 1 105 PHE H . . 5.500 3.597 3.571 3.633 . 0 0 "[ . 1 . 2]" 1
1054 1 104 GLU HA 1 106 LYS H . . 5.500 4.009 3.799 4.347 . 0 0 "[ . 1 . 2]" 1
1055 1 104 GLU HA 1 107 ILE H . . 5.500 3.702 3.137 4.023 . 0 0 "[ . 1 . 2]" 1
1056 1 105 PHE H 1 106 LYS H . . 5.500 2.813 2.631 2.903 . 0 0 "[ . 1 . 2]" 1
1057 1 105 PHE H 1 107 ILE H . . 5.500 4.263 4.091 4.545 . 0 0 "[ . 1 . 2]" 1
1058 1 105 PHE HA 1 106 LYS H . . 5.500 3.584 3.579 3.600 . 0 0 "[ . 1 . 2]" 1
1059 1 105 PHE HA 1 107 ILE H . . 5.500 3.664 3.380 4.423 . 0 0 "[ . 1 . 2]" 1
1060 1 105 PHE HA 1 107 ILE MG . . 6.500 3.258 2.330 5.027 . 0 0 "[ . 1 . 2]" 1
1061 1 105 PHE HA 1 108 THR H . . 5.500 3.931 3.620 4.634 . 0 0 "[ . 1 . 2]" 1
1062 1 105 PHE HA 1 109 ASP H . . 5.500 3.948 3.181 5.126 . 0 0 "[ . 1 . 2]" 1
1063 1 105 PHE QR 1 109 ASP H . . 6.500 3.580 1.935 4.653 . 0 0 "[ . 1 . 2]" 1
1064 1 105 PHE QR 1 109 ASP HA . . 6.500 3.964 3.156 4.758 . 0 0 "[ . 1 . 2]" 1
1065 1 105 PHE QD 1 106 LYS H . . 6.500 3.718 1.955 4.654 . 0 0 "[ . 1 . 2]" 1
1066 1 105 PHE QD 1 108 THR H . . 6.500 4.556 3.158 5.676 . 0 0 "[ . 1 . 2]" 1
1067 1 105 PHE QD 1 109 ASP H . . 6.500 3.696 1.949 4.805 . 0 0 "[ . 1 . 2]" 1
1068 1 105 PHE QD 1 109 ASP HA . . 6.500 4.316 3.400 4.961 . 0 0 "[ . 1 . 2]" 1
1069 1 105 PHE QE 1 109 ASP H . . 6.500 5.063 3.244 6.219 . 0 0 "[ . 1 . 2]" 1
1070 1 105 PHE QE 1 109 ASP HA . . 6.500 4.889 3.742 6.574 0.074 11 0 "[ . 1 . 2]" 1
1071 1 106 LYS H 1 107 ILE H . . 5.500 2.816 2.624 2.962 . 0 0 "[ . 1 . 2]" 1
1072 1 106 LYS H 1 108 THR H . . 5.500 4.466 4.110 4.960 . 0 0 "[ . 1 . 2]" 1
1073 1 106 LYS H 1 109 ASP H . . 5.500 5.224 4.475 6.111 0.611 15 1 "[ . 1 + 2]" 1
1074 1 106 LYS HA 1 107 ILE H . . 5.500 3.537 3.440 3.620 . 0 0 "[ . 1 . 2]" 1
1075 1 106 LYS HA 1 108 THR H . . 5.500 3.589 3.336 3.870 . 0 0 "[ . 1 . 2]" 1
1076 1 106 LYS HA 1 109 ASP H . . 5.500 4.224 3.359 5.202 . 0 0 "[ . 1 . 2]" 1
1077 1 106 LYS HA 1 109 ASP HA . . 5.500 5.366 4.667 6.113 0.613 17 1 "[ . 1 . + 2]" 1
1078 1 107 ILE H 1 108 THR H . . 5.500 2.944 2.669 3.173 . 0 0 "[ . 1 . 2]" 1
1079 1 107 ILE H 1 109 ASP H . . 5.500 4.594 4.209 5.196 . 0 0 "[ . 1 . 2]" 1
1080 1 107 ILE HA 1 108 THR H . . 5.500 3.569 3.440 3.621 . 0 0 "[ . 1 . 2]" 1
1081 1 107 ILE HA 1 108 THR HA . . 5.500 4.551 4.485 4.668 . 0 0 "[ . 1 . 2]" 1
1082 1 107 ILE HB 1 108 THR H . . 5.500 3.903 3.291 4.177 . 0 0 "[ . 1 . 2]" 1
1083 1 107 ILE MG 1 108 THR H . . 6.500 2.765 1.868 4.130 . 0 0 "[ . 1 . 2]" 1
1084 1 107 ILE MG 1 108 THR MG . . 8.000 3.161 1.857 6.014 . 0 0 "[ . 1 . 2]" 1
1085 1 107 ILE MG 1 109 ASP H . . 6.500 3.969 2.357 5.794 . 0 0 "[ . 1 . 2]" 1
1086 1 108 THR H 1 109 ASP H . . 5.500 2.069 1.831 2.564 . 0 0 "[ . 1 . 2]" 1
1087 1 108 THR H 1 109 ASP HA . . 5.500 4.480 4.304 4.672 . 0 0 "[ . 1 . 2]" 1
1088 1 108 THR HA 1 109 ASP H . . 5.500 3.616 3.571 3.633 . 0 0 "[ . 1 . 2]" 1
1089 1 108 THR HB 1 109 ASP H . . 5.500 3.405 2.492 4.080 . 0 0 "[ . 1 . 2]" 1
1090 1 108 THR HB 1 109 ASP HA . . 5.500 4.794 3.956 5.639 0.139 19 0 "[ . 1 . 2]" 1
1091 1 108 THR MG 1 109 ASP H . . 6.500 2.971 1.693 3.924 . 0 0 "[ . 1 . 2]" 1
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