Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610488 | 2n98 RC | 25886 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n98
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 1474
_Distance_constraint_stats_list.Viol_count 4159
_Distance_constraint_stats_list.Viol_total 21559.672
_Distance_constraint_stats_list.Viol_max 0.957
_Distance_constraint_stats_list.Viol_rms 0.0665
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0163
_Distance_constraint_stats_list.Viol_average_violations_only 0.1728
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 4 SER 0.150 0.058 23 0 "[ . 1 . 2 . 3]"
1 5 ASP 3.796 0.405 8 0 "[ . 1 . 2 . 3]"
1 6 LEU 29.898 0.957 17 2 "[ . 1 . + -2 . 3]"
1 7 SER 12.579 0.618 26 3 "[ - . 1* . 2 .+ 3]"
1 8 THR 13.338 0.720 26 6 "[ *. 1 . 2*** -+ 3]"
1 9 ALA 22.752 0.618 26 5 "[ * . 1* . 2* -+ 3]"
1 10 PRO 32.087 0.957 17 6 "[ *. 1 . + -2 ** .* 3]"
1 11 THR 6.906 0.461 6 0 "[ . 1 . 2 . 3]"
1 12 LEU 5.100 0.223 25 0 "[ . 1 . 2 . 3]"
1 13 ASP 13.761 0.487 29 0 "[ . 1 . 2 . 3]"
1 14 SER 26.728 0.686 19 2 "[ . 1 . -+2 . 3]"
1 15 LEU 58.252 0.554 17 2 "[ . 1 . + - . 3]"
1 16 ARG 14.147 0.284 17 0 "[ . 1 . 2 . 3]"
1 17 VAL 55.509 0.686 19 2 "[ . 1 . -+2 . 3]"
1 18 TRP 37.044 0.548 21 1 "[ . 1 . 2+ . 3]"
1 19 LEU 29.471 0.551 23 1 "[ . 1 . 2 + . 3]"
1 20 VAL 3.101 0.515 11 2 "[ . 1+ . 2 . - 3]"
1 21 ASP 16.772 0.515 11 2 "[ . 1+ . 2 . - 3]"
1 22 CYS 0.567 0.235 8 0 "[ . 1 . 2 . 3]"
1 23 VAL 3.048 0.303 28 0 "[ . 1 . 2 . 3]"
1 24 ALA 2.145 0.152 14 0 "[ . 1 . 2 . 3]"
1 25 GLY 0.272 0.058 28 0 "[ . 1 . 2 . 3]"
1 26 HIS 5.909 0.460 12 0 "[ . 1 . 2 . 3]"
1 27 LEU 17.039 0.460 12 0 "[ . 1 . 2 . 3]"
1 28 GLY 0.451 0.241 13 0 "[ . 1 . 2 . 3]"
1 29 LEU 4.381 0.459 12 0 "[ . 1 . 2 . 3]"
1 30 ASP 2.056 0.227 12 0 "[ . 1 . 2 . 3]"
1 31 ALA 15.395 0.576 8 3 "[ . + 1 - . * 2 . 3]"
1 32 ALA 1.655 0.227 12 0 "[ . 1 . 2 . 3]"
1 33 THR 13.698 0.601 5 2 "[ + 1 - . 2 . 3]"
1 34 ILE 42.226 0.601 5 4 "[ + * 1 - . * 2 . 3]"
1 35 ALA 0.461 0.115 28 0 "[ . 1 . 2 . 3]"
1 36 THR 8.538 0.302 1 0 "[ . 1 . 2 . 3]"
1 37 ASP 4.901 0.361 29 0 "[ . 1 . 2 . 3]"
1 38 LEU 33.378 0.469 22 0 "[ . 1 . 2 . 3]"
1 39 PRO 7.677 0.373 28 0 "[ . 1 . 2 . 3]"
1 40 LEU 35.784 0.651 28 2 "[ . 1 . - 2 . + 3]"
1 41 THR 3.192 0.509 17 1 "[ . 1 . + 2 . 3]"
1 42 SER 12.520 0.469 22 0 "[ . 1 . 2 . 3]"
1 43 TYR 8.268 0.320 15 0 "[ . 1 . 2 . 3]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 LEU 32.201 0.651 28 1 "[ . 1 . 2 . + 3]"
1 46 ASP 0.253 0.127 21 0 "[ . 1 . 2 . 3]"
1 47 SER 0.581 0.094 21 0 "[ . 1 . 2 . 3]"
1 48 VAL 0.451 0.094 21 0 "[ . 1 . 2 . 3]"
1 49 TYR 18.372 0.499 21 0 "[ . 1 . 2 . 3]"
1 50 ALA 2.615 0.296 4 0 "[ . 1 . 2 . 3]"
1 51 LEU 17.498 0.500 16 0 "[ . 1 . 2 . 3]"
1 52 SER 15.940 0.500 16 0 "[ . 1 . 2 . 3]"
1 53 ILE 15.178 0.463 20 0 "[ . 1 . 2 . 3]"
1 54 ALA 4.759 0.197 26 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 GLU 1.242 0.135 6 0 "[ . 1 . 2 . 3]"
1 57 LEU 22.719 0.548 21 2 "[ . -1 . 2+ . 3]"
1 58 GLU 30.587 0.501 17 1 "[ . 1 . + 2 . 3]"
1 59 ASP 0.118 0.096 6 0 "[ . 1 . 2 . 3]"
1 60 HIS 21.429 0.879 25 4 "[ .* 1 * 2 -+ 3]"
1 61 LEU 60.407 0.879 25 6 "[ .* 1 - * 2 * *+ 3]"
1 62 ASP 25.907 0.613 25 6 "[ * . 1 - . 2* *+ *]"
1 63 VAL 63.161 0.613 25 6 "[ * . 1 - . 2* *+ *]"
1 64 SER 1.804 0.398 9 0 "[ . 1 . 2 . 3]"
1 65 LEU 27.165 0.509 9 2 "[ . +1 . - 2 . 3]"
1 66 ASP 32.271 0.713 29 4 "[ . * 1 . 2 * . - +3]"
1 67 PRO 4.403 0.257 8 0 "[ . 1 . 2 . 3]"
1 68 THR 0.748 0.180 2 0 "[ . 1 . 2 . 3]"
1 69 LEU 62.786 0.713 29 4 "[ . * 1 . 2 * . - +3]"
1 70 ILE 14.274 0.272 8 0 "[ . 1 . 2 . 3]"
1 71 TRP 4.212 0.241 28 0 "[ . 1 . 2 . 3]"
1 72 ASP 9.464 0.409 28 0 "[ . 1 . 2 . 3]"
1 73 HIS 14.291 0.388 27 0 "[ . 1 . 2 . 3]"
1 74 PRO 11.997 0.293 18 0 "[ . 1 . 2 . 3]"
1 75 THR 12.310 0.207 14 0 "[ . 1 . 2 . 3]"
1 76 ILE 15.888 0.731 23 1 "[ . 1 . 2 + . 3]"
1 77 ASP 3.109 0.361 29 0 "[ . 1 . 2 . 3]"
1 78 ALA 3.877 0.293 18 0 "[ . 1 . 2 . 3]"
1 79 LEU 28.948 0.447 24 0 "[ . 1 . 2 . 3]"
1 80 SER 0.413 0.064 29 0 "[ . 1 . 2 . 3]"
1 81 THR 3.932 0.155 18 0 "[ . 1 . 2 . 3]"
1 82 ALA 0.683 0.091 19 0 "[ . 1 . 2 . 3]"
1 83 LEU 49.809 0.666 24 5 "[ . 1* . * - +* 3]"
1 84 VAL 9.837 0.437 19 0 "[ . 1 . 2 . 3]"
1 85 ALA 10.703 0.617 30 3 "[ . 1 - 2 * +]"
1 86 GLU 17.071 0.666 24 2 "[ . 1 . 2 +- 3]"
1 87 LEU 17.072 0.617 30 2 "[ . 1 - 2 . +]"
1 88 ARG 4.861 0.425 30 0 "[ . 1 . 2 . 3]"
1 89 SER 0.962 0.313 28 0 "[ . 1 . 2 . 3]"
1 90 ALA 0.183 0.088 8 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 MET HA 1 3 MET QG 3.650 . 3.650 2.539 2.263 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 4 SER HA 1 5 ASP H 3.510 . 3.510 2.627 2.135 3.568 0.058 23 0 "[ . 1 . 2 . 3]" 1
3 1 4 SER HB3 1 5 ASP H 5.400 . 5.400 3.661 1.821 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 4 SER HB2 1 5 ASP H 5.400 . 5.400 3.716 1.888 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 5 ASP H 1 5 ASP HB3 3.710 . 3.710 3.393 2.755 4.025 0.315 12 0 "[ . 1 . 2 . 3]" 1
6 1 5 ASP H 1 5 ASP HB2 3.710 . 3.710 3.213 2.390 3.972 0.262 18 0 "[ . 1 . 2 . 3]" 1
7 1 5 ASP H 1 5 ASP QB 3.210 . 3.210 2.804 2.356 3.458 0.248 6 0 "[ . 1 . 2 . 3]" 1
8 1 5 ASP H 1 6 LEU H 3.070 . 3.070 2.716 1.505 3.475 0.405 8 0 "[ . 1 . 2 . 3]" 1
9 1 6 LEU HA 1 6 LEU QD 3.190 . 3.190 2.525 1.951 3.402 0.212 2 0 "[ . 1 . 2 . 3]" 1
10 1 6 LEU HA 1 6 LEU HG 4.200 . 4.200 2.920 2.243 4.276 0.076 15 0 "[ . 1 . 2 . 3]" 1
11 1 6 LEU HA 1 7 SER QB 5.020 . 5.020 4.369 3.864 5.133 0.113 15 0 "[ . 1 . 2 . 3]" 1
12 1 6 LEU HA 1 7 SER H 3.470 . 3.470 3.104 2.146 3.583 0.113 22 0 "[ . 1 . 2 . 3]" 1
13 1 6 LEU HB3 1 6 LEU MD1 3.520 . 3.520 2.802 2.267 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 6 LEU HB3 1 6 LEU MD2 3.520 . 3.520 2.355 2.139 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 6 LEU HB2 1 6 LEU MD1 3.520 . 3.520 2.354 2.158 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 6 LEU HB2 1 6 LEU MD2 3.520 . 3.520 2.760 2.197 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 6 LEU QB 1 10 PRO QB 3.570 . 3.570 3.692 2.267 4.527 0.957 17 2 "[ . 1 . + -2 . 3]" 1
18 1 6 LEU QB 1 6 LEU QD 1.570 . 1.570 1.907 1.874 2.016 0.446 15 0 "[ . 1 . 2 . 3]" 1
19 1 6 LEU QB 1 7 SER H 4.330 . 4.330 2.602 1.616 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 6 LEU QD 1 10 PRO QB 2.700 . 2.700 2.514 1.891 3.146 0.446 6 0 "[ . 1 . 2 . 3]" 1
21 1 6 LEU QD 1 10 PRO QG 2.740 . 2.740 2.517 1.961 3.118 0.378 15 0 "[ . 1 . 2 . 3]" 1
22 1 6 LEU QD 1 11 THR H 5.440 . 5.440 4.295 2.884 5.901 0.461 6 0 "[ . 1 . 2 . 3]" 1
23 1 6 LEU QD 1 7 SER QB 3.740 . 3.740 3.501 2.129 4.122 0.382 26 0 "[ . 1 . 2 . 3]" 1
24 1 6 LEU QD 1 7 SER H 5.440 . 5.440 2.656 1.634 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 6 LEU QD 1 9 ALA H 5.180 . 5.180 4.023 2.554 5.437 0.257 22 0 "[ . 1 . 2 . 3]" 1
26 1 6 LEU H 1 6 LEU QB 3.170 . 3.170 2.635 2.148 3.279 0.109 1 0 "[ . 1 . 2 . 3]" 1
27 1 6 LEU H 1 6 LEU MD1 4.710 . 4.710 3.936 1.773 4.817 0.107 18 0 "[ . 1 . 2 . 3]" 1
28 1 6 LEU H 1 6 LEU MD2 4.710 . 4.710 3.991 2.102 5.008 0.298 13 0 "[ . 1 . 2 . 3]" 1
29 1 6 LEU H 1 6 LEU QD 3.990 . 3.990 3.369 1.770 4.094 0.104 21 0 "[ . 1 . 2 . 3]" 1
30 1 6 LEU H 1 6 LEU HG 4.970 . 4.970 3.879 1.995 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 6 LEU H 1 7 SER H 4.640 . 4.640 3.417 1.559 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 7 SER HA 1 9 ALA MB 5.500 . 5.500 5.405 4.542 6.118 0.618 26 3 "[ - . 1* . 2 .+ 3]" 1
33 1 7 SER HB3 1 9 ALA H 4.590 . 4.590 3.809 2.375 4.926 0.336 14 0 "[ . 1 . 2 . 3]" 1
34 1 7 SER HB2 1 9 ALA H 4.590 . 4.590 4.093 2.568 5.000 0.410 9 0 "[ . 1 . 2 . 3]" 1
35 1 7 SER QB 1 8 THR H 4.450 . 4.450 2.664 1.768 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 7 SER QB 1 9 ALA H 3.860 . 3.860 3.380 2.295 4.165 0.305 26 0 "[ . 1 . 2 . 3]" 1
37 1 7 SER H 1 8 THR H 4.590 . 4.590 3.830 1.726 4.659 0.069 7 0 "[ . 1 . 2 . 3]" 1
38 1 7 SER H 1 9 ALA MB 6.500 . 6.500 5.406 3.567 6.140 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 7 SER H 1 9 ALA H 4.600 . 4.600 3.738 2.361 4.771 0.171 19 0 "[ . 1 . 2 . 3]" 1
40 1 8 THR HB 1 10 PRO HD3 5.120 . 5.120 5.091 3.950 5.840 0.720 26 4 "[ *. 1 . 2 *- .+ 3]" 1
41 1 8 THR HB 1 9 ALA MB 4.310 . 4.310 4.128 3.259 4.839 0.529 26 1 "[ . 1 . 2 .+ 3]" 1
42 1 8 THR HB 1 9 ALA H 4.180 . 4.180 3.781 2.307 4.451 0.271 26 0 "[ . 1 . 2 . 3]" 1
43 1 8 THR HG1 1 9 ALA H 5.500 . 5.500 4.533 3.234 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 8 THR H 1 8 THR HB 3.710 . 3.710 3.339 2.450 3.995 0.285 27 0 "[ . 1 . 2 . 3]" 1
45 1 8 THR H 1 8 THR HG1 4.140 . 4.140 3.001 1.581 4.167 0.027 26 0 "[ . 1 . 2 . 3]" 1
46 1 8 THR H 1 8 THR MG 4.010 . 4.010 3.376 1.835 4.071 0.061 2 0 "[ . 1 . 2 . 3]" 1
47 1 8 THR H 1 9 ALA MB 4.400 . 4.400 4.379 3.158 5.014 0.614 21 2 "[ . 1 . 2+ - 3]" 1
48 1 8 THR H 1 9 ALA H 3.330 . 3.330 2.824 1.625 3.461 0.131 18 0 "[ . 1 . 2 . 3]" 1
49 1 9 ALA HA 1 10 PRO HD3 3.380 . 3.380 2.688 2.274 3.410 0.030 5 0 "[ . 1 . 2 . 3]" 1
50 1 9 ALA HA 1 10 PRO HD2 3.510 . 3.510 2.410 2.019 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 9 ALA HA 1 87 LEU QD 3.630 . 3.630 2.888 1.949 3.782 0.152 18 0 "[ . 1 . 2 . 3]" 1
52 1 9 ALA MB 1 10 PRO HD3 4.380 . 4.380 3.932 3.789 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 9 ALA MB 1 10 PRO HD2 3.980 . 3.980 3.891 3.122 4.237 0.257 20 0 "[ . 1 . 2 . 3]" 1
54 1 9 ALA MB 1 87 LEU MD1 4.560 . 4.560 4.156 2.235 4.835 0.275 27 0 "[ . 1 . 2 . 3]" 1
55 1 9 ALA MB 1 87 LEU MD2 4.560 . 4.560 3.717 2.206 4.674 0.114 22 0 "[ . 1 . 2 . 3]" 1
56 1 9 ALA MB 1 87 LEU QD 3.530 . 3.530 3.392 2.155 3.761 0.231 28 0 "[ . 1 . 2 . 3]" 1
57 1 9 ALA H 1 10 PRO HD3 5.500 . 5.500 2.565 1.711 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 9 ALA H 1 10 PRO HD2 4.630 . 4.630 3.756 3.063 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 9 ALA H 1 9 ALA MB 3.550 . 3.550 2.748 2.380 3.114 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 10 PRO HA 1 11 THR H 3.080 . 3.080 2.305 2.161 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 10 PRO HB3 1 15 LEU MD1 3.540 . 3.540 2.930 2.081 3.869 0.329 29 0 "[ . 1 . 2 . 3]" 1
62 1 10 PRO HB3 1 15 LEU MD2 3.540 . 3.540 3.085 2.074 3.908 0.368 25 0 "[ . 1 . 2 . 3]" 1
63 1 10 PRO HB2 1 15 LEU MD1 3.540 . 3.540 2.362 1.915 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 10 PRO HB2 1 15 LEU MD2 3.540 . 3.540 2.581 2.095 3.568 0.028 24 0 "[ . 1 . 2 . 3]" 1
65 1 10 PRO QB 1 11 THR H 3.850 . 3.850 3.038 2.312 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 10 PRO QB 1 15 LEU QD 1.570 . 1.570 1.920 1.803 2.063 0.493 18 0 "[ . 1 . 2 . 3]" 1
67 1 10 PRO HD3 1 87 LEU MD1 5.470 . 5.470 3.868 2.689 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 10 PRO HD3 1 87 LEU MD2 5.470 . 5.470 3.908 2.983 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 10 PRO HD3 1 87 LEU QD 4.500 . 4.500 3.380 2.605 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 10 PRO HD2 1 87 LEU QB 4.900 . 4.900 4.314 3.436 5.353 0.453 15 0 "[ . 1 . 2 . 3]" 1
71 1 10 PRO HD2 1 87 LEU MD1 4.510 . 4.510 2.760 2.070 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 10 PRO HD2 1 87 LEU MD2 4.510 . 4.510 2.641 2.073 4.597 0.087 30 0 "[ . 1 . 2 . 3]" 1
73 1 10 PRO HD2 1 87 LEU QD 3.510 . 3.510 2.318 1.880 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 11 THR HA 1 11 THR MG 2.840 . 2.840 2.281 2.222 3.175 0.335 25 0 "[ . 1 . 2 . 3]" 1
75 1 11 THR HA 1 12 LEU HA 4.360 . 4.360 4.295 4.276 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 11 THR HA 1 12 LEU HB2 5.030 . 5.030 4.713 4.586 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 11 THR HA 1 12 LEU MD1 4.530 . 4.530 3.202 2.870 4.712 0.182 29 0 "[ . 1 . 2 . 3]" 1
78 1 11 THR HA 1 12 LEU H 3.310 . 3.310 2.287 2.230 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 11 THR HA 1 84 VAL MG2 4.170 . 4.170 4.272 4.072 4.453 0.283 20 0 "[ . 1 . 2 . 3]" 1
80 1 11 THR HB 1 12 LEU H 3.650 . 3.650 3.687 3.565 3.873 0.223 25 0 "[ . 1 . 2 . 3]" 1
81 1 11 THR HB 1 13 ASP H 3.870 . 3.870 3.198 2.822 4.184 0.314 25 0 "[ . 1 . 2 . 3]" 1
82 1 11 THR HB 1 14 SER H 4.290 . 4.290 2.582 2.290 4.369 0.079 25 0 "[ . 1 . 2 . 3]" 1
83 1 11 THR HG1 1 14 SER QB 5.340 . 5.340 4.334 3.288 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 11 THR MG 1 12 LEU HA 4.370 . 4.370 4.080 3.878 4.539 0.169 25 0 "[ . 1 . 2 . 3]" 1
85 1 11 THR MG 1 12 LEU HB3 5.340 . 5.340 4.336 4.049 5.362 0.022 25 0 "[ . 1 . 2 . 3]" 1
86 1 11 THR MG 1 12 LEU HB2 5.240 . 5.240 3.017 2.653 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 11 THR MG 1 12 LEU H 4.480 . 4.480 2.087 1.773 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 11 THR MG 1 13 ASP HA 5.490 . 5.490 4.530 3.879 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 11 THR MG 1 13 ASP QB 3.730 . 3.730 3.345 2.250 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 11 THR MG 1 13 ASP H 4.170 . 4.170 2.013 1.874 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 11 THR MG 1 14 SER QB 5.340 . 5.340 4.385 2.264 5.021 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 11 THR MG 1 14 SER H 4.730 . 4.730 3.311 1.724 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 11 THR H 1 11 THR HG1 3.860 . 3.860 3.103 2.462 4.149 0.289 25 0 "[ . 1 . 2 . 3]" 1
94 1 11 THR H 1 11 THR MG 4.380 . 4.380 3.777 1.794 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 11 THR H 1 12 LEU H 5.210 . 5.210 4.503 4.438 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 11 THR H 1 14 SER QB 4.200 . 4.200 2.720 2.264 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 11 THR H 1 15 LEU QD 5.440 . 5.440 3.352 2.631 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 12 LEU HA 1 12 LEU MD1 3.690 . 3.690 2.986 2.611 3.739 0.049 9 0 "[ . 1 . 2 . 3]" 1
99 1 12 LEU HA 1 12 LEU MD2 4.020 . 4.020 3.503 2.423 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 12 LEU HA 1 12 LEU HG 3.880 . 3.880 2.337 2.279 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 12 LEU HA 1 14 SER H 5.120 . 5.120 4.399 4.226 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 12 LEU HA 1 15 LEU QD 3.480 . 3.480 2.708 2.067 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 12 LEU HA 1 15 LEU H 4.130 . 4.130 3.569 3.455 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 12 LEU HA 1 84 VAL HB 3.990 . 3.990 3.273 2.987 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 12 LEU HA 1 84 VAL MG1 4.550 . 4.550 4.373 4.013 4.567 0.017 27 0 "[ . 1 . 2 . 3]" 1
106 1 12 LEU HA 1 84 VAL MG2 4.010 . 4.010 3.404 2.914 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 12 LEU HB3 1 13 ASP H 3.860 . 3.860 3.537 3.261 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 12 LEU HB3 1 84 VAL MG2 5.000 . 5.000 4.349 3.862 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 12 LEU HB2 1 12 LEU MD1 2.860 . 2.860 2.235 2.163 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 12 LEU HB2 1 12 LEU MD2 3.540 . 3.540 2.570 2.360 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 12 LEU HB2 1 13 ASP H 3.420 . 3.420 2.676 2.344 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 12 LEU HB2 1 14 SER H 5.500 . 5.500 5.051 4.767 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 12 LEU MD1 1 13 ASP H 4.990 . 4.990 3.795 3.179 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 12 LEU HG 1 84 VAL HA 4.830 . 4.830 4.811 4.102 5.027 0.197 30 0 "[ . 1 . 2 . 3]" 1
115 1 12 LEU HG 1 84 VAL MG2 3.490 . 3.490 2.181 2.038 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 12 LEU HG 1 84 VAL H 5.500 . 5.500 5.271 4.737 5.701 0.201 2 0 "[ . 1 . 2 . 3]" 1
117 1 12 LEU H 1 12 LEU HB3 3.610 . 3.610 3.587 3.548 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 12 LEU H 1 12 LEU HB2 3.210 . 3.210 2.457 2.288 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 12 LEU H 1 12 LEU MD1 4.110 . 4.110 1.827 1.618 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 12 LEU H 1 12 LEU MD2 4.020 . 4.020 3.790 3.688 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 12 LEU H 1 12 LEU HG 5.500 . 5.500 3.135 2.251 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 12 LEU H 1 13 ASP H 3.720 . 3.720 2.857 2.805 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 12 LEU H 1 14 SER H 5.500 . 5.500 4.248 4.106 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 12 LEU H 1 84 VAL MG2 4.670 . 4.670 3.724 3.503 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 13 ASP HA 1 16 ARG HB3 4.680 . 4.680 2.772 2.636 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 13 ASP HA 1 16 ARG HB2 4.680 . 4.680 3.981 3.758 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 13 ASP HA 1 16 ARG QB 4.090 . 4.090 2.722 2.588 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 13 ASP HA 1 16 ARG QD 3.960 . 3.960 3.524 3.333 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 ASP HA 1 16 ARG QG 5.340 . 5.340 4.659 4.503 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 13 ASP HA 1 16 ARG H 4.050 . 4.050 4.067 3.917 4.189 0.139 29 0 "[ . 1 . 2 . 3]" 1
131 1 13 ASP HB3 1 14 SER H 4.020 . 4.020 3.967 3.836 4.113 0.093 17 0 "[ . 1 . 2 . 3]" 1
132 1 13 ASP HB3 1 17 VAL MG1 3.520 . 3.520 3.207 3.075 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 ASP HB3 1 17 VAL MG2 4.520 . 4.520 4.409 4.352 4.572 0.052 17 0 "[ . 1 . 2 . 3]" 1
134 1 13 ASP HB2 1 14 SER H 4.020 . 4.020 2.711 2.544 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 13 ASP HB2 1 17 VAL MG1 4.520 . 4.520 3.978 3.833 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 13 ASP HB2 1 17 VAL MG2 4.520 . 4.520 4.463 4.288 4.534 0.014 8 0 "[ . 1 . 2 . 3]" 1
137 1 13 ASP QB 1 14 SER HA 4.600 . 4.600 3.808 3.769 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 13 ASP QB 1 14 SER H 3.490 . 3.490 2.667 2.510 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 13 ASP QB 1 17 VAL QG 2.570 . 2.570 2.976 2.882 3.057 0.487 29 0 "[ . 1 . 2 . 3]" 1
140 1 13 ASP H 1 13 ASP HB3 3.870 . 3.870 3.585 3.536 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 13 ASP H 1 13 ASP HB2 3.870 . 3.870 2.790 2.733 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 13 ASP H 1 13 ASP QB 3.210 . 3.210 2.697 2.656 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 13 ASP H 1 14 SER H 3.310 . 3.310 2.617 2.477 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 13 ASP H 1 16 ARG H 5.100 . 5.100 5.015 4.930 5.172 0.072 24 0 "[ . 1 . 2 . 3]" 1
145 1 14 SER HA 1 17 VAL HB 4.750 . 4.750 4.837 4.783 4.876 0.126 26 0 "[ . 1 . 2 . 3]" 1
146 1 14 SER HA 1 17 VAL QG 3.350 . 3.350 2.112 2.078 2.142 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 14 SER HA 1 18 TRP H 4.850 . 4.850 4.304 4.148 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 14 SER HB3 1 17 VAL MG1 5.530 . 5.530 5.420 5.280 5.545 0.015 20 0 "[ . 1 . 2 . 3]" 1
149 1 14 SER HB3 1 17 VAL MG2 4.530 . 4.530 4.149 3.778 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 14 SER HB2 1 17 VAL MG1 5.530 . 5.530 5.609 5.343 5.821 0.291 18 0 "[ . 1 . 2 . 3]" 1
151 1 14 SER HB2 1 17 VAL MG2 3.530 . 3.530 3.845 3.774 4.216 0.686 19 2 "[ . 1 . -+2 . 3]" 1
152 1 14 SER QB 1 15 LEU H 4.260 . 4.260 3.339 2.572 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 14 SER QB 1 17 VAL QG 3.070 . 3.070 3.459 3.406 3.503 0.433 20 0 "[ . 1 . 2 . 3]" 1
154 1 14 SER H 1 14 SER QB 3.160 . 3.160 2.487 2.068 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 14 SER H 1 15 LEU QD 5.440 . 5.440 3.893 2.962 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 14 SER H 1 15 LEU HG 6.500 . 6.500 5.283 3.878 6.535 0.035 27 0 "[ . 1 . 2 . 3]" 1
157 1 14 SER H 1 15 LEU H 3.450 . 3.450 2.630 2.603 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 14 SER H 1 16 ARG H 4.810 . 4.810 4.653 4.570 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 15 LEU HA 1 15 LEU MD1 4.300 . 4.300 2.930 2.032 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 15 LEU HA 1 15 LEU MD2 4.300 . 4.300 2.991 2.120 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 15 LEU HA 1 15 LEU QD 3.250 . 3.250 2.146 2.024 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 15 LEU HA 1 15 LEU HG 3.350 . 3.350 2.921 2.532 3.627 0.277 19 0 "[ . 1 . 2 . 3]" 1
163 1 15 LEU HA 1 18 TRP HB3 3.650 . 3.650 2.298 2.217 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 15 LEU HA 1 18 TRP H 4.070 . 4.070 3.225 3.130 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 15 LEU HA 1 19 LEU MD1 4.480 . 4.480 4.551 4.152 4.657 0.177 2 0 "[ . 1 . 2 . 3]" 1
166 1 15 LEU HB3 1 15 LEU MD1 3.520 . 3.520 2.748 2.329 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 15 LEU HB3 1 15 LEU MD2 3.520 . 3.520 2.453 2.101 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 15 LEU HB3 1 17 VAL H 5.500 . 5.500 5.488 5.300 5.688 0.188 11 0 "[ . 1 . 2 . 3]" 1
169 1 15 LEU HB3 1 83 LEU MD1 3.520 . 3.520 2.314 2.139 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 15 LEU HB3 1 83 LEU MD2 3.520 . 3.520 3.690 3.437 3.851 0.331 11 0 "[ . 1 . 2 . 3]" 1
171 1 15 LEU HB2 1 15 LEU MD1 3.520 . 3.520 2.532 2.202 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 15 LEU HB2 1 15 LEU MD2 3.520 . 3.520 2.668 2.138 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 15 LEU HB2 1 17 VAL H 5.500 . 5.500 4.919 4.819 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 15 LEU HB2 1 83 LEU MD1 3.520 . 3.520 3.734 3.567 3.875 0.355 24 0 "[ . 1 . 2 . 3]" 1
175 1 15 LEU HB2 1 83 LEU MD2 4.520 . 4.520 4.554 4.352 5.074 0.554 17 2 "[ . 1 . + - . 3]" 1
176 1 15 LEU QB 1 15 LEU QD 1.560 . 1.560 1.942 1.855 2.018 0.458 5 0 "[ . 1 . 2 . 3]" 1
177 1 15 LEU QB 1 17 VAL H 4.630 . 4.630 4.584 4.532 4.669 0.039 20 0 "[ . 1 . 2 . 3]" 1
178 1 15 LEU QB 1 18 TRP HD1 5.220 . 5.220 2.550 2.313 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 15 LEU QB 1 83 LEU QB 2.570 . 2.570 2.903 2.622 3.069 0.499 29 0 "[ . 1 . 2 . 3]" 1
180 1 15 LEU QB 1 83 LEU QD 2.570 . 2.570 2.255 2.103 2.909 0.339 20 0 "[ . 1 . 2 . 3]" 1
181 1 15 LEU MD1 1 18 TRP HD1 4.850 . 4.850 4.069 3.198 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 15 LEU MD2 1 18 TRP HD1 4.850 . 4.850 3.818 2.547 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 15 LEU QD 1 16 ARG H 4.900 . 4.900 3.526 2.908 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 15 LEU QD 1 18 TRP HB3 5.440 . 5.440 3.628 3.403 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 15 LEU QD 1 18 TRP HB2 5.440 . 5.440 4.529 4.303 5.412 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 15 LEU QD 1 18 TRP HD1 3.790 . 3.790 3.260 2.532 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 15 LEU QD 1 84 VAL HA 3.430 . 3.430 2.520 2.019 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 15 LEU QD 1 84 VAL HB 2.820 . 2.820 2.639 2.240 3.002 0.182 8 0 "[ . 1 . 2 . 3]" 1
189 1 15 LEU QD 1 84 VAL H 3.490 . 3.490 3.133 2.632 3.927 0.437 19 0 "[ . 1 . 2 . 3]" 1
190 1 15 LEU QD 1 85 ALA H 5.430 . 5.430 4.833 4.356 5.505 0.075 19 0 "[ . 1 . 2 . 3]" 1
191 1 15 LEU H 1 15 LEU QB 3.670 . 3.670 2.404 2.184 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 15 LEU H 1 15 LEU MD1 3.900 . 3.900 2.683 1.800 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 15 LEU H 1 15 LEU MD2 3.900 . 3.900 3.103 1.606 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 15 LEU H 1 15 LEU QD 3.370 . 3.370 2.369 1.582 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 15 LEU H 1 15 LEU HG 4.180 . 4.180 3.021 1.792 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 15 LEU H 1 16 ARG H 2.980 . 2.980 2.808 2.743 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 15 LEU H 1 17 VAL H 5.500 . 5.500 4.167 4.119 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 15 LEU H 1 18 TRP H 5.370 . 5.370 4.519 4.471 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 16 ARG HA 1 16 ARG HD3 5.370 . 5.370 3.864 3.812 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 16 ARG HA 1 16 ARG HD2 5.370 . 5.370 4.495 4.409 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 16 ARG HA 1 16 ARG QD 4.620 . 4.620 3.652 3.604 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 16 ARG HA 1 16 ARG HG3 3.880 . 3.880 3.476 3.428 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 16 ARG HA 1 16 ARG HG2 3.880 . 3.880 2.442 2.377 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 16 ARG HA 1 16 ARG QG 3.380 . 3.380 2.396 2.336 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 16 ARG HA 1 17 VAL HA 5.500 . 5.500 4.811 4.782 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 16 ARG HA 1 18 TRP HD1 5.500 . 5.500 4.278 4.113 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 16 ARG HA 1 18 TRP H 5.500 . 5.500 4.424 4.349 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 16 ARG HA 1 19 LEU HB2 5.080 . 5.080 2.929 2.757 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 16 ARG HA 1 19 LEU MD1 3.760 . 3.760 3.105 2.577 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 16 ARG HA 1 19 LEU H 5.430 . 5.430 3.678 3.591 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 16 ARG HA 1 20 VAL H 5.500 . 5.500 4.274 4.058 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 16 ARG HA 1 76 ILE MG 3.630 . 3.630 3.003 2.720 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 16 ARG HB3 1 76 ILE MG 4.830 . 4.830 4.857 4.665 4.980 0.150 15 0 "[ . 1 . 2 . 3]" 1
214 1 16 ARG HB2 1 76 ILE MG 4.830 . 4.830 4.141 3.902 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 16 ARG QB 1 16 ARG QD 2.560 . 2.560 2.153 2.115 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 16 ARG QB 1 17 VAL H 4.200 . 4.200 2.335 2.214 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 16 ARG QB 1 76 ILE MG 4.010 . 4.010 3.922 3.715 4.100 0.090 14 0 "[ . 1 . 2 . 3]" 1
218 1 16 ARG HD3 1 17 VAL MG1 3.530 . 3.530 2.573 2.305 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 16 ARG HD3 1 17 VAL MG2 4.530 . 4.530 4.260 4.093 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 16 ARG HD3 1 17 VAL H 5.500 . 5.500 2.909 2.730 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 16 ARG HD3 1 76 ILE MG 5.050 . 5.050 4.289 4.004 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 ARG HD2 1 17 VAL MG1 3.530 . 3.530 2.642 2.512 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 16 ARG HD2 1 17 VAL MG2 4.530 . 4.530 4.734 4.588 4.792 0.262 6 0 "[ . 1 . 2 . 3]" 1
224 1 16 ARG HD2 1 17 VAL H 5.500 . 5.500 3.413 3.267 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 16 ARG HD2 1 76 ILE MG 5.050 . 5.050 5.085 4.885 5.190 0.140 21 0 "[ . 1 . 2 . 3]" 1
226 1 16 ARG QD 1 17 VAL QG 2.570 . 2.570 2.298 2.155 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 16 ARG QD 1 36 THR MG 5.340 . 5.340 4.790 4.135 5.106 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 ARG QD 1 76 ILE MG 4.210 . 4.210 4.073 3.831 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 16 ARG HG3 1 36 THR HB 5.500 . 5.500 5.538 5.361 5.669 0.169 8 0 "[ . 1 . 2 . 3]" 1
230 1 16 ARG HG2 1 36 THR HB 5.500 . 5.500 5.056 4.766 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 16 ARG QG 1 17 VAL HA 5.340 . 5.340 4.120 3.996 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 16 ARG QG 1 36 THR MG 5.060 . 5.060 4.626 3.957 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 16 ARG QG 1 76 ILE MG . . 3.630 2.534 2.397 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 16 ARG H 1 16 ARG HB3 3.510 . 3.510 2.648 2.593 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 16 ARG H 1 16 ARG HB2 3.510 . 3.510 2.519 2.485 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 16 ARG H 1 16 ARG QB 2.960 . 2.960 2.296 2.279 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 16 ARG H 1 16 ARG HD3 5.500 . 5.500 4.925 4.818 5.053 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 16 ARG H 1 16 ARG HD2 5.500 . 5.500 4.912 4.841 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 16 ARG H 1 16 ARG QG 4.340 . 4.340 4.042 4.011 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 16 ARG H 1 17 VAL QG 4.560 . 4.560 3.786 3.738 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 16 ARG H 1 17 VAL H 3.580 . 3.580 3.156 3.133 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 16 ARG H 1 18 TRP H 5.130 . 5.130 4.227 4.171 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 16 ARG H 1 19 LEU HB2 5.310 . 5.310 5.025 4.796 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 16 ARG H 1 19 LEU MD1 5.260 . 5.260 4.373 3.802 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 16 ARG H 1 19 LEU H 5.500 . 5.500 4.828 4.750 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 16 ARG H 1 76 ILE MG 5.100 . 5.100 5.154 4.831 5.384 0.284 17 0 "[ . 1 . 2 . 3]" 1
247 1 17 VAL HA 1 17 VAL MG1 3.570 . 3.570 2.457 2.422 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 17 VAL HA 1 17 VAL MG2 3.570 . 3.570 3.159 3.146 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 VAL HA 1 17 VAL QG 2.860 . 2.860 2.377 2.349 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 VAL HA 1 18 TRP HA 4.990 . 4.990 4.832 4.784 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 17 VAL HA 1 20 VAL QG 3.180 . 3.180 2.059 2.003 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 17 VAL HA 1 20 VAL H 4.350 . 4.350 3.836 3.743 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 17 VAL HA 1 21 ASP H 4.750 . 4.750 3.563 3.403 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 17 VAL HB 1 18 TRP H 3.990 . 3.990 3.775 3.361 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 17 VAL MG1 1 18 TRP H 4.110 . 4.110 3.855 3.757 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 17 VAL MG2 1 18 TRP H 4.110 . 4.110 1.915 1.633 1.994 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 17 VAL QG 1 18 TRP HA 4.620 . 4.620 3.144 3.058 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 17 VAL QG 1 18 TRP HB3 5.440 . 5.440 3.120 2.800 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 17 VAL QG 1 18 TRP HB2 5.440 . 5.440 3.898 3.762 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 17 VAL QG 1 18 TRP H 3.570 . 3.570 1.910 1.631 1.988 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 17 VAL QG 1 21 ASP HA 5.950 . 5.950 5.814 5.710 5.917 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 17 VAL QG 1 21 ASP QB 3.730 . 3.730 3.738 3.607 3.920 0.190 20 0 "[ . 1 . 2 . 3]" 1
263 1 17 VAL QG 1 21 ASP H 4.220 . 4.220 4.465 4.390 4.536 0.316 15 0 "[ . 1 . 2 . 3]" 1
264 1 17 VAL H 1 17 VAL HB 3.550 . 3.550 3.583 3.574 3.598 0.048 1 0 "[ . 1 . 2 . 3]" 1
265 1 17 VAL H 1 17 VAL MG1 3.940 . 3.940 1.990 1.919 2.073 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 17 VAL H 1 17 VAL MG2 3.940 . 3.940 1.970 1.866 2.112 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 17 VAL H 1 17 VAL QG 3.260 . 3.260 1.762 1.737 1.806 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 17 VAL H 1 18 TRP HD1 5.500 . 5.500 5.156 5.051 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 17 VAL H 1 18 TRP H 2.840 . 2.840 2.699 2.659 2.963 0.123 24 0 "[ . 1 . 2 . 3]" 1
270 1 18 TRP HA 1 18 TRP HE3 3.790 . 3.790 3.436 3.280 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 18 TRP HA 1 21 ASP QB 3.920 . 3.920 2.573 2.430 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 18 TRP HA 1 21 ASP H 4.660 . 4.660 3.889 3.817 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 18 TRP HB3 1 19 LEU H 3.700 . 3.700 3.191 3.126 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 18 TRP HB2 1 18 TRP HE3 3.740 . 3.740 2.787 2.709 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 18 TRP HB2 1 19 LEU H 4.780 . 4.780 3.971 3.940 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 18 TRP HD1 1 19 LEU HB2 4.690 . 4.690 3.706 3.423 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 18 TRP HD1 1 19 LEU MD1 4.580 . 4.580 2.914 2.609 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 18 TRP HD1 1 19 LEU HG 4.080 . 4.080 3.643 3.382 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 18 TRP HD1 1 19 LEU H 4.680 . 4.680 2.653 2.441 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 18 TRP HE1 1 19 LEU HB2 4.630 . 4.630 4.012 3.803 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 18 TRP HE1 1 19 LEU MD1 5.500 . 5.500 2.346 2.098 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 18 TRP HE1 1 19 LEU HG 5.500 . 5.500 2.184 2.109 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 18 TRP HE1 1 61 LEU QD 5.440 . 5.440 3.632 2.709 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 18 TRP HE3 1 57 LEU HA 5.500 . 5.500 5.851 5.673 6.048 0.548 21 1 "[ . 1 . 2+ . 3]" 1
285 1 18 TRP HE3 1 60 HIS HB3 5.500 . 5.500 5.110 4.849 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 18 TRP HE3 1 60 HIS HB2 5.500 . 5.500 5.448 5.255 5.646 0.146 16 0 "[ . 1 . 2 . 3]" 1
287 1 18 TRP HE3 1 60 HIS QB 4.620 . 4.620 4.680 4.476 4.858 0.238 12 0 "[ . 1 . 2 . 3]" 1
288 1 18 TRP HE3 1 61 LEU QD 5.420 . 5.420 3.657 3.265 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 18 TRP HH2 1 19 LEU HA 5.020 . 5.020 4.603 4.401 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 18 TRP HH2 1 19 LEU MD1 5.500 . 5.500 5.796 5.681 5.965 0.465 24 0 "[ . 1 . 2 . 3]" 1
291 1 18 TRP HH2 1 19 LEU HG 5.500 . 5.500 4.759 4.640 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 18 TRP HH2 1 22 CYS QB 5.000 . 5.000 3.773 3.350 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 18 TRP HH2 1 57 LEU HA 4.270 . 4.270 2.397 2.170 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 18 TRP HH2 1 57 LEU MD1 3.800 . 3.800 3.796 3.511 3.924 0.124 24 0 "[ . 1 . 2 . 3]" 1
295 1 18 TRP HH2 1 57 LEU MD2 3.800 . 3.800 2.658 2.044 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 18 TRP HH2 1 57 LEU QD 3.070 . 3.070 2.573 2.037 3.171 0.101 6 0 "[ . 1 . 2 . 3]" 1
297 1 18 TRP HH2 1 57 LEU HG 4.230 . 4.230 3.129 2.220 4.475 0.245 28 0 "[ . 1 . 2 . 3]" 1
298 1 18 TRP HH2 1 61 LEU QD 4.600 . 4.600 2.731 2.477 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 18 TRP HH2 1 79 LEU MD1 5.500 . 5.500 5.819 5.724 5.943 0.443 29 0 "[ . 1 . 2 . 3]" 1
300 1 18 TRP H 1 18 TRP HB3 3.050 . 3.050 2.090 2.071 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 18 TRP H 1 18 TRP HB2 3.870 . 3.870 3.372 3.348 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 18 TRP H 1 18 TRP HD1 5.500 . 5.500 3.540 3.408 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 18 TRP H 1 19 LEU MD1 5.160 . 5.160 5.109 4.972 5.212 0.052 24 0 "[ . 1 . 2 . 3]" 1
304 1 18 TRP H 1 19 LEU H 4.050 . 4.050 2.807 2.753 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 18 TRP H 1 20 VAL H 5.500 . 5.500 4.651 4.564 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 18 TRP H 1 21 ASP H 4.870 . 4.870 4.719 4.673 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 18 TRP HZ2 1 19 LEU HA 4.590 . 4.590 3.937 3.872 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 18 TRP HZ2 1 19 LEU MD1 5.260 . 5.260 3.937 3.773 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 18 TRP HZ2 1 19 LEU MD2 4.140 . 4.140 3.412 2.988 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 18 TRP HZ2 1 19 LEU HG 3.620 . 3.620 2.989 2.916 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 18 TRP HZ2 1 57 LEU HA 5.500 . 5.500 4.602 4.218 5.512 0.012 30 0 "[ . 1 . 2 . 3]" 1
312 1 18 TRP HZ2 1 57 LEU HB3 4.000 . 4.000 3.171 2.758 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 18 TRP HZ2 1 57 LEU QD 5.440 . 5.440 3.476 2.946 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 18 TRP HZ2 1 61 LEU MD1 4.480 . 4.480 4.199 2.280 4.734 0.254 23 0 "[ . 1 . 2 . 3]" 1
315 1 18 TRP HZ2 1 61 LEU MD2 4.480 . 4.480 2.829 2.051 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 18 TRP HZ2 1 61 LEU QD 3.640 . 3.640 2.598 2.028 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 18 TRP HZ2 1 79 LEU MD1 4.180 . 4.180 3.937 3.847 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 18 TRP HZ3 1 22 CYS HB3 4.190 . 4.190 3.730 2.973 4.220 0.030 6 0 "[ . 1 . 2 . 3]" 1
319 1 18 TRP HZ3 1 22 CYS HB2 4.190 . 4.190 2.637 2.301 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 18 TRP HZ3 1 22 CYS QB 3.650 . 3.650 2.585 2.261 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 18 TRP HZ3 1 57 LEU HA 4.030 . 4.030 3.490 3.258 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 18 TRP HZ3 1 57 LEU HB3 5.450 . 5.450 4.608 4.295 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 18 TRP HZ3 1 57 LEU QD 3.910 . 3.910 3.502 2.745 3.986 0.076 15 0 "[ . 1 . 2 . 3]" 1
324 1 18 TRP HZ3 1 60 HIS QB 5.340 . 5.340 3.496 3.217 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 18 TRP HZ3 1 61 LEU QD 4.320 . 4.320 3.346 2.829 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 19 LEU HA 1 19 LEU MD1 4.640 . 4.640 3.607 3.540 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 19 LEU HA 1 19 LEU MD2 3.370 . 3.370 2.687 2.302 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 19 LEU HA 1 22 CYS HB3 4.080 . 4.080 2.876 2.500 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 19 LEU HA 1 22 CYS HB2 4.080 . 4.080 3.437 2.980 4.117 0.037 8 0 "[ . 1 . 2 . 3]" 1
330 1 19 LEU HA 1 22 CYS QB 3.490 . 3.490 2.705 2.475 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 19 LEU HA 1 23 VAL H 5.020 . 5.020 4.365 4.043 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 19 LEU HA 1 79 LEU HG 5.500 . 5.500 5.858 5.604 5.937 0.437 5 0 "[ . 1 . 2 . 3]" 1
333 1 19 LEU HB3 1 19 LEU MD2 3.430 . 3.430 2.188 2.162 2.224 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 19 LEU HB3 1 20 VAL H 3.600 . 3.600 2.624 2.495 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 19 LEU HB3 1 22 CYS H 5.500 . 5.500 5.240 5.102 5.332 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 19 LEU HB3 1 76 ILE MD 3.740 . 3.740 2.396 2.220 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 19 LEU HB3 1 76 ILE MG 3.650 . 3.650 2.288 2.111 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 19 LEU HB2 1 19 LEU MD2 3.300 . 3.300 3.123 3.097 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 19 LEU HB2 1 20 VAL H 4.280 . 4.280 2.654 2.438 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 19 LEU MD1 1 20 VAL H 4.440 . 4.440 4.370 4.214 4.463 0.023 1 0 "[ . 1 . 2 . 3]" 1
341 1 19 LEU MD1 1 76 ILE HA 4.790 . 4.790 3.099 2.787 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 19 LEU MD1 1 79 LEU HB3 2.940 . 2.940 2.073 2.023 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 19 LEU MD1 1 79 LEU HG 2.900 . 2.900 3.106 2.957 3.347 0.447 24 0 "[ . 1 . 2 . 3]" 1
344 1 19 LEU MD1 1 80 SER H 4.030 . 4.030 2.800 2.639 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 19 LEU MD2 1 76 ILE HA 3.580 . 3.580 2.543 2.263 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 19 LEU MD2 1 79 LEU HG 3.530 . 3.530 2.147 2.017 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 19 LEU H 1 19 LEU HB3 3.560 . 3.560 3.416 3.381 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 19 LEU H 1 19 LEU MD1 5.170 . 5.170 3.201 3.099 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 19 LEU H 1 19 LEU MD2 5.500 . 5.500 4.290 4.102 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 19 LEU H 1 19 LEU HG 3.920 . 3.920 3.285 2.946 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 19 LEU H 1 20 VAL QG 4.180 . 4.180 3.730 3.657 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 19 LEU H 1 20 VAL H 3.950 . 3.950 3.007 2.951 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 19 LEU H 1 76 ILE MD 5.500 . 5.500 4.931 4.551 6.051 0.551 23 1 "[ . 1 . 2 + . 3]" 1
354 1 19 LEU H 1 76 ILE MG 5.080 . 5.080 4.286 4.120 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 20 VAL HA 1 20 VAL MG1 3.630 . 3.630 3.190 3.178 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 20 VAL HA 1 20 VAL MG2 3.630 . 3.630 2.350 2.308 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 20 VAL HA 1 20 VAL QG 3.090 . 3.090 2.293 2.258 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 20 VAL HA 1 24 ALA MB 5.500 . 5.500 4.824 4.607 5.062 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 20 VAL HA 1 24 ALA H 4.720 . 4.720 4.160 3.999 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 20 VAL HA 1 31 ALA MB 5.370 . 5.370 4.934 4.575 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 20 VAL HA 1 34 ILE MG 4.340 . 4.340 2.988 2.748 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 20 VAL HA 1 36 THR HA 5.500 . 5.500 4.942 4.681 5.610 0.110 13 0 "[ . 1 . 2 . 3]" 1
363 1 20 VAL HA 1 36 THR MG 5.500 . 5.500 3.888 3.392 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 20 VAL HA 1 76 ILE QG 4.650 . 4.650 3.689 3.236 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 20 VAL HB 1 21 ASP H 3.960 . 3.960 3.811 3.735 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 20 VAL HB 1 34 ILE MG 5.420 . 5.420 4.153 3.698 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 20 VAL HB 1 36 THR HA 5.200 . 5.200 4.129 3.738 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 20 VAL HB 1 76 ILE MD 4.110 . 4.110 2.626 2.018 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 20 VAL HB 1 76 ILE MG 4.100 . 4.100 3.127 2.394 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 20 VAL MG1 1 21 ASP H 4.460 . 4.460 1.775 1.693 1.827 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 20 VAL MG2 1 21 ASP H 4.460 . 4.460 3.225 3.146 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 20 VAL QG 1 21 ASP HA 3.990 . 3.990 2.919 2.894 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 20 VAL QG 1 21 ASP QB 2.750 . 2.750 2.843 2.749 3.265 0.515 11 2 "[ . 1+ . 2 . - 3]" 1
374 1 20 VAL QG 1 21 ASP H 3.830 . 3.830 1.766 1.688 1.817 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 20 VAL QG 1 22 CYS H 4.960 . 4.960 3.761 3.665 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 20 VAL QG 1 24 ALA MB 3.770 . 3.770 3.207 3.019 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 20 VAL QG 1 24 ALA H 4.210 . 4.210 3.733 3.541 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 20 VAL QG 1 31 ALA HA 3.400 . 3.400 2.755 2.106 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 20 VAL QG 1 31 ALA MB 2.470 . 2.470 2.132 1.897 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 20 VAL QG 1 31 ALA H 4.850 . 4.850 4.645 3.936 4.876 0.026 20 0 "[ . 1 . 2 . 3]" 1
381 1 20 VAL QG 1 32 ALA HA 4.750 . 4.750 4.214 3.785 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 20 VAL QG 1 32 ALA H 4.920 . 4.920 4.612 4.326 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 20 VAL QG 1 34 ILE HB 3.050 . 3.050 2.309 2.168 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 20 VAL QG 1 34 ILE MG 3.320 . 3.320 2.592 2.210 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 20 VAL QG 1 34 ILE H 4.510 . 4.510 3.691 3.284 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 20 VAL QG 1 35 ALA H 5.440 . 5.440 3.631 3.051 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 20 VAL QG 1 36 THR H 5.440 . 5.440 3.694 3.242 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 20 VAL H 1 20 VAL HB 3.660 . 3.660 2.536 2.416 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 20 VAL H 1 20 VAL MG1 4.360 . 4.360 1.868 1.756 2.083 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 20 VAL H 1 20 VAL MG2 4.360 . 4.360 3.717 3.693 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 20 VAL H 1 20 VAL QG 3.150 . 3.150 1.863 1.753 2.073 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 20 VAL H 1 21 ASP HA 5.500 . 5.500 5.365 5.327 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 20 VAL H 1 21 ASP QB 5.340 . 5.340 4.522 4.458 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 20 VAL H 1 21 ASP H 3.830 . 3.830 2.798 2.750 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 20 VAL H 1 22 CYS QB 5.340 . 5.340 4.787 4.657 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 20 VAL H 1 22 CYS H 4.550 . 4.550 4.036 3.923 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 20 VAL H 1 23 VAL H 5.500 . 5.500 4.934 4.777 5.022 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 20 VAL H 1 76 ILE MD 4.640 . 4.640 2.925 2.303 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 20 VAL H 1 76 ILE MG 3.880 . 3.880 3.167 2.752 3.958 0.078 23 0 "[ . 1 . 2 . 3]" 1
400 1 21 ASP HA 1 24 ALA HA 5.360 . 5.360 5.328 5.236 5.496 0.136 13 0 "[ . 1 . 2 . 3]" 1
401 1 21 ASP HA 1 24 ALA MB 3.320 . 3.320 2.608 2.478 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 21 ASP HA 1 24 ALA H 4.620 . 4.620 3.531 3.389 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 21 ASP HA 1 31 ALA HA 5.500 . 5.500 4.480 4.133 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 21 ASP HA 1 31 ALA MB 3.980 . 3.980 2.825 2.290 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 21 ASP HA 1 34 ILE MG 5.500 . 5.500 5.677 5.498 5.801 0.301 16 0 "[ . 1 . 2 . 3]" 1
406 1 21 ASP HB3 1 22 CYS H 4.170 . 4.170 2.837 2.663 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 21 ASP HB3 1 24 ALA MB 5.500 . 5.500 4.934 4.181 5.135 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 21 ASP HB3 1 31 ALA MB 5.500 . 5.500 5.102 4.719 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 21 ASP HB2 1 22 CYS H 4.170 . 4.170 3.830 2.769 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 21 ASP HB2 1 24 ALA MB 5.500 . 5.500 4.684 4.532 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 21 ASP HB2 1 31 ALA MB 5.500 . 5.500 4.155 3.759 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 21 ASP QB 1 22 CYS H 3.350 . 3.350 2.700 2.617 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 21 ASP H 1 21 ASP HB3 3.930 . 3.930 2.665 2.490 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 21 ASP H 1 21 ASP HB2 3.930 . 3.930 2.468 2.338 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 21 ASP H 1 21 ASP QB 3.330 . 3.330 2.251 2.213 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 21 ASP H 1 22 CYS H 3.740 . 3.740 2.703 2.664 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 21 ASP H 1 24 ALA MB 5.500 . 5.500 4.674 4.575 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 22 CYS HB3 1 23 VAL H 4.250 . 4.250 2.536 2.322 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 22 CYS HB2 1 23 VAL H 4.250 . 4.250 3.790 3.555 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 22 CYS QB 1 23 VAL H 3.580 . 3.580 2.494 2.297 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 22 CYS H 1 22 CYS HB3 3.230 . 3.230 2.523 2.081 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 22 CYS H 1 22 CYS HB2 3.230 . 3.230 2.633 2.308 3.465 0.235 8 0 "[ . 1 . 2 . 3]" 1
423 1 22 CYS H 1 23 VAL HB 5.500 . 5.500 4.960 4.787 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 22 CYS H 1 23 VAL MG2 5.310 . 5.310 4.014 3.740 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 22 CYS H 1 23 VAL H 3.650 . 3.650 2.728 2.576 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 22 CYS H 1 24 ALA MB 5.010 . 5.010 4.735 4.645 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 23 VAL HA 1 23 VAL MG1 3.300 . 3.300 2.396 2.237 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 23 VAL HA 1 23 VAL MG2 3.510 . 3.510 2.403 2.342 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 23 VAL HA 1 24 ALA MB 5.390 . 5.390 5.035 5.020 5.058 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 23 VAL HA 1 26 HIS QB 4.310 . 4.310 2.314 2.196 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 23 VAL HA 1 26 HIS HD2 3.460 . 3.460 2.889 2.308 3.763 0.303 28 0 "[ . 1 . 2 . 3]" 1
432 1 23 VAL HA 1 26 HIS H 4.770 . 4.770 3.363 3.273 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 23 VAL HA 1 27 LEU HB2 5.500 . 5.500 5.183 3.146 5.630 0.130 20 0 "[ . 1 . 2 . 3]" 1
434 1 23 VAL HA 1 27 LEU HG 5.500 . 5.500 4.144 3.638 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 23 VAL HA 1 27 LEU H 5.500 . 5.500 3.828 3.021 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 23 VAL HA 1 34 ILE MD 4.950 . 4.950 3.971 3.824 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 23 VAL HB 1 24 ALA HA 4.450 . 4.450 4.098 4.002 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 23 VAL HB 1 24 ALA H 3.880 . 3.880 2.376 2.258 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 23 VAL HB 1 27 LEU MD1 5.500 . 5.500 4.526 4.256 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 23 VAL HB 1 34 ILE MD 4.550 . 4.550 2.429 2.215 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 23 VAL HB 1 34 ILE MG 4.770 . 4.770 2.187 2.125 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 23 VAL MG1 1 24 ALA HA 3.910 . 3.910 3.661 3.405 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 23 VAL MG1 1 24 ALA H 4.300 . 4.300 3.470 3.304 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 23 VAL MG1 1 26 HIS HD2 4.540 . 4.540 3.967 3.270 4.546 0.006 14 0 "[ . 1 . 2 . 3]" 1
445 1 23 VAL MG1 1 27 LEU HB2 3.890 . 3.890 3.410 2.165 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 23 VAL MG1 1 27 LEU H 4.520 . 4.520 3.486 3.359 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 23 VAL MG1 1 34 ILE HB 4.800 . 4.800 4.547 4.326 4.954 0.154 12 0 "[ . 1 . 2 . 3]" 1
448 1 23 VAL MG1 1 34 ILE MD 3.310 . 3.310 1.970 1.875 2.066 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 23 VAL MG1 1 34 ILE MG 2.730 . 2.730 2.157 2.033 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 23 VAL MG1 1 43 TYR HB2 5.500 . 5.500 5.175 4.923 5.523 0.023 28 0 "[ . 1 . 2 . 3]" 1
451 1 23 VAL MG1 1 43 TYR QD 5.140 . 5.140 3.533 3.331 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 23 VAL MG1 1 43 TYR QE 3.210 . 3.210 2.536 2.355 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 23 VAL MG2 1 35 ALA MB 4.750 . 4.750 4.425 4.269 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 23 VAL MG2 1 24 ALA H 4.410 . 4.410 3.677 3.550 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 23 VAL MG2 1 26 HIS HD2 4.400 . 4.400 3.783 3.191 4.506 0.106 13 0 "[ . 1 . 2 . 3]" 1
456 1 23 VAL MG2 1 34 ILE MG 3.570 . 3.570 2.816 2.335 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 23 VAL MG2 1 43 TYR QD 4.960 . 4.960 4.765 4.500 5.083 0.123 28 0 "[ . 1 . 2 . 3]" 1
458 1 23 VAL MG2 1 43 TYR QE 3.300 . 3.300 3.183 2.970 3.499 0.199 28 0 "[ . 1 . 2 . 3]" 1
459 1 23 VAL H 1 23 VAL HB 3.430 . 3.430 2.577 2.442 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 23 VAL H 1 23 VAL MG1 3.980 . 3.980 3.764 3.723 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 23 VAL H 1 23 VAL MG2 3.570 . 3.570 1.945 1.806 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 23 VAL H 1 24 ALA MB 5.450 . 5.450 4.342 4.256 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 23 VAL H 1 76 ILE MD 5.500 . 5.500 4.786 4.604 5.568 0.068 23 0 "[ . 1 . 2 . 3]" 1
464 1 24 ALA HA 1 27 LEU HB2 4.240 . 4.240 3.661 3.372 4.283 0.043 12 0 "[ . 1 . 2 . 3]" 1
465 1 24 ALA HA 1 27 LEU H 5.500 . 5.500 3.862 3.383 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 24 ALA HA 1 29 LEU HB3 5.500 . 5.500 4.987 3.637 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 24 ALA HA 1 29 LEU HB2 4.550 . 4.550 3.411 2.404 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 24 ALA HA 1 29 LEU H 3.730 . 3.730 3.395 2.207 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 24 ALA HA 1 30 ASP HA 5.500 . 5.500 5.158 4.504 5.518 0.018 20 0 "[ . 1 . 2 . 3]" 1
470 1 24 ALA HA 1 30 ASP H 5.500 . 5.500 5.276 4.702 5.529 0.029 20 0 "[ . 1 . 2 . 3]" 1
471 1 24 ALA HA 1 31 ALA H 4.890 . 4.890 4.923 4.657 5.042 0.152 14 0 "[ . 1 . 2 . 3]" 1
472 1 24 ALA HA 1 34 ILE MD 3.690 . 3.690 2.110 2.050 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 24 ALA HA 1 34 ILE HG13 4.540 . 4.540 3.137 2.387 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 24 ALA MB 1 25 GLY HA3 4.920 . 4.920 4.015 3.953 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 24 ALA MB 1 25 GLY HA2 4.920 . 4.920 3.740 3.672 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 24 ALA MB 1 25 GLY QA 4.160 . 4.160 3.439 3.411 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 24 ALA MB 1 25 GLY H 3.710 . 3.710 2.270 2.171 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 24 ALA MB 1 30 ASP HA 4.510 . 4.510 3.578 2.815 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 24 ALA MB 1 30 ASP H 5.500 . 5.500 4.795 4.122 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 24 ALA MB 1 31 ALA HA 3.180 . 3.180 2.327 2.210 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 24 ALA MB 1 31 ALA H 4.410 . 4.410 2.856 2.462 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 24 ALA MB 1 34 ILE MD 3.630 . 3.630 2.967 2.750 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 24 ALA MB 1 34 ILE H 5.500 . 5.500 5.191 4.754 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 24 ALA H 1 24 ALA MB 3.340 . 3.340 2.181 2.124 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 24 ALA H 1 25 GLY HA3 5.500 . 5.500 5.191 5.106 5.269 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 24 ALA H 1 25 GLY HA2 5.500 . 5.500 5.487 5.410 5.558 0.058 28 0 "[ . 1 . 2 . 3]" 1
487 1 24 ALA H 1 25 GLY H 4.000 . 4.000 2.931 2.832 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 24 ALA H 1 31 ALA HA 4.790 . 4.790 4.199 3.884 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 24 ALA H 1 31 ALA MB 5.240 . 5.240 4.172 3.688 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 24 ALA H 1 34 ILE MD 4.970 . 4.970 2.740 2.375 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 24 ALA H 1 34 ILE HG13 5.500 . 5.500 2.750 2.605 3.078 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 25 GLY QA 1 26 HIS HA 4.440 . 4.440 4.056 4.025 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 25 GLY H 1 26 HIS H 2.800 . 2.800 2.728 2.705 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 26 HIS HA 1 26 HIS HE1 5.500 . 5.500 4.550 4.350 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 26 HIS HB3 1 27 LEU HB2 5.500 . 5.500 4.938 3.874 5.467 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 26 HIS HB3 1 27 LEU H 4.550 . 4.550 2.968 2.278 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 26 HIS HB2 1 27 LEU HB2 5.500 . 5.500 5.030 4.402 5.901 0.401 25 0 "[ . 1 . 2 . 3]" 1
498 1 26 HIS HB2 1 27 LEU H 4.550 . 4.550 2.908 2.343 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 26 HIS QB 1 27 LEU MD1 5.340 . 5.340 4.037 3.643 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 26 HIS QB 1 27 LEU MD2 5.130 . 5.130 3.585 2.906 5.284 0.154 12 0 "[ . 1 . 2 . 3]" 1
501 1 26 HIS QB 1 27 LEU HG 5.330 . 5.330 3.007 2.692 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 26 HIS QB 1 27 LEU H 3.970 . 3.970 2.380 2.259 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 26 HIS QB 1 53 ILE MD 5.340 . 5.340 3.581 2.828 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 26 HIS HD2 1 53 ILE MD 4.880 . 4.880 3.959 2.451 4.929 0.049 20 0 "[ . 1 . 2 . 3]" 1
505 1 26 HIS HD2 1 53 ILE MG 5.220 . 5.220 3.518 2.823 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 26 HIS HE1 1 53 ILE MD 5.500 . 5.500 4.123 2.354 5.592 0.092 20 0 "[ . 1 . 2 . 3]" 1
507 1 26 HIS H 1 26 HIS HB3 3.820 . 3.820 3.182 2.314 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 26 HIS H 1 26 HIS HB2 3.820 . 3.820 2.465 2.247 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 26 HIS H 1 26 HIS QB 3.270 . 3.270 2.303 2.189 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 26 HIS H 1 27 LEU HA 5.500 . 5.500 5.451 5.224 5.480 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 26 HIS H 1 27 LEU HB2 5.500 . 5.500 5.139 4.487 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 26 HIS H 1 27 LEU HG 5.500 . 5.500 4.837 4.519 5.960 0.460 12 0 "[ . 1 . 2 . 3]" 1
513 1 26 HIS H 1 27 LEU H 3.140 . 3.140 2.913 2.525 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 27 LEU HA 1 27 LEU MD2 3.500 . 3.500 2.147 2.101 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 27 LEU HA 1 27 LEU HG 3.040 . 3.040 2.920 2.334 3.127 0.087 30 0 "[ . 1 . 2 . 3]" 1
516 1 27 LEU HB2 1 27 LEU MD1 3.650 . 3.650 2.327 2.208 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 27 LEU HB2 1 27 LEU MD2 3.450 . 3.450 3.202 3.156 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 27 LEU HB2 1 28 GLY H 4.280 . 4.280 2.787 2.660 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 27 LEU MD1 1 40 LEU HA 5.500 . 5.500 5.378 4.981 5.622 0.122 1 0 "[ . 1 . 2 . 3]" 1
520 1 27 LEU MD1 1 43 TYR HA 4.770 . 4.770 3.462 3.104 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 27 LEU MD1 1 43 TYR HB3 4.470 . 4.470 2.361 2.215 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 27 LEU MD1 1 43 TYR HB2 4.820 . 4.820 3.549 3.275 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 27 LEU MD1 1 43 TYR QD 4.570 . 4.570 2.648 2.205 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 27 LEU MD1 1 43 TYR QE 4.830 . 4.830 3.223 2.534 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 27 LEU MD1 1 45 LEU H 5.500 . 5.500 5.649 5.353 5.736 0.236 28 0 "[ . 1 . 2 . 3]" 1
526 1 27 LEU MD2 1 34 ILE MD 4.620 . 4.620 4.761 4.632 5.034 0.414 12 0 "[ . 1 . 2 . 3]" 1
527 1 27 LEU MD2 1 43 TYR HB3 5.480 . 5.480 2.783 2.524 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 27 LEU MD2 1 43 TYR HB2 5.500 . 5.500 4.020 3.671 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 27 LEU MD2 1 43 TYR QE 5.500 . 5.500 5.033 4.502 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 27 LEU MD2 1 45 LEU H 5.500 . 5.500 5.602 5.533 5.742 0.242 23 0 "[ . 1 . 2 . 3]" 1
531 1 27 LEU H 1 27 LEU HB2 3.090 . 3.090 2.411 2.140 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 27 LEU H 1 27 LEU MD1 5.320 . 5.320 3.564 3.320 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 27 LEU H 1 27 LEU MD2 4.930 . 4.930 3.507 3.153 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 27 LEU H 1 27 LEU HG 4.520 . 4.520 2.391 2.072 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 27 LEU H 1 28 GLY H 2.950 . 2.950 2.366 2.280 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 28 GLY HA3 1 29 LEU MD2 5.500 . 5.500 4.179 3.936 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 28 GLY HA3 1 29 LEU HG 5.230 . 5.230 4.488 3.992 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 28 GLY HA2 1 29 LEU MD2 5.500 . 5.500 5.044 4.839 5.711 0.211 13 0 "[ . 1 . 2 . 3]" 1
539 1 28 GLY HA2 1 29 LEU HG 5.230 . 5.230 5.080 4.430 5.471 0.241 13 0 "[ . 1 . 2 . 3]" 1
540 1 28 GLY QA 1 29 LEU HG 4.510 . 4.510 4.206 3.717 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 28 GLY H 1 29 LEU H 3.400 . 3.400 2.383 2.299 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 29 LEU HA 1 29 LEU MD2 3.340 . 3.340 2.124 2.097 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 29 LEU HA 1 30 ASP H 3.120 . 3.120 2.603 2.301 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 29 LEU HB3 1 29 LEU MD2 3.670 . 3.670 2.301 2.269 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 29 LEU HB3 1 30 ASP H 3.300 . 3.300 2.113 2.015 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 29 LEU HB3 1 34 ILE HA 5.500 . 5.500 4.429 3.051 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 29 LEU HB3 1 34 ILE MD 5.200 . 5.200 3.571 2.205 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 29 LEU HB2 1 30 ASP H 3.690 . 3.690 3.084 2.959 3.901 0.211 12 0 "[ . 1 . 2 . 3]" 1
549 1 29 LEU HB2 1 34 ILE HA 4.950 . 4.950 3.862 3.608 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 29 LEU HB2 1 34 ILE MD 3.380 . 3.380 2.224 1.960 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 29 LEU MD1 1 34 ILE MD 3.690 . 3.690 2.967 2.405 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 29 LEU MD2 1 30 ASP H 4.260 . 4.260 3.489 2.769 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 29 LEU HG 1 34 ILE MD 3.760 . 3.760 3.858 3.766 4.051 0.291 13 0 "[ . 1 . 2 . 3]" 1
554 1 29 LEU H 1 29 LEU HB2 3.530 . 3.530 2.593 2.225 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 29 LEU H 1 29 LEU MD1 4.860 . 4.860 3.547 3.473 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 29 LEU H 1 29 LEU MD2 3.860 . 3.860 3.047 2.827 4.070 0.210 12 0 "[ . 1 . 2 . 3]" 1
557 1 29 LEU H 1 29 LEU HG 2.910 . 2.910 2.003 1.847 3.369 0.459 12 0 "[ . 1 . 2 . 3]" 1
558 1 29 LEU H 1 30 ASP H 4.910 . 4.910 4.513 4.351 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 29 LEU H 1 34 ILE MD 5.410 . 5.410 3.651 3.513 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 30 ASP HA 1 31 ALA MB 4.830 . 4.830 4.002 3.962 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 30 ASP HA 1 31 ALA H 3.050 . 3.050 2.158 2.132 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 30 ASP HA 1 32 ALA H 4.240 . 4.240 3.919 3.572 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 30 ASP HB3 1 32 ALA MB 5.500 . 5.500 3.423 2.640 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 30 ASP HB3 1 32 ALA H 4.460 . 4.460 3.312 2.669 4.471 0.011 12 0 "[ . 1 . 2 . 3]" 1
565 1 30 ASP HB3 1 33 THR H 5.500 . 5.500 3.213 2.730 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 30 ASP HB2 1 32 ALA MB 5.500 . 5.500 4.240 2.968 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 30 ASP HB2 1 32 ALA H 4.460 . 4.460 4.276 2.688 4.687 0.227 12 0 "[ . 1 . 2 . 3]" 1
568 1 30 ASP HB2 1 33 THR H 5.500 . 5.500 3.828 2.914 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 30 ASP QB 1 31 ALA H 4.300 . 4.300 3.391 3.045 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 30 ASP QB 1 33 THR HG1 4.690 . 4.690 2.359 1.852 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 30 ASP QB 1 33 THR MG 4.550 . 4.550 3.713 2.124 4.586 0.036 5 0 "[ . 1 . 2 . 3]" 1
572 1 30 ASP H 1 30 ASP QB 2.960 . 2.960 2.319 2.216 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 30 ASP H 1 31 ALA H 5.500 . 5.500 4.527 4.416 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 30 ASP H 1 33 THR H 5.390 . 5.390 4.558 4.184 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 31 ALA HA 1 32 ALA HA 5.010 . 5.010 4.792 4.750 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 31 ALA HA 1 33 THR H 4.020 . 4.020 3.725 3.558 4.155 0.135 28 0 "[ . 1 . 2 . 3]" 1
577 1 31 ALA HA 1 34 ILE HB 4.470 . 4.470 3.034 2.433 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 31 ALA HA 1 34 ILE MD 3.890 . 3.890 3.604 3.406 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 31 ALA HA 1 34 ILE HG13 4.990 . 4.990 2.319 2.246 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 31 ALA HA 1 34 ILE HG12 4.450 . 4.450 2.138 2.052 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 31 ALA HA 1 34 ILE H 4.390 . 4.390 3.564 3.087 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 31 ALA HA 1 36 THR MG 4.890 . 4.890 4.880 4.452 5.039 0.149 15 0 "[ . 1 . 2 . 3]" 1
583 1 31 ALA MB 1 34 ILE HB 4.270 . 4.270 4.143 3.692 4.413 0.143 8 0 "[ . 1 . 2 . 3]" 1
584 1 31 ALA MB 1 34 ILE MG 4.290 . 4.290 4.712 4.362 4.866 0.576 8 3 "[ . + 1 - . * 2 . 3]" 1
585 1 31 ALA H 1 31 ALA MB 3.170 . 3.170 2.193 2.093 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 31 ALA H 1 32 ALA MB 5.000 . 5.000 4.369 4.311 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 31 ALA H 1 32 ALA H 3.820 . 3.820 2.730 2.672 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 32 ALA HA 1 34 ILE H 5.500 . 5.500 4.155 3.791 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 32 ALA MB 1 33 THR H 3.480 . 3.480 2.988 2.563 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 32 ALA MB 1 34 ILE H 5.500 . 5.500 4.691 4.447 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 32 ALA H 1 32 ALA MB 2.960 . 2.960 2.198 2.172 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 32 ALA H 1 33 THR MG 5.140 . 5.140 4.703 4.236 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 32 ALA H 1 33 THR H 3.480 . 3.480 2.634 2.557 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 32 ALA H 1 34 ILE H 5.500 . 5.500 4.450 4.141 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 33 THR HA 1 33 THR MG 3.570 . 3.570 2.273 2.206 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 33 THR HA 1 34 ILE HA 4.810 . 4.810 4.626 4.587 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 33 THR HA 1 34 ILE HG12 5.500 . 5.500 5.501 5.354 5.822 0.322 5 0 "[ . 1 . 2 . 3]" 1
598 1 33 THR HB 1 34 ILE MD 5.500 . 5.500 5.915 5.755 6.101 0.601 5 2 "[ + 1 - . 2 . 3]" 1
599 1 33 THR HB 1 34 ILE H 5.230 . 5.230 4.399 4.339 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 33 THR H 1 33 THR HB 4.000 . 4.000 3.674 2.620 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 33 THR H 1 33 THR HG1 4.120 . 4.120 2.748 1.743 4.210 0.090 8 0 "[ . 1 . 2 . 3]" 1
602 1 33 THR H 1 33 THR MG 3.690 . 3.690 3.226 2.589 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 33 THR H 1 34 ILE HA 5.500 . 5.500 4.296 4.139 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 33 THR H 1 34 ILE H 3.430 . 3.430 2.548 2.271 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 34 ILE HA 1 34 ILE MD 4.170 . 4.170 2.161 2.090 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 34 ILE HA 1 34 ILE MG 3.610 . 3.610 2.735 2.560 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 34 ILE HA 1 43 TYR QE 4.140 . 4.140 3.814 3.447 4.197 0.057 3 0 "[ . 1 . 2 . 3]" 1
608 1 34 ILE HB 1 35 ALA H 5.500 . 5.500 2.391 2.168 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 34 ILE HB 1 36 THR MG 3.910 . 3.910 3.146 3.010 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 34 ILE HB 1 76 ILE MD 5.280 . 5.280 4.586 3.761 5.610 0.330 21 0 "[ . 1 . 2 . 3]" 1
611 1 34 ILE MD 1 35 ALA H 5.460 . 5.460 4.167 4.068 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 34 ILE MD 1 43 TYR QD 5.070 . 5.070 4.312 4.001 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 34 ILE MD 1 43 TYR QE 4.740 . 4.740 3.024 2.495 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 34 ILE HG12 1 35 ALA H 5.500 . 5.500 4.529 4.340 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 34 ILE MG 1 35 ALA HA 4.810 . 4.810 3.743 3.651 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 34 ILE MG 1 35 ALA MB 5.390 . 5.390 2.294 2.181 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 34 ILE MG 1 35 ALA H 4.000 . 4.000 1.899 1.761 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 34 ILE MG 1 36 THR HA 5.500 . 5.500 3.790 3.556 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 34 ILE MG 1 36 THR MG 4.530 . 4.530 3.184 2.763 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 34 ILE MG 1 42 SER QB 5.340 . 5.340 5.286 4.927 5.614 0.274 28 0 "[ . 1 . 2 . 3]" 1
621 1 34 ILE MG 1 43 TYR QE 3.340 . 3.340 2.716 2.352 3.501 0.161 28 0 "[ . 1 . 2 . 3]" 1
622 1 34 ILE MG 1 76 ILE MD 3.790 . 3.790 2.999 2.221 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 34 ILE H 1 34 ILE HB 3.430 . 3.430 2.163 2.078 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 34 ILE H 1 34 ILE MD 4.710 . 4.710 4.077 3.697 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 34 ILE H 1 34 ILE HG13 4.330 . 4.330 3.982 3.706 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 34 ILE H 1 34 ILE HG12 4.070 . 4.070 3.049 2.488 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 34 ILE H 1 34 ILE MG 4.140 . 4.140 3.582 3.499 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 34 ILE H 1 35 ALA H 5.500 . 5.500 2.938 2.875 3.066 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 35 ALA HA 1 36 THR MG 4.810 . 4.810 4.337 4.136 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 35 ALA HA 1 36 THR H 3.090 . 3.090 3.091 3.043 3.152 0.062 13 0 "[ . 1 . 2 . 3]" 1
631 1 35 ALA HA 1 38 LEU QD 4.760 . 4.760 2.829 2.634 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 35 ALA HA 1 38 LEU H 4.010 . 4.010 3.004 2.715 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 35 ALA MB 1 43 TYR HE1 4.290 . 4.290 2.488 2.132 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 35 ALA MB 1 36 THR MG 5.420 . 5.420 4.464 4.362 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 35 ALA MB 1 36 THR H 3.800 . 3.800 3.586 3.528 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 35 ALA MB 1 43 TYR QE 3.330 . 3.330 2.448 2.127 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 35 ALA H 1 35 ALA MB 3.400 . 3.400 2.942 2.859 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 35 ALA H 1 36 THR H 5.500 . 5.500 1.617 1.569 1.671 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 35 ALA H 1 38 LEU H 5.500 . 5.500 4.706 4.532 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 35 ALA H 1 43 TYR QE 5.500 . 5.500 4.804 4.514 5.615 0.115 28 0 "[ . 1 . 2 . 3]" 1
641 1 36 THR HA 1 36 THR HB 2.910 . 2.910 2.389 2.340 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 36 THR HA 1 36 THR MG 3.280 . 3.280 2.453 2.354 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 36 THR HA 1 76 ILE HB 3.640 . 3.640 2.641 2.328 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 36 THR HA 1 76 ILE MD 4.050 . 4.050 2.527 2.031 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 36 THR HA 1 76 ILE QG 3.870 . 3.870 2.545 2.046 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 36 THR HA 1 76 ILE MG 3.410 . 3.410 3.575 3.281 3.712 0.302 1 0 "[ . 1 . 2 . 3]" 1
647 1 36 THR HA 1 76 ILE H 4.650 . 4.650 3.695 3.165 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 36 THR HA 1 77 ASP H 5.230 . 5.230 4.732 4.203 5.290 0.060 23 0 "[ . 1 . 2 . 3]" 1
649 1 36 THR HB 1 76 ILE HB 4.530 . 4.530 3.464 2.826 4.610 0.080 5 0 "[ . 1 . 2 . 3]" 1
650 1 36 THR HB 1 76 ILE MG 4.590 . 4.590 3.714 3.259 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 36 THR HG1 1 37 ASP H 5.500 . 5.500 2.616 1.538 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 36 THR MG 1 37 ASP H 4.750 . 4.750 3.625 3.400 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 36 THR MG 1 76 ILE MD 4.800 . 4.800 2.936 2.078 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 36 THR H 1 36 THR MG 3.460 . 3.460 1.767 1.703 1.850 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 36 THR H 1 37 ASP H 3.520 . 3.520 3.065 2.985 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 36 THR H 1 38 LEU H 5.500 . 5.500 4.030 3.944 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 37 ASP HA 1 75 THR MG 3.970 . 3.970 4.024 3.679 4.177 0.207 14 0 "[ . 1 . 2 . 3]" 1
658 1 37 ASP HA 1 77 ASP HB3 5.500 . 5.500 5.436 4.876 5.861 0.361 29 0 "[ . 1 . 2 . 3]" 1
659 1 37 ASP HA 1 77 ASP H 5.040 . 5.040 4.654 4.242 5.047 0.007 19 0 "[ . 1 . 2 . 3]" 1
660 1 37 ASP QB 1 75 THR MG 5.340 . 5.340 5.060 4.567 5.417 0.077 10 0 "[ . 1 . 2 . 3]" 1
661 1 37 ASP H 1 37 ASP QB 3.590 . 3.590 2.500 2.288 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 37 ASP H 1 38 LEU QB 4.000 . 4.000 3.969 3.807 4.059 0.059 12 0 "[ . 1 . 2 . 3]" 1
663 1 37 ASP H 1 38 LEU QD 5.440 . 5.440 3.899 3.010 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 37 ASP H 1 38 LEU HG 5.500 . 5.500 4.760 4.190 5.626 0.126 24 0 "[ . 1 . 2 . 3]" 1
665 1 37 ASP H 1 38 LEU H 3.420 . 3.420 2.316 2.113 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 38 LEU HA 1 38 LEU MD1 4.170 . 4.170 3.548 2.925 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 38 LEU HA 1 38 LEU MD2 4.170 . 4.170 2.666 2.236 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 38 LEU HA 1 38 LEU QD 3.230 . 3.230 2.469 2.220 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 38 LEU HA 1 39 PRO HD3 3.580 . 3.580 2.334 2.251 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 38 LEU HA 1 39 PRO HD2 3.580 . 3.580 2.374 2.315 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 38 LEU HA 1 39 PRO QD 2.920 . 2.920 2.096 2.063 2.142 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 38 LEU HB3 1 38 LEU MD1 2.900 . 2.900 2.759 2.532 3.127 0.227 26 0 "[ . 1 . 2 . 3]" 1
673 1 38 LEU HB3 1 38 LEU MD2 2.900 . 2.900 2.171 2.142 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 38 LEU HB2 1 38 LEU MD1 2.900 . 2.900 2.198 2.150 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 38 LEU HB2 1 38 LEU MD2 2.900 . 2.900 3.000 2.628 3.159 0.259 19 0 "[ . 1 . 2 . 3]" 1
676 1 38 LEU QB 1 38 LEU QD 1.560 . 1.560 1.881 1.871 1.892 0.332 12 0 "[ . 1 . 2 . 3]" 1
677 1 38 LEU QB 1 39 PRO QB 4.570 . 4.570 4.672 4.616 4.791 0.221 28 0 "[ . 1 . 2 . 3]" 1
678 1 38 LEU QB 1 39 PRO QD 2.570 . 2.570 2.258 2.202 2.414 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 38 LEU QB 1 42 SER QB 2.570 . 2.570 2.739 2.574 3.039 0.469 22 0 "[ . 1 . 2 . 3]" 1
680 1 38 LEU MD1 1 42 SER HB3 5.100 . 5.100 4.452 3.208 5.255 0.155 18 0 "[ . 1 . 2 . 3]" 1
681 1 38 LEU MD1 1 42 SER HB2 5.100 . 5.100 4.091 3.220 5.255 0.155 23 0 "[ . 1 . 2 . 3]" 1
682 1 38 LEU MD2 1 42 SER HB3 5.100 . 5.100 4.004 2.992 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 38 LEU MD2 1 42 SER HB2 5.100 . 5.100 3.450 2.803 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 38 LEU QD 1 39 PRO QD 2.750 . 2.750 2.213 2.001 2.788 0.038 26 0 "[ . 1 . 2 . 3]" 1
685 1 38 LEU QD 1 39 PRO HG2 3.980 . 3.980 3.775 3.620 4.133 0.153 6 0 "[ . 1 . 2 . 3]" 1
686 1 38 LEU QD 1 42 SER QB 2.720 . 2.720 2.881 2.721 3.004 0.284 10 0 "[ . 1 . 2 . 3]" 1
687 1 38 LEU HG 1 39 PRO QD 4.120 . 4.120 3.381 2.590 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 38 LEU H 1 38 LEU HB3 3.920 . 3.920 3.620 3.525 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 38 LEU H 1 38 LEU HB2 3.920 . 3.920 2.414 2.250 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 38 LEU H 1 38 LEU QB 3.170 . 3.170 2.379 2.226 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 38 LEU H 1 38 LEU MD1 5.500 . 5.500 3.390 2.504 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 38 LEU H 1 38 LEU MD2 5.500 . 5.500 4.357 4.166 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 38 LEU H 1 38 LEU QD 4.370 . 4.370 3.246 2.488 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 38 LEU H 1 38 LEU HG 4.530 . 4.530 3.482 3.054 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 38 LEU H 1 75 THR HB 5.500 . 5.500 5.360 4.492 5.685 0.185 14 0 "[ . 1 . 2 . 3]" 1
696 1 38 LEU H 1 75 THR MG 4.220 . 4.220 4.028 3.324 4.312 0.092 28 0 "[ . 1 . 2 . 3]" 1
697 1 39 PRO HA 1 40 LEU QD 4.620 . 4.620 3.478 2.848 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 39 PRO HA 1 40 LEU H 3.410 . 3.410 2.480 2.111 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 39 PRO HA 1 74 PRO HB2 3.190 . 3.190 2.927 2.492 3.299 0.109 5 0 "[ . 1 . 2 . 3]" 1
700 1 39 PRO HA 1 75 THR HA 3.920 . 3.920 2.910 2.450 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 39 PRO HA 1 75 THR MG 3.420 . 3.420 2.401 2.184 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 39 PRO QB 1 40 LEU H 3.600 . 3.600 2.425 2.213 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 39 PRO QB 1 41 THR HG1 4.990 . 4.990 2.840 2.007 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 39 PRO QB 1 41 THR MG 4.640 . 4.640 3.337 2.286 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 39 PRO QB 1 41 THR H 4.370 . 4.370 2.232 2.169 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 39 PRO QB 1 42 SER H 5.340 . 5.340 3.759 3.631 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 39 PRO HD3 1 75 THR MG 4.200 . 4.200 3.159 2.963 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 39 PRO HD2 1 75 THR MG 4.200 . 4.200 4.254 4.035 4.362 0.162 22 0 "[ . 1 . 2 . 3]" 1
709 1 39 PRO QD 1 75 THR MG 3.580 . 3.580 3.079 2.892 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 39 PRO HG3 1 41 THR HG1 4.700 . 4.700 3.621 2.938 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 39 PRO HG2 1 40 LEU HA 5.500 . 5.500 5.462 5.363 5.699 0.199 28 0 "[ . 1 . 2 . 3]" 1
712 1 39 PRO HG2 1 40 LEU QD 4.900 . 4.900 4.296 4.054 5.162 0.262 28 0 "[ . 1 . 2 . 3]" 1
713 1 39 PRO HG2 1 40 LEU H 4.440 . 4.440 4.315 4.105 4.813 0.373 28 0 "[ . 1 . 2 . 3]" 1
714 1 39 PRO HG2 1 41 THR HA 5.500 . 5.500 5.284 5.121 5.515 0.015 29 0 "[ . 1 . 2 . 3]" 1
715 1 39 PRO HG2 1 41 THR HG1 5.140 . 5.140 2.770 1.852 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 39 PRO HG2 1 41 THR H 5.180 . 5.180 3.387 3.162 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 39 PRO HG2 1 42 SER HA 5.370 . 5.370 4.802 4.635 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 39 PRO HG2 1 42 SER H 4.040 . 4.040 3.082 2.851 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 40 LEU HA 1 40 LEU MD1 4.150 . 4.150 4.004 3.406 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 40 LEU HA 1 40 LEU MD2 4.150 . 4.150 3.531 3.438 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 40 LEU HA 1 40 LEU QD 3.440 . 3.440 3.284 3.070 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 40 LEU HA 1 43 TYR HB3 5.500 . 5.500 5.716 5.440 5.820 0.320 15 0 "[ . 1 . 2 . 3]" 1
723 1 40 LEU HA 1 43 TYR HB2 4.950 . 4.950 4.689 4.195 4.950 0.000 8 0 "[ . 1 . 2 . 3]" 1
724 1 40 LEU HA 1 43 TYR QD 3.480 . 3.480 3.153 2.401 3.581 0.101 8 0 "[ . 1 . 2 . 3]" 1
725 1 40 LEU HA 1 43 TYR QE 3.340 . 3.340 2.468 2.328 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 40 LEU HA 1 43 TYR H 4.260 . 4.260 3.713 3.573 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 40 LEU HA 1 45 LEU MD2 4.570 . 4.570 4.207 3.833 4.630 0.060 8 0 "[ . 1 . 2 . 3]" 1
728 1 40 LEU HB3 1 40 LEU MD1 3.520 . 3.520 2.549 2.385 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 40 LEU HB3 1 40 LEU MD2 3.520 . 3.520 2.308 2.168 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 40 LEU HB2 1 40 LEU MD1 3.520 . 3.520 2.315 2.161 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 40 LEU HB2 1 40 LEU MD2 3.520 . 3.520 3.047 2.188 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 40 LEU QB 1 40 LEU QD 1.560 . 1.560 1.911 1.883 2.010 0.450 20 0 "[ . 1 . 2 . 3]" 1
733 1 40 LEU QB 1 43 TYR QD 4.880 . 4.880 2.665 2.371 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 40 LEU QB 1 43 TYR QE 3.830 . 3.830 2.690 2.256 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 40 LEU QB 1 45 LEU MD1 3.560 . 3.560 2.793 2.352 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 40 LEU QB 1 45 LEU MD2 4.000 . 4.000 3.142 2.315 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 40 LEU MD1 1 45 LEU MD2 3.380 . 3.380 2.822 1.793 3.861 0.481 8 0 "[ . 1 . 2 . 3]" 1
738 1 40 LEU MD1 1 71 TRP HH2 4.730 . 4.730 3.770 2.921 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 40 LEU MD2 1 45 LEU MD2 3.380 . 3.380 3.524 1.827 4.031 0.651 28 1 "[ . 1 . 2 . + 3]" 1
740 1 40 LEU MD2 1 71 TRP HH2 4.730 . 4.730 4.206 3.511 4.971 0.241 28 0 "[ . 1 . 2 . 3]" 1
741 1 40 LEU QD 1 41 THR HA 4.170 . 4.170 3.292 2.208 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 40 LEU QD 1 41 THR MG 4.000 . 4.000 2.834 2.003 4.038 0.038 9 0 "[ . 1 . 2 . 3]" 1
743 1 40 LEU QD 1 41 THR H 5.030 . 5.030 1.838 1.623 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 40 LEU QD 1 43 TYR QD 3.990 . 3.990 3.897 3.114 4.062 0.072 17 0 "[ . 1 . 2 . 3]" 1
745 1 40 LEU QD 1 43 TYR QE 4.970 . 4.970 4.166 3.805 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 40 LEU QD 1 45 LEU MD2 2.910 . 2.910 2.603 1.789 2.919 0.009 26 0 "[ . 1 . 2 . 3]" 1
747 1 40 LEU QD 1 49 TYR HB3 4.960 . 4.960 5.048 4.635 5.254 0.294 17 0 "[ . 1 . 2 . 3]" 1
748 1 40 LEU QD 1 71 TRP HE3 5.310 . 5.310 3.368 2.954 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 40 LEU QD 1 71 TRP HH2 3.870 . 3.870 3.464 2.883 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 40 LEU HG 1 41 THR HA 4.900 . 4.900 3.379 2.984 5.409 0.509 17 1 "[ . 1 . + 2 . 3]" 1
751 1 40 LEU HG 1 41 THR MG 5.500 . 5.500 3.672 2.834 5.758 0.258 8 0 "[ . 1 . 2 . 3]" 1
752 1 40 LEU HG 1 41 THR H 5.130 . 5.130 2.802 2.394 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 40 LEU HG 1 43 TYR QD 5.500 . 5.500 4.518 4.086 5.587 0.087 17 0 "[ . 1 . 2 . 3]" 1
754 1 40 LEU H 1 40 LEU QB 3.530 . 3.530 2.493 2.330 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 40 LEU H 1 40 LEU MD1 4.290 . 4.290 3.496 1.575 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 40 LEU H 1 40 LEU MD2 4.290 . 4.290 1.933 1.579 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 40 LEU H 1 40 LEU QD 3.710 . 3.710 1.739 1.573 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 40 LEU H 1 40 LEU HG 4.030 . 4.030 3.159 1.667 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 40 LEU H 1 41 THR H 4.400 . 4.400 2.463 2.399 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 40 LEU H 1 45 LEU MD1 5.500 . 5.500 5.579 5.364 5.915 0.415 21 0 "[ . 1 . 2 . 3]" 1
761 1 40 LEU H 1 74 PRO HA 5.500 . 5.500 3.819 3.577 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 40 LEU H 1 74 PRO HB2 5.500 . 5.500 2.589 2.304 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 40 LEU H 1 75 THR MG 4.790 . 4.790 4.322 3.923 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 41 THR HA 1 41 THR MG 3.400 . 3.400 2.284 2.215 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 41 THR HA 1 43 TYR H 4.920 . 4.920 3.761 3.604 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 41 THR HA 1 45 LEU HB3 5.500 . 5.500 5.354 5.058 5.601 0.101 17 0 "[ . 1 . 2 . 3]" 1
767 1 41 THR HA 1 45 LEU MD2 5.450 . 5.450 2.297 2.077 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 41 THR HA 1 45 LEU H 3.980 . 3.980 3.770 3.568 4.091 0.111 28 0 "[ . 1 . 2 . 3]" 1
769 1 41 THR HB 1 42 SER H 5.370 . 5.370 3.422 2.748 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 41 THR HG1 1 42 SER H 4.910 . 4.910 3.308 1.789 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 41 THR MG 1 42 SER H 5.380 . 5.380 3.950 3.851 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 41 THR MG 1 44 GLY H 5.500 . 5.500 4.554 3.571 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 41 THR MG 1 45 LEU MD2 3.490 . 3.490 3.285 2.930 3.548 0.058 1 0 "[ . 1 . 2 . 3]" 1
774 1 41 THR MG 1 71 TRP HE3 5.500 . 5.500 4.576 3.378 5.682 0.182 7 0 "[ . 1 . 2 . 3]" 1
775 1 41 THR MG 1 71 TRP HH2 3.740 . 3.740 3.539 2.769 3.816 0.076 14 0 "[ . 1 . 2 . 3]" 1
776 1 41 THR MG 1 71 TRP HZ3 3.830 . 3.830 2.818 2.053 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 41 THR H 1 41 THR HG1 4.230 . 4.230 2.681 1.571 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 41 THR H 1 41 THR MG 3.690 . 3.690 2.676 1.956 3.702 0.012 9 0 "[ . 1 . 2 . 3]" 1
779 1 42 SER HA 1 44 GLY H 4.510 . 4.510 3.575 3.377 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 42 SER QB 1 43 TYR QD 3.840 . 3.840 3.588 3.216 3.946 0.106 23 0 "[ . 1 . 2 . 3]" 1
781 1 42 SER QB 1 43 TYR QE 4.340 . 4.340 3.656 3.138 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 42 SER QB 1 43 TYR H 4.430 . 4.430 2.997 2.690 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 42 SER H 1 42 SER QB 3.270 . 3.270 2.278 2.156 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 42 SER H 1 43 TYR QD 5.500 . 5.500 4.776 4.403 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 42 SER H 1 43 TYR H 3.660 . 3.660 2.847 2.619 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 42 SER H 1 44 GLY H 5.500 . 5.500 4.101 4.015 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 43 TYR HA 1 43 TYR QD 2.940 . 2.940 2.191 2.117 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 43 TYR HA 1 43 TYR QE 4.670 . 4.670 4.501 4.409 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 43 TYR HB3 1 45 LEU MD1 5.010 . 5.010 4.369 4.153 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 43 TYR HB2 1 44 GLY H 5.500 . 5.500 3.395 3.267 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 43 TYR HB2 1 45 LEU MD1 4.950 . 4.950 3.266 3.152 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 43 TYR QD 1 45 LEU MD2 3.290 . 3.290 3.083 2.568 3.294 0.004 8 0 "[ . 1 . 2 . 3]" 1
793 1 43 TYR QE 1 45 LEU MD1 5.500 . 5.500 4.364 4.140 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 43 TYR H 1 43 TYR HB3 4.190 . 4.190 3.574 3.555 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 43 TYR H 1 43 TYR HB2 3.670 . 3.670 2.672 2.547 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 43 TYR H 1 43 TYR QD 3.580 . 3.580 2.893 2.623 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 43 TYR H 1 43 TYR QE 5.500 . 5.500 4.116 3.913 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 43 TYR H 1 44 GLY H 3.200 . 3.200 2.562 2.444 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 44 GLY QA 1 45 LEU MD2 5.340 . 5.340 3.424 3.244 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 44 GLY H 1 45 LEU MD2 5.500 . 5.500 3.111 2.974 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 44 GLY H 1 45 LEU H 3.640 . 3.640 2.643 2.612 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 45 LEU HA 1 45 LEU HB2 3.010 . 3.010 2.348 2.295 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 45 LEU HA 1 45 LEU MD1 4.220 . 4.220 4.130 4.082 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 45 LEU HA 1 45 LEU MD2 4.360 . 4.360 3.425 3.393 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 45 LEU HA 1 49 TYR HB3 5.380 . 5.380 4.485 3.959 5.592 0.212 21 0 "[ . 1 . 2 . 3]" 1
806 1 45 LEU HA 1 49 TYR HB2 4.750 . 4.750 3.995 3.803 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 45 LEU HA 1 49 TYR QD 4.430 . 4.430 4.149 2.949 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 45 LEU HB3 1 45 LEU MD1 3.340 . 3.340 2.407 2.301 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 45 LEU HB2 1 45 LEU MD1 2.760 . 2.760 2.347 2.226 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 45 LEU HB2 1 49 TYR QD 4.090 . 4.090 2.344 2.197 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 45 LEU MD1 1 46 ASP H 5.500 . 5.500 4.675 3.913 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 45 LEU MD1 1 49 TYR HA 4.890 . 4.890 4.678 4.168 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 45 LEU MD1 1 49 TYR HB3 3.960 . 3.960 2.267 2.115 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 45 LEU MD1 1 49 TYR QD 2.940 . 2.940 2.418 2.211 3.220 0.280 21 0 "[ . 1 . 2 . 3]" 1
815 1 45 LEU MD1 1 49 TYR QE 4.240 . 4.240 4.273 3.945 4.739 0.499 21 0 "[ . 1 . 2 . 3]" 1
816 1 45 LEU MD1 1 50 ALA HA 4.350 . 4.350 3.186 2.389 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 45 LEU MD1 1 50 ALA H 5.500 . 5.500 3.341 2.756 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 45 LEU MD1 1 71 TRP HH2 5.260 . 5.260 4.861 4.029 5.305 0.045 21 0 "[ . 1 . 2 . 3]" 1
819 1 45 LEU MD2 1 49 TYR HB3 5.500 . 5.500 4.382 4.079 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 45 LEU MD2 1 49 TYR HB2 5.270 . 5.270 4.761 3.950 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 45 LEU MD2 1 49 TYR QE 5.500 . 5.500 5.765 5.561 5.876 0.376 12 0 "[ . 1 . 2 . 3]" 1
822 1 45 LEU MD2 1 71 TRP HH2 4.110 . 4.110 3.913 3.550 4.126 0.016 29 0 "[ . 1 . 2 . 3]" 1
823 1 45 LEU MD2 1 71 TRP HZ2 5.460 . 5.460 5.482 5.238 5.602 0.142 29 0 "[ . 1 . 2 . 3]" 1
824 1 45 LEU HG 1 46 ASP QB 5.340 . 5.340 4.897 4.586 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 45 LEU HG 1 46 ASP H 4.870 . 4.870 3.787 2.963 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 45 LEU HG 1 49 TYR HB3 5.500 . 5.500 3.051 2.535 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 45 LEU HG 1 49 TYR HB2 5.500 . 5.500 3.405 2.310 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 45 LEU HG 1 49 TYR H 5.500 . 5.500 4.507 3.926 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 45 LEU HG 1 50 ALA H 5.500 . 5.500 3.794 3.020 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 45 LEU H 1 45 LEU HB3 3.630 . 3.630 2.369 2.180 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 45 LEU H 1 45 LEU HB2 3.600 . 3.600 3.556 3.492 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 45 LEU H 1 45 LEU MD1 4.570 . 4.570 3.682 3.607 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 45 LEU H 1 45 LEU MD2 4.940 . 4.940 1.696 1.573 1.843 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 45 LEU H 1 45 LEU HG 4.400 . 4.400 3.595 3.436 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 46 ASP HB3 1 47 SER H 4.300 . 4.300 2.531 1.973 3.490 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 46 ASP HB2 1 47 SER H 4.300 . 4.300 3.605 3.291 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 46 ASP QB 1 47 SER H 3.550 . 3.550 2.459 1.958 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 46 ASP QB 1 48 VAL H 5.340 . 5.340 2.664 2.435 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 46 ASP QB 1 49 TYR H 5.100 . 5.100 2.937 2.689 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 46 ASP H 1 49 TYR HB2 3.940 . 3.940 2.899 1.964 4.067 0.127 21 0 "[ . 1 . 2 . 3]" 1
841 1 46 ASP H 1 49 TYR QD 5.500 . 5.500 3.863 1.967 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 46 ASP H 1 49 TYR H 5.500 . 5.500 4.034 3.442 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 47 SER HA 1 49 TYR H 5.500 . 5.500 3.885 3.583 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 47 SER HA 1 50 ALA MB 4.000 . 4.000 3.350 2.547 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 47 SER HA 1 50 ALA H 5.500 . 5.500 3.571 2.941 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 47 SER HA 1 71 TRP HH2 5.500 . 5.500 4.012 3.211 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 47 SER HA 1 71 TRP HZ2 3.370 . 3.370 2.997 2.491 3.435 0.065 4 0 "[ . 1 . 2 . 3]" 1
848 1 47 SER HB3 1 48 VAL H 5.220 . 5.220 3.585 2.711 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 47 SER HB3 1 71 TRP HZ2 5.500 . 5.500 4.112 2.609 5.516 0.016 14 0 "[ . 1 . 2 . 3]" 1
850 1 47 SER HB2 1 48 VAL H 5.220 . 5.220 3.467 2.675 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 47 SER HB2 1 71 TRP HZ2 5.500 . 5.500 4.240 2.597 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 47 SER H 1 48 VAL QG 3.820 . 3.820 3.609 3.220 3.914 0.094 21 0 "[ . 1 . 2 . 3]" 1
853 1 47 SER H 1 48 VAL H 3.800 . 3.800 2.583 2.459 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 48 VAL HA 1 49 TYR HA 4.910 . 4.910 4.789 4.700 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 48 VAL HA 1 50 ALA H 5.090 . 5.090 4.482 4.256 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 48 VAL HB 1 49 TYR H 4.090 . 4.090 3.503 2.954 4.094 0.004 20 0 "[ . 1 . 2 . 3]" 1
857 1 48 VAL MG1 1 49 TYR H 5.500 . 5.500 3.658 2.176 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 48 VAL MG2 1 49 TYR H 5.500 . 5.500 3.249 2.147 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 48 VAL H 1 48 VAL HB 3.780 . 3.780 2.942 2.419 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 48 VAL H 1 48 VAL MG1 3.970 . 3.970 2.915 1.956 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 48 VAL H 1 48 VAL MG2 3.970 . 3.970 2.197 1.783 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 48 VAL H 1 48 VAL QG 3.260 . 3.260 1.928 1.727 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 48 VAL H 1 49 TYR HB2 5.500 . 5.500 4.437 4.308 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 48 VAL H 1 49 TYR H 3.880 . 3.880 2.558 2.465 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 49 TYR HA 1 49 TYR QD 2.840 . 2.840 2.430 2.315 2.983 0.143 30 0 "[ . 1 . 2 . 3]" 1
866 1 49 TYR HA 1 49 TYR QE 5.070 . 5.070 4.215 4.145 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 49 TYR HA 1 52 SER HB3 5.090 . 5.090 3.500 2.693 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 49 TYR HA 1 52 SER HB2 5.090 . 5.090 4.015 3.097 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 49 TYR HA 1 52 SER QB 4.380 . 4.380 3.239 2.583 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 49 TYR HA 1 52 SER H 4.190 . 4.190 3.522 3.100 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 49 TYR HB3 1 50 ALA MB 5.500 . 5.500 4.114 3.914 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 49 TYR HB3 1 53 ILE MD 4.440 . 4.440 4.384 3.238 4.836 0.396 2 0 "[ . 1 . 2 . 3]" 1
873 1 49 TYR HB2 1 50 ALA MB 5.500 . 5.500 4.780 4.207 5.161 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 49 TYR QD 1 53 ILE MD 4.920 . 4.920 3.064 2.210 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 49 TYR H 1 49 TYR HB2 3.650 . 3.650 2.160 2.050 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 49 TYR H 1 49 TYR QD 5.500 . 5.500 3.365 1.911 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 50 ALA HA 1 53 ILE HB 3.690 . 3.690 2.565 2.335 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 50 ALA HA 1 53 ILE MD 5.180 . 5.180 4.939 3.374 5.476 0.296 4 0 "[ . 1 . 2 . 3]" 1
879 1 50 ALA HA 1 53 ILE MG 4.610 . 4.610 3.934 3.606 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 50 ALA HA 1 54 ALA H 4.560 . 4.560 2.885 2.328 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 50 ALA HA 1 70 ILE MG 4.570 . 4.570 4.419 3.735 4.704 0.134 2 0 "[ . 1 . 2 . 3]" 1
882 1 50 ALA MB 1 51 LEU QB 4.260 . 4.260 3.865 3.741 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 50 ALA MB 1 51 LEU H 3.260 . 3.260 2.511 2.303 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 50 ALA MB 1 53 ILE HB 4.360 . 4.360 4.183 3.945 4.536 0.176 4 0 "[ . 1 . 2 . 3]" 1
885 1 50 ALA MB 1 54 ALA H 5.280 . 5.280 3.879 3.620 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 50 ALA MB 1 71 TRP HH2 5.500 . 5.500 4.419 4.044 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 50 ALA MB 1 71 TRP HZ2 3.580 . 3.580 3.576 2.880 3.720 0.140 14 0 "[ . 1 . 2 . 3]" 1
888 1 50 ALA H 1 50 ALA MB 3.240 . 3.240 2.221 2.187 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 50 ALA H 1 51 LEU H 3.700 . 3.700 2.845 2.779 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 51 LEU HA 1 51 LEU MD1 4.120 . 4.120 3.196 2.512 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 51 LEU HA 1 51 LEU MD2 4.120 . 4.120 3.330 2.037 4.132 0.012 24 0 "[ . 1 . 2 . 3]" 1
892 1 51 LEU HA 1 51 LEU QD 3.020 . 3.020 2.869 1.984 3.391 0.371 21 0 "[ . 1 . 2 . 3]" 1
893 1 51 LEU HA 1 54 ALA MB 3.750 . 3.750 3.135 2.501 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 51 LEU HA 1 54 ALA H 5.500 . 5.500 4.279 3.732 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 51 LEU HB3 1 51 LEU MD1 3.520 . 3.520 2.733 2.257 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 51 LEU HB3 1 51 LEU MD2 3.520 . 3.520 2.386 2.158 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 51 LEU HB3 1 52 SER H 4.110 . 4.110 2.449 1.944 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 51 LEU HB2 1 51 LEU MD1 3.520 . 3.520 2.385 2.166 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 51 LEU HB2 1 51 LEU MD2 3.520 . 3.520 2.880 2.257 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 51 LEU HB2 1 52 SER H 4.110 . 4.110 3.691 3.367 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 51 LEU QB 1 51 LEU QD 1.570 . 1.570 1.910 1.877 2.007 0.437 10 0 "[ . 1 . 2 . 3]" 1
902 1 51 LEU QB 1 51 LEU HG 2.610 . 2.610 2.475 2.177 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 51 LEU QB 1 52 SER H 3.470 . 3.470 2.375 1.932 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 51 LEU QD 1 52 SER HA 4.380 . 4.380 2.552 2.231 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 51 LEU QD 1 52 SER QB 2.750 . 2.750 2.902 2.324 3.250 0.500 16 0 "[ . 1 . 2 . 3]" 1
906 1 51 LEU HG 1 52 SER QB 5.120 . 5.120 4.842 2.796 5.212 0.092 1 0 "[ . 1 . 2 . 3]" 1
907 1 51 LEU H 1 51 LEU HB3 3.970 . 3.970 2.559 2.234 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 51 LEU H 1 51 LEU HB2 3.970 . 3.970 2.626 2.225 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 51 LEU H 1 51 LEU QB 3.180 . 3.180 2.248 2.156 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 51 LEU H 1 51 LEU MD1 4.720 . 4.720 4.197 3.669 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 51 LEU H 1 51 LEU MD2 4.720 . 4.720 3.850 2.678 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 51 LEU H 1 51 LEU QD 4.080 . 4.080 3.544 2.616 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 51 LEU H 1 51 LEU HG 4.710 . 4.710 4.169 2.037 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 52 SER HA 1 53 ILE HA 5.050 . 5.050 4.774 4.727 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 52 SER HA 1 55 ALA MB 4.070 . 4.070 2.662 2.370 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 52 SER HA 1 56 GLU QB 5.340 . 5.340 5.191 4.357 5.475 0.135 6 0 "[ . 1 . 2 . 3]" 1
917 1 52 SER QB 1 53 ILE QG 2.570 . 2.570 2.870 2.739 3.012 0.442 10 0 "[ . 1 . 2 . 3]" 1
918 1 52 SER QB 1 53 ILE H 3.920 . 3.920 2.350 2.240 2.438 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 52 SER H 1 52 SER QB 3.370 . 3.370 2.241 2.183 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 52 SER H 1 53 ILE MD 5.500 . 5.500 5.269 4.693 5.560 0.060 23 0 "[ . 1 . 2 . 3]" 1
921 1 52 SER H 1 53 ILE H 3.510 . 3.510 2.662 2.622 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 53 ILE HA 1 53 ILE MD 4.220 . 4.220 2.242 2.085 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 53 ILE HA 1 53 ILE MG 3.680 . 3.680 2.297 2.259 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 53 ILE HA 1 56 GLU QB 4.520 . 4.520 2.747 2.289 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 53 ILE HA 1 56 GLU HG3 5.500 . 5.500 4.236 2.930 5.560 0.060 11 0 "[ . 1 . 2 . 3]" 1
926 1 53 ILE HA 1 56 GLU HG2 5.500 . 5.500 4.416 2.278 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 53 ILE HA 1 56 GLU H 4.370 . 4.370 3.343 3.211 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 53 ILE HB 1 53 ILE MD 3.640 . 3.640 3.169 2.311 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 53 ILE HB 1 54 ALA H 3.520 . 3.520 2.161 2.053 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 53 ILE MD 1 57 LEU H 5.500 . 5.500 5.180 4.833 5.963 0.463 20 0 "[ . 1 . 2 . 3]" 1
931 1 53 ILE MD 1 53 ILE MG 2.540 . 2.540 1.864 1.744 2.038 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 53 ILE QG 1 53 ILE MG 3.280 . 3.280 2.375 2.209 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 53 ILE MG 1 54 ALA HA 3.440 . 3.440 3.399 3.185 3.632 0.192 5 0 "[ . 1 . 2 . 3]" 1
934 1 53 ILE MG 1 54 ALA H 3.790 . 3.790 3.147 2.916 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 53 ILE MG 1 55 ALA H 5.500 . 5.500 4.800 4.631 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 53 ILE MG 1 56 GLU H 5.500 . 5.500 4.528 4.332 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 53 ILE MG 1 57 LEU H 5.500 . 5.500 3.736 3.366 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 53 ILE H 1 53 ILE HB 3.280 . 3.280 2.551 2.409 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 53 ILE H 1 53 ILE MD 4.220 . 4.220 3.292 2.736 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 53 ILE H 1 53 ILE QG 4.540 . 4.540 1.942 1.843 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 53 ILE H 1 53 ILE MG 4.150 . 4.150 3.746 3.724 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 54 ALA HA 1 55 ALA HA 5.500 . 5.500 4.787 4.770 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 54 ALA HA 1 56 GLU H 5.500 . 5.500 4.532 4.269 5.028 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 54 ALA HA 1 57 LEU HB2 3.750 . 3.750 2.754 2.531 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 54 ALA HA 1 57 LEU HG 5.300 . 5.300 4.637 3.241 5.497 0.197 19 0 "[ . 1 . 2 . 3]" 1
946 1 54 ALA HA 1 57 LEU H 4.630 . 4.630 3.667 3.548 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 54 ALA HA 1 70 ILE MD 4.550 . 4.550 4.484 4.264 4.608 0.058 1 0 "[ . 1 . 2 . 3]" 1
948 1 54 ALA MB 1 55 ALA H 3.370 . 3.370 2.579 2.450 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 54 ALA MB 1 58 GLU QG 5.340 . 5.340 3.694 3.329 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 54 ALA MB 1 70 ILE MD 3.080 . 3.080 2.288 2.135 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 54 ALA MB 1 70 ILE MG 5.370 . 5.370 2.946 2.346 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 54 ALA H 1 54 ALA MB 3.150 . 3.150 2.218 2.159 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 54 ALA H 1 55 ALA H 3.230 . 3.230 2.812 2.741 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 54 ALA H 1 57 LEU HB2 5.500 . 5.500 5.014 4.557 5.412 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 54 ALA H 1 70 ILE MD 4.690 . 4.690 4.760 4.552 4.887 0.197 26 0 "[ . 1 . 2 . 3]" 1
956 1 55 ALA HA 1 58 GLU QG 3.320 . 3.320 2.241 2.085 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 55 ALA HA 1 59 ASP H 4.860 . 4.860 3.822 3.488 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 55 ALA HA 1 65 LEU QD 5.440 . 5.440 3.769 3.135 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 55 ALA MB 1 56 GLU QB 4.630 . 4.630 4.056 3.708 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 55 ALA MB 1 56 GLU H 3.280 . 3.280 2.473 2.071 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 55 ALA MB 1 58 GLU HG3 4.930 . 4.930 4.007 3.829 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 55 ALA MB 1 58 GLU HG2 4.930 . 4.930 4.164 3.903 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 55 ALA MB 1 58 GLU QG 4.230 . 4.230 3.630 3.493 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 55 ALA MB 1 58 GLU H 5.500 . 5.500 5.076 4.870 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 55 ALA H 1 55 ALA MB 2.970 . 2.970 2.224 2.158 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 55 ALA H 1 56 GLU QB 5.340 . 5.340 4.542 4.277 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 55 ALA H 1 57 LEU H 5.500 . 5.500 4.230 4.095 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 56 GLU HA 1 56 GLU QG 3.530 . 3.530 2.529 2.281 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 56 GLU HA 1 57 LEU QD 5.440 . 5.440 4.734 4.265 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 56 GLU HA 1 59 ASP H 5.060 . 5.060 3.645 3.482 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 56 GLU HB3 1 57 LEU H 4.590 . 4.590 3.169 2.358 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 56 GLU HB2 1 57 LEU H 4.590 . 4.590 2.896 2.459 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 56 GLU QB 1 57 LEU H 3.820 . 3.820 2.502 2.334 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 56 GLU H 1 56 GLU HB3 3.860 . 3.860 3.280 2.539 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 56 GLU H 1 56 GLU HB2 3.860 . 3.860 2.460 2.093 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 56 GLU H 1 56 GLU QB 3.050 . 3.050 2.320 2.072 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 56 GLU H 1 56 GLU HG3 4.820 . 4.820 3.404 2.269 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 56 GLU H 1 56 GLU HG2 4.820 . 4.820 3.430 1.758 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 56 GLU H 1 56 GLU QG 4.080 . 4.080 2.819 1.747 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 56 GLU H 1 57 LEU HA 5.500 . 5.500 5.333 5.225 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 56 GLU H 1 57 LEU H 3.490 . 3.490 2.707 2.598 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 56 GLU H 1 58 GLU H 5.500 . 5.500 4.496 4.049 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 57 LEU HA 1 57 LEU MD1 3.910 . 3.910 3.066 2.293 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 57 LEU HA 1 57 LEU MD2 3.910 . 3.910 3.027 2.070 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 57 LEU HA 1 57 LEU QD 2.880 . 2.880 2.297 2.061 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 57 LEU HA 1 57 LEU HG 3.460 . 3.460 2.618 2.230 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 57 LEU HA 1 59 ASP QB 5.280 . 5.280 5.031 4.794 5.376 0.096 6 0 "[ . 1 . 2 . 3]" 1
988 1 57 LEU HA 1 59 ASP H 5.500 . 5.500 4.452 4.273 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 57 LEU HA 1 60 HIS HB3 4.740 . 4.740 4.637 3.452 4.780 0.040 3 0 "[ . 1 . 2 . 3]" 1
990 1 57 LEU HA 1 60 HIS HB2 4.740 . 4.740 3.115 2.895 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 57 LEU HA 1 60 HIS QB 3.920 . 3.920 3.063 2.860 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 57 LEU HA 1 60 HIS H 4.590 . 4.590 3.695 3.546 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 57 LEU HA 1 61 LEU MD1 5.500 . 5.500 5.370 3.795 5.957 0.457 17 0 "[ . 1 . 2 . 3]" 1
994 1 57 LEU HA 1 61 LEU MD2 4.500 . 4.500 3.724 3.312 4.725 0.225 20 0 "[ . 1 . 2 . 3]" 1
995 1 57 LEU HA 1 61 LEU H 5.500 . 5.500 4.998 4.681 5.341 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 57 LEU HB3 1 58 GLU HA 4.380 . 4.380 4.115 3.862 4.471 0.091 27 0 "[ . 1 . 2 . 3]" 1
997 1 57 LEU HB3 1 58 GLU H 4.430 . 4.430 3.068 2.687 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 57 LEU HB2 1 57 LEU MD1 3.540 . 3.540 2.320 2.209 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 57 LEU HB2 1 57 LEU MD2 3.540 . 3.540 2.746 2.275 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 57 LEU HB2 1 65 LEU QD 3.750 . 3.750 3.741 3.084 4.259 0.509 9 1 "[ . +1 . 2 . 3]" 1
1001 1 57 LEU QD 1 59 ASP H 5.440 . 5.440 5.121 4.927 5.462 0.022 20 0 "[ . 1 . 2 . 3]" 1
1002 1 57 LEU QD 1 60 HIS H 5.440 . 5.440 5.087 4.947 5.263 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 57 LEU HG 1 58 GLU H 5.230 . 5.230 4.490 3.897 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 57 LEU H 1 57 LEU HB2 3.810 . 3.810 2.360 2.117 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 57 LEU H 1 57 LEU MD1 5.500 . 5.500 2.612 1.863 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 57 LEU H 1 57 LEU MD2 5.500 . 5.500 3.553 2.742 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 57 LEU H 1 57 LEU QD 4.010 . 4.010 2.405 1.857 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 57 LEU H 1 57 LEU HG 4.140 . 4.140 2.990 1.828 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 58 GLU HA 1 58 GLU HG3 4.230 . 4.230 3.563 3.539 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 58 GLU HA 1 58 GLU HG2 4.230 . 4.230 4.170 3.733 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 58 GLU HA 1 60 HIS QB 5.340 . 5.340 4.594 4.304 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 58 GLU HA 1 61 LEU H 4.830 . 4.830 3.265 3.083 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 58 GLU HA 1 63 VAL QG 3.920 . 3.920 2.351 2.185 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 58 GLU HA 1 63 VAL H 4.410 . 4.410 4.036 3.648 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 58 GLU HA 1 65 LEU QD 3.320 . 3.320 3.395 3.023 3.760 0.440 23 0 "[ . 1 . 2 . 3]" 1
1016 1 58 GLU HB3 1 63 VAL MG1 5.520 . 5.520 5.796 5.602 5.908 0.388 13 0 "[ . 1 . 2 . 3]" 1
1017 1 58 GLU HB3 1 63 VAL MG2 3.520 . 3.520 3.153 2.853 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 58 GLU HB3 1 65 LEU MD1 3.520 . 3.520 2.302 1.983 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 58 GLU HB3 1 65 LEU MD2 3.520 . 3.520 2.235 2.041 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 58 GLU HB2 1 63 VAL MG1 4.520 . 4.520 4.780 4.693 4.858 0.338 13 0 "[ . 1 . 2 . 3]" 1
1021 1 58 GLU HB2 1 63 VAL MG2 3.520 . 3.520 2.204 2.144 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 58 GLU HB2 1 65 LEU MD1 3.520 . 3.520 2.987 1.999 3.730 0.210 17 0 "[ . 1 . 2 . 3]" 1
1023 1 58 GLU HB2 1 65 LEU MD2 4.520 . 4.520 3.225 2.763 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 58 GLU QB 1 59 ASP H 4.460 . 4.460 3.434 3.370 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 58 GLU QB 1 63 VAL QG 2.060 . 2.060 2.159 2.096 2.205 0.145 17 0 "[ . 1 . 2 . 3]" 1
1026 1 58 GLU QB 1 65 LEU QD 2.560 . 2.560 1.894 1.721 2.022 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 58 GLU QB 1 65 LEU HG 3.930 . 3.930 2.584 2.149 4.019 0.089 9 0 "[ . 1 . 2 . 3]" 1
1028 1 58 GLU QB 1 65 LEU H 5.340 . 5.340 3.738 3.486 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 58 GLU HG3 1 65 LEU MD1 3.530 . 3.530 3.435 3.251 4.031 0.501 17 1 "[ . 1 . + 2 . 3]" 1
1030 1 58 GLU HG3 1 65 LEU MD2 4.530 . 4.530 4.348 3.352 4.626 0.096 2 0 "[ . 1 . 2 . 3]" 1
1031 1 58 GLU HG2 1 65 LEU MD1 3.530 . 3.530 2.296 1.976 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 58 GLU HG2 1 65 LEU MD2 3.530 . 3.530 3.518 2.305 3.888 0.358 27 0 "[ . 1 . 2 . 3]" 1
1033 1 58 GLU QG 1 59 ASP H 3.410 . 3.410 1.898 1.772 2.094 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 58 GLU QG 1 65 LEU QD 2.570 . 2.570 2.202 1.911 2.868 0.298 17 0 "[ . 1 . 2 . 3]" 1
1035 1 58 GLU QG 1 65 LEU HG 5.340 . 5.340 3.358 2.217 5.333 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 58 GLU H 1 58 GLU QB 3.660 . 3.660 2.487 2.351 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 58 GLU H 1 58 GLU HG3 4.220 . 4.220 2.178 1.900 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 58 GLU H 1 58 GLU HG2 4.220 . 4.220 3.078 2.294 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 58 GLU H 1 58 GLU QG 3.590 . 3.590 2.102 1.882 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 58 GLU H 1 59 ASP QB 4.880 . 4.880 4.470 4.266 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 58 GLU H 1 59 ASP H 3.530 . 3.530 2.694 2.543 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 58 GLU H 1 63 VAL QG 5.440 . 5.440 4.515 4.393 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 58 GLU H 1 65 LEU QD 4.230 . 4.230 3.187 2.903 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 59 ASP QB 1 60 HIS H 3.630 . 3.630 2.873 2.594 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 59 ASP H 1 59 ASP HB3 3.890 . 3.890 2.875 2.369 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 59 ASP H 1 59 ASP HB2 3.890 . 3.890 2.496 2.236 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 59 ASP H 1 59 ASP QB 3.080 . 3.080 2.243 2.213 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 59 ASP H 1 60 HIS H 3.540 . 3.540 2.633 2.561 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 59 ASP H 1 65 LEU QD 5.440 . 5.440 4.542 4.381 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 60 HIS HA 1 60 HIS HE1 4.820 . 4.820 4.539 4.301 4.842 0.022 2 0 "[ . 1 . 2 . 3]" 1
1051 1 60 HIS HB3 1 61 LEU MD1 4.520 . 4.520 2.995 2.039 4.604 0.084 25 0 "[ . 1 . 2 . 3]" 1
1052 1 60 HIS HB3 1 61 LEU MD2 3.520 . 3.520 2.479 2.035 4.383 0.863 24 2 "[ . 1 - 2 +. 3]" 1
1053 1 60 HIS HB3 1 61 LEU H 4.520 . 4.520 3.431 2.598 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 60 HIS HB2 1 61 LEU MD1 3.520 . 3.520 3.582 2.281 4.399 0.879 25 2 "[ .- 1 . 2 + 3]" 1
1055 1 60 HIS HB2 1 61 LEU MD2 3.520 . 3.520 2.372 2.008 4.024 0.504 24 1 "[ . 1 . 2 +. 3]" 1
1056 1 60 HIS HB2 1 61 LEU H 4.520 . 4.520 2.947 2.697 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 60 HIS QB 1 60 HIS HD2 3.380 . 3.380 2.689 2.634 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 60 HIS QB 1 61 LEU QD 1.560 . 1.560 1.938 1.872 2.085 0.525 25 1 "[ . 1 . 2 + 3]" 1
1059 1 60 HIS QB 1 61 LEU H 3.710 . 3.710 2.757 2.555 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 60 HIS H 1 60 HIS HB3 3.940 . 3.940 3.502 2.554 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 60 HIS H 1 60 HIS HB2 3.940 . 3.940 2.256 2.158 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 60 HIS H 1 60 HIS QB 3.380 . 3.380 2.223 2.138 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 60 HIS H 1 61 LEU QB 5.340 . 5.340 4.768 4.474 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 60 HIS H 1 61 LEU QD 5.440 . 5.440 3.135 2.781 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 61 LEU HA 1 61 LEU MD1 4.050 . 4.050 2.314 1.969 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 61 LEU HA 1 61 LEU MD2 4.050 . 4.050 3.053 2.189 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 61 LEU HA 1 61 LEU QD 3.150 . 3.150 2.070 1.950 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 61 LEU HA 1 63 VAL QG 4.500 . 4.500 3.807 3.688 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 61 LEU HB3 1 61 LEU MD1 3.140 . 3.140 2.471 2.308 3.223 0.083 15 0 "[ . 1 . 2 . 3]" 1
1070 1 61 LEU HB3 1 61 LEU MD2 3.140 . 3.140 3.034 2.371 3.194 0.054 17 0 "[ . 1 . 2 . 3]" 1
1071 1 61 LEU HB3 1 63 VAL MG1 3.520 . 3.520 3.521 3.157 3.996 0.476 6 0 "[ . 1 . 2 . 3]" 1
1072 1 61 LEU HB3 1 63 VAL MG2 3.520 . 3.520 2.981 2.569 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 61 LEU HB2 1 61 LEU MD1 3.140 . 3.140 3.038 2.231 3.216 0.076 21 0 "[ . 1 . 2 . 3]" 1
1074 1 61 LEU HB2 1 61 LEU MD2 3.140 . 3.140 2.330 2.146 3.218 0.078 6 0 "[ . 1 . 2 . 3]" 1
1075 1 61 LEU HB2 1 63 VAL MG1 3.520 . 3.520 3.425 2.935 3.767 0.247 15 0 "[ . 1 . 2 . 3]" 1
1076 1 61 LEU HB2 1 63 VAL MG2 3.520 . 3.520 2.024 1.956 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 61 LEU QB 1 61 LEU QD 1.550 . 1.550 1.985 1.935 2.059 0.509 22 1 "[ . 1 . 2 + . 3]" 1
1078 1 61 LEU QB 1 62 ASP H 4.160 . 4.160 3.549 2.600 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 61 LEU QB 1 63 VAL HB 4.430 . 4.430 4.516 4.435 4.778 0.348 13 0 "[ . 1 . 2 . 3]" 1
1080 1 61 LEU QB 1 63 VAL QG 1.560 . 1.560 1.963 1.916 2.093 0.533 24 3 "[ . 1 - . 2 +* 3]" 1
1081 1 61 LEU MD1 1 62 ASP H 5.500 . 5.500 4.419 3.854 5.382 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 61 LEU MD2 1 62 ASP H 5.500 . 5.500 3.990 3.207 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 61 LEU H 1 61 LEU HB3 3.660 . 3.660 3.667 3.556 3.709 0.049 19 0 "[ . 1 . 2 . 3]" 1
1084 1 61 LEU H 1 61 LEU HB2 3.660 . 3.660 2.605 2.297 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 61 LEU H 1 61 LEU MD1 4.410 . 4.410 3.108 1.821 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 61 LEU H 1 61 LEU MD2 4.410 . 4.410 1.987 1.579 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 61 LEU H 1 61 LEU QD 3.590 . 3.590 1.874 1.567 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 61 LEU H 1 61 LEU HG 3.950 . 3.950 3.635 1.792 4.171 0.221 15 0 "[ . 1 . 2 . 3]" 1
1089 1 61 LEU H 1 62 ASP H 2.910 . 2.910 2.595 2.403 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 61 LEU H 1 63 VAL QG 4.610 . 4.610 3.229 2.889 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 61 LEU H 1 63 VAL H 5.500 . 5.500 4.124 3.896 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 62 ASP HB3 1 63 VAL MG1 4.520 . 4.520 4.204 4.043 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 62 ASP HB3 1 63 VAL MG2 4.520 . 4.520 4.966 4.862 5.133 0.613 25 6 "[ * . 1 - . 2* *+ *]" 1
1094 1 62 ASP HB2 1 63 VAL MG1 3.520 . 3.520 3.700 3.412 3.881 0.361 27 0 "[ . 1 . 2 . 3]" 1
1095 1 62 ASP HB2 1 63 VAL MG2 4.520 . 4.520 4.425 4.289 4.549 0.029 30 0 "[ . 1 . 2 . 3]" 1
1096 1 62 ASP QB 1 63 VAL QG 3.070 . 3.070 3.298 3.156 3.422 0.352 27 0 "[ . 1 . 2 . 3]" 1
1097 1 62 ASP H 1 63 VAL H 3.740 . 3.740 3.034 2.468 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 63 VAL HA 1 64 SER H 3.110 . 3.110 2.354 2.290 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 63 VAL HB 1 64 SER QB 5.340 . 5.340 4.842 4.449 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 63 VAL HB 1 64 SER H 4.020 . 4.020 2.615 2.311 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 63 VAL MG1 1 64 SER H 4.870 . 4.870 3.464 3.392 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 63 VAL MG2 1 64 SER H 4.870 . 4.870 3.837 3.563 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 63 VAL QG 1 64 SER QB 4.750 . 4.750 4.632 4.433 4.805 0.055 20 0 "[ . 1 . 2 . 3]" 1
1104 1 63 VAL QG 1 64 SER H 3.750 . 3.750 3.220 3.138 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 63 VAL H 1 63 VAL MG1 4.420 . 4.420 3.338 3.244 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 63 VAL H 1 63 VAL MG2 4.420 . 4.420 2.172 2.076 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 63 VAL H 1 63 VAL QG 3.680 . 3.680 2.145 2.056 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 63 VAL H 1 64 SER H 5.500 . 5.500 4.388 4.373 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 64 SER HA 1 65 LEU HG 5.500 . 5.500 3.553 3.124 5.256 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 64 SER HA 1 65 LEU H 3.400 . 3.400 2.185 2.128 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 64 SER QB 1 65 LEU HG 5.340 . 5.340 4.978 4.557 5.738 0.398 9 0 "[ . 1 . 2 . 3]" 1
1112 1 64 SER H 1 64 SER QB 3.420 . 3.420 2.619 2.353 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 64 SER H 1 65 LEU HG 5.190 . 5.190 4.930 4.433 5.569 0.379 10 0 "[ . 1 . 2 . 3]" 1
1114 1 65 LEU HA 1 65 LEU QD 3.730 . 3.730 2.812 2.110 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 65 LEU HA 1 66 ASP H 3.160 . 3.160 2.363 2.276 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 65 LEU HB3 1 65 LEU MD1 3.520 . 3.520 2.858 2.245 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 65 LEU HB3 1 65 LEU MD2 3.520 . 3.520 2.273 2.164 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 65 LEU HB2 1 65 LEU MD1 3.520 . 3.520 2.310 2.184 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 65 LEU HB2 1 65 LEU MD2 3.520 . 3.520 2.741 2.306 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 65 LEU QB 1 65 LEU QD 1.570 . 1.570 1.909 1.881 1.933 0.363 3 0 "[ . 1 . 2 . 3]" 1
1121 1 65 LEU QB 1 65 LEU HG 2.480 . 2.480 2.393 2.329 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 65 LEU QB 1 66 ASP H 3.520 . 3.520 2.576 2.358 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 65 LEU MD1 1 66 ASP H 4.940 . 4.940 4.434 3.713 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 65 LEU MD2 1 66 ASP H 4.940 . 4.940 4.228 3.687 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 65 LEU QD 1 66 ASP QB 5.240 . 5.240 5.024 4.651 5.329 0.089 20 0 "[ . 1 . 2 . 3]" 1
1126 1 65 LEU QD 1 66 ASP H 3.970 . 3.970 3.796 3.540 4.137 0.167 20 0 "[ . 1 . 2 . 3]" 1
1127 1 65 LEU QD 1 70 ILE HA 5.000 . 5.000 4.156 3.656 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 65 LEU QD 1 70 ILE H 5.440 . 5.440 5.007 4.542 5.346 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 65 LEU H 1 65 LEU MD1 5.130 . 5.130 2.462 1.618 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 65 LEU H 1 65 LEU MD2 5.130 . 5.130 3.544 2.777 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 65 LEU H 1 65 LEU HG 4.370 . 4.370 2.518 1.957 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 66 ASP HA 1 67 PRO HG3 5.350 . 5.350 4.447 4.101 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 66 ASP HA 1 67 PRO HG2 5.350 . 5.350 4.582 4.516 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 66 ASP HA 1 67 PRO QG 4.530 . 4.530 4.013 3.848 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 66 ASP HA 1 68 THR H 5.900 . 5.900 5.130 4.964 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 66 ASP HA 1 70 ILE MD 4.510 . 4.510 4.662 4.523 4.767 0.257 5 0 "[ . 1 . 2 . 3]" 1
1137 1 66 ASP HB3 1 69 LEU MD1 3.520 . 3.520 3.620 3.452 4.233 0.713 29 4 "[ . - 1 . 2 * . * +3]" 1
1138 1 66 ASP HB3 1 69 LEU MD2 4.520 . 4.520 4.461 4.270 4.578 0.058 18 0 "[ . 1 . 2 . 3]" 1
1139 1 66 ASP HB2 1 69 LEU MD1 3.520 . 3.520 2.466 2.227 3.624 0.104 29 0 "[ . 1 . 2 . 3]" 1
1140 1 66 ASP HB2 1 69 LEU MD2 3.520 . 3.520 3.807 3.697 3.995 0.475 7 0 "[ . 1 . 2 . 3]" 1
1141 1 66 ASP QB 1 67 PRO QB 4.570 . 4.570 4.574 4.344 4.728 0.158 17 0 "[ . 1 . 2 . 3]" 1
1142 1 66 ASP QB 1 67 PRO QD 2.570 . 2.570 2.439 2.273 2.827 0.257 8 0 "[ . 1 . 2 . 3]" 1
1143 1 66 ASP QB 1 68 THR H 4.750 . 4.750 3.641 3.447 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 66 ASP QB 1 69 LEU QB 1.570 . 1.570 1.877 1.784 1.927 0.357 4 0 "[ . 1 . 2 . 3]" 1
1145 1 66 ASP QB 1 69 LEU QD 2.570 . 2.570 2.362 2.183 3.154 0.584 29 4 "[ . * 1 . 2 * . - +3]" 1
1146 1 66 ASP QB 1 69 LEU HG 5.340 . 5.340 3.862 2.722 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 66 ASP H 1 66 ASP HB3 3.620 . 3.620 3.357 3.288 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 66 ASP H 1 66 ASP HB2 3.620 . 3.620 2.210 2.181 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 66 ASP H 1 67 PRO HD3 5.500 . 5.500 5.023 4.776 5.196 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 66 ASP H 1 67 PRO HD2 5.500 . 5.500 4.859 4.704 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 66 ASP H 1 69 LEU QD 5.440 . 5.440 2.438 2.153 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 67 PRO HA 1 69 LEU H 5.320 . 5.320 4.047 3.925 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 67 PRO HA 1 70 ILE HB 3.860 . 3.860 3.781 3.639 3.895 0.035 4 0 "[ . 1 . 2 . 3]" 1
1154 1 67 PRO HA 1 70 ILE MD 4.530 . 4.530 2.580 2.296 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 67 PRO HA 1 70 ILE HG12 5.500 . 5.500 5.367 5.149 5.671 0.171 29 0 "[ . 1 . 2 . 3]" 1
1156 1 67 PRO HA 1 70 ILE MG 5.500 . 5.500 4.998 4.851 5.126 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 67 PRO HA 1 70 ILE H 4.120 . 4.120 3.845 3.733 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 67 PRO QB 1 70 ILE MD 4.900 . 4.900 4.234 3.924 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 67 PRO QD 1 68 THR H 4.130 . 4.130 3.167 2.830 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 67 PRO QG 1 68 THR MG 4.670 . 4.670 3.506 2.278 4.850 0.180 2 0 "[ . 1 . 2 . 3]" 1
1161 1 67 PRO QG 1 68 THR H 4.140 . 4.140 2.424 1.758 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 68 THR HA 1 68 THR MG 3.530 . 3.530 2.556 2.241 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 68 THR MG 1 71 TRP HD1 5.500 . 5.500 4.572 3.832 5.550 0.050 15 0 "[ . 1 . 2 . 3]" 1
1164 1 68 THR MG 1 71 TRP H 5.500 . 5.500 5.132 4.400 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 68 THR H 1 68 THR HG1 4.470 . 4.470 3.229 1.840 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 68 THR H 1 68 THR MG 3.960 . 3.960 2.285 1.728 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 68 THR H 1 69 LEU H 3.680 . 3.680 2.626 2.582 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 69 LEU HA 1 69 LEU MD1 4.250 . 4.250 3.543 3.209 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 69 LEU HA 1 69 LEU MD2 4.250 . 4.250 3.037 1.970 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 69 LEU HA 1 69 LEU QD 3.320 . 3.320 2.855 1.953 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 69 LEU HA 1 69 LEU HG 3.830 . 3.830 2.524 2.318 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 69 LEU HA 1 70 ILE HA 5.200 . 5.200 4.831 4.786 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 69 LEU HA 1 70 ILE HG13 5.500 . 5.500 5.434 5.380 5.496 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 69 LEU HA 1 72 ASP QB 3.530 . 3.530 2.345 2.150 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 69 LEU HA 1 72 ASP H 4.460 . 4.460 3.280 3.115 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 69 LEU HA 1 73 HIS HD2 5.340 . 5.340 5.389 5.142 5.553 0.213 22 0 "[ . 1 . 2 . 3]" 1
1177 1 69 LEU HA 1 73 HIS HE1 5.500 . 5.500 5.442 4.757 5.559 0.059 9 0 "[ . 1 . 2 . 3]" 1
1178 1 69 LEU HB3 1 69 LEU MD1 3.520 . 3.520 2.484 2.135 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 69 LEU HB3 1 69 LEU MD2 3.520 . 3.520 2.317 2.138 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 69 LEU HB2 1 69 LEU MD1 3.520 . 3.520 2.358 2.194 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 69 LEU HB2 1 69 LEU MD2 3.520 . 3.520 3.104 2.363 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 69 LEU QB 1 69 LEU QD 1.560 . 1.560 1.899 1.874 1.972 0.412 22 0 "[ . 1 . 2 . 3]" 1
1183 1 69 LEU QB 1 69 LEU HG 2.620 . 2.620 2.413 2.167 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 69 LEU QB 1 70 ILE H 4.070 . 4.070 2.576 2.519 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 69 LEU MD1 1 73 HIS HD2 4.490 . 4.490 3.241 2.244 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 69 LEU MD1 1 73 HIS H 5.500 . 5.500 5.336 3.448 5.820 0.320 28 0 "[ . 1 . 2 . 3]" 1
1187 1 69 LEU MD2 1 73 HIS HD2 4.490 . 4.490 2.386 2.099 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 69 LEU MD2 1 73 HIS H 5.500 . 5.500 3.282 3.086 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 69 LEU QD 1 70 ILE HA 3.330 . 3.330 2.586 2.465 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 69 LEU QD 1 70 ILE MG 3.940 . 3.940 4.136 3.962 4.212 0.272 8 0 "[ . 1 . 2 . 3]" 1
1191 1 69 LEU QD 1 70 ILE H 5.440 . 5.440 2.880 2.671 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 69 LEU QD 1 72 ASP QB 2.750 . 2.750 2.984 2.207 3.159 0.409 28 0 "[ . 1 . 2 . 3]" 1
1193 1 69 LEU QD 1 73 HIS QB 2.720 . 2.720 2.931 2.783 3.106 0.386 14 0 "[ . 1 . 2 . 3]" 1
1194 1 69 LEU QD 1 73 HIS HD2 2.970 . 2.970 2.281 2.073 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 69 LEU QD 1 73 HIS HE1 4.520 . 4.520 4.286 2.876 4.605 0.085 25 0 "[ . 1 . 2 . 3]" 1
1196 1 69 LEU QD 1 73 HIS H 4.620 . 4.620 3.193 3.071 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 69 LEU HG 1 73 HIS HD2 4.360 . 4.360 3.548 3.217 4.398 0.038 29 0 "[ . 1 . 2 . 3]" 1
1198 1 69 LEU HG 1 73 HIS HE1 5.500 . 5.500 4.785 4.400 5.888 0.388 27 0 "[ . 1 . 2 . 3]" 1
1199 1 69 LEU H 1 69 LEU QB 3.360 . 3.360 2.264 2.252 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 69 LEU H 1 69 LEU MD1 5.150 . 5.150 4.254 3.938 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 69 LEU H 1 69 LEU MD2 5.150 . 5.150 4.034 3.995 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 69 LEU H 1 69 LEU QD 4.220 . 4.220 3.681 3.533 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 69 LEU H 1 69 LEU HG 4.740 . 4.740 4.461 4.411 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 70 ILE HA 1 70 ILE MD 4.120 . 4.120 3.819 3.807 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 70 ILE HB 1 71 TRP HD1 4.200 . 4.200 3.882 3.559 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 70 ILE HB 1 71 TRP H 4.740 . 4.740 2.675 2.568 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 70 ILE MD 1 71 TRP HD1 5.310 . 5.310 4.944 4.655 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 70 ILE MD 1 71 TRP HE1 5.500 . 5.500 5.057 4.787 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 70 ILE MD 1 71 TRP H 5.500 . 5.500 4.459 4.370 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 70 ILE MD 1 70 ILE MG 2.700 . 2.700 2.009 1.875 2.116 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 70 ILE HG12 1 70 ILE MG 3.430 . 3.430 2.281 2.254 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 70 ILE MG 1 71 TRP HA 4.400 . 4.400 3.359 3.287 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 70 ILE MG 1 71 TRP HD1 4.990 . 4.990 4.420 4.077 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 70 ILE MG 1 71 TRP H 4.400 . 4.400 3.305 3.215 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 70 ILE H 1 70 ILE HB 3.300 . 3.300 2.411 2.384 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 70 ILE H 1 70 ILE MD 4.260 . 4.260 3.267 3.161 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 70 ILE H 1 70 ILE HG13 4.300 . 4.300 2.270 2.180 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 70 ILE H 1 70 ILE HG12 4.050 . 4.050 3.675 3.590 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 70 ILE H 1 70 ILE MG 4.300 . 4.300 3.733 3.723 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 70 ILE H 1 71 TRP HB2 5.380 . 5.380 4.828 4.680 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 70 ILE H 1 71 TRP HD1 5.500 . 5.500 4.759 4.457 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 70 ILE H 1 71 TRP H 3.860 . 3.860 2.726 2.669 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 70 ILE H 1 72 ASP H 4.280 . 4.280 3.819 3.750 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 71 TRP HA 1 71 TRP HD1 4.510 . 4.510 4.314 4.214 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 71 TRP HA 1 71 TRP HE3 3.660 . 3.660 2.510 2.270 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 71 TRP HA 1 71 TRP HZ3 5.500 . 5.500 4.656 4.469 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 71 TRP HA 1 73 HIS H 5.500 . 5.500 4.269 4.172 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 71 TRP HB3 1 72 ASP H 4.590 . 4.590 4.135 3.881 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 71 TRP HB2 1 71 TRP HD1 3.290 . 3.290 2.545 2.527 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 71 TRP HB2 1 72 ASP H 4.390 . 4.390 3.451 3.194 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 71 TRP H 1 71 TRP HB2 4.070 . 4.070 2.337 2.266 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 71 TRP H 1 72 ASP H 3.750 . 3.750 2.503 2.413 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 72 ASP HB3 1 73 HIS HE1 5.270 . 5.270 3.264 2.559 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 72 ASP HB3 1 73 HIS H 5.500 . 5.500 2.959 2.528 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 72 ASP HB2 1 73 HIS HE1 5.270 . 5.270 4.313 3.007 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 72 ASP HB2 1 73 HIS H 5.500 . 5.500 3.591 2.762 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 72 ASP QB 1 73 HIS HD2 4.470 . 4.470 4.236 4.056 4.619 0.149 27 0 "[ . 1 . 2 . 3]" 1
1238 1 72 ASP QB 1 73 HIS HE1 4.580 . 4.580 3.168 2.476 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 72 ASP H 1 72 ASP HB3 4.090 . 4.090 2.877 2.581 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 72 ASP H 1 72 ASP HB2 4.090 . 4.090 2.572 2.400 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 72 ASP H 1 72 ASP QB 3.420 . 3.420 2.357 2.262 2.525 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 72 ASP H 1 73 HIS H 3.700 . 3.700 2.268 2.079 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 73 HIS HA 1 73 HIS HD2 5.310 . 5.310 4.874 4.829 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 73 HIS HA 1 74 PRO HD3 3.760 . 3.760 3.202 2.895 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 73 HIS HA 1 74 PRO HD2 3.530 . 3.530 2.344 2.240 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 73 HIS HA 1 75 THR H 5.500 . 5.500 3.014 2.973 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 73 HIS HA 1 78 ALA MB 4.410 . 4.410 2.345 2.166 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 73 HIS HA 1 79 LEU MD2 4.290 . 4.290 4.187 4.019 4.341 0.051 12 0 "[ . 1 . 2 . 3]" 1
1249 1 73 HIS HB3 1 73 HIS HD2 3.830 . 3.830 3.411 3.279 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 73 HIS HB2 1 73 HIS HD2 3.830 . 3.830 2.846 2.783 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 73 HIS QB 1 73 HIS HD2 3.180 . 3.180 2.710 2.675 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 73 HIS QB 1 78 ALA MB 3.620 . 3.620 2.131 2.059 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 73 HIS QB 1 79 LEU HA 3.280 . 3.280 2.864 2.610 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 73 HIS QB 1 79 LEU MD1 5.290 . 5.290 3.948 3.813 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 73 HIS QB 1 79 LEU MD2 4.300 . 4.300 2.074 1.985 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 73 HIS HD2 1 78 ALA MB 5.380 . 5.380 4.350 3.990 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 73 HIS HD2 1 79 LEU MD2 5.020 . 5.020 3.351 3.154 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 73 HIS H 1 74 PRO HD3 4.760 . 4.760 2.800 2.630 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 73 HIS H 1 79 LEU MD2 5.340 . 5.340 4.241 4.044 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 74 PRO HA 1 78 ALA MB 5.500 . 5.500 5.435 5.224 5.547 0.047 13 0 "[ . 1 . 2 . 3]" 1
1261 1 74 PRO HB3 1 75 THR H 4.300 . 4.300 4.457 4.382 4.498 0.198 28 0 "[ . 1 . 2 . 3]" 1
1262 1 74 PRO HB2 1 75 THR HA 4.580 . 4.580 4.473 4.425 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 74 PRO HD2 1 75 THR HG1 5.500 . 5.500 4.236 3.024 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 74 PRO HD2 1 75 THR MG 5.170 . 5.170 3.961 3.731 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 74 PRO HD2 1 75 THR H 4.760 . 4.760 2.913 2.684 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 74 PRO HD2 1 78 ALA MB 3.670 . 3.670 3.788 3.568 3.963 0.293 18 0 "[ . 1 . 2 . 3]" 1
1267 1 74 PRO HD2 1 79 LEU MD2 5.500 . 5.500 5.572 5.399 5.652 0.152 12 0 "[ . 1 . 2 . 3]" 1
1268 1 74 PRO HG2 1 75 THR HA 4.660 . 4.660 4.678 4.580 4.750 0.090 28 0 "[ . 1 . 2 . 3]" 1
1269 1 74 PRO HG2 1 75 THR MG 4.240 . 4.240 2.725 2.490 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 75 THR HA 1 76 ILE MD 5.280 . 5.280 4.735 3.129 5.326 0.046 28 0 "[ . 1 . 2 . 3]" 1
1271 1 75 THR HA 1 76 ILE MG 5.500 . 5.500 5.507 5.440 5.552 0.052 4 0 "[ . 1 . 2 . 3]" 1
1272 1 75 THR HA 1 77 ASP H 5.500 . 5.500 4.268 3.977 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 75 THR HA 1 78 ALA MB 5.500 . 5.500 4.833 4.613 5.024 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 75 THR HA 1 78 ALA H 5.250 . 5.250 4.863 4.680 5.088 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 75 THR HB 1 76 ILE H 3.560 . 3.560 2.658 2.396 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 75 THR HB 1 77 ASP H 4.040 . 4.040 2.725 2.607 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 75 THR HB 1 78 ALA H 5.390 . 5.390 3.297 2.826 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 75 THR HG1 1 77 ASP HB2 5.500 . 5.500 4.594 3.147 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 75 THR HG1 1 78 ALA MB 3.980 . 3.980 2.611 2.031 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 75 THR HG1 1 78 ALA H 5.500 . 5.500 2.688 1.937 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 75 THR MG 1 76 ILE H 4.620 . 4.620 3.520 3.325 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 75 THR MG 1 77 ASP HB2 5.500 . 5.500 4.934 4.261 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 75 THR H 1 75 THR HG1 4.440 . 4.440 2.834 1.583 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 75 THR H 1 75 THR MG 4.060 . 4.060 2.934 2.828 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 75 THR H 1 78 ALA MB 3.550 . 3.550 2.955 2.719 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 75 THR H 1 78 ALA H 5.500 . 5.500 4.175 4.050 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 76 ILE HA 1 76 ILE MD 4.330 . 4.330 3.255 2.049 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 76 ILE HA 1 76 ILE HG13 3.830 . 3.830 3.165 2.256 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 76 ILE HA 1 76 ILE HG12 3.830 . 3.830 2.654 2.322 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 76 ILE HA 1 76 ILE QG 3.220 . 3.220 2.491 2.232 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 76 ILE HA 1 76 ILE MG 3.450 . 3.450 2.404 2.233 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 76 ILE HA 1 79 LEU HB3 3.560 . 3.560 2.800 2.534 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 76 ILE HA 1 79 LEU HB2 4.250 . 4.250 2.851 2.374 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 76 ILE HA 1 79 LEU H 5.500 . 5.500 3.385 3.214 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 76 ILE HB 1 77 ASP HB2 4.760 . 4.760 4.580 4.385 4.924 0.164 7 0 "[ . 1 . 2 . 3]" 1
1296 1 76 ILE HB 1 77 ASP H 3.930 . 3.930 2.626 2.509 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 76 ILE MD 1 77 ASP H 5.500 . 5.500 4.583 4.090 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 76 ILE MD 1 76 ILE MG 2.470 . 2.470 1.957 1.845 3.201 0.731 23 1 "[ . 1 . 2 + . 3]" 1
1299 1 76 ILE MG 1 77 ASP HB2 5.120 . 5.120 4.782 4.086 5.325 0.205 29 0 "[ . 1 . 2 . 3]" 1
1300 1 76 ILE MG 1 77 ASP H 4.110 . 4.110 3.403 2.981 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 76 ILE H 1 76 ILE HB 3.360 . 3.360 2.476 2.207 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 76 ILE H 1 76 ILE MD 4.330 . 4.330 3.426 2.261 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 76 ILE H 1 76 ILE HG13 4.430 . 4.430 2.688 2.111 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 76 ILE H 1 76 ILE HG12 4.430 . 4.430 3.073 1.941 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 76 ILE H 1 76 ILE MG 4.150 . 4.150 3.759 3.612 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 77 ASP HB3 1 78 ALA HA 4.470 . 4.470 4.255 4.117 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 77 ASP HB2 1 78 ALA H 4.070 . 4.070 3.460 2.464 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 77 ASP H 1 77 ASP HB2 3.390 . 3.390 2.439 2.232 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 77 ASP H 1 78 ALA H 4.090 . 4.090 2.885 2.784 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 78 ALA HA 1 79 LEU HA 4.850 . 4.850 4.776 4.737 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 78 ALA HA 1 81 THR HB 3.840 . 3.840 2.776 2.475 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 78 ALA HA 1 81 THR HG1 4.060 . 4.060 3.327 2.640 4.070 0.010 29 0 "[ . 1 . 2 . 3]" 1
1313 1 78 ALA HA 1 81 THR H 4.820 . 4.820 3.592 3.489 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 78 ALA MB 1 79 LEU HB2 4.000 . 4.000 3.884 3.799 4.008 0.008 13 0 "[ . 1 . 2 . 3]" 1
1315 1 78 ALA MB 1 79 LEU H 4.250 . 4.250 2.417 2.357 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 78 ALA MB 1 81 THR HB 5.500 . 5.500 4.170 3.961 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 78 ALA MB 1 82 ALA H 5.500 . 5.500 4.603 4.464 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 78 ALA H 1 78 ALA MB 3.380 . 3.380 2.218 2.192 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 78 ALA H 1 79 LEU H 3.840 . 3.840 2.623 2.577 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 79 LEU HA 1 79 LEU MD1 2.730 . 2.730 2.229 2.190 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 79 LEU HA 1 79 LEU MD2 2.900 . 2.900 2.191 2.140 2.254 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 79 LEU HA 1 79 LEU HG 3.780 . 3.780 3.596 3.558 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 79 LEU HA 1 82 ALA H 5.500 . 5.500 3.528 3.403 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 79 LEU HB3 1 80 SER H 3.730 . 3.730 2.566 2.439 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 79 LEU HB3 1 81 THR H 5.500 . 5.500 5.062 4.936 5.157 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 79 LEU HB2 1 80 SER H 4.470 . 4.470 3.399 3.243 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 79 LEU MD1 1 80 SER H 4.170 . 4.170 3.743 3.523 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 79 LEU MD1 1 81 THR H 5.430 . 5.430 5.074 4.875 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 79 LEU MD1 1 82 ALA H 5.500 . 5.500 4.198 4.079 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 79 LEU MD2 1 82 ALA H 5.500 . 5.500 5.053 4.928 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 79 LEU H 1 79 LEU HB3 3.540 . 3.540 3.016 2.912 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 79 LEU H 1 79 LEU HB2 3.950 . 3.950 2.137 2.075 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 79 LEU H 1 79 LEU MD1 5.210 . 5.210 4.184 4.151 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 79 LEU H 1 79 LEU MD2 5.100 . 5.100 3.323 3.071 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 79 LEU H 1 80 SER H 3.700 . 3.700 2.763 2.702 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 80 SER HA 1 82 ALA MB 5.120 . 5.120 4.926 4.739 5.024 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 80 SER HB3 1 81 THR H 4.010 . 4.010 3.156 2.422 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 80 SER HB2 1 81 THR H 4.010 . 4.010 3.385 2.421 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 80 SER H 1 80 SER HB3 3.930 . 3.930 2.774 2.322 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 80 SER H 1 80 SER HB2 3.930 . 3.930 2.873 2.349 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 80 SER H 1 81 THR HA 5.500 . 5.500 5.326 5.283 5.365 . 0 0 "[ . 1 . 2 . 3]" 1
1342 1 80 SER H 1 81 THR H 3.930 . 3.930 2.721 2.670 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 80 SER H 1 82 ALA MB 4.860 . 4.860 4.857 4.763 4.924 0.064 29 0 "[ . 1 . 2 . 3]" 1
1344 1 81 THR HA 1 83 LEU H 4.990 . 4.990 4.519 4.394 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 81 THR HA 1 84 VAL HB 4.380 . 4.380 4.270 4.141 4.401 0.021 20 0 "[ . 1 . 2 . 3]" 1
1346 1 81 THR HA 1 84 VAL MG1 3.940 . 3.940 2.162 2.136 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 81 THR HA 1 85 ALA MB 4.630 . 4.630 4.477 4.295 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 81 THR HB 1 82 ALA MB 4.130 . 4.130 3.902 3.836 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 81 THR HB 1 82 ALA H 4.220 . 4.220 2.563 2.497 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 81 THR HB 1 84 VAL MG1 4.440 . 4.440 4.480 4.410 4.550 0.110 20 0 "[ . 1 . 2 . 3]" 1
1351 1 81 THR HG1 1 82 ALA H 4.350 . 4.350 4.190 3.984 4.356 0.006 13 0 "[ . 1 . 2 . 3]" 1
1352 1 81 THR MG 1 82 ALA HA 3.540 . 3.540 3.454 3.391 3.631 0.091 19 0 "[ . 1 . 2 . 3]" 1
1353 1 81 THR MG 1 84 VAL MG1 4.040 . 4.040 3.136 3.074 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 81 THR MG 1 85 ALA MB 3.270 . 3.270 3.338 3.058 3.425 0.155 18 0 "[ . 1 . 2 . 3]" 1
1355 1 81 THR H 1 81 THR HB 3.690 . 3.690 2.543 2.498 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 81 THR H 1 81 THR HG1 4.720 . 4.720 2.295 1.932 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 81 THR H 1 83 LEU H 4.460 . 4.460 4.144 4.059 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
1358 1 81 THR H 1 84 VAL MG1 4.730 . 4.730 4.110 4.053 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 82 ALA HA 1 85 ALA MB 3.130 . 3.130 2.442 2.243 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 82 ALA HA 1 85 ALA H 4.550 . 4.550 3.463 3.337 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 82 ALA MB 1 83 LEU H 3.520 . 3.520 2.563 2.507 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
1362 1 82 ALA H 1 82 ALA MB 3.120 . 3.120 2.230 2.199 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 82 ALA H 1 83 LEU HA 5.440 . 5.440 5.206 5.173 5.260 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 82 ALA H 1 83 LEU H 3.580 . 3.580 2.625 2.583 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 82 ALA H 1 85 ALA MB 5.500 . 5.500 4.442 4.324 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 83 LEU HA 1 83 LEU QD 2.840 . 2.840 2.213 1.935 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 83 LEU HA 1 83 LEU HG 2.980 . 2.980 2.512 2.340 3.568 0.588 20 3 "[ . 1- . * + . 3]" 1
1368 1 83 LEU HA 1 86 GLU HA 5.500 . 5.500 5.519 4.996 5.667 0.167 17 0 "[ . 1 . 2 . 3]" 1
1369 1 83 LEU HA 1 86 GLU QB 3.680 . 3.680 3.461 2.967 3.721 0.041 30 0 "[ . 1 . 2 . 3]" 1
1370 1 83 LEU HA 1 86 GLU HG3 5.250 . 5.250 3.326 2.304 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 83 LEU HA 1 86 GLU HG2 5.250 . 5.250 3.002 2.302 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 83 LEU HA 1 86 GLU QG 4.490 . 4.490 2.767 2.184 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 83 LEU HB3 1 83 LEU MD1 3.520 . 3.520 2.285 2.217 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 83 LEU HB3 1 83 LEU MD2 3.520 . 3.520 2.413 2.263 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 83 LEU HB3 1 84 VAL H 4.990 . 4.990 2.416 2.324 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 83 LEU HB2 1 83 LEU MD1 3.520 . 3.520 2.490 2.276 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 83 LEU HB2 1 83 LEU MD2 3.520 . 3.520 3.091 2.161 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 83 LEU HB2 1 84 VAL H 4.990 . 4.990 3.417 3.268 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 83 LEU QB 1 83 LEU QD 1.570 . 1.570 1.928 1.907 1.994 0.424 20 0 "[ . 1 . 2 . 3]" 1
1380 1 83 LEU QB 1 84 VAL H 4.220 . 4.220 2.368 2.287 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 83 LEU MD1 1 84 VAL H 5.500 . 5.500 4.262 3.462 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 83 LEU MD1 1 86 GLU HG3 5.740 . 5.740 5.235 2.861 6.289 0.549 25 1 "[ . 1 . 2 + 3]" 1
1383 1 83 LEU MD1 1 86 GLU HG2 5.740 . 5.740 5.351 2.245 6.406 0.666 24 1 "[ . 1 . 2 +. 3]" 1
1384 1 83 LEU MD2 1 84 VAL H 5.500 . 5.500 3.635 3.393 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
1385 1 83 LEU MD2 1 86 GLU HG3 4.740 . 4.740 3.193 2.586 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 83 LEU MD2 1 86 GLU HG2 4.740 . 4.740 3.329 2.191 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
1387 1 83 LEU QD 1 84 VAL HA 5.440 . 5.440 3.241 3.080 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 83 LEU QD 1 84 VAL H 4.540 . 4.540 3.384 3.255 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 83 LEU QD 1 86 GLU QB 2.730 . 2.730 2.896 2.705 3.175 0.445 17 0 "[ . 1 . 2 . 3]" 1
1390 1 83 LEU QD 1 86 GLU QG 2.700 . 2.700 2.689 2.140 2.985 0.285 4 0 "[ . 1 . 2 . 3]" 1
1391 1 83 LEU QD 1 86 GLU H 5.440 . 5.440 3.886 3.730 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 83 LEU H 1 83 LEU QB 3.440 . 3.440 2.101 2.051 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 83 LEU H 1 83 LEU MD1 5.190 . 5.190 4.188 4.055 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 83 LEU H 1 83 LEU MD2 5.190 . 5.190 4.084 3.459 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 83 LEU H 1 83 LEU QD 3.830 . 3.830 3.676 3.294 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 83 LEU H 1 83 LEU HG 4.460 . 4.460 4.081 3.827 4.508 0.048 17 0 "[ . 1 . 2 . 3]" 1
1397 1 83 LEU H 1 84 VAL MG1 4.130 . 4.130 3.793 3.667 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
1398 1 83 LEU H 1 84 VAL H 3.450 . 3.450 2.783 2.755 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 84 VAL HA 1 84 VAL MG1 3.670 . 3.670 3.189 3.179 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
1400 1 84 VAL HA 1 85 ALA HA 5.040 . 5.040 4.829 4.734 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 84 VAL HB 1 85 ALA H 4.150 . 4.150 3.993 3.933 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 84 VAL MG1 1 85 ALA HA 3.490 . 3.490 3.118 3.059 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 84 VAL MG1 1 85 ALA MB 3.670 . 3.670 3.059 2.927 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 84 VAL MG1 1 85 ALA H 4.270 . 4.270 2.177 2.097 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 84 VAL MG2 1 85 ALA HA 4.120 . 4.120 3.748 3.580 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 84 VAL MG2 1 88 ARG HA 5.500 . 5.500 5.139 2.904 5.597 0.097 25 0 "[ . 1 . 2 . 3]" 1
1407 1 84 VAL MG2 1 88 ARG HD3 5.500 . 5.500 4.168 2.549 5.346 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 84 VAL MG2 1 88 ARG HD2 5.500 . 5.500 4.279 2.477 5.632 0.132 28 0 "[ . 1 . 2 . 3]" 1
1409 1 84 VAL MG2 1 88 ARG QG 5.170 . 5.170 3.210 2.501 5.241 0.071 28 0 "[ . 1 . 2 . 3]" 1
1410 1 84 VAL H 1 84 VAL HB 3.400 . 3.400 2.505 2.450 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 84 VAL H 1 84 VAL MG1 3.320 . 3.320 2.021 1.906 2.113 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 84 VAL H 1 85 ALA MB 5.500 . 5.500 4.282 4.184 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
1413 1 84 VAL H 1 85 ALA H 3.770 . 3.770 2.617 2.496 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 85 ALA HA 1 87 LEU H 4.110 . 4.110 3.610 3.396 4.496 0.386 30 0 "[ . 1 . 2 . 3]" 1
1415 1 85 ALA HA 1 88 ARG HD3 5.500 . 5.500 4.195 2.209 5.545 0.045 18 0 "[ . 1 . 2 . 3]" 1
1416 1 85 ALA HA 1 88 ARG HD2 5.500 . 5.500 4.449 2.311 5.637 0.137 1 0 "[ . 1 . 2 . 3]" 1
1417 1 85 ALA HA 1 88 ARG QG 4.410 . 4.410 2.660 2.082 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
1418 1 85 ALA HA 1 88 ARG H 4.300 . 4.300 2.979 2.612 4.301 0.001 15 0 "[ . 1 . 2 . 3]" 1
1419 1 85 ALA HA 1 89 SER H 5.500 . 5.500 5.115 4.355 5.813 0.313 28 0 "[ . 1 . 2 . 3]" 1
1420 1 85 ALA MB 1 86 GLU QG 4.340 . 4.340 3.758 3.276 4.867 0.527 25 1 "[ . 1 . 2 + 3]" 1
1421 1 85 ALA MB 1 86 GLU H 3.780 . 3.780 2.600 2.442 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 85 ALA H 1 85 ALA MB 3.450 . 3.450 2.204 2.175 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 85 ALA H 1 86 GLU H 3.140 . 3.140 2.648 2.414 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 85 ALA H 1 87 LEU H 4.230 . 4.230 4.109 3.971 4.847 0.617 30 2 "[ . 1 - 2 . +]" 1
1425 1 85 ALA H 1 88 ARG QB 5.340 . 5.340 5.110 4.046 5.650 0.310 8 0 "[ . 1 . 2 . 3]" 1
1426 1 85 ALA H 1 88 ARG QG 5.340 . 5.340 4.736 4.127 5.754 0.414 29 0 "[ . 1 . 2 . 3]" 1
1427 1 86 GLU HA 1 86 GLU QG 3.290 . 3.290 2.977 2.447 3.449 0.159 26 0 "[ . 1 . 2 . 3]" 1
1428 1 86 GLU QB 1 87 LEU H 4.130 . 4.130 3.123 2.200 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 86 GLU QG 1 87 LEU H 5.340 . 5.340 3.666 2.303 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 86 GLU H 1 86 GLU HB3 3.960 . 3.960 3.229 2.136 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
1431 1 86 GLU H 1 86 GLU HB2 3.960 . 3.960 2.816 2.474 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
1432 1 86 GLU H 1 86 GLU QB 3.370 . 3.370 2.422 2.117 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 86 GLU H 1 86 GLU HG3 4.180 . 4.180 3.319 1.827 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 86 GLU H 1 86 GLU HG2 4.180 . 4.180 2.477 1.898 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 86 GLU H 1 86 GLU QG 3.390 . 3.390 2.217 1.811 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 87 LEU HA 1 87 LEU MD1 4.650 . 4.650 2.502 2.065 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 87 LEU HA 1 87 LEU MD2 4.650 . 4.650 3.389 2.123 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 87 LEU HA 1 87 LEU QD 4.020 . 4.020 2.209 1.943 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 87 LEU HA 1 87 LEU HG 3.930 . 3.930 2.850 2.349 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 87 LEU HB3 1 87 LEU MD1 3.200 . 3.200 3.004 2.307 3.220 0.020 14 0 "[ . 1 . 2 . 3]" 1
1441 1 87 LEU HB3 1 87 LEU MD2 3.200 . 3.200 2.367 2.171 3.217 0.017 1 0 "[ . 1 . 2 . 3]" 1
1442 1 87 LEU HB2 1 87 LEU MD1 3.200 . 3.200 2.333 2.174 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 87 LEU HB2 1 87 LEU MD2 3.200 . 3.200 2.549 2.263 3.202 0.002 21 0 "[ . 1 . 2 . 3]" 1
1444 1 87 LEU QB 1 87 LEU QD 1.560 . 1.560 1.913 1.882 2.005 0.445 1 0 "[ . 1 . 2 . 3]" 1
1445 1 87 LEU QB 1 88 ARG HA 5.340 . 5.340 4.158 3.870 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 87 LEU QB 1 88 ARG H 3.430 . 3.430 3.061 2.581 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 87 LEU MD1 1 88 ARG H 5.500 . 5.500 4.561 2.174 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
1448 1 87 LEU MD2 1 88 ARG H 5.500 . 5.500 4.795 3.407 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
1449 1 87 LEU QD 1 88 ARG H 4.780 . 4.780 4.127 2.150 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 87 LEU H 1 87 LEU HB3 3.640 . 3.640 2.900 2.481 3.705 0.065 29 0 "[ . 1 . 2 . 3]" 1
1451 1 87 LEU H 1 87 LEU HB2 3.640 . 3.640 2.640 2.303 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 87 LEU H 1 87 LEU QB 2.830 . 2.830 2.390 2.277 2.956 0.126 15 0 "[ . 1 . 2 . 3]" 1
1453 1 87 LEU H 1 87 LEU MD1 5.500 . 5.500 3.907 1.848 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 87 LEU H 1 87 LEU MD2 5.500 . 5.500 4.187 2.176 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 87 LEU H 1 87 LEU QD 4.600 . 4.600 3.528 1.846 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 87 LEU H 1 87 LEU HG 5.500 . 5.500 4.156 1.733 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 88 ARG HA 1 88 ARG HD3 5.480 . 5.480 3.870 2.236 5.097 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 88 ARG HA 1 88 ARG HD2 5.480 . 5.480 3.767 2.228 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 88 ARG HA 1 88 ARG QD 4.670 . 4.670 3.271 2.175 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
1460 1 88 ARG HA 1 88 ARG QG 3.580 . 3.580 2.552 2.246 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 88 ARG HB3 1 89 SER H 5.090 . 5.090 3.037 1.698 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
1462 1 88 ARG HB2 1 89 SER H 5.090 . 5.090 3.068 1.961 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 88 ARG QB 1 89 SER H 4.410 . 4.410 2.560 1.672 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 88 ARG H 1 88 ARG QB 3.400 . 3.400 2.382 2.187 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
1465 1 88 ARG H 1 88 ARG HD3 5.500 . 5.500 4.620 3.821 5.897 0.397 15 0 "[ . 1 . 2 . 3]" 1
1466 1 88 ARG H 1 88 ARG HD2 5.500 . 5.500 4.708 3.915 5.523 0.023 1 0 "[ . 1 . 2 . 3]" 1
1467 1 88 ARG H 1 88 ARG QD 4.840 . 4.840 4.087 3.631 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 88 ARG H 1 88 ARG HG3 4.440 . 4.440 3.369 2.336 4.865 0.425 30 0 "[ . 1 . 2 . 3]" 1
1469 1 88 ARG H 1 88 ARG HG2 4.440 . 4.440 3.180 2.249 4.617 0.177 29 0 "[ . 1 . 2 . 3]" 1
1470 1 89 SER HB3 1 90 ALA H 5.500 . 5.500 3.522 1.887 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 89 SER HB2 1 90 ALA H 5.500 . 5.500 3.602 1.839 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 89 SER H 1 89 SER QB 3.700 . 3.700 2.700 2.194 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 89 SER H 1 90 ALA HA 5.500 . 5.500 4.915 3.875 5.588 0.088 8 0 "[ . 1 . 2 . 3]" 1
1474 1 90 ALA H 1 90 ALA MB 3.560 . 3.560 2.594 2.210 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 904
_Distance_constraint_stats_list.Viol_total 3719.974
_Distance_constraint_stats_list.Viol_max 0.462
_Distance_constraint_stats_list.Viol_rms 0.0995
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0689
_Distance_constraint_stats_list.Viol_average_violations_only 0.1372
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 12 LEU 1.727 0.195 26 0 "[ . 1 . 2 . 3]"
1 13 ASP 8.871 0.243 29 0 "[ . 1 . 2 . 3]"
1 14 SER 14.725 0.382 29 0 "[ . 1 . 2 . 3]"
1 15 LEU 0.629 0.085 23 0 "[ . 1 . 2 . 3]"
1 16 ARG 13.750 0.279 10 0 "[ . 1 . 2 . 3]"
1 17 VAL 8.871 0.243 29 0 "[ . 1 . 2 . 3]"
1 18 TRP 14.756 0.382 29 0 "[ . 1 . 2 . 3]"
1 19 LEU 8.584 0.302 24 0 "[ . 1 . 2 . 3]"
1 20 VAL 12.744 0.279 10 0 "[ . 1 . 2 . 3]"
1 21 ASP 3.960 0.212 13 0 "[ . 1 . 2 . 3]"
1 22 CYS 0.433 0.189 13 0 "[ . 1 . 2 . 3]"
1 23 VAL 7.956 0.302 24 0 "[ . 1 . 2 . 3]"
1 24 ALA 0.721 0.105 8 0 "[ . 1 . 2 . 3]"
1 25 GLY 3.960 0.212 13 0 "[ . 1 . 2 . 3]"
1 26 HIS 0.402 0.189 13 0 "[ . 1 . 2 . 3]"
1 30 ASP 1.530 0.203 28 0 "[ . 1 . 2 . 3]"
1 31 ALA 15.653 0.381 21 0 "[ . 1 . 2 . 3]"
1 33 THR 1.530 0.203 28 0 "[ . 1 . 2 . 3]"
1 34 ILE 15.653 0.381 21 0 "[ . 1 . 2 . 3]"
1 40 LEU 2.345 0.190 21 0 "[ . 1 . 2 . 3]"
1 42 SER 2.345 0.190 21 0 "[ . 1 . 2 . 3]"
1 49 TYR 0.095 0.071 20 0 "[ . 1 . 2 . 3]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 LEU 7.429 0.346 28 0 "[ . 1 . 2 . 3]"
1 52 SER 1.555 0.175 27 0 "[ . 1 . 2 . 3]"
1 53 ILE 0.095 0.071 20 0 "[ . 1 . 2 . 3]"
1 54 ALA 4.653 0.260 21 0 "[ . 1 . 2 . 3]"
1 55 ALA 8.679 0.346 28 0 "[ . 1 . 2 . 3]"
1 56 GLU 11.281 0.435 10 0 "[ . 1 . 2 . 3]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 GLU 4.653 0.260 21 0 "[ . 1 . 2 . 3]"
1 59 ASP 1.250 0.212 13 0 "[ . 1 . 2 . 3]"
1 60 HIS 9.726 0.435 10 0 "[ . 1 . 2 . 3]"
1 67 PRO 0.614 0.115 20 0 "[ . 1 . 2 . 3]"
1 69 LEU 0.614 0.115 20 0 "[ . 1 . 2 . 3]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 77 ASP 4.136 0.140 17 0 "[ . 1 . 2 . 3]"
1 78 ALA 1.135 0.119 19 0 "[ . 1 . 2 . 3]"
1 79 LEU 0.126 0.089 22 0 "[ . 1 . 2 . 3]"
1 80 SER 0.016 0.016 15 0 "[ . 1 . 2 . 3]"
1 81 THR 12.071 0.295 29 0 "[ . 1 . 2 . 3]"
1 82 ALA 15.892 0.462 27 0 "[ . 1 . 2 . 3]"
1 83 LEU 0.126 0.089 22 0 "[ . 1 . 2 . 3]"
1 84 VAL 0.016 0.016 15 0 "[ . 1 . 2 . 3]"
1 85 ALA 7.935 0.295 29 0 "[ . 1 . 2 . 3]"
1 86 GLU 14.757 0.462 27 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 LEU O 1 16 ARG H 2.000 . 2.000 2.041 1.846 2.195 0.195 26 0 "[ . 1 . 2 . 3]" 2
2 1 12 LEU O 1 16 ARG N 3.000 . 3.000 2.870 2.659 3.065 0.065 26 0 "[ . 1 . 2 . 3]" 2
3 1 13 ASP O 1 17 VAL H 2.000 . 2.000 2.182 2.097 2.243 0.243 29 0 "[ . 1 . 2 . 3]" 2
4 1 13 ASP O 1 17 VAL N 3.000 . 3.000 3.114 3.034 3.164 0.164 29 0 "[ . 1 . 2 . 3]" 2
5 1 14 SER O 1 18 TRP H 2.000 . 2.000 2.338 2.254 2.382 0.382 29 0 "[ . 1 . 2 . 3]" 2
6 1 14 SER O 1 18 TRP N 3.000 . 3.000 3.153 3.051 3.245 0.245 24 0 "[ . 1 . 2 . 3]" 2
7 1 15 LEU O 1 19 LEU H 2.000 . 2.000 2.010 1.909 2.085 0.085 23 0 "[ . 1 . 2 . 3]" 2
8 1 15 LEU O 1 19 LEU N 3.000 . 3.000 2.929 2.838 2.980 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 16 ARG O 1 20 VAL H 2.000 . 2.000 2.217 2.128 2.279 0.279 10 0 "[ . 1 . 2 . 3]" 2
10 1 16 ARG O 1 20 VAL N 3.000 . 3.000 3.184 3.078 3.251 0.251 10 0 "[ . 1 . 2 . 3]" 2
11 1 17 VAL O 1 21 ASP H 2.000 . 2.000 1.812 1.709 1.902 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 17 VAL O 1 21 ASP N 3.000 . 3.000 2.716 2.619 2.815 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 18 TRP O 1 22 CYS H 2.000 . 2.000 1.795 1.645 2.032 0.032 13 0 "[ . 1 . 2 . 3]" 2
14 1 18 TRP O 1 22 CYS N 3.000 . 3.000 2.606 2.489 2.757 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 19 LEU O 1 23 VAL H 2.000 . 2.000 2.159 1.930 2.302 0.302 24 0 "[ . 1 . 2 . 3]" 2
16 1 19 LEU O 1 23 VAL N 3.000 . 3.000 3.100 2.888 3.197 0.197 24 0 "[ . 1 . 2 . 3]" 2
17 1 20 VAL O 1 24 ALA H 2.000 . 2.000 2.002 1.906 2.105 0.105 8 0 "[ . 1 . 2 . 3]" 2
18 1 20 VAL O 1 24 ALA N 3.000 . 3.000 2.977 2.877 3.076 0.076 8 0 "[ . 1 . 2 . 3]" 2
19 1 21 ASP O 1 25 GLY H 2.000 . 2.000 2.082 2.028 2.212 0.212 13 0 "[ . 1 . 2 . 3]" 2
20 1 21 ASP O 1 25 GLY N 3.000 . 3.000 3.050 3.002 3.166 0.166 13 0 "[ . 1 . 2 . 3]" 2
21 1 22 CYS O 1 26 HIS H 2.000 . 2.000 1.974 1.825 2.189 0.189 13 0 "[ . 1 . 2 . 3]" 2
22 1 22 CYS O 1 26 HIS N 3.000 . 3.000 2.910 2.775 3.053 0.053 13 0 "[ . 1 . 2 . 3]" 2
23 1 30 ASP O 1 33 THR H 2.000 . 2.000 2.039 1.765 2.203 0.203 28 0 "[ . 1 . 2 . 3]" 2
24 1 30 ASP O 1 33 THR N 3.000 . 3.000 2.916 2.665 3.021 0.021 5 0 "[ . 1 . 2 . 3]" 2
25 1 31 ALA O 1 34 ILE H 2.000 . 2.000 2.304 2.224 2.381 0.381 21 0 "[ . 1 . 2 . 3]" 2
26 1 31 ALA O 1 34 ILE N 3.000 . 3.000 3.218 3.165 3.284 0.284 29 0 "[ . 1 . 2 . 3]" 2
27 1 40 LEU O 1 42 SER H 3.000 . 3.000 3.053 2.776 3.190 0.190 21 0 "[ . 1 . 2 . 3]" 2
28 1 40 LEU O 1 42 SER N 3.000 . 3.000 2.983 2.894 3.055 0.055 13 0 "[ . 1 . 2 . 3]" 2
29 1 49 TYR O 1 53 ILE H 2.000 . 2.000 1.759 1.513 2.071 0.071 20 0 "[ . 1 . 2 . 3]" 2
30 1 49 TYR O 1 53 ILE N 3.000 . 3.000 2.707 2.429 3.024 0.024 20 0 "[ . 1 . 2 . 3]" 2
31 1 50 ALA O 1 54 ALA H 2.000 . 2.000 1.746 1.609 1.984 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 50 ALA O 1 54 ALA N 3.000 . 3.000 2.551 2.380 2.796 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 51 LEU O 1 55 ALA H 2.000 . 2.000 2.207 2.002 2.346 0.346 28 0 "[ . 1 . 2 . 3]" 2
34 1 51 LEU O 1 55 ALA N 3.000 . 3.000 3.038 2.920 3.143 0.143 28 0 "[ . 1 . 2 . 3]" 2
35 1 52 SER O 1 56 GLU H 2.000 . 2.000 2.005 1.786 2.175 0.175 27 0 "[ . 1 . 2 . 3]" 2
36 1 52 SER O 1 56 GLU N 3.000 . 3.000 2.906 2.678 3.122 0.122 6 0 "[ . 1 . 2 . 3]" 2
37 1 53 ILE O 1 57 LEU H 2.000 . 2.000 1.830 1.700 1.960 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 53 ILE O 1 57 LEU N 3.000 . 3.000 2.802 2.682 2.937 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 54 ALA O 1 58 GLU H 2.000 . 2.000 2.096 1.911 2.260 0.260 21 0 "[ . 1 . 2 . 3]" 2
40 1 54 ALA O 1 58 GLU N 3.000 . 3.000 3.034 2.882 3.175 0.175 21 0 "[ . 1 . 2 . 3]" 2
41 1 55 ALA O 1 59 ASP H 2.000 . 2.000 1.990 1.596 2.212 0.212 13 0 "[ . 1 . 2 . 3]" 2
42 1 55 ALA O 1 59 ASP N 3.000 . 3.000 2.824 2.486 2.997 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 56 GLU O 1 60 HIS H 2.000 . 2.000 2.280 2.032 2.435 0.435 10 0 "[ . 1 . 2 . 3]" 2
44 1 56 GLU O 1 60 HIS N 3.000 . 3.000 3.018 2.869 3.129 0.129 20 0 "[ . 1 . 2 . 3]" 2
45 1 67 PRO O 1 69 LEU H 3.000 . 3.000 2.812 2.604 2.943 . 0 0 "[ . 1 . 2 . 3]" 2
46 1 67 PRO O 1 69 LEU N 3.000 . 3.000 2.983 2.831 3.115 0.115 20 0 "[ . 1 . 2 . 3]" 2
47 1 76 ILE O 1 80 SER H 2.000 . 2.000 1.600 1.524 1.676 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 76 ILE O 1 80 SER N 3.000 . 3.000 2.555 2.476 2.642 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 77 ASP O 1 81 THR H 2.000 . 2.000 2.098 2.020 2.140 0.140 17 0 "[ . 1 . 2 . 3]" 2
50 1 77 ASP O 1 81 THR N 3.000 . 3.000 3.034 2.937 3.076 0.076 17 0 "[ . 1 . 2 . 3]" 2
51 1 78 ALA O 1 82 ALA H 2.000 . 2.000 2.011 1.900 2.119 0.119 19 0 "[ . 1 . 2 . 3]" 2
52 1 78 ALA O 1 82 ALA N 3.000 . 3.000 2.938 2.822 3.034 0.034 19 0 "[ . 1 . 2 . 3]" 2
53 1 79 LEU O 1 83 LEU H 2.000 . 2.000 1.847 1.711 2.089 0.089 22 0 "[ . 1 . 2 . 3]" 2
54 1 79 LEU O 1 83 LEU N 3.000 . 3.000 2.763 2.625 3.013 0.013 22 0 "[ . 1 . 2 . 3]" 2
55 1 80 SER O 1 84 VAL H 2.000 . 2.000 1.881 1.798 2.016 0.016 15 0 "[ . 1 . 2 . 3]" 2
56 1 80 SER O 1 84 VAL N 3.000 . 3.000 2.857 2.776 2.983 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 81 THR O 1 85 ALA H 2.000 . 2.000 2.224 2.159 2.295 0.295 29 0 "[ . 1 . 2 . 3]" 2
58 1 81 THR O 1 85 ALA N 3.000 . 3.000 3.037 2.939 3.093 0.093 18 0 "[ . 1 . 2 . 3]" 2
59 1 82 ALA O 1 86 GLU H 2.000 . 2.000 2.331 2.181 2.462 0.462 27 0 "[ . 1 . 2 . 3]" 2
60 1 82 ALA O 1 86 GLU N 3.000 . 3.000 3.154 2.853 3.244 0.244 27 0 "[ . 1 . 2 . 3]" 2
stop_
save_