NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403788 |
1wot   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wot
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 1354
_Distance_constraint_stats_list.Viol_count 1779
_Distance_constraint_stats_list.Viol_total 4395.694
_Distance_constraint_stats_list.Viol_max 1.644
_Distance_constraint_stats_list.Viol_rms 0.0554
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.1235
_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 4 MET 10.329 0.744 6 7 "[ * .+ * ** * - 2]"
1 5 ASP 0.118 0.051 18 0 "[ . 1 . 2]"
1 6 LEU 3.290 0.603 16 1 "[ . 1 .+ 2]"
1 7 GLU 3.180 0.364 20 0 "[ . 1 . 2]"
1 8 THR 2.060 0.153 16 0 "[ . 1 . 2]"
1 9 LEU 4.298 0.603 16 1 "[ . 1 .+ 2]"
1 10 ARG 5.488 0.394 12 0 "[ . 1 . 2]"
1 11 ALA 7.244 0.394 12 0 "[ . 1 . 2]"
1 12 ARG 2.128 0.200 20 0 "[ . 1 . 2]"
1 13 ARG 25.066 1.644 5 13 "[-* *+** ** **.* **2]"
1 14 GLU 6.616 0.535 4 2 "[ +- 1 . 2]"
1 15 ALA 1.651 0.535 4 1 "[ +. 1 . 2]"
1 16 VAL 4.029 0.456 6 0 "[ . 1 . 2]"
1 17 LEU 20.410 1.644 5 13 "[-* *+** ** **.* **2]"
1 18 SER 1.257 0.242 5 0 "[ . 1 . 2]"
1 19 LEU 14.401 0.456 6 0 "[ . 1 . 2]"
1 20 CYS 9.934 0.436 20 0 "[ . 1 . 2]"
1 21 ALA 3.726 0.243 15 0 "[ . 1 . 2]"
1 22 ARG 1.375 0.467 17 0 "[ . 1 . 2]"
1 23 HIS 4.934 0.650 2 2 "[ + . - 1 . 2]"
1 24 GLY 0.015 0.015 5 0 "[ . 1 . 2]"
1 25 ALA 1.574 0.243 15 0 "[ . 1 . 2]"
1 26 VAL 1.061 0.169 18 0 "[ . 1 . 2]"
1 27 ARG 0.376 0.169 18 0 "[ . 1 . 2]"
1 28 VAL 0.516 0.146 20 0 "[ . 1 . 2]"
1 29 ARG 10.029 0.948 2 7 "[ + .* * 1 * * *-2]"
1 30 VAL 0.662 0.324 12 0 "[ . 1 . 2]"
1 31 PHE 1.660 0.237 5 0 "[ . 1 . 2]"
1 32 GLY 1.323 0.375 12 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.603 0.084 7 0 "[ . 1 . 2]"
1 35 ALA 0.550 0.083 7 0 "[ . 1 . 2]"
1 36 ARG 4.308 0.763 19 5 "[ **. *1 . - +2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 10.504 0.866 7 8 "[ * **+* 1 *- * 2]"
1 39 ALA 4.073 0.838 17 2 "[ . - 1 . + 2]"
1 40 ARG 6.710 0.937 9 6 "[ - * +1 * .* *2]"
1 41 GLU 1.642 0.238 16 0 "[ . 1 . 2]"
1 42 ASP 2.031 0.261 14 0 "[ . 1 . 2]"
1 43 SER 6.358 0.937 9 4 "[ . -+1 .** 2]"
1 44 ASP 1.609 0.679 8 2 "[ -. + 1 . 2]"
1 45 LEU 0.235 0.072 16 0 "[ . 1 . 2]"
1 46 ASP 1.886 0.375 12 0 "[ . 1 . 2]"
1 47 LEU 0.120 0.081 8 0 "[ . 1 . 2]"
1 48 LEU 0.106 0.098 15 0 "[ . 1 . 2]"
1 49 VAL 2.603 0.181 10 0 "[ . 1 . 2]"
1 50 ALA 0.493 0.146 20 0 "[ . 1 . 2]"
1 51 PHE 3.005 0.338 19 0 "[ . 1 . 2]"
1 52 GLU 0.782 0.167 7 0 "[ . 1 . 2]"
1 53 GLU 2.694 0.716 20 2 "[ .- 1 . +]"
1 54 GLY 1.804 0.716 20 1 "[ . 1 . +]"
1 55 ARG 5.687 0.734 4 1 "[ +. 1 . 2]"
1 56 THR 0.128 0.128 19 0 "[ . 1 . 2]"
1 57 LEU 0.285 0.072 19 0 "[ . 1 . 2]"
1 58 LEU 0.406 0.186 19 0 "[ . 1 . 2]"
1 59 ASP 1.402 0.734 4 1 "[ +. 1 . 2]"
1 60 HIS 0.950 0.312 5 0 "[ . 1 . 2]"
1 61 ALA 1.357 0.312 5 0 "[ . 1 . 2]"
1 62 ARG 12.904 0.927 14 6 "[* . - +. ***2]"
1 63 LEU 6.020 0.650 2 2 "[ + . - 1 . 2]"
1 64 LYS 15.291 0.508 19 1 "[ . 1 . +2]"
1 65 LEU 16.339 0.927 14 6 "[* . * +. **-2]"
1 66 ALA 1.111 0.348 19 0 "[ . 1 . 2]"
1 67 LEU 0.726 0.091 15 0 "[ . 1 . 2]"
1 68 GLU 2.059 0.205 12 0 "[ . 1 . 2]"
1 69 GLY 9.836 0.399 18 0 "[ . 1 . 2]"
1 70 LEU 8.030 0.399 18 0 "[ . 1 . 2]"
1 71 LEU 2.177 0.232 8 0 "[ . 1 . 2]"
1 72 GLY 1.619 0.137 7 0 "[ . 1 . 2]"
1 73 VAL 2.860 0.137 7 0 "[ . 1 . 2]"
1 74 ARG 2.078 0.564 4 1 "[ +. 1 . 2]"
1 75 VAL 0.106 0.032 11 0 "[ . 1 . 2]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 1.823 0.225 5 0 "[ . 1 . 2]"
1 78 VAL 1.527 0.180 15 0 "[ . 1 . 2]"
1 79 SER 2.584 0.181 10 0 "[ . 1 . 2]"
1 80 GLU 0.955 0.127 8 0 "[ . 1 . 2]"
1 81 ARG 6.718 0.718 14 3 "[ .- * +. 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 1.899 0.180 15 0 "[ . 1 . 2]"
1 84 ALA 0.868 0.092 17 0 "[ . 1 . 2]"
1 85 PRO 1.091 0.092 17 0 "[ . 1 . 2]"
1 86 ARG 0.462 0.029 8 0 "[ . 1 . 2]"
1 87 LEU 0.325 0.044 4 0 "[ . 1 . 2]"
1 88 ARG 2.902 0.165 12 0 "[ . 1 . 2]"
1 89 GLU 2.973 0.395 3 0 "[ . 1 . 2]"
1 90 GLN 8.084 0.524 18 1 "[ . 1 . + 2]"
1 91 VAL 1.446 0.160 8 0 "[ . 1 . 2]"
1 92 LEU 3.383 0.361 18 0 "[ . 1 . 2]"
1 93 ARG 11.962 0.876 13 3 "[ . 1* + . - 2]"
1 94 GLU 2.047 0.460 2 0 "[ . 1 . 2]"
1 95 ALA 4.963 0.598 15 4 "[ . * 1 + *-2]"
1 96 ILE 1.344 0.195 16 0 "[ . 1 . 2]"
1 97 PRO 3.578 0.666 12 1 "[ . 1 + . 2]"
1 98 LEU 3.773 0.948 2 2 "[ + .- 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET H 1 4 MET HB2 . . 3.270 3.310 2.373 4.014 0.744 6 7 "[ * .+ * ** * - 2]" 1
2 1 4 MET H 1 5 ASP H . . 5.020 3.990 3.208 4.576 . 0 0 "[ . 1 . 2]" 1
3 1 4 MET HA 1 4 MET ME . . 3.690 3.113 1.992 3.914 0.224 3 0 "[ . 1 . 2]" 1
4 1 4 MET HA 1 5 ASP H . . 3.030 2.344 2.204 2.786 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET HA 1 8 THR HB . . 4.140 3.794 2.943 4.264 0.124 9 0 "[ . 1 . 2]" 1
6 1 4 MET HA 1 73 VAL MG1 . . 4.650 4.670 4.481 4.750 0.100 6 0 "[ . 1 . 2]" 1
7 1 4 MET HB2 1 73 VAL MG2 . . 4.140 3.602 3.100 4.125 . 0 0 "[ . 1 . 2]" 1
8 1 4 MET HB3 1 4 MET ME . . 3.820 3.181 1.955 4.047 0.227 20 0 "[ . 1 . 2]" 1
9 1 4 MET HB3 1 4 MET QG . . 2.790 2.323 2.205 2.565 . 0 0 "[ . 1 . 2]" 1
10 1 4 MET HB3 1 5 ASP H . . 4.880 4.119 1.917 4.635 . 0 0 "[ . 1 . 2]" 1
11 1 4 MET HB3 1 9 LEU QD . . 4.350 3.770 2.059 4.765 0.415 16 0 "[ . 1 . 2]" 1
12 1 4 MET HB3 1 73 VAL MG1 . . 4.880 3.585 2.488 4.979 0.099 19 0 "[ . 1 . 2]" 1
13 1 4 MET HB3 1 73 VAL MG2 . . 4.240 4.027 3.046 4.339 0.099 13 0 "[ . 1 . 2]" 1
14 1 4 MET ME 1 8 THR HB . . 4.650 4.608 3.912 4.803 0.153 16 0 "[ . 1 . 2]" 1
15 1 4 MET ME 1 8 THR MG . . 3.360 3.190 1.901 3.447 0.087 14 0 "[ . 1 . 2]" 1
16 1 4 MET ME 1 9 LEU HA . . 4.350 3.492 2.380 4.175 . 0 0 "[ . 1 . 2]" 1
17 1 4 MET ME 1 9 LEU QD . . 3.150 1.775 1.530 3.008 . 0 0 "[ . 1 . 2]" 1
18 1 4 MET ME 1 71 LEU HA . . 4.240 3.026 1.944 4.267 0.027 18 0 "[ . 1 . 2]" 1
19 1 4 MET ME 1 71 LEU HB3 . . 3.770 2.522 1.939 3.845 0.075 13 0 "[ . 1 . 2]" 1
20 1 4 MET ME 1 71 LEU QD . . 3.590 2.329 1.628 3.507 . 0 0 "[ . 1 . 2]" 1
21 1 4 MET ME 1 73 VAL MG2 . . 3.470 2.413 1.840 3.440 . 0 0 "[ . 1 . 2]" 1
22 1 4 MET QG 1 5 ASP H . . 4.170 3.171 2.333 4.101 . 0 0 "[ . 1 . 2]" 1
23 1 4 MET QG 1 8 THR MG . . 4.880 4.140 3.500 4.733 . 0 0 "[ . 1 . 2]" 1
24 1 4 MET QG 1 9 LEU QD . . 4.350 2.427 1.611 3.789 . 0 0 "[ . 1 . 2]" 1
25 1 4 MET QG 1 73 VAL MG1 . . 4.880 3.578 1.971 4.391 . 0 0 "[ . 1 . 2]" 1
26 1 4 MET QG 1 73 VAL MG2 . . 4.880 3.454 2.009 4.333 . 0 0 "[ . 1 . 2]" 1
27 1 5 ASP H 1 8 THR H . . 4.410 3.604 3.385 3.927 . 0 0 "[ . 1 . 2]" 1
28 1 5 ASP H 1 8 THR HB . . 3.500 2.289 1.901 2.896 . 0 0 "[ . 1 . 2]" 1
29 1 5 ASP H 1 8 THR MG . . 4.280 2.870 2.502 3.336 . 0 0 "[ . 1 . 2]" 1
30 1 5 ASP H 1 9 LEU QD . . 4.880 2.925 2.307 3.317 . 0 0 "[ . 1 . 2]" 1
31 1 5 ASP HA 1 6 LEU H . . 3.520 2.517 2.367 2.759 . 0 0 "[ . 1 . 2]" 1
32 1 5 ASP HA 1 9 LEU QD . . 3.620 3.422 3.137 3.622 0.002 16 0 "[ . 1 . 2]" 1
33 1 5 ASP HB2 1 6 LEU H . . 3.840 3.573 2.824 3.884 0.044 18 0 "[ . 1 . 2]" 1
34 1 5 ASP HB2 1 8 THR H . . 4.880 2.427 1.923 4.166 . 0 0 "[ . 1 . 2]" 1
35 1 5 ASP HB3 1 6 LEU H . . 3.290 2.609 1.939 3.341 0.051 18 0 "[ . 1 . 2]" 1
36 1 5 ASP HB3 1 6 LEU HB2 . . 5.220 4.251 3.694 5.026 . 0 0 "[ . 1 . 2]" 1
37 1 5 ASP HB3 1 7 GLU H . . 4.270 2.988 2.477 3.950 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU H 1 6 LEU HB2 . . 3.280 2.123 2.061 2.183 . 0 0 "[ . 1 . 2]" 1
39 1 6 LEU H 1 6 LEU HB3 . . 3.500 3.428 3.379 3.466 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU H 1 9 LEU QD . . 3.860 3.445 3.219 3.776 . 0 0 "[ . 1 . 2]" 1
41 1 6 LEU HA 1 6 LEU QD . . 3.130 2.227 1.895 2.910 . 0 0 "[ . 1 . 2]" 1
42 1 6 LEU HA 1 9 LEU H . . 4.240 3.203 2.997 3.470 . 0 0 "[ . 1 . 2]" 1
43 1 6 LEU HA 1 9 LEU HB3 . . 3.690 3.689 3.339 4.293 0.603 16 1 "[ . 1 .+ 2]" 1
44 1 6 LEU HA 1 9 LEU QD . . 3.590 2.006 1.885 2.423 . 0 0 "[ . 1 . 2]" 1
45 1 6 LEU HB2 1 6 LEU QD . . 3.170 2.353 2.102 2.494 . 0 0 "[ . 1 . 2]" 1
46 1 6 LEU HB2 1 7 GLU H . . 3.850 2.843 2.775 2.918 . 0 0 "[ . 1 . 2]" 1
47 1 6 LEU HB2 1 7 GLU HA . . 4.650 4.706 4.588 4.825 0.175 8 0 "[ . 1 . 2]" 1
48 1 6 LEU HB3 1 6 LEU QD . . 3.150 2.115 1.932 2.286 . 0 0 "[ . 1 . 2]" 1
49 1 6 LEU HB3 1 7 GLU H . . 3.700 3.298 3.142 3.414 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU HB3 1 7 GLU HA . . 4.650 4.057 3.957 4.137 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU HB3 1 9 LEU QD . . 4.480 4.269 3.958 4.543 0.063 14 0 "[ . 1 . 2]" 1
52 1 6 LEU QD 1 7 GLU H . . 4.500 3.975 3.900 4.096 . 0 0 "[ . 1 . 2]" 1
53 1 6 LEU QD 1 10 ARG QD . . 4.140 3.799 3.004 4.040 . 0 0 "[ . 1 . 2]" 1
54 1 6 LEU QD 1 10 ARG HE . . 5.070 4.391 2.757 5.013 . 0 0 "[ . 1 . 2]" 1
55 1 6 LEU QD 1 37 GLY H . . 5.220 3.789 3.036 4.437 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLU H 1 7 GLU HB2 . . 3.360 2.551 2.050 3.550 0.190 4 0 "[ . 1 . 2]" 1
57 1 7 GLU H 1 7 GLU HG2 . . 3.730 3.246 1.957 4.094 0.364 20 0 "[ . 1 . 2]" 1
58 1 7 GLU HA 1 10 ARG H . . 4.060 3.623 3.418 3.882 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLU HA 1 10 ARG QD . . 4.140 3.847 1.895 4.082 . 0 0 "[ . 1 . 2]" 1
60 1 7 GLU HA 1 10 ARG HG2 . . 3.770 3.083 2.100 3.846 0.076 12 0 "[ . 1 . 2]" 1
61 1 7 GLU HA 1 10 ARG HG3 . . 4.650 2.721 1.942 4.193 . 0 0 "[ . 1 . 2]" 1
62 1 8 THR H 1 8 THR HB . . 3.400 2.081 1.976 2.290 . 0 0 "[ . 1 . 2]" 1
63 1 8 THR H 1 8 THR MG . . 4.110 3.557 3.372 3.677 . 0 0 "[ . 1 . 2]" 1
64 1 8 THR H 1 9 LEU H . . 3.470 2.533 2.399 2.662 . 0 0 "[ . 1 . 2]" 1
65 1 8 THR HA 1 8 THR MG . . 3.140 2.663 2.382 2.868 . 0 0 "[ . 1 . 2]" 1
66 1 8 THR HA 1 11 ALA H . . 3.930 3.037 2.873 3.241 . 0 0 "[ . 1 . 2]" 1
67 1 8 THR HA 1 11 ALA MB . . 3.310 2.344 1.927 2.638 . 0 0 "[ . 1 . 2]" 1
68 1 8 THR HB 1 9 LEU H . . 3.650 3.074 2.954 3.252 . 0 0 "[ . 1 . 2]" 1
69 1 8 THR HB 1 11 ALA MB . . 4.880 4.790 4.488 4.925 0.045 16 0 "[ . 1 . 2]" 1
70 1 8 THR MG 1 9 LEU H . . 4.240 3.254 2.747 3.737 . 0 0 "[ . 1 . 2]" 1
71 1 8 THR MG 1 9 LEU HA . . 4.650 3.259 2.899 3.782 . 0 0 "[ . 1 . 2]" 1
72 1 8 THR MG 1 11 ALA H . . 5.120 4.295 3.934 4.531 . 0 0 "[ . 1 . 2]" 1
73 1 8 THR MG 1 12 ARG QD . . 4.350 3.759 2.439 4.307 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU H 1 9 LEU HB2 . . 3.730 2.100 2.011 2.269 . 0 0 "[ . 1 . 2]" 1
75 1 9 LEU H 1 9 LEU HB3 . . 3.350 3.408 3.310 3.499 0.149 16 0 "[ . 1 . 2]" 1
76 1 9 LEU H 1 9 LEU QD . . 4.140 2.569 2.232 3.057 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU H 1 10 ARG H . . 3.620 2.735 2.640 2.861 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU H 1 11 ALA H . . 4.130 4.083 3.769 4.212 0.082 7 0 "[ . 1 . 2]" 1
79 1 9 LEU HA 1 9 LEU QD . . 3.070 2.102 1.754 2.851 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU HA 1 12 ARG H . . 4.380 3.583 3.357 3.765 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU HA 1 12 ARG QB . . 4.880 3.966 3.145 4.241 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU HB3 1 10 ARG H . . 3.990 3.361 2.940 3.547 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU QD 1 12 ARG QD . . 4.480 2.225 1.678 3.068 . 0 0 "[ . 1 . 2]" 1
84 1 9 LEU QD 1 13 ARG QD . . 4.880 3.404 2.503 4.523 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU QD 1 13 ARG HE . . 4.480 2.901 1.902 4.325 . 0 0 "[ . 1 . 2]" 1
86 1 9 LEU HG 1 13 ARG QD . . 4.880 4.503 3.118 4.905 0.024 16 0 "[ . 1 . 2]" 1
87 1 9 LEU HG 1 13 ARG HE . . 4.820 3.981 2.630 4.901 0.081 8 0 "[ . 1 . 2]" 1
88 1 10 ARG H 1 10 ARG QD . . 4.840 3.045 1.925 3.801 . 0 0 "[ . 1 . 2]" 1
89 1 10 ARG H 1 10 ARG HG2 . . 3.110 1.926 1.834 2.396 . 0 0 "[ . 1 . 2]" 1
90 1 10 ARG H 1 10 ARG HG3 . . 4.240 2.733 2.042 3.795 . 0 0 "[ . 1 . 2]" 1
91 1 10 ARG H 1 11 ALA H . . 3.590 2.594 2.502 2.724 . 0 0 "[ . 1 . 2]" 1
92 1 10 ARG H 1 98 LEU QD . . 4.320 4.300 4.085 4.686 0.366 5 0 "[ . 1 . 2]" 1
93 1 10 ARG HA 1 10 ARG QD . . 4.240 2.987 1.929 4.298 0.058 18 0 "[ . 1 . 2]" 1
94 1 10 ARG HA 1 10 ARG HG3 . . 3.820 3.798 3.734 3.981 0.161 18 0 "[ . 1 . 2]" 1
95 1 10 ARG HA 1 12 ARG H . . 4.630 4.649 4.565 4.724 0.094 15 0 "[ . 1 . 2]" 1
96 1 10 ARG HA 1 13 ARG H . . 3.930 3.251 3.132 3.389 . 0 0 "[ . 1 . 2]" 1
97 1 10 ARG HA 1 13 ARG QB . . 3.430 1.991 1.805 2.129 . 0 0 "[ . 1 . 2]" 1
98 1 10 ARG HA 1 98 LEU QD . . 3.730 2.226 1.966 2.549 . 0 0 "[ . 1 . 2]" 1
99 1 10 ARG HE 1 10 ARG HG3 . . 4.160 2.666 2.064 3.416 . 0 0 "[ . 1 . 2]" 1
100 1 10 ARG HG2 1 11 ALA H . . 3.850 3.866 1.946 4.244 0.394 12 0 "[ . 1 . 2]" 1
101 1 10 ARG HG2 1 98 LEU QD . . 4.480 4.007 3.241 4.507 0.027 9 0 "[ . 1 . 2]" 1
102 1 10 ARG HG3 1 11 ALA H . . 4.880 4.147 3.359 5.081 0.201 20 0 "[ . 1 . 2]" 1
103 1 11 ALA H 1 11 ALA MB . . 2.840 2.116 1.939 2.175 . 0 0 "[ . 1 . 2]" 1
104 1 11 ALA H 1 12 ARG H . . 3.330 2.763 2.624 2.847 . 0 0 "[ . 1 . 2]" 1
105 1 11 ALA H 1 13 ARG H . . 4.420 3.781 3.667 3.891 . 0 0 "[ . 1 . 2]" 1
106 1 11 ALA HA 1 13 ARG H . . 4.480 4.374 4.206 4.536 0.056 11 0 "[ . 1 . 2]" 1
107 1 11 ALA MB 1 12 ARG H . . 3.250 2.384 2.308 2.455 . 0 0 "[ . 1 . 2]" 1
108 1 11 ALA MB 1 13 ARG H . . 4.130 4.269 4.194 4.320 0.190 4 0 "[ . 1 . 2]" 1
109 1 12 ARG H 1 12 ARG QD . . 4.480 3.383 2.047 3.894 . 0 0 "[ . 1 . 2]" 1
110 1 12 ARG H 1 12 ARG HG2 . . 4.060 2.808 2.051 4.214 0.154 18 0 "[ . 1 . 2]" 1
111 1 12 ARG H 1 13 ARG H . . 3.190 2.523 2.399 2.615 . 0 0 "[ . 1 . 2]" 1
112 1 12 ARG H 1 13 ARG HA . . 5.040 5.020 4.903 5.103 0.063 8 0 "[ . 1 . 2]" 1
113 1 12 ARG H 1 71 LEU QD . . 5.200 4.695 4.154 5.119 . 0 0 "[ . 1 . 2]" 1
114 1 12 ARG QB 1 70 LEU QB . . 2.640 2.557 1.870 2.716 0.076 4 0 "[ . 1 . 2]" 1
115 1 12 ARG QB 1 71 LEU QD . . 4.240 2.685 2.047 3.546 . 0 0 "[ . 1 . 2]" 1
116 1 12 ARG QB 1 71 LEU HG . . 3.590 3.377 2.540 3.711 0.121 3 0 "[ . 1 . 2]" 1
117 1 12 ARG QD 1 13 ARG H . . 4.830 3.091 2.254 3.599 . 0 0 "[ . 1 . 2]" 1
118 1 12 ARG QD 1 13 ARG QB . . 4.140 3.828 2.887 4.340 0.200 20 0 "[ . 1 . 2]" 1
119 1 12 ARG QD 1 13 ARG HE . . 3.800 3.178 1.965 3.753 . 0 0 "[ . 1 . 2]" 1
120 1 12 ARG QD 1 16 VAL QG . . 4.350 3.316 2.280 4.135 . 0 0 "[ . 1 . 2]" 1
121 1 12 ARG QD 1 71 LEU QD . . 3.620 2.137 1.639 3.098 . 0 0 "[ . 1 . 2]" 1
122 1 12 ARG QD 1 71 LEU HG . . 3.590 2.603 1.815 3.615 0.025 11 0 "[ . 1 . 2]" 1
123 1 13 ARG H 1 13 ARG QB . . 3.340 2.031 2.001 2.145 . 0 0 "[ . 1 . 2]" 1
124 1 13 ARG H 1 13 ARG QD . . 5.140 3.360 2.619 4.248 . 0 0 "[ . 1 . 2]" 1
125 1 13 ARG H 1 13 ARG HG2 . . 4.220 4.365 2.783 4.633 0.413 17 0 "[ . 1 . 2]" 1
126 1 13 ARG H 1 13 ARG HG3 . . 5.110 3.937 3.143 4.300 . 0 0 "[ . 1 . 2]" 1
127 1 13 ARG H 1 14 GLU H . . 3.840 2.711 2.582 2.818 . 0 0 "[ . 1 . 2]" 1
128 1 13 ARG H 1 15 ALA H . . 4.880 4.316 4.174 4.415 . 0 0 "[ . 1 . 2]" 1
129 1 13 ARG H 1 98 LEU QD . . 4.730 3.843 3.647 4.163 . 0 0 "[ . 1 . 2]" 1
130 1 13 ARG HA 1 13 ARG HG2 . . 4.240 3.301 2.735 3.585 . 0 0 "[ . 1 . 2]" 1
131 1 13 ARG HA 1 16 VAL H . . 4.240 3.340 3.176 3.709 . 0 0 "[ . 1 . 2]" 1
132 1 13 ARG HA 1 16 VAL HB . . 3.500 2.150 2.005 2.397 . 0 0 "[ . 1 . 2]" 1
133 1 13 ARG HA 1 16 VAL QG . . 3.730 2.840 2.725 3.041 . 0 0 "[ . 1 . 2]" 1
134 1 13 ARG HA 1 17 LEU H . . 4.650 3.759 3.524 3.996 . 0 0 "[ . 1 . 2]" 1
135 1 13 ARG HA 1 17 LEU QD . . 4.480 3.168 2.552 4.055 . 0 0 "[ . 1 . 2]" 1
136 1 13 ARG HA 1 17 LEU HG . . 4.880 4.689 3.543 4.937 0.057 12 0 "[ . 1 . 2]" 1
137 1 13 ARG HA 1 98 LEU QD . . 3.730 3.568 3.444 3.717 . 0 0 "[ . 1 . 2]" 1
138 1 13 ARG QB 1 13 ARG HE . . 4.880 3.312 2.028 4.100 . 0 0 "[ . 1 . 2]" 1
139 1 13 ARG QB 1 14 GLU H . . 3.810 2.762 2.515 2.924 . 0 0 "[ . 1 . 2]" 1
140 1 13 ARG QB 1 14 GLU HA . . 5.220 3.717 3.631 3.826 . 0 0 "[ . 1 . 2]" 1
141 1 13 ARG QB 1 98 LEU HB3 . . 4.480 4.082 3.715 4.362 . 0 0 "[ . 1 . 2]" 1
142 1 13 ARG QB 1 98 LEU QD . . 3.870 1.700 1.610 1.963 . 0 0 "[ . 1 . 2]" 1
143 1 13 ARG QH2 1 17 LEU QD . . 4.480 5.235 4.055 6.124 1.644 5 13 "[-* *+** ** **.* **2]" 1
144 1 14 GLU H 1 14 GLU HB2 . . 3.080 2.139 2.042 2.918 . 0 0 "[ . 1 . 2]" 1
145 1 14 GLU H 1 14 GLU HG2 . . 3.990 3.939 3.217 4.501 0.511 4 2 "[ +- 1 . 2]" 1
146 1 14 GLU H 1 15 ALA H . . 3.370 2.689 2.553 2.776 . 0 0 "[ . 1 . 2]" 1
147 1 14 GLU H 1 15 ALA MB . . 4.590 4.289 4.147 4.403 . 0 0 "[ . 1 . 2]" 1
148 1 14 GLU H 1 16 VAL H . . 4.980 3.854 3.728 3.984 . 0 0 "[ . 1 . 2]" 1
149 1 14 GLU HA 1 14 GLU HB2 . . 2.940 2.863 2.307 2.953 0.013 8 0 "[ . 1 . 2]" 1
150 1 14 GLU HA 1 14 GLU HG2 . . 3.500 2.423 1.998 3.956 0.456 4 0 "[ . 1 . 2]" 1
151 1 14 GLU HA 1 16 VAL H . . 5.070 4.449 4.355 4.740 . 0 0 "[ . 1 . 2]" 1
152 1 14 GLU HA 1 17 LEU H . . 4.060 3.485 3.379 3.736 . 0 0 "[ . 1 . 2]" 1
153 1 14 GLU HA 1 17 LEU HB2 . . 3.340 2.662 2.553 2.844 . 0 0 "[ . 1 . 2]" 1
154 1 14 GLU HA 1 17 LEU HB3 . . 4.140 4.186 4.066 4.313 0.173 11 0 "[ . 1 . 2]" 1
155 1 14 GLU HA 1 17 LEU QD . . 3.870 3.555 2.529 3.818 . 0 0 "[ . 1 . 2]" 1
156 1 14 GLU HA 1 18 SER H . . 4.480 4.501 4.327 4.652 0.172 13 0 "[ . 1 . 2]" 1
157 1 14 GLU HB2 1 15 ALA H . . 3.580 3.107 2.913 4.115 0.535 4 1 "[ +. 1 . 2]" 1
158 1 15 ALA H 1 15 ALA MB . . 2.910 2.072 1.958 2.179 . 0 0 "[ . 1 . 2]" 1
159 1 15 ALA H 1 16 VAL H . . 3.430 2.487 2.450 2.517 . 0 0 "[ . 1 . 2]" 1
160 1 15 ALA H 1 16 VAL HB . . 4.650 4.457 4.340 4.570 . 0 0 "[ . 1 . 2]" 1
161 1 15 ALA H 1 16 VAL QG . . 4.680 4.082 3.848 4.216 . 0 0 "[ . 1 . 2]" 1
162 1 15 ALA H 1 17 LEU H . . 5.020 3.948 3.837 4.054 . 0 0 "[ . 1 . 2]" 1
163 1 15 ALA H 1 18 SER H . . 4.960 4.805 4.665 4.942 . 0 0 "[ . 1 . 2]" 1
164 1 15 ALA H 1 70 LEU QD . . 4.990 3.922 3.390 4.936 . 0 0 "[ . 1 . 2]" 1
165 1 15 ALA HA 1 18 SER H . . 3.990 3.310 3.146 3.397 . 0 0 "[ . 1 . 2]" 1
166 1 15 ALA HA 1 18 SER HB2 . . 3.770 2.877 2.546 3.473 . 0 0 "[ . 1 . 2]" 1
167 1 15 ALA HA 1 18 SER HB3 . . 4.140 3.703 3.127 4.114 . 0 0 "[ . 1 . 2]" 1
168 1 15 ALA HA 1 19 LEU H . . 4.880 4.293 4.079 4.517 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA MB 1 16 VAL H . . 3.470 2.740 2.521 2.844 . 0 0 "[ . 1 . 2]" 1
170 1 15 ALA MB 1 16 VAL HA . . 4.650 3.801 3.725 3.889 . 0 0 "[ . 1 . 2]" 1
171 1 15 ALA MB 1 16 VAL HB . . 4.880 4.523 4.353 4.722 . 0 0 "[ . 1 . 2]" 1
172 1 15 ALA MB 1 16 VAL QG . . 3.220 3.186 3.029 3.314 0.094 9 0 "[ . 1 . 2]" 1
173 1 15 ALA MB 1 18 SER HB2 . . 4.650 4.366 4.056 4.892 0.242 5 0 "[ . 1 . 2]" 1
174 1 15 ALA MB 1 19 LEU QD . . 4.650 3.856 2.831 4.451 . 0 0 "[ . 1 . 2]" 1
175 1 15 ALA MB 1 70 LEU QD . . 3.340 2.081 1.721 2.860 . 0 0 "[ . 1 . 2]" 1
176 1 16 VAL H 1 16 VAL HB . . 3.200 2.234 2.136 2.360 . 0 0 "[ . 1 . 2]" 1
177 1 16 VAL H 1 16 VAL QG . . 3.050 2.407 2.136 2.580 . 0 0 "[ . 1 . 2]" 1
178 1 16 VAL H 1 17 LEU H . . 3.540 2.586 2.524 2.774 . 0 0 "[ . 1 . 2]" 1
179 1 16 VAL H 1 70 LEU QD . . 4.100 3.121 2.749 3.628 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL HA 1 16 VAL QG . . 3.090 2.087 2.014 2.161 . 0 0 "[ . 1 . 2]" 1
181 1 16 VAL HA 1 18 SER H . . 4.880 4.316 4.221 4.396 . 0 0 "[ . 1 . 2]" 1
182 1 16 VAL HA 1 19 LEU H . . 4.240 3.181 3.037 3.347 . 0 0 "[ . 1 . 2]" 1
183 1 16 VAL HA 1 19 LEU HB2 . . 4.060 4.181 3.817 4.516 0.456 6 0 "[ . 1 . 2]" 1
184 1 16 VAL HA 1 19 LEU HB3 . . 4.140 3.032 2.180 4.146 0.006 1 0 "[ . 1 . 2]" 1
185 1 16 VAL HA 1 19 LEU QD . . 4.060 2.195 1.809 2.602 . 0 0 "[ . 1 . 2]" 1
186 1 16 VAL HA 1 19 LEU HG . . 4.880 3.577 1.778 4.922 0.042 12 0 "[ . 1 . 2]" 1
187 1 16 VAL HA 1 20 CYS H . . 4.880 3.657 3.374 3.881 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL HA 1 20 CYS QB . . 4.880 4.586 4.419 4.830 . 0 0 "[ . 1 . 2]" 1
189 1 16 VAL HA 1 70 LEU QD . . 3.470 2.908 2.482 3.234 . 0 0 "[ . 1 . 2]" 1
190 1 16 VAL HB 1 17 LEU H . . 3.470 2.856 2.633 2.964 . 0 0 "[ . 1 . 2]" 1
191 1 16 VAL HB 1 17 LEU HA . . 5.220 4.515 4.338 4.646 . 0 0 "[ . 1 . 2]" 1
192 1 16 VAL HB 1 70 LEU QD . . 4.060 3.814 3.392 4.042 . 0 0 "[ . 1 . 2]" 1
193 1 16 VAL QG 1 17 LEU H . . 3.850 3.241 3.120 3.329 . 0 0 "[ . 1 . 2]" 1
194 1 16 VAL QG 1 17 LEU HA . . 3.930 3.385 3.148 3.552 . 0 0 "[ . 1 . 2]" 1
195 1 16 VAL QG 1 18 SER H . . 5.010 4.606 4.516 4.662 . 0 0 "[ . 1 . 2]" 1
196 1 16 VAL QG 1 19 LEU H . . 5.050 4.113 3.933 4.268 . 0 0 "[ . 1 . 2]" 1
197 1 16 VAL QG 1 20 CYS H . . 4.340 3.419 3.088 3.625 . 0 0 "[ . 1 . 2]" 1
198 1 16 VAL QG 1 20 CYS HA . . 4.880 4.128 3.942 4.240 . 0 0 "[ . 1 . 2]" 1
199 1 16 VAL QG 1 70 LEU QD . . 2.820 1.774 1.678 2.102 . 0 0 "[ . 1 . 2]" 1
200 1 16 VAL QG 1 71 LEU QD . . 3.340 2.494 1.723 3.430 0.090 15 0 "[ . 1 . 2]" 1
201 1 17 LEU H 1 17 LEU HB2 . . 3.390 2.134 2.055 2.185 . 0 0 "[ . 1 . 2]" 1
202 1 17 LEU H 1 17 LEU HB3 . . 3.820 3.436 3.372 3.469 . 0 0 "[ . 1 . 2]" 1
203 1 17 LEU H 1 17 LEU QD . . 3.930 2.364 2.105 3.267 . 0 0 "[ . 1 . 2]" 1
204 1 17 LEU H 1 17 LEU HG . . 3.310 3.407 2.885 3.656 0.346 19 0 "[ . 1 . 2]" 1
205 1 17 LEU H 1 18 SER H . . 3.460 2.674 2.599 2.739 . 0 0 "[ . 1 . 2]" 1
206 1 17 LEU H 1 98 LEU QD . . 4.480 4.250 3.768 4.442 . 0 0 "[ . 1 . 2]" 1
207 1 17 LEU HA 1 17 LEU QD . . 2.910 2.041 1.846 2.818 . 0 0 "[ . 1 . 2]" 1
208 1 17 LEU HA 1 17 LEU HG . . 4.140 3.360 2.142 3.648 . 0 0 "[ . 1 . 2]" 1
209 1 17 LEU HA 1 19 LEU H . . 4.880 4.376 4.258 4.537 . 0 0 "[ . 1 . 2]" 1
210 1 17 LEU HA 1 19 LEU QD . . 4.400 4.356 4.199 4.475 0.075 19 0 "[ . 1 . 2]" 1
211 1 17 LEU HA 1 20 CYS H . . 3.980 3.283 3.154 3.456 . 0 0 "[ . 1 . 2]" 1
212 1 17 LEU HA 1 20 CYS QB . . 3.470 2.197 1.967 2.423 . 0 0 "[ . 1 . 2]" 1
213 1 17 LEU HA 1 21 ALA H . . 4.580 4.057 3.854 4.344 . 0 0 "[ . 1 . 2]" 1
214 1 17 LEU HA 1 28 VAL QG . . 4.240 2.575 2.270 3.017 . 0 0 "[ . 1 . 2]" 1
215 1 17 LEU HB2 1 18 SER H . . 3.650 2.894 2.840 2.995 . 0 0 "[ . 1 . 2]" 1
216 1 17 LEU HB3 1 18 SER H . . 3.990 3.403 3.252 3.546 . 0 0 "[ . 1 . 2]" 1
217 1 17 LEU QD 1 18 SER H . . 4.620 4.023 3.954 4.179 . 0 0 "[ . 1 . 2]" 1
218 1 17 LEU QD 1 20 CYS QB . . 4.240 3.100 2.759 3.810 . 0 0 "[ . 1 . 2]" 1
219 1 17 LEU QD 1 28 VAL H . . 4.350 3.888 3.144 4.344 . 0 0 "[ . 1 . 2]" 1
220 1 17 LEU QD 1 28 VAL HB . . 3.110 2.005 1.655 2.932 . 0 0 "[ . 1 . 2]" 1
221 1 17 LEU QD 1 28 VAL QG . . 2.950 1.666 1.415 2.168 . 0 0 "[ . 1 . 2]" 1
222 1 18 SER H 1 18 SER HB2 . . 3.280 2.088 2.019 2.336 . 0 0 "[ . 1 . 2]" 1
223 1 18 SER H 1 18 SER HB3 . . 3.360 3.052 2.629 3.350 . 0 0 "[ . 1 . 2]" 1
224 1 18 SER H 1 19 LEU H . . 3.420 2.611 2.511 2.702 . 0 0 "[ . 1 . 2]" 1
225 1 18 SER H 1 19 LEU QD . . 4.880 4.562 4.278 4.765 . 0 0 "[ . 1 . 2]" 1
226 1 18 SER HA 1 21 ALA H . . 4.240 3.576 3.502 3.685 . 0 0 "[ . 1 . 2]" 1
227 1 18 SER HA 1 21 ALA MB . . 3.240 2.850 2.598 3.256 0.016 18 0 "[ . 1 . 2]" 1
228 1 18 SER HA 1 22 ARG H . . 5.220 4.671 4.388 5.164 . 0 0 "[ . 1 . 2]" 1
229 1 18 SER HB2 1 19 LEU H . . 4.060 3.405 2.932 3.866 . 0 0 "[ . 1 . 2]" 1
230 1 18 SER HB3 1 19 LEU H . . 4.000 2.925 2.532 3.126 . 0 0 "[ . 1 . 2]" 1
231 1 19 LEU H 1 19 LEU HB2 . . 3.410 3.278 3.076 3.556 0.146 6 0 "[ . 1 . 2]" 1
232 1 19 LEU H 1 19 LEU HB3 . . 3.660 2.308 2.042 2.715 . 0 0 "[ . 1 . 2]" 1
233 1 19 LEU H 1 19 LEU QD . . 4.600 2.978 2.864 3.068 . 0 0 "[ . 1 . 2]" 1
234 1 19 LEU H 1 20 CYS H . . 3.440 2.446 2.404 2.481 . 0 0 "[ . 1 . 2]" 1
235 1 19 LEU H 1 21 ALA H . . 4.660 4.011 3.784 4.182 . 0 0 "[ . 1 . 2]" 1
236 1 19 LEU H 1 21 ALA MB . . 4.880 4.747 4.513 5.059 0.179 18 0 "[ . 1 . 2]" 1
237 1 19 LEU HA 1 19 LEU HB3 . . 2.840 2.699 2.359 2.927 0.087 14 0 "[ . 1 . 2]" 1
238 1 19 LEU HA 1 19 LEU QD . . 3.380 3.290 3.240 3.353 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU HA 1 21 ALA H . . 4.650 4.163 3.885 4.275 . 0 0 "[ . 1 . 2]" 1
240 1 19 LEU HA 1 22 ARG H . . 4.160 3.013 2.843 3.137 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU HA 1 22 ARG HB2 . . 3.020 2.233 1.912 2.569 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU HA 1 22 ARG HD2 . . 4.240 3.449 2.071 4.538 0.298 3 0 "[ . 1 . 2]" 1
243 1 19 LEU HA 1 22 ARG HG2 . . 4.650 4.474 3.517 4.817 0.167 8 0 "[ . 1 . 2]" 1
244 1 19 LEU HB2 1 20 CYS H . . 3.890 4.118 3.866 4.326 0.436 20 0 "[ . 1 . 2]" 1
245 1 19 LEU HB3 1 20 CYS H . . 3.830 3.522 3.027 4.209 0.379 18 0 "[ . 1 . 2]" 1
246 1 19 LEU HB3 1 23 HIS HD2 . . 4.880 4.370 3.681 4.893 0.013 19 0 "[ . 1 . 2]" 1
247 1 19 LEU QD 1 20 CYS H . . 4.320 2.237 1.964 2.569 . 0 0 "[ . 1 . 2]" 1
248 1 19 LEU QD 1 23 HIS HD2 . . 4.350 2.140 1.929 2.558 . 0 0 "[ . 1 . 2]" 1
249 1 19 LEU QD 1 66 ALA HA . . 4.880 3.938 3.321 4.506 . 0 0 "[ . 1 . 2]" 1
250 1 19 LEU QD 1 66 ALA MB . . 3.250 2.013 1.620 2.539 . 0 0 "[ . 1 . 2]" 1
251 1 19 LEU QD 1 67 LEU HA . . 4.060 3.504 3.301 3.698 . 0 0 "[ . 1 . 2]" 1
252 1 19 LEU QD 1 70 LEU HG . . 4.880 4.355 3.524 4.798 . 0 0 "[ . 1 . 2]" 1
253 1 19 LEU HG 1 20 CYS H . . 4.700 3.471 2.470 4.189 . 0 0 "[ . 1 . 2]" 1
254 1 20 CYS H 1 20 CYS QB . . 3.360 2.099 2.035 2.183 . 0 0 "[ . 1 . 2]" 1
255 1 20 CYS H 1 21 ALA MB . . 4.240 4.203 4.144 4.276 0.036 17 0 "[ . 1 . 2]" 1
256 1 20 CYS H 1 25 ALA MB . . 4.880 4.443 4.187 4.730 . 0 0 "[ . 1 . 2]" 1
257 1 20 CYS H 1 28 VAL QG . . 4.650 4.340 3.894 4.706 0.056 9 0 "[ . 1 . 2]" 1
258 1 20 CYS H 1 63 LEU QD . . 4.480 3.612 3.431 3.922 . 0 0 "[ . 1 . 2]" 1
259 1 20 CYS H 1 67 LEU MD2 . . 4.490 4.237 3.947 4.565 0.075 9 0 "[ . 1 . 2]" 1
260 1 20 CYS HA 1 21 ALA MB . . 4.880 5.004 4.977 5.010 0.130 6 0 "[ . 1 . 2]" 1
261 1 20 CYS HA 1 22 ARG H . . 4.690 4.194 4.008 4.547 . 0 0 "[ . 1 . 2]" 1
262 1 20 CYS HA 1 23 HIS H . . 4.480 3.270 3.098 3.540 . 0 0 "[ . 1 . 2]" 1
263 1 20 CYS HA 1 23 HIS HB2 . . 4.240 2.590 2.036 2.943 . 0 0 "[ . 1 . 2]" 1
264 1 20 CYS HA 1 23 HIS HB3 . . 4.880 4.194 3.310 4.577 . 0 0 "[ . 1 . 2]" 1
265 1 20 CYS HA 1 23 HIS HD2 . . 4.650 3.254 2.661 3.776 . 0 0 "[ . 1 . 2]" 1
266 1 20 CYS HA 1 25 ALA MB . . 3.620 2.849 2.514 3.140 . 0 0 "[ . 1 . 2]" 1
267 1 20 CYS HA 1 63 LEU QD . . 2.960 2.007 1.754 2.391 . 0 0 "[ . 1 . 2]" 1
268 1 20 CYS HA 1 67 LEU MD2 . . 4.880 3.924 3.511 4.347 . 0 0 "[ . 1 . 2]" 1
269 1 20 CYS QB 1 21 ALA H . . 3.620 2.903 2.745 3.367 . 0 0 "[ . 1 . 2]" 1
270 1 20 CYS QB 1 21 ALA MB . . 4.480 3.989 3.830 4.464 . 0 0 "[ . 1 . 2]" 1
271 1 20 CYS QB 1 25 ALA H . . 4.880 4.123 3.759 4.649 . 0 0 "[ . 1 . 2]" 1
272 1 20 CYS QB 1 25 ALA MB . . 3.290 1.949 1.749 2.324 . 0 0 "[ . 1 . 2]" 1
273 1 20 CYS QB 1 28 VAL QG . . 3.870 2.327 1.803 2.710 . 0 0 "[ . 1 . 2]" 1
274 1 20 CYS QB 1 63 LEU QD . . 4.880 2.933 2.162 3.215 . 0 0 "[ . 1 . 2]" 1
275 1 21 ALA H 1 21 ALA MB . . 2.850 1.950 1.932 1.999 . 0 0 "[ . 1 . 2]" 1
276 1 21 ALA H 1 22 ARG H . . 3.540 2.583 2.486 2.674 . 0 0 "[ . 1 . 2]" 1
277 1 21 ALA H 1 22 ARG HB2 . . 5.360 4.462 4.302 4.682 . 0 0 "[ . 1 . 2]" 1
278 1 21 ALA H 1 23 HIS H . . 5.200 3.945 3.644 4.115 . 0 0 "[ . 1 . 2]" 1
279 1 21 ALA H 1 25 ALA MB . . 5.050 3.893 3.249 4.564 . 0 0 "[ . 1 . 2]" 1
280 1 21 ALA H 1 28 VAL QG . . 5.310 4.106 3.599 4.968 . 0 0 "[ . 1 . 2]" 1
281 1 21 ALA HA 1 23 HIS H . . 4.650 4.045 3.667 4.480 . 0 0 "[ . 1 . 2]" 1
282 1 21 ALA HA 1 24 GLY H . . 4.060 3.350 2.910 3.865 . 0 0 "[ . 1 . 2]" 1
283 1 21 ALA HA 1 25 ALA H . . 3.530 3.017 2.070 3.773 0.243 15 0 "[ . 1 . 2]" 1
284 1 21 ALA HA 1 25 ALA MB . . 4.480 3.415 2.533 4.187 . 0 0 "[ . 1 . 2]" 1
285 1 21 ALA HA 1 26 VAL QG . . 4.350 3.880 2.974 4.309 . 0 0 "[ . 1 . 2]" 1
286 1 21 ALA MB 1 22 ARG H . . 3.400 2.853 2.623 2.908 . 0 0 "[ . 1 . 2]" 1
287 1 21 ALA MB 1 24 GLY H . . 5.070 4.437 4.244 4.639 . 0 0 "[ . 1 . 2]" 1
288 1 21 ALA MB 1 25 ALA H . . 5.220 4.556 3.782 5.173 . 0 0 "[ . 1 . 2]" 1
289 1 22 ARG H 1 22 ARG HB2 . . 3.260 2.120 2.035 2.430 . 0 0 "[ . 1 . 2]" 1
290 1 22 ARG H 1 22 ARG HB3 . . 3.560 3.376 3.244 3.551 . 0 0 "[ . 1 . 2]" 1
291 1 22 ARG H 1 22 ARG HD2 . . 4.780 3.527 2.219 4.742 . 0 0 "[ . 1 . 2]" 1
292 1 22 ARG H 1 22 ARG HG2 . . 4.480 4.205 2.618 4.503 0.023 19 0 "[ . 1 . 2]" 1
293 1 22 ARG H 1 22 ARG HG3 . . 3.970 3.496 2.573 3.972 0.002 4 0 "[ . 1 . 2]" 1
294 1 22 ARG H 1 23 HIS H . . 3.370 2.520 2.470 2.603 . 0 0 "[ . 1 . 2]" 1
295 1 22 ARG HA 1 22 ARG HD2 . . 4.240 3.705 2.794 4.707 0.467 17 0 "[ . 1 . 2]" 1
296 1 22 ARG HA 1 22 ARG HG2 . . 3.930 3.089 2.259 3.551 . 0 0 "[ . 1 . 2]" 1
297 1 22 ARG HA 1 22 ARG HG3 . . 3.990 2.256 1.980 3.599 . 0 0 "[ . 1 . 2]" 1
298 1 22 ARG HA 1 24 GLY H . . 4.480 3.862 3.346 4.495 0.015 5 0 "[ . 1 . 2]" 1
299 1 22 ARG HB2 1 23 HIS HD2 . . 4.650 3.855 3.388 4.629 . 0 0 "[ . 1 . 2]" 1
300 1 22 ARG HB3 1 22 ARG HD2 . . 4.140 3.567 2.072 4.145 0.005 3 0 "[ . 1 . 2]" 1
301 1 23 HIS H 1 23 HIS HB2 . . 3.650 2.268 2.101 2.441 . 0 0 "[ . 1 . 2]" 1
302 1 23 HIS H 1 23 HIS HB3 . . 3.990 3.515 3.357 3.633 . 0 0 "[ . 1 . 2]" 1
303 1 23 HIS H 1 23 HIS HD2 . . 4.880 3.194 2.722 3.912 . 0 0 "[ . 1 . 2]" 1
304 1 23 HIS H 1 24 GLY H . . 3.260 2.397 2.101 2.585 . 0 0 "[ . 1 . 2]" 1
305 1 23 HIS H 1 24 GLY QA . . 4.930 4.318 4.081 4.461 . 0 0 "[ . 1 . 2]" 1
306 1 23 HIS H 1 25 ALA H . . 4.300 3.730 3.125 4.364 0.064 6 0 "[ . 1 . 2]" 1
307 1 23 HIS H 1 63 LEU QD . . 4.450 3.667 3.141 4.122 . 0 0 "[ . 1 . 2]" 1
308 1 23 HIS HA 1 24 GLY QA . . 4.880 4.195 4.136 4.256 . 0 0 "[ . 1 . 2]" 1
309 1 23 HIS HB2 1 24 GLY H . . 4.950 3.436 2.916 3.903 . 0 0 "[ . 1 . 2]" 1
310 1 23 HIS HB2 1 25 ALA H . . 5.070 3.804 2.963 5.207 0.137 16 0 "[ . 1 . 2]" 1
311 1 23 HIS HB2 1 63 LEU HA . . 5.220 4.457 3.869 4.799 . 0 0 "[ . 1 . 2]" 1
312 1 23 HIS HB2 1 63 LEU HB2 . . 4.240 3.432 2.888 3.818 . 0 0 "[ . 1 . 2]" 1
313 1 23 HIS HB2 1 63 LEU HB3 . . 4.650 4.616 4.300 4.759 0.109 19 0 "[ . 1 . 2]" 1
314 1 23 HIS HB2 1 63 LEU QD . . 3.730 2.201 1.725 2.725 . 0 0 "[ . 1 . 2]" 1
315 1 23 HIS HB2 1 63 LEU HG . . 3.870 3.017 1.975 4.520 0.650 2 2 "[ + . - 1 . 2]" 1
316 1 23 HIS HB3 1 63 LEU HA . . 4.650 4.311 3.571 4.756 0.106 19 0 "[ . 1 . 2]" 1
317 1 23 HIS HB3 1 63 LEU HB2 . . 3.770 2.554 1.975 3.167 . 0 0 "[ . 1 . 2]" 1
318 1 23 HIS HB3 1 63 LEU HB3 . . 4.650 4.019 3.398 4.614 . 0 0 "[ . 1 . 2]" 1
319 1 23 HIS HB3 1 63 LEU QD . . 3.930 2.506 1.825 3.160 . 0 0 "[ . 1 . 2]" 1
320 1 23 HIS HB3 1 63 LEU HG . . 4.650 3.286 2.390 4.640 . 0 0 "[ . 1 . 2]" 1
321 1 23 HIS HD2 1 63 LEU HA . . 4.240 3.879 3.052 4.312 0.072 16 0 "[ . 1 . 2]" 1
322 1 23 HIS HD2 1 63 LEU QD . . 3.530 2.509 1.934 3.431 . 0 0 "[ . 1 . 2]" 1
323 1 23 HIS HD2 1 66 ALA MB . . 4.650 3.853 2.916 4.190 . 0 0 "[ . 1 . 2]" 1
324 1 23 HIS HE1 1 62 ARG HB2 . . 3.820 3.202 2.469 3.728 . 0 0 "[ . 1 . 2]" 1
325 1 23 HIS HE1 1 62 ARG HB3 . . 4.240 2.095 1.981 2.714 . 0 0 "[ . 1 . 2]" 1
326 1 23 HIS HE1 1 62 ARG HD2 . . 4.480 3.452 2.232 4.411 . 0 0 "[ . 1 . 2]" 1
327 1 23 HIS HE1 1 62 ARG HD3 . . 4.650 4.002 3.384 4.637 . 0 0 "[ . 1 . 2]" 1
328 1 23 HIS HE1 1 63 LEU HA . . 4.880 3.614 2.698 4.159 . 0 0 "[ . 1 . 2]" 1
329 1 23 HIS HE1 1 63 LEU QD . . 4.480 4.262 3.756 4.424 . 0 0 "[ . 1 . 2]" 1
330 1 23 HIS HE1 1 66 ALA MB . . 4.240 3.466 2.815 4.254 0.014 11 0 "[ . 1 . 2]" 1
331 1 24 GLY H 1 25 ALA H . . 3.450 2.415 1.886 2.870 . 0 0 "[ . 1 . 2]" 1
332 1 24 GLY H 1 25 ALA MB . . 4.880 3.792 3.317 4.146 . 0 0 "[ . 1 . 2]" 1
333 1 24 GLY QA 1 25 ALA HA . . 4.650 4.052 3.961 4.136 . 0 0 "[ . 1 . 2]" 1
334 1 24 GLY QA 1 51 PHE QD . . 4.480 3.022 2.447 3.647 . 0 0 "[ . 1 . 2]" 1
335 1 24 GLY QA 1 52 GLU H . . 4.880 3.111 2.299 3.809 . 0 0 "[ . 1 . 2]" 1
336 1 24 GLY QA 1 52 GLU QB . . 4.880 4.118 2.994 4.571 . 0 0 "[ . 1 . 2]" 1
337 1 24 GLY QA 1 52 GLU QG . . 4.350 2.986 2.290 3.671 . 0 0 "[ . 1 . 2]" 1
338 1 24 GLY QA 1 55 ARG HB3 . . 4.880 3.489 2.051 4.691 . 0 0 "[ . 1 . 2]" 1
339 1 24 GLY QA 1 55 ARG QD . . 4.480 2.892 1.876 4.080 . 0 0 "[ . 1 . 2]" 1
340 1 24 GLY QA 1 55 ARG QG . . 3.820 2.204 1.905 2.561 . 0 0 "[ . 1 . 2]" 1
341 1 25 ALA H 1 25 ALA MB . . 3.090 2.275 2.016 2.675 . 0 0 "[ . 1 . 2]" 1
342 1 25 ALA H 1 26 VAL H . . 4.910 4.312 3.460 4.675 . 0 0 "[ . 1 . 2]" 1
343 1 25 ALA H 1 63 LEU QD . . 4.960 3.642 2.684 4.764 . 0 0 "[ . 1 . 2]" 1
344 1 25 ALA HA 1 26 VAL H . . 3.120 2.227 2.187 2.416 . 0 0 "[ . 1 . 2]" 1
345 1 25 ALA HA 1 26 VAL QG . . 4.350 3.339 3.029 4.236 . 0 0 "[ . 1 . 2]" 1
346 1 25 ALA HA 1 49 VAL MG1 . . 4.880 4.050 3.720 4.726 . 0 0 "[ . 1 . 2]" 1
347 1 25 ALA HA 1 51 PHE HA . . 3.270 2.827 1.993 3.176 . 0 0 "[ . 1 . 2]" 1
348 1 25 ALA HA 1 51 PHE QD . . 4.650 3.962 2.766 4.499 . 0 0 "[ . 1 . 2]" 1
349 1 25 ALA HA 1 52 GLU H . . 4.410 4.253 3.610 4.489 0.079 16 0 "[ . 1 . 2]" 1
350 1 25 ALA MB 1 26 VAL H . . 3.690 3.305 2.664 3.666 . 0 0 "[ . 1 . 2]" 1
351 1 25 ALA MB 1 26 VAL HA . . 4.880 4.197 3.918 4.341 . 0 0 "[ . 1 . 2]" 1
352 1 25 ALA MB 1 49 VAL HA . . 4.880 4.112 3.657 4.515 . 0 0 "[ . 1 . 2]" 1
353 1 25 ALA MB 1 49 VAL HB . . 3.560 2.406 1.975 2.796 . 0 0 "[ . 1 . 2]" 1
354 1 25 ALA MB 1 49 VAL MG1 . . 3.150 2.224 1.941 2.930 . 0 0 "[ . 1 . 2]" 1
355 1 25 ALA MB 1 49 VAL MG2 . . 3.930 3.218 2.410 3.711 . 0 0 "[ . 1 . 2]" 1
356 1 25 ALA MB 1 50 ALA H . . 4.350 3.635 3.279 4.030 . 0 0 "[ . 1 . 2]" 1
357 1 25 ALA MB 1 51 PHE HA . . 4.350 4.152 3.585 4.397 0.047 3 0 "[ . 1 . 2]" 1
358 1 25 ALA MB 1 51 PHE QD . . 4.650 3.905 2.859 4.424 . 0 0 "[ . 1 . 2]" 1
359 1 25 ALA MB 1 51 PHE QE . . 3.930 3.537 2.481 3.945 0.015 5 0 "[ . 1 . 2]" 1
360 1 25 ALA MB 1 51 PHE HZ . . 4.480 4.338 3.911 4.501 0.021 4 0 "[ . 1 . 2]" 1
361 1 25 ALA MB 1 63 LEU QD . . 3.170 2.227 1.718 2.676 . 0 0 "[ . 1 . 2]" 1
362 1 26 VAL H 1 26 VAL QG . . 3.170 1.979 1.815 2.964 . 0 0 "[ . 1 . 2]" 1
363 1 26 VAL H 1 27 ARG H . . 4.050 2.322 1.908 4.219 0.169 18 0 "[ . 1 . 2]" 1
364 1 26 VAL H 1 49 VAL HB . . 4.850 4.378 3.624 4.869 0.019 6 0 "[ . 1 . 2]" 1
365 1 26 VAL H 1 49 VAL MG1 . . 4.760 4.490 3.800 4.805 0.045 4 0 "[ . 1 . 2]" 1
366 1 26 VAL H 1 50 ALA H . . 4.220 2.937 2.287 3.536 . 0 0 "[ . 1 . 2]" 1
367 1 26 VAL H 1 50 ALA MB . . 4.740 3.363 2.923 3.834 . 0 0 "[ . 1 . 2]" 1
368 1 26 VAL H 1 51 PHE HA . . 3.870 3.798 3.286 3.926 0.056 8 0 "[ . 1 . 2]" 1
369 1 26 VAL H 1 52 GLU H . . 4.770 4.507 4.041 4.810 0.040 11 0 "[ . 1 . 2]" 1
370 1 26 VAL HA 1 26 VAL QG . . 3.130 2.143 1.957 2.331 . 0 0 "[ . 1 . 2]" 1
371 1 26 VAL HB 1 27 ARG H . . 3.770 3.458 1.994 3.756 . 0 0 "[ . 1 . 2]" 1
372 1 26 VAL HB 1 27 ARG QG . . 4.880 4.075 2.471 4.735 . 0 0 "[ . 1 . 2]" 1
373 1 26 VAL HB 1 50 ALA MB . . 4.880 4.559 3.749 5.010 0.130 15 0 "[ . 1 . 2]" 1
374 1 26 VAL QG 1 27 ARG H . . 4.350 1.983 1.761 3.449 . 0 0 "[ . 1 . 2]" 1
375 1 26 VAL QG 1 27 ARG HB2 . . 4.240 3.126 2.378 4.168 . 0 0 "[ . 1 . 2]" 1
376 1 26 VAL QG 1 27 ARG QG . . 4.060 2.761 1.869 3.805 . 0 0 "[ . 1 . 2]" 1
377 1 26 VAL QG 1 28 VAL H . . 4.880 4.429 3.999 4.779 . 0 0 "[ . 1 . 2]" 1
378 1 26 VAL QG 1 50 ALA H . . 4.650 3.344 2.787 3.752 . 0 0 "[ . 1 . 2]" 1
379 1 26 VAL QG 1 50 ALA MB . . 3.170 2.208 1.699 2.883 . 0 0 "[ . 1 . 2]" 1
380 1 26 VAL QG 1 51 PHE HA . . 4.480 3.515 2.475 4.179 . 0 0 "[ . 1 . 2]" 1
381 1 26 VAL QG 1 52 GLU H . . 4.620 3.074 2.411 3.610 . 0 0 "[ . 1 . 2]" 1
382 1 26 VAL QG 1 52 GLU HA . . 4.480 3.709 3.054 4.205 . 0 0 "[ . 1 . 2]" 1
383 1 26 VAL QG 1 52 GLU QB . . 4.140 2.941 2.086 3.708 . 0 0 "[ . 1 . 2]" 1
384 1 26 VAL QG 1 52 GLU QG . . 3.930 2.466 1.702 3.468 . 0 0 "[ . 1 . 2]" 1
385 1 27 ARG H 1 28 VAL H . . 4.990 3.685 2.961 4.399 . 0 0 "[ . 1 . 2]" 1
386 1 27 ARG HA 1 28 VAL H . . 3.500 2.609 2.230 3.636 0.136 11 0 "[ . 1 . 2]" 1
387 1 27 ARG HA 1 28 VAL QG . . 4.880 3.758 3.422 4.522 . 0 0 "[ . 1 . 2]" 1
388 1 27 ARG HB2 1 28 VAL H . . 4.890 4.456 2.368 4.711 . 0 0 "[ . 1 . 2]" 1
389 1 28 VAL H 1 28 VAL HB . . 3.690 2.956 1.977 3.686 . 0 0 "[ . 1 . 2]" 1
390 1 28 VAL H 1 28 VAL QG . . 3.380 1.984 1.812 2.838 . 0 0 "[ . 1 . 2]" 1
391 1 28 VAL HA 1 29 ARG H . . 3.450 2.215 2.184 2.425 . 0 0 "[ . 1 . 2]" 1
392 1 28 VAL HA 1 49 VAL HA . . 3.930 3.312 2.364 3.828 . 0 0 "[ . 1 . 2]" 1
393 1 28 VAL HA 1 49 VAL MG1 . . 4.140 2.046 1.760 2.607 . 0 0 "[ . 1 . 2]" 1
394 1 28 VAL HA 1 50 ALA H . . 4.880 4.626 3.726 5.026 0.146 20 0 "[ . 1 . 2]" 1
395 1 28 VAL QG 1 29 ARG H . . 3.990 3.331 2.663 3.742 . 0 0 "[ . 1 . 2]" 1
396 1 28 VAL QG 1 49 VAL MG1 . . 3.340 2.188 1.746 2.628 . 0 0 "[ . 1 . 2]" 1
397 1 29 ARG H 1 49 VAL MG1 . . 5.220 2.717 2.059 3.593 . 0 0 "[ . 1 . 2]" 1
398 1 29 ARG HA 1 29 ARG HD3 . . 4.880 4.509 4.221 5.468 0.588 12 1 "[ . 1 + . 2]" 1
399 1 29 ARG HA 1 30 VAL H . . 3.270 2.431 2.404 2.441 . 0 0 "[ . 1 . 2]" 1
400 1 29 ARG HA 1 30 VAL QG . . 4.650 3.321 3.064 3.711 . 0 0 "[ . 1 . 2]" 1
401 1 29 ARG HA 1 96 ILE H . . 4.730 4.098 3.521 4.649 . 0 0 "[ . 1 . 2]" 1
402 1 29 ARG HA 1 97 PRO HB3 . . 4.880 4.710 3.849 4.988 0.108 13 0 "[ . 1 . 2]" 1
403 1 29 ARG HA 1 98 LEU H . . 3.780 3.367 2.699 3.623 . 0 0 "[ . 1 . 2]" 1
404 1 29 ARG HA 1 98 LEU HB2 . . 4.880 4.891 4.035 5.828 0.948 2 2 "[ + .- 1 . 2]" 1
405 1 29 ARG HB2 1 30 VAL H . . 4.140 4.015 2.672 4.179 0.039 2 0 "[ . 1 . 2]" 1
406 1 29 ARG HB2 1 95 ALA MB . . 3.380 2.878 2.000 3.406 0.026 6 0 "[ . 1 . 2]" 1
407 1 29 ARG HB2 1 96 ILE H . . 5.220 4.543 2.461 5.175 . 0 0 "[ . 1 . 2]" 1
408 1 29 ARG HB2 1 97 PRO HA . . 4.880 4.774 3.165 4.957 0.077 20 0 "[ . 1 . 2]" 1
409 1 29 ARG HB3 1 29 ARG HD2 . . 4.060 3.101 2.288 4.012 . 0 0 "[ . 1 . 2]" 1
410 1 29 ARG HB3 1 30 VAL H . . 3.770 2.849 2.634 3.708 . 0 0 "[ . 1 . 2]" 1
411 1 29 ARG HB3 1 95 ALA MB . . 3.770 2.193 1.926 3.804 0.034 12 0 "[ . 1 . 2]" 1
412 1 29 ARG HB3 1 97 PRO HA . . 4.880 4.343 1.998 4.933 0.053 20 0 "[ . 1 . 2]" 1
413 1 29 ARG HD2 1 95 ALA MB . . 3.770 3.232 1.931 4.368 0.598 15 4 "[ . * 1 + *-2]" 1
414 1 29 ARG HD3 1 95 ALA MB . . 4.350 2.902 2.073 3.666 . 0 0 "[ . 1 . 2]" 1
415 1 29 ARG HD3 1 97 PRO HA . . 4.880 4.550 3.655 5.546 0.666 12 1 "[ . 1 + . 2]" 1
416 1 29 ARG HG2 1 30 VAL H . . 4.510 3.538 2.820 4.834 0.324 12 0 "[ . 1 . 2]" 1
417 1 29 ARG HG2 1 95 ALA MB . . 3.870 3.392 2.533 3.901 0.031 13 0 "[ . 1 . 2]" 1
418 1 29 ARG HG2 1 97 PRO HB3 . . 4.880 3.436 2.761 4.579 . 0 0 "[ . 1 . 2]" 1
419 1 29 ARG HG3 1 30 VAL H . . 4.750 4.176 3.210 4.716 . 0 0 "[ . 1 . 2]" 1
420 1 29 ARG HG3 1 97 PRO HA . . 4.240 2.706 1.989 4.847 0.607 12 1 "[ . 1 + . 2]" 1
421 1 30 VAL H 1 30 VAL HB . . 3.650 2.894 2.548 3.243 . 0 0 "[ . 1 . 2]" 1
422 1 30 VAL H 1 30 VAL QG . . 3.530 2.091 1.852 2.422 . 0 0 "[ . 1 . 2]" 1
423 1 30 VAL H 1 95 ALA MB . . 4.650 4.001 3.461 4.293 . 0 0 "[ . 1 . 2]" 1
424 1 30 VAL H 1 96 ILE H . . 3.750 2.281 1.883 2.767 . 0 0 "[ . 1 . 2]" 1
425 1 30 VAL H 1 96 ILE HB . . 5.220 4.905 4.442 5.251 0.031 2 0 "[ . 1 . 2]" 1
426 1 30 VAL H 1 96 ILE HG12 . . 4.880 3.815 2.853 4.389 . 0 0 "[ . 1 . 2]" 1
427 1 30 VAL H 1 96 ILE HG13 . . 4.540 2.832 1.994 3.574 . 0 0 "[ . 1 . 2]" 1
428 1 30 VAL H 1 97 PRO HA . . 4.620 4.093 3.755 4.429 . 0 0 "[ . 1 . 2]" 1
429 1 30 VAL H 1 98 LEU H . . 4.910 4.509 3.729 4.937 0.027 5 0 "[ . 1 . 2]" 1
430 1 30 VAL HA 1 31 PHE H . . 3.080 2.186 2.182 2.193 . 0 0 "[ . 1 . 2]" 1
431 1 30 VAL HA 1 31 PHE HB3 . . 4.880 4.195 4.108 4.326 . 0 0 "[ . 1 . 2]" 1
432 1 30 VAL HA 1 31 PHE QD . . 4.880 3.841 3.499 4.133 . 0 0 "[ . 1 . 2]" 1
433 1 30 VAL HA 1 47 LEU HA . . 3.450 2.744 2.269 3.114 . 0 0 "[ . 1 . 2]" 1
434 1 30 VAL HA 1 47 LEU QD . . 3.340 2.316 1.915 2.897 . 0 0 "[ . 1 . 2]" 1
435 1 30 VAL HA 1 48 LEU H . . 4.290 3.191 2.559 3.571 . 0 0 "[ . 1 . 2]" 1
436 1 30 VAL HB 1 31 PHE H . . 4.470 4.203 4.059 4.370 . 0 0 "[ . 1 . 2]" 1
437 1 30 VAL HB 1 35 ALA HA . . 5.220 3.498 1.981 5.176 . 0 0 "[ . 1 . 2]" 1
438 1 30 VAL HB 1 47 LEU QD . . 4.060 3.084 1.932 4.054 . 0 0 "[ . 1 . 2]" 1
439 1 30 VAL QG 1 31 PHE H . . 3.590 2.799 2.569 3.035 . 0 0 "[ . 1 . 2]" 1
440 1 30 VAL QG 1 31 PHE HA . . 4.350 3.754 3.382 4.206 . 0 0 "[ . 1 . 2]" 1
441 1 30 VAL QG 1 34 VAL HB . . 3.820 2.950 2.510 3.278 . 0 0 "[ . 1 . 2]" 1
442 1 30 VAL QG 1 35 ALA H . . 4.450 2.789 2.318 3.294 . 0 0 "[ . 1 . 2]" 1
443 1 30 VAL QG 1 35 ALA HA . . 3.450 2.133 1.788 2.573 . 0 0 "[ . 1 . 2]" 1
444 1 30 VAL QG 1 35 ALA MB . . 3.220 2.306 1.966 2.870 . 0 0 "[ . 1 . 2]" 1
445 1 30 VAL QG 1 46 ASP HB2 . . 4.880 4.505 4.151 4.812 . 0 0 "[ . 1 . 2]" 1
446 1 30 VAL QG 1 47 LEU HA . . 4.650 3.457 2.920 3.812 . 0 0 "[ . 1 . 2]" 1
447 1 30 VAL QG 1 47 LEU QB . . 4.880 4.120 3.704 4.440 . 0 0 "[ . 1 . 2]" 1
448 1 30 VAL QG 1 47 LEU QD . . 3.240 1.819 1.635 2.010 . 0 0 "[ . 1 . 2]" 1
449 1 30 VAL QG 1 96 ILE HB . . 4.880 4.379 3.918 4.768 . 0 0 "[ . 1 . 2]" 1
450 1 30 VAL QG 1 98 LEU H . . 4.580 3.857 3.198 4.484 . 0 0 "[ . 1 . 2]" 1
451 1 30 VAL QG 1 98 LEU HB2 . . 3.320 2.939 2.311 3.315 . 0 0 "[ . 1 . 2]" 1
452 1 30 VAL QG 1 98 LEU HB3 . . 3.990 3.697 3.025 4.038 0.048 8 0 "[ . 1 . 2]" 1
453 1 31 PHE H 1 31 PHE QD . . 3.610 2.473 2.042 2.776 . 0 0 "[ . 1 . 2]" 1
454 1 31 PHE H 1 32 GLY H . . 4.920 4.444 4.384 4.495 . 0 0 "[ . 1 . 2]" 1
455 1 31 PHE H 1 35 ALA MB . . 4.500 3.628 3.135 4.070 . 0 0 "[ . 1 . 2]" 1
456 1 31 PHE H 1 46 ASP HB2 . . 4.300 4.287 4.065 4.518 0.218 8 0 "[ . 1 . 2]" 1
457 1 31 PHE H 1 46 ASP HB3 . . 4.460 4.325 3.744 4.492 0.032 10 0 "[ . 1 . 2]" 1
458 1 31 PHE H 1 47 LEU HA . . 4.240 2.874 2.442 3.333 . 0 0 "[ . 1 . 2]" 1
459 1 31 PHE H 1 47 LEU QD . . 4.230 3.330 2.954 3.822 . 0 0 "[ . 1 . 2]" 1
460 1 31 PHE HA 1 31 PHE QD . . 4.240 3.688 3.631 3.744 . 0 0 "[ . 1 . 2]" 1
461 1 31 PHE HA 1 32 GLY HA2 . . 4.880 4.499 4.445 4.556 . 0 0 "[ . 1 . 2]" 1
462 1 31 PHE HA 1 35 ALA MB . . 3.240 2.499 2.099 2.769 . 0 0 "[ . 1 . 2]" 1
463 1 31 PHE HA 1 95 ALA MB . . 4.350 3.756 3.415 4.163 . 0 0 "[ . 1 . 2]" 1
464 1 31 PHE HB2 1 32 GLY H . . 3.410 3.238 3.022 3.451 0.041 10 0 "[ . 1 . 2]" 1
465 1 31 PHE HB2 1 35 ALA MB . . 4.650 4.469 4.011 4.733 0.083 7 0 "[ . 1 . 2]" 1
466 1 31 PHE HB2 1 91 VAL QG . . 4.060 2.181 1.928 2.523 . 0 0 "[ . 1 . 2]" 1
467 1 31 PHE HB2 1 94 GLU HB2 . . 4.650 2.583 2.131 2.741 . 0 0 "[ . 1 . 2]" 1
468 1 31 PHE HB2 1 94 GLU HB3 . . 4.650 3.646 3.114 3.952 . 0 0 "[ . 1 . 2]" 1
469 1 31 PHE HB2 1 94 GLU HG3 . . 4.650 4.586 3.974 4.887 0.237 5 0 "[ . 1 . 2]" 1
470 1 31 PHE HB2 1 95 ALA MB . . 4.240 3.052 2.522 3.608 . 0 0 "[ . 1 . 2]" 1
471 1 31 PHE HB3 1 35 ALA MB . . 4.650 4.544 4.325 4.678 0.028 20 0 "[ . 1 . 2]" 1
472 1 31 PHE HB3 1 91 VAL QG . . 4.140 2.593 2.126 2.991 . 0 0 "[ . 1 . 2]" 1
473 1 31 PHE HB3 1 94 GLU HB2 . . 4.880 4.164 3.637 4.313 . 0 0 "[ . 1 . 2]" 1
474 1 31 PHE HB3 1 94 GLU HB3 . . 5.220 5.037 4.617 5.256 0.036 14 0 "[ . 1 . 2]" 1
475 1 31 PHE HB3 1 95 ALA H . . 5.020 3.486 3.031 3.988 . 0 0 "[ . 1 . 2]" 1
476 1 31 PHE HB3 1 95 ALA MB . . 3.650 2.406 1.917 2.966 . 0 0 "[ . 1 . 2]" 1
477 1 31 PHE HB3 1 96 ILE H . . 5.220 4.390 4.037 4.688 . 0 0 "[ . 1 . 2]" 1
478 1 31 PHE QD 1 32 GLY H . . 3.530 3.455 2.995 3.568 0.038 20 0 "[ . 1 . 2]" 1
479 1 31 PHE QD 1 32 GLY HA2 . . 4.650 3.478 3.045 3.665 . 0 0 "[ . 1 . 2]" 1
480 1 31 PHE QD 1 32 GLY HA3 . . 4.350 3.698 3.151 4.239 . 0 0 "[ . 1 . 2]" 1
481 1 31 PHE QD 1 46 ASP HB3 . . 4.650 3.606 3.163 3.822 . 0 0 "[ . 1 . 2]" 1
482 1 31 PHE QD 1 47 LEU HA . . 4.240 3.016 2.711 3.782 . 0 0 "[ . 1 . 2]" 1
483 1 31 PHE QD 1 48 LEU H . . 3.620 2.143 1.937 2.729 . 0 0 "[ . 1 . 2]" 1
484 1 31 PHE QD 1 48 LEU HA . . 4.880 3.543 3.013 4.005 . 0 0 "[ . 1 . 2]" 1
485 1 31 PHE QD 1 48 LEU HB2 . . 3.770 2.165 1.972 2.528 . 0 0 "[ . 1 . 2]" 1
486 1 31 PHE QD 1 48 LEU HB3 . . 4.060 2.473 2.038 2.899 . 0 0 "[ . 1 . 2]" 1
487 1 31 PHE QD 1 48 LEU QD . . 4.480 3.531 3.140 3.876 . 0 0 "[ . 1 . 2]" 1
488 1 31 PHE QD 1 48 LEU HG . . 5.220 4.436 4.171 4.854 . 0 0 "[ . 1 . 2]" 1
489 1 31 PHE QD 1 91 VAL HA . . 4.880 3.509 2.848 4.051 . 0 0 "[ . 1 . 2]" 1
490 1 31 PHE QD 1 91 VAL QG . . 3.770 2.439 2.275 2.581 . 0 0 "[ . 1 . 2]" 1
491 1 31 PHE QD 1 95 ALA MB . . 4.240 3.842 3.205 4.283 0.043 20 0 "[ . 1 . 2]" 1
492 1 31 PHE QE 1 46 ASP HB2 . . 4.650 3.975 3.759 4.196 . 0 0 "[ . 1 . 2]" 1
493 1 31 PHE QE 1 46 ASP HB3 . . 4.480 2.789 2.585 3.008 . 0 0 "[ . 1 . 2]" 1
494 1 31 PHE QE 1 47 LEU H . . 4.660 3.119 2.384 3.922 . 0 0 "[ . 1 . 2]" 1
495 1 31 PHE QE 1 48 LEU H . . 4.650 3.509 2.868 4.233 . 0 0 "[ . 1 . 2]" 1
496 1 31 PHE QE 1 48 LEU HA . . 4.240 3.112 2.658 3.447 . 0 0 "[ . 1 . 2]" 1
497 1 31 PHE QE 1 48 LEU HB3 . . 4.650 4.056 3.483 4.748 0.098 15 0 "[ . 1 . 2]" 1
498 1 31 PHE QE 1 48 LEU QD . . 4.140 3.662 2.959 4.026 . 0 0 "[ . 1 . 2]" 1
499 1 31 PHE QE 1 78 VAL H . . 5.040 4.110 3.556 4.534 . 0 0 "[ . 1 . 2]" 1
500 1 31 PHE QE 1 78 VAL HB . . 3.820 2.467 1.984 2.924 . 0 0 "[ . 1 . 2]" 1
501 1 31 PHE QE 1 78 VAL MG1 . . 4.140 3.407 2.758 3.979 . 0 0 "[ . 1 . 2]" 1
502 1 31 PHE QE 1 78 VAL MG2 . . 3.730 2.825 2.241 3.449 . 0 0 "[ . 1 . 2]" 1
503 1 31 PHE QE 1 91 VAL QG . . 4.240 2.944 2.519 3.399 . 0 0 "[ . 1 . 2]" 1
504 1 31 PHE HZ 1 78 VAL HB . . 4.350 3.746 3.215 4.109 . 0 0 "[ . 1 . 2]" 1
505 1 31 PHE HZ 1 78 VAL MG1 . . 4.240 3.659 3.152 4.193 . 0 0 "[ . 1 . 2]" 1
506 1 31 PHE HZ 1 78 VAL MG2 . . 3.500 2.700 2.191 3.185 . 0 0 "[ . 1 . 2]" 1
507 1 32 GLY H 1 33 SER H . . 4.880 4.514 4.482 4.549 . 0 0 "[ . 1 . 2]" 1
508 1 32 GLY H 1 35 ALA MB . . 4.500 2.769 2.328 2.984 . 0 0 "[ . 1 . 2]" 1
509 1 32 GLY H 1 91 VAL QG . . 4.880 4.681 4.429 4.778 . 0 0 "[ . 1 . 2]" 1
510 1 32 GLY H 1 94 GLU HG3 . . 5.010 4.140 3.650 5.024 0.014 18 0 "[ . 1 . 2]" 1
511 1 32 GLY HA2 1 33 SER H . . 3.410 2.860 2.722 2.986 . 0 0 "[ . 1 . 2]" 1
512 1 32 GLY HA2 1 46 ASP HB2 . . 4.880 4.646 3.937 5.255 0.375 12 0 "[ . 1 . 2]" 1
513 1 33 SER QB 1 34 VAL QG . . 3.990 3.476 3.250 3.769 . 0 0 "[ . 1 . 2]" 1
514 1 33 SER QB 1 38 GLU H . . 4.550 3.534 3.214 3.879 . 0 0 "[ . 1 . 2]" 1
515 1 33 SER QB 1 38 GLU HB2 . . 4.480 2.394 1.917 4.209 . 0 0 "[ . 1 . 2]" 1
516 1 33 SER QB 1 38 GLU HB3 . . 3.820 2.579 2.167 2.919 . 0 0 "[ . 1 . 2]" 1
517 1 33 SER QB 1 38 GLU HG2 . . 4.880 4.326 2.995 4.754 . 0 0 "[ . 1 . 2]" 1
518 1 33 SER QB 1 39 ALA MB . . 4.650 4.113 3.226 4.514 . 0 0 "[ . 1 . 2]" 1
519 1 34 VAL H 1 34 VAL HB . . 3.550 2.960 2.249 3.523 . 0 0 "[ . 1 . 2]" 1
520 1 34 VAL H 1 34 VAL QG . . 3.190 1.976 1.811 2.391 . 0 0 "[ . 1 . 2]" 1
521 1 34 VAL H 1 35 ALA H . . 3.900 2.713 2.618 2.790 . 0 0 "[ . 1 . 2]" 1
522 1 34 VAL H 1 45 LEU QD . . 4.610 4.282 3.807 4.600 . 0 0 "[ . 1 . 2]" 1
523 1 34 VAL HA 1 34 VAL QG . . 3.110 2.175 2.067 2.260 . 0 0 "[ . 1 . 2]" 1
524 1 34 VAL HA 1 37 GLY H . . 4.480 3.100 2.797 3.426 . 0 0 "[ . 1 . 2]" 1
525 1 34 VAL HA 1 38 GLU H . . 4.570 2.303 2.055 2.915 . 0 0 "[ . 1 . 2]" 1
526 1 34 VAL HA 1 39 ALA H . . 4.950 4.940 4.757 5.034 0.084 7 0 "[ . 1 . 2]" 1
527 1 34 VAL HA 1 39 ALA MB . . 4.060 2.940 2.616 3.551 . 0 0 "[ . 1 . 2]" 1
528 1 34 VAL HB 1 35 ALA H . . 4.240 3.218 2.507 3.787 . 0 0 "[ . 1 . 2]" 1
529 1 34 VAL HB 1 35 ALA MB . . 4.880 4.473 3.875 4.912 0.032 3 0 "[ . 1 . 2]" 1
530 1 34 VAL HB 1 45 LEU HA . . 4.880 4.021 3.643 4.590 . 0 0 "[ . 1 . 2]" 1
531 1 34 VAL HB 1 45 LEU QD . . 3.240 2.345 1.832 2.921 . 0 0 "[ . 1 . 2]" 1
532 1 34 VAL HB 1 46 ASP H . . 3.990 3.807 3.318 4.049 0.059 19 0 "[ . 1 . 2]" 1
533 1 34 VAL QG 1 35 ALA H . . 4.720 2.611 1.847 3.421 . 0 0 "[ . 1 . 2]" 1
534 1 34 VAL QG 1 35 ALA HA . . 4.480 3.428 3.177 3.883 . 0 0 "[ . 1 . 2]" 1
535 1 34 VAL QG 1 39 ALA MB . . 3.690 1.948 1.696 2.186 . 0 0 "[ . 1 . 2]" 1
536 1 34 VAL QG 1 45 LEU HA . . 3.590 2.094 1.889 2.495 . 0 0 "[ . 1 . 2]" 1
537 1 34 VAL QG 1 45 LEU HB2 . . 3.500 3.125 2.735 3.572 0.072 16 0 "[ . 1 . 2]" 1
538 1 34 VAL QG 1 45 LEU HB3 . . 4.880 4.062 3.833 4.290 . 0 0 "[ . 1 . 2]" 1
539 1 34 VAL QG 1 45 LEU QD . . 2.700 1.720 1.578 1.979 . 0 0 "[ . 1 . 2]" 1
540 1 34 VAL QG 1 46 ASP H . . 4.350 2.159 1.748 3.079 . 0 0 "[ . 1 . 2]" 1
541 1 35 ALA H 1 35 ALA MB . . 3.470 2.062 1.936 2.161 . 0 0 "[ . 1 . 2]" 1
542 1 35 ALA H 1 36 ARG H . . 3.610 2.707 2.629 2.795 . 0 0 "[ . 1 . 2]" 1
543 1 35 ALA H 1 37 GLY H . . 4.890 3.847 3.751 3.982 . 0 0 "[ . 1 . 2]" 1
544 1 35 ALA HA 1 96 ILE MD . . 3.590 2.956 2.468 3.599 0.009 18 0 "[ . 1 . 2]" 1
545 1 35 ALA HA 1 96 ILE MG . . 4.650 4.623 4.410 4.684 0.034 16 0 "[ . 1 . 2]" 1
546 1 35 ALA MB 1 36 ARG H . . 3.820 2.755 2.602 2.901 . 0 0 "[ . 1 . 2]" 1
547 1 35 ALA MB 1 37 GLY H . . 5.070 4.239 4.109 4.358 . 0 0 "[ . 1 . 2]" 1
548 1 35 ALA MB 1 96 ILE H . . 4.540 3.359 3.021 3.797 . 0 0 "[ . 1 . 2]" 1
549 1 35 ALA MB 1 96 ILE MD . . 3.450 2.677 1.946 3.211 . 0 0 "[ . 1 . 2]" 1
550 1 35 ALA MB 1 96 ILE HG12 . . 3.870 1.953 1.794 2.225 . 0 0 "[ . 1 . 2]" 1
551 1 35 ALA MB 1 96 ILE HG13 . . 3.770 2.971 1.975 3.736 . 0 0 "[ . 1 . 2]" 1
552 1 35 ALA MB 1 96 ILE MG . . 3.930 2.611 2.314 2.912 . 0 0 "[ . 1 . 2]" 1
553 1 36 ARG H 1 36 ARG HG2 . . 3.590 3.724 3.070 4.353 0.763 19 5 "[ **. *1 . - +2]" 1
554 1 36 ARG HA 1 36 ARG HD2 . . 4.650 3.696 2.327 4.701 0.051 7 0 "[ . 1 . 2]" 1
555 1 36 ARG HA 1 36 ARG HG2 . . 3.090 2.279 2.061 2.694 . 0 0 "[ . 1 . 2]" 1
556 1 36 ARG HB2 1 36 ARG HD2 . . 4.060 3.523 3.064 4.088 0.028 2 0 "[ . 1 . 2]" 1
557 1 36 ARG HB2 1 37 GLY H . . 4.830 3.652 3.339 4.008 . 0 0 "[ . 1 . 2]" 1
558 1 37 GLY H 1 38 GLU H . . 3.420 2.257 2.012 2.580 . 0 0 "[ . 1 . 2]" 1
559 1 38 GLU H 1 38 GLU HB2 . . 4.050 2.682 2.352 3.443 . 0 0 "[ . 1 . 2]" 1
560 1 38 GLU H 1 38 GLU HB3 . . 3.610 3.490 2.474 3.760 0.150 1 0 "[ . 1 . 2]" 1
561 1 38 GLU H 1 38 GLU HG2 . . 3.860 3.909 2.772 4.726 0.866 7 8 "[ * **+* 1 *- * 2]" 1
562 1 38 GLU HA 1 38 GLU HG2 . . 3.470 2.717 2.161 3.956 0.486 12 0 "[ . 1 . 2]" 1
563 1 38 GLU HA 1 39 ALA H . . 3.130 2.224 2.214 2.248 . 0 0 "[ . 1 . 2]" 1
564 1 38 GLU HA 1 39 ALA MB . . 4.650 3.903 3.832 3.972 . 0 0 "[ . 1 . 2]" 1
565 1 38 GLU HB2 1 39 ALA H . . 4.280 4.333 3.975 4.458 0.178 15 0 "[ . 1 . 2]" 1
566 1 38 GLU HB3 1 39 ALA H . . 4.660 3.543 3.206 4.466 . 0 0 "[ . 1 . 2]" 1
567 1 38 GLU HG2 1 39 ALA H . . 4.640 4.418 3.842 4.689 0.049 7 0 "[ . 1 . 2]" 1
568 1 39 ALA H 1 39 ALA MB . . 3.180 2.899 2.694 2.994 . 0 0 "[ . 1 . 2]" 1
569 1 39 ALA HA 1 40 ARG H . . 3.030 2.286 2.188 2.835 . 0 0 "[ . 1 . 2]" 1
570 1 39 ALA MB 1 40 ARG H . . 3.790 3.336 2.064 3.723 . 0 0 "[ . 1 . 2]" 1
571 1 39 ALA MB 1 40 ARG HA . . 4.650 4.411 3.798 4.688 0.038 19 0 "[ . 1 . 2]" 1
572 1 39 ALA MB 1 43 SER HB2 . . 4.240 3.864 3.037 5.078 0.838 17 2 "[ . - 1 . + 2]" 1
573 1 40 ARG H 1 40 ARG QB . . 3.710 2.610 2.036 3.352 . 0 0 "[ . 1 . 2]" 1
574 1 40 ARG H 1 40 ARG HD2 . . 4.650 3.221 1.960 4.805 0.155 6 0 "[ . 1 . 2]" 1
575 1 40 ARG H 1 40 ARG HG2 . . 3.790 2.675 1.932 4.581 0.791 19 4 "[ - * 1 * . +2]" 1
576 1 40 ARG H 1 43 SER HB2 . . 3.470 2.700 2.071 3.559 0.089 9 0 "[ . 1 . 2]" 1
577 1 40 ARG HA 1 40 ARG HG2 . . 3.820 3.529 3.224 3.762 . 0 0 "[ . 1 . 2]" 1
578 1 40 ARG HA 1 41 GLU H . . 3.150 2.689 2.463 2.876 . 0 0 "[ . 1 . 2]" 1
579 1 40 ARG HA 1 42 ASP H . . 4.260 4.051 3.857 4.179 . 0 0 "[ . 1 . 2]" 1
580 1 40 ARG QB 1 40 ARG HD2 . . 3.870 2.439 1.953 3.311 . 0 0 "[ . 1 . 2]" 1
581 1 40 ARG QB 1 41 GLU H . . 3.330 2.189 1.895 3.064 . 0 0 "[ . 1 . 2]" 1
582 1 40 ARG QB 1 42 ASP H . . 3.770 2.408 1.943 3.191 . 0 0 "[ . 1 . 2]" 1
583 1 40 ARG QB 1 43 SER H . . 4.850 3.789 2.220 4.601 . 0 0 "[ . 1 . 2]" 1
584 1 40 ARG QB 1 43 SER HB2 . . 4.480 3.733 1.913 5.417 0.937 9 2 "[ . +1 .- 2]" 1
585 1 40 ARG HD2 1 40 ARG HG2 . . 2.900 2.807 2.595 3.035 0.135 2 0 "[ . 1 . 2]" 1
586 1 40 ARG HG2 1 41 GLU H . . 4.430 3.824 2.865 4.668 0.238 16 0 "[ . 1 . 2]" 1
587 1 40 ARG HG2 1 42 ASP H . . 3.870 2.855 1.950 3.988 0.118 8 0 "[ . 1 . 2]" 1
588 1 40 ARG HG2 1 43 SER H . . 5.070 3.274 1.962 4.594 . 0 0 "[ . 1 . 2]" 1
589 1 40 ARG HG2 1 43 SER HB2 . . 4.880 2.732 1.922 4.654 . 0 0 "[ . 1 . 2]" 1
590 1 41 GLU H 1 41 GLU QG . . 4.010 2.111 1.857 2.353 . 0 0 "[ . 1 . 2]" 1
591 1 41 GLU H 1 42 ASP H . . 3.770 2.531 2.360 2.760 . 0 0 "[ . 1 . 2]" 1
592 1 41 GLU HA 1 41 GLU QG . . 3.690 2.775 2.456 3.411 . 0 0 "[ . 1 . 2]" 1
593 1 41 GLU HA 1 42 ASP H . . 3.310 3.332 3.106 3.464 0.154 14 0 "[ . 1 . 2]" 1
594 1 41 GLU HA 1 43 SER H . . 4.590 3.734 3.519 4.087 . 0 0 "[ . 1 . 2]" 1
595 1 41 GLU HB2 1 42 ASP H . . 4.070 3.771 3.552 4.172 0.102 8 0 "[ . 1 . 2]" 1
596 1 41 GLU HB2 1 42 ASP HA . . 4.880 4.649 4.469 4.898 0.018 7 0 "[ . 1 . 2]" 1
597 1 41 GLU QG 1 42 ASP H . . 4.510 3.844 2.367 4.323 . 0 0 "[ . 1 . 2]" 1
598 1 42 ASP H 1 42 ASP HB2 . . 3.750 2.697 2.214 3.278 . 0 0 "[ . 1 . 2]" 1
599 1 42 ASP H 1 43 SER H . . 3.460 2.294 1.892 3.411 . 0 0 "[ . 1 . 2]" 1
600 1 42 ASP HA 1 43 SER H . . 3.440 3.105 2.603 3.393 . 0 0 "[ . 1 . 2]" 1
601 1 42 ASP HB2 1 43 SER H . . 4.450 4.298 3.393 4.711 0.261 14 0 "[ . 1 . 2]" 1
602 1 43 SER H 1 43 SER HB2 . . 3.420 2.799 2.185 3.737 0.317 9 0 "[ . 1 . 2]" 1
603 1 43 SER HA 1 44 ASP H . . 2.920 2.625 2.424 3.186 0.266 8 0 "[ . 1 . 2]" 1
604 1 43 SER HB2 1 44 ASP H . . 3.880 3.612 2.138 4.559 0.679 8 1 "[ . + 1 . 2]" 1
605 1 44 ASP HA 1 74 ARG QB . . 4.060 3.572 2.516 3.987 . 0 0 "[ . 1 . 2]" 1
606 1 44 ASP HB2 1 45 LEU H . . 3.820 2.559 2.111 3.760 . 0 0 "[ . 1 . 2]" 1
607 1 44 ASP HB3 1 45 LEU H . . 3.820 3.225 1.950 3.854 0.034 8 0 "[ . 1 . 2]" 1
608 1 44 ASP HB3 1 74 ARG QB . . 4.880 4.245 3.582 5.444 0.564 4 1 "[ +. 1 . 2]" 1
609 1 45 LEU H 1 45 LEU HB2 . . 4.130 3.059 2.601 3.340 . 0 0 "[ . 1 . 2]" 1
610 1 45 LEU H 1 45 LEU HB3 . . 3.890 2.446 2.209 2.908 . 0 0 "[ . 1 . 2]" 1
611 1 45 LEU H 1 45 LEU QD . . 4.700 3.593 3.159 3.890 . 0 0 "[ . 1 . 2]" 1
612 1 45 LEU H 1 75 VAL MG1 . . 4.730 4.486 3.926 4.747 0.017 4 0 "[ . 1 . 2]" 1
613 1 45 LEU H 1 76 ASP H . . 4.910 3.015 2.528 3.462 . 0 0 "[ . 1 . 2]" 1
614 1 45 LEU HA 1 45 LEU QD . . 3.180 2.157 1.964 2.771 . 0 0 "[ . 1 . 2]" 1
615 1 45 LEU HA 1 45 LEU HG . . 4.140 3.483 2.687 3.903 . 0 0 "[ . 1 . 2]" 1
616 1 45 LEU HA 1 46 ASP H . . 3.170 2.181 2.177 2.207 . 0 0 "[ . 1 . 2]" 1
617 1 45 LEU HB2 1 46 ASP H . . 4.880 4.297 4.014 4.551 . 0 0 "[ . 1 . 2]" 1
618 1 45 LEU HB3 1 76 ASP H . . 5.040 2.837 2.383 3.392 . 0 0 "[ . 1 . 2]" 1
619 1 45 LEU QD 1 46 ASP H . . 3.560 2.364 1.921 3.391 . 0 0 "[ . 1 . 2]" 1
620 1 45 LEU QD 1 47 LEU QD . . 2.890 1.742 1.600 2.041 . 0 0 "[ . 1 . 2]" 1
621 1 45 LEU HG 1 46 ASP H . . 4.830 4.319 2.943 4.856 0.026 13 0 "[ . 1 . 2]" 1
622 1 45 LEU HG 1 47 LEU QD . . 3.820 2.864 1.915 3.694 . 0 0 "[ . 1 . 2]" 1
623 1 46 ASP H 1 46 ASP HB2 . . 4.060 2.361 2.112 2.426 . 0 0 "[ . 1 . 2]" 1
624 1 46 ASP HA 1 47 LEU H . . 3.010 2.257 2.251 2.282 . 0 0 "[ . 1 . 2]" 1
625 1 46 ASP HA 1 47 LEU HA . . 4.650 4.437 4.430 4.455 . 0 0 "[ . 1 . 2]" 1
626 1 46 ASP HB3 1 47 LEU H . . 4.880 3.529 3.252 3.745 . 0 0 "[ . 1 . 2]" 1
627 1 47 LEU H 1 47 LEU QB . . 3.710 2.560 2.486 2.688 . 0 0 "[ . 1 . 2]" 1
628 1 47 LEU H 1 47 LEU QD . . 4.420 3.557 3.240 3.745 . 0 0 "[ . 1 . 2]" 1
629 1 47 LEU H 1 47 LEU HG . . 5.310 4.167 2.880 4.786 . 0 0 "[ . 1 . 2]" 1
630 1 47 LEU H 1 77 ILE MG . . 4.880 4.715 4.494 4.961 0.081 8 0 "[ . 1 . 2]" 1
631 1 47 LEU H 1 78 VAL H . . 4.630 3.759 3.368 4.282 . 0 0 "[ . 1 . 2]" 1
632 1 47 LEU HA 1 47 LEU QD . . 3.120 2.133 1.950 2.400 . 0 0 "[ . 1 . 2]" 1
633 1 47 LEU HA 1 47 LEU HG . . 4.240 2.668 2.366 3.135 . 0 0 "[ . 1 . 2]" 1
634 1 47 LEU HA 1 48 LEU H . . 2.930 2.189 2.185 2.200 . 0 0 "[ . 1 . 2]" 1
635 1 47 LEU HA 1 48 LEU HB3 . . 4.650 4.447 4.325 4.651 0.001 8 0 "[ . 1 . 2]" 1
636 1 47 LEU QB 1 48 LEU H . . 4.350 3.483 3.195 3.699 . 0 0 "[ . 1 . 2]" 1
637 1 47 LEU QB 1 49 VAL MG1 . . 4.480 3.377 3.025 3.520 . 0 0 "[ . 1 . 2]" 1
638 1 47 LEU QB 1 49 VAL MG2 . . 4.240 3.208 2.950 3.670 . 0 0 "[ . 1 . 2]" 1
639 1 47 LEU QB 1 77 ILE MG . . 3.820 3.420 3.188 3.616 . 0 0 "[ . 1 . 2]" 1
640 1 47 LEU QB 1 78 VAL H . . 5.220 3.682 3.380 4.050 . 0 0 "[ . 1 . 2]" 1
641 1 47 LEU QD 1 48 LEU H . . 4.060 3.607 3.397 3.807 . 0 0 "[ . 1 . 2]" 1
642 1 47 LEU QD 1 49 VAL MG1 . . 4.240 3.414 2.503 3.962 . 0 0 "[ . 1 . 2]" 1
643 1 47 LEU QD 1 77 ILE MD . . 3.870 3.734 3.449 3.868 . 0 0 "[ . 1 . 2]" 1
644 1 47 LEU QD 1 77 ILE HG12 . . 4.650 3.159 2.734 3.454 . 0 0 "[ . 1 . 2]" 1
645 1 47 LEU QD 1 77 ILE HG13 . . 4.880 4.306 3.342 4.707 . 0 0 "[ . 1 . 2]" 1
646 1 47 LEU QD 1 77 ILE MG . . 4.350 4.046 3.565 4.272 . 0 0 "[ . 1 . 2]" 1
647 1 48 LEU H 1 48 LEU HB2 . . 3.720 2.921 2.756 3.074 . 0 0 "[ . 1 . 2]" 1
648 1 48 LEU H 1 48 LEU HB3 . . 3.610 2.378 2.283 2.559 . 0 0 "[ . 1 . 2]" 1
649 1 48 LEU H 1 48 LEU QD . . 4.640 3.695 3.382 3.831 . 0 0 "[ . 1 . 2]" 1
650 1 48 LEU H 1 49 VAL MG1 . . 5.110 4.178 3.924 4.379 . 0 0 "[ . 1 . 2]" 1
651 1 48 LEU H 1 49 VAL MG2 . . 5.260 4.472 4.147 4.791 . 0 0 "[ . 1 . 2]" 1
652 1 48 LEU HA 1 48 LEU QD . . 3.140 2.042 1.890 2.268 . 0 0 "[ . 1 . 2]" 1
653 1 48 LEU HA 1 48 LEU HG . . 4.140 3.489 3.330 3.775 . 0 0 "[ . 1 . 2]" 1
654 1 48 LEU HA 1 49 VAL H . . 3.130 2.179 2.176 2.180 . 0 0 "[ . 1 . 2]" 1
655 1 48 LEU HA 1 49 VAL HA . . 4.880 4.367 4.364 4.374 . 0 0 "[ . 1 . 2]" 1
656 1 48 LEU HA 1 49 VAL MG2 . . 4.650 3.385 3.242 3.506 . 0 0 "[ . 1 . 2]" 1
657 1 48 LEU HA 1 77 ILE MG . . 4.880 4.273 3.892 4.635 . 0 0 "[ . 1 . 2]" 1
658 1 48 LEU HA 1 78 VAL H . . 4.140 3.069 2.847 3.407 . 0 0 "[ . 1 . 2]" 1
659 1 48 LEU HA 1 78 VAL HB . . 3.870 2.546 2.280 2.859 . 0 0 "[ . 1 . 2]" 1
660 1 48 LEU HA 1 78 VAL MG1 . . 4.650 3.042 2.373 3.459 . 0 0 "[ . 1 . 2]" 1
661 1 48 LEU HA 1 78 VAL MG2 . . 4.480 4.142 3.945 4.415 . 0 0 "[ . 1 . 2]" 1
662 1 48 LEU HB2 1 78 VAL MG1 . . 4.880 3.528 2.799 4.340 . 0 0 "[ . 1 . 2]" 1
663 1 48 LEU HB2 1 91 VAL QG . . 4.350 2.582 2.245 3.244 . 0 0 "[ . 1 . 2]" 1
664 1 48 LEU HB3 1 95 ALA MB . . 3.930 3.100 2.453 3.408 . 0 0 "[ . 1 . 2]" 1
665 1 48 LEU QD 1 49 VAL H . . 3.650 2.289 2.156 2.486 . 0 0 "[ . 1 . 2]" 1
666 1 48 LEU QD 1 49 VAL MG1 . . 4.480 4.189 3.686 4.420 . 0 0 "[ . 1 . 2]" 1
667 1 48 LEU QD 1 49 VAL MG2 . . 4.350 3.613 3.410 3.852 . 0 0 "[ . 1 . 2]" 1
668 1 48 LEU QD 1 78 VAL H . . 4.870 4.007 3.597 4.415 . 0 0 "[ . 1 . 2]" 1
669 1 48 LEU QD 1 78 VAL HB . . 3.930 2.988 2.628 3.588 . 0 0 "[ . 1 . 2]" 1
670 1 48 LEU QD 1 78 VAL MG1 . . 3.220 1.941 1.830 2.097 . 0 0 "[ . 1 . 2]" 1
671 1 48 LEU QD 1 78 VAL MG2 . . 4.060 3.978 3.855 4.043 . 0 0 "[ . 1 . 2]" 1
672 1 48 LEU QD 1 79 SER H . . 5.290 4.083 3.707 4.454 . 0 0 "[ . 1 . 2]" 1
673 1 48 LEU QD 1 79 SER HA . . 4.350 3.274 2.775 3.693 . 0 0 "[ . 1 . 2]" 1
674 1 48 LEU QD 1 80 GLU H . . 3.990 2.600 2.109 2.893 . 0 0 "[ . 1 . 2]" 1
675 1 48 LEU QD 1 80 GLU HA . . 3.120 2.213 1.961 2.471 . 0 0 "[ . 1 . 2]" 1
676 1 48 LEU QD 1 80 GLU HB2 . . 4.350 3.499 3.134 4.073 . 0 0 "[ . 1 . 2]" 1
677 1 48 LEU QD 1 80 GLU HB3 . . 4.240 3.771 3.403 4.001 . 0 0 "[ . 1 . 2]" 1
678 1 48 LEU QD 1 80 GLU HG2 . . 3.560 2.085 1.842 2.818 . 0 0 "[ . 1 . 2]" 1
679 1 48 LEU QD 1 80 GLU HG3 . . 4.240 2.089 1.742 3.106 . 0 0 "[ . 1 . 2]" 1
680 1 48 LEU QD 1 91 VAL HB . . 4.880 3.279 2.479 4.092 . 0 0 "[ . 1 . 2]" 1
681 1 48 LEU QD 1 91 VAL QG . . 3.220 2.049 1.632 2.768 . 0 0 "[ . 1 . 2]" 1
682 1 48 LEU QD 1 92 LEU H . . 5.160 4.226 3.596 4.908 . 0 0 "[ . 1 . 2]" 1
683 1 48 LEU QD 1 92 LEU HA . . 4.350 3.735 2.543 4.319 . 0 0 "[ . 1 . 2]" 1
684 1 48 LEU QD 1 92 LEU MD2 . . 3.240 2.453 1.794 2.936 . 0 0 "[ . 1 . 2]" 1
685 1 48 LEU QD 1 95 ALA MB . . 3.400 2.738 1.875 3.320 . 0 0 "[ . 1 . 2]" 1
686 1 48 LEU HG 1 49 VAL H . . 5.220 4.303 3.660 4.977 . 0 0 "[ . 1 . 2]" 1
687 1 48 LEU HG 1 80 GLU HG2 . . 4.650 3.586 2.603 4.657 0.007 4 0 "[ . 1 . 2]" 1
688 1 48 LEU HG 1 80 GLU HG3 . . 4.880 3.412 2.078 4.165 . 0 0 "[ . 1 . 2]" 1
689 1 49 VAL H 1 49 VAL MG1 . . 4.650 3.396 3.224 3.509 . 0 0 "[ . 1 . 2]" 1
690 1 49 VAL H 1 49 VAL MG2 . . 4.240 1.996 1.879 2.155 . 0 0 "[ . 1 . 2]" 1
691 1 49 VAL H 1 78 VAL HA . . 4.880 4.864 4.732 4.962 0.082 8 0 "[ . 1 . 2]" 1
692 1 49 VAL H 1 78 VAL HB . . 4.880 3.905 3.663 4.315 . 0 0 "[ . 1 . 2]" 1
693 1 49 VAL H 1 79 SER HA . . 4.060 3.301 3.034 3.655 . 0 0 "[ . 1 . 2]" 1
694 1 49 VAL HA 1 50 ALA H . . 3.530 2.394 2.210 2.426 . 0 0 "[ . 1 . 2]" 1
695 1 49 VAL HA 1 50 ALA MB . . 4.480 3.817 3.755 3.853 . 0 0 "[ . 1 . 2]" 1
696 1 49 VAL HB 1 50 ALA H . . 3.770 2.729 2.592 3.373 . 0 0 "[ . 1 . 2]" 1
697 1 49 VAL HB 1 51 PHE QE . . 4.480 4.152 3.827 4.266 . 0 0 "[ . 1 . 2]" 1
698 1 49 VAL HB 1 77 ILE MG . . 4.060 3.785 3.641 3.976 . 0 0 "[ . 1 . 2]" 1
699 1 49 VAL HB 1 79 SER HA . . 4.880 4.961 4.885 5.061 0.181 10 0 "[ . 1 . 2]" 1
700 1 49 VAL MG1 1 50 ALA H . . 4.240 3.387 3.234 3.641 . 0 0 "[ . 1 . 2]" 1
701 1 49 VAL MG1 1 51 PHE QE . . 4.880 4.865 4.578 4.978 0.098 7 0 "[ . 1 . 2]" 1
702 1 49 VAL MG2 1 50 ALA H . . 5.220 4.000 3.747 4.328 . 0 0 "[ . 1 . 2]" 1
703 1 49 VAL MG2 1 51 PHE QE . . 4.480 2.873 2.422 3.469 . 0 0 "[ . 1 . 2]" 1
704 1 49 VAL MG2 1 51 PHE HZ . . 4.650 3.197 2.861 3.678 . 0 0 "[ . 1 . 2]" 1
705 1 49 VAL MG2 1 77 ILE MD . . 4.350 3.081 2.814 3.416 . 0 0 "[ . 1 . 2]" 1
706 1 49 VAL MG2 1 77 ILE MG . . 3.430 1.671 1.598 1.782 . 0 0 "[ . 1 . 2]" 1
707 1 49 VAL MG2 1 79 SER HA . . 4.350 3.290 2.956 3.643 . 0 0 "[ . 1 . 2]" 1
708 1 50 ALA HA 1 51 PHE H . . 3.290 2.190 2.187 2.205 . 0 0 "[ . 1 . 2]" 1
709 1 50 ALA HA 1 51 PHE HA . . 4.650 4.363 4.351 4.367 . 0 0 "[ . 1 . 2]" 1
710 1 50 ALA HA 1 80 GLU H . . 4.200 2.838 2.598 3.255 . 0 0 "[ . 1 . 2]" 1
711 1 50 ALA HA 1 80 GLU HB2 . . 4.650 3.169 2.686 3.760 . 0 0 "[ . 1 . 2]" 1
712 1 50 ALA HA 1 80 GLU HG3 . . 5.220 4.042 2.979 5.060 . 0 0 "[ . 1 . 2]" 1
713 1 50 ALA MB 1 51 PHE H . . 3.930 3.282 3.162 3.317 . 0 0 "[ . 1 . 2]" 1
714 1 50 ALA MB 1 80 GLU H . . 5.160 3.393 2.988 3.679 . 0 0 "[ . 1 . 2]" 1
715 1 50 ALA MB 1 80 GLU HB2 . . 4.480 2.515 1.980 3.084 . 0 0 "[ . 1 . 2]" 1
716 1 50 ALA MB 1 80 GLU HB3 . . 4.880 3.696 3.160 4.232 . 0 0 "[ . 1 . 2]" 1
717 1 50 ALA MB 1 80 GLU HG2 . . 4.650 4.038 3.463 4.564 . 0 0 "[ . 1 . 2]" 1
718 1 50 ALA MB 1 80 GLU HG3 . . 4.880 2.830 2.020 4.157 . 0 0 "[ . 1 . 2]" 1
719 1 51 PHE H 1 51 PHE HB2 . . 3.830 2.303 2.124 2.684 . 0 0 "[ . 1 . 2]" 1
720 1 51 PHE H 1 51 PHE HB3 . . 4.060 3.497 3.432 3.531 . 0 0 "[ . 1 . 2]" 1
721 1 51 PHE H 1 51 PHE QD . . 4.240 2.305 1.836 2.970 . 0 0 "[ . 1 . 2]" 1
722 1 51 PHE HA 1 51 PHE QD . . 3.820 2.969 2.378 3.209 . 0 0 "[ . 1 . 2]" 1
723 1 51 PHE HA 1 52 GLU H . . 2.940 2.211 2.193 2.289 . 0 0 "[ . 1 . 2]" 1
724 1 51 PHE HA 1 52 GLU QB . . 4.650 4.416 4.175 4.587 . 0 0 "[ . 1 . 2]" 1
725 1 51 PHE HA 1 52 GLU QG . . 4.650 3.841 3.535 4.359 . 0 0 "[ . 1 . 2]" 1
726 1 51 PHE HA 1 55 ARG QG . . 4.650 3.415 3.059 4.253 . 0 0 "[ . 1 . 2]" 1
727 1 51 PHE HB2 1 52 GLU H . . 4.480 4.293 3.739 4.508 0.028 20 0 "[ . 1 . 2]" 1
728 1 51 PHE HB2 1 55 ARG HB2 . . 4.140 3.763 2.931 4.311 0.171 13 0 "[ . 1 . 2]" 1
729 1 51 PHE HB2 1 55 ARG HB3 . . 4.880 4.716 3.911 5.218 0.338 19 0 "[ . 1 . 2]" 1
730 1 51 PHE HB3 1 52 GLU H . . 4.060 3.458 3.145 3.677 . 0 0 "[ . 1 . 2]" 1
731 1 51 PHE HB3 1 55 ARG HB2 . . 3.820 2.470 1.987 3.424 . 0 0 "[ . 1 . 2]" 1
732 1 51 PHE HB3 1 55 ARG QG . . 4.480 2.438 1.747 3.520 . 0 0 "[ . 1 . 2]" 1
733 1 51 PHE QD 1 52 GLU H . . 4.620 4.319 3.964 4.732 0.112 16 0 "[ . 1 . 2]" 1
734 1 51 PHE QD 1 55 ARG HB2 . . 4.650 3.481 2.760 4.201 . 0 0 "[ . 1 . 2]" 1
735 1 51 PHE QD 1 55 ARG HB3 . . 4.650 3.266 2.133 4.519 . 0 0 "[ . 1 . 2]" 1
736 1 51 PHE QD 1 55 ARG QG . . 4.140 3.032 2.440 3.717 . 0 0 "[ . 1 . 2]" 1
737 1 51 PHE QD 1 79 SER HA . . 4.880 3.650 3.085 4.507 . 0 0 "[ . 1 . 2]" 1
738 1 51 PHE QD 1 79 SER HB2 . . 3.820 2.920 2.292 3.411 . 0 0 "[ . 1 . 2]" 1
739 1 51 PHE QD 1 79 SER HB3 . . 4.060 2.962 2.011 4.065 0.005 15 0 "[ . 1 . 2]" 1
740 1 51 PHE QE 1 60 HIS HA . . 3.820 2.850 2.311 3.464 . 0 0 "[ . 1 . 2]" 1
741 1 51 PHE QE 1 63 LEU QD . . 3.990 2.205 1.767 2.948 . 0 0 "[ . 1 . 2]" 1
742 1 51 PHE QE 1 77 ILE MG . . 3.820 2.906 2.288 3.414 . 0 0 "[ . 1 . 2]" 1
743 1 51 PHE QE 1 79 SER HA . . 4.880 3.463 2.634 4.157 . 0 0 "[ . 1 . 2]" 1
744 1 51 PHE QE 1 79 SER HB2 . . 4.240 3.742 1.992 4.248 0.008 6 0 "[ . 1 . 2]" 1
745 1 51 PHE QE 1 79 SER HB3 . . 4.140 2.658 1.981 3.620 . 0 0 "[ . 1 . 2]" 1
746 1 51 PHE HZ 1 60 HIS HA . . 3.310 2.860 2.144 3.336 0.026 19 0 "[ . 1 . 2]" 1
747 1 51 PHE HZ 1 63 LEU HB2 . . 4.880 4.200 3.471 4.960 0.080 15 0 "[ . 1 . 2]" 1
748 1 51 PHE HZ 1 63 LEU HB3 . . 5.220 3.475 2.784 4.014 . 0 0 "[ . 1 . 2]" 1
749 1 51 PHE HZ 1 63 LEU QD . . 3.770 2.757 2.089 3.614 . 0 0 "[ . 1 . 2]" 1
750 1 51 PHE HZ 1 77 ILE MD . . 4.880 3.502 2.945 4.099 . 0 0 "[ . 1 . 2]" 1
751 1 51 PHE HZ 1 77 ILE MG . . 3.730 2.596 1.979 3.128 . 0 0 "[ . 1 . 2]" 1
752 1 52 GLU H 1 52 GLU QB . . 3.400 2.559 2.362 2.782 . 0 0 "[ . 1 . 2]" 1
753 1 52 GLU H 1 52 GLU QG . . 3.450 2.040 1.882 2.488 . 0 0 "[ . 1 . 2]" 1
754 1 52 GLU H 1 53 GLU H . . 4.720 4.434 4.131 4.656 . 0 0 "[ . 1 . 2]" 1
755 1 52 GLU H 1 55 ARG QG . . 4.670 2.975 2.413 3.773 . 0 0 "[ . 1 . 2]" 1
756 1 52 GLU HA 1 52 GLU QG . . 3.620 3.058 2.221 3.416 . 0 0 "[ . 1 . 2]" 1
757 1 52 GLU HA 1 53 GLU H . . 2.970 2.844 2.490 3.137 0.167 7 0 "[ . 1 . 2]" 1
758 1 52 GLU QB 1 53 GLU H . . 3.520 2.002 1.838 2.483 . 0 0 "[ . 1 . 2]" 1
759 1 52 GLU QG 1 53 GLU H . . 4.650 3.335 1.893 4.254 . 0 0 "[ . 1 . 2]" 1
760 1 52 GLU QG 1 55 ARG QG . . 4.350 3.459 2.138 4.035 . 0 0 "[ . 1 . 2]" 1
761 1 53 GLU H 1 53 GLU HB2 . . 3.030 2.757 2.090 3.590 0.560 6 1 "[ .+ 1 . 2]" 1
762 1 53 GLU H 1 53 GLU QG . . 3.790 3.025 1.968 3.795 0.005 10 0 "[ . 1 . 2]" 1
763 1 53 GLU HA 1 53 GLU QG . . 3.820 2.465 2.020 3.367 . 0 0 "[ . 1 . 2]" 1
764 1 53 GLU HA 1 54 GLY H . . 3.070 2.625 2.205 3.287 0.217 13 0 "[ . 1 . 2]" 1
765 1 53 GLU HA 1 54 GLY HA2 . . 4.880 4.499 4.385 4.622 . 0 0 "[ . 1 . 2]" 1
766 1 53 GLU HB2 1 54 GLY H . . 3.950 3.763 2.909 4.666 0.716 20 1 "[ . 1 . +]" 1
767 1 53 GLU QG 1 54 GLY H . . 4.450 3.279 1.887 4.310 . 0 0 "[ . 1 . 2]" 1
768 1 54 GLY H 1 55 ARG H . . 3.740 2.835 1.996 3.997 0.257 16 0 "[ . 1 . 2]" 1
769 1 55 ARG H 1 55 ARG HB2 . . 3.330 2.857 2.320 3.573 0.243 15 0 "[ . 1 . 2]" 1
770 1 55 ARG H 1 55 ARG HB3 . . 4.060 3.545 2.575 3.831 . 0 0 "[ . 1 . 2]" 1
771 1 55 ARG H 1 55 ARG QD . . 4.350 3.248 1.785 4.091 . 0 0 "[ . 1 . 2]" 1
772 1 55 ARG H 1 55 ARG QG . . 3.490 2.252 1.937 2.641 . 0 0 "[ . 1 . 2]" 1
773 1 55 ARG HA 1 55 ARG QD . . 3.530 2.683 1.969 3.892 0.362 13 0 "[ . 1 . 2]" 1
774 1 55 ARG HA 1 56 THR H . . 3.470 2.375 2.241 2.490 . 0 0 "[ . 1 . 2]" 1
775 1 55 ARG HB2 1 56 THR H . . 4.570 3.555 2.623 4.340 . 0 0 "[ . 1 . 2]" 1
776 1 55 ARG HB2 1 59 ASP HB2 . . 4.650 4.224 2.629 5.384 0.734 4 1 "[ +. 1 . 2]" 1
777 1 55 ARG HB3 1 56 THR H . . 4.070 3.151 2.561 3.932 . 0 0 "[ . 1 . 2]" 1
778 1 55 ARG HB3 1 59 ASP HB2 . . 4.140 3.331 2.730 4.269 0.129 7 0 "[ . 1 . 2]" 1
779 1 55 ARG QD 1 56 THR H . . 4.330 3.755 2.814 4.458 0.128 19 0 "[ . 1 . 2]" 1
780 1 56 THR H 1 56 THR MG . . 3.590 2.786 2.305 3.204 . 0 0 "[ . 1 . 2]" 1
781 1 56 THR H 1 59 ASP H . . 4.220 3.180 2.731 3.812 . 0 0 "[ . 1 . 2]" 1
782 1 56 THR H 1 59 ASP HB2 . . 4.060 2.670 1.920 3.376 . 0 0 "[ . 1 . 2]" 1
783 1 56 THR HB 1 57 LEU H . . 3.330 2.453 2.300 2.925 . 0 0 "[ . 1 . 2]" 1
784 1 56 THR HB 1 58 LEU H . . 3.930 2.823 2.522 3.286 . 0 0 "[ . 1 . 2]" 1
785 1 56 THR MG 1 57 LEU H . . 4.310 3.804 3.574 3.994 . 0 0 "[ . 1 . 2]" 1
786 1 56 THR MG 1 58 LEU H . . 4.560 4.267 4.177 4.440 . 0 0 "[ . 1 . 2]" 1
787 1 56 THR MG 1 59 ASP H . . 4.960 4.586 4.250 4.948 . 0 0 "[ . 1 . 2]" 1
788 1 57 LEU H 1 57 LEU HB2 . . 4.000 2.011 1.977 2.195 . 0 0 "[ . 1 . 2]" 1
789 1 57 LEU H 1 57 LEU HB3 . . 4.140 3.122 2.711 3.368 . 0 0 "[ . 1 . 2]" 1
790 1 57 LEU H 1 57 LEU QD . . 4.830 2.926 2.471 3.517 . 0 0 "[ . 1 . 2]" 1
791 1 57 LEU H 1 58 LEU H . . 4.000 2.670 2.555 2.728 . 0 0 "[ . 1 . 2]" 1
792 1 57 LEU HA 1 57 LEU QD . . 3.380 2.034 1.895 2.649 . 0 0 "[ . 1 . 2]" 1
793 1 57 LEU HA 1 60 HIS H . . 3.870 2.934 2.861 3.070 . 0 0 "[ . 1 . 2]" 1
794 1 57 LEU HA 1 60 HIS HB2 . . 3.770 2.248 2.125 2.387 . 0 0 "[ . 1 . 2]" 1
795 1 57 LEU HA 1 60 HIS HB3 . . 3.770 3.774 3.711 3.842 0.072 19 0 "[ . 1 . 2]" 1
796 1 57 LEU HA 1 61 ALA H . . 4.650 3.939 3.604 4.372 . 0 0 "[ . 1 . 2]" 1
797 1 57 LEU QD 1 58 LEU H . . 5.090 4.055 3.705 4.379 . 0 0 "[ . 1 . 2]" 1
798 1 57 LEU QD 1 60 HIS HB2 . . 4.880 2.301 1.945 3.479 . 0 0 "[ . 1 . 2]" 1
799 1 57 LEU QD 1 60 HIS HB3 . . 4.480 3.048 2.668 4.232 . 0 0 "[ . 1 . 2]" 1
800 1 57 LEU QD 1 60 HIS HE1 . . 4.350 3.671 2.915 4.182 . 0 0 "[ . 1 . 2]" 1
801 1 57 LEU QD 1 61 ALA H . . 4.910 3.338 2.429 4.267 . 0 0 "[ . 1 . 2]" 1
802 1 58 LEU H 1 58 LEU HB2 . . 3.410 1.990 1.977 2.125 . 0 0 "[ . 1 . 2]" 1
803 1 58 LEU H 1 58 LEU HB3 . . 3.210 3.164 2.797 3.301 0.091 17 0 "[ . 1 . 2]" 1
804 1 58 LEU H 1 58 LEU MD1 . . 4.500 3.954 3.015 4.256 . 0 0 "[ . 1 . 2]" 1
805 1 58 LEU H 1 58 LEU MD2 . . 4.720 3.218 2.655 4.428 . 0 0 "[ . 1 . 2]" 1
806 1 58 LEU H 1 59 ASP H . . 3.420 2.753 2.639 2.786 . 0 0 "[ . 1 . 2]" 1
807 1 58 LEU HA 1 58 LEU MD1 . . 3.400 2.432 1.971 3.410 0.010 10 0 "[ . 1 . 2]" 1
808 1 58 LEU HA 1 58 LEU MD2 . . 3.190 2.425 2.005 3.376 0.186 19 0 "[ . 1 . 2]" 1
809 1 58 LEU HA 1 61 ALA H . . 3.820 3.567 3.445 3.621 . 0 0 "[ . 1 . 2]" 1
810 1 58 LEU HB2 1 58 LEU MD2 . . 3.210 2.452 2.175 3.038 . 0 0 "[ . 1 . 2]" 1
811 1 58 LEU HB2 1 59 ASP H . . 4.350 3.286 3.116 3.694 . 0 0 "[ . 1 . 2]" 1
812 1 58 LEU HB3 1 58 LEU MD1 . . 2.970 2.499 2.295 3.012 0.042 19 0 "[ . 1 . 2]" 1
813 1 58 LEU HB3 1 59 ASP H . . 4.350 2.971 2.718 3.132 . 0 0 "[ . 1 . 2]" 1
814 1 59 ASP H 1 59 ASP HB2 . . 3.380 2.268 2.005 2.387 . 0 0 "[ . 1 . 2]" 1
815 1 59 ASP H 1 59 ASP HB3 . . 3.950 3.437 2.718 3.541 . 0 0 "[ . 1 . 2]" 1
816 1 59 ASP H 1 61 ALA H . . 4.930 4.268 4.031 4.438 . 0 0 "[ . 1 . 2]" 1
817 1 59 ASP HA 1 62 ARG H . . 4.620 3.282 3.223 3.452 . 0 0 "[ . 1 . 2]" 1
818 1 59 ASP HA 1 62 ARG HB2 . . 4.880 2.214 1.978 2.732 . 0 0 "[ . 1 . 2]" 1
819 1 59 ASP HA 1 62 ARG HB3 . . 4.140 3.667 3.251 4.318 0.178 14 0 "[ . 1 . 2]" 1
820 1 59 ASP HB2 1 60 HIS HD2 . . 4.880 2.657 2.110 3.887 . 0 0 "[ . 1 . 2]" 1
821 1 59 ASP HB3 1 60 HIS H . . 3.690 3.501 2.700 3.710 0.020 8 0 "[ . 1 . 2]" 1
822 1 60 HIS H 1 60 HIS HB2 . . 3.820 2.398 2.188 2.569 . 0 0 "[ . 1 . 2]" 1
823 1 60 HIS H 1 60 HIS HB3 . . 3.630 3.528 3.470 3.550 . 0 0 "[ . 1 . 2]" 1
824 1 60 HIS H 1 60 HIS HD2 . . 4.240 2.285 1.999 2.739 . 0 0 "[ . 1 . 2]" 1
825 1 60 HIS H 1 61 ALA H . . 3.540 2.762 2.647 2.827 . 0 0 "[ . 1 . 2]" 1
826 1 60 HIS H 1 61 ALA MB . . 4.870 4.313 4.187 4.414 . 0 0 "[ . 1 . 2]" 1
827 1 60 HIS H 1 62 ARG H . . 5.160 3.949 3.858 4.123 . 0 0 "[ . 1 . 2]" 1
828 1 60 HIS HA 1 60 HIS HD2 . . 4.240 2.891 2.598 3.144 . 0 0 "[ . 1 . 2]" 1
829 1 60 HIS HA 1 63 LEU HB2 . . 4.060 3.158 2.648 3.984 . 0 0 "[ . 1 . 2]" 1
830 1 60 HIS HA 1 63 LEU HB3 . . 3.820 3.057 2.335 3.709 . 0 0 "[ . 1 . 2]" 1
831 1 60 HIS HA 1 63 LEU QD . . 4.350 3.579 3.233 4.096 . 0 0 "[ . 1 . 2]" 1
832 1 60 HIS HB2 1 61 ALA H . . 3.930 2.578 2.466 2.802 . 0 0 "[ . 1 . 2]" 1
833 1 60 HIS HB3 1 61 ALA H . . 3.620 3.525 3.215 3.932 0.312 5 0 "[ . 1 . 2]" 1
834 1 60 HIS HB3 1 61 ALA MB . . 4.880 4.610 4.232 4.990 0.110 5 0 "[ . 1 . 2]" 1
835 1 60 HIS HE1 1 79 SER HB2 . . 4.650 3.558 2.267 4.656 0.006 13 0 "[ . 1 . 2]" 1
836 1 60 HIS HE1 1 79 SER HB3 . . 4.480 3.393 2.067 4.499 0.019 13 0 "[ . 1 . 2]" 1
837 1 61 ALA H 1 61 ALA MB . . 3.020 2.054 1.941 2.171 . 0 0 "[ . 1 . 2]" 1
838 1 61 ALA H 1 62 ARG H . . 3.310 2.623 2.550 2.724 . 0 0 "[ . 1 . 2]" 1
839 1 61 ALA HA 1 64 LYS H . . 4.170 3.381 3.163 3.601 . 0 0 "[ . 1 . 2]" 1
840 1 61 ALA HA 1 64 LYS HB2 . . 4.140 4.040 3.670 4.236 0.096 18 0 "[ . 1 . 2]" 1
841 1 61 ALA HA 1 64 LYS HB3 . . 3.620 2.835 2.441 3.304 . 0 0 "[ . 1 . 2]" 1
842 1 61 ALA HA 1 65 LEU H . . 4.650 4.089 3.576 4.651 0.001 13 0 "[ . 1 . 2]" 1
843 1 61 ALA MB 1 62 ARG H . . 3.430 2.702 2.582 2.835 . 0 0 "[ . 1 . 2]" 1
844 1 61 ALA MB 1 62 ARG HA . . 4.350 3.762 3.678 3.835 . 0 0 "[ . 1 . 2]" 1
845 1 61 ALA MB 1 62 ARG HG2 . . 4.350 3.978 3.001 4.462 0.112 12 0 "[ . 1 . 2]" 1
846 1 62 ARG H 1 62 ARG HB2 . . 3.990 2.192 2.091 2.453 . 0 0 "[ . 1 . 2]" 1
847 1 62 ARG H 1 62 ARG HB3 . . 3.290 3.459 3.391 3.555 0.265 14 0 "[ . 1 . 2]" 1
848 1 62 ARG H 1 62 ARG HG2 . . 4.060 3.159 2.237 3.694 . 0 0 "[ . 1 . 2]" 1
849 1 62 ARG HA 1 62 ARG HG2 . . 3.270 2.237 2.032 2.639 . 0 0 "[ . 1 . 2]" 1
850 1 62 ARG HA 1 65 LEU H . . 4.060 3.406 3.151 3.710 . 0 0 "[ . 1 . 2]" 1
851 1 62 ARG HA 1 65 LEU HB3 . . 4.060 3.349 2.613 4.703 0.643 19 1 "[ . 1 . +2]" 1
852 1 62 ARG HA 1 65 LEU MD2 . . 3.820 2.305 1.853 3.883 0.063 4 0 "[ . 1 . 2]" 1
853 1 62 ARG HA 1 66 ALA H . . 4.920 4.011 3.643 4.574 . 0 0 "[ . 1 . 2]" 1
854 1 62 ARG HB2 1 62 ARG HD2 . . 3.770 3.234 2.699 3.905 0.135 17 0 "[ . 1 . 2]" 1
855 1 62 ARG HB2 1 63 LEU H . . 4.390 2.899 2.748 3.051 . 0 0 "[ . 1 . 2]" 1
856 1 62 ARG HB3 1 62 ARG HD2 . . 3.560 2.450 2.009 3.108 . 0 0 "[ . 1 . 2]" 1
857 1 62 ARG HB3 1 62 ARG HG2 . . 2.690 2.867 2.677 3.019 0.329 4 0 "[ . 1 . 2]" 1
858 1 62 ARG HB3 1 63 LEU H . . 3.850 3.472 3.181 3.842 . 0 0 "[ . 1 . 2]" 1
859 1 62 ARG HB3 1 63 LEU HA . . 4.650 4.096 3.910 4.449 . 0 0 "[ . 1 . 2]" 1
860 1 62 ARG HG2 1 65 LEU MD1 . . 4.880 4.823 3.254 5.807 0.927 14 5 "[* . - +. ** 2]" 1
861 1 63 LEU H 1 63 LEU HB2 . . 3.480 2.272 2.070 2.655 . 0 0 "[ . 1 . 2]" 1
862 1 63 LEU H 1 63 LEU HB3 . . 3.560 2.676 2.303 3.031 . 0 0 "[ . 1 . 2]" 1
863 1 63 LEU H 1 77 ILE MD . . 4.890 4.522 4.140 4.727 . 0 0 "[ . 1 . 2]" 1
864 1 63 LEU HA 1 63 LEU QD . . 3.060 1.927 1.841 2.130 . 0 0 "[ . 1 . 2]" 1
865 1 63 LEU HA 1 63 LEU HG . . 3.990 3.098 2.689 3.463 . 0 0 "[ . 1 . 2]" 1
866 1 63 LEU HA 1 66 ALA H . . 4.240 3.219 3.073 3.412 . 0 0 "[ . 1 . 2]" 1
867 1 63 LEU HA 1 66 ALA MB . . 3.380 2.163 1.960 2.466 . 0 0 "[ . 1 . 2]" 1
868 1 63 LEU HA 1 67 LEU H . . 4.880 3.944 3.608 4.286 . 0 0 "[ . 1 . 2]" 1
869 1 63 LEU HA 1 67 LEU HG . . 4.650 4.118 3.819 4.418 . 0 0 "[ . 1 . 2]" 1
870 1 63 LEU HA 1 77 ILE MD . . 4.880 4.193 3.931 4.416 . 0 0 "[ . 1 . 2]" 1
871 1 63 LEU HB2 1 64 LYS H . . 3.860 3.725 3.335 4.009 0.149 8 0 "[ . 1 . 2]" 1
872 1 63 LEU HB2 1 77 ILE MD . . 3.990 4.024 3.890 4.111 0.121 20 0 "[ . 1 . 2]" 1
873 1 63 LEU HB3 1 64 LYS H . . 3.380 2.714 2.520 2.898 . 0 0 "[ . 1 . 2]" 1
874 1 63 LEU HB3 1 67 LEU HG . . 4.880 4.199 3.405 4.878 . 0 0 "[ . 1 . 2]" 1
875 1 63 LEU HB3 1 77 ILE MD . . 4.060 2.683 2.506 3.029 . 0 0 "[ . 1 . 2]" 1
876 1 63 LEU HB3 1 77 ILE MG . . 4.880 3.890 3.303 4.364 . 0 0 "[ . 1 . 2]" 1
877 1 63 LEU QD 1 64 LYS H . . 4.530 3.811 3.574 4.055 . 0 0 "[ . 1 . 2]" 1
878 1 63 LEU QD 1 64 LYS HA . . 4.350 3.883 3.359 4.232 . 0 0 "[ . 1 . 2]" 1
879 1 63 LEU QD 1 66 ALA H . . 4.990 3.871 3.505 4.179 . 0 0 "[ . 1 . 2]" 1
880 1 63 LEU QD 1 66 ALA MB . . 3.560 2.492 2.293 2.680 . 0 0 "[ . 1 . 2]" 1
881 1 63 LEU QD 1 67 LEU H . . 4.210 3.265 3.057 3.449 . 0 0 "[ . 1 . 2]" 1
882 1 63 LEU QD 1 67 LEU HB2 . . 4.240 3.938 3.566 4.244 0.004 20 0 "[ . 1 . 2]" 1
883 1 63 LEU QD 1 67 LEU MD1 . . 3.240 2.717 2.281 3.161 . 0 0 "[ . 1 . 2]" 1
884 1 63 LEU QD 1 67 LEU MD2 . . 3.020 1.784 1.681 1.933 . 0 0 "[ . 1 . 2]" 1
885 1 63 LEU QD 1 67 LEU HG . . 3.380 2.189 1.923 2.550 . 0 0 "[ . 1 . 2]" 1
886 1 63 LEU QD 1 77 ILE MD . . 3.320 2.409 1.701 2.840 . 0 0 "[ . 1 . 2]" 1
887 1 64 LYS H 1 64 LYS HB2 . . 3.490 2.930 2.366 3.424 . 0 0 "[ . 1 . 2]" 1
888 1 64 LYS H 1 64 LYS HB3 . . 3.390 2.218 2.028 2.566 . 0 0 "[ . 1 . 2]" 1
889 1 64 LYS H 1 64 LYS HD2 . . 4.880 4.521 3.947 4.900 0.020 15 0 "[ . 1 . 2]" 1
890 1 64 LYS H 1 64 LYS HD3 . . 4.880 4.946 4.881 5.044 0.164 4 0 "[ . 1 . 2]" 1
891 1 64 LYS H 1 65 LEU H . . 3.760 2.704 2.569 2.815 . 0 0 "[ . 1 . 2]" 1
892 1 64 LYS H 1 66 ALA MB . . 4.740 4.521 4.361 4.740 . 0 0 "[ . 1 . 2]" 1
893 1 64 LYS H 1 67 LEU MD2 . . 5.220 5.208 5.012 5.311 0.091 15 0 "[ . 1 . 2]" 1
894 1 64 LYS H 1 77 ILE MD . . 4.110 2.997 2.510 3.374 . 0 0 "[ . 1 . 2]" 1
895 1 64 LYS HA 1 64 LYS HD2 . . 3.870 3.574 2.976 3.914 0.044 5 0 "[ . 1 . 2]" 1
896 1 64 LYS HA 1 64 LYS HD3 . . 3.990 3.482 2.891 3.912 . 0 0 "[ . 1 . 2]" 1
897 1 64 LYS HA 1 65 LEU HA . . 4.650 4.740 4.705 4.784 0.134 19 0 "[ . 1 . 2]" 1
898 1 64 LYS HA 1 67 LEU H . . 4.480 3.309 3.112 3.492 . 0 0 "[ . 1 . 2]" 1
899 1 64 LYS HA 1 67 LEU HB2 . . 4.350 2.713 2.393 3.112 . 0 0 "[ . 1 . 2]" 1
900 1 64 LYS HA 1 67 LEU HB3 . . 4.880 4.337 4.024 4.707 . 0 0 "[ . 1 . 2]" 1
901 1 64 LYS HA 1 67 LEU MD1 . . 4.480 3.872 3.521 4.498 0.018 13 0 "[ . 1 . 2]" 1
902 1 64 LYS HA 1 68 GLU H . . 5.120 4.074 3.678 4.452 . 0 0 "[ . 1 . 2]" 1
903 1 64 LYS HA 1 75 VAL HB . . 4.880 4.107 3.564 4.596 . 0 0 "[ . 1 . 2]" 1
904 1 64 LYS HA 1 75 VAL MG1 . . 4.240 3.418 2.335 4.152 . 0 0 "[ . 1 . 2]" 1
905 1 64 LYS HA 1 77 ILE MD . . 3.360 1.916 1.772 1.983 . 0 0 "[ . 1 . 2]" 1
906 1 64 LYS HA 1 77 ILE HG12 . . 4.880 4.130 3.589 4.504 . 0 0 "[ . 1 . 2]" 1
907 1 64 LYS HB2 1 64 LYS HD2 . . 3.650 3.302 2.931 3.549 . 0 0 "[ . 1 . 2]" 1
908 1 64 LYS HB2 1 64 LYS HD3 . . 4.140 3.067 2.217 4.076 . 0 0 "[ . 1 . 2]" 1
909 1 64 LYS HB2 1 65 LEU H . . 4.120 4.088 3.909 4.253 0.133 4 0 "[ . 1 . 2]" 1
910 1 64 LYS HB2 1 77 ILE MD . . 4.240 2.791 1.979 3.301 . 0 0 "[ . 1 . 2]" 1
911 1 64 LYS HB2 1 77 ILE HG12 . . 4.880 4.708 4.111 5.105 0.225 5 0 "[ . 1 . 2]" 1
912 1 64 LYS HB3 1 64 LYS HD2 . . 3.650 3.150 2.211 3.938 0.288 15 0 "[ . 1 . 2]" 1
913 1 64 LYS HB3 1 64 LYS HD3 . . 3.650 3.457 3.210 3.603 . 0 0 "[ . 1 . 2]" 1
914 1 64 LYS HB3 1 65 LEU H . . 3.550 3.049 2.604 3.656 0.106 2 0 "[ . 1 . 2]" 1
915 1 64 LYS HD2 1 65 LEU HA . . 4.880 3.009 2.575 3.434 . 0 0 "[ . 1 . 2]" 1
916 1 64 LYS HD2 1 68 GLU HG3 . . 4.880 3.018 1.976 4.077 . 0 0 "[ . 1 . 2]" 1
917 1 64 LYS HD3 1 65 LEU H . . 4.450 4.268 3.374 4.867 0.417 12 0 "[ . 1 . 2]" 1
918 1 64 LYS HD3 1 65 LEU HA . . 4.480 3.844 2.455 4.988 0.508 19 1 "[ . 1 . +2]" 1
919 1 64 LYS HD3 1 68 GLU HG3 . . 4.650 2.851 2.092 3.708 . 0 0 "[ . 1 . 2]" 1
920 1 64 LYS HD3 1 75 VAL HB . . 4.880 3.790 2.866 4.748 . 0 0 "[ . 1 . 2]" 1
921 1 64 LYS HG2 1 65 LEU H . . 4.830 4.138 3.648 4.804 . 0 0 "[ . 1 . 2]" 1
922 1 65 LEU H 1 65 LEU HB2 . . 3.530 3.257 2.172 3.497 . 0 0 "[ . 1 . 2]" 1
923 1 65 LEU H 1 65 LEU HB3 . . 3.030 2.315 2.001 3.493 0.463 12 0 "[ . 1 . 2]" 1
924 1 65 LEU H 1 65 LEU MD1 . . 4.650 3.866 1.991 4.283 . 0 0 "[ . 1 . 2]" 1
925 1 65 LEU H 1 65 LEU MD2 . . 4.180 3.512 2.268 4.195 0.015 4 0 "[ . 1 . 2]" 1
926 1 65 LEU H 1 65 LEU HG . . 3.470 3.024 1.912 3.460 . 0 0 "[ . 1 . 2]" 1
927 1 65 LEU H 1 66 ALA H . . 3.550 2.557 2.461 2.715 . 0 0 "[ . 1 . 2]" 1
928 1 65 LEU H 1 66 ALA MB . . 4.140 4.119 3.978 4.199 0.059 19 0 "[ . 1 . 2]" 1
929 1 65 LEU H 1 67 LEU H . . 4.890 4.048 3.888 4.224 . 0 0 "[ . 1 . 2]" 1
930 1 65 LEU HA 1 65 LEU MD2 . . 4.750 3.957 1.968 4.137 . 0 0 "[ . 1 . 2]" 1
931 1 65 LEU HA 1 68 GLU H . . 4.060 3.247 3.037 3.453 . 0 0 "[ . 1 . 2]" 1
932 1 65 LEU HA 1 68 GLU HB2 . . 3.620 2.372 2.098 2.619 . 0 0 "[ . 1 . 2]" 1
933 1 65 LEU HA 1 68 GLU HB3 . . 4.240 3.943 3.650 4.204 . 0 0 "[ . 1 . 2]" 1
934 1 65 LEU HA 1 69 GLY H . . 4.480 4.261 3.979 4.530 0.050 14 0 "[ . 1 . 2]" 1
935 1 65 LEU HB2 1 65 LEU MD1 . . 3.380 2.194 2.038 2.401 . 0 0 "[ . 1 . 2]" 1
936 1 65 LEU HB3 1 65 LEU MD1 . . 3.360 3.136 2.343 3.200 . 0 0 "[ . 1 . 2]" 1
937 1 65 LEU HB3 1 66 ALA H . . 3.710 3.686 3.456 4.058 0.348 19 0 "[ . 1 . 2]" 1
938 1 65 LEU MD1 1 66 ALA H . . 4.550 3.454 2.758 4.639 0.089 19 0 "[ . 1 . 2]" 1
939 1 66 ALA H 1 66 ALA MB . . 3.040 2.043 1.934 2.151 . 0 0 "[ . 1 . 2]" 1
940 1 66 ALA H 1 67 LEU H . . 3.490 2.551 2.466 2.711 . 0 0 "[ . 1 . 2]" 1
941 1 66 ALA H 1 67 LEU HB2 . . 5.110 4.695 4.545 4.929 . 0 0 "[ . 1 . 2]" 1
942 1 66 ALA H 1 68 GLU H . . 5.040 3.950 3.775 4.212 . 0 0 "[ . 1 . 2]" 1
943 1 66 ALA HA 1 69 GLY H . . 4.050 3.349 3.159 3.494 . 0 0 "[ . 1 . 2]" 1
944 1 66 ALA MB 1 67 LEU H . . 3.430 2.723 2.544 2.832 . 0 0 "[ . 1 . 2]" 1
945 1 66 ALA MB 1 67 LEU HA . . 4.480 3.832 3.726 3.892 . 0 0 "[ . 1 . 2]" 1
946 1 66 ALA MB 1 67 LEU MD2 . . 4.480 2.436 2.120 2.653 . 0 0 "[ . 1 . 2]" 1
947 1 66 ALA MB 1 69 GLY H . . 4.730 4.476 4.303 4.569 . 0 0 "[ . 1 . 2]" 1
948 1 67 LEU H 1 67 LEU HB2 . . 3.320 2.383 2.210 2.563 . 0 0 "[ . 1 . 2]" 1
949 1 67 LEU H 1 67 LEU HB3 . . 3.730 3.532 3.479 3.558 . 0 0 "[ . 1 . 2]" 1
950 1 67 LEU H 1 67 LEU MD1 . . 4.150 4.042 3.861 4.195 0.045 7 0 "[ . 1 . 2]" 1
951 1 67 LEU H 1 67 LEU MD2 . . 4.080 2.351 2.094 2.543 . 0 0 "[ . 1 . 2]" 1
952 1 67 LEU H 1 67 LEU HG . . 3.450 2.731 2.366 3.143 . 0 0 "[ . 1 . 2]" 1
953 1 67 LEU H 1 68 GLU H . . 3.520 2.547 2.456 2.687 . 0 0 "[ . 1 . 2]" 1
954 1 67 LEU H 1 69 GLY H . . 4.650 3.905 3.759 4.053 . 0 0 "[ . 1 . 2]" 1
955 1 67 LEU HA 1 67 LEU MD1 . . 4.140 3.382 3.086 3.613 . 0 0 "[ . 1 . 2]" 1
956 1 67 LEU HA 1 67 LEU MD2 . . 2.990 1.888 1.846 1.930 . 0 0 "[ . 1 . 2]" 1
957 1 67 LEU HA 1 67 LEU HG . . 4.140 3.554 3.492 3.617 . 0 0 "[ . 1 . 2]" 1
958 1 67 LEU HA 1 70 LEU H . . 3.920 3.369 3.233 3.478 . 0 0 "[ . 1 . 2]" 1
959 1 67 LEU HA 1 70 LEU QB . . 3.530 2.900 2.689 3.226 . 0 0 "[ . 1 . 2]" 1
960 1 67 LEU HA 1 70 LEU QD . . 4.480 3.617 2.931 4.360 . 0 0 "[ . 1 . 2]" 1
961 1 67 LEU HA 1 71 LEU H . . 4.650 3.737 3.326 4.191 . 0 0 "[ . 1 . 2]" 1
962 1 67 LEU HA 1 71 LEU QD . . 4.650 3.124 2.307 4.443 . 0 0 "[ . 1 . 2]" 1
963 1 67 LEU HB2 1 67 LEU MD1 . . 3.340 2.769 2.574 2.941 . 0 0 "[ . 1 . 2]" 1
964 1 67 LEU HB2 1 67 LEU MD2 . . 3.530 3.072 2.919 3.160 . 0 0 "[ . 1 . 2]" 1
965 1 67 LEU HB2 1 68 GLU H . . 3.780 2.823 2.607 3.029 . 0 0 "[ . 1 . 2]" 1
966 1 67 LEU HB3 1 67 LEU MD1 . . 3.470 2.120 1.979 2.239 . 0 0 "[ . 1 . 2]" 1
967 1 67 LEU HB3 1 67 LEU MD2 . . 3.290 2.838 2.672 3.021 . 0 0 "[ . 1 . 2]" 1
968 1 67 LEU HB3 1 68 GLU H . . 4.350 3.788 3.531 4.081 . 0 0 "[ . 1 . 2]" 1
969 1 67 LEU HB3 1 71 LEU QD . . 3.870 2.563 1.938 3.870 . 15 0 "[ . 1 . 2]" 1
970 1 67 LEU HB3 1 75 VAL MG1 . . 3.730 2.294 1.939 2.714 . 0 0 "[ . 1 . 2]" 1
971 1 67 LEU HB3 1 75 VAL MG2 . . 3.400 2.771 2.102 3.432 0.032 11 0 "[ . 1 . 2]" 1
972 1 68 GLU H 1 68 GLU HB2 . . 3.480 2.210 2.120 2.330 . 0 0 "[ . 1 . 2]" 1
973 1 68 GLU H 1 68 GLU HB3 . . 3.790 3.482 3.426 3.532 . 0 0 "[ . 1 . 2]" 1
974 1 68 GLU H 1 68 GLU HG2 . . 3.820 3.602 3.375 3.839 0.019 5 0 "[ . 1 . 2]" 1
975 1 68 GLU H 1 68 GLU HG3 . . 3.480 2.756 2.417 3.209 . 0 0 "[ . 1 . 2]" 1
976 1 68 GLU H 1 69 GLY H . . 3.520 2.593 2.487 2.706 . 0 0 "[ . 1 . 2]" 1
977 1 68 GLU H 1 69 GLY HA3 . . 4.760 4.846 4.736 4.965 0.205 12 0 "[ . 1 . 2]" 1
978 1 68 GLU H 1 70 LEU H . . 4.840 4.385 4.233 4.545 . 0 0 "[ . 1 . 2]" 1
979 1 68 GLU H 1 75 VAL MG2 . . 3.990 3.582 2.965 4.003 0.013 13 0 "[ . 1 . 2]" 1
980 1 68 GLU HA 1 68 GLU HG2 . . 3.340 2.210 2.014 2.363 . 0 0 "[ . 1 . 2]" 1
981 1 68 GLU HA 1 68 GLU HG3 . . 3.470 2.982 2.745 3.270 . 0 0 "[ . 1 . 2]" 1
982 1 68 GLU HA 1 71 LEU H . . 4.480 3.597 3.474 3.744 . 0 0 "[ . 1 . 2]" 1
983 1 68 GLU HA 1 71 LEU HB2 . . 4.650 2.977 2.721 3.229 . 0 0 "[ . 1 . 2]" 1
984 1 68 GLU HA 1 72 GLY H . . 4.480 3.835 3.684 4.118 . 0 0 "[ . 1 . 2]" 1
985 1 68 GLU HA 1 73 VAL H . . 3.830 2.981 2.675 3.335 . 0 0 "[ . 1 . 2]" 1
986 1 68 GLU HA 1 73 VAL MG2 . . 4.880 3.935 3.314 4.322 . 0 0 "[ . 1 . 2]" 1
987 1 68 GLU HA 1 75 VAL HB . . 4.650 3.387 2.830 4.076 . 0 0 "[ . 1 . 2]" 1
988 1 68 GLU HA 1 75 VAL MG2 . . 3.470 2.142 1.914 2.802 . 0 0 "[ . 1 . 2]" 1
989 1 68 GLU HB2 1 69 GLY H . . 3.780 3.085 2.984 3.165 . 0 0 "[ . 1 . 2]" 1
990 1 68 GLU HB3 1 69 GLY H . . 4.040 3.709 3.433 3.913 . 0 0 "[ . 1 . 2]" 1
991 1 68 GLU HB3 1 73 VAL H . . 5.090 4.284 3.820 4.651 . 0 0 "[ . 1 . 2]" 1
992 1 68 GLU HB3 1 74 ARG HA . . 4.650 4.246 3.656 4.663 0.013 2 0 "[ . 1 . 2]" 1
993 1 68 GLU HG2 1 74 ARG HA . . 3.690 2.640 2.220 3.026 . 0 0 "[ . 1 . 2]" 1
994 1 68 GLU HG2 1 75 VAL H . . 3.820 2.320 1.942 2.768 . 0 0 "[ . 1 . 2]" 1
995 1 68 GLU HG2 1 75 VAL HB . . 3.930 2.647 2.005 3.862 . 0 0 "[ . 1 . 2]" 1
996 1 68 GLU HG2 1 75 VAL MG1 . . 4.880 4.187 3.746 4.897 0.017 19 0 "[ . 1 . 2]" 1
997 1 68 GLU HG2 1 75 VAL MG2 . . 3.650 2.415 1.945 3.031 . 0 0 "[ . 1 . 2]" 1
998 1 68 GLU HG3 1 69 GLY H . . 4.910 4.844 4.618 5.095 0.185 12 0 "[ . 1 . 2]" 1
999 1 68 GLU HG3 1 74 ARG HA . . 4.240 3.930 3.457 4.243 0.003 8 0 "[ . 1 . 2]" 1
1000 1 68 GLU HG3 1 75 VAL H . . 3.990 2.833 2.522 3.274 . 0 0 "[ . 1 . 2]" 1
1001 1 68 GLU HG3 1 75 VAL HB . . 3.870 2.378 1.979 3.136 . 0 0 "[ . 1 . 2]" 1
1002 1 68 GLU HG3 1 75 VAL MG1 . . 4.650 3.865 3.312 4.643 . 0 0 "[ . 1 . 2]" 1
1003 1 68 GLU HG3 1 75 VAL MG2 . . 3.770 3.171 2.217 3.663 . 0 0 "[ . 1 . 2]" 1
1004 1 69 GLY H 1 69 GLY HA3 . . 2.920 2.258 2.256 2.261 . 0 0 "[ . 1 . 2]" 1
1005 1 69 GLY H 1 70 LEU H . . 3.470 2.612 2.565 2.652 . 0 0 "[ . 1 . 2]" 1
1006 1 69 GLY H 1 71 LEU H . . 4.910 3.950 3.805 4.057 . 0 0 "[ . 1 . 2]" 1
1007 1 69 GLY HA3 1 70 LEU H . . 3.560 2.788 2.750 2.849 . 0 0 "[ . 1 . 2]" 1
1008 1 69 GLY HA3 1 70 LEU HA . . 3.930 4.319 4.314 4.329 0.399 18 0 "[ . 1 . 2]" 1
1009 1 70 LEU H 1 70 LEU QB . . 3.280 2.025 1.968 2.220 . 0 0 "[ . 1 . 2]" 1
1010 1 70 LEU H 1 70 LEU QD . . 4.230 2.951 1.988 3.669 . 0 0 "[ . 1 . 2]" 1
1011 1 70 LEU H 1 70 LEU HG . . 4.420 3.771 2.951 4.247 . 0 0 "[ . 1 . 2]" 1
1012 1 70 LEU H 1 71 LEU H . . 3.440 2.636 2.508 2.675 . 0 0 "[ . 1 . 2]" 1
1013 1 70 LEU H 1 72 GLY H . . 4.780 3.543 3.501 3.583 . 0 0 "[ . 1 . 2]" 1
1014 1 70 LEU HA 1 70 LEU QD . . 2.940 2.508 1.891 2.819 . 0 0 "[ . 1 . 2]" 1
1015 1 70 LEU HA 1 70 LEU HG . . 3.870 2.341 2.090 2.854 . 0 0 "[ . 1 . 2]" 1
1016 1 70 LEU HA 1 72 GLY H . . 4.270 3.879 3.686 3.988 . 0 0 "[ . 1 . 2]" 1
1017 1 70 LEU QB 1 71 LEU H . . 3.770 2.718 2.697 2.765 . 0 0 "[ . 1 . 2]" 1
1018 1 70 LEU QD 1 71 LEU H . . 4.460 4.089 3.780 4.166 . 0 0 "[ . 1 . 2]" 1
1019 1 71 LEU H 1 71 LEU HB2 . . 3.470 2.326 2.164 2.557 . 0 0 "[ . 1 . 2]" 1
1020 1 71 LEU H 1 71 LEU HB3 . . 3.840 3.538 3.441 3.603 . 0 0 "[ . 1 . 2]" 1
1021 1 71 LEU H 1 71 LEU QD . . 4.060 2.598 1.822 3.432 . 0 0 "[ . 1 . 2]" 1
1022 1 71 LEU H 1 71 LEU HG . . 3.690 3.246 2.314 3.922 0.232 8 0 "[ . 1 . 2]" 1
1023 1 71 LEU H 1 72 GLY H . . 3.350 2.380 2.334 2.472 . 0 0 "[ . 1 . 2]" 1
1024 1 71 LEU H 1 72 GLY HA2 . . 4.850 4.566 4.499 4.612 . 0 0 "[ . 1 . 2]" 1
1025 1 71 LEU H 1 73 VAL H . . 4.880 3.841 3.678 3.974 . 0 0 "[ . 1 . 2]" 1
1026 1 71 LEU HA 1 71 LEU QD . . 2.880 2.439 2.214 2.708 . 0 0 "[ . 1 . 2]" 1
1027 1 71 LEU HA 1 71 LEU HG . . 3.730 2.660 2.423 2.950 . 0 0 "[ . 1 . 2]" 1
1028 1 71 LEU HA 1 73 VAL MG2 . . 4.650 3.647 3.480 3.933 . 0 0 "[ . 1 . 2]" 1
1029 1 71 LEU HB2 1 72 GLY H . . 4.160 3.465 3.356 3.718 . 0 0 "[ . 1 . 2]" 1
1030 1 71 LEU HB2 1 73 VAL H . . 3.990 2.866 2.551 3.142 . 0 0 "[ . 1 . 2]" 1
1031 1 71 LEU HB3 1 71 LEU QD . . 3.240 2.198 1.987 2.508 . 0 0 "[ . 1 . 2]" 1
1032 1 71 LEU HB3 1 72 GLY H . . 4.610 4.196 3.994 4.430 . 0 0 "[ . 1 . 2]" 1
1033 1 71 LEU HB3 1 73 VAL H . . 4.320 3.148 2.765 3.605 . 0 0 "[ . 1 . 2]" 1
1034 1 71 LEU HB3 1 73 VAL MG1 . . 4.350 3.749 3.033 4.121 . 0 0 "[ . 1 . 2]" 1
1035 1 71 LEU HB3 1 73 VAL MG2 . . 3.650 1.983 1.837 2.166 . 0 0 "[ . 1 . 2]" 1
1036 1 71 LEU HB3 1 75 VAL MG2 . . 4.350 3.143 2.711 3.785 . 0 0 "[ . 1 . 2]" 1
1037 1 71 LEU QD 1 72 GLY H . . 4.880 4.141 3.678 4.512 . 0 0 "[ . 1 . 2]" 1
1038 1 71 LEU QD 1 75 VAL MG2 . . 2.930 1.791 1.646 2.254 . 0 0 "[ . 1 . 2]" 1
1039 1 71 LEU HG 1 73 VAL MG2 . . 4.880 4.179 3.801 4.483 . 0 0 "[ . 1 . 2]" 1
1040 1 72 GLY H 1 73 VAL H . . 3.360 2.858 2.777 2.973 . 0 0 "[ . 1 . 2]" 1
1041 1 72 GLY H 1 73 VAL MG1 . . 4.350 4.429 4.317 4.487 0.137 7 0 "[ . 1 . 2]" 1
1042 1 72 GLY H 1 73 VAL MG2 . . 4.920 4.341 4.202 4.435 . 0 0 "[ . 1 . 2]" 1
1043 1 72 GLY HA2 1 73 VAL HA . . 4.650 4.411 4.371 4.452 . 0 0 "[ . 1 . 2]" 1
1044 1 73 VAL H 1 73 VAL MG1 . . 3.850 2.949 2.754 3.132 . 0 0 "[ . 1 . 2]" 1
1045 1 73 VAL H 1 73 VAL MG2 . . 3.340 2.324 2.064 2.519 . 0 0 "[ . 1 . 2]" 1
1046 1 73 VAL H 1 75 VAL MG2 . . 4.880 3.438 3.211 3.884 . 0 0 "[ . 1 . 2]" 1
1047 1 73 VAL HA 1 73 VAL MG1 . . 3.400 2.419 2.348 2.473 . 0 0 "[ . 1 . 2]" 1
1048 1 73 VAL HA 1 74 ARG H . . 3.520 2.477 2.323 2.766 . 0 0 "[ . 1 . 2]" 1
1049 1 73 VAL HA 1 74 ARG HA . . 4.350 4.231 4.219 4.286 . 0 0 "[ . 1 . 2]" 1
1050 1 73 VAL HA 1 74 ARG QB . . 4.880 4.582 4.244 4.757 . 0 0 "[ . 1 . 2]" 1
1051 1 73 VAL HB 1 74 ARG H . . 3.250 2.539 2.038 2.861 . 0 0 "[ . 1 . 2]" 1
1052 1 73 VAL MG1 1 74 ARG H . . 4.060 3.849 3.676 3.951 . 0 0 "[ . 1 . 2]" 1
1053 1 73 VAL MG2 1 74 ARG H . . 3.930 3.376 2.713 3.662 . 0 0 "[ . 1 . 2]" 1
1054 1 73 VAL MG2 1 74 ARG HA . . 4.650 4.441 3.963 4.657 0.007 9 0 "[ . 1 . 2]" 1
1055 1 73 VAL MG2 1 74 ARG QB . . 4.480 4.182 3.932 4.321 . 0 0 "[ . 1 . 2]" 1
1056 1 73 VAL MG2 1 75 VAL MG2 . . 3.150 2.660 2.373 2.990 . 0 0 "[ . 1 . 2]" 1
1057 1 74 ARG H 1 74 ARG QB . . 3.190 2.406 2.201 2.626 . 0 0 "[ . 1 . 2]" 1
1058 1 74 ARG HA 1 74 ARG HG2 . . 3.360 2.779 2.224 3.844 0.484 16 0 "[ . 1 . 2]" 1
1059 1 74 ARG HA 1 75 VAL H . . 3.020 2.270 2.234 2.308 . 0 0 "[ . 1 . 2]" 1
1060 1 74 ARG HA 1 75 VAL MG2 . . 4.350 3.686 3.216 4.183 . 0 0 "[ . 1 . 2]" 1
1061 1 74 ARG QB 1 74 ARG HG2 . . 2.670 2.407 2.180 2.534 . 0 0 "[ . 1 . 2]" 1
1062 1 74 ARG QB 1 75 VAL H . . 4.160 3.272 3.009 3.804 . 0 0 "[ . 1 . 2]" 1
1063 1 75 VAL H 1 75 VAL HB . . 3.770 2.661 2.540 2.883 . 0 0 "[ . 1 . 2]" 1
1064 1 75 VAL H 1 75 VAL MG2 . . 3.730 3.016 2.561 3.402 . 0 0 "[ . 1 . 2]" 1
1065 1 75 VAL H 1 76 ASP H . . 5.140 4.358 4.252 4.401 . 0 0 "[ . 1 . 2]" 1
1066 1 75 VAL HB 1 76 ASP H . . 4.880 4.156 3.870 4.349 . 0 0 "[ . 1 . 2]" 1
1067 1 75 VAL MG1 1 76 ASP H . . 3.590 2.293 2.026 2.598 . 0 0 "[ . 1 . 2]" 1
1068 1 75 VAL MG1 1 76 ASP HA . . 4.350 3.695 3.366 4.090 . 0 0 "[ . 1 . 2]" 1
1069 1 75 VAL MG2 1 76 ASP H . . 4.650 3.943 3.586 4.236 . 0 0 "[ . 1 . 2]" 1
1070 1 76 ASP H 1 76 ASP HB2 . . 3.870 2.683 2.384 3.224 . 0 0 "[ . 1 . 2]" 1
1071 1 76 ASP H 1 76 ASP HB3 . . 3.870 2.964 2.400 3.757 . 0 0 "[ . 1 . 2]" 1
1072 1 76 ASP HA 1 77 ILE H . . 3.070 2.259 2.253 2.293 . 0 0 "[ . 1 . 2]" 1
1073 1 76 ASP HA 1 77 ILE HB . . 4.880 4.620 4.506 4.713 . 0 0 "[ . 1 . 2]" 1
1074 1 76 ASP HB2 1 77 ILE H . . 4.780 4.516 4.124 4.657 . 0 0 "[ . 1 . 2]" 1
1075 1 76 ASP HB3 1 77 ILE H . . 4.650 4.087 3.727 4.491 . 0 0 "[ . 1 . 2]" 1
1076 1 77 ILE H 1 77 ILE HB . . 3.400 2.446 2.315 2.580 . 0 0 "[ . 1 . 2]" 1
1077 1 77 ILE H 1 77 ILE HG12 . . 4.270 3.686 3.326 3.994 . 0 0 "[ . 1 . 2]" 1
1078 1 77 ILE H 1 77 ILE HG13 . . 4.150 2.645 2.418 2.934 . 0 0 "[ . 1 . 2]" 1
1079 1 77 ILE H 1 77 ILE MG . . 4.010 3.752 3.681 3.813 . 0 0 "[ . 1 . 2]" 1
1080 1 77 ILE HB 1 78 VAL H . . 5.160 4.061 3.979 4.213 . 0 0 "[ . 1 . 2]" 1
1081 1 77 ILE HG13 1 77 ILE MG . . 3.620 3.222 3.207 3.232 . 0 0 "[ . 1 . 2]" 1
1082 1 77 ILE MG 1 78 VAL H . . 3.820 2.061 1.947 2.477 . 0 0 "[ . 1 . 2]" 1
1083 1 77 ILE MG 1 78 VAL HA . . 4.350 3.636 3.294 3.784 . 0 0 "[ . 1 . 2]" 1
1084 1 77 ILE MG 1 78 VAL HB . . 4.650 4.290 4.146 4.502 . 0 0 "[ . 1 . 2]" 1
1085 1 77 ILE MG 1 79 SER H . . 4.880 4.562 4.320 4.694 . 0 0 "[ . 1 . 2]" 1
1086 1 77 ILE MG 1 79 SER HA . . 4.880 4.262 4.171 4.391 . 0 0 "[ . 1 . 2]" 1
1087 1 78 VAL H 1 78 VAL HB . . 3.530 2.511 2.363 2.620 . 0 0 "[ . 1 . 2]" 1
1088 1 78 VAL H 1 78 VAL MG1 . . 4.350 3.663 3.385 3.777 . 0 0 "[ . 1 . 2]" 1
1089 1 78 VAL H 1 78 VAL MG2 . . 3.770 3.224 3.003 3.553 . 0 0 "[ . 1 . 2]" 1
1090 1 78 VAL H 1 79 SER H . . 5.120 4.430 4.370 4.483 . 0 0 "[ . 1 . 2]" 1
1091 1 78 VAL HA 1 78 VAL MG1 . . 3.430 2.570 2.421 2.805 . 0 0 "[ . 1 . 2]" 1
1092 1 78 VAL HA 1 78 VAL MG2 . . 3.380 2.130 1.970 2.232 . 0 0 "[ . 1 . 2]" 1
1093 1 78 VAL HA 1 79 SER H . . 2.910 2.288 2.248 2.304 . 0 0 "[ . 1 . 2]" 1
1094 1 78 VAL HA 1 79 SER HA . . 4.880 4.326 4.314 4.340 . 0 0 "[ . 1 . 2]" 1
1095 1 78 VAL HB 1 79 SER H . . 4.460 4.186 4.078 4.330 . 0 0 "[ . 1 . 2]" 1
1096 1 78 VAL HB 1 83 LEU QD . . 4.650 3.639 3.473 3.835 . 0 0 "[ . 1 . 2]" 1
1097 1 78 VAL MG1 1 79 SER H . . 3.880 2.251 1.994 2.544 . 0 0 "[ . 1 . 2]" 1
1098 1 78 VAL MG1 1 80 GLU HA . . 4.880 3.656 3.516 3.904 . 0 0 "[ . 1 . 2]" 1
1099 1 78 VAL MG1 1 83 LEU H . . 4.730 3.621 3.370 4.188 . 0 0 "[ . 1 . 2]" 1
1100 1 78 VAL MG1 1 83 LEU HA . . 3.930 3.676 3.410 4.110 0.180 15 0 "[ . 1 . 2]" 1
1101 1 78 VAL MG1 1 83 LEU HB3 . . 4.880 4.209 4.026 4.273 . 0 0 "[ . 1 . 2]" 1
1102 1 78 VAL MG1 1 83 LEU QD . . 3.250 1.999 1.616 2.250 . 0 0 "[ . 1 . 2]" 1
1103 1 78 VAL MG1 1 83 LEU HG . . 4.140 1.874 1.790 2.072 . 0 0 "[ . 1 . 2]" 1
1104 1 78 VAL MG2 1 79 SER H . . 4.350 3.698 3.201 3.859 . 0 0 "[ . 1 . 2]" 1
1105 1 78 VAL MG2 1 83 LEU HA . . 5.220 5.212 4.808 5.271 0.051 19 0 "[ . 1 . 2]" 1
1106 1 78 VAL MG2 1 83 LEU QD . . 3.770 3.093 1.881 3.538 . 0 0 "[ . 1 . 2]" 1
1107 1 79 SER H 1 79 SER HB2 . . 3.930 3.655 3.539 3.750 . 0 0 "[ . 1 . 2]" 1
1108 1 79 SER H 1 79 SER HB3 . . 3.290 2.964 2.448 3.286 . 0 0 "[ . 1 . 2]" 1
1109 1 79 SER H 1 80 GLU HA . . 5.070 5.112 5.030 5.197 0.127 8 0 "[ . 1 . 2]" 1
1110 1 79 SER HA 1 80 GLU H . . 3.170 2.226 2.218 2.251 . 0 0 "[ . 1 . 2]" 1
1111 1 79 SER HA 1 80 GLU HA . . 4.650 4.325 4.300 4.336 . 0 0 "[ . 1 . 2]" 1
1112 1 79 SER HA 1 81 ARG H . . 4.770 3.971 3.701 4.240 . 0 0 "[ . 1 . 2]" 1
1113 1 79 SER HB2 1 80 GLU H . . 3.900 3.456 3.239 3.675 . 0 0 "[ . 1 . 2]" 1
1114 1 79 SER HB2 1 81 ARG H . . 4.420 2.998 2.615 3.427 . 0 0 "[ . 1 . 2]" 1
1115 1 79 SER HB2 1 81 ARG HB2 . . 4.650 3.360 2.773 4.656 0.006 4 0 "[ . 1 . 2]" 1
1116 1 79 SER HB3 1 80 GLU H . . 4.880 4.287 3.970 4.572 . 0 0 "[ . 1 . 2]" 1
1117 1 79 SER HB3 1 81 ARG H . . 4.890 4.540 4.230 4.897 0.007 14 0 "[ . 1 . 2]" 1
1118 1 79 SER HB3 1 82 GLY H . . 4.910 4.168 3.631 4.423 . 0 0 "[ . 1 . 2]" 1
1119 1 80 GLU H 1 80 GLU HB2 . . 3.640 2.264 2.114 2.588 . 0 0 "[ . 1 . 2]" 1
1120 1 80 GLU H 1 80 GLU HG2 . . 4.040 3.535 2.413 4.077 0.037 4 0 "[ . 1 . 2]" 1
1121 1 80 GLU H 1 80 GLU HG3 . . 4.350 2.732 2.122 3.140 . 0 0 "[ . 1 . 2]" 1
1122 1 80 GLU H 1 81 ARG H . . 3.740 2.948 2.841 3.056 . 0 0 "[ . 1 . 2]" 1
1123 1 80 GLU HA 1 80 GLU HG2 . . 3.770 2.273 1.994 3.156 . 0 0 "[ . 1 . 2]" 1
1124 1 80 GLU HA 1 80 GLU HG3 . . 4.060 2.872 2.096 3.527 . 0 0 "[ . 1 . 2]" 1
1125 1 80 GLU HA 1 81 ARG HA . . 4.880 4.797 4.743 4.864 . 0 0 "[ . 1 . 2]" 1
1126 1 80 GLU HA 1 83 LEU H . . 3.880 3.235 2.965 3.568 . 0 0 "[ . 1 . 2]" 1
1127 1 80 GLU HA 1 83 LEU HB2 . . 4.240 2.136 1.995 2.447 . 0 0 "[ . 1 . 2]" 1
1128 1 80 GLU HA 1 83 LEU HB3 . . 4.880 3.543 3.334 3.898 . 0 0 "[ . 1 . 2]" 1
1129 1 80 GLU HA 1 83 LEU QD . . 4.060 2.709 1.985 3.844 . 0 0 "[ . 1 . 2]" 1
1130 1 80 GLU HA 1 83 LEU HG . . 3.930 3.429 2.766 3.825 . 0 0 "[ . 1 . 2]" 1
1131 1 80 GLU HB2 1 81 ARG H . . 3.890 2.923 2.478 3.237 . 0 0 "[ . 1 . 2]" 1
1132 1 80 GLU HB3 1 80 GLU HG2 . . 2.960 2.609 2.265 2.850 . 0 0 "[ . 1 . 2]" 1
1133 1 81 ARG H 1 81 ARG HB2 . . 3.100 2.116 2.022 3.544 0.444 4 0 "[ . 1 . 2]" 1
1134 1 81 ARG H 1 81 ARG HG3 . . 3.970 3.656 2.753 4.097 0.127 10 0 "[ . 1 . 2]" 1
1135 1 81 ARG H 1 82 GLY H . . 3.670 2.811 2.628 3.094 . 0 0 "[ . 1 . 2]" 1
1136 1 81 ARG HA 1 81 ARG HB2 . . 3.000 2.829 2.569 2.962 . 0 0 "[ . 1 . 2]" 1
1137 1 81 ARG HA 1 81 ARG HD2 . . 4.480 4.505 4.170 4.673 0.193 5 0 "[ . 1 . 2]" 1
1138 1 81 ARG HA 1 81 ARG HG3 . . 3.590 2.930 2.218 3.698 0.108 4 0 "[ . 1 . 2]" 1
1139 1 81 ARG HA 1 83 LEU H . . 4.480 4.184 3.620 4.507 0.027 14 0 "[ . 1 . 2]" 1
1140 1 81 ARG HB2 1 81 ARG HD2 . . 3.320 3.281 2.302 4.038 0.718 14 3 "[ .- * +. 2]" 1
1141 1 81 ARG HB2 1 81 ARG HG3 . . 2.530 2.369 2.264 2.604 0.074 4 0 "[ . 1 . 2]" 1
1142 1 81 ARG HB2 1 82 GLY H . . 4.200 3.179 2.691 3.990 . 0 0 "[ . 1 . 2]" 1
1143 1 82 GLY H 1 83 LEU H . . 3.510 2.582 2.189 2.851 . 0 0 "[ . 1 . 2]" 1
1144 1 83 LEU H 1 83 LEU HB2 . . 3.190 2.077 1.999 2.256 . 0 0 "[ . 1 . 2]" 1
1145 1 83 LEU H 1 83 LEU HB3 . . 3.450 3.340 3.238 3.495 0.045 3 0 "[ . 1 . 2]" 1
1146 1 83 LEU H 1 83 LEU QD . . 4.080 3.209 2.238 3.648 . 0 0 "[ . 1 . 2]" 1
1147 1 83 LEU H 1 83 LEU HG . . 3.870 3.265 2.913 3.615 . 0 0 "[ . 1 . 2]" 1
1148 1 83 LEU H 1 84 ALA H . . 4.850 4.581 4.508 4.656 . 0 0 "[ . 1 . 2]" 1
1149 1 83 LEU HA 1 83 LEU QD . . 3.270 1.893 1.794 1.950 . 0 0 "[ . 1 . 2]" 1
1150 1 83 LEU HA 1 83 LEU HG . . 3.770 2.909 2.583 3.606 . 0 0 "[ . 1 . 2]" 1
1151 1 83 LEU HA 1 84 ALA H . . 2.700 2.548 2.189 2.724 0.024 6 0 "[ . 1 . 2]" 1
1152 1 83 LEU HA 1 84 ALA MB . . 4.350 3.884 3.837 3.947 . 0 0 "[ . 1 . 2]" 1
1153 1 83 LEU HA 1 87 LEU QD . . 4.650 4.303 4.001 4.596 . 0 0 "[ . 1 . 2]" 1
1154 1 83 LEU HB2 1 84 ALA H . . 4.650 3.919 3.706 4.494 . 0 0 "[ . 1 . 2]" 1
1155 1 83 LEU HB2 1 88 ARG HA . . 4.650 4.579 4.182 4.684 0.034 2 0 "[ . 1 . 2]" 1
1156 1 83 LEU HB3 1 84 ALA H . . 4.170 2.552 2.205 3.510 . 0 0 "[ . 1 . 2]" 1
1157 1 83 LEU HB3 1 88 ARG H . . 4.450 3.767 3.600 4.029 . 0 0 "[ . 1 . 2]" 1
1158 1 83 LEU HB3 1 88 ARG HA . . 4.240 3.322 2.877 3.489 . 0 0 "[ . 1 . 2]" 1
1159 1 83 LEU HB3 1 88 ARG HB3 . . 4.880 4.336 3.947 4.884 0.004 11 0 "[ . 1 . 2]" 1
1160 1 83 LEU QD 1 84 ALA H . . 3.950 2.290 1.885 3.194 . 0 0 "[ . 1 . 2]" 1
1161 1 83 LEU QD 1 84 ALA MB . . 4.880 3.406 3.024 4.213 . 0 0 "[ . 1 . 2]" 1
1162 1 83 LEU QD 1 88 ARG H . . 4.630 3.670 3.290 4.341 . 0 0 "[ . 1 . 2]" 1
1163 1 83 LEU QD 1 88 ARG HA . . 3.290 2.390 1.968 2.939 . 0 0 "[ . 1 . 2]" 1
1164 1 83 LEU QD 1 91 VAL QG . . 3.770 1.792 1.561 2.032 . 0 0 "[ . 1 . 2]" 1
1165 1 83 LEU HG 1 88 ARG HA . . 5.220 5.083 4.608 5.258 0.038 5 0 "[ . 1 . 2]" 1
1166 1 84 ALA H 1 84 ALA MB . . 3.070 2.154 1.947 2.318 . 0 0 "[ . 1 . 2]" 1
1167 1 84 ALA H 1 85 PRO HD3 . . 5.240 4.808 4.711 4.823 . 0 0 "[ . 1 . 2]" 1
1168 1 84 ALA H 1 87 LEU HB3 . . 4.390 3.107 2.397 4.061 . 0 0 "[ . 1 . 2]" 1
1169 1 84 ALA H 1 87 LEU QD . . 4.510 3.411 3.162 3.639 . 0 0 "[ . 1 . 2]" 1
1170 1 84 ALA HA 1 85 PRO HD2 . . 2.910 2.933 2.833 3.002 0.092 17 0 "[ . 1 . 2]" 1
1171 1 84 ALA HA 1 85 PRO HD3 . . 3.080 2.139 2.068 2.192 . 0 0 "[ . 1 . 2]" 1
1172 1 84 ALA HA 1 85 PRO HG2 . . 4.880 4.815 4.733 4.873 . 0 0 "[ . 1 . 2]" 1
1173 1 84 ALA HA 1 85 PRO HG3 . . 4.650 4.382 4.323 4.427 . 0 0 "[ . 1 . 2]" 1
1174 1 84 ALA MB 1 85 PRO HA . . 4.240 4.243 4.217 4.282 0.042 15 0 "[ . 1 . 2]" 1
1175 1 84 ALA MB 1 85 PRO HD2 . . 3.730 2.095 1.991 2.249 . 0 0 "[ . 1 . 2]" 1
1176 1 84 ALA MB 1 85 PRO HD3 . . 3.530 2.735 2.612 2.851 . 0 0 "[ . 1 . 2]" 1
1177 1 84 ALA MB 1 86 ARG H . . 3.960 2.757 2.699 2.848 . 0 0 "[ . 1 . 2]" 1
1178 1 84 ALA MB 1 87 LEU H . . 3.550 2.075 1.990 2.162 . 0 0 "[ . 1 . 2]" 1
1179 1 84 ALA MB 1 87 LEU QD . . 3.770 2.382 2.036 3.370 . 0 0 "[ . 1 . 2]" 1
1180 1 84 ALA MB 1 88 ARG H . . 3.920 3.335 3.172 3.555 . 0 0 "[ . 1 . 2]" 1
1181 1 85 PRO HA 1 87 LEU H . . 4.140 4.153 4.106 4.184 0.044 4 0 "[ . 1 . 2]" 1
1182 1 85 PRO HA 1 88 ARG H . . 4.060 3.561 3.355 3.697 . 0 0 "[ . 1 . 2]" 1
1183 1 85 PRO HA 1 88 ARG HB3 . . 3.730 2.841 2.645 2.941 . 0 0 "[ . 1 . 2]" 1
1184 1 85 PRO HA 1 88 ARG QD . . 4.060 3.685 3.419 3.962 . 0 0 "[ . 1 . 2]" 1
1185 1 85 PRO HA 1 89 GLU H . . 4.880 4.107 3.835 4.532 . 0 0 "[ . 1 . 2]" 1
1186 1 85 PRO HB2 1 86 ARG H . . 3.750 3.111 3.087 3.145 . 0 0 "[ . 1 . 2]" 1
1187 1 85 PRO HB3 1 86 ARG H . . 4.670 4.113 4.099 4.132 . 0 0 "[ . 1 . 2]" 1
1188 1 85 PRO HD2 1 86 ARG H . . 4.880 2.293 2.283 2.301 . 0 0 "[ . 1 . 2]" 1
1189 1 85 PRO HD3 1 86 ARG H . . 4.310 3.705 3.696 3.711 . 0 0 "[ . 1 . 2]" 1
1190 1 85 PRO HG3 1 86 ARG H . . 4.750 3.957 3.943 3.978 . 0 0 "[ . 1 . 2]" 1
1191 1 86 ARG H 1 86 ARG HB2 . . 3.550 3.573 3.548 3.579 0.029 8 0 "[ . 1 . 2]" 1
1192 1 86 ARG H 1 86 ARG HB3 . . 3.640 2.579 2.442 2.775 . 0 0 "[ . 1 . 2]" 1
1193 1 86 ARG H 1 86 ARG QG . . 3.700 2.086 1.939 2.353 . 0 0 "[ . 1 . 2]" 1
1194 1 86 ARG H 1 87 LEU H . . 3.650 2.407 2.390 2.441 . 0 0 "[ . 1 . 2]" 1
1195 1 86 ARG HA 1 86 ARG QG . . 3.990 3.343 3.323 3.383 . 0 0 "[ . 1 . 2]" 1
1196 1 86 ARG HA 1 88 ARG H . . 4.880 4.586 4.287 4.778 . 0 0 "[ . 1 . 2]" 1
1197 1 86 ARG HA 1 89 GLU H . . 5.120 3.809 3.758 3.839 . 0 0 "[ . 1 . 2]" 1
1198 1 86 ARG HB3 1 86 ARG HD2 . . 4.060 2.779 2.068 3.805 . 0 0 "[ . 1 . 2]" 1
1199 1 86 ARG QG 1 87 LEU H . . 4.350 2.203 2.019 2.396 . 0 0 "[ . 1 . 2]" 1
1200 1 86 ARG QG 1 87 LEU QD . . 2.990 2.379 1.956 2.851 . 0 0 "[ . 1 . 2]" 1
1201 1 87 LEU H 1 87 LEU HB2 . . 3.230 2.167 2.071 2.404 . 0 0 "[ . 1 . 2]" 1
1202 1 87 LEU H 1 87 LEU QD . . 4.400 3.131 2.674 3.458 . 0 0 "[ . 1 . 2]" 1
1203 1 87 LEU H 1 88 ARG H . . 3.070 2.373 2.313 2.419 . 0 0 "[ . 1 . 2]" 1
1204 1 87 LEU H 1 88 ARG HA . . 5.220 4.905 4.824 4.954 . 0 0 "[ . 1 . 2]" 1
1205 1 87 LEU H 1 89 GLU H . . 4.830 4.108 3.987 4.292 . 0 0 "[ . 1 . 2]" 1
1206 1 87 LEU HA 1 87 LEU QD . . 3.240 2.381 1.912 2.886 . 0 0 "[ . 1 . 2]" 1
1207 1 87 LEU HA 1 90 GLN H . . 4.400 3.290 3.202 3.366 . 0 0 "[ . 1 . 2]" 1
1208 1 87 LEU HA 1 90 GLN HB2 . . 4.240 2.973 2.493 3.511 . 0 0 "[ . 1 . 2]" 1
1209 1 87 LEU HA 1 90 GLN HB3 . . 4.140 3.370 2.447 4.092 . 0 0 "[ . 1 . 2]" 1
1210 1 87 LEU HA 1 91 VAL H . . 5.070 3.978 3.669 4.287 . 0 0 "[ . 1 . 2]" 1
1211 1 87 LEU HA 1 91 VAL QG . . 4.880 3.593 3.340 4.539 . 0 0 "[ . 1 . 2]" 1
1212 1 87 LEU HB2 1 88 ARG H . . 4.480 3.049 2.642 3.561 . 0 0 "[ . 1 . 2]" 1
1213 1 87 LEU HB3 1 88 ARG H . . 4.350 3.240 2.699 3.705 . 0 0 "[ . 1 . 2]" 1
1214 1 87 LEU QD 1 88 ARG H . . 5.180 4.135 3.791 4.306 . 0 0 "[ . 1 . 2]" 1
1215 1 88 ARG H 1 88 ARG HB3 . . 3.450 2.437 2.321 2.533 . 0 0 "[ . 1 . 2]" 1
1216 1 88 ARG H 1 88 ARG QD . . 4.910 4.414 4.226 4.684 . 0 0 "[ . 1 . 2]" 1
1217 1 88 ARG H 1 88 ARG HG2 . . 4.650 4.364 4.307 4.390 . 0 0 "[ . 1 . 2]" 1
1218 1 88 ARG H 1 89 GLU H . . 3.810 2.882 2.851 2.895 . 0 0 "[ . 1 . 2]" 1
1219 1 88 ARG HA 1 88 ARG QD . . 4.880 4.111 3.851 4.306 . 0 0 "[ . 1 . 2]" 1
1220 1 88 ARG HA 1 88 ARG HG3 . . 3.530 2.824 2.604 3.185 . 0 0 "[ . 1 . 2]" 1
1221 1 88 ARG HA 1 90 GLN H . . 5.110 4.354 4.217 4.414 . 0 0 "[ . 1 . 2]" 1
1222 1 88 ARG HA 1 91 VAL H . . 3.930 3.209 3.135 3.384 . 0 0 "[ . 1 . 2]" 1
1223 1 88 ARG HA 1 91 VAL HB . . 3.380 2.411 2.201 3.375 . 0 0 "[ . 1 . 2]" 1
1224 1 88 ARG HA 1 91 VAL QG . . 4.140 2.391 1.906 2.799 . 0 0 "[ . 1 . 2]" 1
1225 1 88 ARG HA 1 92 LEU H . . 4.720 3.880 3.416 4.230 . 0 0 "[ . 1 . 2]" 1
1226 1 88 ARG HA 1 92 LEU HG . . 4.880 3.846 3.351 4.266 . 0 0 "[ . 1 . 2]" 1
1227 1 88 ARG HB3 1 88 ARG QD . . 3.030 2.292 1.965 2.694 . 0 0 "[ . 1 . 2]" 1
1228 1 88 ARG HB3 1 89 GLU H . . 3.490 2.461 2.430 2.543 . 0 0 "[ . 1 . 2]" 1
1229 1 88 ARG HB3 1 90 GLN H . . 4.790 4.920 4.837 4.955 0.165 12 0 "[ . 1 . 2]" 1
1230 1 88 ARG HB3 1 92 LEU MD1 . . 4.650 3.951 3.509 4.663 0.013 8 0 "[ . 1 . 2]" 1
1231 1 88 ARG QD 1 92 LEU MD1 . . 3.930 2.741 1.967 3.680 . 0 0 "[ . 1 . 2]" 1
1232 1 88 ARG HG2 1 89 GLU H . . 4.350 3.502 3.126 3.740 . 0 0 "[ . 1 . 2]" 1
1233 1 88 ARG HG2 1 89 GLU HA . . 4.650 3.408 3.070 3.685 . 0 0 "[ . 1 . 2]" 1
1234 1 88 ARG HG2 1 92 LEU MD1 . . 3.500 2.099 1.804 2.976 . 0 0 "[ . 1 . 2]" 1
1235 1 89 GLU H 1 89 GLU QB . . 3.000 2.220 2.074 2.489 . 0 0 "[ . 1 . 2]" 1
1236 1 89 GLU H 1 89 GLU HG2 . . 4.240 3.734 1.948 4.635 0.395 3 0 "[ . 1 . 2]" 1
1237 1 89 GLU H 1 90 GLN H . . 3.200 2.779 2.644 2.805 . 0 0 "[ . 1 . 2]" 1
1238 1 89 GLU HA 1 89 GLU HG2 . . 3.870 2.653 2.164 3.422 . 0 0 "[ . 1 . 2]" 1
1239 1 89 GLU HA 1 92 LEU H . . 3.930 3.567 3.339 3.645 . 0 0 "[ . 1 . 2]" 1
1240 1 89 GLU HA 1 92 LEU HB2 . . 3.620 3.037 2.498 3.307 . 0 0 "[ . 1 . 2]" 1
1241 1 89 GLU HA 1 92 LEU HB3 . . 4.650 4.577 4.052 4.701 0.051 9 0 "[ . 1 . 2]" 1
1242 1 89 GLU HA 1 92 LEU MD1 . . 3.930 2.210 1.886 3.819 . 0 0 "[ . 1 . 2]" 1
1243 1 89 GLU HA 1 92 LEU HG . . 4.350 3.536 2.944 3.818 . 0 0 "[ . 1 . 2]" 1
1244 1 89 GLU QB 1 90 GLN H . . 3.280 2.658 2.628 2.724 . 0 0 "[ . 1 . 2]" 1
1245 1 89 GLU QB 1 91 VAL H . . 4.880 4.661 4.633 4.784 . 0 0 "[ . 1 . 2]" 1
1246 1 90 GLN H 1 90 GLN HB2 . . 3.320 2.284 2.053 2.451 . 0 0 "[ . 1 . 2]" 1
1247 1 90 GLN H 1 90 GLN HB3 . . 3.280 2.980 2.543 3.443 0.163 5 0 "[ . 1 . 2]" 1
1248 1 90 GLN H 1 90 GLN HG2 . . 4.350 4.057 3.353 4.496 0.146 4 0 "[ . 1 . 2]" 1
1249 1 90 GLN H 1 90 GLN HG3 . . 4.450 3.791 3.030 4.378 . 0 0 "[ . 1 . 2]" 1
1250 1 90 GLN H 1 91 VAL H . . 3.320 2.515 2.506 2.526 . 0 0 "[ . 1 . 2]" 1
1251 1 90 GLN H 1 91 VAL HB . . 4.830 4.635 4.502 4.761 . 0 0 "[ . 1 . 2]" 1
1252 1 90 GLN H 1 91 VAL QG . . 4.770 3.877 3.721 4.116 . 0 0 "[ . 1 . 2]" 1
1253 1 90 GLN H 1 92 LEU H . . 4.530 4.135 3.913 4.238 . 0 0 "[ . 1 . 2]" 1
1254 1 90 GLN HA 1 90 GLN HG2 . . 3.650 2.638 2.043 3.191 . 0 0 "[ . 1 . 2]" 1
1255 1 90 GLN HA 1 90 GLN HG3 . . 3.870 2.732 2.335 3.356 . 0 0 "[ . 1 . 2]" 1
1256 1 90 GLN HA 1 93 ARG H . . 4.140 3.367 3.253 3.756 . 0 0 "[ . 1 . 2]" 1
1257 1 90 GLN HA 1 93 ARG HD2 . . 4.480 3.487 2.168 5.004 0.524 18 1 "[ . 1 . + 2]" 1
1258 1 90 GLN HA 1 94 GLU H . . 5.200 4.945 3.857 5.232 0.032 10 0 "[ . 1 . 2]" 1
1259 1 90 GLN HB2 1 90 GLN HG3 . . 3.040 2.462 2.268 2.616 . 0 0 "[ . 1 . 2]" 1
1260 1 90 GLN HB2 1 91 VAL H . . 3.930 3.480 2.984 3.943 0.013 4 0 "[ . 1 . 2]" 1
1261 1 90 GLN HB3 1 90 GLN HG3 . . 2.990 3.009 2.896 3.056 0.066 12 0 "[ . 1 . 2]" 1
1262 1 90 GLN HB3 1 91 VAL H . . 3.650 3.119 2.716 3.499 . 0 0 "[ . 1 . 2]" 1
1263 1 90 GLN HB3 1 91 VAL QG . . 4.650 3.451 3.023 4.290 . 0 0 "[ . 1 . 2]" 1
1264 1 90 GLN HG2 1 91 VAL H . . 4.880 4.583 4.087 5.040 0.160 8 0 "[ . 1 . 2]" 1
1265 1 90 GLN HG3 1 91 VAL H . . 5.010 4.935 4.847 5.138 0.128 12 0 "[ . 1 . 2]" 1
1266 1 91 VAL H 1 91 VAL HB . . 3.130 2.373 2.191 2.493 . 0 0 "[ . 1 . 2]" 1
1267 1 91 VAL H 1 91 VAL QG . . 3.180 2.198 2.056 2.437 . 0 0 "[ . 1 . 2]" 1
1268 1 91 VAL H 1 93 ARG H . . 4.810 4.079 3.764 4.289 . 0 0 "[ . 1 . 2]" 1
1269 1 91 VAL HA 1 91 VAL QG . . 3.270 2.109 2.069 2.163 . 0 0 "[ . 1 . 2]" 1
1270 1 91 VAL HA 1 93 ARG H . . 5.020 4.313 3.848 4.631 . 0 0 "[ . 1 . 2]" 1
1271 1 91 VAL HA 1 94 GLU H . . 4.300 3.414 3.270 3.540 . 0 0 "[ . 1 . 2]" 1
1272 1 91 VAL HA 1 94 GLU HG2 . . 4.480 4.160 3.010 4.491 0.011 8 0 "[ . 1 . 2]" 1
1273 1 91 VAL HA 1 94 GLU HG3 . . 4.350 3.597 2.750 4.025 . 0 0 "[ . 1 . 2]" 1
1274 1 91 VAL HA 1 95 ALA H . . 4.750 3.859 3.039 4.171 . 0 0 "[ . 1 . 2]" 1
1275 1 91 VAL HA 1 95 ALA MB . . 4.880 4.360 3.805 4.790 . 0 0 "[ . 1 . 2]" 1
1276 1 91 VAL HB 1 92 LEU MD2 . . 4.650 4.186 3.490 4.621 . 0 0 "[ . 1 . 2]" 1
1277 1 91 VAL QG 1 92 LEU H . . 3.620 3.152 1.856 3.389 . 0 0 "[ . 1 . 2]" 1
1278 1 91 VAL QG 1 92 LEU HA . . 4.350 3.465 2.779 3.698 . 0 0 "[ . 1 . 2]" 1
1279 1 91 VAL QG 1 95 ALA H . . 4.990 3.361 2.984 3.634 . 0 0 "[ . 1 . 2]" 1
1280 1 91 VAL QG 1 95 ALA MB . . 3.930 2.624 2.307 3.325 . 0 0 "[ . 1 . 2]" 1
1281 1 92 LEU H 1 92 LEU HB2 . . 3.250 2.484 2.309 2.572 . 0 0 "[ . 1 . 2]" 1
1282 1 92 LEU H 1 92 LEU HB3 . . 3.760 3.532 3.510 3.535 . 0 0 "[ . 1 . 2]" 1
1283 1 92 LEU H 1 92 LEU MD1 . . 4.060 3.295 3.061 4.021 . 0 0 "[ . 1 . 2]" 1
1284 1 92 LEU H 1 92 LEU MD2 . . 3.900 3.399 2.661 3.647 . 0 0 "[ . 1 . 2]" 1
1285 1 92 LEU H 1 92 LEU HG . . 3.060 2.120 1.956 2.655 . 0 0 "[ . 1 . 2]" 1
1286 1 92 LEU H 1 93 ARG H . . 3.410 2.748 2.679 2.860 . 0 0 "[ . 1 . 2]" 1
1287 1 92 LEU H 1 94 GLU H . . 5.160 4.003 3.902 4.105 . 0 0 "[ . 1 . 2]" 1
1288 1 92 LEU HA 1 92 LEU MD1 . . 4.240 3.894 3.539 3.952 . 0 0 "[ . 1 . 2]" 1
1289 1 92 LEU HA 1 92 LEU MD2 . . 2.970 2.324 1.802 2.552 . 0 0 "[ . 1 . 2]" 1
1290 1 92 LEU HA 1 92 LEU HG . . 3.730 2.950 2.780 3.361 . 0 0 "[ . 1 . 2]" 1
1291 1 92 LEU HA 1 94 GLU H . . 4.650 3.727 3.595 4.522 . 0 0 "[ . 1 . 2]" 1
1292 1 92 LEU HA 1 95 ALA H . . 4.010 2.966 2.700 3.802 . 0 0 "[ . 1 . 2]" 1
1293 1 92 LEU HA 1 95 ALA MB . . 3.560 2.004 1.833 2.636 . 0 0 "[ . 1 . 2]" 1
1294 1 92 LEU HB2 1 92 LEU MD1 . . 3.240 2.211 2.004 2.705 . 0 0 "[ . 1 . 2]" 1
1295 1 92 LEU HB2 1 93 ARG H . . 3.510 2.723 2.535 3.102 . 0 0 "[ . 1 . 2]" 1
1296 1 92 LEU HB3 1 92 LEU MD2 . . 3.530 2.226 2.071 2.771 . 0 0 "[ . 1 . 2]" 1
1297 1 92 LEU HB3 1 93 ARG H . . 4.200 3.767 3.392 4.131 . 0 0 "[ . 1 . 2]" 1
1298 1 92 LEU MD1 1 93 ARG H . . 4.990 4.403 4.179 4.745 . 0 0 "[ . 1 . 2]" 1
1299 1 92 LEU MD2 1 93 ARG H . . 4.910 4.835 4.431 4.981 0.071 13 0 "[ . 1 . 2]" 1
1300 1 92 LEU MD2 1 95 ALA H . . 5.090 4.705 3.977 5.105 0.015 4 0 "[ . 1 . 2]" 1
1301 1 92 LEU HG 1 93 ARG H . . 4.240 4.386 4.303 4.601 0.361 18 0 "[ . 1 . 2]" 1
1302 1 93 ARG H 1 93 ARG HB2 . . 3.160 2.205 2.025 3.554 0.394 4 0 "[ . 1 . 2]" 1
1303 1 93 ARG H 1 93 ARG HD2 . . 4.140 4.004 2.331 5.016 0.876 13 3 "[ . 1- + . * 2]" 1
1304 1 93 ARG H 1 93 ARG HG2 . . 4.240 4.145 1.997 4.479 0.239 9 0 "[ . 1 . 2]" 1
1305 1 93 ARG H 1 95 ALA MB . . 5.140 4.627 4.477 4.780 . 0 0 "[ . 1 . 2]" 1
1306 1 93 ARG HA 1 93 ARG HG2 . . 3.820 2.940 2.595 3.732 . 0 0 "[ . 1 . 2]" 1
1307 1 93 ARG HA 1 95 ALA H . . 5.010 4.838 4.431 5.053 0.043 16 0 "[ . 1 . 2]" 1
1308 1 93 ARG HB2 1 93 ARG HD2 . . 3.430 3.087 2.299 3.555 0.125 18 0 "[ . 1 . 2]" 1
1309 1 93 ARG HB2 1 93 ARG HG2 . . 2.890 2.957 2.576 3.057 0.167 4 0 "[ . 1 . 2]" 1
1310 1 93 ARG HB2 1 94 GLU H . . 3.790 3.397 3.099 4.250 0.460 2 0 "[ . 1 . 2]" 1
1311 1 94 GLU H 1 94 GLU HB2 . . 3.760 2.530 2.329 2.658 . 0 0 "[ . 1 . 2]" 1
1312 1 94 GLU H 1 94 GLU HB3 . . 3.640 3.662 3.534 3.736 0.096 14 0 "[ . 1 . 2]" 1
1313 1 94 GLU H 1 94 GLU HG2 . . 4.060 2.642 2.338 2.977 . 0 0 "[ . 1 . 2]" 1
1314 1 94 GLU H 1 94 GLU HG3 . . 4.050 3.543 3.234 3.934 . 0 0 "[ . 1 . 2]" 1
1315 1 94 GLU H 1 95 ALA MB . . 4.350 3.667 3.530 4.181 . 0 0 "[ . 1 . 2]" 1
1316 1 94 GLU HA 1 94 GLU HG2 . . 3.730 2.718 2.472 3.420 . 0 0 "[ . 1 . 2]" 1
1317 1 94 GLU HA 1 94 GLU HG3 . . 4.140 3.766 3.667 3.835 . 0 0 "[ . 1 . 2]" 1
1318 1 94 GLU HB2 1 95 ALA H . . 4.340 2.718 2.427 3.061 . 0 0 "[ . 1 . 2]" 1
1319 1 94 GLU HB3 1 95 ALA H . . 4.350 3.795 3.310 4.154 . 0 0 "[ . 1 . 2]" 1
1320 1 94 GLU HG3 1 95 ALA H . . 4.850 4.735 4.580 5.264 0.414 5 0 "[ . 1 . 2]" 1
1321 1 95 ALA H 1 95 ALA MB . . 2.970 2.046 1.939 2.183 . 0 0 "[ . 1 . 2]" 1
1322 1 95 ALA H 1 96 ILE H . . 5.010 4.589 4.465 4.674 . 0 0 "[ . 1 . 2]" 1
1323 1 95 ALA HA 1 96 ILE H . . 3.100 2.229 2.186 2.409 . 0 0 "[ . 1 . 2]" 1
1324 1 95 ALA HA 1 96 ILE HG13 . . 4.880 4.495 3.747 5.075 0.195 16 0 "[ . 1 . 2]" 1
1325 1 95 ALA MB 1 96 ILE H . . 3.690 3.133 2.582 3.399 . 0 0 "[ . 1 . 2]" 1
1326 1 96 ILE H 1 96 ILE HB . . 3.840 3.793 3.715 3.875 0.035 4 0 "[ . 1 . 2]" 1
1327 1 96 ILE H 1 96 ILE MD . . 4.250 3.856 3.498 4.135 . 0 0 "[ . 1 . 2]" 1
1328 1 96 ILE H 1 96 ILE HG12 . . 3.830 2.808 2.309 3.491 . 0 0 "[ . 1 . 2]" 1
1329 1 96 ILE H 1 96 ILE HG13 . . 3.430 2.509 1.962 3.035 . 0 0 "[ . 1 . 2]" 1
1330 1 96 ILE H 1 96 ILE MG . . 4.140 3.033 2.780 3.272 . 0 0 "[ . 1 . 2]" 1
1331 1 96 ILE HA 1 96 ILE MD . . 4.650 3.952 3.591 4.138 . 0 0 "[ . 1 . 2]" 1
1332 1 96 ILE HA 1 96 ILE HG13 . . 4.140 3.617 3.544 3.700 . 0 0 "[ . 1 . 2]" 1
1333 1 96 ILE HA 1 96 ILE MG . . 3.310 2.258 2.159 2.365 . 0 0 "[ . 1 . 2]" 1
1334 1 96 ILE HA 1 97 PRO HD2 . . 3.250 2.437 2.233 2.625 . 0 0 "[ . 1 . 2]" 1
1335 1 96 ILE HA 1 97 PRO HD3 . . 3.090 1.931 1.909 1.993 . 0 0 "[ . 1 . 2]" 1
1336 1 96 ILE HA 1 97 PRO HG2 . . 4.880 4.452 4.346 4.572 . 0 0 "[ . 1 . 2]" 1
1337 1 96 ILE HA 1 97 PRO HG3 . . 4.880 4.194 4.176 4.224 . 0 0 "[ . 1 . 2]" 1
1338 1 96 ILE HB 1 96 ILE MD . . 3.320 2.154 1.967 2.326 . 0 0 "[ . 1 . 2]" 1
1339 1 96 ILE HB 1 97 PRO HD2 . . 3.690 2.745 2.260 3.376 . 0 0 "[ . 1 . 2]" 1
1340 1 96 ILE HB 1 97 PRO HD3 . . 4.140 3.651 3.217 4.151 0.011 12 0 "[ . 1 . 2]" 1
1341 1 96 ILE MD 1 97 PRO HD2 . . 4.880 4.170 3.099 4.847 . 0 0 "[ . 1 . 2]" 1
1342 1 96 ILE HG12 1 96 ILE MG . . 3.730 2.161 1.971 2.372 . 0 0 "[ . 1 . 2]" 1
1343 1 96 ILE HG13 1 96 ILE MG . . 3.270 3.071 2.741 3.233 . 0 0 "[ . 1 . 2]" 1
1344 1 96 ILE MG 1 97 PRO HD2 . . 3.650 3.610 3.415 3.759 0.109 12 0 "[ . 1 . 2]" 1
1345 1 96 ILE MG 1 97 PRO HD3 . . 4.140 3.732 3.586 3.853 . 0 0 "[ . 1 . 2]" 1
1346 1 97 PRO HA 1 98 LEU H . . 3.140 2.169 2.148 2.237 . 0 0 "[ . 1 . 2]" 1
1347 1 97 PRO HA 1 98 LEU HB2 . . 4.880 4.705 4.395 4.950 0.070 18 0 "[ . 1 . 2]" 1
1348 1 97 PRO HB2 1 98 LEU H . . 4.340 3.713 3.280 3.932 . 0 0 "[ . 1 . 2]" 1
1349 1 97 PRO HB3 1 98 LEU H . . 4.140 4.020 3.719 4.181 0.041 8 0 "[ . 1 . 2]" 1
1350 1 98 LEU H 1 98 LEU HB2 . . 3.450 2.914 2.522 3.530 0.080 18 0 "[ . 1 . 2]" 1
1351 1 98 LEU H 1 98 LEU HB3 . . 3.430 2.258 2.084 2.421 . 0 0 "[ . 1 . 2]" 1
1352 1 98 LEU H 1 98 LEU QD . . 4.340 3.435 2.728 3.704 . 0 0 "[ . 1 . 2]" 1
1353 1 98 LEU HA 1 98 LEU QD . . 3.250 2.799 2.080 3.114 . 0 0 "[ . 1 . 2]" 1
1354 1 98 LEU HB3 1 98 LEU QD . . 2.930 2.142 2.063 2.283 . 0 0 "[ . 1 . 2]" 1
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