NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463207 |
2k9p   |
15995 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k9p
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 1210
_Distance_constraint_stats_list.Viol_count 2166
_Distance_constraint_stats_list.Viol_total 5741.132
_Distance_constraint_stats_list.Viol_max 0.791
_Distance_constraint_stats_list.Viol_rms 0.0512
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0119
_Distance_constraint_stats_list.Viol_average_violations_only 0.1325
_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 SER 0.035 0.035 19 0 "[ . 1 . 2]"
1 5 THR 4.181 0.309 14 0 "[ . 1 . 2]"
1 6 ILE 5.917 0.309 14 0 "[ . 1 . 2]"
1 7 THR 7.281 0.239 5 0 "[ . 1 . 2]"
1 8 PHE 3.910 0.240 3 0 "[ . 1 . 2]"
1 9 ASP 5.687 0.339 8 0 "[ . 1 . 2]"
1 10 GLU 10.195 0.382 14 0 "[ . 1 . 2]"
1 11 LEU 6.057 0.382 14 0 "[ . 1 . 2]"
1 12 GLN 1.351 0.213 15 0 "[ . 1 . 2]"
1 13 GLY 0.927 0.264 10 0 "[ . 1 . 2]"
1 14 LEU 6.389 0.376 12 0 "[ . 1 . 2]"
1 15 VAL 10.902 0.622 5 6 "[ ** +** 1 . -2]"
1 16 ASN 0.066 0.066 10 0 "[ . 1 . 2]"
1 17 SER 1.697 0.262 19 0 "[ . 1 . 2]"
1 18 THR 12.725 0.622 5 6 "[ ** +** 1 . -2]"
1 19 VAL 18.712 0.695 12 3 "[* . - + . 2]"
1 20 THR 17.294 0.695 12 3 "[* . - + . 2]"
1 21 GLN 2.496 0.230 2 0 "[ . 1 . 2]"
1 22 ALA 0.763 0.099 12 0 "[ . 1 . 2]"
1 23 ILE 10.250 0.298 19 0 "[ . 1 . 2]"
1 24 LEU 16.889 0.594 15 2 "[ . 1 + -2]"
1 25 PHE 9.076 0.298 19 0 "[ . 1 . 2]"
1 26 GLY 1.679 0.337 4 0 "[ . 1 . 2]"
1 27 VAL 4.121 0.594 15 2 "[ . 1 + -2]"
1 28 ARG 8.628 0.375 5 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 1.028 0.167 15 0 "[ . 1 . 2]"
1 32 ALA 0.602 0.097 7 0 "[ . 1 . 2]"
1 33 ALA 6.724 0.244 18 0 "[ . 1 . 2]"
1 34 LEU 11.017 0.267 2 0 "[ . 1 . 2]"
1 35 THR 19.927 0.531 5 1 "[ + 1 . 2]"
1 36 LEU 19.566 0.445 3 0 "[ . 1 . 2]"
1 37 ILE 1.352 0.140 6 0 "[ . 1 . 2]"
1 38 VAL 15.919 0.531 5 1 "[ + 1 . 2]"
1 39 VAL 18.943 0.347 3 0 "[ . 1 . 2]"
1 40 TRP 6.092 0.538 5 4 "[* - + * . 2]"
1 41 ILE 19.366 0.550 13 7 "[* - * * * +*. 2]"
1 42 THR 13.012 0.550 13 3 "[ . - 1 +*. 2]"
1 43 SER 4.792 0.359 12 0 "[ . 1 . 2]"
1 44 ARG 3.114 0.299 16 0 "[ . 1 . 2]"
1 45 SER 2.400 0.292 2 0 "[ . 1 . 2]"
1 46 ARG 1.181 0.182 20 0 "[ . 1 . 2]"
1 47 LYS 1.827 0.182 20 0 "[ . 1 . 2]"
1 48 THR 5.341 0.385 9 0 "[ . 1 . 2]"
1 49 PRO 15.358 0.578 15 4 "[ . - 1 + * *2]"
1 50 ILE 1.655 0.242 11 0 "[ . 1 . 2]"
1 51 PHE 1.512 0.319 5 0 "[ . 1 . 2]"
1 52 ILE 16.777 0.578 15 4 "[ . - 1 + * *2]"
1 53 ILE 6.659 0.385 9 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLN 0.518 0.183 1 0 "[ . 1 . 2]"
1 56 VAL 13.681 0.447 11 0 "[ . 1 . 2]"
1 57 SER 5.929 0.364 4 0 "[ . 1 . 2]"
1 58 LEU 2.752 0.294 15 0 "[ . 1 . 2]"
1 59 PHE 6.193 0.364 4 0 "[ . 1 . 2]"
1 60 LEU 12.845 0.447 11 0 "[ . 1 . 2]"
1 61 ILE 25.836 0.615 17 6 "[ .** * - *. + 2]"
1 62 ILE 1.864 0.294 15 0 "[ . 1 . 2]"
1 63 LEU 31.066 0.615 17 6 "[ .** - * *. + 2]"
1 64 HIS 9.548 0.519 12 1 "[ . 1 + . 2]"
1 65 SER 4.819 0.317 20 0 "[ . 1 . 2]"
1 66 ALA 2.685 0.287 20 0 "[ . 1 . 2]"
1 67 LEU 9.855 0.405 1 0 "[ . 1 . 2]"
1 68 TYR 0.131 0.070 20 0 "[ . 1 . 2]"
1 69 PHE 2.892 0.238 14 0 "[ . 1 . 2]"
1 70 LYS 11.497 0.616 14 1 "[ . 1 +. 2]"
1 71 TYR 2.340 0.253 15 0 "[ . 1 . 2]"
1 72 LEU 6.309 0.791 14 1 "[ . 1 +. 2]"
1 73 LEU 10.291 0.791 14 1 "[ . 1 +. 2]"
1 74 SER 5.453 0.739 14 1 "[ . 1 +. 2]"
1 75 ASN 2.299 0.204 11 0 "[ . 1 . 2]"
1 76 TYR 1.277 0.182 11 0 "[ . 1 . 2]"
1 77 SER 0.833 0.193 11 0 "[ . 1 . 2]"
1 78 SER 1.352 0.203 11 0 "[ . 1 . 2]"
1 79 VAL 9.730 0.382 13 0 "[ . 1 . 2]"
1 80 THR 9.045 0.382 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 SER H 1 4 SER QB . . 3.730 2.759 2.356 3.164 . 0 0 "[ . 1 . 2]" 1
2 1 4 SER HA 1 5 THR H . . 2.500 2.285 2.102 2.463 . 0 0 "[ . 1 . 2]" 1
3 1 4 SER HA 1 6 ILE H . . 3.690 3.555 3.407 3.686 . 0 0 "[ . 1 . 2]" 1
4 1 4 SER HA 1 6 ILE MD . . 4.610 3.038 2.292 4.380 . 0 0 "[ . 1 . 2]" 1
5 1 4 SER QB 1 6 ILE MD . . 5.190 4.030 3.390 5.225 0.035 19 0 "[ . 1 . 2]" 1
6 1 5 THR H 1 5 THR HB . . 3.690 2.965 2.725 3.210 . 0 0 "[ . 1 . 2]" 1
7 1 5 THR H 1 5 THR MG . . 3.430 2.631 2.075 3.435 0.005 2 0 "[ . 1 . 2]" 1
8 1 5 THR H 1 6 ILE H . . 3.250 2.755 2.459 3.067 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR H 1 6 ILE MD . . 4.580 2.937 1.969 4.760 0.180 9 0 "[ . 1 . 2]" 1
10 1 5 THR H 1 6 ILE QG . . 4.480 3.710 3.166 4.573 0.093 14 0 "[ . 1 . 2]" 1
11 1 5 THR HA 1 5 THR HB . . 2.850 2.456 2.397 2.511 . 0 0 "[ . 1 . 2]" 1
12 1 5 THR HA 1 5 THR MG . . 3.420 3.263 3.250 3.274 . 0 0 "[ . 1 . 2]" 1
13 1 5 THR HA 1 6 ILE H . . 3.050 2.892 2.800 3.081 0.031 1 0 "[ . 1 . 2]" 1
14 1 5 THR HA 1 6 ILE MD . . 4.930 4.384 3.964 5.026 0.096 9 0 "[ . 1 . 2]" 1
15 1 5 THR HB 1 6 ILE H . . 4.780 4.614 4.542 4.691 . 0 0 "[ . 1 . 2]" 1
16 1 5 THR HB 1 6 ILE MD . . 5.320 5.017 4.268 5.559 0.239 9 0 "[ . 1 . 2]" 1
17 1 5 THR MG 1 6 ILE H . . 3.800 3.808 3.494 3.980 0.180 4 0 "[ . 1 . 2]" 1
18 1 5 THR MG 1 6 ILE HA . . 4.280 4.014 3.773 4.322 0.042 15 0 "[ . 1 . 2]" 1
19 1 5 THR MG 1 6 ILE MD . . 4.190 3.352 2.370 4.499 0.309 14 0 "[ . 1 . 2]" 1
20 1 6 ILE H 1 6 ILE HB . . 2.940 2.735 2.565 2.979 0.039 15 0 "[ . 1 . 2]" 1
21 1 6 ILE H 1 6 ILE MD . . 3.440 2.422 1.766 3.229 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE H 1 6 ILE HG12 . . 4.460 3.506 2.094 4.494 0.034 15 0 "[ . 1 . 2]" 1
23 1 6 ILE H 1 6 ILE QG . . 3.380 2.728 2.080 3.390 0.010 15 0 "[ . 1 . 2]" 1
24 1 6 ILE H 1 6 ILE HG13 . . 4.460 3.238 2.543 3.704 . 0 0 "[ . 1 . 2]" 1
25 1 6 ILE H 1 6 ILE MG . . 4.050 3.869 3.751 4.021 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE HA 1 6 ILE MD . . 3.790 3.251 2.174 3.738 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE HA 1 6 ILE HG12 . . 4.030 3.563 3.274 3.782 . 0 0 "[ . 1 . 2]" 1
28 1 6 ILE HA 1 6 ILE QG . . 3.530 2.764 2.503 3.220 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE HA 1 6 ILE HG13 . . 4.030 3.016 2.556 3.876 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE HA 1 6 ILE MG . . 3.340 2.267 2.195 2.326 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE HA 1 7 THR H . . 2.970 2.342 2.255 2.431 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE HA 1 7 THR HA . . 4.420 4.391 4.362 4.416 . 0 0 "[ . 1 . 2]" 1
33 1 6 ILE HB 1 6 ILE MD . . 3.640 2.540 2.144 3.289 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE HB 1 7 THR H . . 3.820 3.631 3.322 3.913 0.093 6 0 "[ . 1 . 2]" 1
35 1 6 ILE HB 1 10 GLU QB . . 4.940 3.751 3.332 4.999 0.059 13 0 "[ . 1 . 2]" 1
36 1 6 ILE MD 1 10 GLU QG . . 4.540 3.795 2.404 4.617 0.077 7 0 "[ . 1 . 2]" 1
37 1 6 ILE QG 1 6 ILE MG . . 3.080 2.099 2.019 2.254 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE QG 1 7 THR H . . 4.690 4.332 4.177 4.642 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE HG12 1 7 THR H . . 5.300 4.981 4.800 5.197 . 0 0 "[ . 1 . 2]" 1
40 1 6 ILE HG13 1 7 THR H . . 5.300 4.768 4.550 5.226 . 0 0 "[ . 1 . 2]" 1
41 1 6 ILE MG 1 7 THR H . . 3.310 2.078 1.868 2.234 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE MG 1 7 THR HA . . 4.310 4.165 4.128 4.243 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE MG 1 7 THR HB . . 4.490 3.915 3.815 4.080 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE MG 1 10 GLU HB2 . . 4.370 3.803 2.231 4.531 0.161 13 0 "[ . 1 . 2]" 1
45 1 6 ILE MG 1 10 GLU QB . . 3.770 3.125 2.191 3.890 0.120 3 0 "[ . 1 . 2]" 1
46 1 6 ILE MG 1 10 GLU HB3 . . 4.370 3.557 2.290 4.514 0.144 15 0 "[ . 1 . 2]" 1
47 1 6 ILE MG 1 10 GLU QG . . 3.990 2.200 1.910 2.917 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR H 1 7 THR MG . . 3.390 3.249 3.077 3.462 0.072 10 0 "[ . 1 . 2]" 1
49 1 7 THR H 1 8 PHE H . . 4.900 4.624 4.570 4.648 . 0 0 "[ . 1 . 2]" 1
50 1 7 THR H 1 9 ASP QB . . 5.210 4.781 4.339 5.265 0.055 13 0 "[ . 1 . 2]" 1
51 1 7 THR HA 1 7 THR MG . . 3.050 2.181 2.137 2.198 . 0 0 "[ . 1 . 2]" 1
52 1 7 THR HA 1 8 PHE H . . 3.370 2.437 2.282 2.675 . 0 0 "[ . 1 . 2]" 1
53 1 7 THR HA 1 8 PHE HA . . 5.220 4.363 4.303 4.434 . 0 0 "[ . 1 . 2]" 1
54 1 7 THR HA 1 8 PHE QB . . 4.770 4.568 4.402 4.792 0.022 10 0 "[ . 1 . 2]" 1
55 1 7 THR HA 1 9 ASP H . . 4.250 4.162 4.004 4.361 0.111 20 0 "[ . 1 . 2]" 1
56 1 7 THR HB 1 8 PHE H . . 3.650 2.748 2.497 2.971 . 0 0 "[ . 1 . 2]" 1
57 1 7 THR HB 1 8 PHE HA . . 4.690 4.614 4.499 4.737 0.047 19 0 "[ . 1 . 2]" 1
58 1 7 THR HB 1 8 PHE QB . . 4.600 4.397 4.115 4.801 0.201 18 0 "[ . 1 . 2]" 1
59 1 7 THR HB 1 9 ASP H . . 3.300 2.161 1.986 2.271 . 0 0 "[ . 1 . 2]" 1
60 1 7 THR HB 1 9 ASP HA . . 4.640 4.715 4.495 4.871 0.231 13 0 "[ . 1 . 2]" 1
61 1 7 THR HB 1 10 GLU QG . . 4.590 4.629 4.118 4.829 0.239 5 0 "[ . 1 . 2]" 1
62 1 7 THR MG 1 8 PHE H . . 3.660 2.459 2.099 2.737 . 0 0 "[ . 1 . 2]" 1
63 1 7 THR MG 1 8 PHE QB . . 4.450 4.026 3.645 4.524 0.074 12 0 "[ . 1 . 2]" 1
64 1 7 THR MG 1 9 ASP H . . 3.950 3.531 3.077 3.788 . 0 0 "[ . 1 . 2]" 1
65 1 7 THR MG 1 10 GLU QG . . 5.370 5.435 5.030 5.596 0.226 8 0 "[ . 1 . 2]" 1
66 1 8 PHE H 1 8 PHE QB . . 3.310 2.405 2.219 2.598 . 0 0 "[ . 1 . 2]" 1
67 1 8 PHE H 1 9 ASP H . . 3.410 2.763 2.442 2.882 . 0 0 "[ . 1 . 2]" 1
68 1 8 PHE H 1 10 GLU H . . 4.990 4.909 4.667 5.119 0.129 14 0 "[ . 1 . 2]" 1
69 1 8 PHE HA 1 11 LEU H . . 3.940 3.319 3.221 3.409 . 0 0 "[ . 1 . 2]" 1
70 1 8 PHE HA 1 11 LEU HB2 . . 3.680 2.990 2.151 3.487 . 0 0 "[ . 1 . 2]" 1
71 1 8 PHE HA 1 11 LEU HB3 . . 5.140 4.584 3.563 5.065 . 0 0 "[ . 1 . 2]" 1
72 1 8 PHE HA 1 11 LEU QD . . 3.590 2.860 2.286 3.263 . 0 0 "[ . 1 . 2]" 1
73 1 8 PHE HA 1 11 LEU HG . . 4.730 4.016 2.278 4.811 0.081 19 0 "[ . 1 . 2]" 1
74 1 8 PHE QB 1 9 ASP H . . 3.620 3.325 3.077 3.788 0.168 18 0 "[ . 1 . 2]" 1
75 1 8 PHE QB 1 9 ASP HA . . 4.370 4.272 4.132 4.610 0.240 3 0 "[ . 1 . 2]" 1
76 1 8 PHE QB 1 9 ASP QB . . 5.220 4.936 4.436 5.289 0.069 3 0 "[ . 1 . 2]" 1
77 1 8 PHE QB 1 11 LEU HB2 . . 4.460 3.544 3.304 3.787 . 0 0 "[ . 1 . 2]" 1
78 1 8 PHE QB 1 11 LEU HB3 . . 4.970 4.692 4.171 5.023 0.053 5 0 "[ . 1 . 2]" 1
79 1 8 PHE QB 1 11 LEU QD . . 4.280 3.865 2.607 4.392 0.112 4 0 "[ . 1 . 2]" 1
80 1 9 ASP H 1 9 ASP QB . . 3.140 2.327 2.024 2.686 . 0 0 "[ . 1 . 2]" 1
81 1 9 ASP H 1 10 GLU H . . 3.480 2.919 2.765 3.068 . 0 0 "[ . 1 . 2]" 1
82 1 9 ASP H 1 11 LEU QB . . 5.340 5.151 4.575 5.371 0.031 11 0 "[ . 1 . 2]" 1
83 1 9 ASP H 1 11 LEU QD . . 5.500 5.244 4.526 5.611 0.111 11 0 "[ . 1 . 2]" 1
84 1 9 ASP HA 1 12 GLN H . . 3.830 3.508 3.305 3.844 0.014 19 0 "[ . 1 . 2]" 1
85 1 9 ASP HA 1 12 GLN QB . . 3.610 2.617 2.156 3.087 . 0 0 "[ . 1 . 2]" 1
86 1 9 ASP HA 1 12 GLN HG2 . . 4.680 4.140 3.255 4.857 0.177 14 0 "[ . 1 . 2]" 1
87 1 9 ASP HA 1 12 GLN QG . . 3.900 3.033 2.314 3.584 . 0 0 "[ . 1 . 2]" 1
88 1 9 ASP HA 1 12 GLN HG3 . . 4.680 3.157 2.328 3.800 . 0 0 "[ . 1 . 2]" 1
89 1 9 ASP QB 1 10 GLU H . . 3.800 2.565 2.191 2.823 . 0 0 "[ . 1 . 2]" 1
90 1 9 ASP QB 1 10 GLU QB . . 4.890 4.435 4.034 4.780 . 0 0 "[ . 1 . 2]" 1
91 1 9 ASP QB 1 10 GLU QG . . 4.090 3.822 3.070 4.429 0.339 8 0 "[ . 1 . 2]" 1
92 1 9 ASP QB 1 11 LEU H . . 5.110 4.808 4.430 5.032 . 0 0 "[ . 1 . 2]" 1
93 1 9 ASP QB 1 12 GLN QB . . 4.750 4.342 3.902 4.758 0.008 14 0 "[ . 1 . 2]" 1
94 1 10 GLU H 1 10 GLU HB2 . . 4.120 3.127 2.629 3.661 . 0 0 "[ . 1 . 2]" 1
95 1 10 GLU H 1 10 GLU QB . . 3.500 2.621 2.452 2.788 . 0 0 "[ . 1 . 2]" 1
96 1 10 GLU H 1 10 GLU HB3 . . 4.120 3.196 2.495 3.657 . 0 0 "[ . 1 . 2]" 1
97 1 10 GLU H 1 10 GLU QG . . 3.240 2.175 2.008 2.490 . 0 0 "[ . 1 . 2]" 1
98 1 10 GLU HA 1 10 GLU QG . . 3.350 3.149 2.485 3.522 0.172 13 0 "[ . 1 . 2]" 1
99 1 10 GLU QB 1 11 LEU H . . 3.730 2.857 2.239 3.475 . 0 0 "[ . 1 . 2]" 1
100 1 10 GLU QB 1 11 LEU QD . . 4.390 3.258 2.493 4.392 0.002 8 0 "[ . 1 . 2]" 1
101 1 10 GLU QG 1 11 LEU HB2 . . 5.500 4.862 3.492 5.882 0.382 14 0 "[ . 1 . 2]" 1
102 1 10 GLU QG 1 11 LEU QD . . 4.120 3.532 2.046 4.256 0.136 6 0 "[ . 1 . 2]" 1
103 1 11 LEU H 1 11 LEU HB2 . . 3.430 2.348 2.147 2.727 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU H 1 11 LEU QB . . 3.270 2.315 2.127 2.652 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU H 1 11 LEU HB3 . . 3.950 3.560 3.454 3.635 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU H 1 11 LEU MD1 . . 4.240 3.610 2.145 4.031 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU H 1 11 LEU QD . . 3.350 2.640 2.135 3.326 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU H 1 11 LEU MD2 . . 4.240 2.981 2.327 3.924 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU H 1 11 LEU HG . . 4.480 3.456 2.000 4.249 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU H 1 12 GLN H . . 3.040 2.718 2.644 2.873 . 0 0 "[ . 1 . 2]" 1
111 1 11 LEU HA 1 11 LEU MD1 . . 3.890 2.827 2.072 3.953 0.063 18 0 "[ . 1 . 2]" 1
112 1 11 LEU HA 1 11 LEU QD . . 3.100 2.163 1.980 2.631 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU HA 1 11 LEU MD2 . . 3.890 2.642 2.095 3.826 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU HA 1 11 LEU HG . . 4.050 3.322 2.523 3.747 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU HA 1 14 LEU H . . 4.730 3.524 3.360 3.657 . 0 0 "[ . 1 . 2]" 1
116 1 11 LEU HA 1 14 LEU HA . . 5.500 5.316 5.039 5.629 0.129 10 0 "[ . 1 . 2]" 1
117 1 11 LEU HA 1 14 LEU HB2 . . 4.810 3.259 2.098 4.952 0.142 10 0 "[ . 1 . 2]" 1
118 1 11 LEU HA 1 14 LEU QB . . 4.020 2.728 2.076 4.049 0.029 10 0 "[ . 1 . 2]" 1
119 1 11 LEU HA 1 14 LEU HB3 . . 4.810 3.542 3.308 4.296 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU HA 1 14 LEU QD . . 3.560 2.234 2.020 2.514 . 0 0 "[ . 1 . 2]" 1
121 1 11 LEU HA 1 14 LEU HG . . 4.390 3.605 2.042 4.406 0.016 8 0 "[ . 1 . 2]" 1
122 1 11 LEU QB 1 12 GLN H . . 3.350 2.543 2.403 2.731 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU HB2 1 12 GLN H . . 4.030 2.658 2.445 2.869 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU HB2 1 12 GLN QG . . 4.500 3.741 3.204 4.455 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU HB3 1 11 LEU MD1 . . 3.650 2.501 2.268 3.263 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU HB3 1 11 LEU QD . . 3.030 2.227 2.071 2.332 . 0 0 "[ . 1 . 2]" 1
127 1 11 LEU HB3 1 11 LEU MD2 . . 3.650 2.798 2.274 3.257 . 0 0 "[ . 1 . 2]" 1
128 1 11 LEU HB3 1 12 GLN H . . 4.110 3.319 2.864 3.701 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU HB3 1 12 GLN QG . . 4.560 4.197 3.523 4.632 0.072 15 0 "[ . 1 . 2]" 1
130 1 11 LEU QD 1 12 GLN H . . 4.730 3.979 3.821 4.083 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU QD 1 12 GLN QG . . 5.280 4.666 4.211 5.323 0.043 11 0 "[ . 1 . 2]" 1
132 1 11 LEU QD 1 14 LEU QB . . 4.840 3.607 2.937 4.198 . 0 0 "[ . 1 . 2]" 1
133 1 11 LEU QD 1 14 LEU QD . . 2.880 2.246 1.887 2.911 0.031 14 0 "[ . 1 . 2]" 1
134 1 11 LEU HG 1 14 LEU QD . . 4.250 4.043 2.608 4.626 0.376 12 0 "[ . 1 . 2]" 1
135 1 12 GLN H 1 12 GLN QB . . 3.090 2.466 2.160 2.653 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLN H 1 12 GLN HG2 . . 4.010 2.673 2.127 3.540 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLN H 1 12 GLN QG . . 3.480 2.366 2.106 2.839 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLN H 1 12 GLN HG3 . . 4.010 3.092 2.272 3.911 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLN H 1 13 GLY H . . 3.320 2.927 2.796 3.107 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLN H 1 14 LEU H . . 4.770 4.280 4.029 4.748 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLN HA 1 12 GLN HG2 . . 3.890 2.670 2.386 3.037 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLN HA 1 12 GLN HG3 . . 3.890 3.618 3.036 3.865 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLN HA 1 15 VAL QG . . 3.710 2.872 2.012 3.923 0.213 15 0 "[ . 1 . 2]" 1
144 1 12 GLN QB 1 13 GLY H . . 3.550 2.438 2.207 2.773 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLN QG 1 13 GLY H . . 4.220 4.088 3.890 4.269 0.049 12 0 "[ . 1 . 2]" 1
146 1 12 GLN HG2 1 13 GLY H . . 4.830 4.647 4.336 4.936 0.106 1 0 "[ . 1 . 2]" 1
147 1 12 GLN HG3 1 13 GLY H . . 4.830 4.581 4.161 4.827 . 0 0 "[ . 1 . 2]" 1
148 1 13 GLY H 1 14 LEU H . . 3.070 2.853 2.759 2.982 . 0 0 "[ . 1 . 2]" 1
149 1 13 GLY H 1 14 LEU QB . . 4.870 4.656 4.408 5.134 0.264 10 0 "[ . 1 . 2]" 1
150 1 13 GLY H 1 16 ASN QB . . 4.910 4.387 4.229 4.976 0.066 10 0 "[ . 1 . 2]" 1
151 1 13 GLY QA 1 14 LEU H . . 3.430 2.735 2.612 2.838 . 0 0 "[ . 1 . 2]" 1
152 1 13 GLY QA 1 14 LEU HA . . 4.590 4.098 3.990 4.185 . 0 0 "[ . 1 . 2]" 1
153 1 13 GLY QA 1 16 ASN H . . 4.310 3.452 3.236 3.656 . 0 0 "[ . 1 . 2]" 1
154 1 13 GLY QA 1 16 ASN QB . . 4.330 2.364 2.189 3.285 . 0 0 "[ . 1 . 2]" 1
155 1 14 LEU H 1 14 LEU HB2 . . 3.770 2.719 2.063 3.659 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU H 1 14 LEU QB . . 3.260 2.188 2.046 2.463 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU H 1 14 LEU HB3 . . 3.770 3.000 2.211 3.531 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU H 1 14 LEU MD1 . . 4.400 3.749 3.318 4.254 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU H 1 14 LEU QD . . 3.450 3.283 3.020 3.373 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU H 1 14 LEU MD2 . . 4.400 3.837 3.165 4.262 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU H 1 14 LEU HG . . 3.400 2.982 2.325 3.269 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU H 1 15 VAL H . . 3.250 2.979 2.820 3.145 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU H 1 15 VAL QG . . 4.370 4.242 3.857 4.481 0.111 11 0 "[ . 1 . 2]" 1
164 1 14 LEU HA 1 14 LEU MD1 . . 4.270 3.671 3.475 3.820 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU HA 1 14 LEU QD . . 3.210 2.776 2.219 3.382 0.172 10 0 "[ . 1 . 2]" 1
166 1 14 LEU HA 1 14 LEU MD2 . . 4.270 3.124 2.234 4.198 . 0 0 "[ . 1 . 2]" 1
167 1 14 LEU HA 1 14 LEU HG . . 3.930 2.974 2.293 3.761 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU HA 1 19 VAL HB . . 5.500 4.759 4.185 5.725 0.225 1 0 "[ . 1 . 2]" 1
169 1 14 LEU QB 1 14 LEU QD . . 2.690 1.895 1.855 1.946 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU QB 1 15 VAL H . . 4.270 2.825 2.259 3.673 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU QB 1 19 VAL QG . . 3.950 3.743 3.159 4.130 0.180 2 0 "[ . 1 . 2]" 1
172 1 14 LEU QD 1 18 THR HB . . 5.280 2.874 2.269 3.669 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU QD 1 19 VAL HA . . 5.050 4.182 3.818 5.147 0.097 1 0 "[ . 1 . 2]" 1
174 1 14 LEU QD 1 19 VAL HB . . 4.970 2.922 1.981 4.240 . 0 0 "[ . 1 . 2]" 1
175 1 14 LEU QD 1 19 VAL QG . . 3.180 2.769 1.885 3.314 0.134 14 0 "[ . 1 . 2]" 1
176 1 15 VAL H 1 15 VAL HB . . 3.520 2.817 2.403 3.733 0.213 3 0 "[ . 1 . 2]" 1
177 1 15 VAL H 1 15 VAL MG1 . . 3.940 2.732 2.070 3.891 . 0 0 "[ . 1 . 2]" 1
178 1 15 VAL H 1 15 VAL QG . . 3.070 2.182 1.964 2.517 . 0 0 "[ . 1 . 2]" 1
179 1 15 VAL H 1 15 VAL MG2 . . 3.940 3.048 2.100 3.860 . 0 0 "[ . 1 . 2]" 1
180 1 15 VAL HA 1 15 VAL MG1 . . 3.320 2.786 2.235 3.250 . 0 0 "[ . 1 . 2]" 1
181 1 15 VAL HA 1 15 VAL MG2 . . 3.320 2.483 2.147 3.259 . 0 0 "[ . 1 . 2]" 1
182 1 15 VAL HA 1 18 THR HB . . 4.820 4.828 4.504 4.991 0.171 15 0 "[ . 1 . 2]" 1
183 1 15 VAL HA 1 18 THR MG . . 5.500 5.901 5.390 6.122 0.622 5 6 "[ ** +** 1 . -2]" 1
184 1 15 VAL HB 1 16 ASN H . . 4.410 3.822 2.930 4.184 . 0 0 "[ . 1 . 2]" 1
185 1 15 VAL QG 1 16 ASN H . . 3.700 2.763 2.369 3.684 . 0 0 "[ . 1 . 2]" 1
186 1 15 VAL QG 1 16 ASN HA . . 4.310 3.582 3.300 4.301 . 0 0 "[ . 1 . 2]" 1
187 1 15 VAL QG 1 19 VAL QG . . 3.270 2.521 1.909 3.250 . 0 0 "[ . 1 . 2]" 1
188 1 15 VAL QG 1 20 THR H . . 4.960 4.363 3.774 4.882 . 0 0 "[ . 1 . 2]" 1
189 1 15 VAL MG1 1 16 ASN H . . 4.670 3.217 2.393 4.295 . 0 0 "[ . 1 . 2]" 1
190 1 15 VAL MG2 1 16 ASN H . . 4.670 3.720 2.386 4.171 . 0 0 "[ . 1 . 2]" 1
191 1 17 SER H 1 20 THR MG . . 4.560 4.085 2.989 4.432 . 0 0 "[ . 1 . 2]" 1
192 1 17 SER HA 1 20 THR HB . . 4.540 4.529 3.923 4.802 0.262 19 0 "[ . 1 . 2]" 1
193 1 17 SER HA 1 20 THR MG . . 4.300 2.294 2.192 2.367 . 0 0 "[ . 1 . 2]" 1
194 1 17 SER QB 1 18 THR H . . 4.450 3.801 2.478 4.111 . 0 0 "[ . 1 . 2]" 1
195 1 17 SER HB2 1 20 THR MG . . 4.920 4.414 3.826 4.912 . 0 0 "[ . 1 . 2]" 1
196 1 17 SER HB3 1 20 THR MG . . 4.920 4.390 3.877 4.900 . 0 0 "[ . 1 . 2]" 1
197 1 18 THR H 1 18 THR HB . . 3.970 2.830 2.542 3.053 . 0 0 "[ . 1 . 2]" 1
198 1 18 THR H 1 18 THR MG . . 4.080 3.973 3.816 4.079 . 0 0 "[ . 1 . 2]" 1
199 1 18 THR H 1 20 THR H . . 4.240 3.193 2.868 3.879 . 0 0 "[ . 1 . 2]" 1
200 1 18 THR H 1 20 THR HB . . 5.200 4.725 4.314 5.364 0.164 10 0 "[ . 1 . 2]" 1
201 1 18 THR H 1 20 THR MG . . 5.370 3.168 2.889 3.941 . 0 0 "[ . 1 . 2]" 1
202 1 18 THR HA 1 18 THR MG . . 3.330 2.322 2.182 2.473 . 0 0 "[ . 1 . 2]" 1
203 1 18 THR HA 1 19 VAL HA . . 4.900 4.715 4.678 4.789 . 0 0 "[ . 1 . 2]" 1
204 1 18 THR HA 1 21 GLN H . . 4.300 3.956 3.661 4.282 . 0 0 "[ . 1 . 2]" 1
205 1 18 THR HA 1 21 GLN QB . . 3.940 3.248 2.963 4.016 0.076 12 0 "[ . 1 . 2]" 1
206 1 18 THR HA 1 21 GLN QG . . 5.500 4.783 3.725 5.490 . 0 0 "[ . 1 . 2]" 1
207 1 18 THR HB 1 19 VAL H . . 3.960 2.320 2.076 2.553 . 0 0 "[ . 1 . 2]" 1
208 1 18 THR HB 1 19 VAL HA . . 4.500 4.337 4.213 4.552 0.052 15 0 "[ . 1 . 2]" 1
209 1 18 THR HB 1 19 VAL HB . . 5.430 4.048 3.785 4.561 . 0 0 "[ . 1 . 2]" 1
210 1 18 THR HB 1 19 VAL MG1 . . 5.200 4.761 4.182 5.551 0.351 7 0 "[ . 1 . 2]" 1
211 1 18 THR HB 1 19 VAL QG . . 4.110 3.968 3.177 4.388 0.278 15 0 "[ . 1 . 2]" 1
212 1 18 THR HB 1 19 VAL MG2 . . 5.200 4.605 3.198 5.275 0.075 15 0 "[ . 1 . 2]" 1
213 1 18 THR MG 1 19 VAL H . . 4.890 3.385 2.847 3.743 . 0 0 "[ . 1 . 2]" 1
214 1 18 THR MG 1 19 VAL HA . . 4.290 3.757 3.263 4.245 . 0 0 "[ . 1 . 2]" 1
215 1 18 THR MG 1 19 VAL HB . . 5.500 4.466 3.994 5.447 . 0 0 "[ . 1 . 2]" 1
216 1 18 THR MG 1 21 GLN H . . 5.500 5.177 4.902 5.618 0.118 7 0 "[ . 1 . 2]" 1
217 1 18 THR MG 1 21 GLN QB . . 4.760 4.406 4.208 4.634 . 0 0 "[ . 1 . 2]" 1
218 1 18 THR MG 1 22 ALA MB . . 4.550 4.459 4.028 4.649 0.099 12 0 "[ . 1 . 2]" 1
219 1 19 VAL H 1 19 VAL HB . . 3.850 2.351 2.213 2.499 . 0 0 "[ . 1 . 2]" 1
220 1 19 VAL H 1 19 VAL MG1 . . 3.790 2.919 2.341 3.787 . 0 0 "[ . 1 . 2]" 1
221 1 19 VAL H 1 19 VAL QG . . 3.090 2.576 2.321 2.865 . 0 0 "[ . 1 . 2]" 1
222 1 19 VAL H 1 19 VAL MG2 . . 3.790 3.458 2.464 3.820 0.030 6 0 "[ . 1 . 2]" 1
223 1 19 VAL H 1 20 THR H . . 3.530 2.688 2.604 2.764 . 0 0 "[ . 1 . 2]" 1
224 1 19 VAL H 1 20 THR HB . . 4.600 4.904 4.742 5.043 0.443 10 0 "[ . 1 . 2]" 1
225 1 19 VAL H 1 20 THR MG . . 4.740 4.123 3.833 4.473 . 0 0 "[ . 1 . 2]" 1
226 1 19 VAL HA 1 19 VAL QG . . 3.150 2.178 2.057 2.262 . 0 0 "[ . 1 . 2]" 1
227 1 19 VAL HA 1 20 THR HA . . 5.020 4.844 4.797 4.909 . 0 0 "[ . 1 . 2]" 1
228 1 19 VAL HA 1 20 THR MG . . 5.240 5.175 5.001 5.260 0.020 19 0 "[ . 1 . 2]" 1
229 1 19 VAL HA 1 22 ALA H . . 4.040 3.421 3.088 3.594 . 0 0 "[ . 1 . 2]" 1
230 1 19 VAL HA 1 22 ALA MB . . 3.280 2.846 2.490 3.025 . 0 0 "[ . 1 . 2]" 1
231 1 19 VAL HB 1 20 THR H . . 4.200 3.484 2.648 3.820 . 0 0 "[ . 1 . 2]" 1
232 1 19 VAL HB 1 20 THR HB . . 5.500 5.431 4.615 5.805 0.305 5 0 "[ . 1 . 2]" 1
233 1 19 VAL HB 1 23 ILE MD . . 5.460 4.924 4.038 5.269 . 0 0 "[ . 1 . 2]" 1
234 1 19 VAL QG 1 20 THR H . . 3.720 2.327 2.011 3.025 . 0 0 "[ . 1 . 2]" 1
235 1 19 VAL QG 1 20 THR HA . . 4.540 3.082 2.975 3.229 . 0 0 "[ . 1 . 2]" 1
236 1 19 VAL QG 1 20 THR HB . . 5.440 3.343 2.989 4.317 . 0 0 "[ . 1 . 2]" 1
237 1 19 VAL QG 1 20 THR MG . . 3.920 3.890 3.577 4.615 0.695 12 3 "[* . - + . 2]" 1
238 1 19 VAL QG 1 21 GLN H . . 4.570 4.270 4.107 4.524 . 0 0 "[ . 1 . 2]" 1
239 1 19 VAL QG 1 22 ALA H . . 4.480 4.156 3.802 4.271 . 0 0 "[ . 1 . 2]" 1
240 1 19 VAL QG 1 22 ALA MB . . 3.520 3.206 2.756 3.369 . 0 0 "[ . 1 . 2]" 1
241 1 19 VAL QG 1 23 ILE HB . . 5.440 5.146 4.426 5.453 0.013 16 0 "[ . 1 . 2]" 1
242 1 19 VAL QG 1 23 ILE MD . . 2.700 2.523 1.972 2.777 0.077 2 0 "[ . 1 . 2]" 1
243 1 19 VAL QG 1 23 ILE QG . . 4.630 3.921 3.612 4.160 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL MG1 1 20 THR H . . 4.460 2.351 2.018 3.122 . 0 0 "[ . 1 . 2]" 1
245 1 19 VAL MG1 1 20 THR HA . . 5.380 3.145 2.991 3.252 . 0 0 "[ . 1 . 2]" 1
246 1 19 VAL MG1 1 22 ALA H . . 5.160 4.747 4.074 5.006 . 0 0 "[ . 1 . 2]" 1
247 1 19 VAL MG1 1 23 ILE MD . . 3.770 2.865 1.977 3.534 . 0 0 "[ . 1 . 2]" 1
248 1 19 VAL MG2 1 20 THR H . . 4.460 4.011 3.811 4.355 . 0 0 "[ . 1 . 2]" 1
249 1 19 VAL MG2 1 20 THR HA . . 5.380 4.608 4.004 5.500 0.120 10 0 "[ . 1 . 2]" 1
250 1 19 VAL MG2 1 22 ALA H . . 5.160 4.658 4.538 4.972 . 0 0 "[ . 1 . 2]" 1
251 1 19 VAL MG2 1 23 ILE MD . . 3.770 3.263 2.755 3.965 0.195 10 0 "[ . 1 . 2]" 1
252 1 20 THR H 1 20 THR HB . . 4.060 2.397 2.301 2.464 . 0 0 "[ . 1 . 2]" 1
253 1 20 THR H 1 20 THR MG . . 3.860 2.441 2.329 2.767 . 0 0 "[ . 1 . 2]" 1
254 1 20 THR H 1 23 ILE MD . . 4.220 4.001 3.848 4.117 . 0 0 "[ . 1 . 2]" 1
255 1 20 THR HA 1 20 THR MG . . 3.250 3.259 3.242 3.271 0.021 17 0 "[ . 1 . 2]" 1
256 1 20 THR HA 1 23 ILE H . . 4.820 3.778 3.699 3.855 . 0 0 "[ . 1 . 2]" 1
257 1 20 THR HA 1 23 ILE HB . . 4.070 3.769 3.301 4.015 . 0 0 "[ . 1 . 2]" 1
258 1 20 THR HA 1 23 ILE MD . . 3.740 2.150 2.042 2.541 . 0 0 "[ . 1 . 2]" 1
259 1 20 THR HA 1 23 ILE MG . . 5.500 5.007 4.644 5.185 . 0 0 "[ . 1 . 2]" 1
260 1 20 THR HA 1 24 LEU H . . 5.020 4.667 4.374 4.912 . 0 0 "[ . 1 . 2]" 1
261 1 20 THR HA 1 24 LEU QD . . 5.440 4.250 3.950 4.372 . 0 0 "[ . 1 . 2]" 1
262 1 20 THR HA 1 24 LEU HG . . 5.420 4.655 4.282 5.477 0.057 19 0 "[ . 1 . 2]" 1
263 1 20 THR HB 1 21 GLN H . . 4.120 3.932 3.850 4.019 . 0 0 "[ . 1 . 2]" 1
264 1 20 THR HB 1 24 LEU QD . . 5.440 4.738 4.341 5.018 . 0 0 "[ . 1 . 2]" 1
265 1 20 THR MG 1 21 GLN H . . 3.850 2.279 2.115 2.387 . 0 0 "[ . 1 . 2]" 1
266 1 20 THR MG 1 21 GLN HA . . 4.420 3.302 3.145 3.490 . 0 0 "[ . 1 . 2]" 1
267 1 20 THR MG 1 21 GLN QB . . 4.080 3.200 2.855 3.748 . 0 0 "[ . 1 . 2]" 1
268 1 20 THR MG 1 21 GLN QG . . 4.410 3.764 2.473 4.491 0.081 13 0 "[ . 1 . 2]" 1
269 1 20 THR MG 1 22 ALA H . . 4.750 4.441 4.344 4.481 . 0 0 "[ . 1 . 2]" 1
270 1 20 THR MG 1 23 ILE HB . . 5.500 5.616 5.347 5.723 0.223 7 0 "[ . 1 . 2]" 1
271 1 20 THR MG 1 24 LEU QD . . 3.270 2.817 2.435 2.998 . 0 0 "[ . 1 . 2]" 1
272 1 20 THR MG 1 24 LEU HG . . 4.610 4.426 4.068 4.714 0.104 18 0 "[ . 1 . 2]" 1
273 1 21 GLN H 1 21 GLN QB . . 3.610 2.202 2.095 2.385 . 0 0 "[ . 1 . 2]" 1
274 1 21 GLN H 1 21 GLN QG . . 4.140 3.577 2.488 4.053 . 0 0 "[ . 1 . 2]" 1
275 1 21 GLN H 1 22 ALA MB . . 4.610 4.287 4.187 4.409 . 0 0 "[ . 1 . 2]" 1
276 1 21 GLN H 1 24 LEU HG . . 5.150 5.105 4.748 5.222 0.072 1 0 "[ . 1 . 2]" 1
277 1 21 GLN HA 1 21 GLN QG . . 3.540 2.278 2.193 2.456 . 0 0 "[ . 1 . 2]" 1
278 1 21 GLN HA 1 23 ILE H . . 4.790 4.492 4.333 4.586 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLN HA 1 24 LEU HB2 . . 4.950 3.045 2.740 5.034 0.084 15 0 "[ . 1 . 2]" 1
280 1 21 GLN HA 1 24 LEU QB . . 4.300 2.924 2.711 4.133 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLN HA 1 24 LEU HB3 . . 4.950 4.370 4.273 4.450 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLN HA 1 24 LEU QD . . 3.220 2.058 1.995 2.190 . 0 0 "[ . 1 . 2]" 1
283 1 21 GLN HA 1 24 LEU HG . . 4.100 3.223 2.217 3.619 . 0 0 "[ . 1 . 2]" 1
284 1 21 GLN HA 1 25 PHE H . . 4.840 3.803 3.634 3.971 . 0 0 "[ . 1 . 2]" 1
285 1 21 GLN QB 1 22 ALA MB . . 4.120 4.011 3.901 4.147 0.027 6 0 "[ . 1 . 2]" 1
286 1 21 GLN QB 1 24 LEU QD . . 4.140 3.664 3.471 3.812 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLN QG 1 22 ALA MB . . 5.500 5.307 4.768 5.562 0.062 7 0 "[ . 1 . 2]" 1
288 1 21 GLN QG 1 24 LEU HB2 . . 5.500 3.892 3.221 5.624 0.124 19 0 "[ . 1 . 2]" 1
289 1 21 GLN QG 1 24 LEU HB3 . . 5.500 5.000 4.516 5.555 0.055 19 0 "[ . 1 . 2]" 1
290 1 21 GLN QG 1 24 LEU MD1 . . 5.290 2.842 2.645 3.119 . 0 0 "[ . 1 . 2]" 1
291 1 21 GLN QG 1 24 LEU QD . . 3.980 2.805 2.381 3.103 . 0 0 "[ . 1 . 2]" 1
292 1 21 GLN QG 1 24 LEU MD2 . . 5.290 5.061 2.704 5.520 0.230 2 0 "[ . 1 . 2]" 1
293 1 22 ALA H 1 22 ALA MB . . 3.020 2.175 2.123 2.200 . 0 0 "[ . 1 . 2]" 1
294 1 22 ALA H 1 23 ILE H . . 3.380 2.779 2.671 2.842 . 0 0 "[ . 1 . 2]" 1
295 1 22 ALA H 1 23 ILE MD . . 4.750 3.621 3.473 4.196 . 0 0 "[ . 1 . 2]" 1
296 1 22 ALA HA 1 25 PHE H . . 4.320 3.745 3.669 3.826 . 0 0 "[ . 1 . 2]" 1
297 1 22 ALA HA 1 25 PHE QB . . 3.730 2.765 2.516 2.841 . 0 0 "[ . 1 . 2]" 1
298 1 22 ALA MB 1 23 ILE H . . 3.460 2.463 2.358 2.585 . 0 0 "[ . 1 . 2]" 1
299 1 22 ALA MB 1 23 ILE HA . . 4.440 3.907 3.851 3.951 . 0 0 "[ . 1 . 2]" 1
300 1 22 ALA MB 1 23 ILE HB . . 4.750 4.694 4.566 4.745 . 0 0 "[ . 1 . 2]" 1
301 1 22 ALA MB 1 23 ILE MD . . 3.970 3.069 2.434 3.695 . 0 0 "[ . 1 . 2]" 1
302 1 22 ALA MB 1 23 ILE QG . . 5.340 3.437 3.186 4.062 . 0 0 "[ . 1 . 2]" 1
303 1 22 ALA MB 1 25 PHE H . . 5.000 4.855 4.790 4.919 . 0 0 "[ . 1 . 2]" 1
304 1 22 ALA MB 1 25 PHE QB . . 4.140 4.133 3.950 4.202 0.062 5 0 "[ . 1 . 2]" 1
305 1 22 ALA MB 1 26 GLY H . . 5.250 4.562 4.424 4.819 . 0 0 "[ . 1 . 2]" 1
306 1 23 ILE H 1 23 ILE HB . . 3.960 2.633 2.493 2.702 . 0 0 "[ . 1 . 2]" 1
307 1 23 ILE H 1 23 ILE MD . . 3.360 2.024 1.894 2.610 . 0 0 "[ . 1 . 2]" 1
308 1 23 ILE H 1 23 ILE HG12 . . 4.170 3.872 3.797 4.019 . 0 0 "[ . 1 . 2]" 1
309 1 23 ILE H 1 23 ILE QG . . 3.410 2.697 2.475 3.288 . 0 0 "[ . 1 . 2]" 1
310 1 23 ILE H 1 23 ILE HG13 . . 4.170 2.761 2.503 3.489 . 0 0 "[ . 1 . 2]" 1
311 1 23 ILE H 1 23 ILE MG . . 3.770 3.829 3.821 3.843 0.073 17 0 "[ . 1 . 2]" 1
312 1 23 ILE H 1 24 LEU HG . . 4.220 4.301 4.177 4.401 0.181 1 0 "[ . 1 . 2]" 1
313 1 23 ILE HA 1 23 ILE MD . . 3.870 3.586 3.137 3.809 . 0 0 "[ . 1 . 2]" 1
314 1 23 ILE HA 1 23 ILE HG12 . . 3.820 3.463 3.113 3.627 . 0 0 "[ . 1 . 2]" 1
315 1 23 ILE HA 1 23 ILE QG . . 3.340 2.418 2.355 2.476 . 0 0 "[ . 1 . 2]" 1
316 1 23 ILE HA 1 23 ILE HG13 . . 3.820 2.471 2.386 2.535 . 0 0 "[ . 1 . 2]" 1
317 1 23 ILE HA 1 23 ILE MG . . 3.220 2.386 2.353 2.463 . 0 0 "[ . 1 . 2]" 1
318 1 23 ILE HA 1 24 LEU HA . . 5.090 4.860 4.787 4.907 . 0 0 "[ . 1 . 2]" 1
319 1 23 ILE HA 1 25 PHE H . . 4.810 4.753 4.503 4.876 0.066 13 0 "[ . 1 . 2]" 1
320 1 23 ILE HA 1 26 GLY H . . 4.530 3.767 3.690 3.882 . 0 0 "[ . 1 . 2]" 1
321 1 23 ILE HA 1 27 VAL H . . 4.630 4.065 3.845 4.342 . 0 0 "[ . 1 . 2]" 1
322 1 23 ILE HB 1 23 ILE MD . . 3.310 2.197 2.148 2.307 . 0 0 "[ . 1 . 2]" 1
323 1 23 ILE HB 1 24 LEU H . . 4.210 2.447 2.224 2.530 . 0 0 "[ . 1 . 2]" 1
324 1 23 ILE MD 1 25 PHE H . . 5.500 5.585 5.487 5.798 0.298 19 0 "[ . 1 . 2]" 1
325 1 23 ILE QG 1 23 ILE MG . . 3.070 2.091 2.032 2.147 . 0 0 "[ . 1 . 2]" 1
326 1 23 ILE MG 1 24 LEU H . . 3.520 3.334 2.977 3.500 . 0 0 "[ . 1 . 2]" 1
327 1 23 ILE MG 1 24 LEU HA . . 3.520 3.506 3.208 3.657 0.137 14 0 "[ . 1 . 2]" 1
328 1 23 ILE MG 1 27 VAL H . . 4.700 4.105 4.036 4.191 . 0 0 "[ . 1 . 2]" 1
329 1 23 ILE MG 1 27 VAL QG . . 3.040 2.434 2.401 2.471 . 0 0 "[ . 1 . 2]" 1
330 1 24 LEU H 1 24 LEU HB2 . . 3.930 2.758 2.622 3.611 . 0 0 "[ . 1 . 2]" 1
331 1 24 LEU H 1 24 LEU QB . . 3.880 2.577 2.376 2.617 . 0 0 "[ . 1 . 2]" 1
332 1 24 LEU H 1 24 LEU HB3 . . 3.930 3.506 2.410 3.640 . 0 0 "[ . 1 . 2]" 1
333 1 24 LEU H 1 24 LEU MD1 . . 4.410 3.417 3.264 3.892 . 0 0 "[ . 1 . 2]" 1
334 1 24 LEU H 1 24 LEU QD . . 3.550 3.000 2.970 3.085 . 0 0 "[ . 1 . 2]" 1
335 1 24 LEU H 1 24 LEU MD2 . . 4.410 3.343 3.216 3.468 . 0 0 "[ . 1 . 2]" 1
336 1 24 LEU H 1 24 LEU HG . . 3.870 2.023 1.942 2.436 . 0 0 "[ . 1 . 2]" 1
337 1 24 LEU HA 1 27 VAL H . . 4.350 3.649 3.233 3.791 . 0 0 "[ . 1 . 2]" 1
338 1 24 LEU HA 1 27 VAL HB . . 3.840 2.815 2.438 2.985 . 0 0 "[ . 1 . 2]" 1
339 1 24 LEU HA 1 27 VAL MG1 . . 4.210 4.083 3.800 4.234 0.024 14 0 "[ . 1 . 2]" 1
340 1 24 LEU HA 1 27 VAL QG . . 3.290 2.932 2.264 3.194 . 0 0 "[ . 1 . 2]" 1
341 1 24 LEU HA 1 27 VAL MG2 . . 4.210 3.020 2.282 3.388 . 0 0 "[ . 1 . 2]" 1
342 1 24 LEU QB 1 24 LEU QD . . 2.660 1.908 1.876 1.953 . 0 0 "[ . 1 . 2]" 1
343 1 24 LEU QB 1 25 PHE H . . 4.100 2.416 2.251 3.589 . 0 0 "[ . 1 . 2]" 1
344 1 24 LEU QB 1 26 GLY H . . 5.340 4.844 4.708 5.539 0.199 19 0 "[ . 1 . 2]" 1
345 1 24 LEU QB 1 27 VAL H . . 5.340 4.960 4.791 5.048 . 0 0 "[ . 1 . 2]" 1
346 1 24 LEU QB 1 27 VAL HB . . 5.210 4.444 3.846 4.575 . 0 0 "[ . 1 . 2]" 1
347 1 24 LEU HB2 1 24 LEU MD1 . . 3.470 2.149 2.105 2.314 . 0 0 "[ . 1 . 2]" 1
348 1 24 LEU HB2 1 24 LEU MD2 . . 3.470 3.176 2.602 3.248 . 0 0 "[ . 1 . 2]" 1
349 1 24 LEU HB3 1 24 LEU MD1 . . 3.470 2.684 2.565 3.245 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU HB3 1 24 LEU MD2 . . 3.470 2.315 2.260 2.380 . 0 0 "[ . 1 . 2]" 1
351 1 24 LEU QD 1 25 PHE H . . 4.240 3.686 2.599 3.862 . 0 0 "[ . 1 . 2]" 1
352 1 24 LEU QD 1 25 PHE QB . . 4.430 4.467 2.902 4.676 0.246 9 0 "[ . 1 . 2]" 1
353 1 24 LEU QD 1 27 VAL HB . . 4.900 4.386 4.298 4.554 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU QD 1 27 VAL QG . . 3.730 3.807 3.728 4.324 0.594 15 2 "[ . 1 + -2]" 1
355 1 24 LEU QD 1 28 ARG QD . . 4.580 4.442 2.557 4.776 0.196 9 0 "[ . 1 . 2]" 1
356 1 24 LEU QD 1 28 ARG QG . . 5.030 4.788 2.876 5.270 0.240 16 0 "[ . 1 . 2]" 1
357 1 24 LEU HG 1 25 PHE H . . 3.940 3.928 2.291 4.171 0.231 10 0 "[ . 1 . 2]" 1
358 1 25 PHE H 1 25 PHE QB . . 3.510 2.191 2.159 2.222 . 0 0 "[ . 1 . 2]" 1
359 1 25 PHE H 1 26 GLY H . . 3.330 2.899 2.855 2.939 . 0 0 "[ . 1 . 2]" 1
360 1 25 PHE H 1 26 GLY QA . . 4.890 4.712 4.683 4.745 . 0 0 "[ . 1 . 2]" 1
361 1 25 PHE H 1 27 VAL H . . 4.460 4.294 4.086 4.415 . 0 0 "[ . 1 . 2]" 1
362 1 25 PHE H 1 27 VAL HB . . 5.420 5.242 5.068 5.365 . 0 0 "[ . 1 . 2]" 1
363 1 25 PHE HA 1 27 VAL HB . . 5.500 5.332 5.223 5.406 . 0 0 "[ . 1 . 2]" 1
364 1 25 PHE HA 1 28 ARG H . . 4.190 3.922 3.779 4.138 . 0 0 "[ . 1 . 2]" 1
365 1 25 PHE HA 1 28 ARG QD . . 4.400 2.933 2.273 4.381 . 0 0 "[ . 1 . 2]" 1
366 1 25 PHE HA 1 28 ARG QG . . 4.610 2.708 2.200 4.109 . 0 0 "[ . 1 . 2]" 1
367 1 25 PHE QB 1 26 GLY H . . 4.060 2.429 2.348 2.504 . 0 0 "[ . 1 . 2]" 1
368 1 26 GLY H 1 28 ARG H . . 5.450 4.761 4.603 4.900 . 0 0 "[ . 1 . 2]" 1
369 1 26 GLY H 1 28 ARG QG . . 5.500 4.896 4.516 5.837 0.337 4 0 "[ . 1 . 2]" 1
370 1 26 GLY H 1 29 SER H . . 5.250 4.815 4.720 4.986 . 0 0 "[ . 1 . 2]" 1
371 1 27 VAL H 1 27 VAL HB . . 3.880 2.487 2.335 2.643 . 0 0 "[ . 1 . 2]" 1
372 1 27 VAL H 1 27 VAL MG1 . . 3.930 3.803 3.760 3.845 . 0 0 "[ . 1 . 2]" 1
373 1 27 VAL H 1 27 VAL QG . . 3.040 2.298 2.186 2.452 . 0 0 "[ . 1 . 2]" 1
374 1 27 VAL H 1 27 VAL MG2 . . 3.930 2.317 2.199 2.485 . 0 0 "[ . 1 . 2]" 1
375 1 27 VAL H 1 28 ARG H . . 3.660 2.965 2.918 3.059 . 0 0 "[ . 1 . 2]" 1
376 1 27 VAL H 1 28 ARG QG . . 4.670 4.238 4.046 4.578 . 0 0 "[ . 1 . 2]" 1
377 1 27 VAL H 1 29 SER H . . 4.530 4.162 3.996 4.505 . 0 0 "[ . 1 . 2]" 1
378 1 27 VAL HA 1 27 VAL MG1 . . 3.560 2.464 2.365 2.604 . 0 0 "[ . 1 . 2]" 1
379 1 27 VAL HA 1 27 VAL QG . . 2.820 2.169 2.088 2.184 . 0 0 "[ . 1 . 2]" 1
380 1 27 VAL HA 1 27 VAL MG2 . . 3.560 2.418 2.322 2.486 . 0 0 "[ . 1 . 2]" 1
381 1 27 VAL HA 1 29 SER H . . 5.110 4.631 4.454 5.085 . 0 0 "[ . 1 . 2]" 1
382 1 27 VAL HA 1 30 GLY H . . 4.120 3.818 3.629 4.019 . 0 0 "[ . 1 . 2]" 1
383 1 27 VAL HA 1 31 ALA MB . . 5.090 4.500 4.192 4.749 . 0 0 "[ . 1 . 2]" 1
384 1 27 VAL HB 1 28 ARG H . . 4.050 2.304 2.209 2.477 . 0 0 "[ . 1 . 2]" 1
385 1 27 VAL HB 1 28 ARG QB . . 5.500 4.240 4.030 4.733 . 0 0 "[ . 1 . 2]" 1
386 1 27 VAL QG 1 28 ARG H . . 3.470 2.852 2.716 2.912 . 0 0 "[ . 1 . 2]" 1
387 1 27 VAL QG 1 28 ARG HA . . 4.410 3.184 2.997 3.276 . 0 0 "[ . 1 . 2]" 1
388 1 27 VAL QG 1 28 ARG QB . . 3.650 3.765 3.618 4.025 0.375 5 0 "[ . 1 . 2]" 1
389 1 27 VAL QG 1 28 ARG QD . . 5.440 4.920 4.261 5.550 0.110 15 0 "[ . 1 . 2]" 1
390 1 27 VAL QG 1 30 GLY H . . 5.440 4.658 4.508 4.815 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL QG 1 31 ALA MB . . 4.090 3.412 3.143 3.572 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL MG1 1 28 ARG H . . 4.040 2.944 2.767 3.026 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL MG2 1 28 ARG H . . 4.040 3.842 3.766 3.973 . 0 0 "[ . 1 . 2]" 1
394 1 28 ARG H 1 28 ARG QB . . 3.390 2.578 2.501 2.718 . 0 0 "[ . 1 . 2]" 1
395 1 28 ARG H 1 28 ARG QD . . 4.500 3.874 3.542 4.149 . 0 0 "[ . 1 . 2]" 1
396 1 28 ARG H 1 28 ARG HG2 . . 4.540 2.424 2.127 3.134 . 0 0 "[ . 1 . 2]" 1
397 1 28 ARG H 1 28 ARG HG3 . . 4.540 3.136 2.205 3.605 . 0 0 "[ . 1 . 2]" 1
398 1 28 ARG HA 1 28 ARG QD . . 4.360 4.377 3.964 4.639 0.279 9 0 "[ . 1 . 2]" 1
399 1 28 ARG HA 1 28 ARG HG2 . . 3.880 3.447 2.442 3.969 0.089 15 0 "[ . 1 . 2]" 1
400 1 28 ARG HA 1 28 ARG HG3 . . 3.880 3.707 3.297 3.900 0.020 9 0 "[ . 1 . 2]" 1
401 1 28 ARG HA 1 30 GLY H . . 5.230 4.713 4.455 4.932 . 0 0 "[ . 1 . 2]" 1
402 1 28 ARG HA 1 31 ALA MB . . 3.970 2.802 2.443 3.146 . 0 0 "[ . 1 . 2]" 1
403 1 28 ARG QB 1 28 ARG QD . . 3.230 2.284 2.109 2.505 . 0 0 "[ . 1 . 2]" 1
404 1 28 ARG QB 1 29 SER H . . 4.150 3.293 2.416 3.631 . 0 0 "[ . 1 . 2]" 1
405 1 28 ARG QB 1 31 ALA MB . . 5.030 4.247 3.902 4.625 . 0 0 "[ . 1 . 2]" 1
406 1 28 ARG QD 1 29 SER H . . 5.120 4.391 3.543 5.017 . 0 0 "[ . 1 . 2]" 1
407 1 28 ARG QG 1 29 SER H . . 4.390 2.668 1.982 4.027 . 0 0 "[ . 1 . 2]" 1
408 1 28 ARG HG2 1 29 SER H . . 5.040 3.179 2.334 4.921 . 0 0 "[ . 1 . 2]" 1
409 1 28 ARG HG3 1 29 SER H . . 5.040 2.934 1.992 4.290 . 0 0 "[ . 1 . 2]" 1
410 1 29 SER H 1 29 SER QB . . 3.580 2.299 2.206 2.521 . 0 0 "[ . 1 . 2]" 1
411 1 29 SER H 1 30 GLY H . . 3.680 2.904 2.787 3.065 . 0 0 "[ . 1 . 2]" 1
412 1 29 SER HA 1 32 ALA MB . . 4.570 2.723 2.331 2.953 . 0 0 "[ . 1 . 2]" 1
413 1 29 SER QB 1 30 GLY H . . 4.280 2.501 2.295 3.420 . 0 0 "[ . 1 . 2]" 1
414 1 29 SER QB 1 32 ALA MB . . 4.670 4.459 3.988 4.646 . 0 0 "[ . 1 . 2]" 1
415 1 30 GLY QA 1 31 ALA MB . . 4.780 4.125 4.041 4.178 . 0 0 "[ . 1 . 2]" 1
416 1 30 GLY QA 1 33 ALA H . . 4.330 3.565 3.407 3.738 . 0 0 "[ . 1 . 2]" 1
417 1 30 GLY QA 1 33 ALA MB . . 3.780 2.623 2.437 2.739 . 0 0 "[ . 1 . 2]" 1
418 1 31 ALA H 1 31 ALA MB . . 3.070 2.202 2.120 2.246 . 0 0 "[ . 1 . 2]" 1
419 1 31 ALA H 1 32 ALA H . . 3.760 2.859 2.799 2.928 . 0 0 "[ . 1 . 2]" 1
420 1 31 ALA H 1 33 ALA H . . 4.390 4.213 4.080 4.410 0.020 18 0 "[ . 1 . 2]" 1
421 1 31 ALA H 1 34 LEU QD . . 5.490 5.379 5.238 5.547 0.057 12 0 "[ . 1 . 2]" 1
422 1 31 ALA HA 1 32 ALA HA . . 5.070 4.866 4.844 4.891 . 0 0 "[ . 1 . 2]" 1
423 1 31 ALA HA 1 34 LEU HB2 . . 4.220 3.903 3.650 4.145 . 0 0 "[ . 1 . 2]" 1
424 1 31 ALA HA 1 34 LEU HB3 . . 3.770 2.693 2.446 2.886 . 0 0 "[ . 1 . 2]" 1
425 1 31 ALA HA 1 34 LEU MD1 . . 4.450 4.115 3.888 4.452 0.002 12 0 "[ . 1 . 2]" 1
426 1 31 ALA HA 1 34 LEU QD . . 3.290 3.263 3.083 3.424 0.134 15 0 "[ . 1 . 2]" 1
427 1 31 ALA HA 1 34 LEU MD2 . . 4.450 3.426 3.207 3.567 . 0 0 "[ . 1 . 2]" 1
428 1 31 ALA HA 1 35 THR H . . 5.190 4.046 3.917 4.137 . 0 0 "[ . 1 . 2]" 1
429 1 31 ALA MB 1 32 ALA H . . 3.200 2.480 2.355 2.760 . 0 0 "[ . 1 . 2]" 1
430 1 31 ALA MB 1 34 LEU HB3 . . 4.580 4.196 3.976 4.373 . 0 0 "[ . 1 . 2]" 1
431 1 31 ALA MB 1 34 LEU QD . . 3.920 3.877 3.629 4.087 0.167 15 0 "[ . 1 . 2]" 1
432 1 31 ALA MB 1 35 THR H . . 5.330 4.618 4.490 4.745 . 0 0 "[ . 1 . 2]" 1
433 1 32 ALA H 1 32 ALA MB . . 3.110 2.217 2.194 2.231 . 0 0 "[ . 1 . 2]" 1
434 1 32 ALA H 1 35 THR MG . . 4.110 4.121 4.047 4.207 0.097 7 0 "[ . 1 . 2]" 1
435 1 32 ALA HA 1 35 THR HB . . 4.510 4.312 4.171 4.479 . 0 0 "[ . 1 . 2]" 1
436 1 32 ALA HA 1 35 THR MG . . 4.080 2.034 1.959 2.158 . 0 0 "[ . 1 . 2]" 1
437 1 32 ALA MB 1 33 ALA H . . 3.350 2.636 2.559 2.731 . 0 0 "[ . 1 . 2]" 1
438 1 32 ALA MB 1 34 LEU H . . 4.970 4.816 4.674 4.911 . 0 0 "[ . 1 . 2]" 1
439 1 32 ALA MB 1 35 THR H . . 5.500 4.927 4.854 5.035 . 0 0 "[ . 1 . 2]" 1
440 1 33 ALA H 1 33 ALA MB . . 3.030 2.186 2.038 2.241 . 0 0 "[ . 1 . 2]" 1
441 1 33 ALA H 1 34 LEU H . . 3.680 2.863 2.795 2.938 . 0 0 "[ . 1 . 2]" 1
442 1 33 ALA H 1 34 LEU QB . . 4.370 4.502 4.402 4.561 0.191 4 0 "[ . 1 . 2]" 1
443 1 33 ALA H 1 35 THR MG . . 4.160 4.269 4.091 4.404 0.244 18 0 "[ . 1 . 2]" 1
444 1 33 ALA H 1 36 LEU HB3 . . 5.050 5.042 4.792 5.259 0.209 16 0 "[ . 1 . 2]" 1
445 1 33 ALA H 1 36 LEU QD . . 4.620 4.162 4.043 4.265 . 0 0 "[ . 1 . 2]" 1
446 1 33 ALA HA 1 36 LEU H . . 4.370 3.554 3.422 3.704 . 0 0 "[ . 1 . 2]" 1
447 1 33 ALA HA 1 36 LEU HB2 . . 4.660 4.523 4.128 4.847 0.187 16 0 "[ . 1 . 2]" 1
448 1 33 ALA HA 1 36 LEU HB3 . . 4.150 3.084 2.622 3.484 . 0 0 "[ . 1 . 2]" 1
449 1 33 ALA HA 1 36 LEU MD2 . . 3.890 2.029 1.920 2.096 . 0 0 "[ . 1 . 2]" 1
450 1 33 ALA HA 1 36 LEU HG . . 4.310 3.063 2.756 3.354 . 0 0 "[ . 1 . 2]" 1
451 1 33 ALA HA 1 37 ILE MD . . 4.880 3.871 3.593 4.670 . 0 0 "[ . 1 . 2]" 1
452 1 33 ALA HA 1 37 ILE QG . . 5.070 3.937 3.736 4.170 . 0 0 "[ . 1 . 2]" 1
453 1 33 ALA MB 1 34 LEU H . . 3.550 2.495 2.380 2.627 . 0 0 "[ . 1 . 2]" 1
454 1 33 ALA MB 1 34 LEU HA . . 4.390 3.919 3.740 3.992 . 0 0 "[ . 1 . 2]" 1
455 1 33 ALA MB 1 34 LEU HB2 . . 4.520 4.227 4.117 4.387 . 0 0 "[ . 1 . 2]" 1
456 1 33 ALA MB 1 35 THR H . . 5.500 4.752 4.623 4.856 . 0 0 "[ . 1 . 2]" 1
457 1 33 ALA MB 1 36 LEU H . . 4.790 4.703 4.593 4.840 0.050 6 0 "[ . 1 . 2]" 1
458 1 33 ALA MB 1 36 LEU HB3 . . 5.410 4.636 4.254 4.961 . 0 0 "[ . 1 . 2]" 1
459 1 33 ALA MB 1 36 LEU MD2 . . 3.880 2.974 2.697 3.139 . 0 0 "[ . 1 . 2]" 1
460 1 33 ALA MB 1 36 LEU HG . . 4.930 4.054 3.937 4.214 . 0 0 "[ . 1 . 2]" 1
461 1 33 ALA MB 1 37 ILE MD . . 3.890 2.650 2.371 3.555 . 0 0 "[ . 1 . 2]" 1
462 1 33 ALA MB 1 37 ILE QG . . 3.940 3.692 3.565 3.954 0.014 9 0 "[ . 1 . 2]" 1
463 1 33 ALA MB 1 56 VAL HB . . 5.500 4.238 2.258 5.455 . 0 0 "[ . 1 . 2]" 1
464 1 33 ALA MB 1 56 VAL QG . . 3.860 2.465 1.831 3.431 . 0 0 "[ . 1 . 2]" 1
465 1 33 ALA MB 1 60 LEU QD . . 5.440 2.886 1.738 4.572 . 0 0 "[ . 1 . 2]" 1
466 1 34 LEU H 1 34 LEU HB2 . . 3.560 2.619 2.536 2.733 . 0 0 "[ . 1 . 2]" 1
467 1 34 LEU H 1 34 LEU QB . . 3.870 2.192 2.169 2.223 . 0 0 "[ . 1 . 2]" 1
468 1 34 LEU H 1 34 LEU HB3 . . 3.910 2.354 2.312 2.439 . 0 0 "[ . 1 . 2]" 1
469 1 34 LEU H 1 34 LEU MD1 . . 4.450 4.307 4.257 4.374 . 0 0 "[ . 1 . 2]" 1
470 1 34 LEU H 1 34 LEU QD . . 3.670 3.718 3.686 3.764 0.094 15 0 "[ . 1 . 2]" 1
471 1 34 LEU H 1 34 LEU MD2 . . 4.450 4.065 3.988 4.164 . 0 0 "[ . 1 . 2]" 1
472 1 34 LEU H 1 34 LEU HG . . 4.560 4.505 4.485 4.537 . 0 0 "[ . 1 . 2]" 1
473 1 34 LEU H 1 35 THR H . . 3.930 2.992 2.882 3.088 . 0 0 "[ . 1 . 2]" 1
474 1 34 LEU H 1 35 THR MG . . 4.000 4.200 4.099 4.267 0.267 2 0 "[ . 1 . 2]" 1
475 1 34 LEU H 1 37 ILE MD . . 4.400 3.791 3.389 4.455 0.055 9 0 "[ . 1 . 2]" 1
476 1 34 LEU HA 1 34 LEU QD . . 3.710 3.146 3.104 3.208 . 0 0 "[ . 1 . 2]" 1
477 1 34 LEU HA 1 34 LEU HG . . 4.160 2.648 2.559 2.749 . 0 0 "[ . 1 . 2]" 1
478 1 34 LEU HA 1 37 ILE HB . . 3.890 2.892 2.650 3.154 . 0 0 "[ . 1 . 2]" 1
479 1 34 LEU HA 1 37 ILE MD . . 3.320 2.277 2.055 2.739 . 0 0 "[ . 1 . 2]" 1
480 1 34 LEU QB 1 35 THR H . . 3.870 2.590 2.471 2.665 . 0 0 "[ . 1 . 2]" 1
481 1 34 LEU HB2 1 35 THR H . . 4.180 3.969 3.883 4.012 . 0 0 "[ . 1 . 2]" 1
482 1 34 LEU HB2 1 38 VAL QG . . 5.200 4.968 4.570 5.442 0.242 5 0 "[ . 1 . 2]" 1
483 1 34 LEU HB3 1 35 THR H . . 4.230 2.625 2.499 2.705 . 0 0 "[ . 1 . 2]" 1
484 1 34 LEU HB3 1 35 THR MG . . 4.220 4.299 4.114 4.426 0.206 10 0 "[ . 1 . 2]" 1
485 1 34 LEU HB3 1 38 VAL QG . . 5.390 4.798 4.507 5.186 . 0 0 "[ . 1 . 2]" 1
486 1 34 LEU QD 1 35 THR H . . 4.590 2.702 2.463 2.802 . 0 0 "[ . 1 . 2]" 1
487 1 34 LEU QD 1 35 THR HA . . 4.310 2.646 2.497 2.887 . 0 0 "[ . 1 . 2]" 1
488 1 34 LEU QD 1 35 THR HB . . 4.770 3.045 2.791 3.185 . 0 0 "[ . 1 . 2]" 1
489 1 34 LEU QD 1 35 THR MG . . 3.980 3.799 3.610 3.907 . 0 0 "[ . 1 . 2]" 1
490 1 34 LEU QD 1 38 VAL QG . . 3.310 2.730 2.499 2.961 . 0 0 "[ . 1 . 2]" 1
491 1 34 LEU MD1 1 35 THR HA . . 5.380 5.216 5.052 5.332 . 0 0 "[ . 1 . 2]" 1
492 1 34 LEU MD2 1 35 THR HA . . 5.380 2.654 2.504 2.902 . 0 0 "[ . 1 . 2]" 1
493 1 34 LEU HG 1 35 THR H . . 4.750 3.996 3.841 4.206 . 0 0 "[ . 1 . 2]" 1
494 1 34 LEU HG 1 35 THR HA . . 5.100 4.137 3.934 4.368 . 0 0 "[ . 1 . 2]" 1
495 1 34 LEU HG 1 38 VAL QG . . 4.660 2.949 2.522 3.495 . 0 0 "[ . 1 . 2]" 1
496 1 35 THR H 1 35 THR HB . . 3.810 2.642 2.554 2.676 . 0 0 "[ . 1 . 2]" 1
497 1 35 THR H 1 35 THR MG . . 3.740 2.144 2.088 2.225 . 0 0 "[ . 1 . 2]" 1
498 1 35 THR H 1 36 LEU H . . 3.750 2.870 2.786 2.932 . 0 0 "[ . 1 . 2]" 1
499 1 35 THR H 1 36 LEU HG . . 5.500 5.647 5.311 5.926 0.426 7 0 "[ . 1 . 2]" 1
500 1 35 THR H 1 38 VAL QG . . 5.090 4.109 3.998 4.590 . 0 0 "[ . 1 . 2]" 1
501 1 35 THR HA 1 35 THR MG . . 3.270 3.233 3.214 3.251 . 0 0 "[ . 1 . 2]" 1
502 1 35 THR HA 1 38 VAL H . . 4.490 3.597 3.317 3.776 . 0 0 "[ . 1 . 2]" 1
503 1 35 THR HA 1 38 VAL HB . . 4.900 4.299 2.824 5.162 0.262 4 0 "[ . 1 . 2]" 1
504 1 35 THR HA 1 38 VAL MG1 . . 4.060 3.544 1.981 4.371 0.311 6 0 "[ . 1 . 2]" 1
505 1 35 THR HA 1 38 VAL QG . . 3.450 2.175 1.978 2.999 . 0 0 "[ . 1 . 2]" 1
506 1 35 THR HA 1 38 VAL MG2 . . 4.060 2.694 2.010 4.591 0.531 5 1 "[ + 1 . 2]" 1
507 1 35 THR HA 1 39 VAL QG . . 5.060 4.135 3.668 4.440 . 0 0 "[ . 1 . 2]" 1
508 1 35 THR HB 1 36 LEU H . . 4.030 4.113 4.054 4.159 0.129 4 0 "[ . 1 . 2]" 1
509 1 35 THR MG 1 36 LEU H . . 4.090 2.286 2.182 2.354 . 0 0 "[ . 1 . 2]" 1
510 1 35 THR MG 1 36 LEU HA . . 4.600 3.542 3.420 3.625 . 0 0 "[ . 1 . 2]" 1
511 1 35 THR MG 1 39 VAL QG . . 3.740 3.813 3.705 3.911 0.171 7 0 "[ . 1 . 2]" 1
512 1 36 LEU H 1 36 LEU HB2 . . 3.960 3.417 3.291 3.522 . 0 0 "[ . 1 . 2]" 1
513 1 36 LEU H 1 36 LEU HB3 . . 3.760 2.134 2.058 2.235 . 0 0 "[ . 1 . 2]" 1
514 1 36 LEU H 1 36 LEU MD1 . . 4.430 4.328 4.206 4.413 . 0 0 "[ . 1 . 2]" 1
515 1 36 LEU H 1 36 LEU QD . . 3.800 3.456 3.304 3.587 . 0 0 "[ . 1 . 2]" 1
516 1 36 LEU H 1 36 LEU MD2 . . 4.400 3.635 3.434 3.800 . 0 0 "[ . 1 . 2]" 1
517 1 36 LEU H 1 36 LEU HG . . 3.820 3.381 3.090 3.640 . 0 0 "[ . 1 . 2]" 1
518 1 36 LEU H 1 37 ILE H . . 4.510 2.769 2.714 2.861 . 0 0 "[ . 1 . 2]" 1
519 1 36 LEU H 1 37 ILE HA . . 5.350 5.406 5.358 5.490 0.140 6 0 "[ . 1 . 2]" 1
520 1 36 LEU H 1 38 VAL H . . 4.600 4.536 4.304 4.638 0.038 17 0 "[ . 1 . 2]" 1
521 1 36 LEU HA 1 36 LEU HG . . 3.820 3.715 3.671 3.752 . 0 0 "[ . 1 . 2]" 1
522 1 36 LEU HA 1 38 VAL QG . . 5.000 4.733 4.337 5.445 0.445 3 0 "[ . 1 . 2]" 1
523 1 36 LEU HA 1 39 VAL H . . 4.530 3.683 3.427 3.877 . 0 0 "[ . 1 . 2]" 1
524 1 36 LEU HA 1 39 VAL HA . . 5.500 5.552 5.163 5.769 0.269 9 0 "[ . 1 . 2]" 1
525 1 36 LEU HA 1 39 VAL HB . . 4.120 3.481 2.287 4.340 0.220 15 0 "[ . 1 . 2]" 1
526 1 36 LEU HA 1 39 VAL MG1 . . 4.360 2.687 1.955 4.346 . 0 0 "[ . 1 . 2]" 1
527 1 36 LEU HA 1 39 VAL QG . . 3.470 2.299 1.952 3.000 . 0 0 "[ . 1 . 2]" 1
528 1 36 LEU HA 1 39 VAL MG2 . . 4.360 3.861 2.336 4.549 0.189 14 0 "[ . 1 . 2]" 1
529 1 36 LEU HB2 1 36 LEU MD1 . . 3.610 2.264 2.177 2.356 . 0 0 "[ . 1 . 2]" 1
530 1 36 LEU HB2 1 36 LEU MD2 . . 3.440 2.668 2.535 2.732 . 0 0 "[ . 1 . 2]" 1
531 1 36 LEU HB2 1 39 VAL QG . . 4.010 3.811 3.511 4.265 0.255 4 0 "[ . 1 . 2]" 1
532 1 36 LEU HB3 1 36 LEU MD2 . . 3.150 2.145 2.110 2.223 . 0 0 "[ . 1 . 2]" 1
533 1 36 LEU QD 1 37 ILE H . . 3.740 3.241 3.054 3.426 . 0 0 "[ . 1 . 2]" 1
534 1 36 LEU MD1 1 37 ILE HA . . 3.510 2.915 2.507 3.154 . 0 0 "[ . 1 . 2]" 1
535 1 36 LEU MD1 1 39 VAL QG . . 3.910 3.835 3.381 4.240 0.330 11 0 "[ . 1 . 2]" 1
536 1 36 LEU MD1 1 56 VAL QG . . 3.150 2.988 2.595 3.266 0.116 9 0 "[ . 1 . 2]" 1
537 1 36 LEU MD2 1 37 ILE QG . . 4.870 3.295 3.071 3.424 . 0 0 "[ . 1 . 2]" 1
538 1 36 LEU MD2 1 56 VAL MG1 . . 3.810 2.813 1.916 4.042 0.232 18 0 "[ . 1 . 2]" 1
539 1 36 LEU MD2 1 56 VAL QG . . 2.760 2.138 1.821 2.627 . 0 0 "[ . 1 . 2]" 1
540 1 36 LEU MD2 1 56 VAL MG2 . . 3.810 2.578 1.982 3.878 0.068 4 0 "[ . 1 . 2]" 1
541 1 36 LEU HG 1 37 ILE HB . . 4.420 4.320 4.159 4.450 0.030 2 0 "[ . 1 . 2]" 1
542 1 36 LEU HG 1 56 VAL QG . . 4.640 3.273 2.886 3.745 . 0 0 "[ . 1 . 2]" 1
543 1 37 ILE H 1 37 ILE HB . . 3.850 2.460 2.398 2.512 . 0 0 "[ . 1 . 2]" 1
544 1 37 ILE H 1 37 ILE MD . . 4.000 3.267 3.105 3.510 . 0 0 "[ . 1 . 2]" 1
545 1 37 ILE H 1 37 ILE HG12 . . 4.580 3.744 3.583 3.820 . 0 0 "[ . 1 . 2]" 1
546 1 37 ILE H 1 37 ILE QG . . 3.850 2.304 2.204 2.388 . 0 0 "[ . 1 . 2]" 1
547 1 37 ILE H 1 37 ILE HG13 . . 4.580 2.325 2.223 2.412 . 0 0 "[ . 1 . 2]" 1
548 1 37 ILE H 1 37 ILE MG . . 3.950 3.798 3.783 3.810 . 0 0 "[ . 1 . 2]" 1
549 1 37 ILE H 1 38 VAL H . . 4.220 2.804 2.669 2.964 . 0 0 "[ . 1 . 2]" 1
550 1 37 ILE H 1 38 VAL QG . . 4.450 3.881 3.680 4.229 . 0 0 "[ . 1 . 2]" 1
551 1 37 ILE HA 1 37 ILE MD . . 4.370 3.899 3.856 3.944 . 0 0 "[ . 1 . 2]" 1
552 1 37 ILE HA 1 37 ILE HG12 . . 3.920 2.762 2.551 2.855 . 0 0 "[ . 1 . 2]" 1
553 1 37 ILE HA 1 37 ILE HG13 . . 3.920 2.728 2.619 2.910 . 0 0 "[ . 1 . 2]" 1
554 1 37 ILE HA 1 37 ILE MG . . 3.330 2.448 2.382 2.526 . 0 0 "[ . 1 . 2]" 1
555 1 37 ILE HA 1 38 VAL QG . . 5.440 4.700 4.542 4.892 . 0 0 "[ . 1 . 2]" 1
556 1 37 ILE HA 1 39 VAL QG . . 5.440 4.800 4.250 5.422 . 0 0 "[ . 1 . 2]" 1
557 1 37 ILE HA 1 40 TRP H . . 4.660 3.580 3.379 3.718 . 0 0 "[ . 1 . 2]" 1
558 1 37 ILE HA 1 41 ILE MD . . 4.550 3.530 3.212 4.000 . 0 0 "[ . 1 . 2]" 1
559 1 37 ILE HB 1 37 ILE MD . . 3.730 2.180 2.105 2.353 . 0 0 "[ . 1 . 2]" 1
560 1 37 ILE HB 1 38 VAL H . . 4.200 2.464 2.371 2.612 . 0 0 "[ . 1 . 2]" 1
561 1 37 ILE HB 1 38 VAL QG . . 3.930 3.412 3.143 4.028 0.098 10 0 "[ . 1 . 2]" 1
562 1 37 ILE MD 1 38 VAL H . . 5.350 4.245 4.093 4.527 . 0 0 "[ . 1 . 2]" 1
563 1 37 ILE MD 1 56 VAL QG . . 3.890 2.557 1.916 3.725 . 0 0 "[ . 1 . 2]" 1
564 1 37 ILE QG 1 37 ILE MG . . 3.040 2.234 2.200 2.293 . 0 0 "[ . 1 . 2]" 1
565 1 37 ILE HG12 1 37 ILE MG . . 3.530 2.281 2.244 2.346 . 0 0 "[ . 1 . 2]" 1
566 1 37 ILE HG13 1 37 ILE MG . . 3.530 3.187 3.162 3.227 . 0 0 "[ . 1 . 2]" 1
567 1 37 ILE MG 1 38 VAL H . . 5.140 3.192 2.977 3.451 . 0 0 "[ . 1 . 2]" 1
568 1 38 VAL H 1 38 VAL HB . . 3.900 3.222 2.595 3.716 . 0 0 "[ . 1 . 2]" 1
569 1 38 VAL H 1 38 VAL MG1 . . 3.990 2.723 2.030 3.844 . 0 0 "[ . 1 . 2]" 1
570 1 38 VAL H 1 38 VAL QG . . 3.010 2.061 1.948 2.180 . 0 0 "[ . 1 . 2]" 1
571 1 38 VAL H 1 38 VAL MG2 . . 3.990 2.536 2.088 3.865 . 0 0 "[ . 1 . 2]" 1
572 1 38 VAL H 1 39 VAL HB . . 5.370 5.187 4.710 5.536 0.166 3 0 "[ . 1 . 2]" 1
573 1 38 VAL H 1 39 VAL QG . . 4.160 4.243 3.998 4.446 0.286 12 0 "[ . 1 . 2]" 1
574 1 38 VAL HA 1 38 VAL MG1 . . 3.210 2.524 2.231 3.247 0.037 5 0 "[ . 1 . 2]" 1
575 1 38 VAL HA 1 38 VAL MG2 . . 3.210 2.840 2.324 3.255 0.045 1 0 "[ . 1 . 2]" 1
576 1 38 VAL HA 1 41 ILE H . . 4.690 3.404 3.063 3.661 . 0 0 "[ . 1 . 2]" 1
577 1 38 VAL HA 1 41 ILE HB . . 4.120 2.615 2.131 2.948 . 0 0 "[ . 1 . 2]" 1
578 1 38 VAL HA 1 41 ILE MD . . 3.740 3.108 2.146 3.958 0.218 9 0 "[ . 1 . 2]" 1
579 1 38 VAL HA 1 41 ILE QG . . 4.850 4.144 3.527 4.778 . 0 0 "[ . 1 . 2]" 1
580 1 38 VAL HA 1 41 ILE MG . . 4.260 3.777 3.114 4.168 . 0 0 "[ . 1 . 2]" 1
581 1 38 VAL HB 1 39 VAL H . . 4.140 3.462 2.405 4.131 . 0 0 "[ . 1 . 2]" 1
582 1 38 VAL HB 1 42 THR MG . . 4.730 4.115 3.097 5.075 0.345 18 0 "[ . 1 . 2]" 1
583 1 38 VAL QG 1 41 ILE HB . . 4.650 3.882 3.292 4.500 . 0 0 "[ . 1 . 2]" 1
584 1 38 VAL QG 1 41 ILE MD . . 4.490 3.903 2.686 4.663 0.173 4 0 "[ . 1 . 2]" 1
585 1 38 VAL QG 1 42 THR MG . . 3.240 3.125 2.329 3.653 0.413 2 0 "[ . 1 . 2]" 1
586 1 38 VAL MG1 1 39 VAL H . . 4.130 3.513 2.057 4.095 . 0 0 "[ . 1 . 2]" 1
587 1 38 VAL MG2 1 39 VAL H . . 4.130 2.918 2.104 3.879 . 0 0 "[ . 1 . 2]" 1
588 1 39 VAL H 1 39 VAL HB . . 3.950 2.519 2.325 2.853 . 0 0 "[ . 1 . 2]" 1
589 1 39 VAL H 1 39 VAL MG1 . . 3.960 2.885 2.116 3.824 . 0 0 "[ . 1 . 2]" 1
590 1 39 VAL H 1 39 VAL QG . . 3.120 2.275 2.106 2.451 . 0 0 "[ . 1 . 2]" 1
591 1 39 VAL H 1 39 VAL MG2 . . 3.960 3.224 2.197 3.876 . 0 0 "[ . 1 . 2]" 1
592 1 39 VAL H 1 40 TRP H . . 4.470 2.871 2.761 2.983 . 0 0 "[ . 1 . 2]" 1
593 1 39 VAL H 1 40 TRP QB . . 4.940 4.610 4.463 4.779 . 0 0 "[ . 1 . 2]" 1
594 1 39 VAL H 1 42 THR MG . . 4.690 4.127 3.944 4.313 . 0 0 "[ . 1 . 2]" 1
595 1 39 VAL HA 1 39 VAL MG1 . . 3.290 2.929 2.234 3.243 . 0 0 "[ . 1 . 2]" 1
596 1 39 VAL HA 1 39 VAL MG2 . . 3.290 2.348 2.227 2.539 . 0 0 "[ . 1 . 2]" 1
597 1 39 VAL HA 1 42 THR H . . 4.370 3.643 3.442 3.815 . 0 0 "[ . 1 . 2]" 1
598 1 39 VAL HA 1 42 THR HB . . 5.500 4.980 4.394 5.692 0.192 11 0 "[ . 1 . 2]" 1
599 1 39 VAL HA 1 42 THR MG . . 4.220 2.234 1.950 2.655 . 0 0 "[ . 1 . 2]" 1
600 1 39 VAL HA 1 43 SER HA . . 5.500 5.564 5.180 5.847 0.347 3 0 "[ . 1 . 2]" 1
601 1 39 VAL HB 1 42 THR MG . . 5.280 4.453 3.862 5.186 . 0 0 "[ . 1 . 2]" 1
602 1 39 VAL QG 1 40 TRP H . . 3.520 2.565 2.158 3.289 . 0 0 "[ . 1 . 2]" 1
603 1 39 VAL QG 1 40 TRP HA . . 4.370 3.291 3.116 3.805 . 0 0 "[ . 1 . 2]" 1
604 1 39 VAL QG 1 40 TRP QB . . 5.280 3.461 2.890 4.262 . 0 0 "[ . 1 . 2]" 1
605 1 39 VAL QG 1 43 SER H . . 4.500 3.538 3.241 3.696 . 0 0 "[ . 1 . 2]" 1
606 1 39 VAL QG 1 43 SER HA . . 4.940 4.583 4.175 4.852 . 0 0 "[ . 1 . 2]" 1
607 1 39 VAL QG 1 43 SER QB . . 3.880 2.274 1.884 2.684 . 0 0 "[ . 1 . 2]" 1
608 1 39 VAL QG 1 45 SER HA . . 5.440 5.260 4.553 5.732 0.292 2 0 "[ . 1 . 2]" 1
609 1 39 VAL QG 1 45 SER QB . . 4.280 3.464 2.540 4.421 0.141 2 0 "[ . 1 . 2]" 1
610 1 39 VAL MG1 1 40 TRP H . . 4.080 2.633 2.168 3.686 . 0 0 "[ . 1 . 2]" 1
611 1 39 VAL MG1 1 45 SER QB . . 5.370 3.745 2.547 4.952 . 0 0 "[ . 1 . 2]" 1
612 1 39 VAL MG2 1 40 TRP H . . 4.080 3.882 3.651 4.077 . 0 0 "[ . 1 . 2]" 1
613 1 39 VAL MG2 1 45 SER QB . . 5.370 4.743 2.738 5.634 0.264 4 0 "[ . 1 . 2]" 1
614 1 40 TRP H 1 40 TRP HE3 . . 4.730 4.296 2.388 4.938 0.208 1 0 "[ . 1 . 2]" 1
615 1 40 TRP H 1 41 ILE H . . 3.560 2.783 2.659 2.879 . 0 0 "[ . 1 . 2]" 1
616 1 40 TRP H 1 41 ILE HB . . 5.040 4.795 4.498 5.008 . 0 0 "[ . 1 . 2]" 1
617 1 40 TRP H 1 41 ILE MD . . 4.520 4.448 4.093 5.022 0.502 3 1 "[ + . 1 . 2]" 1
618 1 40 TRP H 1 45 SER QB . . 5.500 4.987 4.096 5.539 0.039 10 0 "[ . 1 . 2]" 1
619 1 40 TRP HA 1 45 SER QB . . 4.310 3.083 2.044 4.199 . 0 0 "[ . 1 . 2]" 1
620 1 40 TRP QB 1 41 ILE H . . 4.530 2.860 2.692 3.089 . 0 0 "[ . 1 . 2]" 1
621 1 40 TRP HB2 1 41 ILE H . . 4.810 3.955 3.122 4.290 . 0 0 "[ . 1 . 2]" 1
622 1 40 TRP HB3 1 41 ILE H . . 4.810 2.992 2.733 3.628 . 0 0 "[ . 1 . 2]" 1
623 1 40 TRP HE3 1 41 ILE H . . 4.830 4.292 2.949 5.368 0.538 5 3 "[- + * . 2]" 1
624 1 41 ILE H 1 41 ILE HB . . 3.910 2.264 2.094 2.416 . 0 0 "[ . 1 . 2]" 1
625 1 41 ILE H 1 41 ILE MD . . 3.870 2.726 2.268 3.307 . 0 0 "[ . 1 . 2]" 1
626 1 41 ILE H 1 41 ILE HG12 . . 4.830 4.099 3.792 4.295 . 0 0 "[ . 1 . 2]" 1
627 1 41 ILE H 1 41 ILE QG . . 4.020 3.248 2.359 3.823 . 0 0 "[ . 1 . 2]" 1
628 1 41 ILE H 1 41 ILE HG13 . . 4.830 3.493 2.383 4.298 . 0 0 "[ . 1 . 2]" 1
629 1 41 ILE H 1 41 ILE MG . . 3.920 3.690 3.410 3.792 . 0 0 "[ . 1 . 2]" 1
630 1 41 ILE H 1 42 THR H . . 4.370 2.790 2.587 2.883 . 0 0 "[ . 1 . 2]" 1
631 1 41 ILE H 1 42 THR HB . . 5.500 5.556 5.246 5.920 0.420 5 0 "[ . 1 . 2]" 1
632 1 41 ILE H 1 42 THR MG . . 4.630 3.995 3.786 4.278 . 0 0 "[ . 1 . 2]" 1
633 1 41 ILE H 1 44 ARG HA . . 5.280 5.297 4.964 5.541 0.261 3 0 "[ . 1 . 2]" 1
634 1 41 ILE HA 1 41 ILE MD . . 3.880 3.084 2.323 3.886 0.006 5 0 "[ . 1 . 2]" 1
635 1 41 ILE HA 1 41 ILE HG12 . . 3.840 3.265 2.655 3.626 . 0 0 "[ . 1 . 2]" 1
636 1 41 ILE HA 1 41 ILE HG13 . . 3.840 2.388 2.197 2.669 . 0 0 "[ . 1 . 2]" 1
637 1 41 ILE HA 1 41 ILE MG . . 3.460 2.690 2.503 2.987 . 0 0 "[ . 1 . 2]" 1
638 1 41 ILE HA 1 43 SER H . . 5.500 5.187 4.748 5.665 0.165 12 0 "[ . 1 . 2]" 1
639 1 41 ILE HA 1 44 ARG H . . 4.880 4.295 3.673 4.986 0.106 10 0 "[ . 1 . 2]" 1
640 1 41 ILE HB 1 41 ILE MD . . 3.360 2.380 2.132 2.547 . 0 0 "[ . 1 . 2]" 1
641 1 41 ILE HB 1 42 THR H . . 4.320 2.805 2.385 3.264 . 0 0 "[ . 1 . 2]" 1
642 1 41 ILE HB 1 42 THR HA . . 5.150 4.918 4.632 5.399 0.249 9 0 "[ . 1 . 2]" 1
643 1 41 ILE HB 1 42 THR MG . . 4.640 3.983 3.264 4.516 . 0 0 "[ . 1 . 2]" 1
644 1 41 ILE MD 1 42 THR H . . 4.720 4.435 4.224 4.734 0.014 11 0 "[ . 1 . 2]" 1
645 1 41 ILE QG 1 41 ILE MG . . 3.000 2.115 2.042 2.262 . 0 0 "[ . 1 . 2]" 1
646 1 41 ILE MG 1 42 THR H . . 4.000 2.864 2.601 3.325 . 0 0 "[ . 1 . 2]" 1
647 1 41 ILE MG 1 42 THR HA . . 3.970 3.243 2.998 3.588 . 0 0 "[ . 1 . 2]" 1
648 1 41 ILE MG 1 42 THR HB . . 4.260 3.309 2.981 3.670 . 0 0 "[ . 1 . 2]" 1
649 1 41 ILE MG 1 42 THR MG . . 3.530 3.649 2.457 4.080 0.550 13 3 "[ . - 1 +*. 2]" 1
650 1 41 ILE MG 1 43 SER H . . 4.970 4.976 4.780 5.329 0.359 12 0 "[ . 1 . 2]" 1
651 1 42 THR H 1 42 THR MG . . 3.610 2.108 2.044 2.226 . 0 0 "[ . 1 . 2]" 1
652 1 42 THR H 1 43 SER H . . 4.320 2.671 2.479 2.847 . 0 0 "[ . 1 . 2]" 1
653 1 42 THR H 1 44 ARG H . . 4.560 3.757 3.355 4.619 0.059 10 0 "[ . 1 . 2]" 1
654 1 42 THR HA 1 42 THR MG . . 3.320 3.241 3.208 3.277 . 0 0 "[ . 1 . 2]" 1
655 1 42 THR HB 1 43 SER H . . 4.800 4.010 3.896 4.158 . 0 0 "[ . 1 . 2]" 1
656 1 42 THR MG 1 43 SER H . . 4.060 2.019 1.905 2.170 . 0 0 "[ . 1 . 2]" 1
657 1 42 THR MG 1 43 SER HA . . 4.600 3.907 3.503 4.264 . 0 0 "[ . 1 . 2]" 1
658 1 43 SER H 1 43 SER QB . . 3.550 2.266 2.192 2.622 . 0 0 "[ . 1 . 2]" 1
659 1 43 SER H 1 44 ARG H . . 3.880 2.558 2.349 3.138 . 0 0 "[ . 1 . 2]" 1
660 1 43 SER QB 1 44 ARG H . . 4.210 3.101 2.623 3.922 . 0 0 "[ . 1 . 2]" 1
661 1 44 ARG H 1 44 ARG HD2 . . 4.990 4.404 3.003 5.289 0.299 16 0 "[ . 1 . 2]" 1
662 1 44 ARG H 1 44 ARG HD3 . . 4.990 3.871 2.111 4.990 0.000 16 0 "[ . 1 . 2]" 1
663 1 44 ARG H 1 44 ARG QG . . 4.380 3.122 2.485 4.390 0.010 20 0 "[ . 1 . 2]" 1
664 1 44 ARG H 1 45 SER H . . 3.830 2.969 2.747 4.012 0.182 10 0 "[ . 1 . 2]" 1
665 1 44 ARG HA 1 44 ARG HD2 . . 4.210 3.219 2.127 4.201 . 0 0 "[ . 1 . 2]" 1
666 1 44 ARG HA 1 44 ARG QD . . 3.660 2.705 2.102 3.785 0.125 10 0 "[ . 1 . 2]" 1
667 1 44 ARG HA 1 44 ARG HD3 . . 4.210 3.194 2.217 4.308 0.098 17 0 "[ . 1 . 2]" 1
668 1 44 ARG HA 1 44 ARG HG2 . . 4.220 3.105 2.497 3.745 . 0 0 "[ . 1 . 2]" 1
669 1 44 ARG HA 1 44 ARG QG . . 3.700 2.647 2.059 3.446 . 0 0 "[ . 1 . 2]" 1
670 1 44 ARG HA 1 44 ARG HG3 . . 4.220 3.301 2.080 4.183 . 0 0 "[ . 1 . 2]" 1
671 1 44 ARG HA 1 45 SER HA . . 5.020 4.687 4.498 4.826 . 0 0 "[ . 1 . 2]" 1
672 1 44 ARG QB 1 45 SER H . . 4.620 3.917 3.742 4.084 . 0 0 "[ . 1 . 2]" 1
673 1 45 SER H 1 45 SER QB . . 3.890 2.249 2.152 2.351 . 0 0 "[ . 1 . 2]" 1
674 1 45 SER QB 1 46 ARG H . . 4.320 2.973 2.192 3.852 . 0 0 "[ . 1 . 2]" 1
675 1 46 ARG H 1 46 ARG QB . . 3.490 2.556 2.122 3.302 . 0 0 "[ . 1 . 2]" 1
676 1 46 ARG H 1 46 ARG QD . . 4.800 3.808 2.044 4.728 . 0 0 "[ . 1 . 2]" 1
677 1 46 ARG H 1 46 ARG QG . . 4.260 3.186 2.133 4.259 . 0 0 "[ . 1 . 2]" 1
678 1 46 ARG HA 1 46 ARG QD . . 4.030 3.158 1.982 4.120 0.090 8 0 "[ . 1 . 2]" 1
679 1 46 ARG HA 1 46 ARG QG . . 3.550 2.733 2.094 3.453 . 0 0 "[ . 1 . 2]" 1
680 1 46 ARG HA 1 47 LYS QB . . 5.210 4.775 4.270 5.337 0.127 20 0 "[ . 1 . 2]" 1
681 1 46 ARG HA 1 47 LYS QG . . 5.340 4.532 3.635 5.263 . 0 0 "[ . 1 . 2]" 1
682 1 46 ARG QB 1 47 LYS H . . 3.550 2.928 1.983 3.732 0.182 20 0 "[ . 1 . 2]" 1
683 1 46 ARG QB 1 47 LYS HA . . 5.050 4.486 4.033 4.989 . 0 0 "[ . 1 . 2]" 1
684 1 46 ARG HB2 1 46 ARG QD . . 3.660 2.791 2.152 3.544 . 0 0 "[ . 1 . 2]" 1
685 1 46 ARG HB2 1 47 LYS H . . 4.380 3.686 2.024 4.386 0.006 12 0 "[ . 1 . 2]" 1
686 1 46 ARG HB3 1 46 ARG QD . . 3.660 2.665 2.133 3.584 . 0 0 "[ . 1 . 2]" 1
687 1 46 ARG HB3 1 47 LYS H . . 4.380 3.254 2.128 4.464 0.084 9 0 "[ . 1 . 2]" 1
688 1 46 ARG QG 1 47 LYS H . . 4.560 3.781 2.027 4.556 . 0 0 "[ . 1 . 2]" 1
689 1 47 LYS H 1 47 LYS QD . . 4.980 3.945 2.111 4.841 . 0 0 "[ . 1 . 2]" 1
690 1 47 LYS H 1 47 LYS HG2 . . 5.080 3.218 2.255 4.526 . 0 0 "[ . 1 . 2]" 1
691 1 47 LYS H 1 47 LYS QG . . 4.400 2.782 2.214 4.173 . 0 0 "[ . 1 . 2]" 1
692 1 47 LYS H 1 47 LYS HG3 . . 5.080 3.522 2.243 5.187 0.107 19 0 "[ . 1 . 2]" 1
693 1 47 LYS HA 1 47 LYS QD . . 4.350 3.749 2.235 4.501 0.151 20 0 "[ . 1 . 2]" 1
694 1 47 LYS HA 1 47 LYS QG . . 3.590 2.778 2.214 3.466 . 0 0 "[ . 1 . 2]" 1
695 1 47 LYS QB 1 47 LYS QE . . 4.490 2.742 1.929 3.684 . 0 0 "[ . 1 . 2]" 1
696 1 47 LYS HB2 1 48 THR H . . 4.530 3.986 2.562 4.682 0.152 13 0 "[ . 1 . 2]" 1
697 1 47 LYS HB3 1 48 THR H . . 4.530 3.786 1.946 4.554 0.024 7 0 "[ . 1 . 2]" 1
698 1 47 LYS QE 1 47 LYS QG . . 3.430 2.322 2.057 2.680 . 0 0 "[ . 1 . 2]" 1
699 1 47 LYS QG 1 48 THR H . . 5.030 4.006 2.313 4.823 . 0 0 "[ . 1 . 2]" 1
700 1 48 THR H 1 48 THR HB . . 3.850 3.379 2.477 3.722 . 0 0 "[ . 1 . 2]" 1
701 1 48 THR H 1 48 THR MG . . 3.770 2.990 1.956 3.592 . 0 0 "[ . 1 . 2]" 1
702 1 48 THR H 1 49 PRO HD2 . . 5.330 4.795 4.212 4.955 . 0 0 "[ . 1 . 2]" 1
703 1 48 THR H 1 49 PRO QD . . 4.520 4.274 3.380 4.449 . 0 0 "[ . 1 . 2]" 1
704 1 48 THR H 1 49 PRO HD3 . . 5.330 4.834 3.553 5.121 . 0 0 "[ . 1 . 2]" 1
705 1 48 THR HA 1 48 THR MG . . 3.250 2.339 2.092 3.261 0.011 18 0 "[ . 1 . 2]" 1
706 1 48 THR HA 1 49 PRO HD2 . . 3.460 2.386 2.045 2.566 . 0 0 "[ . 1 . 2]" 1
707 1 48 THR HA 1 49 PRO HD3 . . 3.460 2.451 2.288 3.009 . 0 0 "[ . 1 . 2]" 1
708 1 48 THR HA 1 52 ILE HB . . 5.280 4.772 3.320 5.583 0.303 13 0 "[ . 1 . 2]" 1
709 1 48 THR HB 1 49 PRO QD . . 4.130 2.913 2.274 4.107 . 0 0 "[ . 1 . 2]" 1
710 1 48 THR HB 1 49 PRO QG . . 5.450 4.438 3.797 5.609 0.159 5 0 "[ . 1 . 2]" 1
711 1 48 THR HB 1 52 ILE MG . . 4.860 3.241 2.115 5.148 0.288 13 0 "[ . 1 . 2]" 1
712 1 48 THR HB 1 53 ILE MD . . 4.350 2.830 2.039 3.693 . 0 0 "[ . 1 . 2]" 1
713 1 48 THR MG 1 49 PRO QD . . 3.530 2.716 2.142 3.878 0.348 18 0 "[ . 1 . 2]" 1
714 1 48 THR MG 1 49 PRO QG . . 5.130 4.246 3.804 5.307 0.177 5 0 "[ . 1 . 2]" 1
715 1 48 THR MG 1 52 ILE MG . . 3.890 2.909 2.072 4.207 0.317 17 0 "[ . 1 . 2]" 1
716 1 48 THR MG 1 53 ILE MD . . 4.080 2.877 1.982 3.561 . 0 0 "[ . 1 . 2]" 1
717 1 48 THR MG 1 53 ILE QG . . 4.170 3.734 1.984 4.555 0.385 9 0 "[ . 1 . 2]" 1
718 1 49 PRO HA 1 50 ILE H . . 3.420 2.203 2.130 2.258 . 0 0 "[ . 1 . 2]" 1
719 1 49 PRO HA 1 50 ILE HA . . 4.420 4.413 4.370 4.508 0.088 13 0 "[ . 1 . 2]" 1
720 1 49 PRO HA 1 50 ILE MD . . 5.500 5.310 5.196 5.581 0.081 14 0 "[ . 1 . 2]" 1
721 1 49 PRO HA 1 52 ILE HB . . 4.870 4.898 4.712 5.076 0.206 15 0 "[ . 1 . 2]" 1
722 1 49 PRO HA 1 52 ILE MG . . 5.500 5.772 5.502 6.078 0.578 15 4 "[ . - 1 + * *2]" 1
723 1 49 PRO QB 1 50 ILE HA . . 5.500 4.821 4.723 5.019 . 0 0 "[ . 1 . 2]" 1
724 1 49 PRO QB 1 50 ILE HG12 . . 5.500 4.085 3.541 4.829 . 0 0 "[ . 1 . 2]" 1
725 1 49 PRO QB 1 50 ILE HG13 . . 5.500 4.167 3.236 4.572 . 0 0 "[ . 1 . 2]" 1
726 1 49 PRO QB 1 52 ILE HA . . 5.500 5.457 5.127 5.750 0.250 9 0 "[ . 1 . 2]" 1
727 1 49 PRO QB 1 52 ILE HB . . 4.020 3.745 3.101 4.001 . 0 0 "[ . 1 . 2]" 1
728 1 49 PRO QB 1 52 ILE MD . . 5.100 3.801 2.373 4.845 . 0 0 "[ . 1 . 2]" 1
729 1 49 PRO QB 1 52 ILE QG . . 4.930 4.098 3.235 4.551 . 0 0 "[ . 1 . 2]" 1
730 1 49 PRO QB 1 52 ILE MG . . 4.860 4.925 4.366 5.148 0.288 3 0 "[ . 1 . 2]" 1
731 1 49 PRO QD 1 52 ILE HB . . 4.090 2.753 2.249 3.676 . 0 0 "[ . 1 . 2]" 1
732 1 49 PRO QD 1 52 ILE MD . . 4.510 3.325 2.046 4.732 0.222 15 0 "[ . 1 . 2]" 1
733 1 49 PRO QD 1 52 ILE MG . . 4.190 3.193 2.853 3.628 . 0 0 "[ . 1 . 2]" 1
734 1 49 PRO HD2 1 52 ILE HB . . 4.720 2.792 2.263 3.793 . 0 0 "[ . 1 . 2]" 1
735 1 49 PRO HD2 1 52 ILE MG . . 4.830 3.248 2.889 3.717 . 0 0 "[ . 1 . 2]" 1
736 1 49 PRO HD3 1 52 ILE HB . . 4.720 4.295 3.906 4.933 0.213 13 0 "[ . 1 . 2]" 1
737 1 49 PRO HD3 1 52 ILE MG . . 4.830 4.729 4.405 5.073 0.243 15 0 "[ . 1 . 2]" 1
738 1 49 PRO QG 1 50 ILE H . . 4.820 4.577 4.400 4.839 0.019 13 0 "[ . 1 . 2]" 1
739 1 49 PRO QG 1 52 ILE HA . . 4.810 4.288 4.125 4.752 . 0 0 "[ . 1 . 2]" 1
740 1 49 PRO QG 1 52 ILE MD . . 5.360 2.455 2.037 3.660 . 0 0 "[ . 1 . 2]" 1
741 1 49 PRO QG 1 52 ILE MG . . 5.080 3.518 2.964 3.745 . 0 0 "[ . 1 . 2]" 1
742 1 50 ILE H 1 50 ILE HB . . 3.790 3.625 3.607 3.634 . 0 0 "[ . 1 . 2]" 1
743 1 50 ILE H 1 50 ILE MD . . 3.870 3.721 3.635 3.886 0.016 9 0 "[ . 1 . 2]" 1
744 1 50 ILE H 1 50 ILE HG12 . . 4.550 2.146 2.033 2.862 . 0 0 "[ . 1 . 2]" 1
745 1 50 ILE H 1 50 ILE QG . . 3.930 2.068 2.005 2.245 . 0 0 "[ . 1 . 2]" 1
746 1 50 ILE H 1 50 ILE HG13 . . 4.550 3.018 2.341 3.293 . 0 0 "[ . 1 . 2]" 1
747 1 50 ILE H 1 50 ILE MG . . 3.890 2.382 2.255 2.518 . 0 0 "[ . 1 . 2]" 1
748 1 50 ILE HA 1 50 ILE MG . . 3.500 2.205 2.160 2.263 . 0 0 "[ . 1 . 2]" 1
749 1 50 ILE HA 1 51 PHE HA . . 5.270 4.850 4.793 4.894 . 0 0 "[ . 1 . 2]" 1
750 1 50 ILE HB 1 50 ILE MD . . 3.430 2.367 2.193 2.462 . 0 0 "[ . 1 . 2]" 1
751 1 50 ILE HB 1 51 PHE H . . 4.160 3.579 3.468 3.682 . 0 0 "[ . 1 . 2]" 1
752 1 50 ILE HB 1 51 PHE HA . . 4.620 4.357 4.275 4.417 . 0 0 "[ . 1 . 2]" 1
753 1 50 ILE MD 1 51 PHE H . . 4.580 3.727 2.753 3.889 . 0 0 "[ . 1 . 2]" 1
754 1 50 ILE MD 1 51 PHE QB . . 4.460 4.314 3.630 4.702 0.242 11 0 "[ . 1 . 2]" 1
755 1 50 ILE QG 1 51 PHE H . . 3.450 2.058 1.919 2.146 . 0 0 "[ . 1 . 2]" 1
756 1 50 ILE HG12 1 50 ILE MG . . 3.270 2.396 2.190 2.489 . 0 0 "[ . 1 . 2]" 1
757 1 50 ILE HG13 1 50 ILE MG . . 3.270 3.235 3.015 3.269 . 0 0 "[ . 1 . 2]" 1
758 1 50 ILE MG 1 51 PHE H . . 4.090 4.123 4.089 4.200 0.110 16 0 "[ . 1 . 2]" 1
759 1 51 PHE H 1 51 PHE QB . . 3.000 2.129 2.016 2.296 . 0 0 "[ . 1 . 2]" 1
760 1 51 PHE H 1 52 ILE H . . 3.620 2.818 2.719 2.891 . 0 0 "[ . 1 . 2]" 1
761 1 51 PHE HA 1 52 ILE HA . . 5.500 4.843 4.808 4.883 . 0 0 "[ . 1 . 2]" 1
762 1 51 PHE HA 1 54 ASN HB2 . . 4.620 3.326 2.570 3.959 . 0 0 "[ . 1 . 2]" 1
763 1 51 PHE HA 1 54 ASN QB . . 4.040 2.698 2.478 2.986 . 0 0 "[ . 1 . 2]" 1
764 1 51 PHE HA 1 54 ASN HB3 . . 4.620 3.230 2.552 4.561 . 0 0 "[ . 1 . 2]" 1
765 1 51 PHE QB 1 52 ILE H . . 4.220 2.715 2.433 3.459 . 0 0 "[ . 1 . 2]" 1
766 1 51 PHE QB 1 52 ILE HA . . 4.560 4.143 3.944 4.879 0.319 5 0 "[ . 1 . 2]" 1
767 1 52 ILE H 1 52 ILE HB . . 3.750 2.221 2.089 2.294 . 0 0 "[ . 1 . 2]" 1
768 1 52 ILE H 1 52 ILE MD . . 4.060 3.247 2.255 3.966 . 0 0 "[ . 1 . 2]" 1
769 1 52 ILE H 1 52 ILE HG12 . . 4.280 3.757 2.624 4.262 . 0 0 "[ . 1 . 2]" 1
770 1 52 ILE H 1 52 ILE QG . . 4.220 3.178 2.577 3.685 . 0 0 "[ . 1 . 2]" 1
771 1 52 ILE H 1 52 ILE HG13 . . 4.280 3.703 2.856 4.329 0.049 4 0 "[ . 1 . 2]" 1
772 1 52 ILE H 1 52 ILE MG . . 4.100 3.641 3.513 3.727 . 0 0 "[ . 1 . 2]" 1
773 1 52 ILE H 1 53 ILE H . . 3.270 2.672 2.545 2.761 . 0 0 "[ . 1 . 2]" 1
774 1 52 ILE H 1 53 ILE QG . . 4.710 4.237 4.090 4.353 . 0 0 "[ . 1 . 2]" 1
775 1 52 ILE H 1 54 ASN H . . 4.500 4.144 3.948 4.304 . 0 0 "[ . 1 . 2]" 1
776 1 52 ILE HA 1 52 ILE MD . . 3.630 2.823 2.119 3.818 0.188 3 0 "[ . 1 . 2]" 1
777 1 52 ILE HA 1 52 ILE QG . . 3.650 2.480 2.163 2.733 . 0 0 "[ . 1 . 2]" 1
778 1 52 ILE HA 1 52 ILE MG . . 3.500 2.722 2.599 2.874 . 0 0 "[ . 1 . 2]" 1
779 1 52 ILE HA 1 55 GLN H . . 4.350 3.675 3.485 3.839 . 0 0 "[ . 1 . 2]" 1
780 1 52 ILE HA 1 55 GLN QB . . 5.160 2.979 2.438 4.234 . 0 0 "[ . 1 . 2]" 1
781 1 52 ILE HA 1 55 GLN QG . . 4.300 3.544 2.027 4.380 0.080 3 0 "[ . 1 . 2]" 1
782 1 52 ILE HB 1 53 ILE H . . 4.200 2.715 2.516 2.892 . 0 0 "[ . 1 . 2]" 1
783 1 52 ILE QG 1 52 ILE MG . . 3.080 2.222 2.048 2.441 . 0 0 "[ . 1 . 2]" 1
784 1 52 ILE HG12 1 52 ILE MG . . 3.670 2.549 2.239 3.246 . 0 0 "[ . 1 . 2]" 1
785 1 52 ILE HG13 1 52 ILE MG . . 3.670 2.652 2.255 3.260 . 0 0 "[ . 1 . 2]" 1
786 1 52 ILE MG 1 53 ILE H . . 4.180 2.716 2.528 3.153 . 0 0 "[ . 1 . 2]" 1
787 1 52 ILE MG 1 53 ILE HA . . 3.950 3.031 2.936 3.312 . 0 0 "[ . 1 . 2]" 1
788 1 52 ILE MG 1 53 ILE QG . . 4.390 3.025 2.743 3.541 . 0 0 "[ . 1 . 2]" 1
789 1 53 ILE H 1 53 ILE HB . . 3.720 2.627 2.555 2.692 . 0 0 "[ . 1 . 2]" 1
790 1 53 ILE H 1 53 ILE MD . . 3.630 3.130 2.975 3.321 . 0 0 "[ . 1 . 2]" 1
791 1 53 ILE H 1 53 ILE HG12 . . 4.180 2.135 2.033 2.247 . 0 0 "[ . 1 . 2]" 1
792 1 53 ILE H 1 53 ILE QG . . 3.650 2.120 2.022 2.229 . 0 0 "[ . 1 . 2]" 1
793 1 53 ILE H 1 53 ILE HG13 . . 4.180 3.633 3.569 3.715 . 0 0 "[ . 1 . 2]" 1
794 1 53 ILE H 1 53 ILE MG . . 3.830 3.829 3.799 3.847 0.017 14 0 "[ . 1 . 2]" 1
795 1 53 ILE H 1 54 ASN H . . 3.310 2.816 2.715 2.886 . 0 0 "[ . 1 . 2]" 1
796 1 53 ILE HA 1 53 ILE MD . . 3.350 2.194 2.132 2.320 . 0 0 "[ . 1 . 2]" 1
797 1 53 ILE HA 1 53 ILE HG12 . . 3.930 3.218 3.111 3.329 . 0 0 "[ . 1 . 2]" 1
798 1 53 ILE HA 1 53 ILE HG13 . . 3.930 3.783 3.710 3.843 . 0 0 "[ . 1 . 2]" 1
799 1 53 ILE HA 1 53 ILE MG . . 3.320 2.330 2.236 2.401 . 0 0 "[ . 1 . 2]" 1
800 1 53 ILE HA 1 56 VAL H . . 4.170 3.557 3.299 3.852 . 0 0 "[ . 1 . 2]" 1
801 1 53 ILE HA 1 56 VAL HB . . 5.130 3.461 2.278 5.017 . 0 0 "[ . 1 . 2]" 1
802 1 53 ILE HA 1 56 VAL QG . . 3.750 2.278 1.969 2.901 . 0 0 "[ . 1 . 2]" 1
803 1 53 ILE HB 1 53 ILE MD . . 3.370 3.283 3.241 3.302 . 0 0 "[ . 1 . 2]" 1
804 1 53 ILE HB 1 54 ASN H . . 3.960 2.698 2.513 2.998 . 0 0 "[ . 1 . 2]" 1
805 1 53 ILE MD 1 56 VAL H . . 5.010 5.049 4.870 5.216 0.206 5 0 "[ . 1 . 2]" 1
806 1 53 ILE MD 1 56 VAL HB . . 5.370 4.383 3.407 5.514 0.144 19 0 "[ . 1 . 2]" 1
807 1 53 ILE MD 1 56 VAL QG . . 3.770 2.915 2.577 3.141 . 0 0 "[ . 1 . 2]" 1
808 1 53 ILE QG 1 53 ILE MG . . 2.980 2.240 2.194 2.264 . 0 0 "[ . 1 . 2]" 1
809 1 53 ILE HG12 1 53 ILE MG . . 3.670 3.233 3.220 3.240 . 0 0 "[ . 1 . 2]" 1
810 1 53 ILE HG13 1 53 ILE MG . . 3.670 2.284 2.233 2.312 . 0 0 "[ . 1 . 2]" 1
811 1 53 ILE MG 1 54 ASN H . . 3.850 3.539 3.361 3.668 . 0 0 "[ . 1 . 2]" 1
812 1 53 ILE MG 1 56 VAL QG . . 3.200 3.364 2.974 3.567 0.367 15 0 "[ . 1 . 2]" 1
813 1 54 ASN H 1 54 ASN QB . . 3.340 2.222 2.149 2.358 . 0 0 "[ . 1 . 2]" 1
814 1 55 GLN H 1 55 GLN HG2 . . 4.460 3.247 2.110 4.555 0.095 1 0 "[ . 1 . 2]" 1
815 1 55 GLN H 1 55 GLN QG . . 3.780 2.756 2.092 3.963 0.183 1 0 "[ . 1 . 2]" 1
816 1 55 GLN H 1 55 GLN HG3 . . 4.460 3.363 2.158 4.431 . 0 0 "[ . 1 . 2]" 1
817 1 55 GLN HA 1 55 GLN HG2 . . 4.160 3.018 2.234 4.121 . 0 0 "[ . 1 . 2]" 1
818 1 55 GLN HA 1 55 GLN QG . . 3.500 2.669 2.181 3.389 . 0 0 "[ . 1 . 2]" 1
819 1 55 GLN HA 1 55 GLN HG3 . . 4.160 3.293 2.414 3.827 . 0 0 "[ . 1 . 2]" 1
820 1 55 GLN HA 1 58 LEU QD . . 5.440 3.436 2.809 4.204 . 0 0 "[ . 1 . 2]" 1
821 1 55 GLN QB 1 56 VAL H . . 4.650 2.752 2.407 3.560 . 0 0 "[ . 1 . 2]" 1
822 1 56 VAL H 1 56 VAL HB . . 3.610 3.009 2.376 3.716 0.106 19 0 "[ . 1 . 2]" 1
823 1 56 VAL H 1 56 VAL MG1 . . 4.030 3.247 2.153 3.844 . 0 0 "[ . 1 . 2]" 1
824 1 56 VAL H 1 56 VAL QG . . 3.140 2.141 1.940 2.364 . 0 0 "[ . 1 . 2]" 1
825 1 56 VAL H 1 56 VAL MG2 . . 4.030 2.242 2.168 2.390 . 0 0 "[ . 1 . 2]" 1
826 1 56 VAL H 1 57 SER H . . 3.790 2.951 2.787 3.101 . 0 0 "[ . 1 . 2]" 1
827 1 56 VAL HA 1 56 VAL MG1 . . 3.430 2.402 2.239 2.499 . 0 0 "[ . 1 . 2]" 1
828 1 56 VAL HA 1 56 VAL QG . . 2.970 2.230 2.083 2.403 . 0 0 "[ . 1 . 2]" 1
829 1 56 VAL HA 1 56 VAL MG2 . . 3.430 2.745 2.361 3.259 . 0 0 "[ . 1 . 2]" 1
830 1 56 VAL HA 1 57 SER HA . . 4.840 4.822 4.731 4.913 0.073 16 0 "[ . 1 . 2]" 1
831 1 56 VAL HA 1 59 PHE H . . 4.180 3.760 3.490 3.998 . 0 0 "[ . 1 . 2]" 1
832 1 56 VAL HA 1 59 PHE QB . . 3.930 2.732 2.381 2.948 . 0 0 "[ . 1 . 2]" 1
833 1 56 VAL HA 1 60 LEU MD1 . . 5.270 4.337 3.004 5.657 0.387 10 0 "[ . 1 . 2]" 1
834 1 56 VAL HA 1 60 LEU QD . . 4.130 3.640 2.937 4.157 0.027 15 0 "[ . 1 . 2]" 1
835 1 56 VAL HA 1 60 LEU MD2 . . 5.270 4.449 3.140 5.188 . 0 0 "[ . 1 . 2]" 1
836 1 56 VAL HB 1 57 SER H . . 3.890 2.850 2.250 3.855 . 0 0 "[ . 1 . 2]" 1
837 1 56 VAL HB 1 57 SER HA . . 4.380 4.418 4.099 4.731 0.351 1 0 "[ . 1 . 2]" 1
838 1 56 VAL HB 1 60 LEU QD . . 4.730 3.602 2.220 4.357 . 0 0 "[ . 1 . 2]" 1
839 1 56 VAL QG 1 57 SER H . . 3.640 2.692 2.023 3.209 . 0 0 "[ . 1 . 2]" 1
840 1 56 VAL QG 1 57 SER HA . . 4.370 3.357 3.024 3.641 . 0 0 "[ . 1 . 2]" 1
841 1 56 VAL QG 1 59 PHE H . . 5.350 4.681 4.514 4.806 . 0 0 "[ . 1 . 2]" 1
842 1 56 VAL QG 1 59 PHE QB . . 4.110 3.842 3.692 4.106 . 0 0 "[ . 1 . 2]" 1
843 1 56 VAL QG 1 60 LEU QD . . 3.040 2.325 1.864 2.904 . 0 0 "[ . 1 . 2]" 1
844 1 56 VAL QG 1 60 LEU HG . . 3.780 3.766 2.920 4.227 0.447 11 0 "[ . 1 . 2]" 1
845 1 56 VAL MG1 1 57 SER H . . 4.170 3.462 2.713 4.026 . 0 0 "[ . 1 . 2]" 1
846 1 56 VAL MG1 1 57 SER HA . . 5.500 4.155 3.040 5.614 0.114 1 0 "[ . 1 . 2]" 1
847 1 56 VAL MG1 1 59 PHE QB . . 5.090 4.093 3.939 4.361 . 0 0 "[ . 1 . 2]" 1
848 1 56 VAL MG2 1 57 SER H . . 4.170 3.212 2.029 3.918 . 0 0 "[ . 1 . 2]" 1
849 1 56 VAL MG2 1 57 SER HA . . 5.500 4.704 3.269 5.482 . 0 0 "[ . 1 . 2]" 1
850 1 56 VAL MG2 1 59 PHE QB . . 5.090 4.675 4.347 5.009 . 0 0 "[ . 1 . 2]" 1
851 1 57 SER H 1 57 SER QB . . 3.540 2.343 2.140 3.049 . 0 0 "[ . 1 . 2]" 1
852 1 57 SER H 1 58 LEU H . . 4.260 2.963 2.836 3.096 . 0 0 "[ . 1 . 2]" 1
853 1 57 SER H 1 58 LEU HB2 . . 4.970 4.795 4.668 4.926 . 0 0 "[ . 1 . 2]" 1
854 1 57 SER H 1 58 LEU QB . . 4.740 4.653 4.536 4.772 0.032 1 0 "[ . 1 . 2]" 1
855 1 57 SER H 1 59 PHE QB . . 4.980 5.019 4.854 5.222 0.242 11 0 "[ . 1 . 2]" 1
856 1 57 SER H 1 60 LEU QB . . 5.360 5.063 4.331 5.462 0.102 7 0 "[ . 1 . 2]" 1
857 1 57 SER HA 1 58 LEU HA . . 5.370 4.860 4.784 4.933 . 0 0 "[ . 1 . 2]" 1
858 1 57 SER HA 1 60 LEU H . . 4.460 3.651 3.426 3.888 . 0 0 "[ . 1 . 2]" 1
859 1 57 SER HA 1 60 LEU HB2 . . 4.130 2.850 2.287 3.130 . 0 0 "[ . 1 . 2]" 1
860 1 57 SER HA 1 60 LEU HB3 . . 4.860 4.349 3.563 4.637 . 0 0 "[ . 1 . 2]" 1
861 1 57 SER HA 1 60 LEU MD1 . . 5.020 3.369 2.037 4.997 . 0 0 "[ . 1 . 2]" 1
862 1 57 SER HA 1 60 LEU QD . . 3.710 2.477 2.035 3.303 . 0 0 "[ . 1 . 2]" 1
863 1 57 SER HA 1 60 LEU MD2 . . 5.020 3.825 2.274 5.026 0.006 9 0 "[ . 1 . 2]" 1
864 1 57 SER HA 1 60 LEU HG . . 5.440 4.119 3.481 5.340 . 0 0 "[ . 1 . 2]" 1
865 1 57 SER HA 1 61 ILE MD . . 4.050 3.405 3.096 4.080 0.030 7 0 "[ . 1 . 2]" 1
866 1 57 SER QB 1 58 LEU H . . 4.230 2.471 2.281 3.213 . 0 0 "[ . 1 . 2]" 1
867 1 57 SER QB 1 59 PHE H . . 4.900 4.903 4.714 5.264 0.364 4 0 "[ . 1 . 2]" 1
868 1 57 SER QB 1 60 LEU QD . . 4.190 4.016 3.405 4.510 0.320 10 0 "[ . 1 . 2]" 1
869 1 58 LEU H 1 58 LEU QB . . 3.460 2.213 2.115 2.295 . 0 0 "[ . 1 . 2]" 1
870 1 58 LEU H 1 58 LEU HB3 . . 3.610 3.528 3.471 3.566 . 0 0 "[ . 1 . 2]" 1
871 1 58 LEU H 1 58 LEU MD1 . . 4.480 3.571 2.411 4.105 . 0 0 "[ . 1 . 2]" 1
872 1 58 LEU H 1 58 LEU QD . . 3.620 3.038 2.157 3.381 . 0 0 "[ . 1 . 2]" 1
873 1 58 LEU H 1 58 LEU MD2 . . 4.480 3.606 2.166 4.145 . 0 0 "[ . 1 . 2]" 1
874 1 58 LEU H 1 58 LEU HG . . 3.990 3.055 2.497 4.090 0.100 15 0 "[ . 1 . 2]" 1
875 1 58 LEU H 1 59 PHE H . . 3.270 2.953 2.875 3.027 . 0 0 "[ . 1 . 2]" 1
876 1 58 LEU H 1 60 LEU HB2 . . 5.500 5.227 4.811 5.552 0.052 2 0 "[ . 1 . 2]" 1
877 1 58 LEU H 1 60 LEU QD . . 5.400 4.973 4.645 5.391 . 0 0 "[ . 1 . 2]" 1
878 1 58 LEU HA 1 58 LEU MD1 . . 3.990 3.417 2.135 3.874 . 0 0 "[ . 1 . 2]" 1
879 1 58 LEU HA 1 58 LEU QD . . 3.250 2.171 1.984 2.450 . 0 0 "[ . 1 . 2]" 1
880 1 58 LEU HA 1 58 LEU MD2 . . 3.990 2.328 2.098 3.810 . 0 0 "[ . 1 . 2]" 1
881 1 58 LEU HA 1 59 PHE HA . . 5.500 4.827 4.775 4.870 . 0 0 "[ . 1 . 2]" 1
882 1 58 LEU HA 1 61 ILE HB . . 3.920 3.236 3.049 3.774 . 0 0 "[ . 1 . 2]" 1
883 1 58 LEU HA 1 61 ILE MD . . 3.880 2.820 2.140 4.127 0.247 12 0 "[ . 1 . 2]" 1
884 1 58 LEU HA 1 62 ILE QG . . 5.340 3.696 3.391 4.401 . 0 0 "[ . 1 . 2]" 1
885 1 58 LEU QB 1 59 PHE H . . 3.750 2.527 2.407 2.606 . 0 0 "[ . 1 . 2]" 1
886 1 58 LEU HB2 1 59 PHE H . . 4.040 2.677 2.525 2.796 . 0 0 "[ . 1 . 2]" 1
887 1 58 LEU HB2 1 59 PHE QB . . 4.600 4.396 4.175 4.796 0.196 8 0 "[ . 1 . 2]" 1
888 1 58 LEU HB3 1 58 LEU QD . . 2.990 2.161 2.058 2.324 . 0 0 "[ . 1 . 2]" 1
889 1 58 LEU HB3 1 59 PHE H . . 3.960 3.124 2.864 3.304 . 0 0 "[ . 1 . 2]" 1
890 1 58 LEU HB3 1 59 PHE HA . . 4.080 4.089 3.912 4.214 0.134 6 0 "[ . 1 . 2]" 1
891 1 58 LEU HB3 1 59 PHE QB . . 4.990 4.647 4.167 4.995 0.005 5 0 "[ . 1 . 2]" 1
892 1 58 LEU HB3 1 62 ILE MD . . 4.330 2.527 2.086 4.464 0.134 13 0 "[ . 1 . 2]" 1
893 1 58 LEU HB3 1 62 ILE QG . . 5.040 3.776 3.458 4.248 . 0 0 "[ . 1 . 2]" 1
894 1 58 LEU QD 1 59 PHE H . . 4.450 4.050 3.966 4.114 . 0 0 "[ . 1 . 2]" 1
895 1 58 LEU QD 1 59 PHE HA . . 5.440 4.919 4.650 5.261 . 0 0 "[ . 1 . 2]" 1
896 1 58 LEU QD 1 61 ILE HB . . 4.380 3.895 3.544 4.383 0.003 15 0 "[ . 1 . 2]" 1
897 1 58 LEU QD 1 62 ILE H . . 4.820 4.462 4.122 5.114 0.294 15 0 "[ . 1 . 2]" 1
898 1 58 LEU QD 1 62 ILE MD . . 3.010 2.525 2.045 3.101 0.091 13 0 "[ . 1 . 2]" 1
899 1 58 LEU QD 1 62 ILE QG . . 3.980 3.202 2.825 4.084 0.104 15 0 "[ . 1 . 2]" 1
900 1 58 LEU HG 1 59 PHE H . . 4.970 4.817 4.668 5.054 0.084 15 0 "[ . 1 . 2]" 1
901 1 59 PHE H 1 59 PHE QB . . 3.280 2.196 2.073 2.339 . 0 0 "[ . 1 . 2]" 1
902 1 59 PHE H 1 60 LEU QD . . 4.910 4.589 3.839 5.126 0.216 9 0 "[ . 1 . 2]" 1
903 1 59 PHE HA 1 60 LEU QD . . 5.440 5.157 4.479 5.588 0.148 16 0 "[ . 1 . 2]" 1
904 1 59 PHE HA 1 62 ILE H . . 4.540 3.670 3.412 3.843 . 0 0 "[ . 1 . 2]" 1
905 1 59 PHE HA 1 62 ILE HA . . 5.500 5.479 5.282 5.606 0.106 15 0 "[ . 1 . 2]" 1
906 1 59 PHE HA 1 62 ILE HB . . 4.030 2.622 2.472 2.843 . 0 0 "[ . 1 . 2]" 1
907 1 59 PHE HA 1 62 ILE MD . . 4.300 2.778 2.090 4.556 0.256 13 0 "[ . 1 . 2]" 1
908 1 59 PHE HA 1 62 ILE MG . . 4.230 3.939 3.754 4.224 . 0 0 "[ . 1 . 2]" 1
909 1 59 PHE QB 1 60 LEU H . . 3.970 2.645 2.559 2.902 . 0 0 "[ . 1 . 2]" 1
910 1 59 PHE QB 1 60 LEU MD1 . . 4.820 4.252 2.907 4.896 0.076 10 0 "[ . 1 . 2]" 1
911 1 59 PHE QB 1 60 LEU QD . . 4.230 3.541 2.589 4.165 . 0 0 "[ . 1 . 2]" 1
912 1 59 PHE QB 1 60 LEU MD2 . . 4.820 4.142 2.631 4.938 0.118 13 0 "[ . 1 . 2]" 1
913 1 60 LEU H 1 60 LEU HB2 . . 4.080 2.366 2.115 2.579 . 0 0 "[ . 1 . 2]" 1
914 1 60 LEU H 1 60 LEU QB . . 3.730 2.333 2.095 2.527 . 0 0 "[ . 1 . 2]" 1
915 1 60 LEU H 1 60 LEU HB3 . . 4.150 3.568 3.401 3.655 . 0 0 "[ . 1 . 2]" 1
916 1 60 LEU H 1 60 LEU MD1 . . 4.110 3.277 2.278 4.054 . 0 0 "[ . 1 . 2]" 1
917 1 60 LEU H 1 60 LEU QD . . 3.390 2.744 1.995 3.238 . 0 0 "[ . 1 . 2]" 1
918 1 60 LEU H 1 60 LEU MD2 . . 4.110 3.286 2.008 3.808 . 0 0 "[ . 1 . 2]" 1
919 1 60 LEU H 1 60 LEU HG . . 4.210 3.156 2.155 4.198 . 0 0 "[ . 1 . 2]" 1
920 1 60 LEU H 1 61 ILE MD . . 4.570 4.351 3.983 4.631 0.061 11 0 "[ . 1 . 2]" 1
921 1 60 LEU HA 1 60 LEU MD1 . . 4.050 3.165 2.142 3.999 . 0 0 "[ . 1 . 2]" 1
922 1 60 LEU HA 1 60 LEU QD . . 2.950 2.196 2.025 2.394 . 0 0 "[ . 1 . 2]" 1
923 1 60 LEU HA 1 60 LEU MD2 . . 4.050 2.696 2.103 3.870 . 0 0 "[ . 1 . 2]" 1
924 1 60 LEU HA 1 60 LEU HG . . 4.070 3.075 2.714 3.739 . 0 0 "[ . 1 . 2]" 1
925 1 60 LEU HA 1 63 LEU H . . 4.310 3.780 3.559 3.899 . 0 0 "[ . 1 . 2]" 1
926 1 60 LEU HA 1 63 LEU QB . . 3.660 2.672 2.511 2.777 . 0 0 "[ . 1 . 2]" 1
927 1 60 LEU HA 1 63 LEU QD . . 3.550 2.943 2.688 3.208 . 0 0 "[ . 1 . 2]" 1
928 1 60 LEU HB2 1 60 LEU MD1 . . 3.590 2.551 2.108 3.272 . 0 0 "[ . 1 . 2]" 1
929 1 60 LEU HB2 1 60 LEU QD . . 3.040 2.179 2.057 2.358 . 0 0 "[ . 1 . 2]" 1
930 1 60 LEU HB2 1 60 LEU MD2 . . 3.590 2.796 2.135 3.245 . 0 0 "[ . 1 . 2]" 1
931 1 60 LEU HB3 1 60 LEU MD1 . . 3.330 2.639 2.378 3.275 . 0 0 "[ . 1 . 2]" 1
932 1 60 LEU HB3 1 60 LEU MD2 . . 3.330 2.556 2.217 3.220 . 0 0 "[ . 1 . 2]" 1
933 1 60 LEU HB3 1 61 ILE HA . . 4.710 4.159 3.866 4.533 . 0 0 "[ . 1 . 2]" 1
934 1 60 LEU HB3 1 61 ILE MD . . 4.690 3.975 2.630 4.719 0.029 4 0 "[ . 1 . 2]" 1
935 1 60 LEU HB3 1 63 LEU H . . 5.500 5.620 5.456 5.725 0.225 16 0 "[ . 1 . 2]" 1
936 1 60 LEU HB3 1 63 LEU QD . . 5.280 4.871 4.479 5.290 0.010 2 0 "[ . 1 . 2]" 1
937 1 60 LEU QD 1 61 ILE MD . . 3.840 3.960 3.591 4.190 0.350 13 0 "[ . 1 . 2]" 1
938 1 60 LEU QD 1 63 LEU QB . . 4.560 3.849 3.472 4.097 . 0 0 "[ . 1 . 2]" 1
939 1 60 LEU QD 1 63 LEU QD . . 3.370 3.117 2.706 3.470 0.100 2 0 "[ . 1 . 2]" 1
940 1 61 ILE H 1 61 ILE HB . . 3.870 2.548 2.473 2.767 . 0 0 "[ . 1 . 2]" 1
941 1 61 ILE H 1 61 ILE MD . . 3.640 2.583 2.072 2.767 . 0 0 "[ . 1 . 2]" 1
942 1 61 ILE H 1 61 ILE HG12 . . 4.540 3.829 2.217 4.092 . 0 0 "[ . 1 . 2]" 1
943 1 61 ILE H 1 61 ILE QG . . 3.980 2.718 2.200 3.246 . 0 0 "[ . 1 . 2]" 1
944 1 61 ILE H 1 61 ILE HG13 . . 4.540 2.925 2.564 3.714 . 0 0 "[ . 1 . 2]" 1
945 1 61 ILE H 1 61 ILE MG . . 4.120 3.830 3.815 3.849 . 0 0 "[ . 1 . 2]" 1
946 1 61 ILE H 1 63 LEU H . . 4.090 4.239 4.145 4.309 0.219 13 0 "[ . 1 . 2]" 1
947 1 61 ILE H 1 63 LEU QB . . 4.910 4.790 4.684 4.893 . 0 0 "[ . 1 . 2]" 1
948 1 61 ILE HA 1 61 ILE MD . . 4.550 3.537 2.240 3.816 . 0 0 "[ . 1 . 2]" 1
949 1 61 ILE HA 1 61 ILE QG . . 3.720 2.430 2.277 3.268 . 0 0 "[ . 1 . 2]" 1
950 1 61 ILE HA 1 61 ILE MG . . 3.500 2.416 2.377 2.468 . 0 0 "[ . 1 . 2]" 1
951 1 61 ILE HA 1 62 ILE HA . . 5.050 4.852 4.828 4.876 . 0 0 "[ . 1 . 2]" 1
952 1 61 ILE HA 1 62 ILE QG . . 5.340 5.209 5.128 5.486 0.146 4 0 "[ . 1 . 2]" 1
953 1 61 ILE HA 1 63 LEU H . . 5.170 4.519 4.390 4.588 . 0 0 "[ . 1 . 2]" 1
954 1 61 ILE HA 1 64 HIS H . . 4.890 3.419 3.305 3.479 . 0 0 "[ . 1 . 2]" 1
955 1 61 ILE HA 1 64 HIS HA . . 5.500 5.451 5.243 5.599 0.099 17 0 "[ . 1 . 2]" 1
956 1 61 ILE HA 1 64 HIS QB . . 3.940 2.775 2.402 3.008 . 0 0 "[ . 1 . 2]" 1
957 1 61 ILE HB 1 62 ILE H . . 4.250 2.567 2.410 2.660 . 0 0 "[ . 1 . 2]" 1
958 1 61 ILE MD 1 61 ILE MG . . 3.140 2.868 2.210 3.201 0.061 17 0 "[ . 1 . 2]" 1
959 1 61 ILE MD 1 62 ILE H . . 5.150 4.065 3.873 4.491 . 0 0 "[ . 1 . 2]" 1
960 1 61 ILE MD 1 64 HIS QB . . 5.500 5.328 3.647 5.626 0.126 5 0 "[ . 1 . 2]" 1
961 1 61 ILE QG 1 61 ILE MG . . 2.950 2.107 2.044 2.230 . 0 0 "[ . 1 . 2]" 1
962 1 61 ILE QG 1 62 ILE H . . 5.140 4.315 3.740 4.505 . 0 0 "[ . 1 . 2]" 1
963 1 61 ILE QG 1 63 LEU H . . 5.500 5.932 5.787 6.115 0.615 17 4 "[ .* - *. + 2]" 1
964 1 61 ILE QG 1 64 HIS H . . 5.370 5.413 5.256 5.889 0.519 12 1 "[ . 1 + . 2]" 1
965 1 61 ILE HG12 1 61 ILE MG . . 3.630 2.248 2.104 3.175 . 0 0 "[ . 1 . 2]" 1
966 1 61 ILE HG13 1 61 ILE MG . . 3.630 2.873 2.253 3.057 . 0 0 "[ . 1 . 2]" 1
967 1 61 ILE MG 1 63 LEU H . . 4.660 5.048 4.932 5.271 0.611 12 2 "[ . - 1 + . 2]" 1
968 1 61 ILE MG 1 64 HIS H . . 5.050 4.726 4.588 4.800 . 0 0 "[ . 1 . 2]" 1
969 1 62 ILE H 1 62 ILE HB . . 3.890 2.497 2.425 2.643 . 0 0 "[ . 1 . 2]" 1
970 1 62 ILE H 1 62 ILE MD . . 3.860 3.304 3.035 3.471 . 0 0 "[ . 1 . 2]" 1
971 1 62 ILE H 1 62 ILE HG12 . . 4.420 3.491 2.140 3.681 . 0 0 "[ . 1 . 2]" 1
972 1 62 ILE H 1 62 ILE QG . . 3.880 2.192 2.121 2.246 . 0 0 "[ . 1 . 2]" 1
973 1 62 ILE H 1 62 ILE HG13 . . 4.420 2.358 2.136 3.705 . 0 0 "[ . 1 . 2]" 1
974 1 62 ILE H 1 62 ILE MG . . 3.980 3.800 3.779 3.844 . 0 0 "[ . 1 . 2]" 1
975 1 62 ILE H 1 63 LEU H . . 3.510 2.827 2.779 2.895 . 0 0 "[ . 1 . 2]" 1
976 1 62 ILE HA 1 62 ILE MD . . 3.930 3.739 2.167 3.935 0.005 12 0 "[ . 1 . 2]" 1
977 1 62 ILE HA 1 62 ILE HG12 . . 4.030 2.765 2.594 3.263 . 0 0 "[ . 1 . 2]" 1
978 1 62 ILE HA 1 62 ILE QG . . 3.500 2.513 2.394 3.081 . 0 0 "[ . 1 . 2]" 1
979 1 62 ILE HA 1 62 ILE HG13 . . 4.030 2.901 2.743 3.814 . 0 0 "[ . 1 . 2]" 1
980 1 62 ILE HA 1 62 ILE MG . . 3.400 2.420 2.369 2.482 . 0 0 "[ . 1 . 2]" 1
981 1 62 ILE HB 1 62 ILE MD . . 3.620 2.344 2.179 3.293 . 0 0 "[ . 1 . 2]" 1
982 1 62 ILE HB 1 63 LEU H . . 4.210 2.642 2.535 2.787 . 0 0 "[ . 1 . 2]" 1
983 1 62 ILE MD 1 63 LEU H . . 4.960 4.471 4.268 4.819 . 0 0 "[ . 1 . 2]" 1
984 1 62 ILE HG12 1 62 ILE MG . . 3.670 2.418 2.290 3.223 . 0 0 "[ . 1 . 2]" 1
985 1 62 ILE HG13 1 62 ILE MG . . 3.670 3.123 2.251 3.235 . 0 0 "[ . 1 . 2]" 1
986 1 62 ILE MG 1 63 LEU H . . 4.040 3.381 3.315 3.501 . 0 0 "[ . 1 . 2]" 1
987 1 62 ILE MG 1 66 ALA MB . . 4.570 3.059 2.803 3.276 . 0 0 "[ . 1 . 2]" 1
988 1 63 LEU H 1 63 LEU HB2 . . 3.830 2.532 2.133 2.821 . 0 0 "[ . 1 . 2]" 1
989 1 63 LEU H 1 63 LEU QB . . 3.790 2.167 2.113 2.295 . 0 0 "[ . 1 . 2]" 1
990 1 63 LEU H 1 63 LEU HB3 . . 3.830 2.746 2.210 3.570 . 0 0 "[ . 1 . 2]" 1
991 1 63 LEU H 1 63 LEU MD1 . . 4.970 3.976 2.574 4.324 . 0 0 "[ . 1 . 2]" 1
992 1 63 LEU H 1 63 LEU QD . . 3.720 3.505 2.362 3.790 0.070 13 0 "[ . 1 . 2]" 1
993 1 63 LEU H 1 63 LEU MD2 . . 4.970 4.014 2.382 4.204 . 0 0 "[ . 1 . 2]" 1
994 1 63 LEU H 1 63 LEU HG . . 3.980 3.830 2.599 4.310 0.330 7 0 "[ . 1 . 2]" 1
995 1 63 LEU H 1 64 HIS HA . . 5.260 5.487 5.447 5.532 0.272 4 0 "[ . 1 . 2]" 1
996 1 63 LEU HA 1 63 LEU QD . . 3.360 2.289 2.027 2.740 . 0 0 "[ . 1 . 2]" 1
997 1 63 LEU HA 1 63 LEU HG . . 3.870 3.184 2.228 3.661 . 0 0 "[ . 1 . 2]" 1
998 1 63 LEU HA 1 65 SER H . . 4.760 4.768 4.634 4.909 0.149 7 0 "[ . 1 . 2]" 1
999 1 63 LEU HA 1 66 ALA H . . 3.910 3.807 3.639 3.933 0.023 3 0 "[ . 1 . 2]" 1
1000 1 63 LEU HA 1 66 ALA MB . . 3.390 2.850 2.542 3.014 . 0 0 "[ . 1 . 2]" 1
1001 1 63 LEU QB 1 66 ALA H . . 5.500 5.225 5.033 5.321 . 0 0 "[ . 1 . 2]" 1
1002 1 63 LEU HB2 1 64 HIS H . . 4.260 3.448 2.539 4.029 . 0 0 "[ . 1 . 2]" 1
1003 1 63 LEU HB3 1 64 HIS H . . 4.260 2.761 2.530 3.252 . 0 0 "[ . 1 . 2]" 1
1004 1 63 LEU QD 1 64 HIS H . . 4.170 3.733 3.427 4.048 . 0 0 "[ . 1 . 2]" 1
1005 1 63 LEU QD 1 64 HIS HA . . 5.330 4.076 3.351 5.028 . 0 0 "[ . 1 . 2]" 1
1006 1 63 LEU QD 1 66 ALA MB . . 4.130 3.670 3.450 4.124 . 0 0 "[ . 1 . 2]" 1
1007 1 63 LEU HG 1 64 HIS H . . 5.100 3.677 2.703 4.915 . 0 0 "[ . 1 . 2]" 1
1008 1 64 HIS H 1 64 HIS QB . . 3.500 2.196 2.118 2.256 . 0 0 "[ . 1 . 2]" 1
1009 1 64 HIS H 1 65 SER H . . 3.460 2.881 2.804 2.959 . 0 0 "[ . 1 . 2]" 1
1010 1 64 HIS HA 1 66 ALA H . . 4.840 4.818 4.706 4.925 0.085 10 0 "[ . 1 . 2]" 1
1011 1 64 HIS HA 1 67 LEU H . . 4.010 3.716 3.612 3.812 . 0 0 "[ . 1 . 2]" 1
1012 1 64 HIS HA 1 67 LEU HA . . 5.500 5.558 5.468 5.622 0.122 14 0 "[ . 1 . 2]" 1
1013 1 64 HIS HA 1 67 LEU HB2 . . 4.410 3.097 2.551 4.573 0.163 4 0 "[ . 1 . 2]" 1
1014 1 64 HIS HA 1 67 LEU QB . . 3.880 2.691 2.522 3.058 . 0 0 "[ . 1 . 2]" 1
1015 1 64 HIS HA 1 67 LEU HB3 . . 4.410 3.816 2.954 4.181 . 0 0 "[ . 1 . 2]" 1
1016 1 64 HIS HA 1 67 LEU MD1 . . 5.420 3.240 2.552 4.474 . 0 0 "[ . 1 . 2]" 1
1017 1 64 HIS HA 1 67 LEU QD . . 3.880 2.642 2.038 3.080 . 0 0 "[ . 1 . 2]" 1
1018 1 64 HIS HA 1 67 LEU MD2 . . 5.420 4.364 2.042 5.246 . 0 0 "[ . 1 . 2]" 1
1019 1 64 HIS HA 1 67 LEU HG . . 4.560 4.024 3.061 4.538 . 0 0 "[ . 1 . 2]" 1
1020 1 64 HIS QB 1 65 SER H . . 3.940 2.522 2.441 2.610 . 0 0 "[ . 1 . 2]" 1
1021 1 64 HIS QB 1 67 LEU QD . . 5.070 4.119 3.432 4.592 . 0 0 "[ . 1 . 2]" 1
1022 1 64 HIS HD2 1 68 TYR QD . . 3.710 3.382 2.787 3.780 0.070 20 0 "[ . 1 . 2]" 1
1023 1 65 SER H 1 65 SER QB . . 3.710 2.361 2.148 2.690 . 0 0 "[ . 1 . 2]" 1
1024 1 65 SER H 1 66 ALA MB . . 5.240 4.500 4.425 4.619 . 0 0 "[ . 1 . 2]" 1
1025 1 65 SER H 1 67 LEU H . . 4.130 4.285 4.183 4.447 0.317 20 0 "[ . 1 . 2]" 1
1026 1 65 SER HA 1 66 ALA HA . . 4.820 4.824 4.775 4.878 0.058 16 0 "[ . 1 . 2]" 1
1027 1 65 SER HA 1 68 TYR HB2 . . 4.580 3.535 2.917 4.085 . 0 0 "[ . 1 . 2]" 1
1028 1 65 SER HA 1 68 TYR HB3 . . 4.580 3.312 2.907 3.761 . 0 0 "[ . 1 . 2]" 1
1029 1 65 SER QB 1 66 ALA H . . 4.470 2.531 2.335 3.308 . 0 0 "[ . 1 . 2]" 1
1030 1 65 SER QB 1 66 ALA HA . . 4.060 4.016 3.838 4.309 0.249 3 0 "[ . 1 . 2]" 1
1031 1 66 ALA H 1 66 ALA MB . . 3.070 2.205 2.177 2.236 . 0 0 "[ . 1 . 2]" 1
1032 1 66 ALA H 1 67 LEU H . . 3.430 2.812 2.765 2.853 . 0 0 "[ . 1 . 2]" 1
1033 1 66 ALA H 1 67 LEU HG . . 5.500 5.378 4.949 5.787 0.287 20 0 "[ . 1 . 2]" 1
1034 1 66 ALA HA 1 69 PHE H . . 4.440 3.670 3.464 3.930 . 0 0 "[ . 1 . 2]" 1
1035 1 66 ALA HA 1 69 PHE QB . . 4.070 2.670 2.379 3.068 . 0 0 "[ . 1 . 2]" 1
1036 1 66 ALA MB 1 67 LEU H . . 3.360 2.534 2.415 2.620 . 0 0 "[ . 1 . 2]" 1
1037 1 66 ALA MB 1 69 PHE H . . 5.500 4.835 4.672 4.984 . 0 0 "[ . 1 . 2]" 1
1038 1 66 ALA MB 1 69 PHE QB . . 4.300 4.069 3.813 4.339 0.039 4 0 "[ . 1 . 2]" 1
1039 1 67 LEU H 1 67 LEU HB2 . . 3.940 2.556 2.214 3.405 . 0 0 "[ . 1 . 2]" 1
1040 1 67 LEU H 1 67 LEU QB . . 3.420 2.218 2.065 2.330 . 0 0 "[ . 1 . 2]" 1
1041 1 67 LEU H 1 67 LEU HB3 . . 3.940 3.190 2.087 3.584 . 0 0 "[ . 1 . 2]" 1
1042 1 67 LEU H 1 67 LEU MD1 . . 4.700 3.874 3.507 4.380 . 0 0 "[ . 1 . 2]" 1
1043 1 67 LEU H 1 67 LEU QD . . 3.830 3.408 3.232 3.611 . 0 0 "[ . 1 . 2]" 1
1044 1 67 LEU H 1 67 LEU MD2 . . 4.700 3.825 3.669 4.024 . 0 0 "[ . 1 . 2]" 1
1045 1 67 LEU H 1 67 LEU HG . . 4.210 2.986 2.572 3.670 . 0 0 "[ . 1 . 2]" 1
1046 1 67 LEU H 1 69 PHE H . . 4.590 4.388 4.174 4.654 0.064 4 0 "[ . 1 . 2]" 1
1047 1 67 LEU HA 1 67 LEU QD . . 3.160 2.348 2.033 3.010 . 0 0 "[ . 1 . 2]" 1
1048 1 67 LEU HA 1 67 LEU HG . . 3.800 3.048 2.673 3.712 . 0 0 "[ . 1 . 2]" 1
1049 1 67 LEU HA 1 70 LYS H . . 3.970 3.741 3.529 3.890 . 0 0 "[ . 1 . 2]" 1
1050 1 67 LEU HA 1 70 LYS QB . . 3.750 3.416 2.717 4.105 0.355 6 0 "[ . 1 . 2]" 1
1051 1 67 LEU HA 1 70 LYS HD2 . . 5.030 3.924 3.046 5.149 0.119 15 0 "[ . 1 . 2]" 1
1052 1 67 LEU HA 1 70 LYS HD3 . . 5.030 3.388 2.106 4.922 . 0 0 "[ . 1 . 2]" 1
1053 1 67 LEU HA 1 70 LYS QG . . 4.710 3.246 2.025 4.675 . 0 0 "[ . 1 . 2]" 1
1054 1 67 LEU HA 1 71 TYR QB . . 5.340 4.339 4.055 5.093 . 0 0 "[ . 1 . 2]" 1
1055 1 67 LEU QB 1 68 TYR QB . . 4.890 4.004 3.635 4.779 . 0 0 "[ . 1 . 2]" 1
1056 1 67 LEU QB 1 71 TYR QB . . 5.180 4.183 3.847 5.189 0.009 20 0 "[ . 1 . 2]" 1
1057 1 67 LEU QD 1 70 LYS QB . . 4.530 4.275 3.762 4.935 0.405 1 0 "[ . 1 . 2]" 1
1058 1 67 LEU QD 1 70 LYS QD . . 4.140 3.401 2.228 4.496 0.356 20 0 "[ . 1 . 2]" 1
1059 1 67 LEU QD 1 70 LYS QE . . 4.990 3.587 1.939 5.157 0.167 7 0 "[ . 1 . 2]" 1
1060 1 67 LEU QD 1 71 TYR QB . . 4.740 3.648 2.352 4.409 . 0 0 "[ . 1 . 2]" 1
1061 1 68 TYR H 1 68 TYR HB2 . . 4.010 2.208 2.111 2.296 . 0 0 "[ . 1 . 2]" 1
1062 1 68 TYR H 1 68 TYR QB . . 3.480 2.141 2.080 2.176 . 0 0 "[ . 1 . 2]" 1
1063 1 68 TYR H 1 68 TYR HB3 . . 4.010 2.895 2.697 3.143 . 0 0 "[ . 1 . 2]" 1
1064 1 68 TYR H 1 68 TYR QD . . 4.470 3.975 3.704 4.108 . 0 0 "[ . 1 . 2]" 1
1065 1 68 TYR H 1 69 PHE H . . 3.530 2.853 2.812 2.942 . 0 0 "[ . 1 . 2]" 1
1066 1 68 TYR HA 1 68 TYR QD . . 3.720 2.865 2.342 3.099 . 0 0 "[ . 1 . 2]" 1
1067 1 68 TYR HA 1 71 TYR HB2 . . 4.270 3.513 3.135 3.789 . 0 0 "[ . 1 . 2]" 1
1068 1 68 TYR HA 1 71 TYR QB . . 3.550 2.471 2.169 2.855 . 0 0 "[ . 1 . 2]" 1
1069 1 68 TYR HA 1 71 TYR HB3 . . 4.270 2.531 2.189 2.952 . 0 0 "[ . 1 . 2]" 1
1070 1 68 TYR HA 1 71 TYR QD . . 4.400 3.761 2.790 4.353 . 0 0 "[ . 1 . 2]" 1
1071 1 68 TYR HB2 1 69 PHE H . . 4.770 3.618 3.391 3.738 . 0 0 "[ . 1 . 2]" 1
1072 1 68 TYR HB3 1 69 PHE H . . 4.770 2.591 2.374 2.759 . 0 0 "[ . 1 . 2]" 1
1073 1 68 TYR QD 1 69 PHE HA . . 4.770 3.990 3.616 4.582 . 0 0 "[ . 1 . 2]" 1
1074 1 68 TYR QD 1 71 TYR QB . . 4.470 4.144 3.741 4.464 . 0 0 "[ . 1 . 2]" 1
1075 1 68 TYR QD 1 72 LEU QD . . 4.320 2.373 2.143 2.873 . 0 0 "[ . 1 . 2]" 1
1076 1 68 TYR QE 1 71 TYR QB . . 5.340 5.109 4.822 5.393 0.053 12 0 "[ . 1 . 2]" 1
1077 1 68 TYR QE 1 72 LEU QD . . 4.080 2.399 1.951 3.153 . 0 0 "[ . 1 . 2]" 1
1078 1 69 PHE H 1 69 PHE QB . . 3.230 2.246 2.141 2.547 . 0 0 "[ . 1 . 2]" 1
1079 1 69 PHE HA 1 72 LEU QB . . 4.120 3.249 2.654 4.358 0.238 14 0 "[ . 1 . 2]" 1
1080 1 69 PHE HA 1 72 LEU QD . . 3.460 2.883 2.174 3.437 . 0 0 "[ . 1 . 2]" 1
1081 1 69 PHE HA 1 72 LEU HG . . 4.090 3.533 2.109 3.965 . 0 0 "[ . 1 . 2]" 1
1082 1 69 PHE QB 1 70 LYS H . . 3.400 2.481 2.229 2.766 . 0 0 "[ . 1 . 2]" 1
1083 1 69 PHE QB 1 72 LEU HG . . 5.500 5.352 4.230 5.693 0.193 1 0 "[ . 1 . 2]" 1
1084 1 70 LYS H 1 70 LYS HB2 . . 3.990 3.086 2.379 3.714 . 0 0 "[ . 1 . 2]" 1
1085 1 70 LYS H 1 70 LYS QB . . 3.640 2.361 2.105 2.907 . 0 0 "[ . 1 . 2]" 1
1086 1 70 LYS H 1 70 LYS HB3 . . 3.990 2.899 2.126 3.646 . 0 0 "[ . 1 . 2]" 1
1087 1 70 LYS H 1 70 LYS QD . . 3.990 3.779 3.179 4.382 0.392 1 0 "[ . 1 . 2]" 1
1088 1 70 LYS H 1 70 LYS QE . . 5.290 4.762 3.873 5.564 0.274 1 0 "[ . 1 . 2]" 1
1089 1 70 LYS H 1 70 LYS QG . . 3.290 2.605 1.880 3.286 . 0 0 "[ . 1 . 2]" 1
1090 1 70 LYS H 1 71 TYR H . . 3.330 2.777 2.713 2.852 . 0 0 "[ . 1 . 2]" 1
1091 1 70 LYS HA 1 70 LYS HD2 . . 5.180 4.681 4.185 5.294 0.114 6 0 "[ . 1 . 2]" 1
1092 1 70 LYS HA 1 70 LYS QD . . 4.430 4.183 3.526 4.339 . 0 0 "[ . 1 . 2]" 1
1093 1 70 LYS HA 1 70 LYS HD3 . . 5.180 4.773 3.797 5.250 0.070 10 0 "[ . 1 . 2]" 1
1094 1 70 LYS HA 1 70 LYS QE . . 5.170 4.959 4.415 5.297 0.127 8 0 "[ . 1 . 2]" 1
1095 1 70 LYS HA 1 70 LYS QG . . 3.600 2.922 2.353 3.532 . 0 0 "[ . 1 . 2]" 1
1096 1 70 LYS HA 1 72 LEU H . . 4.780 4.419 4.212 4.600 . 0 0 "[ . 1 . 2]" 1
1097 1 70 LYS HA 1 73 LEU H . . 4.520 3.396 3.132 3.538 . 0 0 "[ . 1 . 2]" 1
1098 1 70 LYS HA 1 73 LEU HB2 . . 4.630 4.585 2.351 4.821 0.191 4 0 "[ . 1 . 2]" 1
1099 1 70 LYS HA 1 73 LEU QB . . 3.960 3.279 2.056 3.496 . 0 0 "[ . 1 . 2]" 1
1100 1 70 LYS HA 1 73 LEU HB3 . . 4.630 3.366 2.269 3.588 . 0 0 "[ . 1 . 2]" 1
1101 1 70 LYS HA 1 73 LEU QD . . 3.840 2.132 2.011 2.681 . 0 0 "[ . 1 . 2]" 1
1102 1 70 LYS HA 1 73 LEU HG . . 4.050 2.692 2.310 4.666 0.616 14 1 "[ . 1 +. 2]" 1
1103 1 70 LYS HA 1 74 SER HA . . 5.500 5.537 5.224 5.852 0.352 14 0 "[ . 1 . 2]" 1
1104 1 70 LYS QB 1 70 LYS QD . . 3.190 2.182 2.103 2.508 . 0 0 "[ . 1 . 2]" 1
1105 1 70 LYS QB 1 70 LYS QE . . 4.250 3.216 2.050 3.755 . 0 0 "[ . 1 . 2]" 1
1106 1 70 LYS QB 1 71 TYR H . . 5.410 3.116 2.438 3.644 . 0 0 "[ . 1 . 2]" 1
1107 1 70 LYS QB 1 72 LEU H . . 5.340 5.083 4.675 5.488 0.148 19 0 "[ . 1 . 2]" 1
1108 1 70 LYS HB2 1 70 LYS HD2 . . 4.100 2.837 2.295 3.664 . 0 0 "[ . 1 . 2]" 1
1109 1 70 LYS HB2 1 70 LYS HD3 . . 4.100 3.055 2.189 3.784 . 0 0 "[ . 1 . 2]" 1
1110 1 70 LYS HB2 1 70 LYS QE . . 4.830 3.628 2.129 4.152 . 0 0 "[ . 1 . 2]" 1
1111 1 70 LYS HB2 1 71 TYR H . . 4.570 3.497 2.475 4.248 . 0 0 "[ . 1 . 2]" 1
1112 1 70 LYS HB3 1 70 LYS HD2 . . 4.100 3.162 2.292 4.080 . 0 0 "[ . 1 . 2]" 1
1113 1 70 LYS HB3 1 70 LYS HD3 . . 4.100 2.928 2.312 3.788 . 0 0 "[ . 1 . 2]" 1
1114 1 70 LYS HB3 1 70 LYS QE . . 4.830 3.712 2.503 4.332 . 0 0 "[ . 1 . 2]" 1
1115 1 70 LYS HB3 1 71 TYR H . . 4.570 3.749 3.478 4.184 . 0 0 "[ . 1 . 2]" 1
1116 1 70 LYS QG 1 71 TYR H . . 4.900 3.148 2.228 4.328 . 0 0 "[ . 1 . 2]" 1
1117 1 70 LYS QG 1 73 LEU QD . . 4.280 3.603 2.396 4.753 0.473 14 0 "[ . 1 . 2]" 1
1118 1 71 TYR H 1 71 TYR HB2 . . 3.930 2.524 2.316 2.885 . 0 0 "[ . 1 . 2]" 1
1119 1 71 TYR H 1 71 TYR QB . . 3.320 2.177 2.081 2.260 . 0 0 "[ . 1 . 2]" 1
1120 1 71 TYR H 1 71 TYR HB3 . . 3.930 2.445 2.134 2.656 . 0 0 "[ . 1 . 2]" 1
1121 1 71 TYR H 1 71 TYR QD . . 4.430 4.111 3.866 4.215 . 0 0 "[ . 1 . 2]" 1
1122 1 71 TYR H 1 72 LEU H . . 3.560 2.790 2.685 2.888 . 0 0 "[ . 1 . 2]" 1
1123 1 71 TYR H 1 72 LEU QB . . 4.930 4.824 4.675 5.183 0.253 15 0 "[ . 1 . 2]" 1
1124 1 71 TYR HA 1 71 TYR QD . . 3.740 2.723 2.295 3.107 . 0 0 "[ . 1 . 2]" 1
1125 1 71 TYR HA 1 73 LEU H . . 4.830 4.739 4.406 4.952 0.122 4 0 "[ . 1 . 2]" 1
1126 1 71 TYR QB 1 72 LEU H . . 3.760 2.689 2.561 2.898 . 0 0 "[ . 1 . 2]" 1
1127 1 71 TYR QB 1 72 LEU QD . . 5.340 3.943 3.635 4.517 . 0 0 "[ . 1 . 2]" 1
1128 1 71 TYR QB 1 73 LEU H . . 5.010 4.949 4.649 5.113 0.103 20 0 "[ . 1 . 2]" 1
1129 1 71 TYR QD 1 72 LEU H . . 4.400 3.568 2.587 4.167 . 0 0 "[ . 1 . 2]" 1
1130 1 71 TYR QD 1 72 LEU HA . . 4.420 3.973 3.333 4.507 0.087 18 0 "[ . 1 . 2]" 1
1131 1 71 TYR QD 1 72 LEU QD . . 3.830 3.100 2.425 3.640 . 0 0 "[ . 1 . 2]" 1
1132 1 71 TYR QD 1 72 LEU HG . . 4.980 3.859 3.169 4.707 . 0 0 "[ . 1 . 2]" 1
1133 1 71 TYR QE 1 72 LEU QD . . 4.270 4.080 3.171 4.434 0.164 6 0 "[ . 1 . 2]" 1
1134 1 72 LEU H 1 72 LEU QB . . 3.590 2.429 2.344 2.714 . 0 0 "[ . 1 . 2]" 1
1135 1 72 LEU H 1 72 LEU QD . . 3.720 3.149 2.996 3.287 . 0 0 "[ . 1 . 2]" 1
1136 1 72 LEU H 1 72 LEU HG . . 3.660 2.444 2.078 2.855 . 0 0 "[ . 1 . 2]" 1
1137 1 72 LEU H 1 73 LEU HG . . 5.500 5.339 5.076 6.291 0.791 14 1 "[ . 1 +. 2]" 1
1138 1 72 LEU HA 1 72 LEU QD . . 3.370 2.443 2.087 3.447 0.077 19 0 "[ . 1 . 2]" 1
1139 1 72 LEU HA 1 72 LEU HG . . 4.180 3.292 3.053 3.740 . 0 0 "[ . 1 . 2]" 1
1140 1 72 LEU HA 1 75 ASN H . . 4.380 3.934 3.620 4.233 . 0 0 "[ . 1 . 2]" 1
1141 1 72 LEU HA 1 75 ASN HB2 . . 4.860 4.132 2.768 4.934 0.074 11 0 "[ . 1 . 2]" 1
1142 1 72 LEU HA 1 75 ASN HB3 . . 4.860 4.354 3.554 4.957 0.097 15 0 "[ . 1 . 2]" 1
1143 1 72 LEU QB 1 73 LEU H . . 3.820 2.792 2.373 3.823 0.003 15 0 "[ . 1 . 2]" 1
1144 1 72 LEU HB2 1 73 LEU H . . 4.520 2.962 2.432 4.329 . 0 0 "[ . 1 . 2]" 1
1145 1 72 LEU HB3 1 73 LEU H . . 4.520 3.636 3.310 4.346 . 0 0 "[ . 1 . 2]" 1
1146 1 72 LEU QD 1 73 LEU H . . 5.020 3.773 2.317 4.179 . 0 0 "[ . 1 . 2]" 1
1147 1 72 LEU QD 1 76 TYR QD . . 4.790 4.091 2.238 4.774 . 0 0 "[ . 1 . 2]" 1
1148 1 72 LEU QD 1 76 TYR QE . . 4.150 3.577 2.529 4.157 0.007 11 0 "[ . 1 . 2]" 1
1149 1 73 LEU H 1 73 LEU HB2 . . 3.760 3.431 2.050 3.607 . 0 0 "[ . 1 . 2]" 1
1150 1 73 LEU H 1 73 LEU QB . . 3.360 2.187 2.010 2.335 . 0 0 "[ . 1 . 2]" 1
1151 1 73 LEU H 1 73 LEU HB3 . . 3.760 2.254 2.079 2.891 . 0 0 "[ . 1 . 2]" 1
1152 1 73 LEU H 1 73 LEU MD1 . . 4.430 4.249 3.800 4.380 . 0 0 "[ . 1 . 2]" 1
1153 1 73 LEU H 1 73 LEU QD . . 3.610 3.348 3.284 3.698 0.088 17 0 "[ . 1 . 2]" 1
1154 1 73 LEU H 1 73 LEU MD2 . . 4.430 3.530 3.414 4.424 . 0 0 "[ . 1 . 2]" 1
1155 1 73 LEU H 1 73 LEU HG . . 3.790 3.219 3.046 4.094 0.304 14 0 "[ . 1 . 2]" 1
1156 1 73 LEU HA 1 73 LEU MD1 . . 4.300 3.229 2.587 3.587 . 0 0 "[ . 1 . 2]" 1
1157 1 73 LEU HA 1 73 LEU QD . . 3.050 3.098 2.560 3.184 0.134 5 0 "[ . 1 . 2]" 1
1158 1 73 LEU HA 1 73 LEU MD2 . . 4.300 4.118 3.056 4.206 . 0 0 "[ . 1 . 2]" 1
1159 1 73 LEU HA 1 74 SER HA . . 5.100 4.916 4.833 4.978 . 0 0 "[ . 1 . 2]" 1
1160 1 73 LEU HA 1 76 TYR HB2 . . 4.480 2.353 2.102 2.790 . 0 0 "[ . 1 . 2]" 1
1161 1 73 LEU HA 1 76 TYR QB . . 3.920 2.332 2.068 2.759 . 0 0 "[ . 1 . 2]" 1
1162 1 73 LEU HA 1 76 TYR HB3 . . 4.480 3.867 3.025 4.351 . 0 0 "[ . 1 . 2]" 1
1163 1 73 LEU HA 1 77 SER H . . 5.410 4.181 3.439 5.364 . 0 0 "[ . 1 . 2]" 1
1164 1 73 LEU QB 1 73 LEU QD . . 2.790 1.918 1.874 1.958 . 0 0 "[ . 1 . 2]" 1
1165 1 73 LEU QB 1 74 SER H . . 3.520 3.473 2.232 3.629 0.109 6 0 "[ . 1 . 2]" 1
1166 1 73 LEU QB 1 74 SER HA . . 5.340 4.854 4.032 4.967 . 0 0 "[ . 1 . 2]" 1
1167 1 73 LEU QB 1 76 TYR QB . . 4.470 3.661 3.285 4.256 . 0 0 "[ . 1 . 2]" 1
1168 1 73 LEU QD 1 74 SER H . . 4.130 3.306 3.227 3.520 . 0 0 "[ . 1 . 2]" 1
1169 1 73 LEU QD 1 76 TYR QB . . 4.290 3.714 3.255 4.127 . 0 0 "[ . 1 . 2]" 1
1170 1 73 LEU QD 1 76 TYR QD . . 4.740 4.731 4.538 4.922 0.182 11 0 "[ . 1 . 2]" 1
1171 1 73 LEU QD 1 77 SER QB . . 5.280 3.576 2.038 5.473 0.193 11 0 "[ . 1 . 2]" 1
1172 1 73 LEU MD1 1 74 SER H . . 4.740 3.574 3.443 4.455 . 0 0 "[ . 1 . 2]" 1
1173 1 73 LEU MD2 1 74 SER H . . 4.740 3.950 3.629 4.070 . 0 0 "[ . 1 . 2]" 1
1174 1 73 LEU HG 1 74 SER H . . 5.080 2.538 2.312 4.747 . 0 0 "[ . 1 . 2]" 1
1175 1 73 LEU HG 1 74 SER HA . . 5.080 3.643 3.181 5.819 0.739 14 1 "[ . 1 +. 2]" 1
1176 1 74 SER H 1 74 SER QB . . 3.120 2.309 2.175 2.686 . 0 0 "[ . 1 . 2]" 1
1177 1 74 SER H 1 75 ASN HA . . 5.430 5.527 5.369 5.634 0.204 11 0 "[ . 1 . 2]" 1
1178 1 74 SER QB 1 75 ASN H . . 3.500 2.874 2.289 3.575 0.075 14 0 "[ . 1 . 2]" 1
1179 1 75 ASN H 1 75 ASN HB2 . . 3.990 2.375 2.116 2.752 . 0 0 "[ . 1 . 2]" 1
1180 1 75 ASN H 1 75 ASN QB . . 3.190 2.237 2.090 2.422 . 0 0 "[ . 1 . 2]" 1
1181 1 75 ASN H 1 75 ASN HB3 . . 3.990 2.928 2.556 3.566 . 0 0 "[ . 1 . 2]" 1
1182 1 75 ASN QB 1 76 TYR H . . 3.820 2.854 2.509 3.707 . 0 0 "[ . 1 . 2]" 1
1183 1 75 ASN HB2 1 76 TYR H . . 4.350 3.727 3.091 4.147 . 0 0 "[ . 1 . 2]" 1
1184 1 75 ASN HB3 1 76 TYR H . . 4.350 3.053 2.544 4.376 0.026 14 0 "[ . 1 . 2]" 1
1185 1 76 TYR H 1 76 TYR HB2 . . 3.610 2.290 2.070 2.440 . 0 0 "[ . 1 . 2]" 1
1186 1 76 TYR H 1 76 TYR QB . . 2.900 2.257 2.043 2.403 . 0 0 "[ . 1 . 2]" 1
1187 1 76 TYR H 1 76 TYR HB3 . . 3.610 3.467 2.818 3.615 0.005 2 0 "[ . 1 . 2]" 1
1188 1 76 TYR H 1 76 TYR QD . . 4.090 3.307 2.672 4.053 . 0 0 "[ . 1 . 2]" 1
1189 1 76 TYR HA 1 76 TYR QD . . 3.560 2.381 2.192 2.922 . 0 0 "[ . 1 . 2]" 1
1190 1 76 TYR QB 1 77 SER QB . . 3.990 3.536 3.163 4.078 0.088 9 0 "[ . 1 . 2]" 1
1191 1 76 TYR HB2 1 77 SER H . . 3.650 2.863 2.304 3.681 0.031 11 0 "[ . 1 . 2]" 1
1192 1 76 TYR HB3 1 77 SER H . . 3.650 3.160 2.311 3.736 0.086 7 0 "[ . 1 . 2]" 1
1193 1 77 SER H 1 77 SER HB2 . . 4.140 3.023 2.303 3.944 . 0 0 "[ . 1 . 2]" 1
1194 1 77 SER H 1 77 SER QB . . 3.150 2.640 2.225 3.143 . 0 0 "[ . 1 . 2]" 1
1195 1 77 SER H 1 77 SER HB3 . . 4.140 3.098 2.512 3.786 . 0 0 "[ . 1 . 2]" 1
1196 1 77 SER H 1 78 SER H . . 4.410 3.998 2.804 4.424 0.014 6 0 "[ . 1 . 2]" 1
1197 1 77 SER HA 1 78 SER H . . 3.520 2.391 2.097 3.618 0.098 9 0 "[ . 1 . 2]" 1
1198 1 77 SER HA 1 78 SER QB . . 4.700 4.339 3.872 4.790 0.090 7 0 "[ . 1 . 2]" 1
1199 1 78 SER H 1 78 SER QB . . 3.330 2.569 2.248 3.359 0.029 16 0 "[ . 1 . 2]" 1
1200 1 78 SER HA 1 79 VAL H . . 2.990 2.568 2.108 3.193 0.203 11 0 "[ . 1 . 2]" 1
1201 1 78 SER QB 1 79 VAL H . . 3.800 3.490 2.459 3.961 0.161 8 0 "[ . 1 . 2]" 1
1202 1 78 SER QB 1 79 VAL QG . . 4.740 3.879 3.099 4.622 . 0 0 "[ . 1 . 2]" 1
1203 1 79 VAL H 1 79 VAL HB . . 3.800 3.493 2.839 3.896 0.096 7 0 "[ . 1 . 2]" 1
1204 1 79 VAL H 1 79 VAL QG . . 3.110 2.549 2.301 2.976 . 0 0 "[ . 1 . 2]" 1
1205 1 79 VAL H 1 80 THR H . . 3.770 3.920 3.605 4.069 0.299 2 0 "[ . 1 . 2]" 1
1206 1 79 VAL H 1 80 THR HA . . 4.440 4.641 4.475 4.822 0.382 13 0 "[ . 1 . 2]" 1
1207 1 79 VAL HB 1 80 THR H . . 4.630 4.097 3.434 4.532 . 0 0 "[ . 1 . 2]" 1
1208 1 79 VAL QG 1 80 THR H . . 3.540 3.199 2.641 3.734 0.194 19 0 "[ . 1 . 2]" 1
1209 1 80 THR H 1 80 THR HB . . 2.550 2.545 2.448 2.684 0.134 5 0 "[ . 1 . 2]" 1
1210 1 80 THR H 1 80 THR MG . . 3.920 3.324 2.058 3.912 . 0 0 "[ . 1 . 2]" 1
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