NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
495907 |
2l4d   |
17236 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l4d
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 1037
_Distance_constraint_stats_list.Viol_count 1305
_Distance_constraint_stats_list.Viol_total 1046.566
_Distance_constraint_stats_list.Viol_max 0.575
_Distance_constraint_stats_list.Viol_rms 0.0150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0401
_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 6 GLY 1.446 0.100 14 0 "[ . 1 . 2]"
1 7 GLU 0.206 0.125 11 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 1.960 0.405 2 0 "[ . 1 . 2]"
1 10 PHE 0.025 0.015 5 0 "[ . 1 . 2]"
1 11 ARG 0.694 0.125 11 0 "[ . 1 . 2]"
1 12 THR 0.950 0.097 6 0 "[ . 1 . 2]"
1 13 ARG 2.774 0.405 2 0 "[ . 1 . 2]"
1 15 SER 0.756 0.102 11 0 "[ . 1 . 2]"
1 18 HIS 2.089 0.125 10 0 "[ . 1 . 2]"
1 19 THR 2.468 0.149 16 0 "[ . 1 . 2]"
1 20 VAL 1.136 0.084 19 0 "[ . 1 . 2]"
1 21 GLY 1.364 0.117 11 0 "[ . 1 . 2]"
1 22 ASN 0.582 0.149 16 0 "[ . 1 . 2]"
1 23 THR 0.405 0.083 17 0 "[ . 1 . 2]"
1 24 GLU 0.017 0.009 7 0 "[ . 1 . 2]"
1 25 PRO 0.009 0.009 7 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 0.491 0.090 5 0 "[ . 1 . 2]"
1 29 GLY 0.287 0.090 5 0 "[ . 1 . 2]"
1 30 ILE 0.529 0.073 11 0 "[ . 1 . 2]"
1 31 GLY 0.332 0.063 6 0 "[ . 1 . 2]"
1 33 ASP 0.056 0.030 3 0 "[ . 1 . 2]"
1 34 LEU 1.461 0.117 11 0 "[ . 1 . 2]"
1 35 LEU 2.549 0.130 20 0 "[ . 1 . 2]"
1 36 GLY 2.720 0.235 14 0 "[ . 1 . 2]"
1 37 VAL 0.339 0.088 8 0 "[ . 1 . 2]"
1 38 THR 0.400 0.070 20 0 "[ . 1 . 2]"
1 39 ARG 1.458 0.235 14 0 "[ . 1 . 2]"
1 40 GLN 0.329 0.091 11 0 "[ . 1 . 2]"
1 41 ARG 2.699 0.575 19 1 "[ . 1 . +2]"
1 42 ASP 0.585 0.093 11 0 "[ . 1 . 2]"
1 43 ALA 0.436 0.036 10 0 "[ . 1 . 2]"
1 44 ASN 0.415 0.217 14 0 "[ . 1 . 2]"
1 45 TRP 0.768 0.133 16 0 "[ . 1 . 2]"
1 46 LEU 0.047 0.026 10 0 "[ . 1 . 2]"
1 47 VAL 1.919 0.217 14 0 "[ . 1 . 2]"
1 48 ARG 1.162 0.133 16 0 "[ . 1 . 2]"
1 49 TRP 0.511 0.043 6 0 "[ . 1 . 2]"
1 50 LEU 0.864 0.046 18 0 "[ . 1 . 2]"
1 51 LYS 0.543 0.084 3 0 "[ . 1 . 2]"
1 52 VAL 0.853 0.048 1 0 "[ . 1 . 2]"
1 53 PRO 0.174 0.043 10 0 "[ . 1 . 2]"
1 54 ASP 0.091 0.032 19 0 "[ . 1 . 2]"
1 55 GLN 0.436 0.052 20 0 "[ . 1 . 2]"
1 56 MET 1.852 0.108 14 0 "[ . 1 . 2]"
1 57 LEU 1.036 0.068 13 0 "[ . 1 . 2]"
1 58 ALA 0.097 0.068 13 0 "[ . 1 . 2]"
1 59 GLU 1.108 0.108 14 0 "[ . 1 . 2]"
1 60 LYS 0.065 0.043 13 0 "[ . 1 . 2]"
1 61 ASP 4.191 0.124 3 0 "[ . 1 . 2]"
1 62 PRO 5.782 0.124 3 0 "[ . 1 . 2]"
1 63 LEU 2.524 0.493 3 0 "[ . 1 . 2]"
1 64 ALA 2.195 0.094 1 0 "[ . 1 . 2]"
1 65 MET 1.874 0.064 15 0 "[ . 1 . 2]"
1 66 LEU 2.333 0.104 17 0 "[ . 1 . 2]"
1 67 LEU 2.636 0.104 10 0 "[ . 1 . 2]"
1 68 PHE 2.963 0.534 14 1 "[ . 1 +. 2]"
1 69 GLU 0.859 0.131 4 0 "[ . 1 . 2]"
1 70 GLN 1.188 0.087 20 0 "[ . 1 . 2]"
1 71 TYR 1.853 0.575 19 1 "[ . 1 . +2]"
1 72 ASN 0.035 0.017 16 0 "[ . 1 . 2]"
1 73 ARG 2.216 0.534 14 1 "[ . 1 +. 2]"
1 74 LEU 0.182 0.030 20 0 "[ . 1 . 2]"
1 75 ALA 0.348 0.037 5 0 "[ . 1 . 2]"
1 76 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASN 0.707 0.074 18 0 "[ . 1 . 2]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ARG 0.460 0.101 18 0 "[ . 1 . 2]"
1 81 LEU 0.301 0.192 16 0 "[ . 1 . 2]"
1 82 GLY 0.006 0.006 8 0 "[ . 1 . 2]"
1 83 ASP 0.048 0.034 4 0 "[ . 1 . 2]"
1 84 ALA 0.007 0.007 4 0 "[ . 1 . 2]"
1 85 GLU 0.586 0.105 8 0 "[ . 1 . 2]"
1 86 VAL 0.292 0.047 17 0 "[ . 1 . 2]"
1 87 SER 0.271 0.029 12 0 "[ . 1 . 2]"
1 88 ALA 0.006 0.006 19 0 "[ . 1 . 2]"
1 89 LEU 0.099 0.030 5 0 "[ . 1 . 2]"
1 90 ILE 2.412 0.104 15 0 "[ . 1 . 2]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 2.281 0.104 15 0 "[ . 1 . 2]"
1 93 LEU 0.422 0.104 14 0 "[ . 1 . 2]"
1 94 GLU 0.486 0.070 20 0 "[ . 1 . 2]"
1 95 GLU 0.195 0.061 11 0 "[ . 1 . 2]"
1 96 GLU 0.039 0.037 11 0 "[ . 1 . 2]"
1 97 THR 0.504 0.083 2 0 "[ . 1 . 2]"
1 98 ALA 0.385 0.083 2 0 "[ . 1 . 2]"
1 99 ARG 0.220 0.102 4 0 "[ . 1 . 2]"
1 100 LEU 3.825 0.111 17 0 "[ . 1 . 2]"
1 101 GLN 0.295 0.102 4 0 "[ . 1 . 2]"
1 102 THR 0.841 0.074 13 0 "[ . 1 . 2]"
1 103 PRO 0.080 0.043 3 0 "[ . 1 . 2]"
1 104 VAL 0.790 0.074 13 0 "[ . 1 . 2]"
1 105 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ILE 0.295 0.129 7 0 "[ . 1 . 2]"
1 110 PRO 0.107 0.061 16 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 6 GLY H 1 7 GLU H . . 4.840 2.944 1.773 3.673 . 0 0 "[ . 1 . 2]" 1
2 1 6 GLY QA 1 9 ILE HB . . 3.570 2.789 2.471 3.355 . 0 0 "[ . 1 . 2]" 1
3 1 6 GLY QA 1 9 ILE MD . . 3.840 2.550 2.229 3.154 . 0 0 "[ . 1 . 2]" 1
4 1 6 GLY QA 1 88 ALA MB . . 3.640 2.639 2.209 3.474 . 0 0 "[ . 1 . 2]" 1
5 1 6 GLY QA 1 89 LEU QD . . 3.510 2.943 2.138 3.509 . 0 0 "[ . 1 . 2]" 1
6 1 6 GLY QA 1 92 TYR QB . . 4.060 2.065 1.958 2.520 . 0 0 "[ . 1 . 2]" 1
7 1 6 GLY HA2 1 9 ILE H . . 4.820 3.566 3.170 4.347 . 0 0 "[ . 1 . 2]" 1
8 1 6 GLY HA2 1 9 ILE HB . . 4.100 2.854 2.501 3.553 . 0 0 "[ . 1 . 2]" 1
9 1 6 GLY HA2 1 9 ILE MD . . 4.700 2.589 2.248 3.245 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLY HA2 1 88 ALA MB . . 4.240 2.778 2.253 4.049 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLY HA2 1 92 TYR H . . 4.670 4.718 4.687 4.767 0.097 11 0 "[ . 1 . 2]" 1
12 1 6 GLY HA3 1 9 ILE H . . 4.820 4.634 4.452 4.844 0.024 18 0 "[ . 1 . 2]" 1
13 1 6 GLY HA3 1 9 ILE HB . . 4.100 4.074 3.757 4.200 0.100 14 0 "[ . 1 . 2]" 1
14 1 6 GLY HA3 1 9 ILE MD . . 4.700 3.912 3.503 4.514 . 0 0 "[ . 1 . 2]" 1
15 1 6 GLY HA3 1 88 ALA MB . . 4.240 3.389 2.951 3.781 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLY HA3 1 92 TYR H . . 4.670 3.382 3.111 4.416 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLU H 1 7 GLU HB2 . . 4.110 2.566 2.312 3.566 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLU H 1 7 GLU QB . . 3.540 2.238 2.141 2.365 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLU H 1 7 GLU HB3 . . 4.110 2.553 2.323 2.744 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLU H 1 7 GLU QG . . 4.120 3.916 3.209 4.072 . 0 0 "[ . 1 . 2]" 1
21 1 7 GLU H 1 8 GLN H . . 4.160 2.891 2.582 3.173 . 0 0 "[ . 1 . 2]" 1
22 1 7 GLU HA 1 10 PHE QB . . 4.060 2.683 2.397 3.477 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLU HA 1 11 ARG H . . 4.940 4.007 3.731 4.428 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLU HA 1 92 TYR QD . . 5.520 3.356 2.916 3.870 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU QB 1 8 GLN H . . 4.260 2.672 2.290 3.457 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU HG2 1 11 ARG QD . . 5.760 4.589 3.865 5.240 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU HG3 1 11 ARG QD . . 5.760 5.260 3.886 5.885 0.125 11 0 "[ . 1 . 2]" 1
28 1 8 GLN H 1 8 GLN QB . . 3.540 2.336 2.104 2.549 . 0 0 "[ . 1 . 2]" 1
29 1 8 GLN H 1 8 GLN HG2 . . 5.350 3.716 2.337 4.617 . 0 0 "[ . 1 . 2]" 1
30 1 8 GLN H 1 8 GLN HG3 . . 5.350 3.484 2.060 4.500 . 0 0 "[ . 1 . 2]" 1
31 1 8 GLN H 1 9 ILE H . . 4.460 2.654 2.444 2.814 . 0 0 "[ . 1 . 2]" 1
32 1 8 GLN H 1 10 PHE H . . 5.360 4.282 4.089 4.531 . 0 0 "[ . 1 . 2]" 1
33 1 8 GLN H 1 11 ARG H . . 5.760 4.775 4.627 5.019 . 0 0 "[ . 1 . 2]" 1
34 1 8 GLN HA 1 8 GLN QG . . 3.650 2.579 2.209 3.099 . 0 0 "[ . 1 . 2]" 1
35 1 8 GLN HA 1 11 ARG H . . 4.180 3.435 2.881 3.795 . 0 0 "[ . 1 . 2]" 1
36 1 8 GLN QB 1 9 ILE H . . 4.280 2.853 2.592 3.332 . 0 0 "[ . 1 . 2]" 1
37 1 8 GLN QG 1 9 ILE H . . 5.340 4.156 3.732 4.525 . 0 0 "[ . 1 . 2]" 1
38 1 9 ILE H 1 9 ILE MD . . 3.830 3.545 2.337 3.808 . 0 0 "[ . 1 . 2]" 1
39 1 9 ILE H 1 9 ILE HG12 . . 4.740 3.518 3.212 4.010 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE H 1 9 ILE QG . . 4.010 2.283 2.051 3.530 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE H 1 9 ILE HG13 . . 4.740 2.327 2.072 3.919 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE H 1 9 ILE MG . . 4.180 3.810 3.757 3.842 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE H 1 10 PHE H . . 4.430 2.644 2.324 2.838 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE H 1 11 ARG H . . 5.760 4.122 3.895 4.522 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE HA 1 9 ILE MD . . 4.250 3.839 2.747 3.978 . 0 0 "[ . 1 . 2]" 1
46 1 9 ILE HA 1 9 ILE QG . . 3.670 2.459 2.309 2.576 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE HA 1 12 THR H . . 4.940 3.488 3.279 3.776 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE HA 1 12 THR HB . . 4.710 4.702 4.508 4.801 0.091 10 0 "[ . 1 . 2]" 1
49 1 9 ILE HA 1 13 ARG QG . . 4.400 3.548 3.079 4.805 0.405 2 0 "[ . 1 . 2]" 1
50 1 9 ILE HB 1 9 ILE MD . . 3.400 2.408 2.314 2.545 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE HB 1 10 PHE H . . 4.370 2.656 2.472 2.849 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE HB 1 89 LEU QD . . 3.760 2.616 2.236 3.154 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE MD 1 9 ILE MG . . 3.530 2.160 2.072 3.281 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE MD 1 10 PHE H . . 5.760 4.581 4.255 4.822 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE MD 1 85 GLU HA . . 3.800 2.589 2.113 3.571 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE MD 1 85 GLU HG2 . . 4.360 3.407 2.320 4.385 0.025 19 0 "[ . 1 . 2]" 1
57 1 9 ILE MD 1 85 GLU HG3 . . 4.360 3.305 2.172 4.381 0.021 5 0 "[ . 1 . 2]" 1
58 1 9 ILE MD 1 88 ALA MB . . 3.690 2.239 1.985 3.111 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE QG 1 10 PHE H . . 5.590 4.110 3.928 4.616 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE MG 1 10 PHE H . . 4.520 3.460 3.200 3.746 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE MG 1 10 PHE HA . . 4.520 3.631 3.174 3.940 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE MG 1 13 ARG HD2 . . 5.070 3.804 2.275 5.215 0.145 2 0 "[ . 1 . 2]" 1
63 1 9 ILE MG 1 13 ARG QD . . 4.280 3.304 2.255 4.330 0.050 13 0 "[ . 1 . 2]" 1
64 1 9 ILE MG 1 13 ARG HD3 . . 5.070 3.976 2.678 4.996 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE MG 1 89 LEU QD . . 3.730 2.119 1.936 2.580 . 0 0 "[ . 1 . 2]" 1
66 1 10 PHE H 1 10 PHE HB2 . . 4.190 2.526 2.382 2.899 . 0 0 "[ . 1 . 2]" 1
67 1 10 PHE H 1 10 PHE QB . . 3.680 2.234 2.115 2.307 . 0 0 "[ . 1 . 2]" 1
68 1 10 PHE H 1 10 PHE HB3 . . 4.190 2.530 2.173 2.737 . 0 0 "[ . 1 . 2]" 1
69 1 10 PHE H 1 10 PHE QD . . 5.280 4.197 4.035 4.262 . 0 0 "[ . 1 . 2]" 1
70 1 10 PHE H 1 11 ARG H . . 4.420 2.840 2.731 3.109 . 0 0 "[ . 1 . 2]" 1
71 1 10 PHE H 1 11 ARG QB . . 5.590 4.472 4.297 4.742 . 0 0 "[ . 1 . 2]" 1
72 1 10 PHE H 1 89 LEU QD . . 4.100 2.828 2.511 3.357 . 0 0 "[ . 1 . 2]" 1
73 1 10 PHE HA 1 15 SER H . . 4.910 4.424 3.968 4.921 0.011 13 0 "[ . 1 . 2]" 1
74 1 10 PHE HA 1 89 LEU QD . . 3.910 2.770 2.415 3.252 . 0 0 "[ . 1 . 2]" 1
75 1 10 PHE QB 1 11 ARG H . . 3.860 2.576 2.414 2.735 . 0 0 "[ . 1 . 2]" 1
76 1 10 PHE QB 1 89 LEU QD . . 3.880 2.356 2.122 2.866 . 0 0 "[ . 1 . 2]" 1
77 1 10 PHE HB2 1 11 ARG H . . 4.410 3.905 3.765 4.027 . 0 0 "[ . 1 . 2]" 1
78 1 10 PHE HB3 1 11 ARG H . . 4.410 2.613 2.443 2.783 . 0 0 "[ . 1 . 2]" 1
79 1 10 PHE QD 1 11 ARG H . . 5.280 3.401 2.900 3.756 . 0 0 "[ . 1 . 2]" 1
80 1 10 PHE QD 1 89 LEU QD . . 4.300 2.665 2.171 4.315 0.015 5 0 "[ . 1 . 2]" 1
81 1 10 PHE QD 1 93 LEU QD . . 5.440 3.830 2.871 5.189 . 0 0 "[ . 1 . 2]" 1
82 1 11 ARG H 1 11 ARG HB2 . . 2.730 2.312 2.155 2.441 . 0 0 "[ . 1 . 2]" 1
83 1 11 ARG H 1 11 ARG HB3 . . 2.730 2.594 2.314 2.796 0.066 10 0 "[ . 1 . 2]" 1
84 1 11 ARG H 1 11 ARG QD . . 5.660 4.214 3.887 4.682 . 0 0 "[ . 1 . 2]" 1
85 1 11 ARG H 1 11 ARG HG2 . . 4.840 4.521 4.397 4.626 . 0 0 "[ . 1 . 2]" 1
86 1 11 ARG H 1 11 ARG HG3 . . 4.840 4.439 4.284 4.566 . 0 0 "[ . 1 . 2]" 1
87 1 11 ARG H 1 12 THR H . . 4.370 2.823 2.734 2.937 . 0 0 "[ . 1 . 2]" 1
88 1 11 ARG H 1 13 ARG H . . 5.630 4.469 4.287 4.647 . 0 0 "[ . 1 . 2]" 1
89 1 11 ARG HA 1 11 ARG QD . . 4.500 3.289 2.027 4.197 . 0 0 "[ . 1 . 2]" 1
90 1 11 ARG HA 1 11 ARG QG . . 3.720 2.585 2.230 3.105 . 0 0 "[ . 1 . 2]" 1
91 1 11 ARG HA 1 15 SER HB2 . . 3.920 3.049 2.029 3.963 0.043 5 0 "[ . 1 . 2]" 1
92 1 11 ARG HA 1 15 SER HB3 . . 3.920 3.292 2.346 4.022 0.102 11 0 "[ . 1 . 2]" 1
93 1 11 ARG QB 1 12 THR H . . 3.830 2.903 2.396 3.183 . 0 0 "[ . 1 . 2]" 1
94 1 11 ARG QB 1 12 THR MG . . 3.410 3.009 2.665 3.507 0.097 6 0 "[ . 1 . 2]" 1
95 1 12 THR H 1 12 THR HB . . 3.960 3.664 2.848 3.793 . 0 0 "[ . 1 . 2]" 1
96 1 12 THR H 1 12 THR MG . . 3.660 2.724 2.172 2.941 . 0 0 "[ . 1 . 2]" 1
97 1 12 THR H 1 13 ARG H . . 4.310 2.398 2.141 2.668 . 0 0 "[ . 1 . 2]" 1
98 1 12 THR HA 1 12 THR MG . . 3.290 2.372 2.258 3.268 . 0 0 "[ . 1 . 2]" 1
99 1 12 THR HA 1 15 SER H . . 5.170 5.147 4.775 5.234 0.064 11 0 "[ . 1 . 2]" 1
100 1 12 THR HB 1 13 ARG H . . 4.380 3.858 3.576 4.137 . 0 0 "[ . 1 . 2]" 1
101 1 13 ARG H 1 13 ARG HG2 . . 4.430 3.347 2.534 4.519 0.089 10 0 "[ . 1 . 2]" 1
102 1 13 ARG H 1 13 ARG QG . . 3.810 2.835 2.398 4.034 0.224 2 0 "[ . 1 . 2]" 1
103 1 13 ARG H 1 13 ARG HG3 . . 4.430 3.488 2.439 4.541 0.111 2 0 "[ . 1 . 2]" 1
104 1 13 ARG H 1 15 SER H . . 5.150 4.080 3.756 4.487 . 0 0 "[ . 1 . 2]" 1
105 1 13 ARG HA 1 13 ARG HD2 . . 4.680 3.973 2.379 4.800 0.120 15 0 "[ . 1 . 2]" 1
106 1 13 ARG HA 1 13 ARG QD . . 4.120 3.328 2.110 4.167 0.047 3 0 "[ . 1 . 2]" 1
107 1 13 ARG HA 1 13 ARG HD3 . . 4.680 3.666 2.152 5.060 0.380 16 0 "[ . 1 . 2]" 1
108 1 13 ARG HA 1 13 ARG HG2 . . 4.170 3.012 2.321 3.851 . 0 0 "[ . 1 . 2]" 1
109 1 13 ARG HA 1 13 ARG QG . . 3.620 2.800 2.242 3.579 . 0 0 "[ . 1 . 2]" 1
110 1 13 ARG HA 1 13 ARG HG3 . . 4.170 3.505 2.754 4.250 0.080 1 0 "[ . 1 . 2]" 1
111 1 13 ARG QD 1 81 LEU QD . . 4.510 3.142 2.126 4.702 0.192 16 0 "[ . 1 . 2]" 1
112 1 15 SER HA 1 18 HIS H . . 4.270 3.392 2.773 4.003 . 0 0 "[ . 1 . 2]" 1
113 1 18 HIS H 1 18 HIS HD2 . . 5.280 4.341 2.804 5.293 0.013 17 0 "[ . 1 . 2]" 1
114 1 18 HIS H 1 19 THR H . . 5.280 4.366 4.312 4.456 . 0 0 "[ . 1 . 2]" 1
115 1 18 HIS HA 1 18 HIS HD2 . . 5.070 4.386 3.150 4.686 . 0 0 "[ . 1 . 2]" 1
116 1 18 HIS HA 1 33 ASP HA . . 5.280 4.648 3.824 5.310 0.030 3 0 "[ . 1 . 2]" 1
117 1 18 HIS HA 1 34 LEU QD . . 5.230 4.210 3.776 4.713 . 0 0 "[ . 1 . 2]" 1
118 1 18 HIS HA 1 34 LEU HG . . 5.280 4.678 4.286 5.127 . 0 0 "[ . 1 . 2]" 1
119 1 18 HIS QB 1 20 VAL QG . . 3.990 3.930 3.583 4.039 0.049 12 0 "[ . 1 . 2]" 1
120 1 18 HIS QB 1 34 LEU QD . . 4.560 2.343 2.001 2.729 . 0 0 "[ . 1 . 2]" 1
121 1 18 HIS HD1 1 19 THR H . . 5.280 3.803 2.711 5.332 0.052 16 0 "[ . 1 . 2]" 1
122 1 18 HIS HD1 1 34 LEU MD1 . . 5.280 3.708 3.101 4.412 . 0 0 "[ . 1 . 2]" 1
123 1 18 HIS HD1 1 34 LEU MD2 . . 5.280 3.710 2.685 5.281 0.001 17 0 "[ . 1 . 2]" 1
124 1 18 HIS HD2 1 19 THR H . . 5.200 5.244 4.442 5.325 0.125 10 0 "[ . 1 . 2]" 1
125 1 18 HIS HD2 1 34 LEU QD . . 5.230 2.914 2.225 3.672 . 0 0 "[ . 1 . 2]" 1
126 1 19 THR H 1 19 THR MG . . 3.620 3.300 2.294 3.644 0.024 16 0 "[ . 1 . 2]" 1
127 1 19 THR H 1 20 VAL H . . 5.280 4.373 4.221 4.483 . 0 0 "[ . 1 . 2]" 1
128 1 19 THR H 1 33 ASP HA . . 4.170 3.093 2.427 3.795 . 0 0 "[ . 1 . 2]" 1
129 1 19 THR H 1 34 LEU H . . 5.280 3.884 3.570 4.871 . 0 0 "[ . 1 . 2]" 1
130 1 19 THR HA 1 19 THR MG . . 3.270 2.460 2.222 3.258 . 0 0 "[ . 1 . 2]" 1
131 1 19 THR HA 1 20 VAL H . . 3.330 2.371 2.122 2.517 . 0 0 "[ . 1 . 2]" 1
132 1 19 THR HA 1 20 VAL QG . . 4.620 3.481 2.892 3.749 . 0 0 "[ . 1 . 2]" 1
133 1 19 THR HB 1 20 VAL H . . 4.060 2.735 2.190 4.036 . 0 0 "[ . 1 . 2]" 1
134 1 19 THR HB 1 22 ASN H . . 5.000 3.022 2.196 5.030 0.030 18 0 "[ . 1 . 2]" 1
135 1 19 THR HB 1 22 ASN HB2 . . 4.490 3.409 2.180 4.518 0.028 18 0 "[ . 1 . 2]" 1
136 1 19 THR HB 1 22 ASN QB . . 3.950 2.717 2.165 3.958 0.008 16 0 "[ . 1 . 2]" 1
137 1 19 THR HB 1 22 ASN HB3 . . 4.490 3.411 2.181 4.639 0.149 16 0 "[ . 1 . 2]" 1
138 1 19 THR MG 1 20 VAL H . . 3.770 3.623 3.005 3.781 0.011 20 0 "[ . 1 . 2]" 1
139 1 19 THR MG 1 22 ASN H . . 5.760 3.876 2.277 4.957 . 0 0 "[ . 1 . 2]" 1
140 1 19 THR MG 1 22 ASN HB2 . . 4.330 3.521 2.266 4.343 0.013 20 0 "[ . 1 . 2]" 1
141 1 19 THR MG 1 22 ASN HB3 . . 4.330 3.171 2.181 4.384 0.054 15 0 "[ . 1 . 2]" 1
142 1 19 THR MG 1 22 ASN HD21 . . 5.760 4.185 2.149 5.725 . 0 0 "[ . 1 . 2]" 1
143 1 19 THR MG 1 22 ASN HD22 . . 5.760 4.955 3.506 5.790 0.030 17 0 "[ . 1 . 2]" 1
144 1 19 THR MG 1 23 THR HA . . 4.070 3.574 2.272 4.118 0.048 7 0 "[ . 1 . 2]" 1
145 1 20 VAL H 1 20 VAL HB . . 3.990 2.952 2.422 3.806 . 0 0 "[ . 1 . 2]" 1
146 1 20 VAL H 1 20 VAL MG1 . . 4.560 3.717 2.164 4.038 . 0 0 "[ . 1 . 2]" 1
147 1 20 VAL H 1 20 VAL QG . . 3.920 2.597 2.151 2.866 . 0 0 "[ . 1 . 2]" 1
148 1 20 VAL H 1 20 VAL MG2 . . 4.560 2.856 2.509 3.829 . 0 0 "[ . 1 . 2]" 1
149 1 20 VAL H 1 21 GLY H . . 5.230 3.754 3.283 4.147 . 0 0 "[ . 1 . 2]" 1
150 1 20 VAL HA 1 20 VAL MG1 . . 3.750 2.417 2.197 3.222 . 0 0 "[ . 1 . 2]" 1
151 1 20 VAL HA 1 20 VAL MG2 . . 3.750 2.522 2.390 2.802 . 0 0 "[ . 1 . 2]" 1
152 1 20 VAL HA 1 34 LEU H . . 4.150 2.591 2.204 3.162 . 0 0 "[ . 1 . 2]" 1
153 1 20 VAL HA 1 35 LEU H . . 4.260 2.957 2.313 3.318 . 0 0 "[ . 1 . 2]" 1
154 1 20 VAL HA 1 35 LEU HB2 . . 4.570 3.335 2.971 4.590 0.020 20 0 "[ . 1 . 2]" 1
155 1 20 VAL HA 1 35 LEU QB . . 3.970 3.191 2.928 3.573 . 0 0 "[ . 1 . 2]" 1
156 1 20 VAL HA 1 35 LEU HB3 . . 4.570 4.492 3.089 4.638 0.068 10 0 "[ . 1 . 2]" 1
157 1 20 VAL HA 1 35 LEU QD . . 4.410 4.182 3.813 4.412 0.002 14 0 "[ . 1 . 2]" 1
158 1 20 VAL HB 1 21 GLY H . . 5.280 4.403 3.898 4.544 . 0 0 "[ . 1 . 2]" 1
159 1 20 VAL HB 1 93 LEU QD . . 4.710 4.310 3.712 4.725 0.015 16 0 "[ . 1 . 2]" 1
160 1 20 VAL QG 1 21 GLY H . . 4.280 3.372 3.096 3.738 . 0 0 "[ . 1 . 2]" 1
161 1 20 VAL QG 1 21 GLY QA . . 4.630 3.660 3.200 4.017 . 0 0 "[ . 1 . 2]" 1
162 1 20 VAL QG 1 34 LEU H . . 4.410 3.426 2.769 4.290 . 0 0 "[ . 1 . 2]" 1
163 1 20 VAL QG 1 34 LEU QB . . 3.020 2.188 1.915 2.940 . 0 0 "[ . 1 . 2]" 1
164 1 20 VAL QG 1 35 LEU H . . 4.140 3.290 2.439 3.767 . 0 0 "[ . 1 . 2]" 1
165 1 20 VAL QG 1 35 LEU HA . . 3.710 2.552 1.951 2.863 . 0 0 "[ . 1 . 2]" 1
166 1 20 VAL QG 1 36 GLY H . . 4.290 4.146 3.548 4.374 0.084 19 0 "[ . 1 . 2]" 1
167 1 20 VAL QG 1 93 LEU HA . . 4.290 3.175 2.226 4.090 . 0 0 "[ . 1 . 2]" 1
168 1 20 VAL QG 1 93 LEU QD . . 3.650 2.364 2.034 3.358 . 0 0 "[ . 1 . 2]" 1
169 1 20 VAL MG1 1 21 GLY H . . 5.130 3.713 3.182 4.481 . 0 0 "[ . 1 . 2]" 1
170 1 20 VAL MG1 1 34 LEU H . . 5.280 4.003 3.293 5.006 . 0 0 "[ . 1 . 2]" 1
171 1 20 VAL MG1 1 34 LEU HB2 . . 4.170 2.808 2.227 3.594 . 0 0 "[ . 1 . 2]" 1
172 1 20 VAL MG1 1 34 LEU HB3 . . 4.170 3.795 3.005 4.214 0.044 11 0 "[ . 1 . 2]" 1
173 1 20 VAL MG2 1 21 GLY H . . 5.130 4.152 3.219 4.420 . 0 0 "[ . 1 . 2]" 1
174 1 20 VAL MG2 1 34 LEU H . . 5.280 3.757 2.978 4.667 . 0 0 "[ . 1 . 2]" 1
175 1 20 VAL MG2 1 34 LEU HB2 . . 4.170 2.386 2.116 3.563 . 0 0 "[ . 1 . 2]" 1
176 1 20 VAL MG2 1 34 LEU HB3 . . 4.170 3.555 2.503 4.104 . 0 0 "[ . 1 . 2]" 1
177 1 21 GLY H 1 22 ASN H . . 4.700 2.819 2.134 3.558 . 0 0 "[ . 1 . 2]" 1
178 1 21 GLY H 1 34 LEU H . . 5.280 3.208 2.785 3.527 . 0 0 "[ . 1 . 2]" 1
179 1 21 GLY H 1 34 LEU HG . . 5.280 5.346 5.300 5.397 0.117 11 0 "[ . 1 . 2]" 1
180 1 21 GLY H 1 35 LEU H . . 4.980 2.922 2.425 3.624 . 0 0 "[ . 1 . 2]" 1
181 1 21 GLY H 1 35 LEU HB2 . . 4.720 2.781 2.090 4.742 0.022 20 0 "[ . 1 . 2]" 1
182 1 21 GLY H 1 35 LEU HB3 . . 4.720 3.558 3.068 4.342 . 0 0 "[ . 1 . 2]" 1
183 1 21 GLY H 1 35 LEU QD . . 5.040 3.693 2.940 4.156 . 0 0 "[ . 1 . 2]" 1
184 1 21 GLY QA 1 34 LEU H . . 5.220 4.931 4.358 5.228 0.008 18 0 "[ . 1 . 2]" 1
185 1 21 GLY QA 1 35 LEU QB . . 3.580 2.426 2.129 2.740 . 0 0 "[ . 1 . 2]" 1
186 1 21 GLY QA 1 35 LEU QD . . 2.940 2.310 1.997 2.952 0.012 8 0 "[ . 1 . 2]" 1
187 1 22 ASN H 1 22 ASN HB2 . . 3.970 2.716 2.020 3.397 . 0 0 "[ . 1 . 2]" 1
188 1 22 ASN H 1 22 ASN HB3 . . 3.970 3.219 2.267 3.962 . 0 0 "[ . 1 . 2]" 1
189 1 22 ASN H 1 23 THR H . . 5.760 3.351 2.409 4.493 . 0 0 "[ . 1 . 2]" 1
190 1 22 ASN H 1 35 LEU QD . . 5.250 4.788 4.054 5.273 0.023 7 0 "[ . 1 . 2]" 1
191 1 23 THR HA 1 23 THR MG . . 3.110 2.473 2.226 3.193 0.083 17 0 "[ . 1 . 2]" 1
192 1 23 THR HA 1 24 GLU H . . 3.550 2.437 2.047 3.522 . 0 0 "[ . 1 . 2]" 1
193 1 23 THR MG 1 24 GLU H . . 5.470 3.401 2.066 4.468 . 0 0 "[ . 1 . 2]" 1
194 1 24 GLU H 1 24 GLU HB2 . . 4.120 2.995 2.296 3.610 . 0 0 "[ . 1 . 2]" 1
195 1 24 GLU H 1 24 GLU QB . . 3.500 2.655 2.270 3.278 . 0 0 "[ . 1 . 2]" 1
196 1 24 GLU H 1 24 GLU HB3 . . 4.120 3.443 2.439 4.127 0.007 10 0 "[ . 1 . 2]" 1
197 1 24 GLU H 1 24 GLU QG . . 4.500 2.688 2.023 4.267 . 0 0 "[ . 1 . 2]" 1
198 1 24 GLU HA 1 25 PRO HD2 . . 3.170 2.649 2.161 3.179 0.009 7 0 "[ . 1 . 2]" 1
199 1 24 GLU HA 1 25 PRO QD . . 2.770 2.143 1.993 2.343 . 0 0 "[ . 1 . 2]" 1
200 1 24 GLU HA 1 25 PRO HD3 . . 3.170 2.391 2.030 3.060 . 0 0 "[ . 1 . 2]" 1
201 1 27 GLN H 1 27 GLN QG . . 5.070 3.021 2.089 4.276 . 0 0 "[ . 1 . 2]" 1
202 1 28 PRO HA 1 29 GLY H . . 3.190 2.573 2.162 3.280 0.090 5 0 "[ . 1 . 2]" 1
203 1 28 PRO HA 1 31 GLY H . . 5.760 5.231 2.984 5.823 0.063 6 0 "[ . 1 . 2]" 1
204 1 28 PRO QB 1 29 GLY H . . 4.050 3.136 1.996 3.969 . 0 0 "[ . 1 . 2]" 1
205 1 29 GLY H 1 30 ILE H . . 5.180 3.265 2.484 4.618 . 0 0 "[ . 1 . 2]" 1
206 1 29 GLY QA 1 30 ILE H . . 3.090 2.590 2.116 3.013 . 0 0 "[ . 1 . 2]" 1
207 1 29 GLY HA2 1 30 ILE H . . 3.550 3.391 2.832 3.567 0.017 17 0 "[ . 1 . 2]" 1
208 1 29 GLY HA3 1 30 ILE H . . 3.550 2.732 2.139 3.440 . 0 0 "[ . 1 . 2]" 1
209 1 30 ILE H 1 30 ILE HB . . 4.050 2.856 2.137 3.890 . 0 0 "[ . 1 . 2]" 1
210 1 30 ILE H 1 30 ILE MD . . 4.230 3.193 2.042 4.170 . 0 0 "[ . 1 . 2]" 1
211 1 30 ILE H 1 30 ILE HG12 . . 4.580 3.550 2.369 4.504 . 0 0 "[ . 1 . 2]" 1
212 1 30 ILE H 1 30 ILE QG . . 3.890 2.687 1.901 3.524 . 0 0 "[ . 1 . 2]" 1
213 1 30 ILE H 1 30 ILE HG13 . . 4.580 3.088 1.969 4.293 . 0 0 "[ . 1 . 2]" 1
214 1 30 ILE H 1 30 ILE MG . . 4.250 3.794 3.334 4.004 . 0 0 "[ . 1 . 2]" 1
215 1 30 ILE H 1 31 GLY H . . 4.910 2.788 1.948 4.398 . 0 0 "[ . 1 . 2]" 1
216 1 30 ILE HA 1 30 ILE MD . . 3.900 3.523 2.226 3.962 0.062 3 0 "[ . 1 . 2]" 1
217 1 30 ILE HA 1 30 ILE HG12 . . 4.140 3.096 2.434 4.166 0.026 17 0 "[ . 1 . 2]" 1
218 1 30 ILE HA 1 30 ILE HG13 . . 4.140 3.271 2.470 4.213 0.073 11 0 "[ . 1 . 2]" 1
219 1 30 ILE HA 1 30 ILE MG . . 3.520 2.381 2.066 2.735 . 0 0 "[ . 1 . 2]" 1
220 1 30 ILE HB 1 30 ILE MD . . 3.450 2.626 2.301 3.314 . 0 0 "[ . 1 . 2]" 1
221 1 30 ILE HB 1 31 GLY H . . 4.230 2.833 2.160 3.835 . 0 0 "[ . 1 . 2]" 1
222 1 30 ILE MD 1 30 ILE MG . . 3.330 2.335 2.038 3.281 . 0 0 "[ . 1 . 2]" 1
223 1 30 ILE MD 1 31 GLY H . . 4.850 4.615 3.232 4.889 0.039 7 0 "[ . 1 . 2]" 1
224 1 30 ILE MD 1 74 LEU QD . . 4.210 3.671 2.172 4.225 0.015 4 0 "[ . 1 . 2]" 1
225 1 30 ILE MG 1 31 GLY H . . 4.380 3.479 2.859 4.337 . 0 0 "[ . 1 . 2]" 1
226 1 30 ILE MG 1 74 LEU QD . . 3.590 2.119 1.872 2.565 . 0 0 "[ . 1 . 2]" 1
227 1 30 ILE MG 1 74 LEU HG . . 4.290 3.743 2.224 4.320 0.030 20 0 "[ . 1 . 2]" 1
228 1 33 ASP HA 1 35 LEU H . . 5.200 4.169 3.693 5.224 0.024 19 0 "[ . 1 . 2]" 1
229 1 33 ASP HB2 1 34 LEU H . . 5.760 3.836 2.566 4.403 . 0 0 "[ . 1 . 2]" 1
230 1 33 ASP HB3 1 34 LEU H . . 5.760 3.785 2.649 4.257 . 0 0 "[ . 1 . 2]" 1
231 1 34 LEU H 1 34 LEU MD1 . . 5.280 3.838 3.559 4.264 . 0 0 "[ . 1 . 2]" 1
232 1 34 LEU H 1 34 LEU MD2 . . 5.280 3.432 3.044 4.081 . 0 0 "[ . 1 . 2]" 1
233 1 34 LEU H 1 34 LEU HG . . 5.280 2.497 1.994 3.280 . 0 0 "[ . 1 . 2]" 1
234 1 34 LEU H 1 35 LEU H . . 4.470 2.549 1.896 3.145 . 0 0 "[ . 1 . 2]" 1
235 1 34 LEU HA 1 34 LEU QD . . 3.990 2.249 2.147 2.444 . 0 0 "[ . 1 . 2]" 1
236 1 34 LEU HA 1 37 VAL MG1 . . 4.620 3.181 2.225 4.626 0.006 17 0 "[ . 1 . 2]" 1
237 1 34 LEU HA 1 37 VAL QG . . 4.050 2.790 2.119 4.071 0.021 17 0 "[ . 1 . 2]" 1
238 1 34 LEU HA 1 37 VAL MG2 . . 4.620 3.591 2.125 4.527 . 0 0 "[ . 1 . 2]" 1
239 1 34 LEU QD 1 37 VAL QG . . 4.920 2.826 2.208 3.212 . 0 0 "[ . 1 . 2]" 1
240 1 35 LEU H 1 35 LEU HB2 . . 3.830 2.536 2.292 3.697 . 0 0 "[ . 1 . 2]" 1
241 1 35 LEU H 1 35 LEU HB3 . . 3.830 2.591 2.220 3.552 . 0 0 "[ . 1 . 2]" 1
242 1 35 LEU H 1 35 LEU MD1 . . 4.450 4.100 1.919 4.355 . 0 0 "[ . 1 . 2]" 1
243 1 35 LEU H 1 35 LEU QD . . 4.620 3.657 1.913 3.842 . 0 0 "[ . 1 . 2]" 1
244 1 35 LEU H 1 35 LEU MD2 . . 4.450 4.189 3.677 4.422 . 0 0 "[ . 1 . 2]" 1
245 1 35 LEU H 1 36 GLY H . . 5.160 4.400 2.806 4.656 . 0 0 "[ . 1 . 2]" 1
246 1 35 LEU HA 1 35 LEU MD1 . . 3.480 3.115 2.081 3.523 0.043 1 0 "[ . 1 . 2]" 1
247 1 35 LEU HA 1 35 LEU QD . . 2.920 2.659 2.068 3.050 0.130 20 0 "[ . 1 . 2]" 1
248 1 35 LEU HA 1 35 LEU MD2 . . 3.480 3.120 2.194 3.581 0.101 13 0 "[ . 1 . 2]" 1
249 1 35 LEU HA 1 36 GLY H . . 3.530 2.297 1.971 3.548 0.018 10 0 "[ . 1 . 2]" 1
250 1 35 LEU HA 1 37 VAL H . . 4.620 3.742 3.198 4.573 . 0 0 "[ . 1 . 2]" 1
251 1 35 LEU QB 1 35 LEU QD . . 2.690 1.964 1.893 2.090 . 0 0 "[ . 1 . 2]" 1
252 1 35 LEU QB 1 36 GLY H . . 3.530 3.385 1.949 3.655 0.125 11 0 "[ . 1 . 2]" 1
253 1 35 LEU HB2 1 35 LEU MD1 . . 3.500 2.561 2.142 3.254 . 0 0 "[ . 1 . 2]" 1
254 1 35 LEU HB2 1 35 LEU MD2 . . 3.500 2.766 2.159 3.238 . 0 0 "[ . 1 . 2]" 1
255 1 35 LEU HB3 1 35 LEU MD1 . . 3.500 2.712 2.352 3.303 . 0 0 "[ . 1 . 2]" 1
256 1 35 LEU HB3 1 35 LEU MD2 . . 3.500 2.589 2.193 3.247 . 0 0 "[ . 1 . 2]" 1
257 1 35 LEU QD 1 36 GLY H . . 3.820 2.597 1.787 3.191 . 0 0 "[ . 1 . 2]" 1
258 1 35 LEU MD1 1 36 GLY H . . 4.990 3.415 1.789 4.771 . 0 0 "[ . 1 . 2]" 1
259 1 35 LEU MD2 1 36 GLY H . . 4.990 3.089 2.156 4.389 . 0 0 "[ . 1 . 2]" 1
260 1 36 GLY H 1 37 VAL H . . 4.290 2.984 2.377 3.588 . 0 0 "[ . 1 . 2]" 1
261 1 36 GLY H 1 38 THR H . . 5.530 4.433 3.898 5.292 . 0 0 "[ . 1 . 2]" 1
262 1 36 GLY H 1 97 THR MG . . 5.760 3.152 2.084 4.831 . 0 0 "[ . 1 . 2]" 1
263 1 36 GLY QA 1 39 ARG QB . . 4.310 3.906 2.839 4.404 0.094 12 0 "[ . 1 . 2]" 1
264 1 36 GLY QA 1 39 ARG QG . . 4.450 3.162 2.367 4.582 0.132 14 0 "[ . 1 . 2]" 1
265 1 36 GLY HA2 1 39 ARG H . . 4.690 3.683 3.352 4.271 . 0 0 "[ . 1 . 2]" 1
266 1 36 GLY HA2 1 39 ARG QG . . 5.070 3.393 2.420 5.199 0.129 11 0 "[ . 1 . 2]" 1
267 1 36 GLY HA2 1 97 THR MG . . 3.700 2.322 2.025 2.953 . 0 0 "[ . 1 . 2]" 1
268 1 36 GLY HA3 1 39 ARG H . . 4.690 4.408 4.049 4.638 . 0 0 "[ . 1 . 2]" 1
269 1 36 GLY HA3 1 39 ARG QG . . 5.070 3.965 2.991 5.305 0.235 14 0 "[ . 1 . 2]" 1
270 1 36 GLY HA3 1 97 THR MG . . 3.700 3.418 2.931 3.721 0.021 17 0 "[ . 1 . 2]" 1
271 1 37 VAL H 1 37 VAL HB . . 3.510 2.623 2.277 3.598 0.088 8 0 "[ . 1 . 2]" 1
272 1 37 VAL H 1 37 VAL MG1 . . 3.920 2.482 2.014 3.797 . 0 0 "[ . 1 . 2]" 1
273 1 37 VAL H 1 37 VAL QG . . 3.310 2.262 1.865 2.610 . 0 0 "[ . 1 . 2]" 1
274 1 37 VAL H 1 37 VAL MG2 . . 3.920 3.282 2.115 3.800 . 0 0 "[ . 1 . 2]" 1
275 1 37 VAL H 1 38 THR MG . . 5.250 4.267 3.671 4.864 . 0 0 "[ . 1 . 2]" 1
276 1 37 VAL H 1 39 ARG H . . 5.340 4.365 4.212 4.625 . 0 0 "[ . 1 . 2]" 1
277 1 37 VAL HA 1 37 VAL MG1 . . 3.670 3.002 2.331 3.275 . 0 0 "[ . 1 . 2]" 1
278 1 37 VAL HA 1 37 VAL QG . . 3.130 2.239 2.139 2.328 . 0 0 "[ . 1 . 2]" 1
279 1 37 VAL HA 1 37 VAL MG2 . . 3.670 2.479 2.182 3.276 . 0 0 "[ . 1 . 2]" 1
280 1 37 VAL HA 1 40 GLN H . . 4.290 3.175 2.817 3.626 . 0 0 "[ . 1 . 2]" 1
281 1 37 VAL HA 1 40 GLN QG . . 4.710 3.570 2.367 4.172 . 0 0 "[ . 1 . 2]" 1
282 1 37 VAL HA 1 41 ARG H . . 4.630 3.792 3.181 4.639 0.009 7 0 "[ . 1 . 2]" 1
283 1 37 VAL HB 1 38 THR H . . 4.900 3.919 2.881 4.269 . 0 0 "[ . 1 . 2]" 1
284 1 37 VAL QG 1 38 THR H . . 3.800 2.520 2.292 3.358 . 0 0 "[ . 1 . 2]" 1
285 1 37 VAL QG 1 39 ARG H . . 5.690 4.224 3.999 4.424 . 0 0 "[ . 1 . 2]" 1
286 1 37 VAL QG 1 40 GLN H . . 4.730 4.144 3.699 4.616 . 0 0 "[ . 1 . 2]" 1
287 1 37 VAL QG 1 41 ARG H . . 5.690 3.796 3.002 5.077 . 0 0 "[ . 1 . 2]" 1
288 1 38 THR H 1 38 THR MG . . 3.530 2.265 1.953 2.719 . 0 0 "[ . 1 . 2]" 1
289 1 38 THR H 1 39 ARG H . . 3.580 2.782 2.640 2.937 . 0 0 "[ . 1 . 2]" 1
290 1 38 THR HA 1 38 THR MG . . 3.300 2.929 2.224 3.282 . 0 0 "[ . 1 . 2]" 1
291 1 38 THR HA 1 46 LEU QD . . 3.680 2.481 2.038 3.466 . 0 0 "[ . 1 . 2]" 1
292 1 38 THR HB 1 39 ARG H . . 5.040 4.125 3.779 4.370 . 0 0 "[ . 1 . 2]" 1
293 1 38 THR HB 1 46 LEU QD . . 4.190 3.541 2.549 4.192 0.002 3 0 "[ . 1 . 2]" 1
294 1 38 THR HB 1 94 GLU H . . 5.060 4.928 3.847 5.130 0.070 20 0 "[ . 1 . 2]" 1
295 1 38 THR MG 1 39 ARG H . . 5.050 3.222 2.286 4.430 . 0 0 "[ . 1 . 2]" 1
296 1 38 THR MG 1 40 GLN H . . 5.760 4.833 4.322 5.764 0.004 8 0 "[ . 1 . 2]" 1
297 1 38 THR MG 1 94 GLU H . . 4.930 3.781 2.988 4.483 . 0 0 "[ . 1 . 2]" 1
298 1 39 ARG H 1 39 ARG QB . . 3.700 2.732 2.243 3.186 . 0 0 "[ . 1 . 2]" 1
299 1 39 ARG H 1 39 ARG QG . . 4.100 2.795 2.109 4.105 0.005 11 0 "[ . 1 . 2]" 1
300 1 39 ARG HA 1 39 ARG QG . . 3.700 3.229 2.367 3.491 . 0 0 "[ . 1 . 2]" 1
301 1 39 ARG QG 1 40 GLN H . . 4.450 3.525 2.473 4.541 0.091 11 0 "[ . 1 . 2]" 1
302 1 40 GLN H 1 40 GLN HB2 . . 3.760 2.589 2.196 3.768 0.008 5 0 "[ . 1 . 2]" 1
303 1 40 GLN H 1 40 GLN QB . . 3.250 2.427 2.102 2.646 . 0 0 "[ . 1 . 2]" 1
304 1 40 GLN H 1 40 GLN HB3 . . 3.760 3.424 2.535 3.786 0.026 19 0 "[ . 1 . 2]" 1
305 1 40 GLN H 1 40 GLN QG . . 3.860 2.884 2.287 3.943 0.083 18 0 "[ . 1 . 2]" 1
306 1 40 GLN HA 1 40 GLN QG . . 3.760 2.704 2.235 3.317 . 0 0 "[ . 1 . 2]" 1
307 1 41 ARG H 1 41 ARG QB . . 3.880 2.515 2.232 2.727 . 0 0 "[ . 1 . 2]" 1
308 1 41 ARG H 1 41 ARG QD . . 5.590 4.256 2.874 5.270 . 0 0 "[ . 1 . 2]" 1
309 1 41 ARG H 1 41 ARG QG . . 4.230 3.350 2.378 4.244 0.014 17 0 "[ . 1 . 2]" 1
310 1 41 ARG H 1 42 ASP H . . 5.620 4.266 2.297 4.673 . 0 0 "[ . 1 . 2]" 1
311 1 41 ARG HA 1 41 ARG HD2 . . 4.360 3.529 2.928 4.556 0.196 18 0 "[ . 1 . 2]" 1
312 1 41 ARG HA 1 41 ARG HD3 . . 4.360 2.688 2.128 4.500 0.140 3 0 "[ . 1 . 2]" 1
313 1 41 ARG QD 1 63 LEU QD . . 4.000 2.874 2.146 4.075 0.075 20 0 "[ . 1 . 2]" 1
314 1 41 ARG HE 1 63 LEU QD . . 5.230 4.475 3.319 5.723 0.493 3 0 "[ . 1 . 2]" 1
315 1 41 ARG HE 1 71 TYR QE . . 5.280 5.250 4.178 5.855 0.575 19 1 "[ . 1 . +2]" 1
316 1 42 ASP H 1 42 ASP HB2 . . 3.900 2.591 2.287 3.538 . 0 0 "[ . 1 . 2]" 1
317 1 42 ASP H 1 42 ASP HB3 . . 3.900 3.088 2.280 3.993 0.093 11 0 "[ . 1 . 2]" 1
318 1 42 ASP HA 1 43 ALA H . . 3.350 2.179 2.074 2.778 . 0 0 "[ . 1 . 2]" 1
319 1 42 ASP HA 1 43 ALA MB . . 3.860 3.853 3.716 3.892 0.032 16 0 "[ . 1 . 2]" 1
320 1 42 ASP QB 1 45 TRP H . . 3.860 3.062 2.655 3.336 . 0 0 "[ . 1 . 2]" 1
321 1 42 ASP HB2 1 43 ALA H . . 4.740 4.230 3.601 4.455 . 0 0 "[ . 1 . 2]" 1
322 1 42 ASP HB2 1 45 TRP H . . 4.540 4.249 3.673 4.573 0.033 20 0 "[ . 1 . 2]" 1
323 1 42 ASP HB2 1 45 TRP HB2 . . 4.220 3.866 2.858 4.252 0.032 16 0 "[ . 1 . 2]" 1
324 1 42 ASP HB2 1 45 TRP HB3 . . 4.220 3.298 2.192 4.071 . 0 0 "[ . 1 . 2]" 1
325 1 42 ASP HB2 1 46 LEU H . . 5.760 4.928 3.994 5.609 . 0 0 "[ . 1 . 2]" 1
326 1 42 ASP HB3 1 43 ALA H . . 4.740 3.734 2.652 4.434 . 0 0 "[ . 1 . 2]" 1
327 1 42 ASP HB3 1 45 TRP H . . 4.540 3.165 2.680 3.577 . 0 0 "[ . 1 . 2]" 1
328 1 42 ASP HB3 1 45 TRP HB2 . . 4.220 3.133 2.609 4.237 0.017 11 0 "[ . 1 . 2]" 1
329 1 42 ASP HB3 1 45 TRP HB3 . . 4.220 2.609 2.106 3.779 . 0 0 "[ . 1 . 2]" 1
330 1 42 ASP HB3 1 46 LEU H . . 5.760 4.126 3.043 4.811 . 0 0 "[ . 1 . 2]" 1
331 1 43 ALA H 1 43 ALA MB . . 3.410 2.181 2.120 2.703 . 0 0 "[ . 1 . 2]" 1
332 1 43 ALA H 1 44 ASN H . . 4.570 2.877 1.759 3.094 . 0 0 "[ . 1 . 2]" 1
333 1 43 ALA H 1 45 TRP H . . 5.260 4.339 3.168 4.675 . 0 0 "[ . 1 . 2]" 1
334 1 43 ALA HA 1 46 LEU H . . 4.400 3.813 3.369 4.426 0.026 10 0 "[ . 1 . 2]" 1
335 1 43 ALA HA 1 46 LEU HB2 . . 4.620 3.669 2.489 4.524 . 0 0 "[ . 1 . 2]" 1
336 1 43 ALA HA 1 46 LEU QB . . 3.870 2.896 2.321 3.475 . 0 0 "[ . 1 . 2]" 1
337 1 43 ALA HA 1 46 LEU HB3 . . 4.620 3.236 2.428 4.639 0.019 3 0 "[ . 1 . 2]" 1
338 1 43 ALA HA 1 47 VAL H . . 5.420 4.563 3.757 5.149 . 0 0 "[ . 1 . 2]" 1
339 1 43 ALA MB 1 44 ASN H . . 3.860 2.839 2.429 3.187 . 0 0 "[ . 1 . 2]" 1
340 1 43 ALA MB 1 44 ASN HA . . 4.170 4.091 3.826 4.206 0.036 10 0 "[ . 1 . 2]" 1
341 1 44 ASN H 1 44 ASN HB2 . . 3.980 2.520 2.160 2.950 . 0 0 "[ . 1 . 2]" 1
342 1 44 ASN H 1 44 ASN QB . . 3.480 2.368 2.139 2.568 . 0 0 "[ . 1 . 2]" 1
343 1 44 ASN H 1 44 ASN HB3 . . 3.980 3.220 2.386 3.763 . 0 0 "[ . 1 . 2]" 1
344 1 44 ASN H 1 44 ASN QD . . 5.120 3.948 2.328 4.713 . 0 0 "[ . 1 . 2]" 1
345 1 44 ASN H 1 45 TRP H . . 4.020 2.402 2.101 2.800 . 0 0 "[ . 1 . 2]" 1
346 1 44 ASN H 1 45 TRP HB2 . . 5.410 4.769 4.391 5.307 . 0 0 "[ . 1 . 2]" 1
347 1 44 ASN H 1 45 TRP HB3 . . 5.410 4.475 3.819 5.117 . 0 0 "[ . 1 . 2]" 1
348 1 44 ASN HA 1 47 VAL H . . 4.380 3.520 2.545 3.891 . 0 0 "[ . 1 . 2]" 1
349 1 44 ASN HA 1 47 VAL HB . . 3.720 3.302 2.788 3.937 0.217 14 0 "[ . 1 . 2]" 1
350 1 44 ASN HA 1 47 VAL QG . . 3.730 3.206 1.780 3.760 0.030 16 0 "[ . 1 . 2]" 1
351 1 44 ASN QB 1 45 TRP H . . 3.630 2.758 2.487 3.197 . 0 0 "[ . 1 . 2]" 1
352 1 44 ASN HB2 1 45 TRP H . . 4.170 3.326 2.536 4.017 . 0 0 "[ . 1 . 2]" 1
353 1 44 ASN HB3 1 45 TRP H . . 4.170 3.299 2.561 4.115 . 0 0 "[ . 1 . 2]" 1
354 1 45 TRP H 1 45 TRP HB2 . . 4.150 2.529 2.386 2.747 . 0 0 "[ . 1 . 2]" 1
355 1 45 TRP H 1 45 TRP QB . . 3.650 2.226 2.139 2.316 . 0 0 "[ . 1 . 2]" 1
356 1 45 TRP H 1 45 TRP HB3 . . 4.150 2.488 2.278 2.662 . 0 0 "[ . 1 . 2]" 1
357 1 45 TRP H 1 45 TRP HD1 . . 5.760 4.977 4.791 5.149 . 0 0 "[ . 1 . 2]" 1
358 1 45 TRP H 1 45 TRP HE3 . . 5.760 4.727 4.380 5.007 . 0 0 "[ . 1 . 2]" 1
359 1 45 TRP H 1 46 LEU H . . 4.340 2.796 2.461 3.037 . 0 0 "[ . 1 . 2]" 1
360 1 45 TRP H 1 47 VAL H . . 5.120 4.365 4.014 4.622 . 0 0 "[ . 1 . 2]" 1
361 1 45 TRP HA 1 45 TRP HD1 . . 4.750 3.265 3.103 3.431 . 0 0 "[ . 1 . 2]" 1
362 1 45 TRP HA 1 48 ARG HB2 . . 4.280 3.280 2.443 4.051 . 0 0 "[ . 1 . 2]" 1
363 1 45 TRP HA 1 48 ARG QB . . 3.580 2.701 2.425 3.031 . 0 0 "[ . 1 . 2]" 1
364 1 45 TRP HA 1 48 ARG HB3 . . 4.280 3.408 2.516 4.413 0.133 16 0 "[ . 1 . 2]" 1
365 1 45 TRP HB2 1 46 LEU H . . 4.430 3.886 3.808 4.015 . 0 0 "[ . 1 . 2]" 1
366 1 45 TRP HB3 1 46 LEU H . . 4.430 2.538 2.411 2.686 . 0 0 "[ . 1 . 2]" 1
367 1 45 TRP HD1 1 56 MET ME . . 4.290 3.416 2.660 4.307 0.017 11 0 "[ . 1 . 2]" 1
368 1 45 TRP HE1 1 56 MET ME . . 4.030 3.101 2.424 4.031 0.001 16 0 "[ . 1 . 2]" 1
369 1 45 TRP HE1 1 63 LEU H . . 5.190 4.431 3.929 5.225 0.035 7 0 "[ . 1 . 2]" 1
370 1 45 TRP HE1 1 63 LEU HB2 . . 5.240 4.253 3.791 4.826 . 0 0 "[ . 1 . 2]" 1
371 1 45 TRP HE1 1 63 LEU QB . . 4.440 2.683 2.461 3.116 . 0 0 "[ . 1 . 2]" 1
372 1 45 TRP HE1 1 63 LEU HB3 . . 5.240 2.713 2.478 3.155 . 0 0 "[ . 1 . 2]" 1
373 1 45 TRP HE1 1 63 LEU MD1 . . 5.280 4.793 3.057 5.302 0.022 16 0 "[ . 1 . 2]" 1
374 1 45 TRP HE1 1 63 LEU MD2 . . 5.280 3.937 3.007 5.283 0.003 10 0 "[ . 1 . 2]" 1
375 1 45 TRP HE1 1 63 LEU HG . . 5.280 4.156 3.723 4.408 . 0 0 "[ . 1 . 2]" 1
376 1 45 TRP HE1 1 64 ALA H . . 5.130 3.395 2.692 3.855 . 0 0 "[ . 1 . 2]" 1
377 1 45 TRP HE1 1 64 ALA HA . . 5.280 4.960 4.139 5.318 0.038 10 0 "[ . 1 . 2]" 1
378 1 45 TRP HE1 1 64 ALA MB . . 5.280 3.457 2.776 3.884 . 0 0 "[ . 1 . 2]" 1
379 1 45 TRP HE3 1 46 LEU H . . 4.730 2.841 2.585 3.195 . 0 0 "[ . 1 . 2]" 1
380 1 45 TRP HE3 1 46 LEU HA . . 4.410 2.625 2.303 3.038 . 0 0 "[ . 1 . 2]" 1
381 1 45 TRP HE3 1 46 LEU QB . . 5.020 3.014 2.347 4.083 . 0 0 "[ . 1 . 2]" 1
382 1 45 TRP HE3 1 46 LEU QD . . 5.000 3.375 2.850 4.240 . 0 0 "[ . 1 . 2]" 1
383 1 45 TRP HH2 1 63 LEU QD . . 5.110 3.861 2.793 4.435 . 0 0 "[ . 1 . 2]" 1
384 1 45 TRP HH2 1 67 LEU QD . . 4.180 2.325 2.039 3.508 . 0 0 "[ . 1 . 2]" 1
385 1 45 TRP HZ2 1 56 MET ME . . 5.150 4.025 2.922 5.155 0.005 1 0 "[ . 1 . 2]" 1
386 1 45 TRP HZ2 1 63 LEU HB2 . . 5.620 5.086 4.110 5.641 0.021 5 0 "[ . 1 . 2]" 1
387 1 45 TRP HZ2 1 63 LEU QB . . 4.910 3.398 2.486 4.067 . 0 0 "[ . 1 . 2]" 1
388 1 45 TRP HZ2 1 63 LEU HB3 . . 5.620 3.454 2.507 4.172 . 0 0 "[ . 1 . 2]" 1
389 1 45 TRP HZ2 1 63 LEU QD . . 5.180 3.388 2.463 4.003 . 0 0 "[ . 1 . 2]" 1
390 1 45 TRP HZ2 1 63 LEU HG . . 5.360 3.576 2.472 5.284 . 0 0 "[ . 1 . 2]" 1
391 1 45 TRP HZ2 1 64 ALA H . . 4.590 3.176 2.743 3.707 . 0 0 "[ . 1 . 2]" 1
392 1 45 TRP HZ2 1 64 ALA HA . . 5.760 2.704 2.224 3.205 . 0 0 "[ . 1 . 2]" 1
393 1 45 TRP HZ2 1 64 ALA MB . . 5.760 2.284 2.118 3.429 . 0 0 "[ . 1 . 2]" 1
394 1 45 TRP HZ2 1 67 LEU QD . . 5.230 3.506 2.342 4.919 . 0 0 "[ . 1 . 2]" 1
395 1 45 TRP HZ3 1 67 LEU QD . . 5.230 3.504 2.731 4.248 . 0 0 "[ . 1 . 2]" 1
396 1 46 LEU H 1 46 LEU HB2 . . 3.990 2.381 2.268 2.496 . 0 0 "[ . 1 . 2]" 1
397 1 46 LEU H 1 46 LEU HB3 . . 3.990 2.609 2.355 3.569 . 0 0 "[ . 1 . 2]" 1
398 1 46 LEU H 1 46 LEU MD1 . . 5.280 4.032 3.388 4.289 . 0 0 "[ . 1 . 2]" 1
399 1 46 LEU H 1 46 LEU QD . . 4.570 3.614 3.172 3.738 . 0 0 "[ . 1 . 2]" 1
400 1 46 LEU H 1 46 LEU MD2 . . 5.280 4.093 3.735 4.219 . 0 0 "[ . 1 . 2]" 1
401 1 46 LEU H 1 46 LEU HG . . 5.140 4.168 2.499 4.532 . 0 0 "[ . 1 . 2]" 1
402 1 46 LEU H 1 47 VAL H . . 4.570 2.883 2.769 3.070 . 0 0 "[ . 1 . 2]" 1
403 1 46 LEU HA 1 46 LEU MD1 . . 4.460 2.769 2.161 3.887 . 0 0 "[ . 1 . 2]" 1
404 1 46 LEU HA 1 46 LEU QD . . 3.440 2.292 2.121 3.170 . 0 0 "[ . 1 . 2]" 1
405 1 46 LEU HA 1 46 LEU MD2 . . 4.460 3.348 2.131 3.931 . 0 0 "[ . 1 . 2]" 1
406 1 46 LEU HA 1 49 TRP H . . 5.330 3.677 3.343 4.135 . 0 0 "[ . 1 . 2]" 1
407 1 46 LEU HA 1 49 TRP HB2 . . 4.470 3.776 3.199 4.240 . 0 0 "[ . 1 . 2]" 1
408 1 46 LEU HA 1 49 TRP QB . . 3.870 2.561 2.116 3.107 . 0 0 "[ . 1 . 2]" 1
409 1 46 LEU HA 1 49 TRP HB3 . . 4.470 2.608 2.147 3.195 . 0 0 "[ . 1 . 2]" 1
410 1 46 LEU HA 1 50 LEU H . . 5.630 4.017 3.729 4.595 . 0 0 "[ . 1 . 2]" 1
411 1 46 LEU QB 1 46 LEU QD . . 2.780 1.965 1.904 2.094 . 0 0 "[ . 1 . 2]" 1
412 1 46 LEU QB 1 47 VAL H . . 3.730 2.637 2.513 2.848 . 0 0 "[ . 1 . 2]" 1
413 1 46 LEU HB2 1 46 LEU MD1 . . 3.590 2.491 2.181 3.242 . 0 0 "[ . 1 . 2]" 1
414 1 46 LEU HB2 1 46 LEU MD2 . . 3.590 2.606 2.320 3.246 . 0 0 "[ . 1 . 2]" 1
415 1 46 LEU HB2 1 47 VAL H . . 4.430 3.771 2.695 4.065 . 0 0 "[ . 1 . 2]" 1
416 1 46 LEU HB3 1 46 LEU MD1 . . 3.590 2.926 2.303 3.258 . 0 0 "[ . 1 . 2]" 1
417 1 46 LEU HB3 1 46 LEU MD2 . . 3.590 2.449 2.244 3.261 . 0 0 "[ . 1 . 2]" 1
418 1 46 LEU HB3 1 47 VAL H . . 4.430 2.792 2.550 3.522 . 0 0 "[ . 1 . 2]" 1
419 1 47 VAL H 1 47 VAL HB . . 3.580 2.606 2.317 3.602 0.022 14 0 "[ . 1 . 2]" 1
420 1 47 VAL H 1 47 VAL MG1 . . 4.430 3.730 2.251 3.838 . 0 0 "[ . 1 . 2]" 1
421 1 47 VAL H 1 47 VAL QG . . 3.180 2.195 1.981 2.454 . 0 0 "[ . 1 . 2]" 1
422 1 47 VAL H 1 47 VAL MG2 . . 4.430 2.244 1.988 2.864 . 0 0 "[ . 1 . 2]" 1
423 1 47 VAL H 1 48 ARG H . . 4.300 2.605 2.429 2.820 . 0 0 "[ . 1 . 2]" 1
424 1 47 VAL H 1 49 TRP H . . 5.640 4.135 3.884 4.358 . 0 0 "[ . 1 . 2]" 1
425 1 47 VAL HA 1 47 VAL MG1 . . 3.470 2.388 2.253 2.589 . 0 0 "[ . 1 . 2]" 1
426 1 47 VAL HA 1 47 VAL QG . . 2.990 2.139 2.088 2.434 . 0 0 "[ . 1 . 2]" 1
427 1 47 VAL HA 1 47 VAL MG2 . . 3.470 2.445 2.265 3.245 . 0 0 "[ . 1 . 2]" 1
428 1 47 VAL HA 1 49 TRP H . . 5.220 4.547 4.300 4.747 . 0 0 "[ . 1 . 2]" 1
429 1 47 VAL HA 1 50 LEU H . . 4.500 3.572 3.230 3.845 . 0 0 "[ . 1 . 2]" 1
430 1 47 VAL HA 1 50 LEU QB . . 4.030 3.588 2.522 4.076 0.046 18 0 "[ . 1 . 2]" 1
431 1 47 VAL HA 1 50 LEU QD . . 4.510 2.618 1.944 3.845 . 0 0 "[ . 1 . 2]" 1
432 1 47 VAL HA 1 50 LEU HG . . 5.040 4.443 2.057 5.083 0.043 14 0 "[ . 1 . 2]" 1
433 1 47 VAL HA 1 86 VAL QG . . 3.700 3.504 2.459 3.747 0.047 17 0 "[ . 1 . 2]" 1
434 1 47 VAL HA 1 90 ILE MD . . 4.040 2.750 2.356 3.125 . 0 0 "[ . 1 . 2]" 1
435 1 47 VAL HB 1 48 ARG H . . 4.160 2.945 2.492 4.155 . 0 0 "[ . 1 . 2]" 1
436 1 47 VAL QG 1 48 ARG H . . 3.500 3.349 2.487 3.535 0.035 13 0 "[ . 1 . 2]" 1
437 1 47 VAL QG 1 51 LYS QE . . 5.070 3.754 2.074 5.092 0.022 10 0 "[ . 1 . 2]" 1
438 1 47 VAL QG 1 90 ILE HA . . 4.210 4.252 4.187 4.309 0.099 4 0 "[ . 1 . 2]" 1
439 1 47 VAL QG 1 90 ILE MD . . 3.320 2.088 1.925 2.619 . 0 0 "[ . 1 . 2]" 1
440 1 47 VAL MG1 1 48 ARG H . . 4.120 3.731 3.292 4.123 0.003 18 0 "[ . 1 . 2]" 1
441 1 47 VAL MG2 1 48 ARG H . . 4.120 3.885 2.511 4.141 0.021 15 0 "[ . 1 . 2]" 1
442 1 48 ARG H 1 48 ARG HB2 . . 4.160 2.444 2.272 2.684 . 0 0 "[ . 1 . 2]" 1
443 1 48 ARG H 1 48 ARG QB . . 3.540 2.277 2.132 2.370 . 0 0 "[ . 1 . 2]" 1
444 1 48 ARG H 1 48 ARG HB3 . . 4.160 2.983 2.329 3.628 . 0 0 "[ . 1 . 2]" 1
445 1 48 ARG H 1 48 ARG HD2 . . 5.760 4.758 2.939 5.869 0.109 1 0 "[ . 1 . 2]" 1
446 1 48 ARG H 1 48 ARG QD . . 4.940 4.211 2.888 4.592 . 0 0 "[ . 1 . 2]" 1
447 1 48 ARG H 1 48 ARG HD3 . . 5.760 4.832 4.076 5.089 . 0 0 "[ . 1 . 2]" 1
448 1 48 ARG H 1 49 TRP H . . 4.360 2.685 2.456 2.834 . 0 0 "[ . 1 . 2]" 1
449 1 48 ARG HA 1 48 ARG QD . . 4.270 3.607 2.146 4.172 . 0 0 "[ . 1 . 2]" 1
450 1 48 ARG HA 1 51 LYS H . . 4.730 3.757 3.304 4.398 . 0 0 "[ . 1 . 2]" 1
451 1 48 ARG HA 1 51 LYS HB2 . . 4.200 3.542 2.385 4.248 0.048 10 0 "[ . 1 . 2]" 1
452 1 48 ARG HA 1 51 LYS QB . . 3.560 2.877 2.368 3.606 0.046 10 0 "[ . 1 . 2]" 1
453 1 48 ARG HA 1 51 LYS HB3 . . 4.200 3.515 2.473 4.284 0.084 3 0 "[ . 1 . 2]" 1
454 1 48 ARG HA 1 52 VAL QG . . 4.090 3.743 3.111 4.127 0.037 11 0 "[ . 1 . 2]" 1
455 1 48 ARG QB 1 48 ARG QD . . 3.000 2.279 2.090 2.933 . 0 0 "[ . 1 . 2]" 1
456 1 48 ARG QB 1 49 TRP H . . 4.220 2.563 2.334 2.797 . 0 0 "[ . 1 . 2]" 1
457 1 48 ARG HB2 1 48 ARG HD2 . . 4.190 2.884 2.388 3.823 . 0 0 "[ . 1 . 2]" 1
458 1 48 ARG HB2 1 48 ARG HD3 . . 4.190 3.094 2.346 4.272 0.082 3 0 "[ . 1 . 2]" 1
459 1 48 ARG HB2 1 49 TRP H . . 4.910 3.377 2.537 3.958 . 0 0 "[ . 1 . 2]" 1
460 1 48 ARG HB3 1 48 ARG HD2 . . 4.190 3.281 2.450 4.294 0.104 1 0 "[ . 1 . 2]" 1
461 1 48 ARG HB3 1 48 ARG HD3 . . 4.190 3.000 2.394 4.212 0.022 19 0 "[ . 1 . 2]" 1
462 1 48 ARG HB3 1 49 TRP H . . 4.910 2.921 2.360 3.731 . 0 0 "[ . 1 . 2]" 1
463 1 49 TRP H 1 49 TRP HB2 . . 4.150 2.637 2.470 2.832 . 0 0 "[ . 1 . 2]" 1
464 1 49 TRP H 1 49 TRP HB3 . . 4.150 2.335 2.176 2.610 . 0 0 "[ . 1 . 2]" 1
465 1 49 TRP H 1 50 LEU H . . 4.560 2.959 2.810 3.140 . 0 0 "[ . 1 . 2]" 1
466 1 49 TRP HA 1 49 TRP HE3 . . 3.940 2.557 2.337 3.006 . 0 0 "[ . 1 . 2]" 1
467 1 49 TRP HA 1 51 LYS H . . 5.180 4.178 3.732 4.526 . 0 0 "[ . 1 . 2]" 1
468 1 49 TRP QB 1 50 LEU H . . 4.260 2.531 2.348 2.767 . 0 0 "[ . 1 . 2]" 1
469 1 49 TRP QB 1 56 MET ME . . 3.810 2.721 2.175 3.814 0.004 1 0 "[ . 1 . 2]" 1
470 1 49 TRP HD1 1 50 LEU MD1 . . 5.000 4.776 4.273 5.041 0.041 10 0 "[ . 1 . 2]" 1
471 1 49 TRP HD1 1 50 LEU QD . . 4.400 4.165 3.188 4.431 0.031 18 0 "[ . 1 . 2]" 1
472 1 49 TRP HD1 1 50 LEU MD2 . . 5.000 4.753 3.224 5.043 0.043 6 0 "[ . 1 . 2]" 1
473 1 49 TRP HE3 1 53 PRO HA . . 5.030 2.864 2.525 3.505 . 0 0 "[ . 1 . 2]" 1
474 1 49 TRP HE3 1 56 MET ME . . 4.690 3.128 2.196 3.494 . 0 0 "[ . 1 . 2]" 1
475 1 49 TRP HE3 1 56 MET QG . . 4.250 2.945 2.061 4.260 0.010 13 0 "[ . 1 . 2]" 1
476 1 49 TRP HH2 1 57 LEU QD . . 5.690 3.052 2.307 3.861 . 0 0 "[ . 1 . 2]" 1
477 1 49 TRP HZ2 1 57 LEU QD . . 5.690 4.822 3.847 5.696 0.006 19 0 "[ . 1 . 2]" 1
478 1 49 TRP HZ3 1 53 PRO HA . . 5.540 3.111 2.602 4.168 . 0 0 "[ . 1 . 2]" 1
479 1 49 TRP HZ3 1 56 MET ME . . 5.210 4.761 3.510 5.237 0.027 10 0 "[ . 1 . 2]" 1
480 1 49 TRP HZ3 1 64 ALA MB . . 5.760 2.630 2.290 3.469 . 0 0 "[ . 1 . 2]" 1
481 1 50 LEU H 1 50 LEU MD1 . . 4.850 3.976 3.630 4.204 . 0 0 "[ . 1 . 2]" 1
482 1 50 LEU H 1 50 LEU QD . . 4.200 3.017 2.129 3.756 . 0 0 "[ . 1 . 2]" 1
483 1 50 LEU H 1 50 LEU MD2 . . 4.850 3.225 2.143 4.244 . 0 0 "[ . 1 . 2]" 1
484 1 50 LEU H 1 50 LEU HG . . 4.550 4.036 2.323 4.553 0.003 8 0 "[ . 1 . 2]" 1
485 1 50 LEU H 1 52 VAL H . . 5.760 4.511 4.347 4.687 . 0 0 "[ . 1 . 2]" 1
486 1 50 LEU HA 1 50 LEU MD1 . . 4.570 3.320 2.098 4.096 . 0 0 "[ . 1 . 2]" 1
487 1 50 LEU HA 1 50 LEU QD . . 3.890 2.957 2.088 3.429 . 0 0 "[ . 1 . 2]" 1
488 1 50 LEU HA 1 50 LEU MD2 . . 4.570 3.763 3.578 4.109 . 0 0 "[ . 1 . 2]" 1
489 1 50 LEU QD 1 51 LYS H . . 5.690 3.193 2.336 4.346 . 0 0 "[ . 1 . 2]" 1
490 1 50 LEU QD 1 86 VAL QG . . 3.660 2.205 1.910 2.867 . 0 0 "[ . 1 . 2]" 1
491 1 50 LEU QD 1 90 ILE MD . . 3.590 2.030 1.812 2.381 . 0 0 "[ . 1 . 2]" 1
492 1 50 LEU QD 1 90 ILE QG . . 4.650 3.575 3.257 3.971 . 0 0 "[ . 1 . 2]" 1
493 1 50 LEU HG 1 51 LYS H . . 5.760 4.026 2.999 4.849 . 0 0 "[ . 1 . 2]" 1
494 1 50 LEU HG 1 81 LEU QD . . 4.960 3.706 2.668 4.976 0.016 7 0 "[ . 1 . 2]" 1
495 1 51 LYS H 1 51 LYS HB2 . . 3.870 2.516 2.244 2.910 . 0 0 "[ . 1 . 2]" 1
496 1 51 LYS H 1 51 LYS QB . . 3.380 2.270 2.180 2.417 . 0 0 "[ . 1 . 2]" 1
497 1 51 LYS H 1 51 LYS HB3 . . 3.870 2.865 2.313 3.665 . 0 0 "[ . 1 . 2]" 1
498 1 51 LYS H 1 51 LYS HG2 . . 4.720 4.321 3.887 4.605 . 0 0 "[ . 1 . 2]" 1
499 1 51 LYS H 1 51 LYS QG . . 3.990 3.606 2.617 4.018 0.028 14 0 "[ . 1 . 2]" 1
500 1 51 LYS H 1 51 LYS HG3 . . 4.720 3.964 2.660 4.619 . 0 0 "[ . 1 . 2]" 1
501 1 51 LYS H 1 52 VAL H . . 4.260 2.504 2.191 2.788 . 0 0 "[ . 1 . 2]" 1
502 1 51 LYS H 1 52 VAL HA . . 5.310 5.176 4.929 5.329 0.019 19 0 "[ . 1 . 2]" 1
503 1 51 LYS HA 1 51 LYS QD . . 4.570 4.009 3.642 4.340 . 0 0 "[ . 1 . 2]" 1
504 1 51 LYS HA 1 51 LYS QG . . 3.670 2.363 2.147 2.605 . 0 0 "[ . 1 . 2]" 1
505 1 51 LYS HA 1 86 VAL QG . . 4.360 3.072 2.306 4.019 . 0 0 "[ . 1 . 2]" 1
506 1 51 LYS QB 1 51 LYS QD . . 3.130 2.286 2.112 2.461 . 0 0 "[ . 1 . 2]" 1
507 1 51 LYS QB 1 52 VAL H . . 4.340 2.807 2.376 3.330 . 0 0 "[ . 1 . 2]" 1
508 1 51 LYS QE 1 86 VAL QG . . 4.940 3.191 2.247 4.292 . 0 0 "[ . 1 . 2]" 1
509 1 51 LYS QG 1 52 VAL H . . 5.220 4.065 3.455 4.606 . 0 0 "[ . 1 . 2]" 1
510 1 51 LYS QG 1 86 VAL QG . . 5.070 2.333 1.927 2.947 . 0 0 "[ . 1 . 2]" 1
511 1 52 VAL H 1 52 VAL MG1 . . 4.090 2.720 2.285 3.608 . 0 0 "[ . 1 . 2]" 1
512 1 52 VAL H 1 52 VAL QG . . 3.370 2.467 2.234 2.658 . 0 0 "[ . 1 . 2]" 1
513 1 52 VAL H 1 52 VAL MG2 . . 4.090 3.623 2.290 4.108 0.018 1 0 "[ . 1 . 2]" 1
514 1 52 VAL H 1 53 PRO QD . . 5.590 2.750 2.295 3.052 . 0 0 "[ . 1 . 2]" 1
515 1 52 VAL HA 1 54 ASP H . . 4.650 3.794 3.200 4.422 . 0 0 "[ . 1 . 2]" 1
516 1 52 VAL HA 1 55 GLN H . . 4.820 4.058 3.743 4.200 . 0 0 "[ . 1 . 2]" 1
517 1 52 VAL HA 1 55 GLN HB2 . . 5.220 4.758 3.669 5.230 0.010 15 0 "[ . 1 . 2]" 1
518 1 52 VAL HA 1 55 GLN QB . . 4.500 4.138 3.603 4.520 0.020 14 0 "[ . 1 . 2]" 1
519 1 52 VAL HA 1 55 GLN HB3 . . 5.220 4.633 3.995 5.258 0.038 1 0 "[ . 1 . 2]" 1
520 1 52 VAL HA 1 78 ASN H . . 5.760 5.341 4.654 5.789 0.029 18 0 "[ . 1 . 2]" 1
521 1 52 VAL HA 1 78 ASN HB2 . . 4.570 2.892 2.218 3.333 . 0 0 "[ . 1 . 2]" 1
522 1 52 VAL HA 1 78 ASN HB3 . . 4.570 4.341 2.300 4.618 0.048 1 0 "[ . 1 . 2]" 1
523 1 52 VAL HA 1 78 ASN HD21 . . 4.640 3.313 2.432 4.083 . 0 0 "[ . 1 . 2]" 1
524 1 52 VAL HA 1 78 ASN HD22 . . 4.640 4.094 2.830 4.684 0.044 20 0 "[ . 1 . 2]" 1
525 1 52 VAL QG 1 55 GLN H . . 4.000 2.923 1.944 4.015 0.015 11 0 "[ . 1 . 2]" 1
526 1 52 VAL QG 1 55 GLN QB . . 3.450 2.098 1.832 2.914 . 0 0 "[ . 1 . 2]" 1
527 1 52 VAL QG 1 55 GLN QE . . 5.040 3.519 2.328 4.867 . 0 0 "[ . 1 . 2]" 1
528 1 52 VAL QG 1 55 GLN QG . . 4.150 3.355 2.490 4.021 . 0 0 "[ . 1 . 2]" 1
529 1 52 VAL QG 1 56 MET H . . 4.980 3.100 2.783 3.639 . 0 0 "[ . 1 . 2]" 1
530 1 52 VAL QG 1 56 MET QB . . 3.600 3.316 2.322 3.638 0.038 14 0 "[ . 1 . 2]" 1
531 1 52 VAL QG 1 78 ASN QD . . 4.160 2.935 1.998 3.940 . 0 0 "[ . 1 . 2]" 1
532 1 52 VAL MG1 1 55 GLN H . . 4.650 4.042 3.462 4.667 0.017 11 0 "[ . 1 . 2]" 1
533 1 52 VAL MG1 1 55 GLN HB2 . . 4.710 3.807 3.240 4.357 . 0 0 "[ . 1 . 2]" 1
534 1 52 VAL MG1 1 55 GLN HB3 . . 4.710 2.863 2.191 4.685 . 0 0 "[ . 1 . 2]" 1
535 1 52 VAL MG1 1 55 GLN HG2 . . 6.570 4.427 3.457 6.579 0.009 1 0 "[ . 1 . 2]" 1
536 1 52 VAL MG1 1 55 GLN HG3 . . 6.570 4.786 3.418 6.131 . 0 0 "[ . 1 . 2]" 1
537 1 52 VAL MG1 1 56 MET H . . 5.760 3.669 2.853 5.379 . 0 0 "[ . 1 . 2]" 1
538 1 52 VAL MG2 1 55 GLN H . . 4.650 3.069 1.951 4.431 . 0 0 "[ . 1 . 2]" 1
539 1 52 VAL MG2 1 55 GLN HB2 . . 4.710 2.756 2.010 4.724 0.014 11 0 "[ . 1 . 2]" 1
540 1 52 VAL MG2 1 55 GLN HB3 . . 4.710 2.413 2.073 3.319 . 0 0 "[ . 1 . 2]" 1
541 1 52 VAL MG2 1 55 GLN HG2 . . 6.570 4.034 2.706 5.233 . 0 0 "[ . 1 . 2]" 1
542 1 52 VAL MG2 1 55 GLN HG3 . . 6.570 4.285 3.632 5.700 . 0 0 "[ . 1 . 2]" 1
543 1 52 VAL MG2 1 56 MET H . . 5.760 3.616 3.017 3.946 . 0 0 "[ . 1 . 2]" 1
544 1 53 PRO HA 1 56 MET H . . 4.840 3.477 2.982 3.897 . 0 0 "[ . 1 . 2]" 1
545 1 53 PRO HA 1 56 MET HB2 . . 4.740 3.040 2.362 3.704 . 0 0 "[ . 1 . 2]" 1
546 1 53 PRO HA 1 56 MET QB . . 4.150 2.599 2.284 2.983 . 0 0 "[ . 1 . 2]" 1
547 1 53 PRO HA 1 56 MET HB3 . . 4.740 3.352 2.328 4.539 . 0 0 "[ . 1 . 2]" 1
548 1 53 PRO HA 1 56 MET HG2 . . 5.240 4.500 3.759 5.276 0.036 4 0 "[ . 1 . 2]" 1
549 1 53 PRO HA 1 56 MET HG3 . . 5.240 4.573 3.210 5.283 0.043 10 0 "[ . 1 . 2]" 1
550 1 53 PRO HA 1 57 LEU H . . 5.280 4.214 3.678 4.777 . 0 0 "[ . 1 . 2]" 1
551 1 53 PRO QD 1 78 ASN HA . . 4.740 2.639 2.203 3.258 . 0 0 "[ . 1 . 2]" 1
552 1 53 PRO QD 1 78 ASN QB . . 4.670 2.424 1.937 3.597 . 0 0 "[ . 1 . 2]" 1
553 1 53 PRO QG 1 54 ASP H . . 4.350 2.548 2.022 4.096 . 0 0 "[ . 1 . 2]" 1
554 1 53 PRO QG 1 78 ASN HA . . 4.160 3.161 2.539 3.856 . 0 0 "[ . 1 . 2]" 1
555 1 53 PRO HG2 1 78 ASN HA . . 4.890 3.510 2.595 4.268 . 0 0 "[ . 1 . 2]" 1
556 1 53 PRO HG3 1 78 ASN HA . . 4.890 3.652 2.785 4.395 . 0 0 "[ . 1 . 2]" 1
557 1 54 ASP H 1 55 GLN H . . 4.090 2.582 2.142 2.867 . 0 0 "[ . 1 . 2]" 1
558 1 54 ASP H 1 56 MET H . . 5.760 4.052 3.594 4.410 . 0 0 "[ . 1 . 2]" 1
559 1 54 ASP H 1 78 ASN HB2 . . 4.900 3.674 2.856 4.279 . 0 0 "[ . 1 . 2]" 1
560 1 54 ASP H 1 78 ASN QB . . 4.290 3.482 2.750 3.982 . 0 0 "[ . 1 . 2]" 1
561 1 54 ASP H 1 78 ASN HB3 . . 4.900 4.670 2.783 4.932 0.032 19 0 "[ . 1 . 2]" 1
562 1 54 ASP HA 1 57 LEU QB . . 4.620 3.111 2.619 4.185 . 0 0 "[ . 1 . 2]" 1
563 1 54 ASP HA 1 57 LEU QD . . 5.690 3.540 2.867 5.152 . 0 0 "[ . 1 . 2]" 1
564 1 55 GLN H 1 55 GLN QB . . 3.660 2.223 1.995 2.322 . 0 0 "[ . 1 . 2]" 1
565 1 55 GLN H 1 55 GLN HG2 . . 4.620 4.460 3.689 4.605 . 0 0 "[ . 1 . 2]" 1
566 1 55 GLN H 1 55 GLN QG . . 3.990 3.899 2.752 4.042 0.052 9 0 "[ . 1 . 2]" 1
567 1 55 GLN H 1 55 GLN HG3 . . 4.620 4.335 2.816 4.588 . 0 0 "[ . 1 . 2]" 1
568 1 55 GLN H 1 56 MET H . . 4.130 2.574 2.173 2.818 . 0 0 "[ . 1 . 2]" 1
569 1 55 GLN H 1 57 LEU H . . 5.280 4.197 3.758 4.414 . 0 0 "[ . 1 . 2]" 1
570 1 55 GLN H 1 78 ASN QB . . 4.920 4.575 3.665 4.972 0.052 20 0 "[ . 1 . 2]" 1
571 1 55 GLN HA 1 55 GLN HG2 . . 4.070 3.014 2.305 3.836 . 0 0 "[ . 1 . 2]" 1
572 1 55 GLN HA 1 55 GLN HG3 . . 4.070 2.720 2.376 3.614 . 0 0 "[ . 1 . 2]" 1
573 1 55 GLN HA 1 58 ALA H . . 3.810 3.227 2.866 3.705 . 0 0 "[ . 1 . 2]" 1
574 1 55 GLN HA 1 58 ALA MB . . 3.280 2.326 2.131 2.565 . 0 0 "[ . 1 . 2]" 1
575 1 55 GLN QB 1 56 MET H . . 4.000 2.757 2.573 3.112 . 0 0 "[ . 1 . 2]" 1
576 1 55 GLN HB2 1 56 MET H . . 4.570 3.869 3.249 4.017 . 0 0 "[ . 1 . 2]" 1
577 1 55 GLN HB3 1 56 MET H . . 4.570 2.859 2.608 3.897 . 0 0 "[ . 1 . 2]" 1
578 1 55 GLN QG 1 56 MET H . . 4.880 4.067 3.657 4.605 . 0 0 "[ . 1 . 2]" 1
579 1 55 GLN QG 1 58 ALA MB . . 4.260 3.463 2.851 4.107 . 0 0 "[ . 1 . 2]" 1
580 1 56 MET H 1 56 MET ME . . 4.800 4.704 4.413 4.831 0.031 20 0 "[ . 1 . 2]" 1
581 1 56 MET H 1 56 MET HG2 . . 4.680 3.883 2.287 4.643 . 0 0 "[ . 1 . 2]" 1
582 1 56 MET H 1 56 MET QG . . 4.080 3.319 2.257 4.074 . 0 0 "[ . 1 . 2]" 1
583 1 56 MET H 1 56 MET HG3 . . 4.680 3.849 2.539 4.509 . 0 0 "[ . 1 . 2]" 1
584 1 56 MET H 1 57 LEU H . . 4.450 2.802 2.595 2.928 . 0 0 "[ . 1 . 2]" 1
585 1 56 MET HA 1 56 MET ME . . 4.320 3.859 3.597 4.254 . 0 0 "[ . 1 . 2]" 1
586 1 56 MET HA 1 56 MET HG2 . . 4.100 3.150 2.366 3.859 . 0 0 "[ . 1 . 2]" 1
587 1 56 MET HA 1 56 MET HG3 . . 4.100 2.973 2.282 3.752 . 0 0 "[ . 1 . 2]" 1
588 1 56 MET HA 1 59 GLU HB2 . . 4.680 4.262 2.852 4.788 0.108 14 0 "[ . 1 . 2]" 1
589 1 56 MET HA 1 59 GLU HB3 . . 4.680 3.258 2.413 3.980 . 0 0 "[ . 1 . 2]" 1
590 1 56 MET HA 1 59 GLU HG2 . . 5.360 2.942 1.971 4.542 . 0 0 "[ . 1 . 2]" 1
591 1 56 MET HA 1 59 GLU QG . . 4.720 2.854 1.963 4.289 . 0 0 "[ . 1 . 2]" 1
592 1 56 MET HA 1 59 GLU HG3 . . 5.360 4.247 3.395 5.367 0.007 20 0 "[ . 1 . 2]" 1
593 1 56 MET QB 1 64 ALA MB . . 3.750 3.240 2.631 3.797 0.047 1 0 "[ . 1 . 2]" 1
594 1 56 MET HB2 1 56 MET ME . . 3.620 2.854 2.287 3.516 . 0 0 "[ . 1 . 2]" 1
595 1 56 MET HB3 1 56 MET ME . . 3.620 2.972 2.202 3.630 0.010 11 0 "[ . 1 . 2]" 1
596 1 56 MET QG 1 57 LEU H . . 5.000 3.992 3.569 4.502 . 0 0 "[ . 1 . 2]" 1
597 1 56 MET QG 1 64 ALA MB . . 4.210 3.269 2.076 4.245 0.035 4 0 "[ . 1 . 2]" 1
598 1 57 LEU H 1 57 LEU MD1 . . 5.080 3.839 3.530 4.176 . 0 0 "[ . 1 . 2]" 1
599 1 57 LEU H 1 57 LEU QD . . 4.290 3.461 3.103 3.763 . 0 0 "[ . 1 . 2]" 1
600 1 57 LEU H 1 57 LEU MD2 . . 5.080 3.952 3.382 4.295 . 0 0 "[ . 1 . 2]" 1
601 1 57 LEU H 1 57 LEU HG . . 4.510 3.458 2.278 4.543 0.033 17 0 "[ . 1 . 2]" 1
602 1 57 LEU H 1 58 ALA H . . 4.140 2.628 2.422 2.752 . 0 0 "[ . 1 . 2]" 1
603 1 57 LEU H 1 58 ALA MB . . 4.480 4.305 4.030 4.420 . 0 0 "[ . 1 . 2]" 1
604 1 57 LEU H 1 59 GLU H . . 5.580 4.148 3.909 4.372 . 0 0 "[ . 1 . 2]" 1
605 1 57 LEU HA 1 57 LEU MD1 . . 4.180 3.071 2.075 3.937 . 0 0 "[ . 1 . 2]" 1
606 1 57 LEU HA 1 57 LEU QD . . 3.160 2.134 2.066 2.295 . 0 0 "[ . 1 . 2]" 1
607 1 57 LEU HA 1 57 LEU MD2 . . 4.180 2.930 2.104 3.892 . 0 0 "[ . 1 . 2]" 1
608 1 57 LEU HA 1 60 LYS H . . 4.560 3.528 3.116 4.102 . 0 0 "[ . 1 . 2]" 1
609 1 57 LEU HA 1 61 ASP H . . 4.890 3.724 3.247 4.901 0.011 17 0 "[ . 1 . 2]" 1
610 1 57 LEU HA 1 64 ALA MB . . 3.970 3.594 2.902 4.005 0.035 15 0 "[ . 1 . 2]" 1
611 1 57 LEU QB 1 58 ALA H . . 4.020 2.883 2.590 3.197 . 0 0 "[ . 1 . 2]" 1
612 1 57 LEU HB2 1 58 ALA H . . 4.610 3.464 2.705 4.225 . 0 0 "[ . 1 . 2]" 1
613 1 57 LEU HB3 1 58 ALA H . . 4.610 3.414 2.693 4.128 . 0 0 "[ . 1 . 2]" 1
614 1 57 LEU QD 1 64 ALA MB . . 3.610 2.573 2.130 3.609 . 0 0 "[ . 1 . 2]" 1
615 1 57 LEU QD 1 65 MET QB . . 3.660 3.531 2.216 3.690 0.030 17 0 "[ . 1 . 2]" 1
616 1 57 LEU QD 1 65 MET ME . . 4.000 3.407 2.302 4.003 0.003 13 0 "[ . 1 . 2]" 1
617 1 57 LEU QD 1 68 PHE QB . . 4.230 2.656 2.173 3.469 . 0 0 "[ . 1 . 2]" 1
618 1 57 LEU QD 1 68 PHE QE . . 4.020 2.735 2.515 3.062 . 0 0 "[ . 1 . 2]" 1
619 1 57 LEU QD 1 75 ALA HA . . 3.600 3.393 2.899 3.628 0.028 4 0 "[ . 1 . 2]" 1
620 1 57 LEU MD1 1 58 ALA H . . 5.760 4.805 4.559 5.108 . 0 0 "[ . 1 . 2]" 1
621 1 57 LEU MD1 1 68 PHE QE . . 4.590 3.137 2.660 3.661 . 0 0 "[ . 1 . 2]" 1
622 1 57 LEU MD2 1 58 ALA H . . 5.760 4.796 4.411 5.068 . 0 0 "[ . 1 . 2]" 1
623 1 57 LEU MD2 1 68 PHE QE . . 4.590 3.066 2.691 3.497 . 0 0 "[ . 1 . 2]" 1
624 1 57 LEU HG 1 58 ALA H . . 4.730 4.504 4.035 4.798 0.068 13 0 "[ . 1 . 2]" 1
625 1 57 LEU HG 1 65 MET ME . . 5.760 5.318 3.800 5.810 0.050 20 0 "[ . 1 . 2]" 1
626 1 58 ALA H 1 58 ALA MB . . 3.220 2.237 2.159 2.312 . 0 0 "[ . 1 . 2]" 1
627 1 58 ALA MB 1 59 GLU H . . 4.250 2.774 2.451 3.052 . 0 0 "[ . 1 . 2]" 1
628 1 59 GLU H 1 59 GLU QB . . 3.610 2.320 2.156 2.609 . 0 0 "[ . 1 . 2]" 1
629 1 59 GLU H 1 59 GLU HG2 . . 4.620 3.407 2.322 4.550 . 0 0 "[ . 1 . 2]" 1
630 1 59 GLU H 1 59 GLU QG . . 4.020 3.173 2.290 4.038 0.018 17 0 "[ . 1 . 2]" 1
631 1 59 GLU H 1 59 GLU HG3 . . 4.620 4.027 3.492 4.555 . 0 0 "[ . 1 . 2]" 1
632 1 59 GLU H 1 60 LYS QG . . 5.590 4.751 4.390 5.595 0.005 12 0 "[ . 1 . 2]" 1
633 1 59 GLU HA 1 59 GLU QB . . 2.590 2.225 2.081 2.495 . 0 0 "[ . 1 . 2]" 1
634 1 59 GLU HA 1 59 GLU QG . . 3.700 3.130 2.506 3.398 . 0 0 "[ . 1 . 2]" 1
635 1 59 GLU QG 1 60 LYS H . . 4.770 3.417 2.195 4.590 . 0 0 "[ . 1 . 2]" 1
636 1 59 GLU HG2 1 61 ASP HA . . 5.220 4.770 3.576 5.272 0.052 15 0 "[ . 1 . 2]" 1
637 1 59 GLU HG3 1 61 ASP HA . . 5.220 4.281 3.512 5.246 0.026 20 0 "[ . 1 . 2]" 1
638 1 60 LYS H 1 60 LYS QD . . 5.500 4.502 2.675 5.042 . 0 0 "[ . 1 . 2]" 1
639 1 60 LYS H 1 60 LYS HG2 . . 4.610 3.272 2.899 3.696 . 0 0 "[ . 1 . 2]" 1
640 1 60 LYS H 1 60 LYS QG . . 3.830 2.776 2.554 3.240 . 0 0 "[ . 1 . 2]" 1
641 1 60 LYS H 1 60 LYS HG3 . . 4.610 3.168 2.643 4.570 . 0 0 "[ . 1 . 2]" 1
642 1 60 LYS H 1 61 ASP H . . 3.890 2.880 1.791 3.844 . 0 0 "[ . 1 . 2]" 1
643 1 60 LYS H 1 61 ASP QB . . 5.540 4.396 3.269 4.777 . 0 0 "[ . 1 . 2]" 1
644 1 60 LYS HA 1 65 MET QG . . 4.090 2.960 2.358 3.858 . 0 0 "[ . 1 . 2]" 1
645 1 60 LYS QB 1 60 LYS QD . . 3.060 2.229 2.095 2.509 . 0 0 "[ . 1 . 2]" 1
646 1 60 LYS QB 1 60 LYS QE . . 3.830 3.308 1.970 3.847 0.017 13 0 "[ . 1 . 2]" 1
647 1 60 LYS QB 1 61 ASP H . . 4.450 3.785 2.278 3.979 . 0 0 "[ . 1 . 2]" 1
648 1 60 LYS HG2 1 61 ASP H . . 5.760 4.724 3.177 5.366 . 0 0 "[ . 1 . 2]" 1
649 1 60 LYS HG3 1 61 ASP H . . 5.760 4.942 3.053 5.803 0.043 13 0 "[ . 1 . 2]" 1
650 1 61 ASP H 1 61 ASP HB2 . . 3.850 2.676 2.225 3.302 . 0 0 "[ . 1 . 2]" 1
651 1 61 ASP H 1 61 ASP HB3 . . 3.850 2.736 2.406 3.769 . 0 0 "[ . 1 . 2]" 1
652 1 61 ASP H 1 62 PRO QB . . 5.420 5.507 5.443 5.544 0.124 3 0 "[ . 1 . 2]" 1
653 1 61 ASP H 1 64 ALA H . . 5.760 5.082 4.518 5.774 0.014 7 0 "[ . 1 . 2]" 1
654 1 61 ASP HA 1 62 PRO HD2 . . 3.670 2.213 2.084 2.289 . 0 0 "[ . 1 . 2]" 1
655 1 61 ASP HA 1 62 PRO HD3 . . 3.670 2.291 2.109 2.602 . 0 0 "[ . 1 . 2]" 1
656 1 61 ASP HA 1 62 PRO HG2 . . 4.210 4.311 4.251 4.333 0.123 19 0 "[ . 1 . 2]" 1
657 1 61 ASP QB 1 64 ALA H . . 4.860 3.456 2.987 4.369 . 0 0 "[ . 1 . 2]" 1
658 1 61 ASP HB2 1 64 ALA H . . 5.690 5.062 4.519 5.734 0.044 13 0 "[ . 1 . 2]" 1
659 1 61 ASP HB3 1 64 ALA H . . 5.690 3.521 3.022 4.532 . 0 0 "[ . 1 . 2]" 1
660 1 62 PRO HA 1 65 MET H . . 4.390 3.188 2.862 3.730 . 0 0 "[ . 1 . 2]" 1
661 1 62 PRO HA 1 65 MET ME . . 4.360 4.389 4.354 4.419 0.059 20 0 "[ . 1 . 2]" 1
662 1 62 PRO HA 1 65 MET HG2 . . 5.140 2.824 2.129 3.986 . 0 0 "[ . 1 . 2]" 1
663 1 62 PRO HA 1 65 MET QG . . 4.290 2.406 2.044 3.247 . 0 0 "[ . 1 . 2]" 1
664 1 62 PRO HA 1 65 MET HG3 . . 5.140 2.722 2.371 4.387 . 0 0 "[ . 1 . 2]" 1
665 1 62 PRO QB 1 63 LEU H . . 3.530 3.284 2.239 3.612 0.082 5 0 "[ . 1 . 2]" 1
666 1 62 PRO HB2 1 63 LEU H . . 4.110 3.484 2.269 3.955 . 0 0 "[ . 1 . 2]" 1
667 1 62 PRO HB3 1 63 LEU H . . 4.110 4.073 3.363 4.216 0.106 19 0 "[ . 1 . 2]" 1
668 1 62 PRO HG2 1 63 LEU H . . 4.880 2.740 2.369 4.270 . 0 0 "[ . 1 . 2]" 1
669 1 63 LEU H 1 63 LEU HB2 . . 3.940 2.581 2.190 2.962 . 0 0 "[ . 1 . 2]" 1
670 1 63 LEU H 1 63 LEU HB3 . . 3.940 2.702 2.360 3.628 . 0 0 "[ . 1 . 2]" 1
671 1 63 LEU H 1 63 LEU MD1 . . 4.560 4.193 3.724 4.427 . 0 0 "[ . 1 . 2]" 1
672 1 63 LEU H 1 63 LEU QD . . 3.790 3.725 3.547 3.807 0.017 16 0 "[ . 1 . 2]" 1
673 1 63 LEU H 1 63 LEU MD2 . . 4.560 4.233 3.733 4.648 0.088 15 0 "[ . 1 . 2]" 1
674 1 63 LEU H 1 63 LEU HG . . 4.890 4.584 4.419 4.914 0.024 15 0 "[ . 1 . 2]" 1
675 1 63 LEU H 1 64 ALA H . . 4.010 2.861 2.523 3.689 . 0 0 "[ . 1 . 2]" 1
676 1 63 LEU HA 1 63 LEU MD1 . . 4.390 2.366 2.106 3.108 . 0 0 "[ . 1 . 2]" 1
677 1 63 LEU HA 1 63 LEU QD . . 3.190 2.142 2.066 2.226 . 0 0 "[ . 1 . 2]" 1
678 1 63 LEU HA 1 63 LEU MD2 . . 4.390 3.326 2.123 3.896 . 0 0 "[ . 1 . 2]" 1
679 1 63 LEU HA 1 66 LEU H . . 4.030 3.590 3.124 3.927 . 0 0 "[ . 1 . 2]" 1
680 1 63 LEU HA 1 66 LEU QB . . 3.600 2.837 2.417 3.614 0.014 11 0 "[ . 1 . 2]" 1
681 1 63 LEU HA 1 66 LEU QD . . 4.070 2.989 2.333 3.477 . 0 0 "[ . 1 . 2]" 1
682 1 63 LEU QB 1 64 ALA H . . 4.030 2.732 2.422 3.087 . 0 0 "[ . 1 . 2]" 1
683 1 63 LEU HB2 1 64 ALA H . . 4.580 4.005 3.645 4.272 . 0 0 "[ . 1 . 2]" 1
684 1 63 LEU HB3 1 64 ALA H . . 4.580 2.782 2.451 3.167 . 0 0 "[ . 1 . 2]" 1
685 1 63 LEU QD 1 64 ALA H . . 5.230 3.902 3.095 4.300 . 0 0 "[ . 1 . 2]" 1
686 1 63 LEU QD 1 66 LEU QB . . 3.780 3.051 2.373 3.462 . 0 0 "[ . 1 . 2]" 1
687 1 63 LEU HG 1 67 LEU QD . . 4.700 3.930 2.278 4.710 0.010 5 0 "[ . 1 . 2]" 1
688 1 64 ALA H 1 64 ALA MB . . 3.530 2.265 2.218 2.312 . 0 0 "[ . 1 . 2]" 1
689 1 64 ALA H 1 65 MET H . . 4.480 2.649 2.502 2.936 . 0 0 "[ . 1 . 2]" 1
690 1 64 ALA H 1 66 LEU H . . 5.760 4.089 3.959 4.382 . 0 0 "[ . 1 . 2]" 1
691 1 64 ALA HA 1 67 LEU H . . 4.390 3.108 2.963 3.335 . 0 0 "[ . 1 . 2]" 1
692 1 64 ALA HA 1 67 LEU QB . . 4.080 2.823 2.169 3.871 . 0 0 "[ . 1 . 2]" 1
693 1 64 ALA HA 1 67 LEU QD . . 4.090 2.919 2.077 3.772 . 0 0 "[ . 1 . 2]" 1
694 1 64 ALA MB 1 65 MET H . . 2.660 2.514 2.271 2.632 . 0 0 "[ . 1 . 2]" 1
695 1 64 ALA MB 1 67 LEU H . . 4.310 4.388 4.362 4.404 0.094 1 0 "[ . 1 . 2]" 1
696 1 65 MET H 1 65 MET QB . . 3.520 2.547 2.248 2.842 . 0 0 "[ . 1 . 2]" 1
697 1 65 MET H 1 65 MET ME . . 4.590 4.443 2.496 4.635 0.045 5 0 "[ . 1 . 2]" 1
698 1 65 MET H 1 65 MET HG2 . . 4.490 2.114 1.789 2.965 . 0 0 "[ . 1 . 2]" 1
699 1 65 MET H 1 65 MET HG3 . . 4.490 3.280 2.008 3.511 . 0 0 "[ . 1 . 2]" 1
700 1 65 MET H 1 66 LEU H . . 4.160 2.818 2.598 2.916 . 0 0 "[ . 1 . 2]" 1
701 1 65 MET H 1 67 LEU H . . 4.480 4.299 4.122 4.510 0.030 11 0 "[ . 1 . 2]" 1
702 1 65 MET HA 1 65 MET ME . . 3.710 3.402 2.766 3.746 0.036 13 0 "[ . 1 . 2]" 1
703 1 65 MET HA 1 68 PHE H . . 5.040 4.094 3.554 4.429 . 0 0 "[ . 1 . 2]" 1
704 1 65 MET HA 1 68 PHE QB . . 4.440 4.098 3.119 4.447 0.007 7 0 "[ . 1 . 2]" 1
705 1 65 MET HA 1 69 GLU H . . 4.500 4.442 4.022 4.564 0.064 15 0 "[ . 1 . 2]" 1
706 1 65 MET QB 1 66 LEU H . . 4.340 2.894 2.559 3.930 . 0 0 "[ . 1 . 2]" 1
707 1 65 MET ME 1 68 PHE QE . . 4.350 3.638 2.966 4.352 0.002 15 0 "[ . 1 . 2]" 1
708 1 65 MET HG2 1 66 LEU H . . 5.760 4.340 3.941 4.874 . 0 0 "[ . 1 . 2]" 1
709 1 65 MET HG3 1 66 LEU H . . 5.760 4.768 2.938 5.322 . 0 0 "[ . 1 . 2]" 1
710 1 66 LEU H 1 66 LEU QB . . 3.280 2.173 2.031 2.408 . 0 0 "[ . 1 . 2]" 1
711 1 66 LEU H 1 66 LEU MD1 . . 5.570 3.862 2.484 4.260 . 0 0 "[ . 1 . 2]" 1
712 1 66 LEU H 1 66 LEU QD . . 4.300 3.467 2.459 3.775 . 0 0 "[ . 1 . 2]" 1
713 1 66 LEU H 1 66 LEU MD2 . . 5.570 4.009 3.638 4.322 . 0 0 "[ . 1 . 2]" 1
714 1 66 LEU H 1 66 LEU HG . . 4.270 3.805 2.560 4.341 0.071 7 0 "[ . 1 . 2]" 1
715 1 66 LEU HA 1 66 LEU MD1 . . 3.870 2.951 2.109 3.895 0.025 10 0 "[ . 1 . 2]" 1
716 1 66 LEU HA 1 66 LEU MD2 . . 3.870 3.200 2.142 3.889 0.019 20 0 "[ . 1 . 2]" 1
717 1 66 LEU HA 1 66 LEU HG . . 3.850 2.951 2.379 3.267 . 0 0 "[ . 1 . 2]" 1
718 1 66 LEU HA 1 69 GLU H . . 5.530 4.080 3.710 4.841 . 0 0 "[ . 1 . 2]" 1
719 1 66 LEU QB 1 67 LEU H . . 3.630 2.466 2.322 2.710 . 0 0 "[ . 1 . 2]" 1
720 1 66 LEU QB 1 68 PHE H . . 4.540 4.623 4.603 4.644 0.104 17 0 "[ . 1 . 2]" 1
721 1 66 LEU QD 1 67 LEU H . . 5.690 3.885 3.277 4.255 . 0 0 "[ . 1 . 2]" 1
722 1 67 LEU H 1 67 LEU HB2 . . 3.830 2.754 2.333 3.699 . 0 0 "[ . 1 . 2]" 1
723 1 67 LEU H 1 67 LEU QB . . 2.980 2.253 2.046 2.712 . 0 0 "[ . 1 . 2]" 1
724 1 67 LEU H 1 67 LEU HB3 . . 3.830 2.561 2.237 3.741 . 0 0 "[ . 1 . 2]" 1
725 1 67 LEU H 1 67 LEU MD1 . . 4.090 3.872 2.040 4.120 0.030 2 0 "[ . 1 . 2]" 1
726 1 67 LEU H 1 67 LEU MD2 . . 4.090 3.772 1.885 4.130 0.040 9 0 "[ . 1 . 2]" 1
727 1 67 LEU H 1 67 LEU HG . . 5.140 3.838 2.207 4.501 . 0 0 "[ . 1 . 2]" 1
728 1 67 LEU HA 1 67 LEU MD1 . . 4.360 3.420 2.300 3.927 . 0 0 "[ . 1 . 2]" 1
729 1 67 LEU HA 1 67 LEU QD . . 3.220 2.834 2.130 3.285 0.065 5 0 "[ . 1 . 2]" 1
730 1 67 LEU HA 1 67 LEU MD2 . . 4.360 3.271 2.155 4.115 . 0 0 "[ . 1 . 2]" 1
731 1 67 LEU HA 1 70 GLN H . . 3.860 3.626 3.326 3.888 0.028 17 0 "[ . 1 . 2]" 1
732 1 67 LEU HA 1 70 GLN QB . . 3.550 3.072 2.510 3.576 0.026 19 0 "[ . 1 . 2]" 1
733 1 67 LEU QD 1 68 PHE H . . 3.350 3.255 3.081 3.454 0.104 10 0 "[ . 1 . 2]" 1
734 1 67 LEU QD 1 70 GLN H . . 5.690 4.709 3.863 5.372 . 0 0 "[ . 1 . 2]" 1
735 1 67 LEU QD 1 71 TYR QD . . 4.940 2.606 2.116 3.928 . 0 0 "[ . 1 . 2]" 1
736 1 67 LEU QD 1 71 TYR QE . . 4.400 2.566 2.036 3.264 . 0 0 "[ . 1 . 2]" 1
737 1 68 PHE H 1 68 PHE HB2 . . 4.110 3.535 3.417 3.654 . 0 0 "[ . 1 . 2]" 1
738 1 68 PHE H 1 68 PHE HB3 . . 4.110 2.283 2.173 2.414 . 0 0 "[ . 1 . 2]" 1
739 1 68 PHE H 1 68 PHE QD . . 5.690 2.832 2.506 3.107 . 0 0 "[ . 1 . 2]" 1
740 1 68 PHE H 1 68 PHE QE . . 5.280 5.114 4.774 5.309 0.029 5 0 "[ . 1 . 2]" 1
741 1 68 PHE H 1 69 GLU H . . 4.270 2.719 2.513 2.896 . 0 0 "[ . 1 . 2]" 1
742 1 68 PHE HB2 1 69 GLU H . . 4.500 4.290 4.134 4.429 . 0 0 "[ . 1 . 2]" 1
743 1 68 PHE HB3 1 69 GLU H . . 4.500 3.736 3.548 3.868 . 0 0 "[ . 1 . 2]" 1
744 1 68 PHE QD 1 69 GLU H . . 4.900 2.654 2.167 3.315 . 0 0 "[ . 1 . 2]" 1
745 1 68 PHE QE 1 73 ARG HA . . 5.020 3.576 2.961 4.269 . 0 0 "[ . 1 . 2]" 1
746 1 68 PHE QE 1 73 ARG HD2 . . 5.610 4.437 2.703 5.663 0.053 19 0 "[ . 1 . 2]" 1
747 1 68 PHE QE 1 73 ARG HD3 . . 5.610 4.609 3.021 5.469 . 0 0 "[ . 1 . 2]" 1
748 1 68 PHE QE 1 73 ARG QG . . 5.590 3.671 2.358 4.840 . 0 0 "[ . 1 . 2]" 1
749 1 68 PHE QE 1 75 ALA HA . . 4.410 4.405 4.133 4.447 0.037 5 0 "[ . 1 . 2]" 1
750 1 68 PHE QE 1 75 ALA MB . . 4.270 2.782 2.333 4.095 . 0 0 "[ . 1 . 2]" 1
751 1 68 PHE HZ 1 73 ARG HA . . 5.410 4.870 4.050 5.441 0.031 16 0 "[ . 1 . 2]" 1
752 1 68 PHE HZ 1 73 ARG HD2 . . 5.760 4.555 2.887 5.713 . 0 0 "[ . 1 . 2]" 1
753 1 68 PHE HZ 1 73 ARG HD3 . . 5.760 4.749 3.308 6.294 0.534 14 1 "[ . 1 +. 2]" 1
754 1 69 GLU H 1 69 GLU HB2 . . 3.880 2.929 2.216 3.766 . 0 0 "[ . 1 . 2]" 1
755 1 69 GLU H 1 69 GLU HB3 . . 3.880 2.774 2.040 3.672 . 0 0 "[ . 1 . 2]" 1
756 1 69 GLU H 1 69 GLU QG . . 3.680 2.885 2.100 3.811 0.131 4 0 "[ . 1 . 2]" 1
757 1 69 GLU H 1 70 GLN H . . 3.700 2.735 2.490 2.919 . 0 0 "[ . 1 . 2]" 1
758 1 69 GLU H 1 71 TYR H . . 5.340 4.316 3.920 4.580 . 0 0 "[ . 1 . 2]" 1
759 1 69 GLU HA 1 69 GLU QG . . 3.860 2.861 2.138 3.448 . 0 0 "[ . 1 . 2]" 1
760 1 69 GLU HA 1 73 ARG QG . . 4.490 2.731 2.012 4.120 . 0 0 "[ . 1 . 2]" 1
761 1 69 GLU QG 1 70 GLN H . . 4.770 3.516 2.656 4.533 . 0 0 "[ . 1 . 2]" 1
762 1 70 GLN H 1 70 GLN HB2 . . 3.740 2.482 2.315 2.717 . 0 0 "[ . 1 . 2]" 1
763 1 70 GLN H 1 70 GLN QB . . 3.230 2.364 2.206 2.624 . 0 0 "[ . 1 . 2]" 1
764 1 70 GLN H 1 70 GLN HB3 . . 3.740 3.338 2.414 3.735 . 0 0 "[ . 1 . 2]" 1
765 1 70 GLN H 1 70 GLN HG2 . . 4.690 3.352 2.335 4.603 . 0 0 "[ . 1 . 2]" 1
766 1 70 GLN H 1 70 GLN QG . . 4.050 2.921 2.315 4.044 . 0 0 "[ . 1 . 2]" 1
767 1 70 GLN H 1 70 GLN HG3 . . 4.690 3.706 2.485 4.597 . 0 0 "[ . 1 . 2]" 1
768 1 70 GLN H 1 71 TYR H . . 4.160 2.609 2.205 2.857 . 0 0 "[ . 1 . 2]" 1
769 1 70 GLN HA 1 70 GLN HG2 . . 4.210 3.020 2.283 3.897 . 0 0 "[ . 1 . 2]" 1
770 1 70 GLN HA 1 70 GLN QG . . 3.490 2.750 2.221 3.226 . 0 0 "[ . 1 . 2]" 1
771 1 70 GLN HA 1 70 GLN HG3 . . 4.210 3.365 2.625 3.862 . 0 0 "[ . 1 . 2]" 1
772 1 70 GLN HA 1 73 ARG H . . 4.860 4.881 4.470 4.947 0.087 20 0 "[ . 1 . 2]" 1
773 1 70 GLN HB2 1 71 TYR H . . 4.250 3.542 2.749 4.226 . 0 0 "[ . 1 . 2]" 1
774 1 70 GLN HB2 1 71 TYR QD . . 5.760 4.321 3.134 5.403 . 0 0 "[ . 1 . 2]" 1
775 1 70 GLN HB2 1 71 TYR QE . . 5.760 4.856 3.150 5.769 0.009 11 0 "[ . 1 . 2]" 1
776 1 70 GLN HB3 1 71 TYR H . . 4.250 3.771 2.609 4.304 0.054 2 0 "[ . 1 . 2]" 1
777 1 70 GLN HB3 1 71 TYR QD . . 5.760 4.436 3.330 5.270 . 0 0 "[ . 1 . 2]" 1
778 1 70 GLN HB3 1 71 TYR QE . . 5.760 4.884 3.626 5.785 0.025 1 0 "[ . 1 . 2]" 1
779 1 71 TYR H 1 71 TYR QD . . 4.600 3.229 2.887 3.952 . 0 0 "[ . 1 . 2]" 1
780 1 71 TYR H 1 72 ASN H . . 5.760 3.146 2.341 3.625 . 0 0 "[ . 1 . 2]" 1
781 1 71 TYR HA 1 72 ASN QB . . 4.400 3.899 3.600 4.417 0.017 16 0 "[ . 1 . 2]" 1
782 1 72 ASN H 1 72 ASN HB2 . . 4.030 3.052 2.828 3.943 . 0 0 "[ . 1 . 2]" 1
783 1 72 ASN H 1 72 ASN HB3 . . 4.030 3.650 3.053 4.036 0.006 3 0 "[ . 1 . 2]" 1
784 1 72 ASN H 1 73 ARG H . . 4.580 2.812 1.884 2.998 . 0 0 "[ . 1 . 2]" 1
785 1 73 ARG H 1 73 ARG QD . . 4.690 4.471 2.560 4.856 0.166 4 0 "[ . 1 . 2]" 1
786 1 73 ARG H 1 73 ARG HG2 . . 5.040 3.791 2.731 4.811 . 0 0 "[ . 1 . 2]" 1
787 1 73 ARG H 1 73 ARG QG . . 4.200 3.237 2.606 3.882 . 0 0 "[ . 1 . 2]" 1
788 1 73 ARG H 1 73 ARG HG3 . . 5.040 3.827 2.673 5.031 . 0 0 "[ . 1 . 2]" 1
789 1 73 ARG H 1 74 LEU H . . 4.470 3.169 2.679 4.488 0.018 3 0 "[ . 1 . 2]" 1
790 1 73 ARG HA 1 73 ARG HD2 . . 5.760 4.117 2.178 4.900 . 0 0 "[ . 1 . 2]" 1
791 1 73 ARG HA 1 73 ARG HD3 . . 5.760 4.186 2.407 4.872 . 0 0 "[ . 1 . 2]" 1
792 1 74 LEU H 1 74 LEU HB2 . . 4.120 2.578 2.078 3.334 . 0 0 "[ . 1 . 2]" 1
793 1 74 LEU H 1 74 LEU HB3 . . 4.120 2.763 2.386 3.807 . 0 0 "[ . 1 . 2]" 1
794 1 74 LEU H 1 74 LEU MD1 . . 5.280 4.189 3.101 4.710 . 0 0 "[ . 1 . 2]" 1
795 1 74 LEU H 1 74 LEU QD . . 4.350 3.697 3.019 3.942 . 0 0 "[ . 1 . 2]" 1
796 1 74 LEU H 1 74 LEU MD2 . . 5.280 4.199 3.497 4.885 . 0 0 "[ . 1 . 2]" 1
797 1 74 LEU H 1 74 LEU HG . . 5.430 4.459 2.902 5.139 . 0 0 "[ . 1 . 2]" 1
798 1 74 LEU HA 1 74 LEU MD1 . . 4.370 2.876 2.111 3.745 . 0 0 "[ . 1 . 2]" 1
799 1 74 LEU HA 1 74 LEU QD . . 3.800 2.365 2.101 3.140 . 0 0 "[ . 1 . 2]" 1
800 1 74 LEU HA 1 74 LEU MD2 . . 4.370 3.194 2.136 3.889 . 0 0 "[ . 1 . 2]" 1
801 1 74 LEU HA 1 74 LEU HG . . 4.130 3.098 2.432 3.771 . 0 0 "[ . 1 . 2]" 1
802 1 74 LEU HG 1 75 ALA H . . 5.390 4.337 1.799 5.399 0.009 19 0 "[ . 1 . 2]" 1
803 1 75 ALA H 1 76 MET H . . 5.280 4.086 2.985 4.690 . 0 0 "[ . 1 . 2]" 1
804 1 75 ALA MB 1 76 MET H . . 3.800 2.885 2.021 3.766 . 0 0 "[ . 1 . 2]" 1
805 1 77 PRO HA 1 78 ASN H . . 3.370 2.363 2.151 2.512 . 0 0 "[ . 1 . 2]" 1
806 1 77 PRO QB 1 78 ASN H . . 3.860 2.673 2.291 3.124 . 0 0 "[ . 1 . 2]" 1
807 1 77 PRO HB2 1 78 ASN H . . 4.500 2.752 2.329 3.301 . 0 0 "[ . 1 . 2]" 1
808 1 77 PRO HB3 1 78 ASN H . . 4.500 3.664 3.404 3.860 . 0 0 "[ . 1 . 2]" 1
809 1 78 ASN H 1 78 ASN HB2 . . 4.160 2.805 2.519 3.613 . 0 0 "[ . 1 . 2]" 1
810 1 78 ASN H 1 78 ASN QB . . 3.570 2.238 2.071 2.408 . 0 0 "[ . 1 . 2]" 1
811 1 78 ASN H 1 78 ASN HB3 . . 4.160 2.374 2.132 2.614 . 0 0 "[ . 1 . 2]" 1
812 1 78 ASN H 1 78 ASN QD . . 5.580 4.514 2.451 4.808 . 0 0 "[ . 1 . 2]" 1
813 1 78 ASN HA 1 80 ARG H . . 5.040 4.321 3.547 5.114 0.074 18 0 "[ . 1 . 2]" 1
814 1 78 ASN HB2 1 79 MET H . . 5.760 4.231 3.769 4.474 . 0 0 "[ . 1 . 2]" 1
815 1 78 ASN HB3 1 79 MET H . . 5.760 4.086 3.001 4.508 . 0 0 "[ . 1 . 2]" 1
816 1 79 MET H 1 79 MET HG2 . . 5.760 3.555 2.276 5.306 . 0 0 "[ . 1 . 2]" 1
817 1 79 MET H 1 79 MET QG . . 4.900 2.844 2.212 4.573 . 0 0 "[ . 1 . 2]" 1
818 1 79 MET H 1 79 MET HG3 . . 5.760 3.418 2.236 4.993 . 0 0 "[ . 1 . 2]" 1
819 1 79 MET H 1 80 ARG H . . 4.290 3.044 2.560 4.202 . 0 0 "[ . 1 . 2]" 1
820 1 79 MET HA 1 79 MET QG . . 3.690 2.668 2.272 3.209 . 0 0 "[ . 1 . 2]" 1
821 1 80 ARG H 1 80 ARG QD . . 4.680 4.296 2.175 4.718 0.038 19 0 "[ . 1 . 2]" 1
822 1 80 ARG H 1 80 ARG HG2 . . 5.040 3.554 2.705 5.141 0.101 18 0 "[ . 1 . 2]" 1
823 1 80 ARG H 1 80 ARG QG . . 4.340 3.053 2.497 4.410 0.070 18 0 "[ . 1 . 2]" 1
824 1 80 ARG H 1 80 ARG HG3 . . 5.040 3.611 2.562 5.105 0.065 8 0 "[ . 1 . 2]" 1
825 1 80 ARG H 1 81 LEU H . . 4.290 2.761 1.810 3.243 . 0 0 "[ . 1 . 2]" 1
826 1 80 ARG HA 1 80 ARG QD . . 4.500 3.465 2.125 4.501 0.001 6 0 "[ . 1 . 2]" 1
827 1 80 ARG HA 1 80 ARG QG . . 3.680 2.626 2.309 3.407 . 0 0 "[ . 1 . 2]" 1
828 1 80 ARG QB 1 81 LEU H . . 4.700 3.831 2.158 4.067 . 0 0 "[ . 1 . 2]" 1
829 1 81 LEU H 1 81 LEU MD1 . . 4.230 3.619 2.102 4.220 . 0 0 "[ . 1 . 2]" 1
830 1 81 LEU H 1 81 LEU QD . . 3.240 2.748 1.939 3.252 0.012 17 0 "[ . 1 . 2]" 1
831 1 81 LEU H 1 81 LEU MD2 . . 4.230 3.038 1.944 4.132 . 0 0 "[ . 1 . 2]" 1
832 1 81 LEU H 1 81 LEU HG . . 4.060 2.947 2.172 4.078 0.018 11 0 "[ . 1 . 2]" 1
833 1 81 LEU HA 1 81 LEU QD . . 3.630 2.301 2.033 3.449 . 0 0 "[ . 1 . 2]" 1
834 1 81 LEU HA 1 81 LEU HG . . 3.850 3.355 2.768 3.813 . 0 0 "[ . 1 . 2]" 1
835 1 81 LEU HA 1 82 GLY H . . 3.430 2.225 2.080 2.512 . 0 0 "[ . 1 . 2]" 1
836 1 81 LEU QB 1 82 GLY H . . 4.230 3.112 2.531 3.963 . 0 0 "[ . 1 . 2]" 1
837 1 81 LEU QB 1 86 VAL QG . . 3.950 2.240 1.929 3.469 . 0 0 "[ . 1 . 2]" 1
838 1 81 LEU HB2 1 82 GLY H . . 4.880 4.029 2.589 4.619 . 0 0 "[ . 1 . 2]" 1
839 1 81 LEU HB3 1 82 GLY H . . 4.880 3.364 2.576 4.396 . 0 0 "[ . 1 . 2]" 1
840 1 81 LEU QD 1 82 GLY H . . 4.100 3.618 3.345 4.106 0.006 8 0 "[ . 1 . 2]" 1
841 1 81 LEU QD 1 85 GLU QB . . 4.690 3.236 2.021 4.554 . 0 0 "[ . 1 . 2]" 1
842 1 81 LEU QD 1 85 GLU QG . . 4.230 3.403 2.258 4.249 0.019 11 0 "[ . 1 . 2]" 1
843 1 82 GLY H 1 85 GLU H . . 5.280 4.023 3.621 4.372 . 0 0 "[ . 1 . 2]" 1
844 1 82 GLY H 1 85 GLU QB . . 5.000 2.652 2.193 3.505 . 0 0 "[ . 1 . 2]" 1
845 1 82 GLY H 1 85 GLU HG2 . . 5.210 3.821 2.344 4.985 . 0 0 "[ . 1 . 2]" 1
846 1 82 GLY H 1 85 GLU QG . . 4.360 3.248 2.324 4.060 . 0 0 "[ . 1 . 2]" 1
847 1 82 GLY H 1 85 GLU HG3 . . 5.210 3.943 3.006 5.009 . 0 0 "[ . 1 . 2]" 1
848 1 82 GLY QA 1 86 VAL H . . 4.820 4.317 4.145 4.555 . 0 0 "[ . 1 . 2]" 1
849 1 83 ASP H 1 86 VAL H . . 5.310 4.849 4.664 5.133 . 0 0 "[ . 1 . 2]" 1
850 1 83 ASP HA 1 86 VAL H . . 4.030 3.587 3.232 4.012 . 0 0 "[ . 1 . 2]" 1
851 1 83 ASP HA 1 86 VAL HB . . 3.650 2.846 2.241 3.684 0.034 4 0 "[ . 1 . 2]" 1
852 1 83 ASP HA 1 86 VAL QG . . 4.350 3.224 2.478 4.065 . 0 0 "[ . 1 . 2]" 1
853 1 84 ALA HA 1 87 SER H . . 4.110 3.390 3.069 4.117 0.007 4 0 "[ . 1 . 2]" 1
854 1 84 ALA MB 1 85 GLU H . . 4.770 2.916 2.578 3.410 . 0 0 "[ . 1 . 2]" 1
855 1 85 GLU H 1 85 GLU QG . . 3.680 3.024 2.309 3.785 0.105 8 0 "[ . 1 . 2]" 1
856 1 85 GLU H 1 86 VAL H . . 3.870 2.497 2.165 2.758 . 0 0 "[ . 1 . 2]" 1
857 1 85 GLU H 1 87 SER H . . 4.040 3.959 3.612 4.062 0.022 8 0 "[ . 1 . 2]" 1
858 1 85 GLU HA 1 85 GLU HG2 . . 4.160 3.102 2.370 3.853 . 0 0 "[ . 1 . 2]" 1
859 1 85 GLU HA 1 85 GLU QG . . 3.600 2.654 2.279 3.264 . 0 0 "[ . 1 . 2]" 1
860 1 85 GLU HA 1 85 GLU HG3 . . 4.160 3.072 2.353 3.869 . 0 0 "[ . 1 . 2]" 1
861 1 85 GLU HA 1 88 ALA MB . . 3.540 2.724 2.279 3.044 . 0 0 "[ . 1 . 2]" 1
862 1 85 GLU QB 1 86 VAL H . . 4.680 2.709 2.272 3.500 . 0 0 "[ . 1 . 2]" 1
863 1 85 GLU HG2 1 86 VAL H . . 5.100 4.094 2.503 5.091 . 0 0 "[ . 1 . 2]" 1
864 1 85 GLU HG3 1 86 VAL H . . 5.100 4.372 3.428 5.029 . 0 0 "[ . 1 . 2]" 1
865 1 86 VAL H 1 86 VAL HB . . 3.680 2.483 2.344 2.654 . 0 0 "[ . 1 . 2]" 1
866 1 86 VAL H 1 86 VAL MG1 . . 3.960 3.805 3.743 3.877 . 0 0 "[ . 1 . 2]" 1
867 1 86 VAL H 1 86 VAL QG . . 3.310 2.233 2.122 2.343 . 0 0 "[ . 1 . 2]" 1
868 1 86 VAL H 1 86 VAL MG2 . . 3.960 2.249 2.133 2.365 . 0 0 "[ . 1 . 2]" 1
869 1 86 VAL HA 1 86 VAL MG1 . . 3.570 2.465 2.302 2.584 . 0 0 "[ . 1 . 2]" 1
870 1 86 VAL HA 1 86 VAL QG . . 3.120 2.141 2.087 2.172 . 0 0 "[ . 1 . 2]" 1
871 1 86 VAL HA 1 86 VAL MG2 . . 3.570 2.356 2.292 2.438 . 0 0 "[ . 1 . 2]" 1
872 1 86 VAL HA 1 88 ALA H . . 5.690 4.443 4.129 4.652 . 0 0 "[ . 1 . 2]" 1
873 1 86 VAL HA 1 89 LEU H . . 4.210 3.382 2.993 3.554 . 0 0 "[ . 1 . 2]" 1
874 1 86 VAL HA 1 89 LEU HB2 . . 4.180 2.881 2.394 3.793 . 0 0 "[ . 1 . 2]" 1
875 1 86 VAL HA 1 89 LEU HB3 . . 4.180 3.444 2.340 4.210 0.030 5 0 "[ . 1 . 2]" 1
876 1 86 VAL HA 1 89 LEU QD . . 4.060 3.007 2.218 3.954 . 0 0 "[ . 1 . 2]" 1
877 1 86 VAL HB 1 87 SER H . . 3.980 2.660 2.518 2.914 . 0 0 "[ . 1 . 2]" 1
878 1 86 VAL HB 1 88 ALA H . . 5.420 5.202 4.979 5.358 . 0 0 "[ . 1 . 2]" 1
879 1 86 VAL QG 1 87 SER H . . 3.920 3.190 3.040 3.324 . 0 0 "[ . 1 . 2]" 1
880 1 86 VAL QG 1 89 LEU QB . . 3.530 3.370 2.775 3.545 0.015 15 0 "[ . 1 . 2]" 1
881 1 86 VAL QG 1 90 ILE MD . . 3.430 2.304 2.045 3.180 . 0 0 "[ . 1 . 2]" 1
882 1 86 VAL MG1 1 87 SER H . . 4.970 3.363 3.148 3.595 . 0 0 "[ . 1 . 2]" 1
883 1 86 VAL MG2 1 87 SER H . . 4.970 3.991 3.862 4.148 . 0 0 "[ . 1 . 2]" 1
884 1 87 SER H 1 87 SER QB . . 3.430 2.406 2.068 2.647 . 0 0 "[ . 1 . 2]" 1
885 1 87 SER HA 1 90 ILE H . . 4.640 3.406 3.131 3.747 . 0 0 "[ . 1 . 2]" 1
886 1 87 SER HA 1 90 ILE HB . . 4.020 2.602 2.381 2.863 . 0 0 "[ . 1 . 2]" 1
887 1 87 SER HA 1 90 ILE MD . . 4.090 4.014 3.465 4.109 0.019 12 0 "[ . 1 . 2]" 1
888 1 87 SER HA 1 90 ILE MG . . 4.120 3.550 3.004 4.149 0.029 12 0 "[ . 1 . 2]" 1
889 1 87 SER QB 1 88 ALA H . . 3.540 2.872 2.553 3.546 0.006 19 0 "[ . 1 . 2]" 1
890 1 88 ALA H 1 88 ALA MB . . 3.130 2.200 2.171 2.251 . 0 0 "[ . 1 . 2]" 1
891 1 88 ALA H 1 89 LEU H . . 3.640 2.700 2.586 2.838 . 0 0 "[ . 1 . 2]" 1
892 1 88 ALA H 1 89 LEU QB . . 5.280 4.436 4.218 4.708 . 0 0 "[ . 1 . 2]" 1
893 1 88 ALA MB 1 89 LEU H . . 3.480 2.630 2.468 2.792 . 0 0 "[ . 1 . 2]" 1
894 1 89 LEU H 1 89 LEU QB . . 3.570 2.196 2.036 2.344 . 0 0 "[ . 1 . 2]" 1
895 1 89 LEU H 1 89 LEU MD1 . . 4.560 3.819 3.388 4.351 . 0 0 "[ . 1 . 2]" 1
896 1 89 LEU H 1 89 LEU QD . . 3.790 3.319 2.562 3.734 . 0 0 "[ . 1 . 2]" 1
897 1 89 LEU H 1 89 LEU MD2 . . 4.560 3.775 2.595 4.181 . 0 0 "[ . 1 . 2]" 1
898 1 89 LEU H 1 89 LEU HG . . 4.920 3.582 2.467 4.528 . 0 0 "[ . 1 . 2]" 1
899 1 89 LEU HA 1 89 LEU MD1 . . 4.570 2.949 2.097 3.892 . 0 0 "[ . 1 . 2]" 1
900 1 89 LEU HA 1 89 LEU QD . . 3.620 2.131 1.992 2.215 . 0 0 "[ . 1 . 2]" 1
901 1 89 LEU HA 1 89 LEU MD2 . . 4.570 2.801 2.139 3.871 . 0 0 "[ . 1 . 2]" 1
902 1 89 LEU HA 1 92 TYR H . . 4.280 3.144 2.906 3.492 . 0 0 "[ . 1 . 2]" 1
903 1 89 LEU HA 1 92 TYR HB2 . . 4.440 3.419 2.883 4.064 . 0 0 "[ . 1 . 2]" 1
904 1 89 LEU HA 1 92 TYR QB . . 3.810 2.473 2.278 2.789 . 0 0 "[ . 1 . 2]" 1
905 1 89 LEU HA 1 92 TYR HB3 . . 4.440 2.559 2.315 3.136 . 0 0 "[ . 1 . 2]" 1
906 1 89 LEU QD 1 90 ILE H . . 5.690 4.161 3.924 4.342 . 0 0 "[ . 1 . 2]" 1
907 1 90 ILE H 1 90 ILE HB . . 3.650 2.291 2.085 2.688 . 0 0 "[ . 1 . 2]" 1
908 1 90 ILE H 1 90 ILE MD . . 3.200 2.753 2.520 3.219 0.019 15 0 "[ . 1 . 2]" 1
909 1 90 ILE H 1 90 ILE HG12 . . 4.830 3.640 2.302 4.563 . 0 0 "[ . 1 . 2]" 1
910 1 90 ILE H 1 90 ILE QG . . 4.090 3.349 2.283 4.026 . 0 0 "[ . 1 . 2]" 1
911 1 90 ILE H 1 90 ILE HG13 . . 4.830 4.147 3.772 4.479 . 0 0 "[ . 1 . 2]" 1
912 1 90 ILE H 1 90 ILE MG . . 3.850 3.615 3.160 3.850 0.000 8 0 "[ . 1 . 2]" 1
913 1 90 ILE H 1 91 SER H . . 4.020 2.600 2.458 2.701 . 0 0 "[ . 1 . 2]" 1
914 1 90 ILE H 1 92 TYR H . . 3.890 3.949 3.913 3.994 0.104 15 0 "[ . 1 . 2]" 1
915 1 90 ILE HA 1 90 ILE MD . . 3.470 2.217 2.080 2.341 . 0 0 "[ . 1 . 2]" 1
916 1 90 ILE HA 1 90 ILE MG . . 3.560 2.712 2.344 3.115 . 0 0 "[ . 1 . 2]" 1
917 1 90 ILE HA 1 93 LEU MD1 . . 4.900 3.797 2.458 4.916 0.016 14 0 "[ . 1 . 2]" 1
918 1 90 ILE HA 1 93 LEU QD . . 3.940 3.264 2.452 3.865 . 0 0 "[ . 1 . 2]" 1
919 1 90 ILE HA 1 93 LEU MD2 . . 4.900 4.101 3.173 4.928 0.028 15 0 "[ . 1 . 2]" 1
920 1 90 ILE HA 1 94 GLU H . . 5.760 4.187 3.505 4.991 . 0 0 "[ . 1 . 2]" 1
921 1 90 ILE HB 1 90 ILE MD . . 3.340 2.753 2.234 3.276 . 0 0 "[ . 1 . 2]" 1
922 1 90 ILE HB 1 91 SER H . . 3.970 2.928 2.445 3.441 . 0 0 "[ . 1 . 2]" 1
923 1 90 ILE MD 1 93 LEU QD . . 3.500 3.168 2.334 3.515 0.015 12 0 "[ . 1 . 2]" 1
924 1 90 ILE QG 1 91 SER H . . 5.090 4.442 3.915 4.745 . 0 0 "[ . 1 . 2]" 1
925 1 90 ILE MG 1 91 SER H . . 4.030 3.024 2.441 3.723 . 0 0 "[ . 1 . 2]" 1
926 1 91 SER H 1 94 GLU H . . 5.760 4.934 4.671 5.257 . 0 0 "[ . 1 . 2]" 1
927 1 92 TYR H 1 92 TYR HB2 . . 4.170 2.663 2.316 2.946 . 0 0 "[ . 1 . 2]" 1
928 1 92 TYR H 1 92 TYR QB . . 3.610 2.238 2.144 2.297 . 0 0 "[ . 1 . 2]" 1
929 1 92 TYR H 1 92 TYR HB3 . . 4.170 2.444 2.225 2.720 . 0 0 "[ . 1 . 2]" 1
930 1 92 TYR H 1 92 TYR QD . . 5.200 4.224 4.118 4.297 . 0 0 "[ . 1 . 2]" 1
931 1 92 TYR H 1 95 GLU H . . 4.970 4.886 4.688 5.031 0.061 11 0 "[ . 1 . 2]" 1
932 1 92 TYR HA 1 92 TYR QD . . 4.530 2.402 2.082 2.752 . 0 0 "[ . 1 . 2]" 1
933 1 92 TYR HA 1 95 GLU H . . 4.700 3.626 3.229 4.724 0.024 11 0 "[ . 1 . 2]" 1
934 1 92 TYR HA 1 96 GLU H . . 4.640 3.791 3.373 4.324 . 0 0 "[ . 1 . 2]" 1
935 1 92 TYR QB 1 93 LEU H . . 3.850 2.657 2.433 2.883 . 0 0 "[ . 1 . 2]" 1
936 1 92 TYR HB2 1 93 LEU H . . 4.470 4.003 3.778 4.153 . 0 0 "[ . 1 . 2]" 1
937 1 92 TYR HB3 1 93 LEU H . . 4.470 2.698 2.460 2.954 . 0 0 "[ . 1 . 2]" 1
938 1 92 TYR QD 1 93 LEU H . . 5.280 3.808 3.317 4.311 . 0 0 "[ . 1 . 2]" 1
939 1 92 TYR QD 1 93 LEU QD . . 5.200 2.810 2.191 3.987 . 0 0 "[ . 1 . 2]" 1
940 1 93 LEU H 1 93 LEU MD1 . . 4.210 2.909 2.331 3.939 . 0 0 "[ . 1 . 2]" 1
941 1 93 LEU H 1 93 LEU MD2 . . 4.210 3.746 3.141 4.060 . 0 0 "[ . 1 . 2]" 1
942 1 93 LEU H 1 93 LEU HG . . 4.170 3.611 2.186 4.274 0.104 14 0 "[ . 1 . 2]" 1
943 1 93 LEU H 1 94 GLU H . . 4.170 2.821 2.664 2.985 . 0 0 "[ . 1 . 2]" 1
944 1 93 LEU HA 1 93 LEU MD1 . . 4.230 2.802 2.161 3.910 . 0 0 "[ . 1 . 2]" 1
945 1 93 LEU HA 1 93 LEU QD . . 3.360 2.266 2.099 2.521 . 0 0 "[ . 1 . 2]" 1
946 1 93 LEU HA 1 93 LEU MD2 . . 4.230 3.302 2.108 3.917 . 0 0 "[ . 1 . 2]" 1
947 1 93 LEU HA 1 96 GLU H . . 4.790 3.780 3.162 4.711 . 0 0 "[ . 1 . 2]" 1
948 1 93 LEU HA 1 96 GLU QG . . 5.210 4.331 2.005 5.247 0.037 11 0 "[ . 1 . 2]" 1
949 1 93 LEU QB 1 94 GLU H . . 4.230 2.846 2.485 3.501 . 0 0 "[ . 1 . 2]" 1
950 1 93 LEU HB2 1 94 GLU H . . 4.810 3.092 2.717 3.852 . 0 0 "[ . 1 . 2]" 1
951 1 93 LEU HB3 1 94 GLU H . . 4.810 3.478 2.516 4.073 . 0 0 "[ . 1 . 2]" 1
952 1 93 LEU QD 1 94 GLU H . . 5.230 4.176 3.859 4.431 . 0 0 "[ . 1 . 2]" 1
953 1 93 LEU HG 1 94 GLU H . . 5.760 4.964 3.755 5.443 . 0 0 "[ . 1 . 2]" 1
954 1 94 GLU H 1 94 GLU QB . . 3.540 2.286 2.111 2.705 . 0 0 "[ . 1 . 2]" 1
955 1 94 GLU H 1 94 GLU QG . . 4.050 3.552 2.274 4.078 0.028 17 0 "[ . 1 . 2]" 1
956 1 94 GLU H 1 96 GLU H . . 5.500 4.293 3.688 4.776 . 0 0 "[ . 1 . 2]" 1
957 1 94 GLU HA 1 97 THR HG1 . . 5.340 3.424 2.647 3.829 . 0 0 "[ . 1 . 2]" 1
958 1 94 GLU HA 1 97 THR MG . . 4.240 3.921 2.311 4.265 0.025 11 0 "[ . 1 . 2]" 1
959 1 95 GLU H 1 95 GLU HB2 . . 3.750 2.586 2.047 3.773 0.023 11 0 "[ . 1 . 2]" 1
960 1 95 GLU H 1 95 GLU QB . . 3.210 2.400 2.016 2.974 . 0 0 "[ . 1 . 2]" 1
961 1 95 GLU H 1 95 GLU HB3 . . 3.750 3.454 2.401 3.660 . 0 0 "[ . 1 . 2]" 1
962 1 95 GLU H 1 95 GLU HG2 . . 4.090 3.183 2.167 4.096 0.006 5 0 "[ . 1 . 2]" 1
963 1 95 GLU H 1 95 GLU HG3 . . 4.090 3.135 2.372 3.989 . 0 0 "[ . 1 . 2]" 1
964 1 95 GLU H 1 96 GLU H . . 4.270 2.675 2.372 2.861 . 0 0 "[ . 1 . 2]" 1
965 1 95 GLU H 1 96 GLU QB . . 5.180 4.522 4.153 4.946 . 0 0 "[ . 1 . 2]" 1
966 1 95 GLU H 1 97 THR H . . 5.590 4.108 3.865 4.346 . 0 0 "[ . 1 . 2]" 1
967 1 95 GLU HA 1 95 GLU HG2 . . 4.170 2.822 2.094 4.194 0.024 4 0 "[ . 1 . 2]" 1
968 1 95 GLU HA 1 95 GLU QG . . 3.620 2.648 2.070 3.467 . 0 0 "[ . 1 . 2]" 1
969 1 95 GLU HA 1 95 GLU HG3 . . 4.170 3.335 2.622 3.827 . 0 0 "[ . 1 . 2]" 1
970 1 95 GLU HA 1 98 ALA H . . 4.170 3.169 2.673 3.604 . 0 0 "[ . 1 . 2]" 1
971 1 95 GLU HA 1 98 ALA MB . . 3.560 2.576 2.088 3.194 . 0 0 "[ . 1 . 2]" 1
972 1 95 GLU QB 1 96 GLU H . . 4.180 2.980 2.489 3.777 . 0 0 "[ . 1 . 2]" 1
973 1 95 GLU QG 1 96 GLU H . . 5.010 4.112 2.371 4.573 . 0 0 "[ . 1 . 2]" 1
974 1 96 GLU H 1 96 GLU QB . . 3.820 2.285 2.164 2.554 . 0 0 "[ . 1 . 2]" 1
975 1 96 GLU H 1 96 GLU HG2 . . 4.800 4.019 2.325 4.678 . 0 0 "[ . 1 . 2]" 1
976 1 96 GLU H 1 96 GLU QG . . 4.190 3.574 2.075 4.113 . 0 0 "[ . 1 . 2]" 1
977 1 96 GLU H 1 96 GLU HG3 . . 4.800 4.213 2.103 4.576 . 0 0 "[ . 1 . 2]" 1
978 1 96 GLU H 1 97 THR H . . 4.330 2.673 2.532 2.770 . 0 0 "[ . 1 . 2]" 1
979 1 96 GLU H 1 98 ALA H . . 4.900 4.183 3.954 4.353 . 0 0 "[ . 1 . 2]" 1
980 1 96 GLU HA 1 99 ARG H . . 4.170 3.367 2.750 4.154 . 0 0 "[ . 1 . 2]" 1
981 1 96 GLU HA 1 99 ARG QB . . 3.550 2.751 2.075 3.536 . 0 0 "[ . 1 . 2]" 1
982 1 96 GLU QB 1 97 THR H . . 4.440 2.819 2.593 3.510 . 0 0 "[ . 1 . 2]" 1
983 1 97 THR H 1 97 THR HB . . 3.950 2.675 2.299 3.725 . 0 0 "[ . 1 . 2]" 1
984 1 97 THR H 1 97 THR HG1 . . 4.720 2.355 2.097 2.618 . 0 0 "[ . 1 . 2]" 1
985 1 97 THR H 1 97 THR MG . . 4.220 3.546 2.133 3.819 . 0 0 "[ . 1 . 2]" 1
986 1 97 THR H 1 98 ALA H . . 4.070 2.700 2.186 2.899 . 0 0 "[ . 1 . 2]" 1
987 1 97 THR HA 1 97 THR MG . . 3.080 2.466 2.298 2.652 . 0 0 "[ . 1 . 2]" 1
988 1 97 THR HA 1 100 LEU H . . 4.410 3.745 3.078 4.370 . 0 0 "[ . 1 . 2]" 1
989 1 97 THR HA 1 100 LEU QB . . 4.090 3.585 2.469 4.097 0.007 4 0 "[ . 1 . 2]" 1
990 1 97 THR HB 1 98 ALA H . . 3.910 2.917 2.360 3.922 0.012 18 0 "[ . 1 . 2]" 1
991 1 97 THR HG1 1 98 ALA H . . 5.030 4.039 2.211 4.542 . 0 0 "[ . 1 . 2]" 1
992 1 97 THR MG 1 98 ALA H . . 3.570 3.539 3.282 3.653 0.083 2 0 "[ . 1 . 2]" 1
993 1 98 ALA H 1 98 ALA MB . . 3.040 2.223 2.168 2.264 . 0 0 "[ . 1 . 2]" 1
994 1 98 ALA MB 1 99 ARG H . . 4.400 2.873 2.510 3.378 . 0 0 "[ . 1 . 2]" 1
995 1 99 ARG H 1 99 ARG QB . . 3.600 2.391 2.225 2.749 . 0 0 "[ . 1 . 2]" 1
996 1 99 ARG H 1 99 ARG QD . . 5.210 3.980 2.378 5.015 . 0 0 "[ . 1 . 2]" 1
997 1 99 ARG H 1 100 LEU H . . 3.880 2.565 2.187 2.873 . 0 0 "[ . 1 . 2]" 1
998 1 99 ARG HA 1 99 ARG QD . . 5.050 3.516 2.053 4.292 . 0 0 "[ . 1 . 2]" 1
999 1 99 ARG HA 1 101 GLN H . . 4.540 4.046 3.222 4.642 0.102 4 0 "[ . 1 . 2]" 1
1000 1 99 ARG QB 1 100 LEU H . . 3.840 2.983 2.396 3.896 0.056 5 0 "[ . 1 . 2]" 1
1001 1 100 LEU H 1 100 LEU HB2 . . 3.880 2.463 2.046 3.057 . 0 0 "[ . 1 . 2]" 1
1002 1 100 LEU H 1 100 LEU QB . . 3.370 2.392 2.018 2.945 . 0 0 "[ . 1 . 2]" 1
1003 1 100 LEU H 1 100 LEU HB3 . . 3.880 3.335 2.635 3.890 0.010 17 0 "[ . 1 . 2]" 1
1004 1 100 LEU H 1 100 LEU MD1 . . 4.850 4.229 4.081 4.357 . 0 0 "[ . 1 . 2]" 1
1005 1 100 LEU H 1 100 LEU QD . . 3.880 3.174 2.437 3.689 . 0 0 "[ . 1 . 2]" 1
1006 1 100 LEU H 1 100 LEU MD2 . . 4.850 3.307 2.455 4.080 . 0 0 "[ . 1 . 2]" 1
1007 1 100 LEU HA 1 100 LEU MD1 . . 2.500 2.329 2.162 2.518 0.018 8 0 "[ . 1 . 2]" 1
1008 1 100 LEU HA 1 100 LEU MD2 . . 2.500 2.213 2.073 2.511 0.011 1 0 "[ . 1 . 2]" 1
1009 1 100 LEU HB2 1 100 LEU MD1 . . 3.060 3.158 3.140 3.171 0.111 17 0 "[ . 1 . 2]" 1
1010 1 100 LEU HB2 1 100 LEU MD2 . . 3.060 2.241 2.141 2.475 . 0 0 "[ . 1 . 2]" 1
1011 1 100 LEU HB3 1 100 LEU MD1 . . 3.060 2.406 2.180 2.609 . 0 0 "[ . 1 . 2]" 1
1012 1 100 LEU HB3 1 100 LEU MD2 . . 3.060 3.146 3.124 3.164 0.104 16 0 "[ . 1 . 2]" 1
1013 1 100 LEU QD 1 101 GLN H . . 4.190 3.809 3.139 4.167 . 0 0 "[ . 1 . 2]" 1
1014 1 101 GLN H 1 101 GLN HB2 . . 3.810 2.834 2.213 3.795 . 0 0 "[ . 1 . 2]" 1
1015 1 101 GLN H 1 101 GLN HB3 . . 3.810 3.474 2.461 3.860 0.050 20 0 "[ . 1 . 2]" 1
1016 1 101 GLN H 1 101 GLN HG2 . . 4.490 3.130 1.946 4.359 . 0 0 "[ . 1 . 2]" 1
1017 1 101 GLN H 1 101 GLN QG . . 3.840 2.582 1.920 3.857 0.017 14 0 "[ . 1 . 2]" 1
1018 1 101 GLN H 1 101 GLN HG3 . . 4.490 3.270 2.122 4.492 0.002 14 0 "[ . 1 . 2]" 1
1019 1 101 GLN HA 1 101 GLN HG2 . . 4.080 2.973 2.217 3.849 . 0 0 "[ . 1 . 2]" 1
1020 1 101 GLN HA 1 101 GLN HG3 . . 4.080 3.431 2.814 3.903 . 0 0 "[ . 1 . 2]" 1
1021 1 102 THR H 1 102 THR HB . . 3.850 3.483 2.657 3.904 0.054 13 0 "[ . 1 . 2]" 1
1022 1 102 THR H 1 102 THR MG . . 4.570 3.205 2.287 4.048 . 0 0 "[ . 1 . 2]" 1
1023 1 102 THR HA 1 102 THR MG . . 3.460 2.601 2.219 3.276 . 0 0 "[ . 1 . 2]" 1
1024 1 102 THR HA 1 103 PRO HD2 . . 3.420 2.368 2.109 2.788 . 0 0 "[ . 1 . 2]" 1
1025 1 102 THR HA 1 103 PRO QD . . 2.990 2.236 1.988 2.676 . 0 0 "[ . 1 . 2]" 1
1026 1 102 THR HA 1 103 PRO HD3 . . 3.420 2.939 2.041 3.447 0.027 11 0 "[ . 1 . 2]" 1
1027 1 102 THR HA 1 104 VAL HB . . 3.980 4.001 3.783 4.054 0.074 13 0 "[ . 1 . 2]" 1
1028 1 103 PRO HA 1 104 VAL H . . 3.400 2.846 2.232 3.443 0.043 3 0 "[ . 1 . 2]" 1
1029 1 104 VAL H 1 104 VAL HB . . 4.190 2.604 2.165 3.366 . 0 0 "[ . 1 . 2]" 1
1030 1 104 VAL H 1 104 VAL QG . . 4.100 2.491 1.991 3.275 . 0 0 "[ . 1 . 2]" 1
1031 1 104 VAL HA 1 104 VAL QG . . 3.330 2.201 2.127 2.317 . 0 0 "[ . 1 . 2]" 1
1032 1 105 THR HA 1 105 THR MG . . 3.630 2.523 2.259 3.271 . 0 0 "[ . 1 . 2]" 1
1033 1 109 ILE H 1 109 ILE HG12 . . 5.760 3.517 2.164 4.741 . 0 0 "[ . 1 . 2]" 1
1034 1 109 ILE H 1 109 ILE HG13 . . 5.760 3.658 2.060 4.796 . 0 0 "[ . 1 . 2]" 1
1035 1 109 ILE HA 1 109 ILE MD . . 3.830 3.376 2.181 3.959 0.129 7 0 "[ . 1 . 2]" 1
1036 1 109 ILE HA 1 110 PRO QD . . 3.490 2.206 1.948 3.551 0.061 16 0 "[ . 1 . 2]" 1
1037 1 109 ILE MD 1 109 ILE MG . . 2.500 2.126 2.070 2.196 . 0 0 "[ . 1 . 2]" 1
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