NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
616138 |
5ttb   |
30199 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ttb
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 1097
_Distance_constraint_stats_list.Viol_count 1715
_Distance_constraint_stats_list.Viol_total 2552.221
_Distance_constraint_stats_list.Viol_max 1.067
_Distance_constraint_stats_list.Viol_rms 0.0283
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0744
_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 ASN 0.052 0.036 5 0 "[ . 1 . 2]"
1 5 ARG 4.818 0.320 15 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 3.580 0.193 15 0 "[ . 1 . 2]"
1 8 ALA 0.312 0.068 19 0 "[ . 1 . 2]"
1 9 ASP 0.890 0.107 18 0 "[ . 1 . 2]"
1 10 TYR 2.651 0.191 15 0 "[ . 1 . 2]"
1 11 GLN 1.130 0.156 10 0 "[ . 1 . 2]"
1 12 GLN 0.368 0.067 17 0 "[ . 1 . 2]"
1 13 LEU 12.280 1.067 11 1 "[ . 1+ . 2]"
1 14 ARG 7.113 0.332 1 0 "[ . 1 . 2]"
1 15 GLU 1.855 0.183 6 0 "[ . 1 . 2]"
1 16 ARG 0.665 0.082 7 0 "[ . 1 . 2]"
1 17 LEU 5.021 0.332 1 0 "[ . 1 . 2]"
1 18 ILE 3.624 0.192 15 0 "[ . 1 . 2]"
1 19 GLN 0.642 0.176 20 0 "[ . 1 . 2]"
1 20 GLU 1.140 0.094 8 0 "[ . 1 . 2]"
1 21 LEU 4.395 0.221 9 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 6.570 0.309 16 0 "[ . 1 . 2]"
1 24 THR 0.209 0.040 4 0 "[ . 1 . 2]"
1 25 PRO 1.551 0.072 6 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 4.043 0.139 4 0 "[ . 1 . 2]"
1 28 LEU 5.620 0.155 1 0 "[ . 1 . 2]"
1 29 HIS 2.473 0.137 16 0 "[ . 1 . 2]"
1 31 GLU 1.980 0.137 16 0 "[ . 1 . 2]"
1 32 SER 0.020 0.013 13 0 "[ . 1 . 2]"
1 33 ASN 0.406 0.202 1 0 "[ . 1 . 2]"
1 34 LEU 8.026 0.221 9 0 "[ . 1 . 2]"
1 35 ILE 2.781 0.107 12 0 "[ . 1 . 2]"
1 36 GLN 1.463 0.202 1 0 "[ . 1 . 2]"
1 37 ALA 0.149 0.059 16 0 "[ . 1 . 2]"
1 38 GLY 0.988 0.097 14 0 "[ . 1 . 2]"
1 39 LEU 11.278 0.309 16 0 "[ . 1 . 2]"
1 40 ASP 0.610 0.216 13 0 "[ . 1 . 2]"
1 41 SER 2.469 0.168 4 0 "[ . 1 . 2]"
1 42 ILE 4.488 0.263 2 0 "[ . 1 . 2]"
1 43 ARG 2.046 0.216 13 0 "[ . 1 . 2]"
1 44 LEU 7.301 0.168 4 0 "[ . 1 . 2]"
1 45 MET 2.097 0.134 9 0 "[ . 1 . 2]"
1 46 ARG 4.950 0.263 2 0 "[ . 1 . 2]"
1 47 TRP 5.487 0.179 13 0 "[ . 1 . 2]"
1 48 LEU 1.113 0.073 10 0 "[ . 1 . 2]"
1 49 HIS 0.057 0.020 17 0 "[ . 1 . 2]"
1 50 TRP 2.140 0.103 20 0 "[ . 1 . 2]"
1 51 PHE 1.877 0.135 9 0 "[ . 1 . 2]"
1 52 ARG 3.043 0.232 13 0 "[ . 1 . 2]"
1 53 LYS 0.386 0.090 9 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TYR 2.929 0.140 15 0 "[ . 1 . 2]"
1 57 ARG 5.630 0.313 12 0 "[ . 1 . 2]"
1 58 LEU 3.053 0.232 13 0 "[ . 1 . 2]"
1 59 THR 0.428 0.105 10 0 "[ . 1 . 2]"
1 60 LEU 10.969 0.274 16 0 "[ . 1 . 2]"
1 61 ARG 1.933 0.262 20 0 "[ . 1 . 2]"
1 62 GLU 6.414 0.251 14 0 "[ . 1 . 2]"
1 63 LEU 2.247 0.206 2 0 "[ . 1 . 2]"
1 64 TYR 2.849 0.126 2 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.224 0.054 5 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 2.491 0.160 14 0 "[ . 1 . 2]"
1 69 LEU 9.423 0.194 15 0 "[ . 1 . 2]"
1 70 ALA 1.477 0.155 1 0 "[ . 1 . 2]"
1 71 ALA 1.529 0.144 12 0 "[ . 1 . 2]"
1 72 TRP 4.387 0.179 10 0 "[ . 1 . 2]"
1 73 ASN 0.241 0.083 15 0 "[ . 1 . 2]"
1 74 GLN 1.638 0.148 14 0 "[ . 1 . 2]"
1 75 LEU 5.200 0.163 1 0 "[ . 1 . 2]"
1 76 MET 13.139 1.067 11 1 "[ . 1+ . 2]"
1 77 LEU 7.751 0.320 15 0 "[ . 1 . 2]"
1 78 SER 0.137 0.049 11 0 "[ . 1 . 2]"
1 79 ARG 1.665 0.284 19 0 "[ . 1 . 2]"
1 80 SER 2.141 0.284 19 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.152 0.058 11 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 ASN HA 1 5 ARG H . . 3.490 2.588 2.078 3.157 . 0 0 "[ . 1 . 2]" 1
2 1 4 ASN QB 1 7 ALA MB . . 4.150 3.025 1.774 4.186 0.036 5 0 "[ . 1 . 2]" 1
3 1 4 ASN HB2 1 5 ARG H . . 5.500 4.154 2.052 4.643 . 0 0 "[ . 1 . 2]" 1
4 1 4 ASN HB3 1 5 ARG H . . 5.500 4.199 3.460 4.682 . 0 0 "[ . 1 . 2]" 1
5 1 5 ARG H 1 5 ARG QB . . 3.820 2.764 2.107 3.211 . 0 0 "[ . 1 . 2]" 1
6 1 5 ARG H 1 5 ARG QG . . 4.700 3.042 1.856 3.943 . 0 0 "[ . 1 . 2]" 1
7 1 5 ARG HA 1 5 ARG QD . . 3.550 3.447 2.049 3.824 0.274 8 0 "[ . 1 . 2]" 1
8 1 5 ARG HA 1 5 ARG QG . . 3.240 3.046 2.344 3.438 0.198 3 0 "[ . 1 . 2]" 1
9 1 5 ARG HA 1 8 ALA MB . . 4.510 3.717 2.831 4.578 0.068 19 0 "[ . 1 . 2]" 1
10 1 5 ARG QB 1 5 ARG QD . . 3.010 2.339 2.129 2.761 . 0 0 "[ . 1 . 2]" 1
11 1 5 ARG QB 1 5 ARG QG . . 2.400 1.995 1.959 2.077 . 0 0 "[ . 1 . 2]" 1
12 1 5 ARG QB 1 6 HIS H . . 4.460 2.776 1.809 3.618 . 0 0 "[ . 1 . 2]" 1
13 1 5 ARG QD 1 77 LEU HG . . 3.260 3.303 2.811 3.580 0.320 15 0 "[ . 1 . 2]" 1
14 1 5 ARG QG 1 6 HIS H . . 5.160 3.083 1.625 4.892 . 0 0 "[ . 1 . 2]" 1
15 1 6 HIS H 1 6 HIS HB2 . . 4.190 2.452 2.181 2.721 . 0 0 "[ . 1 . 2]" 1
16 1 6 HIS H 1 6 HIS HB3 . . 4.190 3.353 2.553 3.676 . 0 0 "[ . 1 . 2]" 1
17 1 6 HIS QB 1 7 ALA H . . 4.430 2.764 2.388 3.191 . 0 0 "[ . 1 . 2]" 1
18 1 7 ALA H 1 7 ALA MB . . 3.440 2.235 2.146 2.290 . 0 0 "[ . 1 . 2]" 1
19 1 7 ALA HA 1 10 TYR H . . 5.490 2.987 2.551 3.652 . 0 0 "[ . 1 . 2]" 1
20 1 7 ALA HA 1 11 GLN H . . 5.500 4.944 4.106 5.656 0.156 10 0 "[ . 1 . 2]" 1
21 1 7 ALA HA 1 77 LEU QD . . 3.990 3.570 2.845 4.122 0.132 8 0 "[ . 1 . 2]" 1
22 1 7 ALA MB 1 8 ALA H . . 3.450 3.143 2.962 3.260 . 0 0 "[ . 1 . 2]" 1
23 1 7 ALA MB 1 56 TYR QE . . 5.500 4.886 3.608 5.640 0.140 15 0 "[ . 1 . 2]" 1
24 1 7 ALA MB 1 76 MET ME . . 4.260 4.188 3.614 4.417 0.157 13 0 "[ . 1 . 2]" 1
25 1 7 ALA MB 1 77 LEU H . . 3.770 3.834 3.603 3.963 0.193 15 0 "[ . 1 . 2]" 1
26 1 7 ALA MB 1 77 LEU QD . . 3.500 1.881 1.746 2.052 . 0 0 "[ . 1 . 2]" 1
27 1 8 ALA H 1 8 ALA MB . . 3.450 2.229 2.164 2.246 . 0 0 "[ . 1 . 2]" 1
28 1 8 ALA H 1 9 ASP H . . 4.240 2.840 2.677 3.105 . 0 0 "[ . 1 . 2]" 1
29 1 8 ALA HA 1 11 GLN H . . 5.500 3.322 3.015 3.672 . 0 0 "[ . 1 . 2]" 1
30 1 8 ALA HA 1 11 GLN QB . . 4.760 3.008 2.457 3.654 . 0 0 "[ . 1 . 2]" 1
31 1 8 ALA HA 1 12 GLN H . . 5.500 5.338 4.779 5.567 0.067 17 0 "[ . 1 . 2]" 1
32 1 8 ALA MB 1 9 ASP H . . 4.000 2.779 2.642 2.936 . 0 0 "[ . 1 . 2]" 1
33 1 8 ALA MB 1 10 TYR H . . 5.500 4.510 4.321 4.634 . 0 0 "[ . 1 . 2]" 1
34 1 8 ALA MB 1 11 GLN H . . 5.500 4.392 4.079 4.804 . 0 0 "[ . 1 . 2]" 1
35 1 9 ASP H 1 10 TYR H . . 4.170 2.534 2.287 2.784 . 0 0 "[ . 1 . 2]" 1
36 1 9 ASP H 1 56 TYR QE . . 5.500 4.350 3.663 4.907 . 0 0 "[ . 1 . 2]" 1
37 1 9 ASP HA 1 12 GLN H . . 5.480 3.641 3.287 4.015 . 0 0 "[ . 1 . 2]" 1
38 1 9 ASP HA 1 13 LEU H . . 5.500 5.190 4.702 5.510 0.010 6 0 "[ . 1 . 2]" 1
39 1 9 ASP QB 1 10 TYR H . . 4.440 2.570 2.300 2.930 . 0 0 "[ . 1 . 2]" 1
40 1 9 ASP QB 1 50 TRP HH2 . . 4.130 3.852 3.325 4.188 0.058 1 0 "[ . 1 . 2]" 1
41 1 9 ASP QB 1 76 MET ME . . 3.190 3.115 2.357 3.297 0.107 18 0 "[ . 1 . 2]" 1
42 1 10 TYR H 1 10 TYR QB . . 3.400 2.274 2.199 2.328 . 0 0 "[ . 1 . 2]" 1
43 1 10 TYR H 1 10 TYR QD . . 5.500 4.216 4.138 4.272 . 0 0 "[ . 1 . 2]" 1
44 1 10 TYR H 1 11 GLN H . . 4.260 2.626 2.499 2.783 . 0 0 "[ . 1 . 2]" 1
45 1 10 TYR H 1 12 GLN H . . 5.500 4.309 4.015 4.663 . 0 0 "[ . 1 . 2]" 1
46 1 10 TYR H 1 76 MET ME . . 5.220 3.143 2.549 3.431 . 0 0 "[ . 1 . 2]" 1
47 1 10 TYR HA 1 10 TYR QD . . 3.910 2.743 2.363 2.917 . 0 0 "[ . 1 . 2]" 1
48 1 10 TYR HA 1 13 LEU H . . 4.720 2.965 2.733 3.243 . 0 0 "[ . 1 . 2]" 1
49 1 10 TYR HA 1 13 LEU QB . . 3.440 2.375 2.106 2.614 . 0 0 "[ . 1 . 2]" 1
50 1 10 TYR HA 1 13 LEU QD . . 4.330 3.317 3.169 3.455 . 0 0 "[ . 1 . 2]" 1
51 1 10 TYR HA 1 14 ARG H . . 5.500 4.290 3.840 5.135 . 0 0 "[ . 1 . 2]" 1
52 1 10 TYR HA 1 76 MET ME . . 3.470 2.802 2.401 3.289 . 0 0 "[ . 1 . 2]" 1
53 1 10 TYR QB 1 11 GLN H . . 3.940 2.945 2.615 3.147 . 0 0 "[ . 1 . 2]" 1
54 1 10 TYR QB 1 11 GLN HA . . 5.500 4.171 3.879 4.430 . 0 0 "[ . 1 . 2]" 1
55 1 10 TYR QB 1 76 MET ME . . 3.550 2.191 2.050 2.383 . 0 0 "[ . 1 . 2]" 1
56 1 10 TYR QD 1 11 GLN H . . 5.500 4.081 3.823 4.357 . 0 0 "[ . 1 . 2]" 1
57 1 10 TYR QD 1 11 GLN HA . . 5.450 3.703 3.205 4.294 . 0 0 "[ . 1 . 2]" 1
58 1 10 TYR QD 1 11 GLN QG . . 5.500 4.973 3.660 5.605 0.105 13 0 "[ . 1 . 2]" 1
59 1 10 TYR QD 1 13 LEU MD1 . . 4.320 2.348 2.048 2.686 . 0 0 "[ . 1 . 2]" 1
60 1 10 TYR QD 1 13 LEU QD . . 3.620 2.290 2.021 2.599 . 0 0 "[ . 1 . 2]" 1
61 1 10 TYR QD 1 13 LEU MD2 . . 4.320 3.246 2.695 3.472 . 0 0 "[ . 1 . 2]" 1
62 1 10 TYR QD 1 14 ARG QD . . 3.570 3.441 2.439 3.761 0.191 15 0 "[ . 1 . 2]" 1
63 1 10 TYR QD 1 69 LEU MD1 . . 5.500 5.073 3.362 5.579 0.079 10 0 "[ . 1 . 2]" 1
64 1 10 TYR QD 1 69 LEU MD2 . . 5.500 4.648 3.404 5.526 0.026 8 0 "[ . 1 . 2]" 1
65 1 10 TYR QD 1 73 ASN HB2 . . 4.890 3.127 2.634 3.589 . 0 0 "[ . 1 . 2]" 1
66 1 10 TYR QD 1 73 ASN HB3 . . 4.890 4.652 4.218 4.973 0.083 15 0 "[ . 1 . 2]" 1
67 1 10 TYR QD 1 76 MET ME . . 4.090 2.152 1.850 2.905 . 0 0 "[ . 1 . 2]" 1
68 1 10 TYR QE 1 11 GLN HA . . 5.300 5.099 4.768 5.430 0.130 18 0 "[ . 1 . 2]" 1
69 1 10 TYR QE 1 13 LEU QB . . 3.750 3.728 3.420 3.868 0.118 13 0 "[ . 1 . 2]" 1
70 1 10 TYR QE 1 13 LEU QD . . 4.390 2.090 1.831 2.309 . 0 0 "[ . 1 . 2]" 1
71 1 10 TYR QE 1 14 ARG QD . . 4.060 2.562 1.906 3.330 . 0 0 "[ . 1 . 2]" 1
72 1 10 TYR QE 1 69 LEU QB . . 4.620 3.346 2.323 4.692 0.072 8 0 "[ . 1 . 2]" 1
73 1 10 TYR QE 1 69 LEU MD1 . . 4.420 3.468 2.055 4.118 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR QE 1 69 LEU QD . . 3.850 2.626 1.703 3.246 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR QE 1 69 LEU MD2 . . 4.420 2.955 1.706 4.115 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR QE 1 73 ASN H . . 5.500 3.747 3.278 4.017 . 0 0 "[ . 1 . 2]" 1
77 1 10 TYR QE 1 73 ASN HB2 . . 4.930 2.610 1.968 3.089 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR QE 1 73 ASN QB . . 4.290 2.583 1.958 3.049 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR QE 1 73 ASN HB3 . . 4.930 4.149 3.545 4.681 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLN H 1 11 GLN QB . . 3.370 2.326 2.184 2.597 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLN H 1 11 GLN QG . . 4.350 3.458 2.117 4.095 . 0 0 "[ . 1 . 2]" 1
82 1 11 GLN H 1 12 GLN H . . 3.930 2.639 2.457 2.959 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLN HA 1 14 ARG H . . 4.940 3.177 2.831 3.567 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLN QB 1 12 GLN H . . 3.900 2.789 2.291 3.132 . 0 0 "[ . 1 . 2]" 1
85 1 12 GLN H 1 12 GLN HB2 . . 3.820 2.533 2.286 3.680 . 0 0 "[ . 1 . 2]" 1
86 1 12 GLN H 1 12 GLN QB . . 3.240 2.337 2.102 2.526 . 0 0 "[ . 1 . 2]" 1
87 1 12 GLN H 1 12 GLN HB3 . . 3.820 3.192 2.198 3.650 . 0 0 "[ . 1 . 2]" 1
88 1 12 GLN HA 1 12 GLN QB . . 2.600 2.385 2.199 2.486 . 0 0 "[ . 1 . 2]" 1
89 1 12 GLN HA 1 12 GLN QG . . 4.020 2.714 2.274 3.335 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLN HA 1 14 ARG H . . 5.500 3.997 3.345 4.404 . 0 0 "[ . 1 . 2]" 1
91 1 12 GLN HA 1 15 GLU H . . 4.630 3.238 2.848 3.574 . 0 0 "[ . 1 . 2]" 1
92 1 12 GLN HA 1 15 GLU QB . . 2.840 2.600 2.044 2.882 0.042 9 0 "[ . 1 . 2]" 1
93 1 12 GLN QB 1 50 TRP HZ2 . . 3.940 2.449 1.907 3.869 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLN HB2 1 13 LEU H . . 4.290 3.305 2.532 4.241 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLN HB3 1 13 LEU H . . 4.290 3.465 2.476 4.051 . 0 0 "[ . 1 . 2]" 1
96 1 13 LEU H 1 13 LEU HB2 . . 3.730 2.788 2.660 2.901 . 0 0 "[ . 1 . 2]" 1
97 1 13 LEU H 1 13 LEU QB . . 3.240 2.332 2.258 2.399 . 0 0 "[ . 1 . 2]" 1
98 1 13 LEU H 1 13 LEU HB3 . . 3.730 2.503 2.360 2.576 . 0 0 "[ . 1 . 2]" 1
99 1 13 LEU H 1 13 LEU MD1 . . 5.500 4.311 4.242 4.377 . 0 0 "[ . 1 . 2]" 1
100 1 13 LEU H 1 13 LEU QD . . 4.480 3.744 3.649 3.810 . 0 0 "[ . 1 . 2]" 1
101 1 13 LEU H 1 13 LEU MD2 . . 5.500 4.111 3.979 4.198 . 0 0 "[ . 1 . 2]" 1
102 1 13 LEU H 1 50 TRP HH2 . . 5.480 2.919 2.528 3.560 . 0 0 "[ . 1 . 2]" 1
103 1 13 LEU H 1 50 TRP HZ2 . . 5.500 3.448 2.719 4.140 . 0 0 "[ . 1 . 2]" 1
104 1 13 LEU HA 1 13 LEU QD . . 3.590 3.149 3.043 3.201 . 0 0 "[ . 1 . 2]" 1
105 1 13 LEU HA 1 16 ARG H . . 5.500 3.526 3.096 3.854 . 0 0 "[ . 1 . 2]" 1
106 1 13 LEU HA 1 16 ARG QB . . 4.490 2.966 2.340 3.637 . 0 0 "[ . 1 . 2]" 1
107 1 13 LEU HA 1 47 TRP HH2 . . 3.670 3.104 2.298 3.682 0.012 12 0 "[ . 1 . 2]" 1
108 1 13 LEU QB 1 13 LEU QD . . 2.540 1.899 1.851 1.940 . 0 0 "[ . 1 . 2]" 1
109 1 13 LEU QB 1 14 ARG H . . 3.650 3.000 2.508 3.526 . 0 0 "[ . 1 . 2]" 1
110 1 13 LEU QB 1 17 LEU QD . . 5.280 4.394 4.253 4.561 . 0 0 "[ . 1 . 2]" 1
111 1 13 LEU QB 1 47 TRP HZ2 . . 5.340 5.465 5.424 5.519 0.179 13 0 "[ . 1 . 2]" 1
112 1 13 LEU QB 1 50 TRP HD1 . . 5.340 5.405 5.270 5.443 0.103 20 0 "[ . 1 . 2]" 1
113 1 13 LEU QB 1 76 MET ME . . 3.540 3.859 3.714 4.607 1.067 11 1 "[ . 1+ . 2]" 1
114 1 13 LEU QD 1 14 ARG H . . 4.220 3.258 2.781 3.634 . 0 0 "[ . 1 . 2]" 1
115 1 13 LEU QD 1 14 ARG HA . . 3.970 2.823 2.454 3.199 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU QD 1 17 LEU HA . . 4.730 4.446 3.994 4.760 0.030 4 0 "[ . 1 . 2]" 1
117 1 13 LEU QD 1 17 LEU QD . . 3.600 1.913 1.796 2.056 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU QD 1 47 TRP HH2 . . 5.300 4.035 3.682 4.434 . 0 0 "[ . 1 . 2]" 1
119 1 13 LEU QD 1 50 TRP HH2 . . 4.840 4.077 3.416 4.739 . 0 0 "[ . 1 . 2]" 1
120 1 13 LEU QD 1 50 TRP HZ3 . . 4.280 3.017 2.567 3.416 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU QD 1 51 PHE HZ . . 3.200 2.699 2.358 3.029 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU QD 1 69 LEU HA . . 5.380 4.727 4.068 5.096 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU QD 1 69 LEU QD . . 3.100 3.029 2.020 3.274 0.174 17 0 "[ . 1 . 2]" 1
124 1 13 LEU QD 1 72 TRP QB . . 4.680 3.389 2.764 3.713 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU QD 1 72 TRP HE3 . . 3.430 2.478 1.782 3.073 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU QD 1 72 TRP HZ3 . . 4.360 2.623 2.167 3.240 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU QD 1 76 MET ME . . 4.090 3.273 3.006 3.919 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU MD1 1 14 ARG H . . 5.500 4.835 4.345 5.315 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU MD1 1 50 TRP HZ3 . . 5.010 3.048 2.578 3.476 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU MD1 1 51 PHE QE . . 4.210 2.532 1.947 2.850 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU MD1 1 51 PHE HZ . . 4.230 2.760 2.394 3.098 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU MD1 1 72 TRP HE3 . . 4.050 2.698 1.900 3.332 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU MD1 1 76 MET ME . . 5.290 3.341 3.055 4.031 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU MD2 1 14 ARG H . . 5.500 3.313 2.814 3.706 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU MD2 1 50 TRP HZ3 . . 5.010 4.899 4.657 5.072 0.062 18 0 "[ . 1 . 2]" 1
136 1 13 LEU MD2 1 51 PHE QE . . 4.210 3.982 3.638 4.232 0.022 6 0 "[ . 1 . 2]" 1
137 1 13 LEU MD2 1 51 PHE HZ . . 4.230 3.841 3.477 4.273 0.043 12 0 "[ . 1 . 2]" 1
138 1 13 LEU MD2 1 72 TRP HE3 . . 4.050 2.924 2.155 3.604 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU MD2 1 76 MET ME . . 5.290 4.689 4.406 5.343 0.053 11 0 "[ . 1 . 2]" 1
140 1 14 ARG H 1 14 ARG HB2 . . 3.780 2.405 2.154 2.830 . 0 0 "[ . 1 . 2]" 1
141 1 14 ARG H 1 14 ARG QB . . 3.290 2.231 2.085 2.468 . 0 0 "[ . 1 . 2]" 1
142 1 14 ARG H 1 14 ARG HB3 . . 3.780 2.957 2.272 3.681 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG H 1 14 ARG QD . . 5.500 3.671 2.313 4.687 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG H 1 14 ARG QG . . 4.140 3.774 2.490 4.048 . 0 0 "[ . 1 . 2]" 1
145 1 14 ARG H 1 15 GLU H . . 3.830 2.605 2.172 2.882 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG H 1 15 GLU HB2 . . 5.500 4.749 4.033 5.683 0.183 6 0 "[ . 1 . 2]" 1
147 1 14 ARG H 1 15 GLU HB3 . . 5.500 5.001 4.247 5.661 0.161 13 0 "[ . 1 . 2]" 1
148 1 14 ARG H 1 16 ARG H . . 5.320 4.047 3.557 4.542 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG HA 1 14 ARG QG . . 3.900 2.443 2.291 2.807 . 0 0 "[ . 1 . 2]" 1
150 1 14 ARG HA 1 17 LEU H . . 4.900 3.265 2.770 3.805 . 0 0 "[ . 1 . 2]" 1
151 1 14 ARG HA 1 17 LEU QB . . 3.830 2.440 1.862 2.982 . 0 0 "[ . 1 . 2]" 1
152 1 14 ARG HA 1 17 LEU QD . . 4.460 3.154 2.719 4.006 . 0 0 "[ . 1 . 2]" 1
153 1 14 ARG HA 1 69 LEU MD1 . . 4.680 3.953 2.281 4.724 0.044 14 0 "[ . 1 . 2]" 1
154 1 14 ARG HA 1 69 LEU MD2 . . 4.680 3.453 2.981 4.258 . 0 0 "[ . 1 . 2]" 1
155 1 14 ARG QB 1 14 ARG QD . . 3.230 2.216 1.959 2.606 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG QB 1 14 ARG QG . . 2.370 2.025 1.959 2.064 . 0 0 "[ . 1 . 2]" 1
157 1 14 ARG QB 1 15 GLU H . . 3.740 2.411 1.967 2.771 . 0 0 "[ . 1 . 2]" 1
158 1 14 ARG QB 1 69 LEU QD . . 3.770 3.464 2.702 3.877 0.107 14 0 "[ . 1 . 2]" 1
159 1 14 ARG HB2 1 14 ARG QD . . 3.690 2.337 2.042 3.414 . 0 0 "[ . 1 . 2]" 1
160 1 14 ARG HB2 1 14 ARG QG . . 2.720 2.399 2.133 2.502 . 0 0 "[ . 1 . 2]" 1
161 1 14 ARG HB2 1 15 GLU H . . 4.330 3.277 2.288 4.043 . 0 0 "[ . 1 . 2]" 1
162 1 14 ARG HB3 1 14 ARG QD . . 3.690 3.125 2.490 3.382 . 0 0 "[ . 1 . 2]" 1
163 1 14 ARG HB3 1 14 ARG QG . . 2.720 2.195 2.137 2.455 . 0 0 "[ . 1 . 2]" 1
164 1 14 ARG HB3 1 15 GLU H . . 4.330 2.673 1.983 3.364 . 0 0 "[ . 1 . 2]" 1
165 1 14 ARG QD 1 15 GLU H . . 5.500 4.748 3.995 5.258 . 0 0 "[ . 1 . 2]" 1
166 1 14 ARG QD 1 17 LEU QB . . 3.930 4.063 3.633 4.262 0.332 1 0 "[ . 1 . 2]" 1
167 1 14 ARG QD 1 69 LEU MD1 . . 4.930 2.182 1.731 3.562 . 0 0 "[ . 1 . 2]" 1
168 1 14 ARG QD 1 69 LEU MD2 . . 4.930 2.224 1.740 3.423 . 0 0 "[ . 1 . 2]" 1
169 1 14 ARG QG 1 15 GLU H . . 5.090 3.886 3.355 4.535 . 0 0 "[ . 1 . 2]" 1
170 1 14 ARG QG 1 18 ILE MD . . 3.590 3.317 2.623 3.782 0.192 15 0 "[ . 1 . 2]" 1
171 1 14 ARG QG 1 69 LEU MD1 . . 3.140 2.870 2.162 3.334 0.194 15 0 "[ . 1 . 2]" 1
172 1 14 ARG QG 1 69 LEU QD . . 2.750 2.521 1.992 2.923 0.173 15 0 "[ . 1 . 2]" 1
173 1 14 ARG QG 1 69 LEU MD2 . . 3.140 2.883 2.084 3.258 0.118 16 0 "[ . 1 . 2]" 1
174 1 15 GLU H 1 15 GLU HB2 . . 3.970 2.407 2.074 3.531 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLU H 1 15 GLU QB . . 3.360 2.204 2.056 2.701 . 0 0 "[ . 1 . 2]" 1
176 1 15 GLU H 1 15 GLU HB3 . . 3.970 2.785 2.272 3.535 . 0 0 "[ . 1 . 2]" 1
177 1 15 GLU H 1 15 GLU HG2 . . 4.620 3.897 1.777 4.471 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLU H 1 15 GLU QG . . 3.820 3.369 1.770 3.914 0.094 16 0 "[ . 1 . 2]" 1
179 1 15 GLU H 1 15 GLU HG3 . . 4.620 3.919 2.325 4.487 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLU H 1 16 ARG H . . 3.500 2.766 2.634 2.925 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLU HA 1 15 GLU QG . . 3.700 2.584 2.350 3.309 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLU HA 1 18 ILE H . . 5.310 3.902 3.324 4.425 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLU HA 1 18 ILE MD . . 4.500 3.307 2.442 4.514 0.014 5 0 "[ . 1 . 2]" 1
184 1 15 GLU HA 1 18 ILE MG . . 4.940 4.616 4.003 4.952 0.012 11 0 "[ . 1 . 2]" 1
185 1 15 GLU QB 1 15 GLU QG . . 2.270 2.035 1.975 2.097 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLU QB 1 16 ARG H . . 4.240 2.433 2.071 3.424 . 0 0 "[ . 1 . 2]" 1
187 1 16 ARG H 1 16 ARG QB . . 3.240 2.391 2.020 2.578 . 0 0 "[ . 1 . 2]" 1
188 1 16 ARG H 1 16 ARG HG2 . . 4.770 3.673 2.246 4.485 . 0 0 "[ . 1 . 2]" 1
189 1 16 ARG H 1 16 ARG QG . . 3.930 3.069 2.138 3.969 0.039 8 0 "[ . 1 . 2]" 1
190 1 16 ARG H 1 16 ARG HG3 . . 4.770 3.640 2.162 4.547 . 0 0 "[ . 1 . 2]" 1
191 1 16 ARG H 1 17 LEU H . . 3.400 2.655 2.422 2.899 . 0 0 "[ . 1 . 2]" 1
192 1 16 ARG H 1 18 ILE H . . 5.500 4.219 3.979 4.503 . 0 0 "[ . 1 . 2]" 1
193 1 16 ARG H 1 47 TRP HH2 . . 5.500 4.279 3.546 4.791 . 0 0 "[ . 1 . 2]" 1
194 1 16 ARG HA 1 16 ARG HD2 . . 5.500 3.902 2.392 4.666 . 0 0 "[ . 1 . 2]" 1
195 1 16 ARG HA 1 16 ARG HD3 . . 5.500 4.212 3.010 4.715 . 0 0 "[ . 1 . 2]" 1
196 1 16 ARG HA 1 19 GLN H . . 4.600 3.307 2.790 3.750 . 0 0 "[ . 1 . 2]" 1
197 1 16 ARG HA 1 20 GLU H . . 4.640 3.976 3.491 4.383 . 0 0 "[ . 1 . 2]" 1
198 1 16 ARG QB 1 16 ARG HD2 . . 3.920 2.687 2.129 3.472 . 0 0 "[ . 1 . 2]" 1
199 1 16 ARG QB 1 16 ARG HD3 . . 3.920 2.742 2.395 3.489 . 0 0 "[ . 1 . 2]" 1
200 1 16 ARG QB 1 16 ARG HG2 . . 2.540 2.278 2.154 2.411 . 0 0 "[ . 1 . 2]" 1
201 1 16 ARG QB 1 16 ARG QG . . 2.190 2.039 1.966 2.086 . 0 0 "[ . 1 . 2]" 1
202 1 16 ARG QB 1 16 ARG HG3 . . 2.540 2.328 2.143 2.525 . 0 0 "[ . 1 . 2]" 1
203 1 16 ARG QB 1 17 LEU H . . 3.980 2.785 2.298 3.248 . 0 0 "[ . 1 . 2]" 1
204 1 16 ARG QB 1 47 TRP HH2 . . 3.090 1.950 1.730 2.140 . 0 0 "[ . 1 . 2]" 1
205 1 16 ARG QB 1 47 TRP HZ2 . . 3.410 3.118 2.542 3.461 0.051 9 0 "[ . 1 . 2]" 1
206 1 16 ARG QD 1 47 TRP HH2 . . 5.340 3.154 1.936 4.293 . 0 0 "[ . 1 . 2]" 1
207 1 16 ARG HD2 1 50 TRP HE1 . . 5.500 5.094 3.520 5.582 0.082 7 0 "[ . 1 . 2]" 1
208 1 16 ARG HD3 1 50 TRP HE1 . . 5.500 4.938 4.082 5.560 0.060 10 0 "[ . 1 . 2]" 1
209 1 17 LEU H 1 17 LEU HB2 . . 4.160 2.207 2.060 2.465 . 0 0 "[ . 1 . 2]" 1
210 1 17 LEU H 1 17 LEU QB . . 3.340 2.168 2.021 2.426 . 0 0 "[ . 1 . 2]" 1
211 1 17 LEU H 1 17 LEU HB3 . . 4.160 3.192 2.667 3.627 . 0 0 "[ . 1 . 2]" 1
212 1 17 LEU H 1 17 LEU MD1 . . 5.380 3.998 3.693 4.194 . 0 0 "[ . 1 . 2]" 1
213 1 17 LEU H 1 17 LEU QD . . 4.600 3.594 3.210 3.757 . 0 0 "[ . 1 . 2]" 1
214 1 17 LEU H 1 17 LEU MD2 . . 5.380 4.092 3.527 4.379 . 0 0 "[ . 1 . 2]" 1
215 1 17 LEU H 1 17 LEU HG . . 3.840 3.566 2.505 4.040 0.200 11 0 "[ . 1 . 2]" 1
216 1 17 LEU H 1 18 ILE H . . 3.970 2.720 2.519 2.932 . 0 0 "[ . 1 . 2]" 1
217 1 17 LEU H 1 18 ILE MD . . 5.500 5.345 4.990 5.522 0.022 5 0 "[ . 1 . 2]" 1
218 1 17 LEU H 1 47 TRP HH2 . . 5.500 3.896 3.000 4.542 . 0 0 "[ . 1 . 2]" 1
219 1 17 LEU H 1 47 TRP HZ2 . . 5.500 3.494 3.009 4.020 . 0 0 "[ . 1 . 2]" 1
220 1 17 LEU HA 1 17 LEU QD . . 3.890 2.280 1.885 2.910 . 0 0 "[ . 1 . 2]" 1
221 1 17 LEU HA 1 21 LEU H . . 5.500 4.155 3.333 4.479 . 0 0 "[ . 1 . 2]" 1
222 1 17 LEU HA 1 21 LEU QD . . 5.320 4.793 2.312 5.322 0.002 6 0 "[ . 1 . 2]" 1
223 1 17 LEU HA 1 47 TRP HZ2 . . 4.140 2.703 2.084 3.466 . 0 0 "[ . 1 . 2]" 1
224 1 17 LEU QB 1 18 ILE H . . 3.580 2.732 2.367 3.026 . 0 0 "[ . 1 . 2]" 1
225 1 17 LEU QB 1 28 LEU QD . . 2.910 2.724 2.015 2.997 0.087 8 0 "[ . 1 . 2]" 1
226 1 17 LEU QB 1 69 LEU QD . . 3.640 2.951 2.511 3.572 . 0 0 "[ . 1 . 2]" 1
227 1 17 LEU QD 1 21 LEU QD . . 3.100 2.990 2.066 3.175 0.075 2 0 "[ . 1 . 2]" 1
228 1 17 LEU QD 1 28 LEU QD . . 4.210 2.395 1.829 2.862 . 0 0 "[ . 1 . 2]" 1
229 1 17 LEU QD 1 34 LEU QD . . 3.060 1.835 1.740 2.070 . 0 0 "[ . 1 . 2]" 1
230 1 17 LEU QD 1 37 ALA MB . . 4.480 4.292 3.989 4.539 0.059 16 0 "[ . 1 . 2]" 1
231 1 17 LEU QD 1 39 LEU QB . . 5.440 3.964 3.547 4.280 . 0 0 "[ . 1 . 2]" 1
232 1 17 LEU QD 1 39 LEU QD . . 3.250 1.854 1.694 1.986 . 0 0 "[ . 1 . 2]" 1
233 1 17 LEU QD 1 47 TRP HD1 . . 5.440 3.613 3.082 4.101 . 0 0 "[ . 1 . 2]" 1
234 1 17 LEU QD 1 47 TRP HE1 . . 4.410 2.515 1.814 3.179 . 0 0 "[ . 1 . 2]" 1
235 1 17 LEU QD 1 47 TRP HZ2 . . 4.500 3.206 2.275 3.925 . 0 0 "[ . 1 . 2]" 1
236 1 17 LEU QD 1 69 LEU HA . . 5.440 3.900 3.261 4.243 . 0 0 "[ . 1 . 2]" 1
237 1 17 LEU QD 1 69 LEU QD . . 3.440 1.884 1.735 2.047 . 0 0 "[ . 1 . 2]" 1
238 1 17 LEU QD 1 72 TRP HZ3 . . 4.540 3.233 2.670 4.082 . 0 0 "[ . 1 . 2]" 1
239 1 17 LEU MD1 1 47 TRP HZ2 . . 5.500 4.101 3.405 4.820 . 0 0 "[ . 1 . 2]" 1
240 1 17 LEU MD1 1 72 TRP HZ3 . . 5.500 3.373 2.682 4.208 . 0 0 "[ . 1 . 2]" 1
241 1 17 LEU MD2 1 47 TRP HZ2 . . 5.500 3.562 2.283 4.564 . 0 0 "[ . 1 . 2]" 1
242 1 17 LEU MD2 1 72 TRP HZ3 . . 5.500 4.637 2.978 5.502 0.002 12 0 "[ . 1 . 2]" 1
243 1 18 ILE H 1 18 ILE HB . . 3.410 2.488 2.400 2.638 . 0 0 "[ . 1 . 2]" 1
244 1 18 ILE H 1 18 ILE MD . . 4.830 3.585 3.366 3.689 . 0 0 "[ . 1 . 2]" 1
245 1 18 ILE H 1 18 ILE QG . . 3.550 2.129 2.021 2.224 . 0 0 "[ . 1 . 2]" 1
246 1 18 ILE H 1 18 ILE MG . . 3.850 3.769 3.728 3.800 . 0 0 "[ . 1 . 2]" 1
247 1 18 ILE H 1 19 GLN H . . 4.180 2.647 2.431 2.881 . 0 0 "[ . 1 . 2]" 1
248 1 18 ILE H 1 20 GLU H . . 5.500 4.016 3.789 4.303 . 0 0 "[ . 1 . 2]" 1
249 1 18 ILE H 1 20 GLU QB . . 5.340 4.738 4.221 5.370 0.030 3 0 "[ . 1 . 2]" 1
250 1 18 ILE HA 1 18 ILE MD . . 3.960 3.556 2.194 3.876 . 0 0 "[ . 1 . 2]" 1
251 1 18 ILE HA 1 18 ILE MG . . 3.520 2.490 2.404 2.541 . 0 0 "[ . 1 . 2]" 1
252 1 18 ILE HA 1 21 LEU H . . 5.500 4.317 3.833 4.792 . 0 0 "[ . 1 . 2]" 1
253 1 18 ILE HA 1 23 LEU H . . 5.210 3.324 2.724 3.793 . 0 0 "[ . 1 . 2]" 1
254 1 18 ILE HA 1 23 LEU QB . . 4.240 2.241 1.989 2.741 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE HA 1 28 LEU QD . . 5.440 3.028 2.063 3.748 . 0 0 "[ . 1 . 2]" 1
256 1 18 ILE HB 1 18 ILE MD . . 3.110 2.607 2.461 3.201 0.091 5 0 "[ . 1 . 2]" 1
257 1 18 ILE HB 1 19 GLN H . . 4.000 2.743 2.422 3.179 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE MD 1 19 GLN H . . 5.500 4.774 4.534 5.028 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE MD 1 25 PRO HA . . 3.580 3.213 2.448 3.605 0.025 13 0 "[ . 1 . 2]" 1
260 1 18 ILE MD 1 25 PRO QB . . 4.840 3.658 2.754 4.166 . 0 0 "[ . 1 . 2]" 1
261 1 18 ILE MD 1 25 PRO QG . . 3.980 3.345 2.346 3.990 0.010 5 0 "[ . 1 . 2]" 1
262 1 18 ILE MD 1 28 LEU QB . . 3.230 3.046 1.985 3.296 0.066 7 0 "[ . 1 . 2]" 1
263 1 18 ILE MD 1 28 LEU QD . . 2.400 2.314 1.806 2.528 0.128 8 0 "[ . 1 . 2]" 1
264 1 18 ILE QG 1 18 ILE MG . . 2.430 2.316 2.220 2.406 . 0 0 "[ . 1 . 2]" 1
265 1 18 ILE QG 1 19 GLN H . . 5.380 4.036 3.838 4.235 . 0 0 "[ . 1 . 2]" 1
266 1 18 ILE QG 1 28 LEU QD . . 2.630 2.007 1.741 2.681 0.051 5 0 "[ . 1 . 2]" 1
267 1 18 ILE MG 1 19 GLN H . . 4.620 3.470 3.222 3.798 . 0 0 "[ . 1 . 2]" 1
268 1 18 ILE MG 1 19 GLN HA . . 4.630 3.551 3.322 3.949 . 0 0 "[ . 1 . 2]" 1
269 1 18 ILE MG 1 23 LEU H . . 4.780 3.397 2.933 3.915 . 0 0 "[ . 1 . 2]" 1
270 1 18 ILE MG 1 23 LEU QB . . 3.760 2.814 2.026 3.533 . 0 0 "[ . 1 . 2]" 1
271 1 18 ILE MG 1 25 PRO HA . . 3.880 3.900 3.728 3.939 0.059 2 0 "[ . 1 . 2]" 1
272 1 18 ILE MG 1 28 LEU QB . . 3.520 3.443 3.069 3.617 0.097 5 0 "[ . 1 . 2]" 1
273 1 19 GLN H 1 19 GLN QB . . 3.400 2.325 2.070 2.747 . 0 0 "[ . 1 . 2]" 1
274 1 19 GLN H 1 19 GLN QG . . 4.440 3.429 1.709 4.052 . 0 0 "[ . 1 . 2]" 1
275 1 19 GLN H 1 20 GLU H . . 4.000 2.483 2.247 2.909 . 0 0 "[ . 1 . 2]" 1
276 1 19 GLN H 1 21 LEU H . . 5.500 4.676 4.335 4.848 . 0 0 "[ . 1 . 2]" 1
277 1 19 GLN HA 1 19 GLN HG2 . . 3.550 3.160 2.525 3.661 0.111 4 0 "[ . 1 . 2]" 1
278 1 19 GLN HA 1 19 GLN HG3 . . 3.550 2.803 2.378 3.726 0.176 20 0 "[ . 1 . 2]" 1
279 1 19 GLN HA 1 22 ASN H . . 5.370 3.470 2.917 4.002 . 0 0 "[ . 1 . 2]" 1
280 1 19 GLN QB 1 19 GLN QG . . 2.350 2.053 1.970 2.089 . 0 0 "[ . 1 . 2]" 1
281 1 19 GLN QB 1 20 GLU H . . 3.770 2.667 2.140 3.699 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLU H 1 20 GLU HB2 . . 4.080 2.394 2.220 2.563 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLU H 1 20 GLU QB . . 3.350 2.284 2.126 2.512 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLU H 1 20 GLU HB3 . . 4.080 3.076 2.427 3.619 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLU H 1 20 GLU QG . . 4.130 3.185 2.251 4.026 . 0 0 "[ . 1 . 2]" 1
286 1 20 GLU H 1 21 LEU H . . 4.130 3.078 2.828 3.218 . 0 0 "[ . 1 . 2]" 1
287 1 20 GLU H 1 22 ASN H . . 5.500 3.847 3.529 4.131 . 0 0 "[ . 1 . 2]" 1
288 1 20 GLU HA 1 20 GLU QB . . 2.310 2.357 2.306 2.404 0.094 8 0 "[ . 1 . 2]" 1
289 1 20 GLU HA 1 22 ASN H . . 5.500 4.040 3.576 4.237 . 0 0 "[ . 1 . 2]" 1
290 1 20 GLU QB 1 20 GLU QG . . 2.310 2.021 1.987 2.096 . 0 0 "[ . 1 . 2]" 1
291 1 20 GLU QB 1 22 ASN H . . 5.340 4.259 4.076 4.593 . 0 0 "[ . 1 . 2]" 1
292 1 20 GLU HB2 1 21 LEU H . . 4.480 3.217 2.347 4.100 . 0 0 "[ . 1 . 2]" 1
293 1 20 GLU HB2 1 47 TRP HE1 . . 5.500 4.733 4.255 5.521 0.021 18 0 "[ . 1 . 2]" 1
294 1 20 GLU HB3 1 21 LEU H . . 4.480 2.891 2.253 3.868 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLU HB3 1 47 TRP HE1 . . 5.500 4.937 4.311 5.561 0.061 8 0 "[ . 1 . 2]" 1
296 1 21 LEU H 1 21 LEU HB2 . . 4.190 2.475 2.345 2.606 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU H 1 21 LEU QB . . 3.470 2.437 2.316 2.557 . 0 0 "[ . 1 . 2]" 1
298 1 21 LEU H 1 21 LEU HB3 . . 4.190 3.662 3.594 3.716 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU H 1 21 LEU MD1 . . 4.240 3.596 1.973 4.080 . 0 0 "[ . 1 . 2]" 1
300 1 21 LEU H 1 21 LEU MD2 . . 4.240 3.751 3.503 4.178 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU H 1 21 LEU HG . . 3.550 2.924 2.638 3.626 0.076 11 0 "[ . 1 . 2]" 1
302 1 21 LEU H 1 22 ASN H . . 3.710 2.471 2.319 2.669 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU H 1 34 LEU QD . . 5.440 5.615 5.565 5.661 0.221 9 0 "[ . 1 . 2]" 1
304 1 21 LEU HA 1 21 LEU QD . . 3.350 2.199 1.943 3.033 . 0 0 "[ . 1 . 2]" 1
305 1 21 LEU QB 1 21 LEU QD . . 2.470 1.915 1.865 1.936 . 0 0 "[ . 1 . 2]" 1
306 1 21 LEU HB2 1 21 LEU MD1 . . 3.420 2.291 2.213 2.354 . 0 0 "[ . 1 . 2]" 1
307 1 21 LEU HB2 1 21 LEU MD2 . . 3.420 3.081 2.431 3.199 . 0 0 "[ . 1 . 2]" 1
308 1 21 LEU HB2 1 22 ASN H . . 5.500 3.749 3.464 3.965 . 0 0 "[ . 1 . 2]" 1
309 1 21 LEU HB3 1 21 LEU MD1 . . 3.420 2.443 2.245 3.202 . 0 0 "[ . 1 . 2]" 1
310 1 21 LEU HB3 1 21 LEU MD2 . . 3.420 2.343 2.147 2.419 . 0 0 "[ . 1 . 2]" 1
311 1 21 LEU HB3 1 22 ASN H . . 5.500 4.304 4.144 4.422 . 0 0 "[ . 1 . 2]" 1
312 1 21 LEU QD 1 22 ASN H . . 5.440 4.334 3.946 4.439 . 0 0 "[ . 1 . 2]" 1
313 1 21 LEU QD 1 34 LEU QD . . 3.160 3.069 2.727 3.232 0.072 15 0 "[ . 1 . 2]" 1
314 1 21 LEU QD 1 37 ALA H . . 5.040 4.360 4.167 4.798 . 0 0 "[ . 1 . 2]" 1
315 1 21 LEU QD 1 37 ALA MB . . 2.950 2.381 2.117 2.931 . 0 0 "[ . 1 . 2]" 1
316 1 21 LEU QD 1 38 GLY H . . 5.440 3.523 3.047 4.095 . 0 0 "[ . 1 . 2]" 1
317 1 21 LEU QD 1 39 LEU H . . 4.480 2.848 2.563 3.250 . 0 0 "[ . 1 . 2]" 1
318 1 21 LEU QD 1 39 LEU HA . . 5.040 2.247 1.856 3.026 . 0 0 "[ . 1 . 2]" 1
319 1 21 LEU QD 1 39 LEU QD . . 2.740 1.880 1.794 2.107 . 0 0 "[ . 1 . 2]" 1
320 1 21 LEU HG 1 22 ASN H . . 5.500 4.913 4.695 5.238 . 0 0 "[ . 1 . 2]" 1
321 1 22 ASN H 1 23 LEU H . . 3.790 2.793 2.511 3.135 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU H 1 23 LEU HB2 . . 3.990 2.505 2.358 2.693 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU H 1 23 LEU QB . . 3.450 2.462 2.327 2.637 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU H 1 23 LEU HB3 . . 3.990 3.630 3.577 3.761 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU H 1 23 LEU MD1 . . 5.500 3.510 2.203 3.998 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU H 1 23 LEU QD . . 4.690 3.149 2.195 3.400 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU H 1 23 LEU MD2 . . 5.500 3.713 3.275 4.201 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU H 1 23 LEU HG . . 3.770 2.561 2.148 3.083 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU QB 1 23 LEU QD . . 2.500 1.939 1.851 1.975 . 0 0 "[ . 1 . 2]" 1
330 1 23 LEU QB 1 23 LEU HG . . 2.610 2.395 2.343 2.528 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU QB 1 24 THR H . . 3.680 2.759 1.999 3.235 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU QB 1 28 LEU QD . . 3.170 2.907 2.091 3.248 0.078 16 0 "[ . 1 . 2]" 1
333 1 23 LEU QD 1 24 THR H . . 4.590 3.574 3.148 4.123 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU QD 1 27 GLN QB . . 4.040 3.276 2.793 3.440 . 0 0 "[ . 1 . 2]" 1
335 1 23 LEU QD 1 27 GLN QG . . 5.440 2.311 1.946 2.703 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU QD 1 28 LEU QB . . 2.910 2.482 2.147 2.927 0.017 2 0 "[ . 1 . 2]" 1
337 1 23 LEU QD 1 37 ALA MB . . 2.920 2.079 1.857 2.532 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU QD 1 39 LEU QD . . 3.030 3.254 3.167 3.339 0.309 16 0 "[ . 1 . 2]" 1
339 1 23 LEU MD1 1 24 THR H . . 5.500 4.892 4.227 5.299 . 0 0 "[ . 1 . 2]" 1
340 1 23 LEU MD1 1 27 GLN QB . . 5.500 4.668 4.191 5.602 0.102 20 0 "[ . 1 . 2]" 1
341 1 23 LEU MD2 1 24 THR H . . 5.500 3.680 3.207 4.314 . 0 0 "[ . 1 . 2]" 1
342 1 23 LEU MD2 1 27 GLN QB . . 5.500 3.362 2.807 3.601 . 0 0 "[ . 1 . 2]" 1
343 1 23 LEU HG 1 27 GLN QB . . 5.230 5.306 5.248 5.369 0.139 4 0 "[ . 1 . 2]" 1
344 1 23 LEU HG 1 27 GLN QG . . 5.200 4.731 3.690 5.228 0.028 2 0 "[ . 1 . 2]" 1
345 1 24 THR H 1 24 THR MG . . 4.000 3.292 2.349 3.956 . 0 0 "[ . 1 . 2]" 1
346 1 24 THR H 1 27 GLN H . . 3.890 3.655 2.881 3.930 0.040 4 0 "[ . 1 . 2]" 1
347 1 24 THR H 1 27 GLN QB . . 4.030 2.416 1.801 4.039 0.009 13 0 "[ . 1 . 2]" 1
348 1 24 THR H 1 27 GLN QG . . 5.000 3.331 1.794 4.383 . 0 0 "[ . 1 . 2]" 1
349 1 24 THR HB 1 25 PRO QD . . 5.110 3.122 2.105 3.894 . 0 0 "[ . 1 . 2]" 1
350 1 24 THR HB 1 26 GLN H . . 4.430 3.003 2.605 3.356 . 0 0 "[ . 1 . 2]" 1
351 1 24 THR HB 1 27 GLN H . . 5.500 3.270 2.617 4.305 . 0 0 "[ . 1 . 2]" 1
352 1 24 THR MG 1 27 GLN H . . 5.500 4.023 3.335 4.939 . 0 0 "[ . 1 . 2]" 1
353 1 25 PRO HA 1 28 LEU H . . 5.500 3.197 2.914 3.521 . 0 0 "[ . 1 . 2]" 1
354 1 25 PRO HA 1 29 HIS H . . 5.500 5.532 5.254 5.572 0.072 6 0 "[ . 1 . 2]" 1
355 1 25 PRO QD 1 26 GLN H . . 5.500 2.853 2.623 3.087 . 0 0 "[ . 1 . 2]" 1
356 1 26 GLN H 1 26 GLN QB . . 3.560 2.459 2.310 2.622 . 0 0 "[ . 1 . 2]" 1
357 1 26 GLN H 1 26 GLN HG2 . . 5.500 3.854 2.338 4.731 . 0 0 "[ . 1 . 2]" 1
358 1 26 GLN H 1 26 GLN QG . . 4.740 3.033 2.088 4.077 . 0 0 "[ . 1 . 2]" 1
359 1 26 GLN H 1 26 GLN HG3 . . 5.500 3.282 2.110 4.585 . 0 0 "[ . 1 . 2]" 1
360 1 26 GLN H 1 27 GLN H . . 3.890 2.399 2.022 2.651 . 0 0 "[ . 1 . 2]" 1
361 1 26 GLN HA 1 26 GLN QG . . 3.140 2.555 2.444 3.101 . 0 0 "[ . 1 . 2]" 1
362 1 26 GLN QB 1 27 GLN H . . 4.080 3.097 2.802 3.442 . 0 0 "[ . 1 . 2]" 1
363 1 27 GLN H 1 27 GLN QB . . 3.490 2.354 2.135 3.027 . 0 0 "[ . 1 . 2]" 1
364 1 27 GLN H 1 27 GLN QG . . 3.800 3.604 2.000 3.915 0.115 8 0 "[ . 1 . 2]" 1
365 1 27 GLN H 1 28 LEU H . . 3.770 2.044 1.776 2.369 . 0 0 "[ . 1 . 2]" 1
366 1 27 GLN HA 1 27 GLN QG . . 3.540 2.716 2.365 3.327 . 0 0 "[ . 1 . 2]" 1
367 1 27 GLN QB 1 27 GLN QG . . 2.400 2.025 1.964 2.057 . 0 0 "[ . 1 . 2]" 1
368 1 27 GLN QB 1 28 LEU H . . 5.500 2.937 2.313 3.963 . 0 0 "[ . 1 . 2]" 1
369 1 27 GLN QB 1 28 LEU QD . . 5.440 4.680 4.412 5.078 . 0 0 "[ . 1 . 2]" 1
370 1 27 GLN QG 1 28 LEU HG . . 5.500 5.377 4.610 5.600 0.100 11 0 "[ . 1 . 2]" 1
371 1 28 LEU H 1 28 LEU MD1 . . 5.500 4.339 4.181 4.570 . 0 0 "[ . 1 . 2]" 1
372 1 28 LEU H 1 28 LEU MD2 . . 5.500 4.281 4.044 4.737 . 0 0 "[ . 1 . 2]" 1
373 1 28 LEU HA 1 28 LEU QD . . 3.010 2.071 1.944 2.392 . 0 0 "[ . 1 . 2]" 1
374 1 28 LEU HA 1 29 HIS H . . 3.410 2.195 2.017 2.348 . 0 0 "[ . 1 . 2]" 1
375 1 28 LEU QB 1 28 LEU QD . . 2.310 2.025 1.933 2.088 . 0 0 "[ . 1 . 2]" 1
376 1 28 LEU HB2 1 28 LEU MD1 . . 3.160 2.803 2.295 3.216 0.056 13 0 "[ . 1 . 2]" 1
377 1 28 LEU HB2 1 28 LEU MD2 . . 3.160 2.719 2.460 3.211 0.051 14 0 "[ . 1 . 2]" 1
378 1 28 LEU HB3 1 28 LEU MD1 . . 3.160 2.472 2.176 3.198 0.038 11 0 "[ . 1 . 2]" 1
379 1 28 LEU HB3 1 28 LEU MD2 . . 3.160 2.836 2.253 3.210 0.050 13 0 "[ . 1 . 2]" 1
380 1 28 LEU QD 1 29 HIS H . . 4.480 3.144 2.878 3.386 . 0 0 "[ . 1 . 2]" 1
381 1 28 LEU QD 1 32 SER QB . . 3.330 2.585 1.918 3.331 0.001 9 0 "[ . 1 . 2]" 1
382 1 28 LEU QD 1 34 LEU QD . . 3.620 2.009 1.807 2.336 . 0 0 "[ . 1 . 2]" 1
383 1 28 LEU QD 1 70 ALA H . . 5.440 5.397 4.626 5.595 0.155 1 0 "[ . 1 . 2]" 1
384 1 29 HIS H 1 29 HIS HD2 . . 5.500 4.834 2.099 5.423 . 0 0 "[ . 1 . 2]" 1
385 1 29 HIS H 1 32 SER H . . 5.500 3.664 3.193 4.352 . 0 0 "[ . 1 . 2]" 1
386 1 29 HIS H 1 32 SER HB2 . . 5.500 2.805 2.088 4.065 . 0 0 "[ . 1 . 2]" 1
387 1 29 HIS H 1 32 SER QB . . 4.690 2.546 2.070 3.479 . 0 0 "[ . 1 . 2]" 1
388 1 29 HIS H 1 32 SER HB3 . . 5.500 3.297 2.147 4.497 . 0 0 "[ . 1 . 2]" 1
389 1 29 HIS HB2 1 32 SER H . . 5.500 5.021 2.328 5.513 0.013 13 0 "[ . 1 . 2]" 1
390 1 29 HIS HB3 1 32 SER H . . 5.500 3.837 2.922 5.462 . 0 0 "[ . 1 . 2]" 1
391 1 29 HIS HE1 1 31 GLU HB2 . . 5.500 4.949 2.562 5.623 0.123 14 0 "[ . 1 . 2]" 1
392 1 29 HIS HE1 1 31 GLU HB3 . . 5.500 4.358 3.692 5.637 0.137 16 0 "[ . 1 . 2]" 1
393 1 31 GLU H 1 32 SER H . . 4.180 2.426 2.009 3.143 . 0 0 "[ . 1 . 2]" 1
394 1 31 GLU HA 1 68 THR MG . . 3.120 3.081 2.759 3.194 0.074 12 0 "[ . 1 . 2]" 1
395 1 31 GLU QB 1 31 GLU QG . . 2.310 2.016 2.001 2.065 . 0 0 "[ . 1 . 2]" 1
396 1 31 GLU HB2 1 32 SER H . . 5.500 4.236 3.261 4.562 . 0 0 "[ . 1 . 2]" 1
397 1 31 GLU HB3 1 32 SER H . . 5.500 4.148 3.266 4.446 . 0 0 "[ . 1 . 2]" 1
398 1 32 SER H 1 32 SER QB . . 3.520 2.422 2.191 2.769 . 0 0 "[ . 1 . 2]" 1
399 1 32 SER H 1 33 ASN H . . 4.810 4.519 4.393 4.588 . 0 0 "[ . 1 . 2]" 1
400 1 32 SER H 1 68 THR MG . . 5.500 4.003 3.541 4.290 . 0 0 "[ . 1 . 2]" 1
401 1 32 SER HA 1 33 ASN H . . 3.390 2.156 2.068 2.318 . 0 0 "[ . 1 . 2]" 1
402 1 33 ASN H 1 33 ASN HB2 . . 4.010 2.619 2.364 2.771 . 0 0 "[ . 1 . 2]" 1
403 1 33 ASN H 1 33 ASN HB3 . . 4.010 2.769 2.509 3.667 . 0 0 "[ . 1 . 2]" 1
404 1 33 ASN H 1 68 THR MG . . 5.500 3.565 3.283 3.950 . 0 0 "[ . 1 . 2]" 1
405 1 33 ASN HA 1 34 LEU H . . 3.250 2.034 1.965 2.075 . 0 0 "[ . 1 . 2]" 1
406 1 33 ASN HA 1 35 ILE H . . 5.500 3.820 3.592 4.122 . 0 0 "[ . 1 . 2]" 1
407 1 33 ASN HA 1 68 THR MG . . 3.600 2.399 2.115 2.630 . 0 0 "[ . 1 . 2]" 1
408 1 33 ASN QB 1 36 GLN H . . 5.340 3.168 2.509 3.483 . 0 0 "[ . 1 . 2]" 1
409 1 33 ASN QB 1 36 GLN QB . . 3.650 2.337 1.762 2.761 . 0 0 "[ . 1 . 2]" 1
410 1 33 ASN QB 1 36 GLN QG . . 3.010 2.876 2.113 3.212 0.202 1 0 "[ . 1 . 2]" 1
411 1 34 LEU H 1 34 LEU QB . . 3.740 2.315 2.200 2.445 . 0 0 "[ . 1 . 2]" 1
412 1 34 LEU H 1 34 LEU MD1 . . 5.070 3.596 3.266 3.743 . 0 0 "[ . 1 . 2]" 1
413 1 34 LEU H 1 34 LEU QD . . 4.460 3.254 3.041 3.391 . 0 0 "[ . 1 . 2]" 1
414 1 34 LEU H 1 34 LEU MD2 . . 5.070 3.745 3.300 4.050 . 0 0 "[ . 1 . 2]" 1
415 1 34 LEU H 1 34 LEU HG . . 3.520 2.696 2.246 2.955 . 0 0 "[ . 1 . 2]" 1
416 1 34 LEU H 1 35 ILE H . . 4.220 2.713 2.583 2.924 . 0 0 "[ . 1 . 2]" 1
417 1 34 LEU H 1 36 GLN H . . 5.500 4.147 3.745 4.375 . 0 0 "[ . 1 . 2]" 1
418 1 34 LEU H 1 67 PRO QB . . 5.100 2.983 2.553 3.525 . 0 0 "[ . 1 . 2]" 1
419 1 34 LEU H 1 68 THR H . . 4.980 4.342 4.131 4.610 . 0 0 "[ . 1 . 2]" 1
420 1 34 LEU H 1 68 THR HB . . 5.500 5.215 4.902 5.500 0.000 13 0 "[ . 1 . 2]" 1
421 1 34 LEU H 1 68 THR MG . . 4.650 3.636 3.445 4.022 . 0 0 "[ . 1 . 2]" 1
422 1 34 LEU HA 1 34 LEU MD1 . . 4.450 3.791 3.765 3.825 . 0 0 "[ . 1 . 2]" 1
423 1 34 LEU HA 1 34 LEU QD . . 3.260 2.034 1.981 2.145 . 0 0 "[ . 1 . 2]" 1
424 1 34 LEU HA 1 34 LEU MD2 . . 4.450 2.042 1.988 2.157 . 0 0 "[ . 1 . 2]" 1
425 1 34 LEU HA 1 36 GLN H . . 5.500 4.079 3.862 4.326 . 0 0 "[ . 1 . 2]" 1
426 1 34 LEU HA 1 37 ALA H . . 4.210 3.065 2.952 3.303 . 0 0 "[ . 1 . 2]" 1
427 1 34 LEU HA 1 37 ALA MB . . 2.870 2.222 2.052 2.487 . 0 0 "[ . 1 . 2]" 1
428 1 34 LEU QB 1 35 ILE H . . 5.050 2.999 2.749 3.162 . 0 0 "[ . 1 . 2]" 1
429 1 34 LEU QB 1 35 ILE QG . . 3.750 3.640 2.878 3.757 0.007 2 0 "[ . 1 . 2]" 1
430 1 34 LEU QB 1 39 LEU QB . . 3.550 2.824 2.205 3.442 . 0 0 "[ . 1 . 2]" 1
431 1 34 LEU QB 1 39 LEU QD . . 3.100 1.954 1.813 2.646 . 0 0 "[ . 1 . 2]" 1
432 1 34 LEU QD 1 35 ILE MD . . 4.610 4.640 4.608 4.717 0.107 12 0 "[ . 1 . 2]" 1
433 1 34 LEU QD 1 37 ALA MB . . 3.370 2.665 2.447 3.153 . 0 0 "[ . 1 . 2]" 1
434 1 34 LEU QD 1 39 LEU QD . . 3.410 1.941 1.741 2.387 . 0 0 "[ . 1 . 2]" 1
435 1 34 LEU QD 1 68 THR H . . 5.440 3.860 3.512 4.376 . 0 0 "[ . 1 . 2]" 1
436 1 34 LEU QD 1 68 THR HA . . 4.660 3.449 3.318 3.724 . 0 0 "[ . 1 . 2]" 1
437 1 34 LEU QD 1 68 THR MG . . 4.520 4.613 4.555 4.680 0.160 14 0 "[ . 1 . 2]" 1
438 1 34 LEU QD 1 69 LEU QB . . 4.160 3.225 1.910 3.875 . 0 0 "[ . 1 . 2]" 1
439 1 34 LEU QD 1 69 LEU QD . . 3.250 1.965 1.780 2.342 . 0 0 "[ . 1 . 2]" 1
440 1 34 LEU QD 1 72 TRP HD1 . . 4.990 4.015 3.604 4.426 . 0 0 "[ . 1 . 2]" 1
441 1 34 LEU QD 1 72 TRP HZ2 . . 5.440 2.703 2.309 3.093 . 0 0 "[ . 1 . 2]" 1
442 1 34 LEU QD 1 72 TRP HZ3 . . 5.440 4.128 3.734 4.545 . 0 0 "[ . 1 . 2]" 1
443 1 34 LEU MD1 1 35 ILE H . . 5.500 4.902 4.596 5.057 . 0 0 "[ . 1 . 2]" 1
444 1 34 LEU MD1 1 39 LEU MD1 . . 5.270 2.702 1.914 3.955 . 0 0 "[ . 1 . 2]" 1
445 1 34 LEU MD1 1 39 LEU MD2 . . 5.270 3.323 2.017 4.386 . 0 0 "[ . 1 . 2]" 1
446 1 34 LEU MD1 1 69 LEU H . . 5.500 3.284 2.966 4.125 . 0 0 "[ . 1 . 2]" 1
447 1 34 LEU MD1 1 69 LEU MD1 . . 5.150 3.466 1.910 4.142 . 0 0 "[ . 1 . 2]" 1
448 1 34 LEU MD1 1 69 LEU MD2 . . 5.150 2.409 1.831 3.997 . 0 0 "[ . 1 . 2]" 1
449 1 34 LEU MD1 1 72 TRP HE1 . . 5.500 2.903 2.741 3.082 . 0 0 "[ . 1 . 2]" 1
450 1 34 LEU MD2 1 35 ILE H . . 5.500 4.844 4.739 4.924 . 0 0 "[ . 1 . 2]" 1
451 1 34 LEU MD2 1 39 LEU MD1 . . 5.270 2.533 1.988 4.773 . 0 0 "[ . 1 . 2]" 1
452 1 34 LEU MD2 1 39 LEU MD2 . . 5.270 3.013 2.073 4.487 . 0 0 "[ . 1 . 2]" 1
453 1 34 LEU MD2 1 69 LEU H . . 5.500 4.210 3.618 4.619 . 0 0 "[ . 1 . 2]" 1
454 1 34 LEU MD2 1 69 LEU MD1 . . 5.150 3.494 2.592 5.157 0.007 14 0 "[ . 1 . 2]" 1
455 1 34 LEU MD2 1 69 LEU MD2 . . 5.150 2.939 2.201 4.690 . 0 0 "[ . 1 . 2]" 1
456 1 34 LEU MD2 1 72 TRP HE1 . . 5.500 5.523 5.318 5.563 0.063 11 0 "[ . 1 . 2]" 1
457 1 34 LEU HG 1 68 THR HA . . 4.140 3.102 2.783 3.632 . 0 0 "[ . 1 . 2]" 1
458 1 34 LEU HG 1 69 LEU HA . . 3.980 4.014 3.667 4.109 0.129 15 0 "[ . 1 . 2]" 1
459 1 35 ILE H 1 35 ILE HB . . 3.500 2.499 2.464 2.551 . 0 0 "[ . 1 . 2]" 1
460 1 35 ILE H 1 35 ILE MD . . 4.680 3.452 3.288 3.782 . 0 0 "[ . 1 . 2]" 1
461 1 35 ILE H 1 35 ILE HG12 . . 4.110 2.469 2.237 3.700 . 0 0 "[ . 1 . 2]" 1
462 1 35 ILE H 1 35 ILE HG13 . . 4.110 3.737 2.487 3.909 . 0 0 "[ . 1 . 2]" 1
463 1 35 ILE H 1 35 ILE MG . . 4.200 3.807 3.786 3.828 . 0 0 "[ . 1 . 2]" 1
464 1 35 ILE H 1 36 GLN H . . 3.590 2.387 2.208 2.638 . 0 0 "[ . 1 . 2]" 1
465 1 35 ILE H 1 37 ALA H . . 5.500 3.669 3.528 3.916 . 0 0 "[ . 1 . 2]" 1
466 1 35 ILE H 1 67 PRO QB . . 4.040 2.340 2.014 2.963 . 0 0 "[ . 1 . 2]" 1
467 1 35 ILE HA 1 35 ILE MD . . 4.080 2.168 2.022 3.811 . 0 0 "[ . 1 . 2]" 1
468 1 35 ILE HA 1 35 ILE QG . . 3.610 2.899 2.324 2.984 . 0 0 "[ . 1 . 2]" 1
469 1 35 ILE HA 1 35 ILE MG . . 3.670 2.517 2.473 2.556 . 0 0 "[ . 1 . 2]" 1
470 1 35 ILE HA 1 37 ALA H . . 5.500 3.884 3.705 4.043 . 0 0 "[ . 1 . 2]" 1
471 1 35 ILE HA 1 37 ALA MB . . 5.190 4.592 4.419 4.795 . 0 0 "[ . 1 . 2]" 1
472 1 35 ILE HA 1 38 GLY H . . 5.030 3.335 2.855 3.769 . 0 0 "[ . 1 . 2]" 1
473 1 35 ILE HA 1 39 LEU H . . 3.810 2.767 2.309 3.056 . 0 0 "[ . 1 . 2]" 1
474 1 35 ILE HA 1 39 LEU QB . . 3.490 3.004 2.439 3.289 . 0 0 "[ . 1 . 2]" 1
475 1 35 ILE HB 1 35 ILE MD . . 3.210 3.209 2.467 3.259 0.049 10 0 "[ . 1 . 2]" 1
476 1 35 ILE HB 1 36 GLN H . . 3.450 2.856 2.671 3.199 . 0 0 "[ . 1 . 2]" 1
477 1 35 ILE MD 1 35 ILE MG . . 2.400 2.043 2.014 2.068 . 0 0 "[ . 1 . 2]" 1
478 1 35 ILE MD 1 64 TYR H . . 5.500 5.388 4.473 5.564 0.064 10 0 "[ . 1 . 2]" 1
479 1 35 ILE MD 1 64 TYR HA . . 3.790 3.406 2.384 3.693 . 0 0 "[ . 1 . 2]" 1
480 1 35 ILE MD 1 64 TYR QB . . 4.690 4.589 3.786 4.759 0.069 7 0 "[ . 1 . 2]" 1
481 1 35 ILE MD 1 64 TYR QD . . 3.670 3.481 3.047 3.677 0.007 7 0 "[ . 1 . 2]" 1
482 1 35 ILE MD 1 64 TYR QE . . 3.730 3.630 2.611 3.794 0.064 14 0 "[ . 1 . 2]" 1
483 1 35 ILE QG 1 36 GLN H . . 5.340 4.111 3.972 4.267 . 0 0 "[ . 1 . 2]" 1
484 1 35 ILE QG 1 44 LEU QD . . 3.450 3.380 2.275 3.505 0.055 7 0 "[ . 1 . 2]" 1
485 1 35 ILE QG 1 67 PRO QB . . 4.660 1.918 1.834 2.164 . 0 0 "[ . 1 . 2]" 1
486 1 35 ILE QG 1 67 PRO QG . . 5.340 2.613 2.247 3.518 . 0 0 "[ . 1 . 2]" 1
487 1 35 ILE MG 1 36 GLN H . . 4.660 3.566 3.370 3.785 . 0 0 "[ . 1 . 2]" 1
488 1 35 ILE MG 1 36 GLN HA . . 5.500 3.576 3.425 3.873 . 0 0 "[ . 1 . 2]" 1
489 1 35 ILE MG 1 36 GLN QG . . 5.500 4.044 3.256 5.532 0.032 16 0 "[ . 1 . 2]" 1
490 1 35 ILE MG 1 64 TYR QE . . 5.480 4.794 3.569 5.312 . 0 0 "[ . 1 . 2]" 1
491 1 36 GLN H 1 36 GLN QB . . 3.670 2.392 2.144 2.489 . 0 0 "[ . 1 . 2]" 1
492 1 36 GLN H 1 36 GLN QG . . 4.020 2.791 2.335 4.025 0.005 19 0 "[ . 1 . 2]" 1
493 1 36 GLN H 1 37 ALA H . . 3.910 2.361 2.246 2.495 . 0 0 "[ . 1 . 2]" 1
494 1 36 GLN H 1 37 ALA HA . . 5.500 5.013 4.898 5.150 . 0 0 "[ . 1 . 2]" 1
495 1 36 GLN H 1 38 GLY QA . . 5.340 5.389 5.339 5.437 0.097 14 0 "[ . 1 . 2]" 1
496 1 36 GLN HA 1 36 GLN QG . . 3.830 2.653 2.386 3.054 . 0 0 "[ . 1 . 2]" 1
497 1 36 GLN HA 1 38 GLY H . . 5.210 3.713 3.247 4.289 . 0 0 "[ . 1 . 2]" 1
498 1 36 GLN QB 1 36 GLN QG . . 2.250 2.036 1.978 2.090 . 0 0 "[ . 1 . 2]" 1
499 1 36 GLN HB2 1 36 GLN QG . . 2.720 2.251 2.117 2.367 . 0 0 "[ . 1 . 2]" 1
500 1 36 GLN HB3 1 36 GLN QG . . 2.720 2.337 2.142 2.457 . 0 0 "[ . 1 . 2]" 1
501 1 37 ALA H 1 37 ALA MB . . 3.200 2.265 2.237 2.290 . 0 0 "[ . 1 . 2]" 1
502 1 37 ALA H 1 39 LEU H . . 4.150 3.865 3.524 4.163 0.013 12 0 "[ . 1 . 2]" 1
503 1 37 ALA MB 1 38 GLY H . . 4.540 2.930 2.624 3.175 . 0 0 "[ . 1 . 2]" 1
504 1 38 GLY H 1 39 LEU H . . 3.550 2.254 2.025 2.431 . 0 0 "[ . 1 . 2]" 1
505 1 39 LEU H 1 39 LEU QB . . 3.370 2.295 2.034 2.510 . 0 0 "[ . 1 . 2]" 1
506 1 39 LEU H 1 39 LEU MD1 . . 5.310 3.892 3.657 4.277 . 0 0 "[ . 1 . 2]" 1
507 1 39 LEU H 1 39 LEU QD . . 4.570 3.406 3.130 3.814 . 0 0 "[ . 1 . 2]" 1
508 1 39 LEU H 1 39 LEU MD2 . . 5.310 3.818 3.293 4.429 . 0 0 "[ . 1 . 2]" 1
509 1 39 LEU H 1 39 LEU HG . . 4.300 3.522 2.561 4.412 0.112 1 0 "[ . 1 . 2]" 1
510 1 39 LEU H 1 40 ASP H . . 4.580 4.260 3.997 4.434 . 0 0 "[ . 1 . 2]" 1
511 1 39 LEU HA 1 39 LEU MD1 . . 3.580 3.116 1.981 3.742 0.162 3 0 "[ . 1 . 2]" 1
512 1 39 LEU HA 1 39 LEU MD2 . . 3.580 2.678 1.891 3.729 0.149 16 0 "[ . 1 . 2]" 1
513 1 39 LEU HA 1 39 LEU HG . . 3.900 2.915 2.206 3.715 . 0 0 "[ . 1 . 2]" 1
514 1 39 LEU HA 1 40 ASP H . . 3.310 2.090 1.920 2.176 . 0 0 "[ . 1 . 2]" 1
515 1 39 LEU HA 1 43 ARG H . . 5.500 5.556 5.339 5.663 0.163 17 0 "[ . 1 . 2]" 1
516 1 39 LEU QB 1 39 LEU MD1 . . 2.900 2.115 1.956 2.342 . 0 0 "[ . 1 . 2]" 1
517 1 39 LEU QB 1 39 LEU MD2 . . 2.900 2.238 2.013 2.450 . 0 0 "[ . 1 . 2]" 1
518 1 39 LEU QB 1 40 ASP H . . 4.890 3.654 3.369 3.888 . 0 0 "[ . 1 . 2]" 1
519 1 39 LEU QB 1 44 LEU MD1 . . 3.580 3.099 2.056 3.648 0.068 1 0 "[ . 1 . 2]" 1
520 1 39 LEU QB 1 44 LEU QD . . 3.090 2.736 2.045 3.194 0.104 7 0 "[ . 1 . 2]" 1
521 1 39 LEU QB 1 44 LEU MD2 . . 3.580 3.389 2.291 3.669 0.089 16 0 "[ . 1 . 2]" 1
522 1 39 LEU QD 1 40 ASP H . . 4.660 3.469 2.923 3.746 . 0 0 "[ . 1 . 2]" 1
523 1 39 LEU QD 1 44 LEU H . . 5.110 3.752 2.508 4.477 . 0 0 "[ . 1 . 2]" 1
524 1 39 LEU QD 1 47 TRP HD1 . . 3.130 2.782 2.252 3.138 0.008 3 0 "[ . 1 . 2]" 1
525 1 39 LEU QD 1 47 TRP HE1 . . 4.960 2.657 2.312 2.976 . 0 0 "[ . 1 . 2]" 1
526 1 39 LEU QD 1 72 TRP HH2 . . 3.710 2.153 1.895 2.591 . 0 0 "[ . 1 . 2]" 1
527 1 39 LEU QD 1 72 TRP HZ2 . . 4.050 2.599 2.341 3.466 . 0 0 "[ . 1 . 2]" 1
528 1 39 LEU MD1 1 40 ASP H . . 5.380 4.488 3.039 5.233 . 0 0 "[ . 1 . 2]" 1
529 1 39 LEU MD1 1 47 TRP HD1 . . 3.780 3.348 2.701 3.869 0.089 16 0 "[ . 1 . 2]" 1
530 1 39 LEU MD1 1 72 TRP HH2 . . 4.480 2.821 1.980 4.275 . 0 0 "[ . 1 . 2]" 1
531 1 39 LEU MD2 1 40 ASP H . . 5.380 4.006 3.256 4.980 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU MD2 1 47 TRP HD1 . . 3.780 3.316 2.293 3.905 0.125 10 0 "[ . 1 . 2]" 1
533 1 39 LEU MD2 1 72 TRP HH2 . . 4.480 3.125 1.899 4.497 0.017 15 0 "[ . 1 . 2]" 1
534 1 39 LEU HG 1 40 ASP H . . 5.500 4.496 3.164 5.377 . 0 0 "[ . 1 . 2]" 1
535 1 40 ASP H 1 40 ASP QB . . 3.670 2.528 2.119 2.673 . 0 0 "[ . 1 . 2]" 1
536 1 40 ASP H 1 41 SER H . . 5.500 4.585 4.553 4.648 . 0 0 "[ . 1 . 2]" 1
537 1 40 ASP H 1 43 ARG H . . 5.490 4.292 3.874 4.508 . 0 0 "[ . 1 . 2]" 1
538 1 40 ASP H 1 43 ARG HB2 . . 4.630 3.327 2.508 4.639 0.009 17 0 "[ . 1 . 2]" 1
539 1 40 ASP H 1 43 ARG QB . . 3.820 3.032 2.388 3.656 . 0 0 "[ . 1 . 2]" 1
540 1 40 ASP H 1 43 ARG HB3 . . 4.630 3.956 2.859 4.671 0.041 10 0 "[ . 1 . 2]" 1
541 1 40 ASP H 1 43 ARG QD . . 4.160 3.529 2.423 4.376 0.216 13 0 "[ . 1 . 2]" 1
542 1 40 ASP H 1 44 LEU H . . 5.500 4.748 4.323 5.122 . 0 0 "[ . 1 . 2]" 1
543 1 40 ASP HA 1 42 ILE H . . 5.200 4.290 4.004 4.451 . 0 0 "[ . 1 . 2]" 1
544 1 40 ASP QB 1 41 SER H . . 4.070 2.439 2.187 3.519 . 0 0 "[ . 1 . 2]" 1
545 1 40 ASP QB 1 42 ILE H . . 5.340 2.989 2.753 3.730 . 0 0 "[ . 1 . 2]" 1
546 1 41 SER H 1 42 ILE H . . 5.050 2.752 2.608 2.873 . 0 0 "[ . 1 . 2]" 1
547 1 41 SER HA 1 41 SER QB . . 2.580 2.231 2.101 2.280 . 0 0 "[ . 1 . 2]" 1
548 1 41 SER QB 1 42 ILE H . . 5.090 3.348 3.100 3.743 . 0 0 "[ . 1 . 2]" 1
549 1 41 SER QB 1 44 LEU H . . 5.070 4.570 4.366 4.698 . 0 0 "[ . 1 . 2]" 1
550 1 41 SER QB 1 44 LEU HB2 . . 3.870 3.789 2.957 4.013 0.143 2 0 "[ . 1 . 2]" 1
551 1 41 SER QB 1 44 LEU QB . . 3.290 3.202 2.882 3.458 0.168 4 0 "[ . 1 . 2]" 1
552 1 41 SER QB 1 44 LEU HB3 . . 3.870 3.578 3.287 4.023 0.153 19 0 "[ . 1 . 2]" 1
553 1 41 SER QB 1 44 LEU QD . . 3.680 3.225 2.745 3.710 0.030 4 0 "[ . 1 . 2]" 1
554 1 41 SER QB 1 45 MET H . . 5.480 4.257 4.098 4.465 . 0 0 "[ . 1 . 2]" 1
555 1 42 ILE H 1 42 ILE HB . . 3.500 2.655 2.585 2.701 . 0 0 "[ . 1 . 2]" 1
556 1 42 ILE H 1 42 ILE HG12 . . 4.370 2.408 2.328 2.508 . 0 0 "[ . 1 . 2]" 1
557 1 42 ILE H 1 42 ILE QG . . 3.780 2.385 2.309 2.481 . 0 0 "[ . 1 . 2]" 1
558 1 42 ILE H 1 42 ILE HG13 . . 4.370 3.858 3.807 3.932 . 0 0 "[ . 1 . 2]" 1
559 1 42 ILE H 1 42 ILE MG . . 4.430 3.857 3.830 3.878 . 0 0 "[ . 1 . 2]" 1
560 1 42 ILE H 1 43 ARG H . . 3.810 2.300 2.142 2.566 . 0 0 "[ . 1 . 2]" 1
561 1 42 ILE H 1 44 LEU H . . 5.500 3.625 3.335 3.912 . 0 0 "[ . 1 . 2]" 1
562 1 42 ILE HA 1 42 ILE MD . . 4.770 2.131 2.082 2.156 . 0 0 "[ . 1 . 2]" 1
563 1 42 ILE HA 1 42 ILE HG12 . . 3.800 3.180 3.161 3.211 . 0 0 "[ . 1 . 2]" 1
564 1 42 ILE HA 1 42 ILE QG . . 3.280 3.025 3.005 3.050 . 0 0 "[ . 1 . 2]" 1
565 1 42 ILE HA 1 42 ILE HG13 . . 3.800 3.791 3.758 3.804 0.004 5 0 "[ . 1 . 2]" 1
566 1 42 ILE HA 1 42 ILE MG . . 3.390 2.381 2.357 2.414 . 0 0 "[ . 1 . 2]" 1
567 1 42 ILE HA 1 45 MET H . . 5.100 3.083 2.825 3.319 . 0 0 "[ . 1 . 2]" 1
568 1 42 ILE HA 1 45 MET QB . . 4.880 3.268 2.310 4.114 . 0 0 "[ . 1 . 2]" 1
569 1 42 ILE HA 1 45 MET QG . . 5.260 3.069 1.838 4.767 . 0 0 "[ . 1 . 2]" 1
570 1 42 ILE HA 1 46 ARG H . . 5.500 3.868 3.608 4.140 . 0 0 "[ . 1 . 2]" 1
571 1 42 ILE HB 1 43 ARG H . . 3.270 2.576 2.417 2.807 . 0 0 "[ . 1 . 2]" 1
572 1 42 ILE MD 1 42 ILE MG . . 2.400 1.982 1.948 2.067 . 0 0 "[ . 1 . 2]" 1
573 1 42 ILE MD 1 45 MET H . . 5.130 4.649 4.363 4.880 . 0 0 "[ . 1 . 2]" 1
574 1 42 ILE MD 1 45 MET ME . . 4.400 3.627 2.227 4.428 0.028 9 0 "[ . 1 . 2]" 1
575 1 42 ILE QG 1 42 ILE MG . . 3.120 2.373 2.338 2.402 . 0 0 "[ . 1 . 2]" 1
576 1 42 ILE MG 1 43 ARG H . . 4.460 3.561 3.404 3.672 . 0 0 "[ . 1 . 2]" 1
577 1 42 ILE MG 1 46 ARG HA . . 4.070 4.291 4.220 4.333 0.263 2 0 "[ . 1 . 2]" 1
578 1 43 ARG H 1 43 ARG QB . . 3.490 2.212 1.973 2.881 . 0 0 "[ . 1 . 2]" 1
579 1 43 ARG H 1 43 ARG QD . . 5.490 3.541 2.298 4.734 . 0 0 "[ . 1 . 2]" 1
580 1 43 ARG H 1 43 ARG QG . . 4.280 3.350 1.825 3.940 . 0 0 "[ . 1 . 2]" 1
581 1 43 ARG H 1 44 LEU H . . 4.120 2.605 2.430 2.764 . 0 0 "[ . 1 . 2]" 1
582 1 43 ARG HA 1 43 ARG QD . . 4.470 3.168 2.030 4.227 . 0 0 "[ . 1 . 2]" 1
583 1 43 ARG HA 1 43 ARG QG . . 3.860 2.484 2.257 3.292 . 0 0 "[ . 1 . 2]" 1
584 1 43 ARG QB 1 44 LEU H . . 4.130 2.468 2.077 3.063 . 0 0 "[ . 1 . 2]" 1
585 1 43 ARG QB 1 47 TRP HE1 . . 5.340 3.998 3.077 5.174 . 0 0 "[ . 1 . 2]" 1
586 1 43 ARG HB2 1 44 LEU H . . 4.840 2.994 2.340 4.073 . 0 0 "[ . 1 . 2]" 1
587 1 43 ARG HB3 1 44 LEU H . . 4.840 2.926 2.104 3.731 . 0 0 "[ . 1 . 2]" 1
588 1 43 ARG QD 1 44 LEU H . . 5.500 4.605 4.133 5.510 0.010 3 0 "[ . 1 . 2]" 1
589 1 44 LEU H 1 44 LEU HB2 . . 3.760 2.184 1.984 2.408 . 0 0 "[ . 1 . 2]" 1
590 1 44 LEU H 1 44 LEU HB3 . . 3.760 2.924 2.623 3.581 . 0 0 "[ . 1 . 2]" 1
591 1 44 LEU H 1 44 LEU QD . . 5.120 3.381 2.889 3.621 . 0 0 "[ . 1 . 2]" 1
592 1 44 LEU H 1 45 MET H . . 4.190 2.770 2.449 2.972 . 0 0 "[ . 1 . 2]" 1
593 1 44 LEU H 1 46 ARG QG . . 5.340 4.756 4.049 5.267 . 0 0 "[ . 1 . 2]" 1
594 1 44 LEU H 1 47 TRP H . . 5.500 4.934 4.696 5.332 . 0 0 "[ . 1 . 2]" 1
595 1 44 LEU H 1 60 LEU QD . . 5.440 4.425 4.127 4.711 . 0 0 "[ . 1 . 2]" 1
596 1 44 LEU HA 1 44 LEU MD1 . . 4.190 2.416 1.867 3.860 . 0 0 "[ . 1 . 2]" 1
597 1 44 LEU HA 1 44 LEU QD . . 3.420 1.969 1.862 2.223 . 0 0 "[ . 1 . 2]" 1
598 1 44 LEU HA 1 44 LEU MD2 . . 4.190 3.325 1.994 3.833 . 0 0 "[ . 1 . 2]" 1
599 1 44 LEU HA 1 47 TRP H . . 4.630 3.878 3.505 4.111 . 0 0 "[ . 1 . 2]" 1
600 1 44 LEU HA 1 47 TRP QB . . 4.660 3.315 2.842 4.025 . 0 0 "[ . 1 . 2]" 1
601 1 44 LEU HA 1 47 TRP HD1 . . 3.960 2.608 2.330 3.040 . 0 0 "[ . 1 . 2]" 1
602 1 44 LEU QB 1 44 LEU QD . . 2.540 1.960 1.933 2.016 . 0 0 "[ . 1 . 2]" 1
603 1 44 LEU QB 1 45 MET H . . 3.910 2.393 2.153 2.603 . 0 0 "[ . 1 . 2]" 1
604 1 44 LEU QB 1 72 TRP HZ2 . . 5.340 5.186 4.863 5.364 0.024 2 0 "[ . 1 . 2]" 1
605 1 44 LEU HB2 1 44 LEU MD1 . . 3.490 2.525 2.291 2.679 . 0 0 "[ . 1 . 2]" 1
606 1 44 LEU HB2 1 44 LEU MD2 . . 3.490 2.461 2.147 3.197 . 0 0 "[ . 1 . 2]" 1
607 1 44 LEU HB3 1 44 LEU MD1 . . 3.490 2.966 2.293 3.193 . 0 0 "[ . 1 . 2]" 1
608 1 44 LEU HB3 1 44 LEU MD2 . . 3.490 2.444 2.290 2.593 . 0 0 "[ . 1 . 2]" 1
609 1 44 LEU QD 1 47 TRP HD1 . . 3.930 3.215 2.905 3.561 . 0 0 "[ . 1 . 2]" 1
610 1 44 LEU QD 1 47 TRP HE1 . . 4.790 4.871 4.797 4.933 0.143 2 0 "[ . 1 . 2]" 1
611 1 44 LEU QD 1 63 LEU QB . . 3.010 2.620 2.058 3.063 0.053 6 0 "[ . 1 . 2]" 1
612 1 44 LEU QD 1 63 LEU QD . . 3.570 2.900 2.182 3.594 0.024 3 0 "[ . 1 . 2]" 1
613 1 44 LEU QD 1 64 TYR HA . . 4.000 3.580 3.164 4.016 0.016 4 0 "[ . 1 . 2]" 1
614 1 44 LEU QD 1 64 TYR QB . . 4.220 4.195 3.959 4.305 0.085 9 0 "[ . 1 . 2]" 1
615 1 44 LEU QD 1 64 TYR QD . . 4.400 3.270 3.099 3.351 . 0 0 "[ . 1 . 2]" 1
616 1 44 LEU QD 1 64 TYR QE . . 4.420 2.719 2.365 2.838 . 0 0 "[ . 1 . 2]" 1
617 1 44 LEU QD 1 72 TRP HH2 . . 4.680 2.177 1.853 2.595 . 0 0 "[ . 1 . 2]" 1
618 1 44 LEU QD 1 72 TRP HZ2 . . 3.510 2.324 2.058 2.623 . 0 0 "[ . 1 . 2]" 1
619 1 44 LEU MD1 1 63 LEU HB2 . . 5.400 3.368 2.533 4.373 . 0 0 "[ . 1 . 2]" 1
620 1 44 LEU MD1 1 63 LEU HB3 . . 5.400 3.310 2.189 4.928 . 0 0 "[ . 1 . 2]" 1
621 1 44 LEU MD1 1 64 TYR HA . . 4.890 4.459 3.838 4.891 0.001 16 0 "[ . 1 . 2]" 1
622 1 44 LEU MD1 1 64 TYR QB . . 5.500 5.284 4.452 5.626 0.126 2 0 "[ . 1 . 2]" 1
623 1 44 LEU MD1 1 64 TYR QD . . 5.200 4.399 3.311 4.882 . 0 0 "[ . 1 . 2]" 1
624 1 44 LEU MD1 1 72 TRP HH2 . . 5.350 2.808 1.866 5.057 . 0 0 "[ . 1 . 2]" 1
625 1 44 LEU MD1 1 72 TRP HZ2 . . 4.380 2.794 2.064 4.336 . 0 0 "[ . 1 . 2]" 1
626 1 44 LEU MD2 1 63 LEU HB2 . . 5.400 3.623 2.882 4.434 . 0 0 "[ . 1 . 2]" 1
627 1 44 LEU MD2 1 63 LEU HB3 . . 5.400 3.949 2.881 5.053 . 0 0 "[ . 1 . 2]" 1
628 1 44 LEU MD2 1 64 TYR HA . . 4.890 3.898 3.237 4.920 0.030 4 0 "[ . 1 . 2]" 1
629 1 44 LEU MD2 1 64 TYR QB . . 5.500 4.595 4.054 5.579 0.079 19 0 "[ . 1 . 2]" 1
630 1 44 LEU MD2 1 64 TYR QD . . 5.200 3.634 3.135 4.725 . 0 0 "[ . 1 . 2]" 1
631 1 44 LEU MD2 1 72 TRP HH2 . . 5.350 4.022 1.855 4.909 . 0 0 "[ . 1 . 2]" 1
632 1 44 LEU MD2 1 72 TRP HZ2 . . 4.380 3.717 2.153 4.389 0.009 9 0 "[ . 1 . 2]" 1
633 1 45 MET H 1 45 MET HB2 . . 3.760 3.127 2.455 3.722 . 0 0 "[ . 1 . 2]" 1
634 1 45 MET H 1 45 MET QB . . 3.250 2.504 2.254 2.768 . 0 0 "[ . 1 . 2]" 1
635 1 45 MET H 1 45 MET HB3 . . 3.760 2.808 2.481 3.646 . 0 0 "[ . 1 . 2]" 1
636 1 45 MET H 1 45 MET QG . . 4.200 2.839 2.040 4.052 . 0 0 "[ . 1 . 2]" 1
637 1 45 MET H 1 46 ARG H . . 3.940 2.479 2.227 2.649 . 0 0 "[ . 1 . 2]" 1
638 1 45 MET H 1 46 ARG QG . . 4.220 4.240 4.153 4.319 0.099 14 0 "[ . 1 . 2]" 1
639 1 45 MET H 1 60 LEU QD . . 5.000 3.159 2.870 3.578 . 0 0 "[ . 1 . 2]" 1
640 1 45 MET HA 1 60 LEU QD . . 3.790 2.163 1.936 2.359 . 0 0 "[ . 1 . 2]" 1
641 1 45 MET QB 1 46 ARG H . . 4.200 3.365 2.637 3.777 . 0 0 "[ . 1 . 2]" 1
642 1 45 MET HB2 1 46 ARG H . . 4.850 3.980 3.126 4.224 . 0 0 "[ . 1 . 2]" 1
643 1 45 MET HB3 1 46 ARG H . . 4.850 3.797 2.690 4.334 . 0 0 "[ . 1 . 2]" 1
644 1 45 MET ME 1 60 LEU MD1 . . 4.480 4.531 4.092 4.614 0.134 9 0 "[ . 1 . 2]" 1
645 1 45 MET ME 1 60 LEU QD . . 3.700 2.597 2.337 3.402 . 0 0 "[ . 1 . 2]" 1
646 1 45 MET ME 1 60 LEU MD2 . . 4.480 2.617 2.345 3.513 . 0 0 "[ . 1 . 2]" 1
647 1 45 MET QG 1 60 LEU QD . . 3.990 3.145 1.944 4.030 0.040 11 0 "[ . 1 . 2]" 1
648 1 46 ARG H 1 46 ARG HB2 . . 3.750 2.579 2.130 3.663 . 0 0 "[ . 1 . 2]" 1
649 1 46 ARG H 1 46 ARG QB . . 3.260 2.485 2.111 2.639 . 0 0 "[ . 1 . 2]" 1
650 1 46 ARG H 1 46 ARG HB3 . . 3.750 3.595 2.678 3.701 . 0 0 "[ . 1 . 2]" 1
651 1 46 ARG H 1 46 ARG QD . . 5.500 4.189 3.516 4.482 . 0 0 "[ . 1 . 2]" 1
652 1 46 ARG H 1 47 TRP H . . 4.020 2.548 2.403 2.769 . 0 0 "[ . 1 . 2]" 1
653 1 46 ARG H 1 47 TRP QB . . 5.340 4.473 4.276 4.800 . 0 0 "[ . 1 . 2]" 1
654 1 46 ARG H 1 47 TRP HD1 . . 5.500 5.224 4.970 5.487 . 0 0 "[ . 1 . 2]" 1
655 1 46 ARG H 1 48 LEU H . . 5.500 3.992 3.824 4.173 . 0 0 "[ . 1 . 2]" 1
656 1 46 ARG HA 1 46 ARG QD . . 4.610 3.372 1.931 4.514 . 0 0 "[ . 1 . 2]" 1
657 1 46 ARG HA 1 46 ARG QG . . 3.530 2.606 2.187 3.357 . 0 0 "[ . 1 . 2]" 1
658 1 46 ARG HA 1 49 HIS H . . 4.960 3.887 3.447 4.829 . 0 0 "[ . 1 . 2]" 1
659 1 46 ARG QB 1 46 ARG QD . . 3.030 2.367 1.972 2.594 . 0 0 "[ . 1 . 2]" 1
660 1 46 ARG QB 1 47 TRP H . . 4.050 2.559 2.180 3.609 . 0 0 "[ . 1 . 2]" 1
661 1 46 ARG HB2 1 47 TRP H . . 4.840 2.638 2.205 3.980 . 0 0 "[ . 1 . 2]" 1
662 1 46 ARG HB3 1 47 TRP H . . 4.840 3.569 3.036 4.134 . 0 0 "[ . 1 . 2]" 1
663 1 46 ARG QD 1 47 TRP H . . 5.500 5.023 4.135 5.412 . 0 0 "[ . 1 . 2]" 1
664 1 47 TRP H 1 47 TRP QB . . 3.530 2.357 2.278 2.442 . 0 0 "[ . 1 . 2]" 1
665 1 47 TRP H 1 47 TRP HD1 . . 4.560 3.626 3.386 3.841 . 0 0 "[ . 1 . 2]" 1
666 1 47 TRP H 1 48 LEU H . . 4.080 2.643 2.404 2.770 . 0 0 "[ . 1 . 2]" 1
667 1 47 TRP HA 1 50 TRP H . . 5.020 3.032 2.940 3.149 . 0 0 "[ . 1 . 2]" 1
668 1 47 TRP HA 1 50 TRP QB . . 4.860 2.180 1.910 2.399 . 0 0 "[ . 1 . 2]" 1
669 1 47 TRP HA 1 51 PHE H . . 5.500 4.015 3.797 4.322 . 0 0 "[ . 1 . 2]" 1
670 1 47 TRP QB 1 48 LEU H . . 4.270 2.805 2.679 2.983 . 0 0 "[ . 1 . 2]" 1
671 1 47 TRP QB 1 51 PHE QE . . 5.340 2.548 2.208 3.211 . 0 0 "[ . 1 . 2]" 1
672 1 47 TRP HB2 1 48 LEU H . . 4.960 2.907 2.765 3.099 . 0 0 "[ . 1 . 2]" 1
673 1 47 TRP HB3 1 48 LEU H . . 4.960 3.699 3.525 3.942 . 0 0 "[ . 1 . 2]" 1
674 1 47 TRP HD1 1 48 LEU H . . 5.500 5.271 5.086 5.496 . 0 0 "[ . 1 . 2]" 1
675 1 48 LEU H 1 48 LEU HB2 . . 3.710 2.500 2.354 2.583 . 0 0 "[ . 1 . 2]" 1
676 1 48 LEU H 1 48 LEU HB3 . . 3.710 2.563 2.510 2.633 . 0 0 "[ . 1 . 2]" 1
677 1 48 LEU H 1 48 LEU MD1 . . 5.330 4.146 4.071 4.303 . 0 0 "[ . 1 . 2]" 1
678 1 48 LEU H 1 48 LEU QD . . 4.570 3.730 3.698 3.766 . 0 0 "[ . 1 . 2]" 1
679 1 48 LEU H 1 48 LEU MD2 . . 5.330 4.241 4.034 4.336 . 0 0 "[ . 1 . 2]" 1
680 1 48 LEU H 1 48 LEU HG . . 4.770 4.512 4.467 4.640 . 0 0 "[ . 1 . 2]" 1
681 1 48 LEU H 1 49 HIS H . . 4.330 2.717 2.616 2.787 . 0 0 "[ . 1 . 2]" 1
682 1 48 LEU H 1 63 LEU QD . . 4.890 4.482 3.447 4.894 0.004 18 0 "[ . 1 . 2]" 1
683 1 48 LEU HA 1 48 LEU QD . . 3.640 2.129 2.066 2.195 . 0 0 "[ . 1 . 2]" 1
684 1 48 LEU HA 1 50 TRP H . . 5.500 4.277 3.973 4.563 . 0 0 "[ . 1 . 2]" 1
685 1 48 LEU HA 1 51 PHE QD . . 4.200 2.203 1.827 3.738 . 0 0 "[ . 1 . 2]" 1
686 1 48 LEU HA 1 63 LEU QD . . 4.440 3.953 3.157 4.322 . 0 0 "[ . 1 . 2]" 1
687 1 48 LEU QB 1 48 LEU QD . . 2.560 1.979 1.940 2.094 . 0 0 "[ . 1 . 2]" 1
688 1 48 LEU QB 1 48 LEU HG . . 2.310 2.308 2.157 2.353 0.043 13 0 "[ . 1 . 2]" 1
689 1 48 LEU QB 1 49 HIS H . . 3.860 2.627 2.516 2.857 . 0 0 "[ . 1 . 2]" 1
690 1 48 LEU QB 1 60 LEU QD . . 3.970 2.143 1.914 2.605 . 0 0 "[ . 1 . 2]" 1
691 1 48 LEU QB 1 63 LEU QD . . 4.320 3.976 3.190 4.346 0.026 14 0 "[ . 1 . 2]" 1
692 1 48 LEU HB2 1 49 HIS H . . 4.670 3.897 3.843 4.022 . 0 0 "[ . 1 . 2]" 1
693 1 48 LEU HB3 1 49 HIS H . . 4.670 2.671 2.550 2.923 . 0 0 "[ . 1 . 2]" 1
694 1 48 LEU QD 1 50 TRP H . . 5.440 5.042 4.459 5.341 . 0 0 "[ . 1 . 2]" 1
695 1 48 LEU QD 1 51 PHE QD . . 5.440 3.272 2.363 4.662 . 0 0 "[ . 1 . 2]" 1
696 1 48 LEU QD 1 52 ARG QG . . 4.010 3.401 2.568 4.071 0.061 19 0 "[ . 1 . 2]" 1
697 1 48 LEU QD 1 58 LEU H . . 5.440 3.947 3.164 4.612 . 0 0 "[ . 1 . 2]" 1
698 1 48 LEU QD 1 58 LEU QD . . 4.050 2.654 1.997 4.123 0.073 10 0 "[ . 1 . 2]" 1
699 1 48 LEU QD 1 59 THR H . . 5.440 4.359 4.006 4.819 . 0 0 "[ . 1 . 2]" 1
700 1 48 LEU QD 1 60 LEU H . . 4.020 2.489 2.169 3.041 . 0 0 "[ . 1 . 2]" 1
701 1 48 LEU QD 1 60 LEU HA . . 4.370 3.118 2.746 3.588 . 0 0 "[ . 1 . 2]" 1
702 1 48 LEU QD 1 63 LEU QD . . 3.900 3.524 3.191 3.866 . 0 0 "[ . 1 . 2]" 1
703 1 48 LEU MD1 1 49 HIS H . . 5.500 4.292 3.302 4.638 . 0 0 "[ . 1 . 2]" 1
704 1 48 LEU MD1 1 52 ARG QD . . 4.240 3.254 2.430 4.020 . 0 0 "[ . 1 . 2]" 1
705 1 48 LEU MD1 1 60 LEU H . . 4.850 2.971 2.219 4.315 . 0 0 "[ . 1 . 2]" 1
706 1 48 LEU MD2 1 49 HIS H . . 5.500 4.386 4.211 4.665 . 0 0 "[ . 1 . 2]" 1
707 1 48 LEU MD2 1 52 ARG QD . . 4.240 4.089 3.354 4.299 0.059 13 0 "[ . 1 . 2]" 1
708 1 48 LEU MD2 1 60 LEU H . . 4.850 3.024 2.327 3.486 . 0 0 "[ . 1 . 2]" 1
709 1 48 LEU HG 1 49 HIS H . . 5.500 4.073 3.642 5.040 . 0 0 "[ . 1 . 2]" 1
710 1 49 HIS H 1 49 HIS QB . . 3.560 2.359 2.239 2.615 . 0 0 "[ . 1 . 2]" 1
711 1 49 HIS H 1 49 HIS HD2 . . 5.500 4.673 2.557 5.206 . 0 0 "[ . 1 . 2]" 1
712 1 49 HIS H 1 50 TRP H . . 4.150 2.377 2.290 2.508 . 0 0 "[ . 1 . 2]" 1
713 1 49 HIS H 1 51 PHE QB . . 5.340 5.153 4.874 5.355 0.015 20 0 "[ . 1 . 2]" 1
714 1 49 HIS HA 1 52 ARG H . . 5.010 3.514 3.103 4.061 . 0 0 "[ . 1 . 2]" 1
715 1 49 HIS HA 1 52 ARG QB . . 3.730 2.859 2.077 3.750 0.020 17 0 "[ . 1 . 2]" 1
716 1 49 HIS HA 1 53 LYS H . . 5.500 4.543 3.874 5.314 . 0 0 "[ . 1 . 2]" 1
717 1 49 HIS QB 1 50 TRP H . . 4.110 2.800 2.496 3.762 . 0 0 "[ . 1 . 2]" 1
718 1 50 TRP H 1 50 TRP HB2 . . 3.900 2.434 2.261 2.584 . 0 0 "[ . 1 . 2]" 1
719 1 50 TRP H 1 50 TRP HB3 . . 3.900 2.565 2.394 2.779 . 0 0 "[ . 1 . 2]" 1
720 1 50 TRP H 1 50 TRP HE3 . . 5.500 4.774 4.535 5.061 . 0 0 "[ . 1 . 2]" 1
721 1 50 TRP H 1 51 PHE H . . 4.340 2.641 2.404 2.899 . 0 0 "[ . 1 . 2]" 1
722 1 50 TRP H 1 51 PHE HA . . 5.500 5.278 5.095 5.502 0.002 16 0 "[ . 1 . 2]" 1
723 1 50 TRP HA 1 50 TRP HD1 . . 4.600 3.403 3.298 3.567 . 0 0 "[ . 1 . 2]" 1
724 1 50 TRP QB 1 51 PHE H . . 4.070 2.544 2.225 2.771 . 0 0 "[ . 1 . 2]" 1
725 1 50 TRP HB2 1 51 PHE H . . 4.920 3.811 3.691 3.957 . 0 0 "[ . 1 . 2]" 1
726 1 50 TRP HB3 1 51 PHE H . . 4.920 2.586 2.243 2.858 . 0 0 "[ . 1 . 2]" 1
727 1 50 TRP HE3 1 51 PHE H . . 4.570 3.126 2.441 4.012 . 0 0 "[ . 1 . 2]" 1
728 1 50 TRP HE3 1 51 PHE HA . . 4.120 2.651 2.188 3.285 . 0 0 "[ . 1 . 2]" 1
729 1 50 TRP HH2 1 76 MET ME . . 5.500 3.749 2.453 5.240 . 0 0 "[ . 1 . 2]" 1
730 1 50 TRP HZ3 1 76 MET ME . . 4.200 2.354 1.964 3.295 . 0 0 "[ . 1 . 2]" 1
731 1 51 PHE H 1 51 PHE QB . . 3.550 2.428 2.218 2.592 . 0 0 "[ . 1 . 2]" 1
732 1 51 PHE H 1 51 PHE QD . . 4.330 2.765 2.193 3.201 . 0 0 "[ . 1 . 2]" 1
733 1 51 PHE H 1 52 ARG H . . 4.430 2.656 2.514 2.961 . 0 0 "[ . 1 . 2]" 1
734 1 51 PHE H 1 52 ARG HA . . 5.500 5.233 5.138 5.412 . 0 0 "[ . 1 . 2]" 1
735 1 51 PHE HA 1 51 PHE QD . . 3.990 2.585 2.108 3.083 . 0 0 "[ . 1 . 2]" 1
736 1 51 PHE HA 1 51 PHE QE . . 5.380 4.516 4.370 4.786 . 0 0 "[ . 1 . 2]" 1
737 1 51 PHE HA 1 54 ASN H . . 5.490 4.344 3.568 5.007 . 0 0 "[ . 1 . 2]" 1
738 1 51 PHE HA 1 56 TYR QB . . 5.340 2.728 2.247 3.087 . 0 0 "[ . 1 . 2]" 1
739 1 51 PHE HA 1 56 TYR QD . . 3.950 2.919 2.338 4.015 0.065 13 0 "[ . 1 . 2]" 1
740 1 51 PHE HB2 1 52 ARG H . . 4.020 2.351 2.125 2.566 . 0 0 "[ . 1 . 2]" 1
741 1 51 PHE HB3 1 52 ARG H . . 4.020 3.274 3.070 3.678 . 0 0 "[ . 1 . 2]" 1
742 1 51 PHE QD 1 52 ARG H . . 5.500 4.046 3.792 4.220 . 0 0 "[ . 1 . 2]" 1
743 1 51 PHE QD 1 56 TYR QD . . 3.400 3.471 3.227 3.535 0.135 9 0 "[ . 1 . 2]" 1
744 1 51 PHE QD 1 58 LEU QD . . 4.900 2.561 2.179 2.966 . 0 0 "[ . 1 . 2]" 1
745 1 51 PHE QD 1 63 LEU MD1 . . 5.500 3.795 2.876 4.784 . 0 0 "[ . 1 . 2]" 1
746 1 51 PHE QD 1 63 LEU QD . . 4.480 3.649 2.790 4.476 . 0 0 "[ . 1 . 2]" 1
747 1 51 PHE QD 1 63 LEU MD2 . . 5.500 4.989 3.768 5.429 . 0 0 "[ . 1 . 2]" 1
748 1 51 PHE QD 1 76 MET ME . . 5.500 2.001 1.798 2.358 . 0 0 "[ . 1 . 2]" 1
749 1 51 PHE QE 1 58 LEU QD . . 4.410 2.558 2.050 2.886 . 0 0 "[ . 1 . 2]" 1
750 1 51 PHE QE 1 63 LEU MD1 . . 4.790 2.504 1.976 3.904 . 0 0 "[ . 1 . 2]" 1
751 1 51 PHE QE 1 63 LEU MD2 . . 4.790 3.814 2.410 4.367 . 0 0 "[ . 1 . 2]" 1
752 1 51 PHE QE 1 76 MET ME . . 3.390 2.228 1.857 3.033 . 0 0 "[ . 1 . 2]" 1
753 1 51 PHE HZ 1 63 LEU QD . . 5.410 3.037 2.495 3.885 . 0 0 "[ . 1 . 2]" 1
754 1 51 PHE HZ 1 72 TRP QB . . 4.980 2.241 1.861 3.230 . 0 0 "[ . 1 . 2]" 1
755 1 51 PHE HZ 1 72 TRP HE3 . . 4.490 2.041 1.832 2.596 . 0 0 "[ . 1 . 2]" 1
756 1 52 ARG H 1 52 ARG QB . . 3.240 2.323 1.970 2.547 . 0 0 "[ . 1 . 2]" 1
757 1 52 ARG H 1 52 ARG QG . . 4.300 2.710 2.132 3.838 . 0 0 "[ . 1 . 2]" 1
758 1 52 ARG H 1 53 LYS H . . 3.850 2.697 2.509 2.974 . 0 0 "[ . 1 . 2]" 1
759 1 52 ARG HA 1 52 ARG QD . . 4.160 3.842 2.471 4.046 . 0 0 "[ . 1 . 2]" 1
760 1 52 ARG HA 1 52 ARG QG . . 3.200 2.390 2.236 2.738 . 0 0 "[ . 1 . 2]" 1
761 1 52 ARG HA 1 55 GLY H . . 4.800 3.247 2.925 3.840 . 0 0 "[ . 1 . 2]" 1
762 1 52 ARG HA 1 56 TYR H . . 4.240 2.668 1.952 3.967 . 0 0 "[ . 1 . 2]" 1
763 1 52 ARG QB 1 52 ARG QD . . 3.450 2.245 2.069 2.326 . 0 0 "[ . 1 . 2]" 1
764 1 52 ARG QB 1 52 ARG QG . . 2.470 2.060 1.983 2.095 . 0 0 "[ . 1 . 2]" 1
765 1 52 ARG QB 1 53 LYS H . . 3.870 3.264 2.800 3.496 . 0 0 "[ . 1 . 2]" 1
766 1 52 ARG QB 1 58 LEU H . . 5.500 5.609 5.515 5.732 0.232 13 0 "[ . 1 . 2]" 1
767 1 52 ARG QG 1 58 LEU H . . 4.890 3.975 3.400 5.008 0.118 15 0 "[ . 1 . 2]" 1
768 1 53 LYS H 1 53 LYS HB2 . . 3.870 2.896 2.351 3.663 . 0 0 "[ . 1 . 2]" 1
769 1 53 LYS H 1 53 LYS QB . . 3.330 2.407 2.149 2.828 . 0 0 "[ . 1 . 2]" 1
770 1 53 LYS H 1 53 LYS HB3 . . 3.870 2.919 2.314 3.729 . 0 0 "[ . 1 . 2]" 1
771 1 53 LYS H 1 53 LYS QG . . 4.920 2.962 1.922 4.017 . 0 0 "[ . 1 . 2]" 1
772 1 53 LYS H 1 54 ASN H . . 4.080 2.785 2.199 3.040 . 0 0 "[ . 1 . 2]" 1
773 1 53 LYS H 1 55 GLY H . . 5.500 3.943 3.511 4.278 . 0 0 "[ . 1 . 2]" 1
774 1 53 LYS HA 1 53 LYS QB . . 2.620 2.296 2.179 2.442 . 0 0 "[ . 1 . 2]" 1
775 1 53 LYS HA 1 53 LYS QE . . 5.500 4.821 2.050 5.590 0.090 9 0 "[ . 1 . 2]" 1
776 1 53 LYS HA 1 53 LYS QG . . 3.900 2.876 2.526 3.495 . 0 0 "[ . 1 . 2]" 1
777 1 53 LYS QB 1 54 ASN H . . 4.110 2.773 2.115 3.701 . 0 0 "[ . 1 . 2]" 1
778 1 53 LYS HD2 1 53 LYS QG . . 2.500 2.300 2.167 2.408 . 0 0 "[ . 1 . 2]" 1
779 1 53 LYS HD3 1 53 LYS QG . . 2.500 2.320 2.178 2.495 . 0 0 "[ . 1 . 2]" 1
780 1 53 LYS QG 1 54 ASN H . . 5.500 3.354 2.209 4.456 . 0 0 "[ . 1 . 2]" 1
781 1 54 ASN H 1 54 ASN QB . . 3.430 2.481 2.317 2.548 . 0 0 "[ . 1 . 2]" 1
782 1 54 ASN H 1 55 GLY H . . 3.870 2.395 2.217 2.536 . 0 0 "[ . 1 . 2]" 1
783 1 54 ASN H 1 55 GLY QA . . 5.340 4.196 4.061 4.502 . 0 0 "[ . 1 . 2]" 1
784 1 54 ASN H 1 56 TYR H . . 5.270 3.076 2.796 4.033 . 0 0 "[ . 1 . 2]" 1
785 1 54 ASN QB 1 56 TYR H . . 5.340 3.437 2.956 3.987 . 0 0 "[ . 1 . 2]" 1
786 1 54 ASN QB 1 56 TYR QD . . 4.300 2.703 2.020 3.254 . 0 0 "[ . 1 . 2]" 1
787 1 54 ASN QB 1 56 TYR QE . . 3.810 2.532 1.995 2.995 . 0 0 "[ . 1 . 2]" 1
788 1 54 ASN HB2 1 56 TYR QE . . 4.630 2.983 2.016 3.862 . 0 0 "[ . 1 . 2]" 1
789 1 54 ASN HB3 1 56 TYR QE . . 4.630 3.201 2.244 4.078 . 0 0 "[ . 1 . 2]" 1
790 1 55 GLY H 1 56 TYR H . . 3.890 2.524 2.066 2.859 . 0 0 "[ . 1 . 2]" 1
791 1 56 TYR H 1 56 TYR QB . . 3.590 2.448 2.293 2.548 . 0 0 "[ . 1 . 2]" 1
792 1 56 TYR H 1 56 TYR QD . . 3.790 3.013 1.879 3.538 . 0 0 "[ . 1 . 2]" 1
793 1 56 TYR H 1 56 TYR QE . . 5.500 4.715 4.070 5.036 . 0 0 "[ . 1 . 2]" 1
794 1 56 TYR HA 1 57 ARG H . . 3.320 2.419 2.187 2.540 . 0 0 "[ . 1 . 2]" 1
795 1 56 TYR QB 1 58 LEU QD . . 4.190 3.709 2.484 4.232 0.042 14 0 "[ . 1 . 2]" 1
796 1 56 TYR QD 1 57 ARG H . . 5.500 3.278 2.622 3.680 . 0 0 "[ . 1 . 2]" 1
797 1 56 TYR QD 1 76 MET HA . . 4.830 3.817 2.938 4.573 . 0 0 "[ . 1 . 2]" 1
798 1 56 TYR QE 1 76 MET HA . . 5.500 5.246 4.408 5.552 0.052 14 0 "[ . 1 . 2]" 1
799 1 56 TYR QE 1 76 MET QB . . 3.630 3.550 3.110 3.723 0.093 19 0 "[ . 1 . 2]" 1
800 1 56 TYR QE 1 76 MET ME . . 3.390 3.210 3.008 3.451 0.061 13 0 "[ . 1 . 2]" 1
801 1 57 ARG H 1 57 ARG HB2 . . 4.100 3.071 2.535 3.970 . 0 0 "[ . 1 . 2]" 1
802 1 57 ARG H 1 57 ARG QB . . 3.400 2.798 2.347 3.384 . 0 0 "[ . 1 . 2]" 1
803 1 57 ARG H 1 57 ARG HB3 . . 4.100 3.561 2.538 3.998 . 0 0 "[ . 1 . 2]" 1
804 1 57 ARG H 1 57 ARG QD . . 5.500 4.199 2.035 5.009 . 0 0 "[ . 1 . 2]" 1
805 1 57 ARG H 1 57 ARG QG . . 4.020 3.273 2.349 4.093 0.073 11 0 "[ . 1 . 2]" 1
806 1 57 ARG H 1 58 LEU H . . 5.340 3.883 3.285 4.160 . 0 0 "[ . 1 . 2]" 1
807 1 57 ARG H 1 58 LEU HA . . 5.500 5.172 4.733 5.454 . 0 0 "[ . 1 . 2]" 1
808 1 57 ARG H 1 76 MET ME . . 4.400 4.629 4.532 4.713 0.313 12 0 "[ . 1 . 2]" 1
809 1 57 ARG HA 1 58 LEU H . . 3.300 2.203 1.999 2.516 . 0 0 "[ . 1 . 2]" 1
810 1 57 ARG QB 1 57 ARG QD . . 2.560 2.247 2.025 2.575 0.015 10 0 "[ . 1 . 2]" 1
811 1 57 ARG QB 1 57 ARG QG . . 2.150 2.051 1.962 2.097 . 0 0 "[ . 1 . 2]" 1
812 1 57 ARG HB2 1 57 ARG QD . . 3.120 2.653 2.193 3.279 0.159 2 0 "[ . 1 . 2]" 1
813 1 57 ARG HB3 1 57 ARG QD . . 3.120 2.618 2.159 3.326 0.206 10 0 "[ . 1 . 2]" 1
814 1 57 ARG QD 1 57 ARG QG . . 2.310 2.035 1.976 2.096 . 0 0 "[ . 1 . 2]" 1
815 1 58 LEU H 1 58 LEU QB . . 3.640 3.263 2.654 3.438 . 0 0 "[ . 1 . 2]" 1
816 1 58 LEU H 1 58 LEU MD1 . . 5.500 3.576 2.812 4.529 . 0 0 "[ . 1 . 2]" 1
817 1 58 LEU H 1 58 LEU QD . . 4.810 3.070 2.167 3.824 . 0 0 "[ . 1 . 2]" 1
818 1 58 LEU H 1 58 LEU MD2 . . 5.500 3.949 2.172 4.478 . 0 0 "[ . 1 . 2]" 1
819 1 58 LEU H 1 58 LEU HG . . 3.920 3.095 2.777 3.928 0.008 13 0 "[ . 1 . 2]" 1
820 1 58 LEU H 1 59 THR H . . 5.130 4.267 4.022 4.479 . 0 0 "[ . 1 . 2]" 1
821 1 58 LEU QB 1 58 LEU QD . . 2.700 1.920 1.890 1.948 . 0 0 "[ . 1 . 2]" 1
822 1 58 LEU QB 1 58 LEU HG . . 2.510 2.399 2.306 2.440 . 0 0 "[ . 1 . 2]" 1
823 1 58 LEU HB2 1 59 THR H . . 4.000 2.708 1.961 4.004 0.004 9 0 "[ . 1 . 2]" 1
824 1 58 LEU HB3 1 59 THR H . . 4.000 3.567 2.726 4.038 0.038 16 0 "[ . 1 . 2]" 1
825 1 58 LEU QD 1 63 LEU QD . . 2.910 1.820 1.667 2.226 . 0 0 "[ . 1 . 2]" 1
826 1 58 LEU QD 1 63 LEU HG . . 3.730 2.859 2.330 3.774 0.044 12 0 "[ . 1 . 2]" 1
827 1 58 LEU QD 1 75 LEU QB . . 3.230 2.208 1.845 3.384 0.154 16 0 "[ . 1 . 2]" 1
828 1 58 LEU QD 1 75 LEU QD . . 3.580 2.420 2.020 3.115 . 0 0 "[ . 1 . 2]" 1
829 1 58 LEU MD1 1 59 THR H . . 5.500 3.670 2.961 4.643 . 0 0 "[ . 1 . 2]" 1
830 1 58 LEU MD1 1 75 LEU HB2 . . 5.300 4.178 2.120 5.312 0.012 15 0 "[ . 1 . 2]" 1
831 1 58 LEU MD1 1 75 LEU HB3 . . 5.300 4.318 2.921 5.087 . 0 0 "[ . 1 . 2]" 1
832 1 58 LEU MD2 1 59 THR H . . 5.500 4.332 2.965 4.922 . 0 0 "[ . 1 . 2]" 1
833 1 58 LEU MD2 1 75 LEU HB2 . . 5.300 2.656 2.153 5.077 . 0 0 "[ . 1 . 2]" 1
834 1 58 LEU MD2 1 75 LEU HB3 . . 5.300 2.855 1.935 5.026 . 0 0 "[ . 1 . 2]" 1
835 1 59 THR H 1 59 THR MG . . 3.890 3.137 2.621 3.880 . 0 0 "[ . 1 . 2]" 1
836 1 59 THR H 1 62 GLU H . . 5.010 4.159 3.409 4.691 . 0 0 "[ . 1 . 2]" 1
837 1 59 THR H 1 62 GLU QB . . 4.770 3.417 2.921 4.112 . 0 0 "[ . 1 . 2]" 1
838 1 59 THR H 1 62 GLU QG . . 3.800 3.329 1.684 3.836 0.036 18 0 "[ . 1 . 2]" 1
839 1 59 THR HA 1 60 LEU H . . 3.330 2.314 2.207 2.570 . 0 0 "[ . 1 . 2]" 1
840 1 59 THR HA 1 61 ARG H . . 5.360 4.046 3.830 4.359 . 0 0 "[ . 1 . 2]" 1
841 1 59 THR HA 1 62 GLU H . . 5.160 4.879 4.638 5.217 0.057 18 0 "[ . 1 . 2]" 1
842 1 59 THR HB 1 60 LEU H . . 3.470 3.054 2.686 3.575 0.105 10 0 "[ . 1 . 2]" 1
843 1 59 THR HB 1 61 ARG H . . 3.950 2.853 2.544 3.296 . 0 0 "[ . 1 . 2]" 1
844 1 59 THR HB 1 62 GLU H . . 5.210 3.761 2.793 4.390 . 0 0 "[ . 1 . 2]" 1
845 1 59 THR MG 1 60 LEU H . . 4.770 3.201 1.770 3.947 . 0 0 "[ . 1 . 2]" 1
846 1 59 THR MG 1 61 ARG H . . 5.500 3.664 1.999 4.531 . 0 0 "[ . 1 . 2]" 1
847 1 60 LEU H 1 60 LEU HB2 . . 3.730 2.268 2.143 2.465 . 0 0 "[ . 1 . 2]" 1
848 1 60 LEU H 1 60 LEU QB . . 3.250 2.145 2.083 2.236 . 0 0 "[ . 1 . 2]" 1
849 1 60 LEU H 1 60 LEU HB3 . . 3.730 2.666 2.551 2.869 . 0 0 "[ . 1 . 2]" 1
850 1 60 LEU H 1 60 LEU MD1 . . 4.990 3.756 3.508 3.953 . 0 0 "[ . 1 . 2]" 1
851 1 60 LEU H 1 60 LEU MD2 . . 4.990 4.182 4.099 4.254 . 0 0 "[ . 1 . 2]" 1
852 1 60 LEU H 1 60 LEU HG . . 4.930 4.523 4.462 4.566 . 0 0 "[ . 1 . 2]" 1
853 1 60 LEU H 1 61 ARG H . . 4.090 2.532 2.376 2.712 . 0 0 "[ . 1 . 2]" 1
854 1 60 LEU H 1 62 GLU H . . 5.500 4.158 3.980 4.238 . 0 0 "[ . 1 . 2]" 1
855 1 60 LEU HA 1 60 LEU MD1 . . 4.230 1.921 1.848 2.031 . 0 0 "[ . 1 . 2]" 1
856 1 60 LEU HA 1 60 LEU QD . . 3.170 1.915 1.844 2.023 . 0 0 "[ . 1 . 2]" 1
857 1 60 LEU HA 1 60 LEU MD2 . . 4.230 3.789 3.725 3.819 . 0 0 "[ . 1 . 2]" 1
858 1 60 LEU HA 1 63 LEU QD . . 5.010 2.652 1.879 3.058 . 0 0 "[ . 1 . 2]" 1
859 1 60 LEU QB 1 60 LEU QD . . 2.120 1.921 1.881 1.954 . 0 0 "[ . 1 . 2]" 1
860 1 60 LEU QB 1 60 LEU HG . . 2.430 2.301 2.269 2.357 . 0 0 "[ . 1 . 2]" 1
861 1 60 LEU QB 1 61 ARG H . . 3.600 2.735 2.597 2.898 . 0 0 "[ . 1 . 2]" 1
862 1 60 LEU QB 1 62 GLU H . . 4.190 4.384 4.358 4.434 0.244 2 0 "[ . 1 . 2]" 1
863 1 60 LEU QB 1 64 TYR H . . 5.340 5.126 4.645 5.371 0.031 19 0 "[ . 1 . 2]" 1
864 1 60 LEU QB 1 64 TYR QD . . 5.340 3.613 3.132 3.935 . 0 0 "[ . 1 . 2]" 1
865 1 60 LEU HB2 1 60 LEU MD1 . . 2.820 2.283 2.161 2.384 . 0 0 "[ . 1 . 2]" 1
866 1 60 LEU HB2 1 60 LEU MD2 . . 2.820 2.352 2.297 2.448 . 0 0 "[ . 1 . 2]" 1
867 1 60 LEU HB3 1 60 LEU MD1 . . 2.820 3.082 3.066 3.094 0.274 16 0 "[ . 1 . 2]" 1
868 1 60 LEU HB3 1 60 LEU MD2 . . 2.820 2.370 2.290 2.439 . 0 0 "[ . 1 . 2]" 1
869 1 60 LEU QD 1 64 TYR QB . . 5.440 4.921 4.437 5.361 . 0 0 "[ . 1 . 2]" 1
870 1 60 LEU QD 1 64 TYR QD . . 4.990 3.540 2.860 3.933 . 0 0 "[ . 1 . 2]" 1
871 1 60 LEU QD 1 64 TYR QE . . 4.140 2.263 2.053 2.637 . 0 0 "[ . 1 . 2]" 1
872 1 60 LEU MD1 1 61 ARG H . . 4.850 4.569 4.477 4.708 . 0 0 "[ . 1 . 2]" 1
873 1 60 LEU MD2 1 61 ARG H . . 4.850 4.726 4.624 4.868 0.018 2 0 "[ . 1 . 2]" 1
874 1 60 LEU HG 1 64 TYR H . . 5.500 4.359 4.136 4.710 . 0 0 "[ . 1 . 2]" 1
875 1 60 LEU HG 1 64 TYR QD . . 4.590 2.861 2.338 3.354 . 0 0 "[ . 1 . 2]" 1
876 1 60 LEU HG 1 64 TYR QE . . 5.500 2.311 1.995 3.373 . 0 0 "[ . 1 . 2]" 1
877 1 61 ARG H 1 61 ARG HB2 . . 3.600 2.686 2.371 3.608 0.008 1 0 "[ . 1 . 2]" 1
878 1 61 ARG H 1 61 ARG QB . . 3.050 2.389 2.132 2.837 . 0 0 "[ . 1 . 2]" 1
879 1 61 ARG H 1 61 ARG HB3 . . 3.600 2.974 2.278 3.620 0.020 19 0 "[ . 1 . 2]" 1
880 1 61 ARG H 1 61 ARG QD . . 5.500 3.985 3.279 4.617 . 0 0 "[ . 1 . 2]" 1
881 1 61 ARG H 1 62 GLU H . . 3.920 2.571 2.313 2.776 . 0 0 "[ . 1 . 2]" 1
882 1 61 ARG H 1 62 GLU QG . . 5.500 4.062 3.345 4.934 . 0 0 "[ . 1 . 2]" 1
883 1 61 ARG HA 1 61 ARG QB . . 2.560 2.325 2.207 2.488 . 0 0 "[ . 1 . 2]" 1
884 1 61 ARG HA 1 64 TYR H . . 4.150 3.520 3.194 3.986 . 0 0 "[ . 1 . 2]" 1
885 1 61 ARG HA 1 64 TYR QB . . 4.220 2.942 2.405 3.364 . 0 0 "[ . 1 . 2]" 1
886 1 61 ARG HA 1 64 TYR QD . . 5.500 2.488 1.919 3.274 . 0 0 "[ . 1 . 2]" 1
887 1 61 ARG HB2 1 61 ARG QD . . 3.080 2.788 2.187 3.342 0.262 20 0 "[ . 1 . 2]" 1
888 1 61 ARG HB2 1 62 GLU H . . 4.290 3.558 2.603 4.219 . 0 0 "[ . 1 . 2]" 1
889 1 61 ARG HB3 1 61 ARG QD . . 3.080 2.660 2.322 3.227 0.147 7 0 "[ . 1 . 2]" 1
890 1 61 ARG HB3 1 62 GLU H . . 4.290 3.508 2.649 4.262 . 0 0 "[ . 1 . 2]" 1
891 1 62 GLU H 1 62 GLU QB . . 3.910 2.462 2.391 2.652 . 0 0 "[ . 1 . 2]" 1
892 1 62 GLU H 1 62 GLU QG . . 3.020 2.371 1.705 3.029 0.009 2 0 "[ . 1 . 2]" 1
893 1 62 GLU H 1 63 LEU QD . . 5.440 4.016 3.161 4.272 . 0 0 "[ . 1 . 2]" 1
894 1 62 GLU HA 1 62 GLU QB . . 2.730 2.364 2.283 2.406 . 0 0 "[ . 1 . 2]" 1
895 1 62 GLU HA 1 62 GLU QG . . 2.600 2.453 2.249 2.851 0.251 14 0 "[ . 1 . 2]" 1
896 1 62 GLU HA 1 65 ALA H . . 4.320 3.262 3.087 3.445 . 0 0 "[ . 1 . 2]" 1
897 1 62 GLU HA 1 65 ALA MB . . 4.000 2.501 2.319 2.822 . 0 0 "[ . 1 . 2]" 1
898 1 62 GLU QB 1 62 GLU QG . . 2.440 2.049 1.995 2.080 . 0 0 "[ . 1 . 2]" 1
899 1 62 GLU QB 1 75 LEU MD1 . . 3.890 2.108 1.915 2.505 . 0 0 "[ . 1 . 2]" 1
900 1 62 GLU QB 1 75 LEU QD . . 2.950 2.070 1.852 2.452 . 0 0 "[ . 1 . 2]" 1
901 1 62 GLU QB 1 75 LEU MD2 . . 3.890 3.071 2.457 3.497 . 0 0 "[ . 1 . 2]" 1
902 1 62 GLU QG 1 63 LEU H . . 3.970 3.987 3.614 4.176 0.206 2 0 "[ . 1 . 2]" 1
903 1 62 GLU QG 1 75 LEU MD1 . . 4.400 3.564 3.124 3.738 . 0 0 "[ . 1 . 2]" 1
904 1 62 GLU QG 1 75 LEU QD . . 3.300 3.294 2.810 3.443 0.143 1 0 "[ . 1 . 2]" 1
905 1 62 GLU QG 1 75 LEU MD2 . . 4.400 3.904 3.187 4.245 . 0 0 "[ . 1 . 2]" 1
906 1 63 LEU H 1 63 LEU QB . . 3.290 2.549 2.333 2.680 . 0 0 "[ . 1 . 2]" 1
907 1 63 LEU H 1 63 LEU QD . . 4.640 2.770 1.874 2.977 . 0 0 "[ . 1 . 2]" 1
908 1 63 LEU H 1 63 LEU HG . . 3.400 2.397 2.241 3.507 0.107 5 0 "[ . 1 . 2]" 1
909 1 63 LEU H 1 64 TYR H . . 3.740 2.397 2.238 2.612 . 0 0 "[ . 1 . 2]" 1
910 1 63 LEU HA 1 63 LEU MD1 . . 4.470 3.768 2.862 3.871 . 0 0 "[ . 1 . 2]" 1
911 1 63 LEU HA 1 63 LEU QD . . 3.310 2.153 2.011 2.785 . 0 0 "[ . 1 . 2]" 1
912 1 63 LEU HA 1 63 LEU MD2 . . 4.470 2.214 2.018 3.815 . 0 0 "[ . 1 . 2]" 1
913 1 63 LEU HA 1 63 LEU HG . . 3.860 3.351 2.552 3.494 . 0 0 "[ . 1 . 2]" 1
914 1 63 LEU HA 1 72 TRP HD1 . . 5.320 3.836 3.395 4.394 . 0 0 "[ . 1 . 2]" 1
915 1 63 LEU HA 1 72 TRP HE1 . . 3.630 3.554 3.116 3.678 0.048 13 0 "[ . 1 . 2]" 1
916 1 63 LEU HA 1 75 LEU QD . . 3.770 3.616 3.006 3.816 0.046 16 0 "[ . 1 . 2]" 1
917 1 63 LEU QB 1 64 TYR H . . 3.750 2.925 2.718 3.068 . 0 0 "[ . 1 . 2]" 1
918 1 63 LEU QB 1 72 TRP HE1 . . 4.350 3.029 2.341 3.362 . 0 0 "[ . 1 . 2]" 1
919 1 63 LEU QB 1 72 TRP HZ2 . . 4.880 3.295 2.537 3.782 . 0 0 "[ . 1 . 2]" 1
920 1 63 LEU HB2 1 72 TRP HE1 . . 5.000 4.733 4.038 5.016 0.016 15 0 "[ . 1 . 2]" 1
921 1 63 LEU HB3 1 72 TRP HE1 . . 5.000 3.065 2.356 3.416 . 0 0 "[ . 1 . 2]" 1
922 1 63 LEU QD 1 64 TYR H . . 5.440 4.115 3.798 4.229 . 0 0 "[ . 1 . 2]" 1
923 1 63 LEU QD 1 64 TYR QE . . 5.440 5.349 4.982 5.501 0.061 10 0 "[ . 1 . 2]" 1
924 1 63 LEU QD 1 72 TRP HD1 . . 5.440 2.817 2.376 3.833 . 0 0 "[ . 1 . 2]" 1
925 1 63 LEU QD 1 72 TRP HE1 . . 4.480 3.291 3.005 3.774 . 0 0 "[ . 1 . 2]" 1
926 1 63 LEU QD 1 75 LEU QD . . 3.620 2.040 1.893 2.544 . 0 0 "[ . 1 . 2]" 1
927 1 63 LEU HG 1 64 TYR H . . 5.480 4.332 4.076 5.121 . 0 0 "[ . 1 . 2]" 1
928 1 64 TYR H 1 64 TYR QB . . 3.300 2.336 2.193 2.412 . 0 0 "[ . 1 . 2]" 1
929 1 64 TYR H 1 64 TYR QD . . 5.230 2.669 2.282 3.274 . 0 0 "[ . 1 . 2]" 1
930 1 64 TYR H 1 65 ALA H . . 3.870 2.389 2.297 2.586 . 0 0 "[ . 1 . 2]" 1
931 1 64 TYR H 1 65 ALA MB . . 5.500 4.061 3.981 4.151 . 0 0 "[ . 1 . 2]" 1
932 1 64 TYR HA 1 64 TYR QD . . 3.760 2.974 2.660 3.160 . 0 0 "[ . 1 . 2]" 1
933 1 64 TYR QB 1 65 ALA H . . 4.100 2.780 2.508 3.474 . 0 0 "[ . 1 . 2]" 1
934 1 64 TYR QD 1 65 ALA H . . 5.500 4.379 4.015 4.984 . 0 0 "[ . 1 . 2]" 1
935 1 65 ALA H 1 65 ALA MB . . 3.300 2.262 2.226 2.366 . 0 0 "[ . 1 . 2]" 1
936 1 65 ALA H 1 66 ALA H . . 4.000 2.582 2.147 2.787 . 0 0 "[ . 1 . 2]" 1
937 1 65 ALA MB 1 66 ALA H . . 4.120 2.388 2.243 2.493 . 0 0 "[ . 1 . 2]" 1
938 1 65 ALA MB 1 66 ALA MB . . 3.760 3.310 3.242 3.364 . 0 0 "[ . 1 . 2]" 1
939 1 66 ALA H 1 67 PRO QD . . 4.720 3.406 3.199 3.525 . 0 0 "[ . 1 . 2]" 1
940 1 66 ALA MB 1 67 PRO QD . . 4.230 3.455 3.405 3.502 . 0 0 "[ . 1 . 2]" 1
941 1 66 ALA MB 1 68 THR H . . 5.190 3.952 3.901 4.030 . 0 0 "[ . 1 . 2]" 1
942 1 66 ALA MB 1 68 THR MG . . 4.110 4.044 3.664 4.164 0.054 5 0 "[ . 1 . 2]" 1
943 1 66 ALA MB 1 71 ALA MB . . 3.480 2.212 2.099 2.497 . 0 0 "[ . 1 . 2]" 1
944 1 67 PRO HA 1 68 THR H . . 3.500 2.279 2.226 2.364 . 0 0 "[ . 1 . 2]" 1
945 1 67 PRO HA 1 72 TRP HE1 . . 3.480 2.343 1.714 3.122 . 0 0 "[ . 1 . 2]" 1
946 1 67 PRO QB 1 68 THR MG . . 5.340 4.162 4.069 4.308 . 0 0 "[ . 1 . 2]" 1
947 1 67 PRO QD 1 68 THR H . . 5.500 4.268 4.141 4.398 . 0 0 "[ . 1 . 2]" 1
948 1 67 PRO QG 1 68 THR MG . . 5.100 4.302 3.922 4.676 . 0 0 "[ . 1 . 2]" 1
949 1 68 THR H 1 68 THR MG . . 4.130 3.341 3.130 3.483 . 0 0 "[ . 1 . 2]" 1
950 1 68 THR H 1 71 ALA H . . 5.500 3.764 3.513 3.977 . 0 0 "[ . 1 . 2]" 1
951 1 68 THR H 1 71 ALA MB . . 3.790 2.752 2.451 3.084 . 0 0 "[ . 1 . 2]" 1
952 1 68 THR H 1 72 TRP H . . 5.500 4.071 3.623 4.542 . 0 0 "[ . 1 . 2]" 1
953 1 68 THR H 1 72 TRP HD1 . . 5.010 2.990 2.526 3.576 . 0 0 "[ . 1 . 2]" 1
954 1 68 THR H 1 72 TRP HE1 . . 4.810 2.745 2.456 3.033 . 0 0 "[ . 1 . 2]" 1
955 1 68 THR HA 1 68 THR MG . . 2.900 2.297 2.181 2.406 . 0 0 "[ . 1 . 2]" 1
956 1 68 THR HA 1 70 ALA H . . 5.500 4.275 3.992 4.666 . 0 0 "[ . 1 . 2]" 1
957 1 68 THR HA 1 71 ALA H . . 5.500 4.712 4.485 5.117 . 0 0 "[ . 1 . 2]" 1
958 1 68 THR HB 1 69 LEU H . . 4.260 2.812 2.324 3.074 . 0 0 "[ . 1 . 2]" 1
959 1 68 THR HB 1 70 ALA H . . 4.020 2.799 2.408 3.096 . 0 0 "[ . 1 . 2]" 1
960 1 68 THR HB 1 70 ALA MB . . 5.500 3.101 2.710 4.027 . 0 0 "[ . 1 . 2]" 1
961 1 68 THR HB 1 71 ALA H . . 4.760 3.315 2.990 3.836 . 0 0 "[ . 1 . 2]" 1
962 1 68 THR MG 1 69 LEU H . . 5.500 3.639 3.372 3.850 . 0 0 "[ . 1 . 2]" 1
963 1 68 THR MG 1 70 ALA H . . 5.500 4.368 4.040 4.610 . 0 0 "[ . 1 . 2]" 1
964 1 68 THR MG 1 71 ALA H . . 5.500 4.408 4.217 4.743 . 0 0 "[ . 1 . 2]" 1
965 1 68 THR MG 1 71 ALA MB . . 4.930 4.066 3.763 4.667 . 0 0 "[ . 1 . 2]" 1
966 1 69 LEU H 1 69 LEU QB . . 3.530 2.279 2.020 2.441 . 0 0 "[ . 1 . 2]" 1
967 1 69 LEU H 1 70 ALA H . . 4.310 2.720 2.456 2.868 . 0 0 "[ . 1 . 2]" 1
968 1 69 LEU HA 1 69 LEU MD1 . . 3.630 3.375 2.043 3.769 0.139 3 0 "[ . 1 . 2]" 1
969 1 69 LEU HA 1 69 LEU QD . . 3.150 2.115 1.927 3.045 . 0 0 "[ . 1 . 2]" 1
970 1 69 LEU HA 1 69 LEU MD2 . . 3.630 2.472 1.933 3.800 0.170 8 0 "[ . 1 . 2]" 1
971 1 69 LEU HA 1 72 TRP H . . 4.680 3.708 3.140 3.868 . 0 0 "[ . 1 . 2]" 1
972 1 69 LEU HA 1 72 TRP HB2 . . 5.500 3.721 2.369 4.286 . 0 0 "[ . 1 . 2]" 1
973 1 69 LEU HA 1 72 TRP QB . . 4.660 3.638 2.352 4.145 . 0 0 "[ . 1 . 2]" 1
974 1 69 LEU HA 1 72 TRP HB3 . . 5.500 5.177 3.992 5.560 0.060 17 0 "[ . 1 . 2]" 1
975 1 69 LEU HA 1 73 ASN H . . 5.500 4.320 4.088 4.736 . 0 0 "[ . 1 . 2]" 1
976 1 69 LEU QB 1 69 LEU QD . . 2.320 1.893 1.837 2.100 . 0 0 "[ . 1 . 2]" 1
977 1 69 LEU QB 1 70 ALA H . . 3.920 2.302 2.064 2.986 . 0 0 "[ . 1 . 2]" 1
978 1 69 LEU QB 1 72 TRP HD1 . . 5.340 5.479 5.405 5.519 0.179 10 0 "[ . 1 . 2]" 1
979 1 69 LEU HB2 1 69 LEU MD1 . . 3.380 2.291 2.141 3.253 . 0 0 "[ . 1 . 2]" 1
980 1 69 LEU HB2 1 69 LEU MD2 . . 3.380 2.965 2.173 3.230 . 0 0 "[ . 1 . 2]" 1
981 1 69 LEU HB2 1 70 ALA H . . 4.580 2.738 2.092 3.959 . 0 0 "[ . 1 . 2]" 1
982 1 69 LEU HB3 1 69 LEU MD1 . . 3.380 2.494 2.225 3.190 . 0 0 "[ . 1 . 2]" 1
983 1 69 LEU HB3 1 69 LEU MD2 . . 3.380 2.348 2.226 3.216 . 0 0 "[ . 1 . 2]" 1
984 1 69 LEU HB3 1 70 ALA H . . 4.580 3.003 2.121 3.588 . 0 0 "[ . 1 . 2]" 1
985 1 69 LEU QD 1 72 TRP HE3 . . 5.210 4.600 3.169 5.072 . 0 0 "[ . 1 . 2]" 1
986 1 70 ALA H 1 70 ALA MB . . 3.410 2.229 2.191 2.284 . 0 0 "[ . 1 . 2]" 1
987 1 70 ALA H 1 71 ALA H . . 4.140 2.862 2.534 3.034 . 0 0 "[ . 1 . 2]" 1
988 1 70 ALA HA 1 73 ASN H . . 5.180 3.720 3.443 3.938 . 0 0 "[ . 1 . 2]" 1
989 1 70 ALA HA 1 73 ASN QB . . 3.800 2.467 1.999 3.294 . 0 0 "[ . 1 . 2]" 1
990 1 70 ALA MB 1 71 ALA H . . 3.780 2.551 2.325 2.811 . 0 0 "[ . 1 . 2]" 1
991 1 70 ALA MB 1 72 TRP H . . 5.500 4.652 4.454 4.878 . 0 0 "[ . 1 . 2]" 1
992 1 70 ALA MB 1 73 ASN H . . 5.500 4.728 4.552 4.837 . 0 0 "[ . 1 . 2]" 1
993 1 71 ALA H 1 71 ALA MB . . 3.380 2.264 2.240 2.285 . 0 0 "[ . 1 . 2]" 1
994 1 71 ALA H 1 72 TRP H . . 3.820 2.708 2.580 2.864 . 0 0 "[ . 1 . 2]" 1
995 1 71 ALA H 1 72 TRP HA . . 5.500 5.328 5.199 5.473 . 0 0 "[ . 1 . 2]" 1
996 1 71 ALA H 1 72 TRP HD1 . . 5.500 3.612 3.417 3.789 . 0 0 "[ . 1 . 2]" 1
997 1 71 ALA HA 1 74 GLN H . . 4.540 3.439 3.169 3.662 . 0 0 "[ . 1 . 2]" 1
998 1 71 ALA HA 1 74 GLN QB . . 3.360 2.834 2.092 3.442 0.082 14 0 "[ . 1 . 2]" 1
999 1 71 ALA HA 1 74 GLN QG . . 3.880 3.788 1.883 4.024 0.144 12 0 "[ . 1 . 2]" 1
1000 1 71 ALA MB 1 72 TRP H . . 3.960 2.481 2.328 2.631 . 0 0 "[ . 1 . 2]" 1
1001 1 71 ALA MB 1 72 TRP HA . . 4.980 3.784 3.690 3.873 . 0 0 "[ . 1 . 2]" 1
1002 1 71 ALA MB 1 72 TRP HD1 . . 4.300 2.320 2.127 2.547 . 0 0 "[ . 1 . 2]" 1
1003 1 71 ALA MB 1 72 TRP HE1 . . 5.500 3.943 3.716 4.287 . 0 0 "[ . 1 . 2]" 1
1004 1 71 ALA MB 1 74 GLN QB . . 5.500 4.222 3.514 4.740 . 0 0 "[ . 1 . 2]" 1
1005 1 71 ALA MB 1 75 LEU QD . . 2.890 2.929 2.848 3.005 0.115 16 0 "[ . 1 . 2]" 1
1006 1 72 TRP H 1 72 TRP QB . . 3.570 2.803 2.471 2.926 . 0 0 "[ . 1 . 2]" 1
1007 1 72 TRP H 1 72 TRP HD1 . . 4.060 1.791 1.680 1.954 . 0 0 "[ . 1 . 2]" 1
1008 1 72 TRP H 1 73 ASN H . . 4.020 2.502 2.362 2.804 . 0 0 "[ . 1 . 2]" 1
1009 1 72 TRP H 1 75 LEU H . . 5.500 4.652 4.471 4.834 . 0 0 "[ . 1 . 2]" 1
1010 1 72 TRP HA 1 72 TRP HD1 . . 3.960 3.245 3.080 3.346 . 0 0 "[ . 1 . 2]" 1
1011 1 72 TRP HA 1 72 TRP HE1 . . 5.500 5.351 5.031 5.514 0.014 16 0 "[ . 1 . 2]" 1
1012 1 72 TRP HA 1 75 LEU H . . 4.500 3.560 3.157 3.803 . 0 0 "[ . 1 . 2]" 1
1013 1 72 TRP HA 1 75 LEU QD . . 3.860 2.323 1.984 2.768 . 0 0 "[ . 1 . 2]" 1
1014 1 72 TRP QB 1 73 ASN H . . 4.170 2.624 2.392 2.793 . 0 0 "[ . 1 . 2]" 1
1015 1 72 TRP HD1 1 75 LEU QD . . 4.630 4.033 3.367 4.342 . 0 0 "[ . 1 . 2]" 1
1016 1 72 TRP HE1 1 75 LEU QD . . 5.440 5.414 4.909 5.524 0.084 18 0 "[ . 1 . 2]" 1
1017 1 73 ASN H 1 73 ASN HB2 . . 3.700 2.528 2.378 2.724 . 0 0 "[ . 1 . 2]" 1
1018 1 73 ASN H 1 73 ASN HB3 . . 3.700 2.435 2.137 2.594 . 0 0 "[ . 1 . 2]" 1
1019 1 73 ASN H 1 74 GLN H . . 4.250 2.750 2.550 2.922 . 0 0 "[ . 1 . 2]" 1
1020 1 73 ASN H 1 75 LEU H . . 5.500 3.940 3.787 4.213 . 0 0 "[ . 1 . 2]" 1
1021 1 73 ASN HA 1 76 MET H . . 4.790 3.869 3.519 4.240 . 0 0 "[ . 1 . 2]" 1
1022 1 73 ASN HA 1 76 MET ME . . 4.500 4.239 3.471 4.547 0.047 10 0 "[ . 1 . 2]" 1
1023 1 73 ASN QB 1 74 GLN H . . 3.860 2.333 2.143 2.555 . 0 0 "[ . 1 . 2]" 1
1024 1 73 ASN QB 1 75 LEU H . . 5.340 4.505 4.375 4.713 . 0 0 "[ . 1 . 2]" 1
1025 1 74 GLN H 1 74 GLN QB . . 3.380 2.378 2.137 2.501 . 0 0 "[ . 1 . 2]" 1
1026 1 74 GLN H 1 74 GLN QG . . 4.060 2.651 2.161 3.943 . 0 0 "[ . 1 . 2]" 1
1027 1 74 GLN H 1 75 LEU H . . 3.900 2.621 2.477 2.818 . 0 0 "[ . 1 . 2]" 1
1028 1 74 GLN HA 1 74 GLN QG . . 3.500 2.624 2.353 3.309 . 0 0 "[ . 1 . 2]" 1
1029 1 74 GLN HA 1 77 LEU QB . . 2.970 2.902 2.617 3.118 0.148 14 0 "[ . 1 . 2]" 1
1030 1 74 GLN HA 1 77 LEU QD . . 3.930 2.809 1.929 3.936 0.006 6 0 "[ . 1 . 2]" 1
1031 1 74 GLN QB 1 74 GLN QG . . 2.400 2.055 1.955 2.089 . 0 0 "[ . 1 . 2]" 1
1032 1 74 GLN QB 1 75 LEU H . . 3.740 2.892 2.509 3.590 . 0 0 "[ . 1 . 2]" 1
1033 1 74 GLN QB 1 77 LEU QB . . 4.450 4.133 3.656 4.522 0.072 11 0 "[ . 1 . 2]" 1
1034 1 74 GLN QG 1 75 LEU H . . 5.500 3.986 2.460 4.397 . 0 0 "[ . 1 . 2]" 1
1035 1 74 GLN QG 1 77 LEU QD . . 5.440 4.111 3.290 5.497 0.057 5 0 "[ . 1 . 2]" 1
1036 1 75 LEU H 1 75 LEU QB . . 3.120 2.404 2.344 2.521 . 0 0 "[ . 1 . 2]" 1
1037 1 75 LEU H 1 75 LEU MD1 . . 4.680 3.645 3.456 3.770 . 0 0 "[ . 1 . 2]" 1
1038 1 75 LEU H 1 75 LEU MD2 . . 4.680 3.454 3.195 3.678 . 0 0 "[ . 1 . 2]" 1
1039 1 75 LEU H 1 75 LEU HG . . 3.680 2.439 2.296 2.680 . 0 0 "[ . 1 . 2]" 1
1040 1 75 LEU H 1 78 SER H . . 4.750 4.674 4.401 4.799 0.049 11 0 "[ . 1 . 2]" 1
1041 1 75 LEU HA 1 75 LEU QB . . 2.600 2.388 2.364 2.423 . 0 0 "[ . 1 . 2]" 1
1042 1 75 LEU HA 1 75 LEU MD1 . . 3.650 3.776 3.752 3.813 0.163 1 0 "[ . 1 . 2]" 1
1043 1 75 LEU HA 1 75 LEU QD . . 3.100 1.979 1.942 2.019 . 0 0 "[ . 1 . 2]" 1
1044 1 75 LEU HA 1 75 LEU MD2 . . 3.650 1.986 1.949 2.027 . 0 0 "[ . 1 . 2]" 1
1045 1 75 LEU HA 1 75 LEU HG . . 3.940 2.977 2.883 3.168 . 0 0 "[ . 1 . 2]" 1
1046 1 75 LEU QB 1 75 LEU QD . . 2.570 1.935 1.919 1.962 . 0 0 "[ . 1 . 2]" 1
1047 1 75 LEU QB 1 76 MET H . . 3.890 2.922 2.693 3.141 . 0 0 "[ . 1 . 2]" 1
1048 1 75 LEU HB2 1 76 MET H . . 4.690 3.032 2.775 3.288 . 0 0 "[ . 1 . 2]" 1
1049 1 75 LEU HB3 1 76 MET H . . 4.690 3.831 3.635 4.071 . 0 0 "[ . 1 . 2]" 1
1050 1 75 LEU HG 1 76 MET H . . 5.500 4.650 4.511 4.784 . 0 0 "[ . 1 . 2]" 1
1051 1 76 MET H 1 76 MET QB . . 3.510 2.483 2.346 2.823 . 0 0 "[ . 1 . 2]" 1
1052 1 76 MET H 1 76 MET ME . . 5.500 4.751 3.930 4.995 . 0 0 "[ . 1 . 2]" 1
1053 1 76 MET H 1 76 MET QG . . 3.820 2.492 2.090 2.780 . 0 0 "[ . 1 . 2]" 1
1054 1 76 MET H 1 77 LEU H . . 3.730 2.625 2.391 2.936 . 0 0 "[ . 1 . 2]" 1
1055 1 76 MET HA 1 79 ARG H . . 5.500 4.000 3.169 5.343 . 0 0 "[ . 1 . 2]" 1
1056 1 76 MET QB 1 77 LEU H . . 4.120 2.625 2.047 3.586 . 0 0 "[ . 1 . 2]" 1
1057 1 77 LEU H 1 77 LEU QB . . 3.200 2.373 2.164 2.564 . 0 0 "[ . 1 . 2]" 1
1058 1 77 LEU H 1 77 LEU MD1 . . 5.240 3.025 1.896 4.255 . 0 0 "[ . 1 . 2]" 1
1059 1 77 LEU H 1 77 LEU QD . . 4.260 2.221 1.731 3.656 . 0 0 "[ . 1 . 2]" 1
1060 1 77 LEU H 1 77 LEU MD2 . . 5.240 2.839 1.742 4.160 . 0 0 "[ . 1 . 2]" 1
1061 1 77 LEU H 1 78 SER HA . . 5.500 5.191 4.820 5.372 . 0 0 "[ . 1 . 2]" 1
1062 1 77 LEU HA 1 77 LEU MD1 . . 3.610 2.327 1.934 3.124 . 0 0 "[ . 1 . 2]" 1
1063 1 77 LEU HA 1 77 LEU QD . . 2.820 2.226 1.907 2.875 0.055 19 0 "[ . 1 . 2]" 1
1064 1 77 LEU HA 1 77 LEU MD2 . . 3.610 3.272 2.030 3.768 0.158 11 0 "[ . 1 . 2]" 1
1065 1 77 LEU HA 1 77 LEU HG . . 3.940 3.289 2.309 3.791 . 0 0 "[ . 1 . 2]" 1
1066 1 77 LEU HA 1 80 SER H . . 3.680 3.674 3.060 3.883 0.203 19 0 "[ . 1 . 2]" 1
1067 1 77 LEU QB 1 77 LEU QD . . 2.560 1.980 1.834 2.075 . 0 0 "[ . 1 . 2]" 1
1068 1 77 LEU QB 1 77 LEU HG . . 2.360 2.228 2.100 2.379 0.019 17 0 "[ . 1 . 2]" 1
1069 1 77 LEU QB 1 78 SER H . . 3.950 2.959 2.583 3.245 . 0 0 "[ . 1 . 2]" 1
1070 1 77 LEU HB2 1 77 LEU MD1 . . 3.480 2.856 2.159 3.218 . 0 0 "[ . 1 . 2]" 1
1071 1 77 LEU HB2 1 77 LEU MD2 . . 3.480 2.304 2.122 2.545 . 0 0 "[ . 1 . 2]" 1
1072 1 77 LEU HB2 1 77 LEU HG . . 2.710 2.674 2.387 2.948 0.238 15 0 "[ . 1 . 2]" 1
1073 1 77 LEU HB2 1 78 SER H . . 4.790 3.191 2.645 4.168 . 0 0 "[ . 1 . 2]" 1
1074 1 77 LEU HB3 1 77 LEU MD1 . . 3.480 2.742 2.285 3.227 . 0 0 "[ . 1 . 2]" 1
1075 1 77 LEU HB3 1 77 LEU MD2 . . 3.480 2.824 2.134 3.218 . 0 0 "[ . 1 . 2]" 1
1076 1 77 LEU HB3 1 77 LEU HG . . 2.710 2.399 2.222 2.568 . 0 0 "[ . 1 . 2]" 1
1077 1 77 LEU HB3 1 78 SER H . . 4.790 3.726 2.766 4.153 . 0 0 "[ . 1 . 2]" 1
1078 1 77 LEU MD1 1 78 SER H . . 5.500 4.422 3.575 4.856 . 0 0 "[ . 1 . 2]" 1
1079 1 77 LEU MD2 1 78 SER H . . 5.500 4.382 3.732 5.070 . 0 0 "[ . 1 . 2]" 1
1080 1 78 SER H 1 78 SER QB . . 3.400 2.506 2.236 2.963 . 0 0 "[ . 1 . 2]" 1
1081 1 78 SER QB 1 79 ARG H . . 4.230 3.334 2.599 3.955 . 0 0 "[ . 1 . 2]" 1
1082 1 79 ARG H 1 79 ARG QB . . 3.550 2.599 2.140 3.360 . 0 0 "[ . 1 . 2]" 1
1083 1 79 ARG H 1 79 ARG QD . . 5.400 3.875 2.263 5.105 . 0 0 "[ . 1 . 2]" 1
1084 1 79 ARG H 1 79 ARG HG2 . . 4.450 3.275 2.420 4.326 . 0 0 "[ . 1 . 2]" 1
1085 1 79 ARG H 1 79 ARG QG . . 3.760 2.904 2.203 3.938 0.178 16 0 "[ . 1 . 2]" 1
1086 1 79 ARG H 1 79 ARG HG3 . . 4.450 3.832 2.219 4.532 0.082 16 0 "[ . 1 . 2]" 1
1087 1 79 ARG H 1 80 SER H . . 3.940 2.261 1.810 3.490 . 0 0 "[ . 1 . 2]" 1
1088 1 79 ARG HA 1 79 ARG QD . . 3.860 2.916 1.956 3.921 0.061 15 0 "[ . 1 . 2]" 1
1089 1 79 ARG HA 1 80 SER H . . 3.400 3.224 2.086 3.507 0.107 2 0 "[ . 1 . 2]" 1
1090 1 79 ARG HB2 1 79 ARG QD . . 3.650 3.134 2.345 3.515 . 0 0 "[ . 1 . 2]" 1
1091 1 79 ARG HB2 1 80 SER H . . 5.500 3.438 2.106 4.527 . 0 0 "[ . 1 . 2]" 1
1092 1 79 ARG HB3 1 79 ARG QD . . 3.650 2.491 2.120 3.295 . 0 0 "[ . 1 . 2]" 1
1093 1 79 ARG HB3 1 80 SER H . . 5.500 3.941 2.680 4.492 . 0 0 "[ . 1 . 2]" 1
1094 1 79 ARG QD 1 80 SER H . . 5.500 4.718 2.663 5.784 0.284 19 0 "[ . 1 . 2]" 1
1095 1 81 PRO HA 1 82 GLU H . . 3.540 2.219 2.062 2.464 . 0 0 "[ . 1 . 2]" 1
1096 1 81 PRO QG 1 82 GLU H . . 5.030 4.731 4.090 4.993 . 0 0 "[ . 1 . 2]" 1
1097 1 82 GLU H 1 82 GLU QG . . 4.080 3.204 1.903 4.138 0.058 11 0 "[ . 1 . 2]" 1
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