NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454225 |
2yua   |
11144 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yua
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 1246
_Distance_constraint_stats_list.Viol_count 108
_Distance_constraint_stats_list.Viol_total 12.839
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0059
_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 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.078 0.019 17 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.079 0.019 17 0 "[ . 1 . 2]"
1 17 THR 0.157 0.081 16 0 "[ . 1 . 2]"
1 18 ALA 0.017 0.007 12 0 "[ . 1 . 2]"
1 19 LEU 0.003 0.001 2 0 "[ . 1 . 2]"
1 20 TYR 0.004 0.002 12 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 11 0 "[ . 1 . 2]"
1 23 LEU 0.001 0.001 9 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 14 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 15 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.014 0.008 17 0 "[ . 1 . 2]"
1 29 ALA 0.009 0.008 17 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 17 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLN 0.000 0.000 12 0 "[ . 1 . 2]"
1 34 ILE 0.001 0.000 14 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 3 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 17 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 7 0 "[ . 1 . 2]"
1 38 TYR 0.001 0.001 15 0 "[ . 1 . 2]"
1 39 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ARG 0.005 0.004 14 0 "[ . 1 . 2]"
1 41 GLN 0.005 0.004 14 0 "[ . 1 . 2]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.002 0.001 19 0 "[ . 1 . 2]"
1 45 TYR 0.002 0.001 19 0 "[ . 1 . 2]"
1 46 HIS 0.004 0.002 3 0 "[ . 1 . 2]"
1 47 PRO 0.004 0.002 3 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASN 0.001 0.001 9 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.025 0.006 18 0 "[ . 1 . 2]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.038 0.023 20 0 "[ . 1 . 2]"
1 56 ALA 0.017 0.006 18 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.002 0.002 9 0 "[ . 1 . 2]"
1 59 ARG 0.032 0.029 5 0 "[ . 1 . 2]"
1 60 PHE 0.003 0.003 15 0 "[ . 1 . 2]"
1 61 THR 0.013 0.011 9 0 "[ . 1 . 2]"
1 62 ARG 0.017 0.011 9 0 "[ . 1 . 2]"
1 63 ILE 0.004 0.003 15 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.002 0.002 15 0 "[ . 1 . 2]"
1 66 ALA 0.001 0.001 2 0 "[ . 1 . 2]"
1 67 TYR 0.001 0.001 15 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 7 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 7 0 "[ . 1 . 2]"
1 70 LEU 0.001 0.001 10 0 "[ . 1 . 2]"
1 71 GLY 0.001 0.000 7 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 7 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 7 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 0.227 0.067 19 0 "[ . 1 . 2]"
1 78 LYS 0.134 0.067 19 0 "[ . 1 . 2]"
1 79 TYR 0.001 0.000 7 0 "[ . 1 . 2]"
1 80 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ARG 0.007 0.003 2 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.005 0.003 15 0 "[ . 1 . 2]"
1 84 LEU 0.003 0.002 6 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.001 0.001 19 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 15 0 "[ . 1 . 2]"
1 88 ASP 0.011 0.007 19 0 "[ . 1 . 2]"
1 89 LEU 0.009 0.007 19 0 "[ . 1 . 2]"
1 90 ARG 0.005 0.004 18 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 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 10 GLY QA 1 11 ASP H . . 3.410 2.255 2.113 2.668 . 0 0 "[ . 1 . 2]" 1
2 1 11 ASP H 1 11 ASP QB . . 3.630 2.644 2.205 3.307 . 0 0 "[ . 1 . 2]" 1
3 1 13 SER H 1 14 TYR H . . 4.840 3.510 2.089 4.588 . 0 0 "[ . 1 . 2]" 1
4 1 13 SER QB 1 14 TYR H . . 4.330 2.631 1.996 3.838 . 0 0 "[ . 1 . 2]" 1
5 1 13 SER QB 1 14 TYR QD . . 4.570 3.331 2.069 4.153 . 0 0 "[ . 1 . 2]" 1
6 1 13 SER QB 1 14 TYR QE . . 4.540 4.017 3.332 4.536 . 0 0 "[ . 1 . 2]" 1
7 1 14 TYR H 1 14 TYR HB2 . . 3.760 3.403 2.151 3.757 . 0 0 "[ . 1 . 2]" 1
8 1 14 TYR H 1 14 TYR HB3 . . 3.760 3.013 2.324 3.626 . 0 0 "[ . 1 . 2]" 1
9 1 14 TYR H 1 14 TYR QD . . 3.550 2.637 2.014 3.142 . 0 0 "[ . 1 . 2]" 1
10 1 14 TYR H 1 14 TYR QE . . 4.930 4.165 3.709 4.924 . 0 0 "[ . 1 . 2]" 1
11 1 14 TYR H 1 15 SER H . . 5.310 4.309 1.806 4.646 . 0 0 "[ . 1 . 2]" 1
12 1 14 TYR QD 1 16 ARG HA . . 4.550 4.211 3.385 4.569 0.019 17 0 "[ . 1 . 2]" 1
13 1 14 TYR QD 1 16 ARG QB . . 4.160 2.502 1.966 3.905 . 0 0 "[ . 1 . 2]" 1
14 1 14 TYR QD 1 16 ARG QG . . 5.000 3.894 2.000 4.983 . 0 0 "[ . 1 . 2]" 1
15 1 14 TYR QE 1 16 ARG QB . . 4.250 3.124 2.001 4.261 0.011 11 0 "[ . 1 . 2]" 1
16 1 14 TYR QE 1 16 ARG QD . . 4.640 3.771 2.065 4.642 0.002 17 0 "[ . 1 . 2]" 1
17 1 15 SER QB 1 18 ALA H . . 4.440 3.798 2.896 4.412 . 0 0 "[ . 1 . 2]" 1
18 1 15 SER QB 1 18 ALA MB . . 3.470 2.387 1.922 3.393 . 0 0 "[ . 1 . 2]" 1
19 1 16 ARG HA 1 16 ARG QG . . 3.640 2.701 2.185 3.442 . 0 0 "[ . 1 . 2]" 1
20 1 16 ARG HA 1 79 TYR QE . . 4.080 3.184 2.073 3.992 . 0 0 "[ . 1 . 2]" 1
21 1 16 ARG QB 1 16 ARG QD . . 3.280 2.178 2.059 2.374 . 0 0 "[ . 1 . 2]" 1
22 1 16 ARG QB 1 79 TYR QE . . 4.880 3.524 1.992 4.879 . 0 0 "[ . 1 . 2]" 1
23 1 16 ARG HB2 1 16 ARG QD . . 3.900 2.564 2.195 3.397 . 0 0 "[ . 1 . 2]" 1
24 1 16 ARG HB3 1 16 ARG QD . . 3.900 2.639 2.102 3.384 . 0 0 "[ . 1 . 2]" 1
25 1 16 ARG QD 1 79 TYR QE . . 5.010 3.939 2.061 5.010 0.000 18 0 "[ . 1 . 2]" 1
26 1 17 THR H 1 17 THR MG . . 3.700 3.012 2.019 3.781 0.081 16 0 "[ . 1 . 2]" 1
27 1 17 THR H 1 18 ALA H . . 3.230 2.691 1.818 3.203 . 0 0 "[ . 1 . 2]" 1
28 1 17 THR H 1 18 ALA HA . . 5.000 4.674 4.268 5.002 0.002 10 0 "[ . 1 . 2]" 1
29 1 17 THR H 1 18 ALA MB . . 4.120 3.984 3.441 4.127 0.007 12 0 "[ . 1 . 2]" 1
30 1 17 THR HA 1 17 THR MG . . 3.230 2.408 2.031 3.205 . 0 0 "[ . 1 . 2]" 1
31 1 17 THR HA 1 20 TYR H . . 4.760 3.634 3.386 3.856 . 0 0 "[ . 1 . 2]" 1
32 1 17 THR HA 1 20 TYR QD . . 4.170 2.219 1.999 2.532 . 0 0 "[ . 1 . 2]" 1
33 1 17 THR HB 1 20 TYR QD . . 4.700 4.127 2.554 4.699 . 0 0 "[ . 1 . 2]" 1
34 1 17 THR MG 1 20 TYR QB . . 4.400 3.440 2.443 4.337 . 0 0 "[ . 1 . 2]" 1
35 1 17 THR MG 1 20 TYR QD . . 4.110 3.667 3.137 4.086 . 0 0 "[ . 1 . 2]" 1
36 1 17 THR MG 1 27 SER QB . . 4.170 3.792 3.035 4.166 . 0 0 "[ . 1 . 2]" 1
37 1 18 ALA H 1 18 ALA MB . . 3.230 2.201 2.046 2.365 . 0 0 "[ . 1 . 2]" 1
38 1 18 ALA H 1 19 LEU H . . 4.210 2.694 2.350 3.102 . 0 0 "[ . 1 . 2]" 1
39 1 18 ALA H 1 20 TYR H . . 5.090 3.791 3.506 4.240 . 0 0 "[ . 1 . 2]" 1
40 1 18 ALA HA 1 21 ASP H . . 4.410 3.114 2.918 3.386 . 0 0 "[ . 1 . 2]" 1
41 1 18 ALA HA 1 21 ASP QB . . 3.600 2.492 2.210 2.780 . 0 0 "[ . 1 . 2]" 1
42 1 18 ALA MB 1 19 LEU H . . 3.660 2.248 2.007 2.569 . 0 0 "[ . 1 . 2]" 1
43 1 18 ALA MB 1 19 LEU HA . . 4.340 3.668 3.544 3.781 . 0 0 "[ . 1 . 2]" 1
44 1 18 ALA MB 1 19 LEU MD1 . . 4.730 4.550 4.344 4.731 0.001 12 0 "[ . 1 . 2]" 1
45 1 18 ALA MB 1 19 LEU MD2 . . 3.740 2.547 2.274 2.774 . 0 0 "[ . 1 . 2]" 1
46 1 18 ALA MB 1 20 TYR H . . 4.700 4.078 3.931 4.361 . 0 0 "[ . 1 . 2]" 1
47 1 18 ALA MB 1 20 TYR QD . . 4.730 4.650 4.390 4.732 0.002 12 0 "[ . 1 . 2]" 1
48 1 18 ALA MB 1 21 ASP QB . . 4.220 3.753 3.471 4.014 . 0 0 "[ . 1 . 2]" 1
49 1 19 LEU H 1 19 LEU HB2 . . 3.980 2.864 2.742 3.041 . 0 0 "[ . 1 . 2]" 1
50 1 19 LEU H 1 19 LEU HB3 . . 3.860 3.541 3.509 3.565 . 0 0 "[ . 1 . 2]" 1
51 1 19 LEU H 1 19 LEU MD1 . . 4.000 3.625 3.585 3.678 . 0 0 "[ . 1 . 2]" 1
52 1 19 LEU H 1 19 LEU MD2 . . 3.880 2.196 1.874 2.575 . 0 0 "[ . 1 . 2]" 1
53 1 19 LEU H 1 19 LEU HG . . 3.530 1.980 1.901 2.063 . 0 0 "[ . 1 . 2]" 1
54 1 19 LEU H 1 20 TYR H . . 3.730 2.811 2.708 3.036 . 0 0 "[ . 1 . 2]" 1
55 1 19 LEU H 1 20 TYR QD . . 4.590 3.414 3.181 3.809 . 0 0 "[ . 1 . 2]" 1
56 1 19 LEU H 1 20 TYR QE . . 4.820 4.453 4.208 4.671 . 0 0 "[ . 1 . 2]" 1
57 1 19 LEU HA 1 19 LEU MD1 . . 4.110 3.827 3.759 3.873 . 0 0 "[ . 1 . 2]" 1
58 1 19 LEU HA 1 19 LEU MD2 . . 3.180 2.173 1.971 2.315 . 0 0 "[ . 1 . 2]" 1
59 1 19 LEU HA 1 22 LEU H . . 3.950 3.787 3.543 3.949 . 0 0 "[ . 1 . 2]" 1
60 1 19 LEU HA 1 22 LEU HB2 . . 4.170 3.035 2.890 3.116 . 0 0 "[ . 1 . 2]" 1
61 1 19 LEU HA 1 22 LEU HB3 . . 4.670 4.580 4.376 4.670 0.000 11 0 "[ . 1 . 2]" 1
62 1 19 LEU HA 1 22 LEU MD1 . . 3.540 2.162 1.984 2.435 . 0 0 "[ . 1 . 2]" 1
63 1 19 LEU HA 1 23 LEU H . . 5.330 4.814 4.568 5.146 . 0 0 "[ . 1 . 2]" 1
64 1 19 LEU HA 1 66 ALA MB . . 3.720 2.352 2.019 2.629 . 0 0 "[ . 1 . 2]" 1
65 1 19 LEU HB2 1 19 LEU MD1 . . 3.380 2.452 2.328 2.545 . 0 0 "[ . 1 . 2]" 1
66 1 19 LEU HB2 1 20 TYR H . . 4.450 3.035 2.500 3.244 . 0 0 "[ . 1 . 2]" 1
67 1 19 LEU HB2 1 20 TYR HA . . 4.440 4.191 3.941 4.327 . 0 0 "[ . 1 . 2]" 1
68 1 19 LEU HB2 1 20 TYR QE . . 4.170 3.506 3.171 3.887 . 0 0 "[ . 1 . 2]" 1
69 1 19 LEU HB2 1 66 ALA HA . . 4.310 3.825 3.613 4.026 . 0 0 "[ . 1 . 2]" 1
70 1 19 LEU HB2 1 70 LEU MD1 . . 4.340 2.182 1.963 2.673 . 0 0 "[ . 1 . 2]" 1
71 1 19 LEU HB2 1 70 LEU MD2 . . 3.820 2.863 2.256 3.372 . 0 0 "[ . 1 . 2]" 1
72 1 19 LEU HB3 1 19 LEU MD1 . . 3.580 2.224 2.117 2.342 . 0 0 "[ . 1 . 2]" 1
73 1 19 LEU HB3 1 20 TYR H . . 4.380 4.153 3.849 4.284 . 0 0 "[ . 1 . 2]" 1
74 1 19 LEU HB3 1 20 TYR QE . . 5.410 5.116 4.803 5.406 . 0 0 "[ . 1 . 2]" 1
75 1 19 LEU HB3 1 66 ALA MB . . 5.070 2.689 2.396 2.886 . 0 0 "[ . 1 . 2]" 1
76 1 19 LEU HB3 1 70 LEU MD1 . . 4.640 2.155 1.987 2.410 . 0 0 "[ . 1 . 2]" 1
77 1 19 LEU HB3 1 70 LEU MD2 . . 4.750 3.759 3.405 4.245 . 0 0 "[ . 1 . 2]" 1
78 1 19 LEU MD1 1 20 TYR QD . . 5.050 4.655 4.497 4.774 . 0 0 "[ . 1 . 2]" 1
79 1 19 LEU MD1 1 20 TYR QE . . 4.020 3.905 3.701 4.020 0.000 7 0 "[ . 1 . 2]" 1
80 1 19 LEU MD1 1 22 LEU MD1 . . 5.170 4.975 4.805 5.140 . 0 0 "[ . 1 . 2]" 1
81 1 19 LEU MD1 1 66 ALA H . . 5.350 4.866 4.595 5.303 . 0 0 "[ . 1 . 2]" 1
82 1 19 LEU MD1 1 66 ALA HA . . 3.640 2.885 2.597 3.292 . 0 0 "[ . 1 . 2]" 1
83 1 19 LEU MD1 1 66 ALA MB . . 4.110 3.947 3.785 4.104 . 0 0 "[ . 1 . 2]" 1
84 1 19 LEU MD1 1 69 VAL H . . 4.590 3.547 3.213 3.917 . 0 0 "[ . 1 . 2]" 1
85 1 19 LEU MD1 1 69 VAL HB . . 4.070 2.038 1.897 2.201 . 0 0 "[ . 1 . 2]" 1
86 1 19 LEU MD1 1 69 VAL MG1 . . 3.350 2.518 2.067 2.899 . 0 0 "[ . 1 . 2]" 1
87 1 19 LEU MD1 1 69 VAL MG2 . . 3.290 2.331 2.039 2.583 . 0 0 "[ . 1 . 2]" 1
88 1 19 LEU MD1 1 70 LEU H . . 4.560 3.755 3.455 4.106 . 0 0 "[ . 1 . 2]" 1
89 1 19 LEU MD1 1 70 LEU MD2 . . 3.770 2.885 2.199 3.536 . 0 0 "[ . 1 . 2]" 1
90 1 19 LEU MD1 1 79 TYR QD . . 5.480 4.559 3.516 5.044 . 0 0 "[ . 1 . 2]" 1
91 1 19 LEU MD1 1 84 LEU MD2 . . 4.480 4.160 3.587 4.477 . 0 0 "[ . 1 . 2]" 1
92 1 19 LEU MD1 1 89 LEU MD2 . . 4.230 3.743 3.323 4.189 . 0 0 "[ . 1 . 2]" 1
93 1 19 LEU MD2 1 20 TYR H . . 4.920 4.280 4.165 4.436 . 0 0 "[ . 1 . 2]" 1
94 1 19 LEU MD2 1 20 TYR QD . . 4.970 4.907 4.636 4.970 0.000 6 0 "[ . 1 . 2]" 1
95 1 19 LEU MD2 1 20 TYR QE . . 5.460 5.249 5.019 5.408 . 0 0 "[ . 1 . 2]" 1
96 1 19 LEU MD2 1 22 LEU HB2 . . 4.750 4.506 4.296 4.726 . 0 0 "[ . 1 . 2]" 1
97 1 19 LEU MD2 1 22 LEU MD1 . . 3.160 2.902 2.716 3.071 . 0 0 "[ . 1 . 2]" 1
98 1 19 LEU MD2 1 22 LEU MD2 . . 4.000 3.735 3.503 3.956 . 0 0 "[ . 1 . 2]" 1
99 1 19 LEU MD2 1 66 ALA H . . 4.590 3.896 3.387 4.317 . 0 0 "[ . 1 . 2]" 1
100 1 19 LEU MD2 1 66 ALA HA . . 3.470 2.927 2.329 3.174 . 0 0 "[ . 1 . 2]" 1
101 1 19 LEU MD2 1 66 ALA MB . . 3.320 3.171 2.749 3.321 0.001 2 0 "[ . 1 . 2]" 1
102 1 19 LEU MD2 1 70 LEU MD1 . . 4.350 4.058 3.959 4.256 . 0 0 "[ . 1 . 2]" 1
103 1 19 LEU MD2 1 89 LEU MD2 . . 4.650 4.373 3.731 4.637 . 0 0 "[ . 1 . 2]" 1
104 1 19 LEU HG 1 20 TYR H . . 4.880 4.063 3.636 4.254 . 0 0 "[ . 1 . 2]" 1
105 1 19 LEU HG 1 20 TYR QE . . 4.280 3.969 3.642 4.177 . 0 0 "[ . 1 . 2]" 1
106 1 20 TYR H 1 20 TYR HB2 . . 3.920 2.560 2.495 2.690 . 0 0 "[ . 1 . 2]" 1
107 1 20 TYR H 1 20 TYR QB . . 3.410 2.511 2.454 2.617 . 0 0 "[ . 1 . 2]" 1
108 1 20 TYR H 1 20 TYR HB3 . . 3.920 3.643 3.583 3.678 . 0 0 "[ . 1 . 2]" 1
109 1 20 TYR H 1 20 TYR QD . . 3.750 1.930 1.899 2.002 . 0 0 "[ . 1 . 2]" 1
110 1 20 TYR H 1 21 ASP H . . 3.660 2.340 2.147 2.713 . 0 0 "[ . 1 . 2]" 1
111 1 20 TYR H 1 21 ASP QB . . 4.550 4.078 3.928 4.342 . 0 0 "[ . 1 . 2]" 1
112 1 20 TYR H 1 22 LEU H . . 4.520 3.891 3.695 4.390 . 0 0 "[ . 1 . 2]" 1
113 1 20 TYR H 1 66 ALA MB . . 5.490 4.758 4.434 4.947 . 0 0 "[ . 1 . 2]" 1
114 1 20 TYR H 1 70 LEU MD1 . . 4.390 3.686 3.047 4.084 . 0 0 "[ . 1 . 2]" 1
115 1 20 TYR HA 1 20 TYR QD . . 3.930 3.166 3.122 3.208 . 0 0 "[ . 1 . 2]" 1
116 1 20 TYR HA 1 23 LEU H . . 4.280 3.728 3.449 4.033 . 0 0 "[ . 1 . 2]" 1
117 1 20 TYR HA 1 23 LEU HB2 . . 4.370 3.460 3.219 3.681 . 0 0 "[ . 1 . 2]" 1
118 1 20 TYR HA 1 23 LEU MD1 . . 4.740 4.308 3.883 4.669 . 0 0 "[ . 1 . 2]" 1
119 1 20 TYR HA 1 23 LEU MD2 . . 4.420 4.227 3.916 4.418 . 0 0 "[ . 1 . 2]" 1
120 1 20 TYR HA 1 25 VAL MG2 . . 3.620 2.674 2.382 2.950 . 0 0 "[ . 1 . 2]" 1
121 1 20 TYR HA 1 70 LEU MD1 . . 3.730 2.874 2.370 3.131 . 0 0 "[ . 1 . 2]" 1
122 1 20 TYR HA 1 70 LEU MD2 . . 4.750 4.474 4.018 4.728 . 0 0 "[ . 1 . 2]" 1
123 1 20 TYR QB 1 21 ASP H . . 3.670 2.672 2.149 3.025 . 0 0 "[ . 1 . 2]" 1
124 1 20 TYR QB 1 25 VAL MG2 . . 3.880 2.837 2.476 3.037 . 0 0 "[ . 1 . 2]" 1
125 1 20 TYR HB2 1 21 ASP H . . 4.250 2.729 2.177 3.116 . 0 0 "[ . 1 . 2]" 1
126 1 20 TYR HB2 1 25 VAL MG2 . . 4.420 4.295 3.990 4.417 . 0 0 "[ . 1 . 2]" 1
127 1 20 TYR HB3 1 21 ASP H . . 4.250 3.832 3.323 4.095 . 0 0 "[ . 1 . 2]" 1
128 1 20 TYR HB3 1 25 VAL MG2 . . 4.420 2.879 2.500 3.095 . 0 0 "[ . 1 . 2]" 1
129 1 20 TYR QD 1 21 ASP H . . 4.550 3.751 3.420 3.974 . 0 0 "[ . 1 . 2]" 1
130 1 20 TYR QD 1 25 VAL MG2 . . 3.320 2.663 2.133 3.259 . 0 0 "[ . 1 . 2]" 1
131 1 20 TYR QD 1 70 LEU MD1 . . 4.010 3.243 2.873 3.531 . 0 0 "[ . 1 . 2]" 1
132 1 20 TYR QD 1 70 LEU MD2 . . 3.600 3.432 3.079 3.601 0.001 10 0 "[ . 1 . 2]" 1
133 1 20 TYR QE 1 25 VAL MG2 . . 5.500 4.261 3.639 4.708 . 0 0 "[ . 1 . 2]" 1
134 1 20 TYR QE 1 70 LEU MD2 . . 3.970 2.475 2.248 2.722 . 0 0 "[ . 1 . 2]" 1
135 1 21 ASP H 1 21 ASP QB . . 3.580 2.218 2.138 2.306 . 0 0 "[ . 1 . 2]" 1
136 1 21 ASP H 1 22 LEU H . . 3.550 2.572 2.304 2.933 . 0 0 "[ . 1 . 2]" 1
137 1 21 ASP H 1 23 LEU H . . 5.130 4.272 3.930 4.524 . 0 0 "[ . 1 . 2]" 1
138 1 21 ASP HA 1 23 LEU H . . 4.590 4.291 3.918 4.540 . 0 0 "[ . 1 . 2]" 1
139 1 21 ASP HA 1 24 GLY H . . 3.850 3.449 3.033 3.843 . 0 0 "[ . 1 . 2]" 1
140 1 21 ASP HA 1 24 GLY QA . . 4.620 3.273 2.991 3.554 . 0 0 "[ . 1 . 2]" 1
141 1 21 ASP HA 1 25 VAL H . . 4.780 4.349 3.670 4.739 . 0 0 "[ . 1 . 2]" 1
142 1 21 ASP QB 1 22 LEU H . . 3.570 2.736 2.493 2.996 . 0 0 "[ . 1 . 2]" 1
143 1 22 LEU H 1 22 LEU HB2 . . 3.230 2.270 2.177 2.441 . 0 0 "[ . 1 . 2]" 1
144 1 22 LEU H 1 22 LEU HB3 . . 3.670 3.535 3.490 3.592 . 0 0 "[ . 1 . 2]" 1
145 1 22 LEU H 1 22 LEU MD1 . . 3.730 2.232 1.998 2.447 . 0 0 "[ . 1 . 2]" 1
146 1 22 LEU H 1 22 LEU MD2 . . 4.400 4.129 4.013 4.205 . 0 0 "[ . 1 . 2]" 1
147 1 22 LEU H 1 22 LEU HG . . 3.660 3.482 3.145 3.656 . 0 0 "[ . 1 . 2]" 1
148 1 22 LEU H 1 23 LEU H . . 3.470 2.784 2.524 3.062 . 0 0 "[ . 1 . 2]" 1
149 1 22 LEU H 1 23 LEU MD1 . . 4.540 4.157 3.908 4.488 . 0 0 "[ . 1 . 2]" 1
150 1 22 LEU HA 1 22 LEU MD1 . . 3.510 3.109 3.013 3.274 . 0 0 "[ . 1 . 2]" 1
151 1 22 LEU HA 1 22 LEU MD2 . . 3.920 3.554 3.526 3.619 . 0 0 "[ . 1 . 2]" 1
152 1 22 LEU HB2 1 22 LEU MD1 . . 3.180 2.088 1.997 2.143 . 0 0 "[ . 1 . 2]" 1
153 1 22 LEU HB2 1 22 LEU MD2 . . 3.420 2.663 2.571 2.708 . 0 0 "[ . 1 . 2]" 1
154 1 22 LEU HB2 1 23 LEU H . . 4.140 2.706 2.417 2.993 . 0 0 "[ . 1 . 2]" 1
155 1 22 LEU HB2 1 23 LEU MD1 . . 4.380 2.811 2.676 2.965 . 0 0 "[ . 1 . 2]" 1
156 1 22 LEU HB3 1 22 LEU MD2 . . 3.140 2.085 1.976 2.212 . 0 0 "[ . 1 . 2]" 1
157 1 22 LEU HB3 1 23 LEU H . . 3.820 3.323 3.101 3.576 . 0 0 "[ . 1 . 2]" 1
158 1 22 LEU HB3 1 63 ILE HA . . 4.530 3.015 2.709 3.346 . 0 0 "[ . 1 . 2]" 1
159 1 22 LEU HB3 1 63 ILE MG . . 3.960 3.753 3.488 3.959 . 0 0 "[ . 1 . 2]" 1
160 1 22 LEU MD1 1 23 LEU H . . 4.270 4.097 3.768 4.252 . 0 0 "[ . 1 . 2]" 1
161 1 22 LEU MD1 1 62 ARG QB . . 3.860 3.655 3.257 3.860 . 0 0 "[ . 1 . 2]" 1
162 1 22 LEU MD1 1 62 ARG QD . . 4.150 3.699 3.318 4.120 . 0 0 "[ . 1 . 2]" 1
163 1 22 LEU MD1 1 63 ILE HA . . 4.690 4.567 4.380 4.687 . 0 0 "[ . 1 . 2]" 1
164 1 22 LEU MD1 1 66 ALA MB . . 3.200 3.123 2.928 3.198 . 0 0 "[ . 1 . 2]" 1
165 1 22 LEU MD2 1 62 ARG H . . 4.780 4.548 4.191 4.708 . 0 0 "[ . 1 . 2]" 1
166 1 22 LEU MD2 1 62 ARG HA . . 4.260 3.823 3.571 4.038 . 0 0 "[ . 1 . 2]" 1
167 1 22 LEU MD2 1 62 ARG HB2 . . 3.790 2.944 2.401 3.219 . 0 0 "[ . 1 . 2]" 1
168 1 22 LEU MD2 1 62 ARG HB3 . . 3.790 1.983 1.813 2.170 . 0 0 "[ . 1 . 2]" 1
169 1 22 LEU MD2 1 62 ARG QD . . 3.560 2.877 2.243 3.251 . 0 0 "[ . 1 . 2]" 1
170 1 22 LEU MD2 1 62 ARG QG . . 4.230 3.693 3.457 3.859 . 0 0 "[ . 1 . 2]" 1
171 1 22 LEU MD2 1 63 ILE H . . 4.200 3.060 2.853 3.252 . 0 0 "[ . 1 . 2]" 1
172 1 22 LEU MD2 1 63 ILE HA . . 3.620 2.126 1.924 2.394 . 0 0 "[ . 1 . 2]" 1
173 1 22 LEU MD2 1 65 GLN HB2 . . 4.590 4.006 3.637 4.221 . 0 0 "[ . 1 . 2]" 1
174 1 22 LEU MD2 1 65 GLN QG . . 4.850 4.657 4.213 4.810 . 0 0 "[ . 1 . 2]" 1
175 1 22 LEU MD2 1 66 ALA H . . 4.420 3.584 3.276 3.751 . 0 0 "[ . 1 . 2]" 1
176 1 22 LEU MD2 1 66 ALA HA . . 5.240 4.743 4.491 4.988 . 0 0 "[ . 1 . 2]" 1
177 1 22 LEU HG 1 23 LEU H . . 5.500 4.958 4.830 5.070 . 0 0 "[ . 1 . 2]" 1
178 1 23 LEU H 1 23 LEU HB2 . . 3.180 2.197 2.162 2.270 . 0 0 "[ . 1 . 2]" 1
179 1 23 LEU H 1 23 LEU HB3 . . 3.550 3.489 3.473 3.525 . 0 0 "[ . 1 . 2]" 1
180 1 23 LEU H 1 23 LEU MD1 . . 3.600 2.365 2.092 2.647 . 0 0 "[ . 1 . 2]" 1
181 1 23 LEU H 1 23 LEU MD2 . . 4.310 3.955 3.759 4.204 . 0 0 "[ . 1 . 2]" 1
182 1 23 LEU H 1 23 LEU HG . . 4.270 4.188 4.107 4.270 . 5 0 "[ . 1 . 2]" 1
183 1 23 LEU H 1 24 GLY H . . 3.270 2.431 2.164 2.750 . 0 0 "[ . 1 . 2]" 1
184 1 23 LEU H 1 24 GLY QA . . 5.340 4.261 4.088 4.412 . 0 0 "[ . 1 . 2]" 1
185 1 23 LEU H 1 25 VAL H . . 4.370 4.034 3.552 4.264 . 0 0 "[ . 1 . 2]" 1
186 1 23 LEU HA 1 23 LEU MD1 . . 3.210 2.484 2.271 2.654 . 0 0 "[ . 1 . 2]" 1
187 1 23 LEU HA 1 23 LEU MD2 . . 4.270 3.795 3.753 3.818 . 0 0 "[ . 1 . 2]" 1
188 1 23 LEU HA 1 23 LEU HG . . 4.220 2.516 2.416 2.606 . 0 0 "[ . 1 . 2]" 1
189 1 23 LEU HA 1 41 GLN QE . . 4.550 3.053 2.607 3.637 . 0 0 "[ . 1 . 2]" 1
190 1 23 LEU HA 1 41 GLN HG2 . . 4.270 3.388 3.022 3.908 . 0 0 "[ . 1 . 2]" 1
191 1 23 LEU HA 1 41 GLN QG . . 3.680 2.937 2.294 3.451 . 0 0 "[ . 1 . 2]" 1
192 1 23 LEU HA 1 41 GLN HG3 . . 4.270 3.290 2.341 4.204 . 0 0 "[ . 1 . 2]" 1
193 1 23 LEU HB2 1 23 LEU MD1 . . 3.460 2.326 2.210 2.426 . 0 0 "[ . 1 . 2]" 1
194 1 23 LEU HB2 1 23 LEU MD2 . . 3.500 2.348 2.258 2.442 . 0 0 "[ . 1 . 2]" 1
195 1 23 LEU HB2 1 24 GLY H . . 4.030 2.739 2.415 3.347 . 0 0 "[ . 1 . 2]" 1
196 1 23 LEU HB2 1 25 VAL H . . 4.100 3.315 3.040 3.738 . 0 0 "[ . 1 . 2]" 1
197 1 23 LEU HB2 1 25 VAL MG2 . . 3.380 2.796 2.432 3.073 . 0 0 "[ . 1 . 2]" 1
198 1 23 LEU HB2 1 70 LEU MD1 . . 4.250 4.117 3.794 4.249 . 0 0 "[ . 1 . 2]" 1
199 1 23 LEU HB3 1 23 LEU MD1 . . 3.330 3.187 3.179 3.194 . 0 0 "[ . 1 . 2]" 1
200 1 23 LEU HB3 1 23 LEU MD2 . . 3.460 2.351 2.233 2.445 . 0 0 "[ . 1 . 2]" 1
201 1 23 LEU HB3 1 24 GLY H . . 4.370 3.203 2.779 3.847 . 0 0 "[ . 1 . 2]" 1
202 1 23 LEU HB3 1 25 VAL H . . 4.270 3.478 3.101 4.032 . 0 0 "[ . 1 . 2]" 1
203 1 23 LEU HB3 1 25 VAL MG2 . . 3.710 3.054 2.618 3.372 . 0 0 "[ . 1 . 2]" 1
204 1 23 LEU HB3 1 41 GLN QE . . 4.680 4.525 4.248 4.681 0.001 9 0 "[ . 1 . 2]" 1
205 1 23 LEU MD1 1 24 GLY H . . 4.540 4.124 4.049 4.196 . 0 0 "[ . 1 . 2]" 1
206 1 23 LEU MD1 1 38 TYR H . . 4.750 4.295 3.894 4.702 . 0 0 "[ . 1 . 2]" 1
207 1 23 LEU MD1 1 38 TYR HA . . 3.490 3.225 2.833 3.485 . 0 0 "[ . 1 . 2]" 1
208 1 23 LEU MD1 1 38 TYR HB2 . . 3.870 3.388 2.982 3.768 . 0 0 "[ . 1 . 2]" 1
209 1 23 LEU MD1 1 38 TYR QD . . 3.900 3.311 2.697 3.658 . 0 0 "[ . 1 . 2]" 1
210 1 23 LEU MD1 1 41 GLN HG2 . . 4.360 3.738 2.895 4.243 . 0 0 "[ . 1 . 2]" 1
211 1 23 LEU MD1 1 41 GLN HG3 . . 4.360 3.298 2.429 4.351 . 0 0 "[ . 1 . 2]" 1
212 1 23 LEU MD1 1 63 ILE HA . . 4.200 3.409 3.217 3.608 . 0 0 "[ . 1 . 2]" 1
213 1 23 LEU MD1 1 66 ALA H . . 4.240 4.075 3.904 4.239 . 0 0 "[ . 1 . 2]" 1
214 1 23 LEU MD1 1 66 ALA HA . . 4.450 4.105 3.899 4.318 . 0 0 "[ . 1 . 2]" 1
215 1 23 LEU MD1 1 66 ALA MB . . 3.240 1.818 1.678 1.909 . 0 0 "[ . 1 . 2]" 1
216 1 23 LEU MD1 1 67 TYR H . . 3.900 3.722 3.360 3.896 . 0 0 "[ . 1 . 2]" 1
217 1 23 LEU MD1 1 67 TYR HA . . 5.280 4.180 3.548 4.538 . 0 0 "[ . 1 . 2]" 1
218 1 23 LEU MD1 1 67 TYR QB . . 4.700 3.585 3.205 3.943 . 0 0 "[ . 1 . 2]" 1
219 1 23 LEU MD1 1 67 TYR QD . . 4.460 4.358 4.006 4.459 . 0 0 "[ . 1 . 2]" 1
220 1 23 LEU MD1 1 70 LEU MD1 . . 4.260 3.671 3.300 4.016 . 0 0 "[ . 1 . 2]" 1
221 1 23 LEU MD2 1 24 GLY H . . 5.150 4.589 4.232 5.137 . 0 0 "[ . 1 . 2]" 1
222 1 23 LEU MD2 1 34 ILE HA . . 4.460 2.625 2.185 2.956 . 0 0 "[ . 1 . 2]" 1
223 1 23 LEU MD2 1 37 ALA H . . 5.410 4.018 3.800 4.226 . 0 0 "[ . 1 . 2]" 1
224 1 23 LEU MD2 1 38 TYR H . . 4.010 2.576 2.305 2.963 . 0 0 "[ . 1 . 2]" 1
225 1 23 LEU MD2 1 38 TYR HA . . 4.050 3.245 2.961 3.702 . 0 0 "[ . 1 . 2]" 1
226 1 23 LEU MD2 1 38 TYR HB2 . . 3.990 2.275 2.004 2.440 . 0 0 "[ . 1 . 2]" 1
227 1 23 LEU MD2 1 38 TYR QD . . 4.710 3.707 3.210 4.076 . 0 0 "[ . 1 . 2]" 1
228 1 23 LEU MD2 1 39 TYR H . . 5.060 4.902 4.704 5.040 . 0 0 "[ . 1 . 2]" 1
229 1 23 LEU MD2 1 66 ALA MB . . 3.610 2.872 2.572 3.204 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU MD2 1 67 TYR H . . 4.640 4.416 4.205 4.635 . 0 0 "[ . 1 . 2]" 1
231 1 23 LEU MD2 1 67 TYR HA . . 3.900 3.493 3.009 3.785 . 0 0 "[ . 1 . 2]" 1
232 1 23 LEU MD2 1 67 TYR QB . . 5.080 3.521 3.050 3.971 . 0 0 "[ . 1 . 2]" 1
233 1 23 LEU MD2 1 67 TYR QD . . 4.160 2.969 2.773 3.146 . 0 0 "[ . 1 . 2]" 1
234 1 23 LEU MD2 1 70 LEU MD1 . . 3.190 2.974 2.634 3.136 . 0 0 "[ . 1 . 2]" 1
235 1 23 LEU HG 1 66 ALA MB . . 4.310 4.134 3.948 4.276 . 0 0 "[ . 1 . 2]" 1
236 1 24 GLY H 1 25 VAL H . . 3.150 2.068 1.800 2.491 . 0 0 "[ . 1 . 2]" 1
237 1 24 GLY H 1 25 VAL MG1 . . 4.380 3.832 3.527 4.214 . 0 0 "[ . 1 . 2]" 1
238 1 24 GLY H 1 25 VAL MG2 . . 4.210 3.348 3.002 3.734 . 0 0 "[ . 1 . 2]" 1
239 1 24 GLY QA 1 25 VAL MG1 . . 4.720 3.761 3.516 3.927 . 0 0 "[ . 1 . 2]" 1
240 1 25 VAL H 1 25 VAL MG1 . . 3.510 2.699 2.398 3.115 . 0 0 "[ . 1 . 2]" 1
241 1 25 VAL H 1 25 VAL MG2 . . 3.040 2.054 1.886 2.375 . 0 0 "[ . 1 . 2]" 1
242 1 25 VAL H 1 26 PRO HD2 . . 4.900 4.821 4.806 4.832 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL HA 1 25 VAL MG1 . . 3.380 2.343 2.223 2.451 . 0 0 "[ . 1 . 2]" 1
244 1 25 VAL HA 1 26 PRO HD2 . . 3.670 2.340 2.289 2.373 . 0 0 "[ . 1 . 2]" 1
245 1 25 VAL HA 1 26 PRO HD3 . . 3.520 2.279 2.265 2.290 . 0 0 "[ . 1 . 2]" 1
246 1 25 VAL HA 1 26 PRO HG2 . . 4.690 4.464 4.423 4.491 . 0 0 "[ . 1 . 2]" 1
247 1 25 VAL HA 1 26 PRO QG . . 4.090 3.965 3.934 3.985 . 0 0 "[ . 1 . 2]" 1
248 1 25 VAL HA 1 26 PRO HG3 . . 4.690 4.437 4.409 4.456 . 0 0 "[ . 1 . 2]" 1
249 1 25 VAL HA 1 29 ALA MB . . 4.270 3.570 3.358 3.808 . 0 0 "[ . 1 . 2]" 1
250 1 25 VAL HB 1 26 PRO HD2 . . 3.740 2.065 2.001 2.217 . 0 0 "[ . 1 . 2]" 1
251 1 25 VAL HB 1 26 PRO HD3 . . 3.930 3.505 3.443 3.637 . 0 0 "[ . 1 . 2]" 1
252 1 25 VAL HB 1 29 ALA MB . . 3.330 1.943 1.833 2.238 . 0 0 "[ . 1 . 2]" 1
253 1 25 VAL HB 1 34 ILE HG13 . . 4.420 3.862 3.613 4.205 . 0 0 "[ . 1 . 2]" 1
254 1 25 VAL MG1 1 26 PRO HD2 . . 4.180 3.140 2.966 3.322 . 0 0 "[ . 1 . 2]" 1
255 1 25 VAL MG1 1 26 PRO HD3 . . 4.220 3.891 3.761 4.099 . 0 0 "[ . 1 . 2]" 1
256 1 25 VAL MG1 1 29 ALA MB . . 3.340 2.916 2.769 3.161 . 0 0 "[ . 1 . 2]" 1
257 1 25 VAL MG1 1 33 GLN H . . 5.500 4.845 4.446 5.214 . 0 0 "[ . 1 . 2]" 1
258 1 25 VAL MG1 1 33 GLN HB2 . . 4.470 3.152 2.774 3.484 . 0 0 "[ . 1 . 2]" 1
259 1 25 VAL MG1 1 33 GLN QB . . 3.860 2.157 1.876 2.469 . 0 0 "[ . 1 . 2]" 1
260 1 25 VAL MG1 1 33 GLN HB3 . . 4.470 2.198 1.908 2.577 . 0 0 "[ . 1 . 2]" 1
261 1 25 VAL MG1 1 34 ILE H . . 3.850 3.194 2.685 3.789 . 0 0 "[ . 1 . 2]" 1
262 1 25 VAL MG1 1 34 ILE HA . . 3.500 2.326 1.987 3.126 . 0 0 "[ . 1 . 2]" 1
263 1 25 VAL MG1 1 37 ALA H . . 4.110 3.820 3.501 4.108 . 0 0 "[ . 1 . 2]" 1
264 1 25 VAL MG1 1 37 ALA HA . . 4.470 4.376 4.077 4.470 . 14 0 "[ . 1 . 2]" 1
265 1 25 VAL MG1 1 37 ALA MB . . 2.800 2.218 1.960 2.372 . 0 0 "[ . 1 . 2]" 1
266 1 25 VAL MG2 1 26 PRO HD2 . . 4.400 3.601 3.445 3.795 . 0 0 "[ . 1 . 2]" 1
267 1 25 VAL MG2 1 29 ALA H . . 4.630 4.277 4.000 4.615 . 0 0 "[ . 1 . 2]" 1
268 1 25 VAL MG2 1 29 ALA MB . . 3.200 2.584 2.093 2.927 . 0 0 "[ . 1 . 2]" 1
269 1 25 VAL MG2 1 34 ILE H . . 4.470 4.067 3.686 4.389 . 0 0 "[ . 1 . 2]" 1
270 1 25 VAL MG2 1 34 ILE HA . . 3.640 2.759 2.304 3.172 . 0 0 "[ . 1 . 2]" 1
271 1 25 VAL MG2 1 37 ALA MB . . 4.070 3.508 2.937 3.819 . 0 0 "[ . 1 . 2]" 1
272 1 25 VAL MG2 1 70 LEU MD1 . . 4.150 3.286 2.990 3.724 . 0 0 "[ . 1 . 2]" 1
273 1 26 PRO HA 1 27 SER H . . 2.980 2.407 2.290 2.569 . 0 0 "[ . 1 . 2]" 1
274 1 26 PRO HA 1 29 ALA H . . 5.140 4.775 4.555 5.022 . 0 0 "[ . 1 . 2]" 1
275 1 26 PRO HB2 1 27 SER H . . 3.650 2.604 2.220 2.914 . 0 0 "[ . 1 . 2]" 1
276 1 26 PRO HB2 1 28 THR H . . 3.230 2.193 2.132 2.248 . 0 0 "[ . 1 . 2]" 1
277 1 26 PRO HB2 1 29 ALA H . . 3.830 3.534 3.339 3.660 . 0 0 "[ . 1 . 2]" 1
278 1 26 PRO HB3 1 27 SER H . . 3.740 3.452 3.269 3.615 . 0 0 "[ . 1 . 2]" 1
279 1 26 PRO HB3 1 28 THR H . . 4.020 3.922 3.832 4.000 . 0 0 "[ . 1 . 2]" 1
280 1 26 PRO HB3 1 29 ALA H . . 5.050 4.938 4.732 5.050 . 15 0 "[ . 1 . 2]" 1
281 1 26 PRO HD2 1 29 ALA H . . 4.620 4.031 3.869 4.224 . 0 0 "[ . 1 . 2]" 1
282 1 26 PRO HD2 1 29 ALA MB . . 3.550 2.039 1.825 2.347 . 0 0 "[ . 1 . 2]" 1
283 1 26 PRO HD3 1 29 ALA MB . . 4.000 3.495 3.267 3.850 . 0 0 "[ . 1 . 2]" 1
284 1 26 PRO QG 1 29 ALA H . . 4.090 2.689 2.532 2.832 . 0 0 "[ . 1 . 2]" 1
285 1 26 PRO QG 1 29 ALA HA . . 4.430 2.417 2.003 3.434 . 0 0 "[ . 1 . 2]" 1
286 1 26 PRO QG 1 29 ALA MB . . 3.550 2.302 2.003 2.663 . 0 0 "[ . 1 . 2]" 1
287 1 26 PRO HG2 1 28 THR H . . 4.460 3.206 2.766 3.316 . 0 0 "[ . 1 . 2]" 1
288 1 26 PRO HG2 1 29 ALA H . . 4.690 2.712 2.550 2.858 . 0 0 "[ . 1 . 2]" 1
289 1 26 PRO HG3 1 28 THR H . . 4.460 4.383 4.127 4.458 . 0 0 "[ . 1 . 2]" 1
290 1 26 PRO HG3 1 29 ALA H . . 4.690 4.461 4.299 4.607 . 0 0 "[ . 1 . 2]" 1
291 1 27 SER H 1 27 SER HB2 . . 3.690 2.934 2.189 3.604 . 0 0 "[ . 1 . 2]" 1
292 1 27 SER H 1 27 SER QB . . 3.180 2.365 2.168 2.743 . 0 0 "[ . 1 . 2]" 1
293 1 27 SER H 1 27 SER HB3 . . 3.690 2.707 2.400 3.589 . 0 0 "[ . 1 . 2]" 1
294 1 27 SER H 1 28 THR H . . 3.590 2.576 2.394 2.682 . 0 0 "[ . 1 . 2]" 1
295 1 27 SER H 1 29 ALA H . . 4.730 4.252 4.098 4.439 . 0 0 "[ . 1 . 2]" 1
296 1 27 SER HA 1 29 ALA H . . 4.190 3.820 3.700 3.955 . 0 0 "[ . 1 . 2]" 1
297 1 27 SER HB2 1 28 THR H . . 4.640 4.019 3.059 4.457 . 0 0 "[ . 1 . 2]" 1
298 1 27 SER HB3 1 28 THR H . . 4.640 3.732 3.096 4.356 . 0 0 "[ . 1 . 2]" 1
299 1 28 THR H 1 28 THR HB . . 3.780 3.313 2.847 3.784 0.004 15 0 "[ . 1 . 2]" 1
300 1 28 THR H 1 28 THR MG . . 3.240 2.365 2.065 2.800 . 0 0 "[ . 1 . 2]" 1
301 1 28 THR H 1 29 ALA H . . 3.260 2.438 1.998 2.603 . 0 0 "[ . 1 . 2]" 1
302 1 28 THR H 1 29 ALA MB . . 4.140 3.888 3.660 4.004 . 0 0 "[ . 1 . 2]" 1
303 1 28 THR HA 1 28 THR MG . . 3.240 2.901 2.341 3.207 . 0 0 "[ . 1 . 2]" 1
304 1 28 THR HA 1 29 ALA MB . . 5.160 4.630 4.512 4.837 . 0 0 "[ . 1 . 2]" 1
305 1 28 THR HB 1 29 ALA H . . 5.400 4.484 4.166 4.608 . 0 0 "[ . 1 . 2]" 1
306 1 28 THR MG 1 29 ALA H . . 4.240 3.687 2.648 4.248 0.008 17 0 "[ . 1 . 2]" 1
307 1 29 ALA H 1 29 ALA MB . . 2.940 2.130 2.038 2.187 . 0 0 "[ . 1 . 2]" 1
308 1 29 ALA H 1 30 THR H . . 4.680 4.586 4.524 4.642 . 0 0 "[ . 1 . 2]" 1
309 1 29 ALA H 1 34 ILE MD . . 4.630 4.470 4.184 4.630 0.000 12 0 "[ . 1 . 2]" 1
310 1 29 ALA HA 1 30 THR H . . 3.060 2.541 2.349 2.648 . 0 0 "[ . 1 . 2]" 1
311 1 29 ALA HA 1 30 THR MG . . 3.970 3.586 3.209 3.910 . 0 0 "[ . 1 . 2]" 1
312 1 29 ALA HA 1 33 GLN QE . . 4.830 2.960 1.911 4.639 . 0 0 "[ . 1 . 2]" 1
313 1 29 ALA MB 1 30 THR H . . 3.430 2.292 2.134 2.590 . 0 0 "[ . 1 . 2]" 1
314 1 29 ALA MB 1 33 GLN H . . 4.520 4.300 3.999 4.478 . 0 0 "[ . 1 . 2]" 1
315 1 29 ALA MB 1 33 GLN HA . . 5.500 4.890 4.569 5.189 . 0 0 "[ . 1 . 2]" 1
316 1 29 ALA MB 1 33 GLN HB2 . . 3.820 2.402 1.999 2.708 . 0 0 "[ . 1 . 2]" 1
317 1 29 ALA MB 1 33 GLN QB . . 3.260 2.305 1.959 2.574 . 0 0 "[ . 1 . 2]" 1
318 1 29 ALA MB 1 33 GLN HB3 . . 3.820 2.989 2.632 3.448 . 0 0 "[ . 1 . 2]" 1
319 1 29 ALA MB 1 33 GLN HE21 . . 4.620 3.136 1.980 4.417 . 0 0 "[ . 1 . 2]" 1
320 1 29 ALA MB 1 33 GLN HE22 . . 4.620 3.324 2.391 4.601 . 0 0 "[ . 1 . 2]" 1
321 1 29 ALA MB 1 34 ILE H . . 4.130 3.167 2.727 3.413 . 0 0 "[ . 1 . 2]" 1
322 1 29 ALA MB 1 34 ILE HA . . 4.510 4.051 3.727 4.229 . 0 0 "[ . 1 . 2]" 1
323 1 29 ALA MB 1 34 ILE MD . . 3.430 2.835 2.480 3.306 . 0 0 "[ . 1 . 2]" 1
324 1 29 ALA MB 1 34 ILE HG12 . . 4.500 3.043 2.649 3.367 . 0 0 "[ . 1 . 2]" 1
325 1 29 ALA MB 1 34 ILE HG13 . . 3.300 2.311 2.065 2.545 . 0 0 "[ . 1 . 2]" 1
326 1 29 ALA MB 1 34 ILE MG . . 4.680 4.485 4.257 4.679 . 0 0 "[ . 1 . 2]" 1
327 1 30 THR H 1 30 THR MG . . 3.220 2.287 1.883 2.986 . 0 0 "[ . 1 . 2]" 1
328 1 30 THR H 1 31 GLN HA . . 5.500 5.362 5.253 5.470 . 0 0 "[ . 1 . 2]" 1
329 1 30 THR H 1 33 GLN H . . 4.210 3.326 3.123 3.548 . 0 0 "[ . 1 . 2]" 1
330 1 30 THR H 1 33 GLN HA . . 5.500 5.113 4.912 5.269 . 0 0 "[ . 1 . 2]" 1
331 1 30 THR H 1 33 GLN HB2 . . 4.140 2.322 2.097 2.586 . 0 0 "[ . 1 . 2]" 1
332 1 30 THR H 1 33 GLN QB . . 3.380 2.304 2.085 2.561 . 0 0 "[ . 1 . 2]" 1
333 1 30 THR H 1 33 GLN HB3 . . 4.140 3.878 3.605 4.139 . 0 0 "[ . 1 . 2]" 1
334 1 30 THR H 1 33 GLN QG . . 4.540 2.991 2.546 3.443 . 0 0 "[ . 1 . 2]" 1
335 1 30 THR H 1 34 ILE MD . . 4.670 4.221 3.857 4.581 . 0 0 "[ . 1 . 2]" 1
336 1 30 THR HA 1 30 THR MG . . 3.300 2.886 2.244 3.207 . 0 0 "[ . 1 . 2]" 1
337 1 30 THR HG1 1 33 GLN H . . 4.760 3.653 1.915 4.748 . 0 0 "[ . 1 . 2]" 1
338 1 30 THR MG 1 31 GLN H . . 4.750 3.646 3.069 3.941 . 0 0 "[ . 1 . 2]" 1
339 1 30 THR MG 1 33 GLN H . . 4.580 2.947 1.893 4.569 . 0 0 "[ . 1 . 2]" 1
340 1 30 THR MG 1 33 GLN QG . . 4.120 2.716 1.863 3.994 . 0 0 "[ . 1 . 2]" 1
341 1 31 GLN H 1 31 GLN QG . . 4.390 3.324 1.973 4.085 . 0 0 "[ . 1 . 2]" 1
342 1 31 GLN HA 1 31 GLN HE21 . . 4.170 3.487 2.007 4.147 . 0 0 "[ . 1 . 2]" 1
343 1 31 GLN HA 1 31 GLN HE22 . . 5.170 4.261 3.049 5.170 0.000 17 0 "[ . 1 . 2]" 1
344 1 31 GLN HA 1 34 ILE H . . 4.100 3.833 3.617 4.033 . 0 0 "[ . 1 . 2]" 1
345 1 31 GLN HA 1 34 ILE HB . . 3.300 2.654 2.353 2.865 . 0 0 "[ . 1 . 2]" 1
346 1 31 GLN HA 1 34 ILE MD . . 3.560 2.945 2.504 3.450 . 0 0 "[ . 1 . 2]" 1
347 1 31 GLN HA 1 34 ILE MG . . 4.320 3.964 3.617 4.224 . 0 0 "[ . 1 . 2]" 1
348 1 31 GLN HA 1 35 LYS H . . 4.360 3.913 3.576 4.239 . 0 0 "[ . 1 . 2]" 1
349 1 31 GLN HB2 1 31 GLN HE21 . . 4.360 3.257 1.927 4.119 . 0 0 "[ . 1 . 2]" 1
350 1 31 GLN HB3 1 31 GLN HE21 . . 4.360 3.218 1.900 4.255 . 0 0 "[ . 1 . 2]" 1
351 1 32 ALA H 1 33 GLN H . . 3.970 2.821 2.531 3.036 . 0 0 "[ . 1 . 2]" 1
352 1 32 ALA HA 1 35 LYS H . . 4.230 4.101 3.953 4.224 . 0 0 "[ . 1 . 2]" 1
353 1 32 ALA HA 1 35 LYS HB2 . . 4.240 4.083 3.720 4.230 . 0 0 "[ . 1 . 2]" 1
354 1 32 ALA HA 1 35 LYS HB3 . . 4.500 3.357 3.047 3.686 . 0 0 "[ . 1 . 2]" 1
355 1 32 ALA HA 1 35 LYS QD . . 4.230 3.902 3.563 4.212 . 0 0 "[ . 1 . 2]" 1
356 1 32 ALA MB 1 33 GLN H . . 3.460 2.589 2.375 2.789 . 0 0 "[ . 1 . 2]" 1
357 1 32 ALA MB 1 33 GLN QG . . 4.070 3.139 2.879 3.359 . 0 0 "[ . 1 . 2]" 1
358 1 33 GLN H 1 33 GLN QB . . 3.490 2.378 2.286 2.479 . 0 0 "[ . 1 . 2]" 1
359 1 33 GLN H 1 33 GLN QE . . 4.800 4.278 3.666 4.800 0.000 12 0 "[ . 1 . 2]" 1
360 1 33 GLN H 1 33 GLN QG . . 3.250 2.432 2.282 2.682 . 0 0 "[ . 1 . 2]" 1
361 1 33 GLN H 1 34 ILE H . . 3.640 2.765 2.539 2.923 . 0 0 "[ . 1 . 2]" 1
362 1 33 GLN H 1 34 ILE HB . . 4.780 4.680 4.505 4.778 . 0 0 "[ . 1 . 2]" 1
363 1 33 GLN H 1 34 ILE MD . . 5.500 5.090 4.677 5.443 . 0 0 "[ . 1 . 2]" 1
364 1 33 GLN H 1 34 ILE HG13 . . 4.690 4.437 4.074 4.682 . 0 0 "[ . 1 . 2]" 1
365 1 33 GLN HA 1 33 GLN QG . . 3.460 2.371 2.221 2.658 . 0 0 "[ . 1 . 2]" 1
366 1 33 GLN HA 1 35 LYS H . . 4.820 3.921 3.711 4.137 . 0 0 "[ . 1 . 2]" 1
367 1 33 GLN HA 1 36 ALA MB . . 3.420 2.552 2.376 2.828 . 0 0 "[ . 1 . 2]" 1
368 1 33 GLN QB 1 34 ILE H . . 3.890 2.132 2.019 2.276 . 0 0 "[ . 1 . 2]" 1
369 1 33 GLN HB2 1 34 ILE H . . 4.760 2.172 2.056 2.315 . 0 0 "[ . 1 . 2]" 1
370 1 33 GLN HB3 1 34 ILE H . . 4.760 3.110 2.902 3.414 . 0 0 "[ . 1 . 2]" 1
371 1 33 GLN QG 1 34 ILE H . . 3.990 3.934 3.843 3.990 . 0 0 "[ . 1 . 2]" 1
372 1 33 GLN QG 1 35 LYS H . . 5.500 5.332 5.171 5.462 . 0 0 "[ . 1 . 2]" 1
373 1 33 GLN QG 1 36 ALA H . . 5.500 5.346 5.124 5.492 . 0 0 "[ . 1 . 2]" 1
374 1 33 GLN QG 1 36 ALA MB . . 4.460 4.105 3.934 4.459 . 0 0 "[ . 1 . 2]" 1
375 1 34 ILE H 1 34 ILE HB . . 3.380 2.614 2.464 2.711 . 0 0 "[ . 1 . 2]" 1
376 1 34 ILE H 1 34 ILE MD . . 3.990 3.451 3.133 3.612 . 0 0 "[ . 1 . 2]" 1
377 1 34 ILE H 1 34 ILE HG12 . . 4.500 3.381 3.144 3.627 . 0 0 "[ . 1 . 2]" 1
378 1 34 ILE H 1 34 ILE HG13 . . 3.730 2.023 1.901 2.261 . 0 0 "[ . 1 . 2]" 1
379 1 34 ILE H 1 34 ILE MG . . 4.000 3.776 3.756 3.788 . 0 0 "[ . 1 . 2]" 1
380 1 34 ILE H 1 35 LYS H . . 3.700 2.901 2.810 2.996 . 0 0 "[ . 1 . 2]" 1
381 1 34 ILE HA 1 34 ILE MD . . 4.310 3.836 3.794 3.876 . 0 0 "[ . 1 . 2]" 1
382 1 34 ILE HA 1 34 ILE HG12 . . 4.040 2.581 2.468 2.807 . 0 0 "[ . 1 . 2]" 1
383 1 34 ILE HA 1 34 ILE HG13 . . 3.780 2.845 2.690 3.037 . 0 0 "[ . 1 . 2]" 1
384 1 34 ILE HA 1 34 ILE MG . . 3.450 2.414 2.330 2.518 . 0 0 "[ . 1 . 2]" 1
385 1 34 ILE HA 1 37 ALA H . . 4.310 4.018 3.773 4.296 . 0 0 "[ . 1 . 2]" 1
386 1 34 ILE HA 1 37 ALA MB . . 3.660 3.006 2.645 3.246 . 0 0 "[ . 1 . 2]" 1
387 1 34 ILE HB 1 34 ILE MD . . 3.460 2.275 2.180 2.378 . 0 0 "[ . 1 . 2]" 1
388 1 34 ILE HB 1 35 LYS H . . 3.480 2.871 2.672 3.090 . 0 0 "[ . 1 . 2]" 1
389 1 34 ILE MD 1 70 LEU HA . . 4.570 3.960 3.402 4.315 . 0 0 "[ . 1 . 2]" 1
390 1 34 ILE MD 1 70 LEU HB2 . . 3.910 3.418 3.115 3.797 . 0 0 "[ . 1 . 2]" 1
391 1 34 ILE MD 1 70 LEU QB . . 3.380 2.359 1.958 2.616 . 0 0 "[ . 1 . 2]" 1
392 1 34 ILE MD 1 70 LEU HB3 . . 3.910 2.411 1.977 2.665 . 0 0 "[ . 1 . 2]" 1
393 1 34 ILE MD 1 70 LEU MD1 . . 3.840 3.581 2.914 3.835 . 0 0 "[ . 1 . 2]" 1
394 1 34 ILE MD 1 70 LEU MD2 . . 3.950 3.526 2.564 3.890 . 0 0 "[ . 1 . 2]" 1
395 1 34 ILE MD 1 76 ARG QD . . 4.180 2.918 1.826 4.154 . 0 0 "[ . 1 . 2]" 1
396 1 34 ILE MD 1 76 ARG HE . . 4.800 3.407 2.246 4.795 . 0 0 "[ . 1 . 2]" 1
397 1 34 ILE MD 1 76 ARG QH1 . . 4.530 3.396 1.960 4.529 . 0 0 "[ . 1 . 2]" 1
398 1 34 ILE MD 1 76 ARG QH2 . . 4.930 3.377 1.769 4.333 . 0 0 "[ . 1 . 2]" 1
399 1 34 ILE HG12 1 34 ILE MG . . 3.720 2.318 2.112 2.446 . 0 0 "[ . 1 . 2]" 1
400 1 34 ILE HG12 1 35 LYS H . . 5.400 5.134 5.001 5.269 . 0 0 "[ . 1 . 2]" 1
401 1 34 ILE HG12 1 70 LEU MD2 . . 5.450 4.639 3.984 5.205 . 0 0 "[ . 1 . 2]" 1
402 1 34 ILE HG13 1 34 ILE MG . . 3.680 3.187 3.136 3.202 . 0 0 "[ . 1 . 2]" 1
403 1 34 ILE HG13 1 35 LYS H . . 4.900 4.385 4.235 4.595 . 0 0 "[ . 1 . 2]" 1
404 1 34 ILE MG 1 35 LYS H . . 3.730 3.547 3.303 3.696 . 0 0 "[ . 1 . 2]" 1
405 1 34 ILE MG 1 35 LYS HA . . 4.110 3.482 3.205 3.645 . 0 0 "[ . 1 . 2]" 1
406 1 34 ILE MG 1 38 TYR HB2 . . 4.220 4.103 3.619 4.220 0.000 14 0 "[ . 1 . 2]" 1
407 1 34 ILE MG 1 67 TYR HA . . 3.850 3.546 3.333 3.797 . 0 0 "[ . 1 . 2]" 1
408 1 34 ILE MG 1 67 TYR QD . . 3.380 2.738 2.310 3.166 . 0 0 "[ . 1 . 2]" 1
409 1 34 ILE MG 1 67 TYR QE . . 3.620 2.892 2.328 3.610 . 0 0 "[ . 1 . 2]" 1
410 1 34 ILE MG 1 70 LEU H . . 4.800 4.642 4.389 4.795 . 0 0 "[ . 1 . 2]" 1
411 1 34 ILE MG 1 70 LEU HA . . 5.050 4.359 3.840 4.787 . 0 0 "[ . 1 . 2]" 1
412 1 34 ILE MG 1 70 LEU HB2 . . 4.380 2.562 1.986 2.820 . 0 0 "[ . 1 . 2]" 1
413 1 34 ILE MG 1 70 LEU QB . . 3.520 2.373 1.858 2.621 . 0 0 "[ . 1 . 2]" 1
414 1 34 ILE MG 1 70 LEU HB3 . . 4.380 2.849 2.235 3.335 . 0 0 "[ . 1 . 2]" 1
415 1 34 ILE MG 1 70 LEU MD1 . . 3.900 2.953 2.579 3.372 . 0 0 "[ . 1 . 2]" 1
416 1 34 ILE MG 1 71 GLY H . . 4.280 4.003 3.666 4.151 . 0 0 "[ . 1 . 2]" 1
417 1 34 ILE MG 1 71 GLY HA2 . . 4.540 3.045 2.411 3.306 . 0 0 "[ . 1 . 2]" 1
418 1 34 ILE MG 1 71 GLY HA3 . . 4.620 4.404 3.838 4.620 0.000 4 0 "[ . 1 . 2]" 1
419 1 35 LYS H 1 35 LYS HB2 . . 3.290 2.543 2.285 2.794 . 0 0 "[ . 1 . 2]" 1
420 1 35 LYS H 1 35 LYS HB3 . . 3.710 2.611 2.458 2.847 . 0 0 "[ . 1 . 2]" 1
421 1 35 LYS H 1 35 LYS QD . . 4.930 4.447 4.219 4.609 . 0 0 "[ . 1 . 2]" 1
422 1 35 LYS H 1 35 LYS QG . . 4.690 3.980 3.876 4.060 . 0 0 "[ . 1 . 2]" 1
423 1 35 LYS H 1 36 ALA H . . 3.510 2.614 2.368 2.737 . 0 0 "[ . 1 . 2]" 1
424 1 35 LYS H 1 36 ALA MB . . 4.120 4.059 3.955 4.120 . 17 0 "[ . 1 . 2]" 1
425 1 35 LYS H 1 37 ALA H . . 4.600 3.790 3.559 3.945 . 0 0 "[ . 1 . 2]" 1
426 1 35 LYS H 1 67 TYR QE . . 4.750 4.301 3.990 4.722 . 0 0 "[ . 1 . 2]" 1
427 1 35 LYS HA 1 35 LYS HG2 . . 4.110 2.793 2.356 3.238 . 0 0 "[ . 1 . 2]" 1
428 1 35 LYS HA 1 35 LYS HG3 . . 4.110 2.722 2.381 3.535 . 0 0 "[ . 1 . 2]" 1
429 1 35 LYS HA 1 37 ALA H . . 4.610 4.185 3.900 4.364 . 0 0 "[ . 1 . 2]" 1
430 1 35 LYS HA 1 38 TYR HB3 . . 4.410 2.987 2.634 3.245 . 0 0 "[ . 1 . 2]" 1
431 1 35 LYS HA 1 67 TYR QD . . 4.290 3.880 3.575 4.077 . 0 0 "[ . 1 . 2]" 1
432 1 35 LYS HA 1 67 TYR QE . . 3.540 2.225 2.009 2.552 . 0 0 "[ . 1 . 2]" 1
433 1 35 LYS HB2 1 35 LYS QD . . 3.830 2.585 2.300 3.219 . 0 0 "[ . 1 . 2]" 1
434 1 35 LYS HB2 1 35 LYS QE . . 4.460 3.733 2.184 4.184 . 0 0 "[ . 1 . 2]" 1
435 1 35 LYS HB2 1 36 ALA H . . 3.770 3.568 3.286 3.769 . 0 0 "[ . 1 . 2]" 1
436 1 35 LYS HB3 1 35 LYS QD . . 3.770 2.307 2.083 2.493 . 0 0 "[ . 1 . 2]" 1
437 1 35 LYS HB3 1 35 LYS QE . . 4.710 3.685 2.317 4.130 . 0 0 "[ . 1 . 2]" 1
438 1 35 LYS HB3 1 36 ALA H . . 4.220 2.202 1.995 2.513 . 0 0 "[ . 1 . 2]" 1
439 1 35 LYS HB3 1 36 ALA HA . . 5.130 4.047 3.820 4.202 . 0 0 "[ . 1 . 2]" 1
440 1 35 LYS HB3 1 37 ALA H . . 4.910 4.696 4.453 4.872 . 0 0 "[ . 1 . 2]" 1
441 1 35 LYS HB3 1 67 TYR QE . . 4.790 4.664 4.508 4.787 . 0 0 "[ . 1 . 2]" 1
442 1 35 LYS QD 1 36 ALA H . . 4.560 3.948 2.741 4.474 . 0 0 "[ . 1 . 2]" 1
443 1 35 LYS QD 1 39 TYR QE . . 4.090 3.396 1.993 4.050 . 0 0 "[ . 1 . 2]" 1
444 1 35 LYS QE 1 35 LYS HG2 . . 3.750 2.603 2.174 3.300 . 0 0 "[ . 1 . 2]" 1
445 1 35 LYS QE 1 35 LYS QG . . 3.290 2.149 2.069 2.241 . 0 0 "[ . 1 . 2]" 1
446 1 35 LYS QE 1 35 LYS HG3 . . 3.750 2.446 2.093 3.244 . 0 0 "[ . 1 . 2]" 1
447 1 35 LYS QE 1 39 TYR QD . . 4.760 4.047 3.332 4.756 . 0 0 "[ . 1 . 2]" 1
448 1 35 LYS QE 1 39 TYR QE . . 3.910 2.523 1.924 3.411 . 0 0 "[ . 1 . 2]" 1
449 1 35 LYS QE 1 67 TYR QE . . 4.840 4.547 3.748 4.840 0.000 3 0 "[ . 1 . 2]" 1
450 1 35 LYS QG 1 39 TYR QD . . 4.570 2.831 2.034 3.450 . 0 0 "[ . 1 . 2]" 1
451 1 35 LYS QG 1 67 TYR QE . . 4.550 3.082 2.428 3.533 . 0 0 "[ . 1 . 2]" 1
452 1 35 LYS HG2 1 39 TYR QE . . 4.020 2.646 2.007 3.040 . 0 0 "[ . 1 . 2]" 1
453 1 35 LYS HG3 1 39 TYR QE . . 4.020 3.264 2.282 4.012 . 0 0 "[ . 1 . 2]" 1
454 1 36 ALA H 1 36 ALA MB . . 2.930 2.064 2.032 2.137 . 0 0 "[ . 1 . 2]" 1
455 1 36 ALA H 1 37 ALA H . . 3.460 2.831 2.587 2.982 . 0 0 "[ . 1 . 2]" 1
456 1 36 ALA HA 1 39 TYR H . . 4.390 3.796 3.549 4.043 . 0 0 "[ . 1 . 2]" 1
457 1 36 ALA HA 1 39 TYR HB2 . . 4.420 2.804 2.617 2.957 . 0 0 "[ . 1 . 2]" 1
458 1 36 ALA HA 1 39 TYR QB . . 3.840 2.768 2.588 2.915 . 0 0 "[ . 1 . 2]" 1
459 1 36 ALA HA 1 39 TYR HB3 . . 4.420 4.268 4.035 4.414 . 0 0 "[ . 1 . 2]" 1
460 1 36 ALA HA 1 39 TYR QD . . 4.300 3.428 2.102 4.274 . 0 0 "[ . 1 . 2]" 1
461 1 36 ALA MB 1 37 ALA H . . 3.180 2.775 2.662 2.990 . 0 0 "[ . 1 . 2]" 1
462 1 36 ALA MB 1 38 TYR H . . 5.160 4.937 4.587 5.149 . 0 0 "[ . 1 . 2]" 1
463 1 37 ALA H 1 37 ALA MB . . 3.050 2.115 2.028 2.240 . 0 0 "[ . 1 . 2]" 1
464 1 37 ALA H 1 38 TYR H . . 3.520 2.835 2.604 2.975 . 0 0 "[ . 1 . 2]" 1
465 1 37 ALA H 1 38 TYR HB3 . . 4.830 4.705 4.544 4.812 . 0 0 "[ . 1 . 2]" 1
466 1 37 ALA H 1 39 TYR H . . 5.020 4.011 3.745 4.473 . 0 0 "[ . 1 . 2]" 1
467 1 37 ALA HA 1 39 TYR H . . 4.940 4.161 3.652 4.913 . 0 0 "[ . 1 . 2]" 1
468 1 37 ALA HA 1 40 ARG QB . . 3.910 3.230 2.125 3.910 0.000 7 0 "[ . 1 . 2]" 1
469 1 37 ALA HA 1 40 ARG QD . . 4.700 3.288 2.035 4.700 . 0 0 "[ . 1 . 2]" 1
470 1 37 ALA HA 1 40 ARG QG . . 4.100 2.764 1.871 3.822 . 0 0 "[ . 1 . 2]" 1
471 1 37 ALA MB 1 38 TYR H . . 3.630 2.265 1.943 2.619 . 0 0 "[ . 1 . 2]" 1
472 1 38 TYR H 1 38 TYR HB2 . . 3.510 2.659 2.548 2.792 . 0 0 "[ . 1 . 2]" 1
473 1 38 TYR H 1 38 TYR HB3 . . 3.530 2.437 2.316 2.579 . 0 0 "[ . 1 . 2]" 1
474 1 38 TYR H 1 38 TYR QD . . 4.220 4.185 4.140 4.214 . 0 0 "[ . 1 . 2]" 1
475 1 38 TYR H 1 39 TYR H . . 3.690 2.862 2.613 3.062 . 0 0 "[ . 1 . 2]" 1
476 1 38 TYR HA 1 38 TYR QD . . 3.830 2.747 2.534 3.009 . 0 0 "[ . 1 . 2]" 1
477 1 38 TYR HA 1 38 TYR QE . . 5.400 4.741 4.611 4.846 . 0 0 "[ . 1 . 2]" 1
478 1 38 TYR HA 1 41 GLN H . . 4.560 3.756 3.400 4.051 . 0 0 "[ . 1 . 2]" 1
479 1 38 TYR HA 1 41 GLN QB . . 4.400 3.070 2.524 3.973 . 0 0 "[ . 1 . 2]" 1
480 1 38 TYR HA 1 63 ILE MG . . 3.670 3.418 3.071 3.616 . 0 0 "[ . 1 . 2]" 1
481 1 38 TYR HB2 1 39 TYR H . . 4.300 4.062 3.800 4.284 . 0 0 "[ . 1 . 2]" 1
482 1 38 TYR HB2 1 67 TYR QD . . 3.910 2.830 2.444 3.361 . 0 0 "[ . 1 . 2]" 1
483 1 38 TYR HB2 1 67 TYR QE . . 4.520 3.963 3.522 4.521 0.001 15 0 "[ . 1 . 2]" 1
484 1 38 TYR HB3 1 39 TYR H . . 3.950 2.799 2.375 3.208 . 0 0 "[ . 1 . 2]" 1
485 1 38 TYR HB3 1 39 TYR HA . . 5.160 4.494 4.290 4.647 . 0 0 "[ . 1 . 2]" 1
486 1 38 TYR QD 1 39 TYR H . . 4.460 3.466 2.695 4.035 . 0 0 "[ . 1 . 2]" 1
487 1 38 TYR QD 1 39 TYR QD . . 4.510 2.952 2.166 4.137 . 0 0 "[ . 1 . 2]" 1
488 1 38 TYR QD 1 39 TYR QE . . 4.490 3.471 2.711 4.261 . 0 0 "[ . 1 . 2]" 1
489 1 38 TYR QD 1 63 ILE MG . . 3.600 2.552 2.087 3.090 . 0 0 "[ . 1 . 2]" 1
490 1 38 TYR QE 1 39 TYR HA . . 4.860 4.446 3.915 4.854 . 0 0 "[ . 1 . 2]" 1
491 1 38 TYR QE 1 39 TYR QE . . 4.220 3.988 3.666 4.202 . 0 0 "[ . 1 . 2]" 1
492 1 38 TYR QE 1 63 ILE MG . . 3.630 2.948 2.069 3.531 . 0 0 "[ . 1 . 2]" 1
493 1 38 TYR QE 1 64 SER H . . 4.890 4.106 3.311 4.653 . 0 0 "[ . 1 . 2]" 1
494 1 38 TYR QE 1 64 SER HA . . 3.640 2.224 1.999 2.776 . 0 0 "[ . 1 . 2]" 1
495 1 38 TYR QE 1 64 SER HB2 . . 4.700 4.035 3.241 4.683 . 0 0 "[ . 1 . 2]" 1
496 1 38 TYR QE 1 64 SER HB3 . . 4.700 4.367 3.961 4.689 . 0 0 "[ . 1 . 2]" 1
497 1 38 TYR QE 1 67 TYR HB2 . . 4.580 3.376 2.997 3.765 . 0 0 "[ . 1 . 2]" 1
498 1 38 TYR QE 1 67 TYR QB . . 4.000 3.062 2.808 3.432 . 0 0 "[ . 1 . 2]" 1
499 1 38 TYR QE 1 67 TYR HB3 . . 4.580 3.528 3.183 3.996 . 0 0 "[ . 1 . 2]" 1
500 1 39 TYR H 1 39 TYR HB2 . . 3.710 2.211 2.178 2.272 . 0 0 "[ . 1 . 2]" 1
501 1 39 TYR H 1 39 TYR QB . . 3.240 2.188 2.157 2.247 . 0 0 "[ . 1 . 2]" 1
502 1 39 TYR H 1 39 TYR HB3 . . 3.710 3.508 3.485 3.545 . 0 0 "[ . 1 . 2]" 1
503 1 39 TYR H 1 39 TYR QD . . 4.130 2.758 2.183 3.469 . 0 0 "[ . 1 . 2]" 1
504 1 39 TYR H 1 40 ARG H . . 3.660 2.753 2.286 2.933 . 0 0 "[ . 1 . 2]" 1
505 1 39 TYR H 1 40 ARG QB . . 4.950 4.668 4.136 4.911 . 0 0 "[ . 1 . 2]" 1
506 1 39 TYR HA 1 39 TYR QD . . 3.540 2.571 2.019 3.049 . 0 0 "[ . 1 . 2]" 1
507 1 39 TYR HA 1 39 TYR QE . . 4.530 4.359 4.154 4.521 . 0 0 "[ . 1 . 2]" 1
508 1 39 TYR HA 1 42 CYS H . . 4.370 3.654 3.145 4.041 . 0 0 "[ . 1 . 2]" 1
509 1 39 TYR HA 1 42 CYS HB2 . . 4.720 3.677 2.890 4.467 . 0 0 "[ . 1 . 2]" 1
510 1 39 TYR HA 1 42 CYS QB . . 3.970 3.264 2.646 3.843 . 0 0 "[ . 1 . 2]" 1
511 1 39 TYR HA 1 42 CYS HB3 . . 4.720 3.932 3.068 4.699 . 0 0 "[ . 1 . 2]" 1
512 1 39 TYR HA 1 43 PHE H . . 5.190 4.791 3.940 5.165 . 0 0 "[ . 1 . 2]" 1
513 1 39 TYR HB2 1 40 ARG H . . 4.080 2.609 2.282 2.979 . 0 0 "[ . 1 . 2]" 1
514 1 39 TYR HB3 1 40 ARG H . . 4.080 3.039 2.618 3.531 . 0 0 "[ . 1 . 2]" 1
515 1 40 ARG H 1 40 ARG QB . . 3.260 2.359 2.169 2.829 . 0 0 "[ . 1 . 2]" 1
516 1 40 ARG H 1 40 ARG QD . . 4.570 4.053 1.961 4.376 . 0 0 "[ . 1 . 2]" 1
517 1 40 ARG H 1 40 ARG HG2 . . 4.130 2.992 2.262 3.880 . 0 0 "[ . 1 . 2]" 1
518 1 40 ARG H 1 40 ARG QG . . 3.620 2.505 2.052 3.430 . 0 0 "[ . 1 . 2]" 1
519 1 40 ARG H 1 40 ARG HG3 . . 4.130 3.032 2.286 3.858 . 0 0 "[ . 1 . 2]" 1
520 1 40 ARG H 1 41 GLN H . . 3.720 2.837 2.736 3.080 . 0 0 "[ . 1 . 2]" 1
521 1 40 ARG HA 1 40 ARG QD . . 4.700 3.870 1.974 4.507 . 0 0 "[ . 1 . 2]" 1
522 1 40 ARG HA 1 40 ARG HG2 . . 4.050 3.016 2.207 3.897 . 0 0 "[ . 1 . 2]" 1
523 1 40 ARG HA 1 40 ARG HG3 . . 4.050 3.352 2.455 3.741 . 0 0 "[ . 1 . 2]" 1
524 1 40 ARG HA 1 43 PHE H . . 4.630 3.701 3.423 4.027 . 0 0 "[ . 1 . 2]" 1
525 1 40 ARG HA 1 43 PHE HB2 . . 4.520 4.058 3.374 4.519 . 0 0 "[ . 1 . 2]" 1
526 1 40 ARG HA 1 43 PHE QB . . 3.950 3.007 2.458 3.678 . 0 0 "[ . 1 . 2]" 1
527 1 40 ARG HA 1 43 PHE HB3 . . 4.520 3.119 2.501 3.897 . 0 0 "[ . 1 . 2]" 1
528 1 40 ARG QB 1 41 GLN H . . 3.990 2.957 2.390 3.994 0.004 14 0 "[ . 1 . 2]" 1
529 1 40 ARG QB 1 41 GLN QE . . 4.710 3.326 1.887 4.694 . 0 0 "[ . 1 . 2]" 1
530 1 40 ARG QD 1 41 GLN QE . . 4.510 3.645 2.556 4.500 . 0 0 "[ . 1 . 2]" 1
531 1 40 ARG QD 1 44 LEU MD1 . . 4.400 4.029 3.284 4.400 0.000 19 0 "[ . 1 . 2]" 1
532 1 40 ARG QG 1 41 GLN H . . 5.340 3.512 2.025 4.443 . 0 0 "[ . 1 . 2]" 1
533 1 40 ARG QG 1 41 GLN QE . . 5.180 3.708 2.471 5.123 . 0 0 "[ . 1 . 2]" 1
534 1 41 GLN H 1 41 GLN HG2 . . 4.570 2.614 1.963 3.963 . 0 0 "[ . 1 . 2]" 1
535 1 41 GLN H 1 41 GLN QG . . 3.810 2.499 1.952 3.284 . 0 0 "[ . 1 . 2]" 1
536 1 41 GLN H 1 41 GLN HG3 . . 4.570 3.757 3.491 4.436 . 0 0 "[ . 1 . 2]" 1
537 1 41 GLN H 1 44 LEU MD1 . . 4.890 3.979 3.322 4.731 . 0 0 "[ . 1 . 2]" 1
538 1 41 GLN H 1 63 ILE MG . . 5.500 4.660 4.331 5.146 . 0 0 "[ . 1 . 2]" 1
539 1 41 GLN HA 1 41 GLN QE . . 4.320 3.228 2.493 3.715 . 0 0 "[ . 1 . 2]" 1
540 1 41 GLN HA 1 44 LEU H . . 4.190 3.446 3.040 3.796 . 0 0 "[ . 1 . 2]" 1
541 1 41 GLN HA 1 44 LEU QB . . 3.970 2.609 2.076 3.416 . 0 0 "[ . 1 . 2]" 1
542 1 41 GLN HA 1 44 LEU MD1 . . 3.810 2.207 1.975 2.529 . 0 0 "[ . 1 . 2]" 1
543 1 41 GLN QB 1 63 ILE MD . . 3.560 2.386 1.983 3.012 . 0 0 "[ . 1 . 2]" 1
544 1 41 GLN QB 1 63 ILE MG . . 3.360 2.196 1.829 2.677 . 0 0 "[ . 1 . 2]" 1
545 1 41 GLN HB2 1 42 CYS H . . 4.250 2.390 2.089 2.666 . 0 0 "[ . 1 . 2]" 1
546 1 41 GLN HB2 1 63 ILE MD . . 4.090 3.733 3.257 4.089 . 0 0 "[ . 1 . 2]" 1
547 1 41 GLN HB2 1 63 ILE MG . . 3.920 2.681 1.977 3.234 . 0 0 "[ . 1 . 2]" 1
548 1 41 GLN HB3 1 42 CYS H . . 4.250 3.311 2.877 3.731 . 0 0 "[ . 1 . 2]" 1
549 1 41 GLN HB3 1 63 ILE MD . . 4.090 2.420 2.001 3.100 . 0 0 "[ . 1 . 2]" 1
550 1 41 GLN HB3 1 63 ILE MG . . 3.920 2.391 1.941 3.412 . 0 0 "[ . 1 . 2]" 1
551 1 41 GLN QE 1 44 LEU QB . . 5.180 4.642 4.021 5.181 0.001 9 0 "[ . 1 . 2]" 1
552 1 41 GLN QE 1 44 LEU HG . . 5.340 5.090 4.783 5.325 . 0 0 "[ . 1 . 2]" 1
553 1 41 GLN HE21 1 44 LEU MD1 . . 4.260 3.540 2.536 4.172 . 0 0 "[ . 1 . 2]" 1
554 1 41 GLN HE22 1 44 LEU MD1 . . 4.260 3.007 2.386 4.176 . 0 0 "[ . 1 . 2]" 1
555 1 41 GLN QG 1 63 ILE MD . . 4.360 3.366 2.499 3.973 . 0 0 "[ . 1 . 2]" 1
556 1 41 GLN QG 1 63 ILE MG . . 3.780 2.349 1.875 2.958 . 0 0 "[ . 1 . 2]" 1
557 1 41 GLN HG2 1 63 ILE MG . . 4.370 3.356 2.125 4.204 . 0 0 "[ . 1 . 2]" 1
558 1 41 GLN HG3 1 63 ILE MG . . 4.370 2.588 1.891 3.523 . 0 0 "[ . 1 . 2]" 1
559 1 42 CYS H 1 42 CYS HB2 . . 4.000 2.477 2.221 3.531 . 0 0 "[ . 1 . 2]" 1
560 1 42 CYS H 1 42 CYS QB . . 3.460 2.274 2.161 2.502 . 0 0 "[ . 1 . 2]" 1
561 1 42 CYS H 1 42 CYS HB3 . . 4.000 2.896 2.248 3.601 . 0 0 "[ . 1 . 2]" 1
562 1 42 CYS H 1 43 PHE H . . 3.840 2.930 2.715 3.070 . 0 0 "[ . 1 . 2]" 1
563 1 42 CYS H 1 63 ILE MG . . 4.480 4.142 3.367 4.469 . 0 0 "[ . 1 . 2]" 1
564 1 42 CYS HA 1 45 TYR H . . 4.530 3.748 3.413 4.115 . 0 0 "[ . 1 . 2]" 1
565 1 42 CYS HA 1 60 PHE QE . . 3.990 2.762 2.032 3.921 . 0 0 "[ . 1 . 2]" 1
566 1 42 CYS QB 1 43 PHE H . . 3.690 2.520 2.220 3.400 . 0 0 "[ . 1 . 2]" 1
567 1 42 CYS QB 1 43 PHE HA . . 4.600 4.033 3.736 4.538 . 0 0 "[ . 1 . 2]" 1
568 1 42 CYS QB 1 60 PHE QE . . 4.680 3.916 2.815 4.487 . 0 0 "[ . 1 . 2]" 1
569 1 42 CYS HB2 1 43 PHE H . . 4.270 3.478 2.328 3.997 . 0 0 "[ . 1 . 2]" 1
570 1 42 CYS HB3 1 43 PHE H . . 4.270 2.782 2.238 3.818 . 0 0 "[ . 1 . 2]" 1
571 1 43 PHE H 1 43 PHE HB2 . . 3.470 2.721 2.544 2.947 . 0 0 "[ . 1 . 2]" 1
572 1 43 PHE H 1 43 PHE HB3 . . 3.470 2.380 2.228 2.547 . 0 0 "[ . 1 . 2]" 1
573 1 43 PHE H 1 43 PHE QD . . 4.330 4.106 3.949 4.195 . 0 0 "[ . 1 . 2]" 1
574 1 43 PHE H 1 44 LEU H . . 3.730 2.738 2.400 3.074 . 0 0 "[ . 1 . 2]" 1
575 1 43 PHE HA 1 43 PHE QD . . 3.880 3.069 2.425 3.300 . 0 0 "[ . 1 . 2]" 1
576 1 43 PHE QB 1 44 LEU H . . 3.600 2.523 2.218 2.856 . 0 0 "[ . 1 . 2]" 1
577 1 43 PHE HB2 1 44 LEU H . . 4.170 3.913 3.714 4.149 . 0 0 "[ . 1 . 2]" 1
578 1 43 PHE HB3 1 44 LEU H . . 4.170 2.556 2.236 2.910 . 0 0 "[ . 1 . 2]" 1
579 1 43 PHE QD 1 44 LEU H . . 4.330 2.800 2.385 3.385 . 0 0 "[ . 1 . 2]" 1
580 1 43 PHE QD 1 44 LEU HA . . 4.580 2.759 2.325 3.837 . 0 0 "[ . 1 . 2]" 1
581 1 43 PHE QD 1 44 LEU MD2 . . 3.750 3.503 3.195 3.702 . 0 0 "[ . 1 . 2]" 1
582 1 43 PHE QD 1 44 LEU HG . . 4.280 2.828 2.101 3.199 . 0 0 "[ . 1 . 2]" 1
583 1 43 PHE QE 1 44 LEU MD2 . . 4.800 3.810 3.034 4.423 . 0 0 "[ . 1 . 2]" 1
584 1 44 LEU H 1 44 LEU HB2 . . 3.910 2.320 2.163 2.543 . 0 0 "[ . 1 . 2]" 1
585 1 44 LEU H 1 44 LEU QB . . 3.220 2.290 2.143 2.495 . 0 0 "[ . 1 . 2]" 1
586 1 44 LEU H 1 44 LEU HB3 . . 3.910 3.552 3.480 3.617 . 0 0 "[ . 1 . 2]" 1
587 1 44 LEU H 1 44 LEU MD1 . . 4.000 3.348 3.109 3.661 . 0 0 "[ . 1 . 2]" 1
588 1 44 LEU H 1 44 LEU MD2 . . 4.400 3.906 3.682 4.088 . 0 0 "[ . 1 . 2]" 1
589 1 44 LEU H 1 44 LEU HG . . 3.670 2.652 2.243 3.022 . 0 0 "[ . 1 . 2]" 1
590 1 44 LEU HA 1 44 LEU MD1 . . 4.130 3.839 3.803 3.910 . 0 0 "[ . 1 . 2]" 1
591 1 44 LEU HA 1 44 LEU MD2 . . 3.060 2.379 2.064 2.579 . 0 0 "[ . 1 . 2]" 1
592 1 44 LEU HA 1 44 LEU HG . . 4.210 2.644 2.532 2.815 . 0 0 "[ . 1 . 2]" 1
593 1 44 LEU QB 1 44 LEU MD1 . . 3.030 2.028 1.944 2.101 . 0 0 "[ . 1 . 2]" 1
594 1 44 LEU QB 1 45 TYR H . . 3.760 2.589 2.326 2.849 . 0 0 "[ . 1 . 2]" 1
595 1 44 LEU HB2 1 45 TYR H . . 4.540 2.698 2.454 2.971 . 0 0 "[ . 1 . 2]" 1
596 1 44 LEU HB3 1 45 TYR H . . 4.540 3.354 2.829 3.777 . 0 0 "[ . 1 . 2]" 1
597 1 44 LEU MD1 1 45 TYR H . . 4.860 4.405 4.095 4.758 . 0 0 "[ . 1 . 2]" 1
598 1 44 LEU MD1 1 45 TYR QD . . 4.700 3.642 3.393 4.390 . 0 0 "[ . 1 . 2]" 1
599 1 44 LEU MD1 1 45 TYR QE . . 4.460 3.128 2.493 3.964 . 0 0 "[ . 1 . 2]" 1
600 1 44 LEU MD2 1 45 TYR H . . 5.350 4.736 4.453 4.952 . 0 0 "[ . 1 . 2]" 1
601 1 44 LEU MD2 1 45 TYR QE . . 3.940 3.804 3.139 3.941 0.001 19 0 "[ . 1 . 2]" 1
602 1 45 TYR H 1 45 TYR HB2 . . 4.100 2.638 2.452 2.963 . 0 0 "[ . 1 . 2]" 1
603 1 45 TYR H 1 45 TYR QB . . 3.480 2.588 2.417 2.882 . 0 0 "[ . 1 . 2]" 1
604 1 45 TYR H 1 45 TYR HB3 . . 4.100 3.760 3.659 3.944 . 0 0 "[ . 1 . 2]" 1
605 1 45 TYR H 1 45 TYR QD . . 3.970 2.542 2.021 3.489 . 0 0 "[ . 1 . 2]" 1
606 1 45 TYR H 1 46 HIS H . . 4.110 3.522 2.717 4.109 . 0 0 "[ . 1 . 2]" 1
607 1 45 TYR HA 1 45 TYR QD . . 3.910 3.057 2.322 3.239 . 0 0 "[ . 1 . 2]" 1
608 1 45 TYR HA 1 50 ASN HD21 . . 3.890 3.455 2.973 3.778 . 0 0 "[ . 1 . 2]" 1
609 1 45 TYR HA 1 50 ASN HD22 . . 3.730 2.670 1.950 3.640 . 0 0 "[ . 1 . 2]" 1
610 1 45 TYR HA 1 56 ALA MB . . 4.760 4.603 4.006 4.757 . 0 0 "[ . 1 . 2]" 1
611 1 45 TYR QD 1 56 ALA HA . . 4.690 3.457 2.207 4.197 . 0 0 "[ . 1 . 2]" 1
612 1 45 TYR QD 1 56 ALA MB . . 3.730 2.598 2.080 3.423 . 0 0 "[ . 1 . 2]" 1
613 1 45 TYR QD 1 63 ILE MD . . 3.740 3.423 2.842 3.741 0.001 15 0 "[ . 1 . 2]" 1
614 1 45 TYR QE 1 56 ALA MB . . 4.110 3.832 3.361 4.105 . 0 0 "[ . 1 . 2]" 1
615 1 45 TYR QE 1 63 ILE MD . . 4.120 3.800 3.421 4.088 . 0 0 "[ . 1 . 2]" 1
616 1 46 HIS H 1 46 HIS HB2 . . 3.790 2.245 2.173 2.436 . 0 0 "[ . 1 . 2]" 1
617 1 46 HIS H 1 46 HIS HB3 . . 3.790 3.194 2.870 3.580 . 0 0 "[ . 1 . 2]" 1
618 1 46 HIS H 1 46 HIS HD2 . . 4.610 4.225 3.529 4.609 . 0 0 "[ . 1 . 2]" 1
619 1 46 HIS H 1 50 ASN HD22 . . 4.680 3.409 2.281 4.628 . 0 0 "[ . 1 . 2]" 1
620 1 46 HIS HA 1 47 PRO QD . . 3.950 2.041 1.987 2.160 . 0 0 "[ . 1 . 2]" 1
621 1 46 HIS HA 1 47 PRO QG . . 4.300 3.948 3.888 4.076 . 0 0 "[ . 1 . 2]" 1
622 1 46 HIS HE1 1 47 PRO QD . . 4.230 3.944 3.418 4.194 . 0 0 "[ . 1 . 2]" 1
623 1 46 HIS HE1 1 47 PRO QG . . 5.500 4.623 3.421 5.502 0.002 3 0 "[ . 1 . 2]" 1
624 1 47 PRO HA 1 50 ASN HB2 . . 4.210 3.706 2.576 4.207 . 0 0 "[ . 1 . 2]" 1
625 1 47 PRO HA 1 50 ASN HD21 . . 4.510 4.219 3.747 4.509 . 0 0 "[ . 1 . 2]" 1
626 1 48 ASP QB 1 49 ARG H . . 4.150 2.527 2.067 3.235 . 0 0 "[ . 1 . 2]" 1
627 1 48 ASP QB 1 50 ASN H . . 5.150 4.857 4.338 5.149 . 0 0 "[ . 1 . 2]" 1
628 1 49 ARG H 1 49 ARG HB2 . . 4.090 2.374 2.173 3.563 . 0 0 "[ . 1 . 2]" 1
629 1 49 ARG H 1 49 ARG QB . . 3.590 2.299 2.122 2.704 . 0 0 "[ . 1 . 2]" 1
630 1 49 ARG H 1 49 ARG HB3 . . 4.090 3.450 2.802 3.611 . 0 0 "[ . 1 . 2]" 1
631 1 49 ARG H 1 49 ARG HG2 . . 4.610 3.314 1.994 4.313 . 0 0 "[ . 1 . 2]" 1
632 1 49 ARG H 1 49 ARG QG . . 3.840 2.793 1.941 3.824 . 0 0 "[ . 1 . 2]" 1
633 1 49 ARG H 1 49 ARG HG3 . . 4.610 3.368 2.431 4.421 . 0 0 "[ . 1 . 2]" 1
634 1 49 ARG H 1 50 ASN H . . 3.770 2.829 2.198 3.307 . 0 0 "[ . 1 . 2]" 1
635 1 49 ARG HA 1 49 ARG QG . . 3.730 2.433 2.167 3.292 . 0 0 "[ . 1 . 2]" 1
636 1 49 ARG QB 1 50 ASN HD21 . . 3.970 3.007 2.595 3.541 . 0 0 "[ . 1 . 2]" 1
637 1 49 ARG QB 1 50 ASN HD22 . . 4.080 3.289 2.512 3.932 . 0 0 "[ . 1 . 2]" 1
638 1 49 ARG HB2 1 50 ASN HD21 . . 4.520 3.256 2.640 4.169 . 0 0 "[ . 1 . 2]" 1
639 1 49 ARG HB2 1 50 ASN HD22 . . 4.650 3.664 2.626 4.454 . 0 0 "[ . 1 . 2]" 1
640 1 49 ARG HB3 1 50 ASN HD21 . . 4.520 3.853 2.778 4.519 . 0 0 "[ . 1 . 2]" 1
641 1 49 ARG HB3 1 50 ASN HD22 . . 4.650 3.946 2.955 4.399 . 0 0 "[ . 1 . 2]" 1
642 1 50 ASN HB2 1 53 SER QB . . 4.420 3.687 3.073 4.368 . 0 0 "[ . 1 . 2]" 1
643 1 50 ASN HB2 1 56 ALA MB . . 3.890 3.515 2.452 3.891 0.001 9 0 "[ . 1 . 2]" 1
644 1 50 ASN HB3 1 53 SER H . . 4.610 3.566 2.317 4.598 . 0 0 "[ . 1 . 2]" 1
645 1 50 ASN HB3 1 53 SER HB2 . . 4.360 2.775 2.037 3.967 . 0 0 "[ . 1 . 2]" 1
646 1 50 ASN HB3 1 53 SER HB3 . . 4.360 3.204 2.244 4.332 . 0 0 "[ . 1 . 2]" 1
647 1 50 ASN HB3 1 56 ALA MB . . 3.760 3.065 1.927 3.710 . 0 0 "[ . 1 . 2]" 1
648 1 50 ASN HD21 1 56 ALA MB . . 4.670 4.120 3.010 4.662 . 0 0 "[ . 1 . 2]" 1
649 1 52 GLY H 1 53 SER H . . 4.360 3.052 2.362 3.657 . 0 0 "[ . 1 . 2]" 1
650 1 53 SER H 1 53 SER HB2 . . 3.580 2.773 2.199 3.586 0.006 10 0 "[ . 1 . 2]" 1
651 1 53 SER H 1 53 SER QB . . 3.080 2.435 2.177 2.866 . 0 0 "[ . 1 . 2]" 1
652 1 53 SER H 1 53 SER HB3 . . 3.580 3.116 2.421 3.578 . 0 0 "[ . 1 . 2]" 1
653 1 53 SER H 1 56 ALA MB . . 4.480 4.071 3.239 4.486 0.006 18 0 "[ . 1 . 2]" 1
654 1 53 SER HA 1 54 ALA MB . . 4.320 3.944 3.821 4.047 . 0 0 "[ . 1 . 2]" 1
655 1 53 SER HA 1 55 GLU H . . 4.620 4.283 3.885 4.581 . 0 0 "[ . 1 . 2]" 1
656 1 53 SER HA 1 56 ALA H . . 5.100 4.753 4.346 5.102 0.002 18 0 "[ . 1 . 2]" 1
657 1 53 SER QB 1 56 ALA H . . 4.370 2.680 2.193 3.303 . 0 0 "[ . 1 . 2]" 1
658 1 53 SER QB 1 56 ALA MB . . 3.280 2.090 1.762 2.844 . 0 0 "[ . 1 . 2]" 1
659 1 53 SER QB 1 57 ALA H . . 5.070 3.518 2.715 4.052 . 0 0 "[ . 1 . 2]" 1
660 1 53 SER HB2 1 56 ALA MB . . 3.820 2.651 1.987 3.516 . 0 0 "[ . 1 . 2]" 1
661 1 53 SER HB3 1 56 ALA MB . . 3.820 2.417 1.905 3.244 . 0 0 "[ . 1 . 2]" 1
662 1 54 ALA H 1 55 GLU H . . 4.690 2.479 1.981 2.892 . 0 0 "[ . 1 . 2]" 1
663 1 54 ALA MB 1 55 GLU H . . 3.510 2.489 2.208 2.768 . 0 0 "[ . 1 . 2]" 1
664 1 54 ALA MB 1 55 GLU QG . . 4.130 3.388 2.819 4.129 . 0 0 "[ . 1 . 2]" 1
665 1 55 GLU H 1 55 GLU HB2 . . 3.610 2.448 2.240 3.590 . 0 0 "[ . 1 . 2]" 1
666 1 55 GLU H 1 55 GLU QB . . 3.140 2.366 2.216 2.588 . 0 0 "[ . 1 . 2]" 1
667 1 55 GLU H 1 55 GLU HB3 . . 3.610 3.534 2.654 3.615 0.005 18 0 "[ . 1 . 2]" 1
668 1 55 GLU H 1 55 GLU QG . . 3.870 2.610 1.889 3.332 . 0 0 "[ . 1 . 2]" 1
669 1 55 GLU H 1 56 ALA H . . 3.660 2.716 2.120 3.091 . 0 0 "[ . 1 . 2]" 1
670 1 55 GLU H 1 57 ALA H . . 4.760 4.123 3.568 4.420 . 0 0 "[ . 1 . 2]" 1
671 1 55 GLU HA 1 55 GLU QG . . 3.300 2.531 2.170 3.323 0.023 20 0 "[ . 1 . 2]" 1
672 1 55 GLU QB 1 57 ALA H . . 5.340 4.588 4.271 4.887 . 0 0 "[ . 1 . 2]" 1
673 1 55 GLU HB2 1 56 ALA H . . 3.790 2.535 2.099 3.187 . 0 0 "[ . 1 . 2]" 1
674 1 55 GLU HB3 1 56 ALA H . . 3.790 3.349 2.864 3.790 0.000 20 0 "[ . 1 . 2]" 1
675 1 55 GLU QG 1 56 ALA H . . 4.300 4.047 1.803 4.304 0.004 18 0 "[ . 1 . 2]" 1
676 1 56 ALA H 1 56 ALA MB . . 3.050 2.127 2.030 2.292 . 0 0 "[ . 1 . 2]" 1
677 1 56 ALA H 1 57 ALA H . . 3.500 2.811 2.492 3.108 . 0 0 "[ . 1 . 2]" 1
678 1 56 ALA HA 1 59 ARG H . . 4.030 3.789 3.318 4.028 . 0 0 "[ . 1 . 2]" 1
679 1 56 ALA HA 1 59 ARG HB2 . . 4.540 3.528 2.888 4.110 . 0 0 "[ . 1 . 2]" 1
680 1 56 ALA HA 1 59 ARG QB . . 3.950 2.799 2.196 3.232 . 0 0 "[ . 1 . 2]" 1
681 1 56 ALA HA 1 59 ARG HB3 . . 4.540 3.064 2.221 4.470 . 0 0 "[ . 1 . 2]" 1
682 1 56 ALA MB 1 57 ALA H . . 3.520 2.650 2.336 3.515 . 0 0 "[ . 1 . 2]" 1
683 1 57 ALA H 1 57 ALA MB . . 2.980 2.159 2.044 2.250 . 0 0 "[ . 1 . 2]" 1
684 1 57 ALA H 1 58 GLU H . . 3.460 3.035 2.534 3.254 . 0 0 "[ . 1 . 2]" 1
685 1 57 ALA H 1 58 GLU QB . . 5.210 4.935 4.693 5.206 . 0 0 "[ . 1 . 2]" 1
686 1 57 ALA HA 1 60 PHE H . . 4.640 3.882 3.300 4.193 . 0 0 "[ . 1 . 2]" 1
687 1 57 ALA HA 1 60 PHE HB2 . . 4.300 3.444 2.717 4.110 . 0 0 "[ . 1 . 2]" 1
688 1 57 ALA HA 1 60 PHE QB . . 3.770 2.927 2.485 3.260 . 0 0 "[ . 1 . 2]" 1
689 1 57 ALA HA 1 60 PHE HB3 . . 4.300 3.259 2.616 4.229 . 0 0 "[ . 1 . 2]" 1
690 1 57 ALA HA 1 61 THR H . . 4.610 4.300 3.920 4.583 . 0 0 "[ . 1 . 2]" 1
691 1 57 ALA MB 1 58 GLU H . . 3.320 2.197 1.924 2.417 . 0 0 "[ . 1 . 2]" 1
692 1 57 ALA MB 1 58 GLU QG . . 4.540 3.460 3.048 4.388 . 0 0 "[ . 1 . 2]" 1
693 1 57 ALA MB 1 61 THR H . . 5.030 4.797 4.481 4.986 . 0 0 "[ . 1 . 2]" 1
694 1 58 GLU H 1 58 GLU QB . . 3.050 2.459 2.260 2.635 . 0 0 "[ . 1 . 2]" 1
695 1 58 GLU H 1 58 GLU HG2 . . 4.180 2.317 1.907 3.677 . 0 0 "[ . 1 . 2]" 1
696 1 58 GLU H 1 58 GLU HG3 . . 4.180 3.471 2.220 3.911 . 0 0 "[ . 1 . 2]" 1
697 1 58 GLU H 1 59 ARG H . . 3.530 2.981 2.577 3.204 . 0 0 "[ . 1 . 2]" 1
698 1 58 GLU HA 1 58 GLU HG2 . . 3.960 3.183 2.451 3.792 . 0 0 "[ . 1 . 2]" 1
699 1 58 GLU HA 1 58 GLU QG . . 3.430 2.939 2.401 3.339 . 0 0 "[ . 1 . 2]" 1
700 1 58 GLU HA 1 58 GLU HG3 . . 3.960 3.660 2.640 3.872 . 0 0 "[ . 1 . 2]" 1
701 1 58 GLU HA 1 61 THR H . . 4.070 3.773 3.525 4.071 0.001 5 0 "[ . 1 . 2]" 1
702 1 58 GLU HA 1 61 THR HB . . 3.780 3.201 2.832 3.782 0.002 9 0 "[ . 1 . 2]" 1
703 1 58 GLU HA 1 61 THR MG . . 4.410 4.159 2.663 4.409 . 0 0 "[ . 1 . 2]" 1
704 1 58 GLU HA 1 62 ARG H . . 4.590 4.438 4.083 4.578 . 0 0 "[ . 1 . 2]" 1
705 1 58 GLU QB 1 59 ARG H . . 3.510 2.575 2.076 3.509 . 0 0 "[ . 1 . 2]" 1
706 1 58 GLU QG 1 59 ARG H . . 4.210 3.400 1.885 4.185 . 0 0 "[ . 1 . 2]" 1
707 1 58 GLU HG2 1 59 ARG H . . 4.840 3.804 2.119 4.619 . 0 0 "[ . 1 . 2]" 1
708 1 58 GLU HG3 1 59 ARG H . . 4.840 3.913 2.071 4.820 . 0 0 "[ . 1 . 2]" 1
709 1 59 ARG H 1 59 ARG HB2 . . 3.450 2.349 2.171 2.801 . 0 0 "[ . 1 . 2]" 1
710 1 59 ARG H 1 59 ARG HB3 . . 3.450 2.787 2.330 3.479 0.029 5 0 "[ . 1 . 2]" 1
711 1 59 ARG H 1 59 ARG HG2 . . 4.860 4.466 3.040 4.650 . 0 0 "[ . 1 . 2]" 1
712 1 59 ARG H 1 59 ARG QG . . 4.140 3.910 2.933 4.068 . 0 0 "[ . 1 . 2]" 1
713 1 59 ARG H 1 59 ARG HG3 . . 4.860 4.353 3.857 4.560 . 0 0 "[ . 1 . 2]" 1
714 1 59 ARG H 1 60 PHE H . . 3.780 2.943 2.411 3.200 . 0 0 "[ . 1 . 2]" 1
715 1 59 ARG H 1 61 THR H . . 4.550 4.318 3.837 4.520 . 0 0 "[ . 1 . 2]" 1
716 1 59 ARG HA 1 59 ARG QD . . 4.660 3.071 1.986 4.161 . 0 0 "[ . 1 . 2]" 1
717 1 59 ARG HA 1 59 ARG QG . . 3.690 2.517 2.206 2.925 . 0 0 "[ . 1 . 2]" 1
718 1 59 ARG HA 1 62 ARG H . . 3.950 3.458 3.256 3.756 . 0 0 "[ . 1 . 2]" 1
719 1 59 ARG HA 1 62 ARG HB2 . . 4.310 2.691 2.515 2.828 . 0 0 "[ . 1 . 2]" 1
720 1 59 ARG HA 1 62 ARG HB3 . . 4.310 4.264 4.114 4.313 0.003 15 0 "[ . 1 . 2]" 1
721 1 59 ARG HA 1 62 ARG QD . . 4.340 3.649 2.433 4.303 . 0 0 "[ . 1 . 2]" 1
722 1 59 ARG QB 1 60 PHE H . . 3.950 2.242 1.886 2.882 . 0 0 "[ . 1 . 2]" 1
723 1 59 ARG HB2 1 60 PHE H . . 4.700 3.517 2.401 4.140 . 0 0 "[ . 1 . 2]" 1
724 1 59 ARG HB3 1 60 PHE H . . 4.700 2.288 1.896 2.940 . 0 0 "[ . 1 . 2]" 1
725 1 59 ARG QD 1 63 ILE MD . . 3.970 3.322 1.862 3.928 . 0 0 "[ . 1 . 2]" 1
726 1 59 ARG HD2 1 63 ILE MD . . 4.670 3.775 2.239 4.550 . 0 0 "[ . 1 . 2]" 1
727 1 59 ARG HD3 1 63 ILE MD . . 4.670 3.864 1.990 4.607 . 0 0 "[ . 1 . 2]" 1
728 1 59 ARG QG 1 63 ILE MD . . 3.640 2.287 1.883 3.637 . 0 0 "[ . 1 . 2]" 1
729 1 59 ARG QG 1 63 ILE QG . . 4.060 2.687 2.106 4.046 . 0 0 "[ . 1 . 2]" 1
730 1 59 ARG HG2 1 63 ILE MD . . 4.220 2.737 1.980 4.219 . 0 0 "[ . 1 . 2]" 1
731 1 59 ARG HG3 1 63 ILE MD . . 4.220 2.891 1.913 4.149 . 0 0 "[ . 1 . 2]" 1
732 1 60 PHE H 1 60 PHE HB2 . . 3.890 2.317 2.183 2.626 . 0 0 "[ . 1 . 2]" 1
733 1 60 PHE H 1 60 PHE HB3 . . 3.890 2.872 2.448 3.577 . 0 0 "[ . 1 . 2]" 1
734 1 60 PHE H 1 61 THR H . . 3.780 2.935 2.636 3.101 . 0 0 "[ . 1 . 2]" 1
735 1 60 PHE HA 1 60 PHE QD . . 3.850 2.349 2.148 2.688 . 0 0 "[ . 1 . 2]" 1
736 1 60 PHE HA 1 63 ILE H . . 4.430 3.746 3.259 4.059 . 0 0 "[ . 1 . 2]" 1
737 1 60 PHE HA 1 63 ILE HB . . 3.910 2.919 2.504 3.317 . 0 0 "[ . 1 . 2]" 1
738 1 60 PHE HA 1 63 ILE MD . . 3.400 2.099 1.991 2.271 . 0 0 "[ . 1 . 2]" 1
739 1 60 PHE HA 1 63 ILE HG12 . . 4.810 4.614 4.191 4.810 0.000 5 0 "[ . 1 . 2]" 1
740 1 60 PHE HA 1 63 ILE QG . . 3.990 3.426 3.005 3.946 . 0 0 "[ . 1 . 2]" 1
741 1 60 PHE HA 1 63 ILE HG13 . . 4.810 3.565 3.055 4.813 0.003 15 0 "[ . 1 . 2]" 1
742 1 60 PHE QB 1 61 THR H . . 3.540 2.451 2.155 2.711 . 0 0 "[ . 1 . 2]" 1
743 1 60 PHE HB2 1 61 THR H . . 4.220 3.606 2.612 3.936 . 0 0 "[ . 1 . 2]" 1
744 1 60 PHE HB3 1 61 THR H . . 4.220 2.526 2.171 3.235 . 0 0 "[ . 1 . 2]" 1
745 1 60 PHE QD 1 61 THR H . . 4.700 3.979 3.104 4.426 . 0 0 "[ . 1 . 2]" 1
746 1 60 PHE QD 1 63 ILE MD . . 4.330 2.965 2.520 3.450 . 0 0 "[ . 1 . 2]" 1
747 1 61 THR H 1 61 THR HB . . 3.280 2.534 2.286 2.674 . 0 0 "[ . 1 . 2]" 1
748 1 61 THR H 1 61 THR MG . . 3.850 3.645 2.543 3.771 . 0 0 "[ . 1 . 2]" 1
749 1 61 THR H 1 62 ARG H . . 3.550 2.778 2.664 3.043 . 0 0 "[ . 1 . 2]" 1
750 1 61 THR H 1 62 ARG QB . . 5.240 4.578 4.412 4.698 . 0 0 "[ . 1 . 2]" 1
751 1 61 THR HA 1 61 THR MG . . 3.280 2.506 2.296 3.171 . 0 0 "[ . 1 . 2]" 1
752 1 61 THR HB 1 62 ARG H . . 3.650 2.589 2.099 3.661 0.011 9 0 "[ . 1 . 2]" 1
753 1 61 THR MG 1 62 ARG H . . 4.040 3.205 1.862 3.614 . 0 0 "[ . 1 . 2]" 1
754 1 61 THR MG 1 62 ARG HA . . 4.450 3.379 2.806 3.647 . 0 0 "[ . 1 . 2]" 1
755 1 61 THR MG 1 65 GLN H . . 4.910 4.448 3.946 4.718 . 0 0 "[ . 1 . 2]" 1
756 1 61 THR MG 1 65 GLN HE21 . . 4.390 2.555 2.071 3.021 . 0 0 "[ . 1 . 2]" 1
757 1 61 THR MG 1 65 GLN HE22 . . 4.390 3.668 3.121 4.131 . 0 0 "[ . 1 . 2]" 1
758 1 61 THR MG 1 65 GLN HG2 . . 4.370 3.810 3.251 4.322 . 0 0 "[ . 1 . 2]" 1
759 1 61 THR MG 1 65 GLN QG . . 3.770 3.162 2.617 3.401 . 0 0 "[ . 1 . 2]" 1
760 1 61 THR MG 1 65 GLN HG3 . . 4.370 3.431 2.759 4.107 . 0 0 "[ . 1 . 2]" 1
761 1 62 ARG H 1 62 ARG HB2 . . 3.750 2.273 2.179 2.397 . 0 0 "[ . 1 . 2]" 1
762 1 62 ARG H 1 62 ARG QB . . 3.150 2.247 2.158 2.363 . 0 0 "[ . 1 . 2]" 1
763 1 62 ARG H 1 62 ARG HB3 . . 3.750 3.535 3.484 3.577 . 0 0 "[ . 1 . 2]" 1
764 1 62 ARG H 1 62 ARG QD . . 4.470 4.198 3.772 4.456 . 0 0 "[ . 1 . 2]" 1
765 1 62 ARG H 1 62 ARG HG2 . . 3.820 3.647 3.295 3.818 . 0 0 "[ . 1 . 2]" 1
766 1 62 ARG H 1 62 ARG QG . . 3.340 2.657 2.348 2.982 . 0 0 "[ . 1 . 2]" 1
767 1 62 ARG H 1 62 ARG HG3 . . 3.820 2.738 2.383 3.119 . 0 0 "[ . 1 . 2]" 1
768 1 62 ARG H 1 63 ILE H . . 3.830 2.780 2.510 3.029 . 0 0 "[ . 1 . 2]" 1
769 1 62 ARG HA 1 62 ARG QD . . 4.030 3.878 3.662 4.031 0.001 7 0 "[ . 1 . 2]" 1
770 1 62 ARG HA 1 62 ARG HG2 . . 3.950 2.317 2.165 2.577 . 0 0 "[ . 1 . 2]" 1
771 1 62 ARG HA 1 62 ARG QG . . 3.330 2.238 2.128 2.390 . 0 0 "[ . 1 . 2]" 1
772 1 62 ARG HA 1 62 ARG HG3 . . 3.950 3.027 2.777 3.278 . 0 0 "[ . 1 . 2]" 1
773 1 62 ARG HA 1 65 GLN H . . 4.310 3.475 3.314 3.770 . 0 0 "[ . 1 . 2]" 1
774 1 62 ARG HA 1 65 GLN HB2 . . 3.860 3.258 2.898 3.558 . 0 0 "[ . 1 . 2]" 1
775 1 62 ARG HA 1 65 GLN HB3 . . 4.670 4.497 4.263 4.672 0.002 15 0 "[ . 1 . 2]" 1
776 1 62 ARG HA 1 65 GLN HE21 . . 4.910 2.995 1.920 3.774 . 0 0 "[ . 1 . 2]" 1
777 1 62 ARG HA 1 65 GLN QE . . 4.280 2.911 1.911 3.560 . 0 0 "[ . 1 . 2]" 1
778 1 62 ARG HA 1 65 GLN HE22 . . 4.910 4.162 3.497 4.910 0.000 2 0 "[ . 1 . 2]" 1
779 1 62 ARG QB 1 62 ARG QD . . 3.130 2.133 2.036 2.249 . 0 0 "[ . 1 . 2]" 1
780 1 62 ARG QB 1 63 ILE H . . 4.430 2.444 2.319 2.606 . 0 0 "[ . 1 . 2]" 1
781 1 63 ILE H 1 63 ILE HB . . 3.740 2.606 2.340 2.706 . 0 0 "[ . 1 . 2]" 1
782 1 63 ILE H 1 63 ILE MD . . 4.060 3.298 1.874 3.542 . 0 0 "[ . 1 . 2]" 1
783 1 63 ILE H 1 63 ILE HG12 . . 4.360 3.417 3.154 4.047 . 0 0 "[ . 1 . 2]" 1
784 1 63 ILE H 1 63 ILE QG . . 3.670 2.034 1.888 3.159 . 0 0 "[ . 1 . 2]" 1
785 1 63 ILE H 1 63 ILE HG13 . . 4.360 2.054 1.900 3.297 . 0 0 "[ . 1 . 2]" 1
786 1 63 ILE H 1 63 ILE MG . . 3.940 3.770 3.709 3.783 . 0 0 "[ . 1 . 2]" 1
787 1 63 ILE H 1 64 SER H . . 3.850 3.006 2.797 3.139 . 0 0 "[ . 1 . 2]" 1
788 1 63 ILE HA 1 63 ILE MD . . 4.090 3.818 3.146 3.879 . 0 0 "[ . 1 . 2]" 1
789 1 63 ILE HA 1 63 ILE HG12 . . 4.040 2.665 2.517 3.413 . 0 0 "[ . 1 . 2]" 1
790 1 63 ILE HA 1 63 ILE HG13 . . 4.040 2.805 2.128 2.996 . 0 0 "[ . 1 . 2]" 1
791 1 63 ILE HA 1 63 ILE MG . . 3.490 2.422 2.323 2.549 . 0 0 "[ . 1 . 2]" 1
792 1 63 ILE HA 1 66 ALA H . . 4.390 3.608 3.418 3.769 . 0 0 "[ . 1 . 2]" 1
793 1 63 ILE HA 1 66 ALA MB . . 3.560 3.016 2.893 3.331 . 0 0 "[ . 1 . 2]" 1
794 1 63 ILE HB 1 63 ILE MD . . 3.410 2.324 2.195 2.449 . 0 0 "[ . 1 . 2]" 1
795 1 63 ILE HB 1 64 SER H . . 3.810 2.387 2.245 2.582 . 0 0 "[ . 1 . 2]" 1
796 1 63 ILE MD 1 64 SER H . . 4.400 4.283 3.970 4.398 . 0 0 "[ . 1 . 2]" 1
797 1 63 ILE QG 1 63 ILE MG . . 3.330 2.211 2.012 2.296 . 0 0 "[ . 1 . 2]" 1
798 1 63 ILE QG 1 64 SER H . . 4.280 4.016 3.921 4.257 . 0 0 "[ . 1 . 2]" 1
799 1 63 ILE MG 1 64 SER H . . 4.100 3.159 2.504 3.385 . 0 0 "[ . 1 . 2]" 1
800 1 64 SER H 1 64 SER HB2 . . 3.850 2.763 2.188 3.606 . 0 0 "[ . 1 . 2]" 1
801 1 64 SER H 1 64 SER QB . . 3.280 2.239 2.135 2.457 . 0 0 "[ . 1 . 2]" 1
802 1 64 SER H 1 64 SER HB3 . . 3.850 2.784 2.255 3.538 . 0 0 "[ . 1 . 2]" 1
803 1 64 SER HA 1 67 TYR H . . 4.360 3.430 3.177 3.628 . 0 0 "[ . 1 . 2]" 1
804 1 64 SER HA 1 67 TYR QB . . 4.580 2.989 2.656 3.219 . 0 0 "[ . 1 . 2]" 1
805 1 64 SER QB 1 65 GLN H . . 3.920 2.782 2.344 3.405 . 0 0 "[ . 1 . 2]" 1
806 1 65 GLN H 1 65 GLN HB2 . . 3.410 2.683 2.594 2.815 . 0 0 "[ . 1 . 2]" 1
807 1 65 GLN H 1 65 GLN HB3 . . 3.600 3.584 3.561 3.599 . 0 0 "[ . 1 . 2]" 1
808 1 65 GLN H 1 65 GLN HG2 . . 3.900 2.564 1.900 2.937 . 0 0 "[ . 1 . 2]" 1
809 1 65 GLN H 1 65 GLN QG . . 3.420 2.083 1.891 2.197 . 0 0 "[ . 1 . 2]" 1
810 1 65 GLN H 1 65 GLN HG3 . . 3.900 2.408 2.108 3.481 . 0 0 "[ . 1 . 2]" 1
811 1 65 GLN H 1 66 ALA H . . 3.520 2.894 2.758 3.057 . 0 0 "[ . 1 . 2]" 1
812 1 65 GLN H 1 66 ALA MB . . 4.800 4.465 4.373 4.540 . 0 0 "[ . 1 . 2]" 1
813 1 65 GLN H 1 68 VAL MG2 . . 4.930 4.044 3.834 4.238 . 0 0 "[ . 1 . 2]" 1
814 1 65 GLN HA 1 65 GLN HG2 . . 3.940 2.605 2.422 3.399 . 0 0 "[ . 1 . 2]" 1
815 1 65 GLN HA 1 65 GLN HG3 . . 3.940 3.517 3.333 3.795 . 0 0 "[ . 1 . 2]" 1
816 1 65 GLN HA 1 68 VAL H . . 4.010 3.955 3.734 4.010 . 0 0 "[ . 1 . 2]" 1
817 1 65 GLN HA 1 68 VAL HB . . 3.910 3.028 2.679 3.608 . 0 0 "[ . 1 . 2]" 1
818 1 65 GLN HA 1 68 VAL MG1 . . 4.340 4.057 3.815 4.310 . 0 0 "[ . 1 . 2]" 1
819 1 65 GLN HA 1 68 VAL MG2 . . 3.430 2.103 1.994 2.406 . 0 0 "[ . 1 . 2]" 1
820 1 65 GLN HB2 1 65 GLN QE . . 4.550 3.946 3.243 4.358 . 0 0 "[ . 1 . 2]" 1
821 1 65 GLN HB2 1 66 ALA H . . 3.610 2.437 2.301 2.607 . 0 0 "[ . 1 . 2]" 1
822 1 65 GLN HB2 1 67 TYR H . . 5.500 4.800 4.667 4.937 . 0 0 "[ . 1 . 2]" 1
823 1 65 GLN HB3 1 66 ALA H . . 4.010 3.622 3.477 3.792 . 0 0 "[ . 1 . 2]" 1
824 1 65 GLN HE22 1 65 GLN HG2 . . 4.090 3.705 3.455 3.992 . 0 0 "[ . 1 . 2]" 1
825 1 65 GLN HE22 1 65 GLN HG3 . . 4.090 3.561 3.441 3.843 . 0 0 "[ . 1 . 2]" 1
826 1 65 GLN QG 1 66 ALA H . . 4.060 3.821 3.688 3.948 . 0 0 "[ . 1 . 2]" 1
827 1 65 GLN HG2 1 66 ALA H . . 4.920 4.551 3.874 4.737 . 0 0 "[ . 1 . 2]" 1
828 1 65 GLN HG3 1 66 ALA H . . 4.920 4.182 3.911 4.836 . 0 0 "[ . 1 . 2]" 1
829 1 66 ALA H 1 66 ALA MB . . 3.210 2.196 2.130 2.230 . 0 0 "[ . 1 . 2]" 1
830 1 66 ALA H 1 67 TYR H . . 3.630 2.747 2.619 2.889 . 0 0 "[ . 1 . 2]" 1
831 1 66 ALA H 1 68 VAL H . . 5.360 4.270 4.001 4.415 . 0 0 "[ . 1 . 2]" 1
832 1 66 ALA HA 1 68 VAL H . . 4.730 3.480 3.386 3.557 . 0 0 "[ . 1 . 2]" 1
833 1 66 ALA HA 1 69 VAL H . . 4.490 4.064 3.886 4.179 . 0 0 "[ . 1 . 2]" 1
834 1 66 ALA HA 1 69 VAL HB . . 4.540 4.128 3.758 4.378 . 0 0 "[ . 1 . 2]" 1
835 1 66 ALA HA 1 69 VAL MG2 . . 4.590 4.262 3.910 4.483 . 0 0 "[ . 1 . 2]" 1
836 1 66 ALA HA 1 70 LEU H . . 4.620 4.163 3.772 4.394 . 0 0 "[ . 1 . 2]" 1
837 1 66 ALA MB 1 67 TYR H . . 3.560 2.770 2.616 2.884 . 0 0 "[ . 1 . 2]" 1
838 1 66 ALA MB 1 67 TYR HA . . 4.660 3.908 3.852 3.943 . 0 0 "[ . 1 . 2]" 1
839 1 66 ALA MB 1 70 LEU MD1 . . 3.960 2.750 2.238 3.103 . 0 0 "[ . 1 . 2]" 1
840 1 67 TYR H 1 67 TYR HB2 . . 3.500 2.497 2.316 2.596 . 0 0 "[ . 1 . 2]" 1
841 1 67 TYR H 1 67 TYR HB3 . . 3.500 2.707 2.543 2.803 . 0 0 "[ . 1 . 2]" 1
842 1 67 TYR H 1 67 TYR QD . . 4.240 4.176 4.057 4.219 . 0 0 "[ . 1 . 2]" 1
843 1 67 TYR H 1 68 VAL H . . 3.670 2.780 2.592 2.909 . 0 0 "[ . 1 . 2]" 1
844 1 67 TYR H 1 68 VAL HB . . 5.500 4.684 4.477 5.008 . 0 0 "[ . 1 . 2]" 1
845 1 67 TYR H 1 68 VAL MG2 . . 5.140 3.488 3.227 3.636 . 0 0 "[ . 1 . 2]" 1
846 1 67 TYR HA 1 67 TYR QD . . 3.490 2.087 1.997 2.241 . 0 0 "[ . 1 . 2]" 1
847 1 67 TYR HA 1 67 TYR QE . . 4.550 4.252 4.179 4.318 . 0 0 "[ . 1 . 2]" 1
848 1 67 TYR HA 1 68 VAL MG2 . . 4.510 4.437 4.322 4.510 . 0 0 "[ . 1 . 2]" 1
849 1 67 TYR HA 1 70 LEU H . . 4.500 4.170 3.982 4.468 . 0 0 "[ . 1 . 2]" 1
850 1 67 TYR HA 1 70 LEU QB . . 4.780 3.702 3.337 3.903 . 0 0 "[ . 1 . 2]" 1
851 1 67 TYR HA 1 71 GLY H . . 4.450 3.410 3.019 3.683 . 0 0 "[ . 1 . 2]" 1
852 1 67 TYR QB 1 68 VAL H . . 3.920 3.681 3.415 3.783 . 0 0 "[ . 1 . 2]" 1
853 1 67 TYR HB2 1 68 VAL H . . 4.490 4.432 4.196 4.489 . 0 0 "[ . 1 . 2]" 1
854 1 67 TYR HB3 1 68 VAL H . . 4.490 3.936 3.615 4.076 . 0 0 "[ . 1 . 2]" 1
855 1 67 TYR QD 1 68 VAL H . . 5.120 4.782 4.690 4.859 . 0 0 "[ . 1 . 2]" 1
856 1 67 TYR QD 1 71 GLY H . . 4.620 4.576 4.484 4.618 . 0 0 "[ . 1 . 2]" 1
857 1 67 TYR QE 1 71 GLY HA2 . . 4.600 3.752 3.383 4.025 . 0 0 "[ . 1 . 2]" 1
858 1 67 TYR QE 1 71 GLY HA3 . . 4.850 4.724 4.385 4.845 . 0 0 "[ . 1 . 2]" 1
859 1 68 VAL H 1 68 VAL HB . . 3.340 2.633 2.572 2.696 . 0 0 "[ . 1 . 2]" 1
860 1 68 VAL H 1 68 VAL MG1 . . 3.880 3.839 3.820 3.866 . 0 0 "[ . 1 . 2]" 1
861 1 68 VAL H 1 68 VAL MG2 . . 3.180 2.751 2.204 3.047 . 0 0 "[ . 1 . 2]" 1
862 1 68 VAL H 1 69 VAL H . . 3.690 2.397 2.185 2.642 . 0 0 "[ . 1 . 2]" 1
863 1 68 VAL H 1 71 GLY H . . 5.500 3.340 3.201 3.542 . 0 0 "[ . 1 . 2]" 1
864 1 68 VAL H 1 71 GLY HA2 . . 5.360 5.348 5.286 5.360 0.000 7 0 "[ . 1 . 2]" 1
865 1 68 VAL H 1 71 GLY HA3 . . 4.780 4.646 4.507 4.767 . 0 0 "[ . 1 . 2]" 1
866 1 68 VAL HA 1 68 VAL MG1 . . 3.260 2.393 2.227 2.456 . 0 0 "[ . 1 . 2]" 1
867 1 68 VAL HA 1 68 VAL MG2 . . 3.070 2.389 2.227 2.530 . 0 0 "[ . 1 . 2]" 1
868 1 68 VAL HB 1 69 VAL H . . 3.840 2.126 1.901 2.345 . 0 0 "[ . 1 . 2]" 1
869 1 68 VAL HB 1 69 VAL MG2 . . 4.010 3.091 2.942 3.212 . 0 0 "[ . 1 . 2]" 1
870 1 68 VAL MG1 1 69 VAL H . . 4.140 2.998 2.761 3.248 . 0 0 "[ . 1 . 2]" 1
871 1 68 VAL MG1 1 69 VAL HA . . 4.340 3.289 3.115 3.487 . 0 0 "[ . 1 . 2]" 1
872 1 68 VAL MG2 1 69 VAL H . . 4.220 3.660 3.477 3.775 . 0 0 "[ . 1 . 2]" 1
873 1 69 VAL H 1 69 VAL HB . . 3.590 2.566 2.463 2.713 . 0 0 "[ . 1 . 2]" 1
874 1 69 VAL H 1 69 VAL MG1 . . 4.150 3.763 3.751 3.767 . 0 0 "[ . 1 . 2]" 1
875 1 69 VAL H 1 69 VAL MG2 . . 3.350 2.254 2.063 2.438 . 0 0 "[ . 1 . 2]" 1
876 1 69 VAL H 1 70 LEU H . . 3.860 2.647 2.441 2.900 . 0 0 "[ . 1 . 2]" 1
877 1 69 VAL HA 1 69 VAL MG1 . . 3.550 2.341 2.212 2.449 . 0 0 "[ . 1 . 2]" 1
878 1 69 VAL HA 1 69 VAL MG2 . . 3.270 2.297 2.248 2.390 . 0 0 "[ . 1 . 2]" 1
879 1 69 VAL HA 1 72 SER H . . 4.800 4.701 4.544 4.797 . 0 0 "[ . 1 . 2]" 1
880 1 69 VAL HA 1 75 LEU HB2 . . 4.050 3.547 3.240 3.933 . 0 0 "[ . 1 . 2]" 1
881 1 69 VAL HA 1 75 LEU HB3 . . 4.050 2.905 2.672 3.117 . 0 0 "[ . 1 . 2]" 1
882 1 69 VAL HA 1 75 LEU MD1 . . 3.500 2.353 1.988 2.783 . 0 0 "[ . 1 . 2]" 1
883 1 69 VAL HA 1 76 ARG H . . 5.500 5.190 4.627 5.476 . 0 0 "[ . 1 . 2]" 1
884 1 69 VAL HB 1 70 LEU H . . 3.670 2.787 2.444 2.950 . 0 0 "[ . 1 . 2]" 1
885 1 69 VAL HB 1 70 LEU MD2 . . 4.330 3.421 2.262 3.935 . 0 0 "[ . 1 . 2]" 1
886 1 69 VAL MG1 1 70 LEU H . . 4.050 3.630 3.418 3.858 . 0 0 "[ . 1 . 2]" 1
887 1 69 VAL MG1 1 70 LEU HA . . 4.250 3.682 3.493 3.939 . 0 0 "[ . 1 . 2]" 1
888 1 69 VAL MG1 1 75 LEU HB2 . . 4.150 3.638 3.447 4.019 . 0 0 "[ . 1 . 2]" 1
889 1 69 VAL MG1 1 75 LEU QB . . 3.490 2.745 2.522 3.037 . 0 0 "[ . 1 . 2]" 1
890 1 69 VAL MG1 1 75 LEU HB3 . . 4.150 2.847 2.578 3.143 . 0 0 "[ . 1 . 2]" 1
891 1 69 VAL MG1 1 75 LEU MD1 . . 4.200 3.670 3.351 4.031 . 0 0 "[ . 1 . 2]" 1
892 1 69 VAL MG1 1 76 ARG H . . 4.480 4.128 3.692 4.378 . 0 0 "[ . 1 . 2]" 1
893 1 69 VAL MG1 1 76 ARG HA . . 4.020 3.165 2.804 3.629 . 0 0 "[ . 1 . 2]" 1
894 1 69 VAL MG1 1 76 ARG QG . . 4.430 3.792 2.922 4.418 . 0 0 "[ . 1 . 2]" 1
895 1 69 VAL MG1 1 79 TYR H . . 4.300 4.160 3.938 4.300 0.000 7 0 "[ . 1 . 2]" 1
896 1 69 VAL MG1 1 79 TYR HB2 . . 4.070 2.875 2.546 3.114 . 0 0 "[ . 1 . 2]" 1
897 1 69 VAL MG1 1 79 TYR QB . . 3.470 2.761 2.493 2.986 . 0 0 "[ . 1 . 2]" 1
898 1 69 VAL MG1 1 79 TYR HB3 . . 4.070 3.595 2.982 3.926 . 0 0 "[ . 1 . 2]" 1
899 1 69 VAL MG1 1 79 TYR QD . . 4.070 3.535 2.661 3.904 . 0 0 "[ . 1 . 2]" 1
900 1 69 VAL MG1 1 84 LEU MD1 . . 3.540 2.846 2.357 3.369 . 0 0 "[ . 1 . 2]" 1
901 1 69 VAL MG1 1 84 LEU MD2 . . 3.630 2.084 1.773 2.577 . 0 0 "[ . 1 . 2]" 1
902 1 69 VAL MG2 1 70 LEU H . . 3.990 3.878 3.712 3.958 . 0 0 "[ . 1 . 2]" 1
903 1 70 LEU H 1 70 LEU MD1 . . 3.920 3.523 3.370 3.800 . 0 0 "[ . 1 . 2]" 1
904 1 70 LEU H 1 70 LEU MD2 . . 3.930 3.475 2.935 3.714 . 0 0 "[ . 1 . 2]" 1
905 1 70 LEU H 1 70 LEU HG . . 3.480 2.243 1.978 2.487 . 0 0 "[ . 1 . 2]" 1
906 1 70 LEU H 1 71 GLY H . . 3.840 2.154 2.038 2.310 . 0 0 "[ . 1 . 2]" 1
907 1 70 LEU HA 1 70 LEU MD1 . . 4.140 3.981 3.925 4.014 . 0 0 "[ . 1 . 2]" 1
908 1 70 LEU HA 1 70 LEU MD2 . . 3.300 2.386 2.028 2.642 . 0 0 "[ . 1 . 2]" 1
909 1 70 LEU HA 1 72 SER H . . 4.430 3.721 3.406 4.206 . 0 0 "[ . 1 . 2]" 1
910 1 70 LEU HA 1 76 ARG QB . . 4.500 3.522 2.092 4.214 . 0 0 "[ . 1 . 2]" 1
911 1 70 LEU HA 1 76 ARG QG . . 3.980 2.429 1.905 3.931 . 0 0 "[ . 1 . 2]" 1
912 1 70 LEU QB 1 70 LEU MD1 . . 3.150 1.996 1.951 2.081 . 0 0 "[ . 1 . 2]" 1
913 1 70 LEU QB 1 71 GLY H . . 4.240 2.948 2.820 3.138 . 0 0 "[ . 1 . 2]" 1
914 1 70 LEU HB2 1 70 LEU MD1 . . 3.640 2.093 2.007 2.278 . 0 0 "[ . 1 . 2]" 1
915 1 70 LEU HB3 1 70 LEU MD1 . . 3.640 2.548 2.397 2.653 . 0 0 "[ . 1 . 2]" 1
916 1 70 LEU MD1 1 76 ARG QG . . 4.850 4.414 4.011 4.842 . 0 0 "[ . 1 . 2]" 1
917 1 70 LEU MD2 1 76 ARG H . . 4.770 4.632 4.388 4.769 . 0 0 "[ . 1 . 2]" 1
918 1 70 LEU MD2 1 76 ARG HA . . 4.260 3.356 2.634 3.716 . 0 0 "[ . 1 . 2]" 1
919 1 70 LEU MD2 1 76 ARG QD . . 4.680 2.843 2.030 3.928 . 0 0 "[ . 1 . 2]" 1
920 1 70 LEU MD2 1 76 ARG HE . . 5.030 3.842 2.523 5.006 . 0 0 "[ . 1 . 2]" 1
921 1 70 LEU MD2 1 76 ARG QG . . 3.480 2.197 1.816 3.114 . 0 0 "[ . 1 . 2]" 1
922 1 71 GLY H 1 72 SER H . . 3.380 2.926 2.822 3.084 . 0 0 "[ . 1 . 2]" 1
923 1 72 SER H 1 72 SER QB . . 3.080 2.459 2.240 2.665 . 0 0 "[ . 1 . 2]" 1
924 1 72 SER H 1 75 LEU QB . . 4.190 3.324 2.889 3.641 . 0 0 "[ . 1 . 2]" 1
925 1 72 SER H 1 75 LEU MD1 . . 4.230 2.665 2.317 3.341 . 0 0 "[ . 1 . 2]" 1
926 1 72 SER H 1 75 LEU MD2 . . 5.150 5.096 4.991 5.150 . 0 0 "[ . 1 . 2]" 1
927 1 72 SER H 1 75 LEU HG . . 4.820 4.081 3.762 4.334 . 0 0 "[ . 1 . 2]" 1
928 1 72 SER H 1 76 ARG H . . 4.600 4.463 4.252 4.599 . 0 0 "[ . 1 . 2]" 1
929 1 72 SER QB 1 75 LEU H . . 4.220 2.778 2.244 3.280 . 0 0 "[ . 1 . 2]" 1
930 1 72 SER QB 1 75 LEU HB2 . . 4.500 3.041 2.016 3.442 . 0 0 "[ . 1 . 2]" 1
931 1 72 SER QB 1 75 LEU QB . . 3.840 2.973 2.003 3.339 . 0 0 "[ . 1 . 2]" 1
932 1 72 SER QB 1 75 LEU HB3 . . 4.500 4.229 3.463 4.499 . 0 0 "[ . 1 . 2]" 1
933 1 72 SER QB 1 75 LEU MD1 . . 4.040 2.107 1.922 2.883 . 0 0 "[ . 1 . 2]" 1
934 1 72 SER QB 1 75 LEU MD2 . . 4.320 3.536 3.281 3.819 . 0 0 "[ . 1 . 2]" 1
935 1 72 SER QB 1 75 LEU HG . . 4.220 2.101 1.969 2.380 . 0 0 "[ . 1 . 2]" 1
936 1 73 ALA HA 1 76 ARG H . . 4.090 3.843 3.455 4.089 . 0 0 "[ . 1 . 2]" 1
937 1 73 ALA HA 1 76 ARG QB . . 3.930 2.976 2.782 3.541 . 0 0 "[ . 1 . 2]" 1
938 1 73 ALA MB 1 74 THR H . . 3.840 2.433 2.094 2.785 . 0 0 "[ . 1 . 2]" 1
939 1 73 ALA MB 1 74 THR HA . . 4.590 3.680 3.548 3.822 . 0 0 "[ . 1 . 2]" 1
940 1 74 THR H 1 74 THR HB . . 3.420 2.644 2.408 2.823 . 0 0 "[ . 1 . 2]" 1
941 1 74 THR H 1 74 THR MG . . 4.210 3.768 3.742 3.789 . 0 0 "[ . 1 . 2]" 1
942 1 74 THR HA 1 74 THR MG . . 3.160 2.334 2.185 2.443 . 0 0 "[ . 1 . 2]" 1
943 1 74 THR HA 1 76 ARG QB . . 5.340 4.896 4.583 5.096 . 0 0 "[ . 1 . 2]" 1
944 1 74 THR HA 1 77 ARG H . . 3.870 3.679 3.310 3.860 . 0 0 "[ . 1 . 2]" 1
945 1 74 THR HA 1 77 ARG QB . . 3.980 3.131 2.727 3.350 . 0 0 "[ . 1 . 2]" 1
946 1 74 THR HA 1 77 ARG QD . . 4.070 2.680 2.000 4.070 . 0 0 "[ . 1 . 2]" 1
947 1 74 THR HA 1 77 ARG QG . . 5.340 3.730 2.072 4.752 . 0 0 "[ . 1 . 2]" 1
948 1 74 THR HA 1 78 LYS H . . 5.100 4.366 4.037 4.675 . 0 0 "[ . 1 . 2]" 1
949 1 74 THR HB 1 75 LEU H . . 3.540 2.162 1.922 2.361 . 0 0 "[ . 1 . 2]" 1
950 1 74 THR HB 1 75 LEU MD2 . . 4.390 3.750 2.834 4.354 . 0 0 "[ . 1 . 2]" 1
951 1 74 THR HB 1 75 LEU HG . . 4.520 3.361 3.069 3.792 . 0 0 "[ . 1 . 2]" 1
952 1 74 THR MG 1 75 LEU H . . 3.980 3.033 2.704 3.347 . 0 0 "[ . 1 . 2]" 1
953 1 74 THR MG 1 75 LEU MD2 . . 3.600 3.287 2.487 3.600 0.000 7 0 "[ . 1 . 2]" 1
954 1 74 THR MG 1 78 LYS H . . 4.870 3.874 3.608 4.262 . 0 0 "[ . 1 . 2]" 1
955 1 74 THR MG 1 78 LYS QD . . 3.680 2.560 1.949 3.629 . 0 0 "[ . 1 . 2]" 1
956 1 74 THR MG 1 78 LYS HE2 . . 4.600 4.008 2.177 4.597 . 0 0 "[ . 1 . 2]" 1
957 1 74 THR MG 1 78 LYS QE . . 3.840 3.243 2.117 3.836 . 0 0 "[ . 1 . 2]" 1
958 1 74 THR MG 1 78 LYS HE3 . . 4.600 3.632 2.356 4.345 . 0 0 "[ . 1 . 2]" 1
959 1 75 LEU H 1 75 LEU QB . . 3.640 2.596 2.437 2.782 . 0 0 "[ . 1 . 2]" 1
960 1 75 LEU H 1 75 LEU MD1 . . 4.170 3.569 3.377 3.731 . 0 0 "[ . 1 . 2]" 1
961 1 75 LEU H 1 75 LEU MD2 . . 4.030 2.996 2.255 3.373 . 0 0 "[ . 1 . 2]" 1
962 1 75 LEU H 1 75 LEU HG . . 3.600 2.057 1.901 2.362 . 0 0 "[ . 1 . 2]" 1
963 1 75 LEU H 1 76 ARG H . . 3.570 3.090 2.872 3.213 . 0 0 "[ . 1 . 2]" 1
964 1 75 LEU H 1 77 ARG H . . 4.820 4.496 4.326 4.806 . 0 0 "[ . 1 . 2]" 1
965 1 75 LEU H 1 78 LYS HG3 . . 4.230 4.033 3.634 4.229 . 0 0 "[ . 1 . 2]" 1
966 1 75 LEU HA 1 75 LEU MD1 . . 3.990 3.879 3.774 3.948 . 0 0 "[ . 1 . 2]" 1
967 1 75 LEU HA 1 75 LEU MD2 . . 2.980 2.097 1.968 2.441 . 0 0 "[ . 1 . 2]" 1
968 1 75 LEU HA 1 75 LEU HG . . 4.210 3.159 2.974 3.472 . 0 0 "[ . 1 . 2]" 1
969 1 75 LEU HA 1 78 LYS H . . 4.460 3.345 3.160 3.626 . 0 0 "[ . 1 . 2]" 1
970 1 75 LEU HA 1 78 LYS QD . . 4.020 2.666 2.153 3.063 . 0 0 "[ . 1 . 2]" 1
971 1 75 LEU HA 1 79 TYR H . . 4.850 4.047 3.667 4.707 . 0 0 "[ . 1 . 2]" 1
972 1 75 LEU HA 1 84 LEU MD1 . . 4.310 3.010 2.433 3.577 . 0 0 "[ . 1 . 2]" 1
973 1 75 LEU QB 1 76 ARG H . . 4.050 2.199 2.036 2.670 . 0 0 "[ . 1 . 2]" 1
974 1 75 LEU QB 1 84 LEU MD1 . . 3.580 2.589 2.159 3.327 . 0 0 "[ . 1 . 2]" 1
975 1 75 LEU HB2 1 76 ARG H . . 4.680 2.232 2.057 2.723 . 0 0 "[ . 1 . 2]" 1
976 1 75 LEU HB3 1 76 ARG H . . 4.680 3.353 3.182 3.857 . 0 0 "[ . 1 . 2]" 1
977 1 75 LEU MD1 1 76 ARG H . . 4.530 4.144 3.892 4.487 . 0 0 "[ . 1 . 2]" 1
978 1 75 LEU MD1 1 78 LYS QD . . 5.300 4.907 4.350 5.225 . 0 0 "[ . 1 . 2]" 1
979 1 75 LEU MD2 1 76 ARG H . . 4.730 4.538 4.315 4.675 . 0 0 "[ . 1 . 2]" 1
980 1 75 LEU MD2 1 78 LYS H . . 5.130 4.932 4.799 5.125 . 0 0 "[ . 1 . 2]" 1
981 1 75 LEU MD2 1 78 LYS QB . . 4.160 3.620 3.294 3.930 . 0 0 "[ . 1 . 2]" 1
982 1 75 LEU MD2 1 78 LYS QD . . 3.510 2.525 1.978 2.704 . 0 0 "[ . 1 . 2]" 1
983 1 75 LEU MD2 1 78 LYS HE2 . . 5.250 4.708 4.261 5.224 . 0 0 "[ . 1 . 2]" 1
984 1 75 LEU MD2 1 78 LYS QE . . 4.370 4.085 3.694 4.324 . 0 0 "[ . 1 . 2]" 1
985 1 75 LEU MD2 1 78 LYS HE3 . . 5.250 4.574 3.946 5.155 . 0 0 "[ . 1 . 2]" 1
986 1 75 LEU MD2 1 84 LEU MD1 . . 3.140 2.249 1.812 2.800 . 0 0 "[ . 1 . 2]" 1
987 1 75 LEU MD2 1 88 ASP HA . . 5.260 4.887 4.218 5.258 . 0 0 "[ . 1 . 2]" 1
988 1 75 LEU MD2 1 88 ASP QB . . 3.710 3.208 2.455 3.695 . 0 0 "[ . 1 . 2]" 1
989 1 76 ARG H 1 76 ARG HB2 . . 3.780 2.419 2.175 2.757 . 0 0 "[ . 1 . 2]" 1
990 1 76 ARG H 1 76 ARG QB . . 3.140 2.346 2.127 2.670 . 0 0 "[ . 1 . 2]" 1
991 1 76 ARG H 1 76 ARG HB3 . . 3.780 3.311 2.532 3.617 . 0 0 "[ . 1 . 2]" 1
992 1 76 ARG H 1 76 ARG QD . . 5.340 4.084 3.277 4.897 . 0 0 "[ . 1 . 2]" 1
993 1 76 ARG H 1 76 ARG QG . . 4.590 2.912 1.891 3.999 . 0 0 "[ . 1 . 2]" 1
994 1 76 ARG H 1 77 ARG H . . 3.530 3.011 2.659 3.150 . 0 0 "[ . 1 . 2]" 1
995 1 76 ARG H 1 78 LYS H . . 5.050 4.300 4.072 4.531 . 0 0 "[ . 1 . 2]" 1
996 1 76 ARG HA 1 79 TYR H . . 4.280 3.973 3.498 4.214 . 0 0 "[ . 1 . 2]" 1
997 1 76 ARG HA 1 79 TYR HB2 . . 4.480 4.037 3.313 4.373 . 0 0 "[ . 1 . 2]" 1
998 1 76 ARG HA 1 79 TYR QB . . 3.860 3.362 2.898 3.669 . 0 0 "[ . 1 . 2]" 1
999 1 76 ARG HA 1 79 TYR HB3 . . 4.480 3.619 3.199 4.051 . 0 0 "[ . 1 . 2]" 1
1000 1 76 ARG QB 1 76 ARG HE . . 4.750 3.206 2.336 4.187 . 0 0 "[ . 1 . 2]" 1
1001 1 76 ARG QB 1 77 ARG H . . 3.190 2.410 2.064 2.619 . 0 0 "[ . 1 . 2]" 1
1002 1 76 ARG HE 1 76 ARG QG . . 3.640 2.542 2.148 3.285 . 0 0 "[ . 1 . 2]" 1
1003 1 77 ARG H 1 77 ARG QB . . 3.000 2.409 2.164 2.616 . 0 0 "[ . 1 . 2]" 1
1004 1 77 ARG H 1 77 ARG HD2 . . 4.790 3.639 2.263 4.649 . 0 0 "[ . 1 . 2]" 1
1005 1 77 ARG H 1 77 ARG QD . . 3.920 3.001 2.053 3.715 . 0 0 "[ . 1 . 2]" 1
1006 1 77 ARG H 1 77 ARG HD3 . . 4.790 3.438 2.062 4.748 . 0 0 "[ . 1 . 2]" 1
1007 1 77 ARG H 1 77 ARG HG2 . . 4.170 3.487 2.173 4.165 . 0 0 "[ . 1 . 2]" 1
1008 1 77 ARG H 1 77 ARG QG . . 3.660 2.458 1.915 3.496 . 0 0 "[ . 1 . 2]" 1
1009 1 77 ARG H 1 77 ARG HG3 . . 4.170 2.789 1.924 4.110 . 0 0 "[ . 1 . 2]" 1
1010 1 77 ARG HA 1 77 ARG QD . . 4.410 3.722 1.943 4.410 0.000 19 0 "[ . 1 . 2]" 1
1011 1 77 ARG HA 1 77 ARG HG2 . . 3.650 3.115 2.599 3.696 0.046 20 0 "[ . 1 . 2]" 1
1012 1 77 ARG HA 1 77 ARG HG3 . . 3.650 2.873 2.214 3.651 0.001 15 0 "[ . 1 . 2]" 1
1013 1 77 ARG HA 1 80 ASP H . . 4.320 3.556 3.316 3.764 . 0 0 "[ . 1 . 2]" 1
1014 1 77 ARG HA 1 80 ASP HB2 . . 4.190 2.779 2.281 3.564 . 0 0 "[ . 1 . 2]" 1
1015 1 77 ARG HA 1 80 ASP QB . . 3.620 2.604 2.220 3.100 . 0 0 "[ . 1 . 2]" 1
1016 1 77 ARG HA 1 80 ASP HB3 . . 4.190 3.411 2.879 4.145 . 0 0 "[ . 1 . 2]" 1
1017 1 77 ARG HA 1 81 ARG H . . 4.730 4.638 4.468 4.728 . 0 0 "[ . 1 . 2]" 1
1018 1 77 ARG QB 1 77 ARG QD . . 3.040 2.203 2.049 2.877 . 0 0 "[ . 1 . 2]" 1
1019 1 77 ARG QB 1 78 LYS H . . 3.270 2.612 2.330 3.337 0.067 19 0 "[ . 1 . 2]" 1
1020 1 77 ARG QB 1 78 LYS HA . . 5.180 3.911 3.775 4.601 . 0 0 "[ . 1 . 2]" 1
1021 1 77 ARG QD 1 78 LYS H . . 4.470 4.251 3.769 4.470 . 0 0 "[ . 1 . 2]" 1
1022 1 78 LYS H 1 78 LYS QB . . 3.620 2.504 2.339 2.649 . 0 0 "[ . 1 . 2]" 1
1023 1 78 LYS H 1 78 LYS QD . . 4.300 3.973 3.731 4.226 . 0 0 "[ . 1 . 2]" 1
1024 1 78 LYS H 1 78 LYS HG2 . . 3.330 3.039 2.645 3.230 . 0 0 "[ . 1 . 2]" 1
1025 1 78 LYS H 1 78 LYS HG3 . . 3.870 2.252 1.915 2.628 . 0 0 "[ . 1 . 2]" 1
1026 1 78 LYS H 1 79 TYR H . . 3.550 2.976 2.685 3.142 . 0 0 "[ . 1 . 2]" 1
1027 1 78 LYS H 1 80 ASP H . . 5.360 4.130 3.838 4.489 . 0 0 "[ . 1 . 2]" 1
1028 1 78 LYS H 1 84 LEU MD1 . . 5.240 4.784 4.532 5.106 . 0 0 "[ . 1 . 2]" 1
1029 1 78 LYS HA 1 78 LYS HG2 . . 3.760 2.444 2.244 2.602 . 0 0 "[ . 1 . 2]" 1
1030 1 78 LYS HA 1 78 LYS HG3 . . 3.800 3.301 3.127 3.467 . 0 0 "[ . 1 . 2]" 1
1031 1 78 LYS HA 1 81 ARG H . . 4.150 3.580 3.228 3.826 . 0 0 "[ . 1 . 2]" 1
1032 1 78 LYS HA 1 81 ARG QB . . 4.410 3.603 2.572 4.297 . 0 0 "[ . 1 . 2]" 1
1033 1 78 LYS HA 1 83 LEU H . . 4.260 3.461 3.195 3.785 . 0 0 "[ . 1 . 2]" 1
1034 1 78 LYS HA 1 83 LEU HB2 . . 4.040 2.329 2.088 2.578 . 0 0 "[ . 1 . 2]" 1
1035 1 78 LYS HA 1 83 LEU HB3 . . 4.280 3.931 3.634 4.186 . 0 0 "[ . 1 . 2]" 1
1036 1 78 LYS HA 1 83 LEU MD1 . . 3.470 2.074 1.834 2.301 . 0 0 "[ . 1 . 2]" 1
1037 1 78 LYS HA 1 83 LEU HG . . 4.500 3.716 3.463 3.945 . 0 0 "[ . 1 . 2]" 1
1038 1 78 LYS HA 1 84 LEU H . . 4.900 4.182 3.871 4.564 . 0 0 "[ . 1 . 2]" 1
1039 1 78 LYS QB 1 78 LYS QD . . 3.390 2.142 1.994 2.238 . 0 0 "[ . 1 . 2]" 1
1040 1 78 LYS QB 1 78 LYS QE . . 3.760 2.793 2.064 3.678 . 0 0 "[ . 1 . 2]" 1
1041 1 78 LYS QB 1 83 LEU HB2 . . 4.210 2.195 1.992 2.429 . 0 0 "[ . 1 . 2]" 1
1042 1 78 LYS QB 1 84 LEU H . . 4.340 2.818 2.560 3.078 . 0 0 "[ . 1 . 2]" 1
1043 1 78 LYS QB 1 84 LEU MD1 . . 3.860 2.610 2.315 2.959 . 0 0 "[ . 1 . 2]" 1
1044 1 78 LYS QB 1 84 LEU MD2 . . 4.390 4.010 3.241 4.343 . 0 0 "[ . 1 . 2]" 1
1045 1 78 LYS QB 1 85 SER H . . 5.340 4.968 4.667 5.333 . 0 0 "[ . 1 . 2]" 1
1046 1 78 LYS HB2 1 79 TYR H . . 4.070 2.222 2.024 2.596 . 0 0 "[ . 1 . 2]" 1
1047 1 78 LYS HB2 1 84 LEU MD1 . . 4.490 2.746 2.468 3.158 . 0 0 "[ . 1 . 2]" 1
1048 1 78 LYS HB3 1 79 TYR H . . 4.070 3.277 3.058 3.721 . 0 0 "[ . 1 . 2]" 1
1049 1 78 LYS HB3 1 84 LEU MD1 . . 4.490 3.296 2.801 3.859 . 0 0 "[ . 1 . 2]" 1
1050 1 78 LYS QD 1 83 LEU MD1 . . 5.500 4.267 3.569 4.783 . 0 0 "[ . 1 . 2]" 1
1051 1 78 LYS QD 1 84 LEU HA . . 4.550 3.411 2.869 3.821 . 0 0 "[ . 1 . 2]" 1
1052 1 78 LYS QD 1 84 LEU MD1 . . 3.720 2.698 1.980 3.291 . 0 0 "[ . 1 . 2]" 1
1053 1 78 LYS QD 1 85 SER H . . 5.500 4.954 4.264 5.470 . 0 0 "[ . 1 . 2]" 1
1054 1 78 LYS QE 1 78 LYS HG2 . . 3.360 2.288 2.078 2.713 . 0 0 "[ . 1 . 2]" 1
1055 1 78 LYS QE 1 78 LYS HG3 . . 3.450 3.081 2.579 3.428 . 0 0 "[ . 1 . 2]" 1
1056 1 78 LYS QE 1 83 LEU HB2 . . 4.310 3.296 2.047 4.238 . 0 0 "[ . 1 . 2]" 1
1057 1 78 LYS QE 1 83 LEU HB3 . . 4.570 3.231 1.982 4.091 . 0 0 "[ . 1 . 2]" 1
1058 1 78 LYS QE 1 83 LEU MD1 . . 3.970 3.414 2.730 3.762 . 0 0 "[ . 1 . 2]" 1
1059 1 78 LYS HE2 1 78 LYS HG2 . . 3.880 2.766 2.096 3.624 . 0 0 "[ . 1 . 2]" 1
1060 1 78 LYS HE2 1 83 LEU MD1 . . 4.630 3.946 3.049 4.601 . 0 0 "[ . 1 . 2]" 1
1061 1 78 LYS HE3 1 78 LYS HG2 . . 3.880 2.749 2.164 3.589 . 0 0 "[ . 1 . 2]" 1
1062 1 78 LYS HE3 1 83 LEU MD1 . . 4.630 4.099 2.760 4.628 . 0 0 "[ . 1 . 2]" 1
1063 1 78 LYS HG2 1 79 TYR H . . 5.170 4.718 4.583 4.874 . 0 0 "[ . 1 . 2]" 1
1064 1 78 LYS HG3 1 79 TYR H . . 4.820 4.140 3.942 4.458 . 0 0 "[ . 1 . 2]" 1
1065 1 78 LYS HG3 1 83 LEU MD1 . . 4.340 4.236 3.797 4.340 . 0 0 "[ . 1 . 2]" 1
1066 1 79 TYR H 1 79 TYR HB2 . . 3.670 2.341 2.242 2.420 . 0 0 "[ . 1 . 2]" 1
1067 1 79 TYR H 1 79 TYR HB3 . . 3.670 2.748 2.646 2.912 . 0 0 "[ . 1 . 2]" 1
1068 1 79 TYR H 1 79 TYR QD . . 4.170 4.089 3.950 4.170 0.000 1 0 "[ . 1 . 2]" 1
1069 1 79 TYR H 1 80 ASP H . . 3.740 2.820 2.694 2.949 . 0 0 "[ . 1 . 2]" 1
1070 1 79 TYR H 1 81 ARG H . . 4.900 4.363 3.859 4.748 . 0 0 "[ . 1 . 2]" 1
1071 1 79 TYR H 1 83 LEU HB2 . . 5.500 4.721 4.273 5.184 . 0 0 "[ . 1 . 2]" 1
1072 1 79 TYR H 1 84 LEU HB3 . . 5.120 3.897 3.076 4.795 . 0 0 "[ . 1 . 2]" 1
1073 1 79 TYR H 1 84 LEU MD1 . . 4.300 3.613 3.253 3.955 . 0 0 "[ . 1 . 2]" 1
1074 1 79 TYR HA 1 79 TYR QD . . 3.830 2.427 2.000 2.838 . 0 0 "[ . 1 . 2]" 1
1075 1 79 TYR HA 1 82 GLY H . . 4.090 3.205 2.856 3.563 . 0 0 "[ . 1 . 2]" 1
1076 1 79 TYR HA 1 83 LEU H . . 4.370 3.572 2.984 4.101 . 0 0 "[ . 1 . 2]" 1
1077 1 79 TYR HA 1 84 LEU H . . 4.070 2.694 2.102 3.229 . 0 0 "[ . 1 . 2]" 1
1078 1 79 TYR HA 1 84 LEU HB2 . . 4.440 2.859 2.399 3.107 . 0 0 "[ . 1 . 2]" 1
1079 1 79 TYR HA 1 84 LEU HB3 . . 4.210 2.578 2.024 3.157 . 0 0 "[ . 1 . 2]" 1
1080 1 79 TYR HA 1 84 LEU MD1 . . 4.650 4.429 4.067 4.610 . 0 0 "[ . 1 . 2]" 1
1081 1 79 TYR HA 1 84 LEU MD2 . . 4.220 3.480 3.088 3.763 . 0 0 "[ . 1 . 2]" 1
1082 1 79 TYR QB 1 80 ASP H . . 3.720 2.590 2.335 2.894 . 0 0 "[ . 1 . 2]" 1
1083 1 79 TYR QB 1 84 LEU MD1 . . 4.730 3.535 2.898 3.975 . 0 0 "[ . 1 . 2]" 1
1084 1 79 TYR QB 1 84 LEU MD2 . . 4.130 2.323 1.961 3.090 . 0 0 "[ . 1 . 2]" 1
1085 1 79 TYR QD 1 80 ASP H . . 4.280 4.038 3.700 4.274 . 0 0 "[ . 1 . 2]" 1
1086 1 79 TYR QD 1 84 LEU H . . 4.610 4.057 3.256 4.558 . 0 0 "[ . 1 . 2]" 1
1087 1 79 TYR QD 1 84 LEU HB2 . . 4.870 3.436 2.771 3.709 . 0 0 "[ . 1 . 2]" 1
1088 1 79 TYR QD 1 84 LEU HB3 . . 4.460 2.205 1.999 2.848 . 0 0 "[ . 1 . 2]" 1
1089 1 79 TYR QD 1 84 LEU MD1 . . 4.430 4.254 3.823 4.417 . 0 0 "[ . 1 . 2]" 1
1090 1 79 TYR QD 1 84 LEU MD2 . . 3.640 2.149 1.887 2.801 . 0 0 "[ . 1 . 2]" 1
1091 1 79 TYR QE 1 84 LEU HB3 . . 4.640 4.243 3.968 4.581 . 0 0 "[ . 1 . 2]" 1
1092 1 80 ASP H 1 80 ASP HB2 . . 3.900 2.289 2.195 2.494 . 0 0 "[ . 1 . 2]" 1
1093 1 80 ASP H 1 80 ASP QB . . 3.330 2.206 2.136 2.275 . 0 0 "[ . 1 . 2]" 1
1094 1 80 ASP H 1 80 ASP HB3 . . 3.900 3.022 2.567 3.562 . 0 0 "[ . 1 . 2]" 1
1095 1 80 ASP H 1 81 ARG H . . 3.640 2.777 2.550 3.025 . 0 0 "[ . 1 . 2]" 1
1096 1 80 ASP H 1 81 ARG QG . . 4.400 4.128 3.782 4.347 . 0 0 "[ . 1 . 2]" 1
1097 1 80 ASP HA 1 81 ARG QD . . 4.700 4.480 4.175 4.699 . 0 0 "[ . 1 . 2]" 1
1098 1 80 ASP QB 1 81 ARG H . . 3.580 2.611 2.226 3.078 . 0 0 "[ . 1 . 2]" 1
1099 1 80 ASP HB2 1 81 ARG H . . 4.090 3.451 2.752 3.971 . 0 0 "[ . 1 . 2]" 1
1100 1 80 ASP HB3 1 81 ARG H . . 4.090 2.851 2.246 3.663 . 0 0 "[ . 1 . 2]" 1
1101 1 81 ARG H 1 81 ARG HB2 . . 4.100 2.753 2.477 2.857 . 0 0 "[ . 1 . 2]" 1
1102 1 81 ARG H 1 81 ARG QB . . 3.420 2.676 2.440 2.772 . 0 0 "[ . 1 . 2]" 1
1103 1 81 ARG H 1 81 ARG HB3 . . 4.100 3.665 3.592 3.745 . 0 0 "[ . 1 . 2]" 1
1104 1 81 ARG H 1 81 ARG QD . . 3.810 3.107 2.536 3.564 . 0 0 "[ . 1 . 2]" 1
1105 1 81 ARG H 1 81 ARG QG . . 3.070 2.116 1.891 2.910 . 0 0 "[ . 1 . 2]" 1
1106 1 81 ARG H 1 83 LEU H . . 4.370 3.396 3.226 3.619 . 0 0 "[ . 1 . 2]" 1
1107 1 81 ARG H 1 83 LEU MD1 . . 4.560 3.589 2.932 4.251 . 0 0 "[ . 1 . 2]" 1
1108 1 81 ARG H 1 83 LEU HG . . 4.470 4.110 3.535 4.422 . 0 0 "[ . 1 . 2]" 1
1109 1 81 ARG HA 1 81 ARG QD . . 3.850 2.340 1.926 2.529 . 0 0 "[ . 1 . 2]" 1
1110 1 81 ARG HA 1 81 ARG HG2 . . 3.940 3.330 3.188 3.493 . 0 0 "[ . 1 . 2]" 1
1111 1 81 ARG HA 1 81 ARG QG . . 3.400 3.147 2.998 3.257 . 0 0 "[ . 1 . 2]" 1
1112 1 81 ARG HA 1 81 ARG HG3 . . 3.940 3.877 3.647 3.943 0.003 2 0 "[ . 1 . 2]" 1
1113 1 81 ARG HA 1 83 LEU MD1 . . 4.880 4.587 4.341 4.858 . 0 0 "[ . 1 . 2]" 1
1114 1 81 ARG QB 1 81 ARG QD . . 3.360 2.585 2.184 2.852 . 0 0 "[ . 1 . 2]" 1
1115 1 81 ARG QB 1 83 LEU MD1 . . 3.540 2.056 1.855 2.367 . 0 0 "[ . 1 . 2]" 1
1116 1 81 ARG QB 1 83 LEU HG . . 3.790 2.023 1.963 2.136 . 0 0 "[ . 1 . 2]" 1
1117 1 81 ARG HB2 1 82 GLY H . . 4.930 3.623 3.125 3.954 . 0 0 "[ . 1 . 2]" 1
1118 1 81 ARG HB2 1 83 LEU MD1 . . 4.190 2.094 1.914 2.398 . 0 0 "[ . 1 . 2]" 1
1119 1 81 ARG HB2 1 83 LEU HG . . 4.330 2.062 1.999 2.385 . 0 0 "[ . 1 . 2]" 1
1120 1 81 ARG HB3 1 82 GLY H . . 4.930 4.436 4.223 4.569 . 0 0 "[ . 1 . 2]" 1
1121 1 81 ARG HB3 1 83 LEU MD1 . . 4.190 3.161 2.422 3.660 . 0 0 "[ . 1 . 2]" 1
1122 1 81 ARG HB3 1 83 LEU HG . . 4.330 3.273 2.269 3.686 . 0 0 "[ . 1 . 2]" 1
1123 1 81 ARG QD 1 82 GLY H . . 4.760 4.607 4.360 4.742 . 0 0 "[ . 1 . 2]" 1
1124 1 81 ARG QD 1 83 LEU MD1 . . 4.090 4.066 3.889 4.091 0.001 15 0 "[ . 1 . 2]" 1
1125 1 81 ARG QG 1 82 GLY H . . 5.150 4.140 3.796 4.659 . 0 0 "[ . 1 . 2]" 1
1126 1 81 ARG QG 1 83 LEU MD1 . . 4.130 2.386 2.241 2.729 . 0 0 "[ . 1 . 2]" 1
1127 1 82 GLY H 1 83 LEU H . . 3.390 2.520 2.212 2.745 . 0 0 "[ . 1 . 2]" 1
1128 1 82 GLY H 1 83 LEU HG . . 4.480 4.114 3.749 4.419 . 0 0 "[ . 1 . 2]" 1
1129 1 82 GLY H 1 84 LEU H . . 4.270 3.903 3.556 4.264 . 0 0 "[ . 1 . 2]" 1
1130 1 82 GLY QA 1 84 LEU H . . 5.030 3.338 3.046 3.661 . 0 0 "[ . 1 . 2]" 1
1131 1 83 LEU H 1 83 LEU HB2 . . 3.530 2.526 2.434 2.596 . 0 0 "[ . 1 . 2]" 1
1132 1 83 LEU H 1 83 LEU MD1 . . 3.850 3.286 3.147 3.526 . 0 0 "[ . 1 . 2]" 1
1133 1 83 LEU H 1 83 LEU MD2 . . 3.810 3.730 3.491 3.813 0.003 15 0 "[ . 1 . 2]" 1
1134 1 83 LEU H 1 83 LEU HG . . 3.260 2.356 2.139 2.518 . 0 0 "[ . 1 . 2]" 1
1135 1 83 LEU H 1 84 LEU H . . 3.320 2.365 2.174 2.550 . 0 0 "[ . 1 . 2]" 1
1136 1 83 LEU H 1 84 LEU HB3 . . 4.830 4.734 4.484 4.830 . 0 0 "[ . 1 . 2]" 1
1137 1 83 LEU HA 1 83 LEU MD1 . . 4.110 3.947 3.918 3.972 . 0 0 "[ . 1 . 2]" 1
1138 1 83 LEU HA 1 83 LEU MD2 . . 2.920 2.448 2.236 2.641 . 0 0 "[ . 1 . 2]" 1
1139 1 83 LEU HB2 1 83 LEU MD1 . . 3.620 2.099 1.987 2.167 . 0 0 "[ . 1 . 2]" 1
1140 1 83 LEU HB2 1 83 LEU MD2 . . 3.330 3.139 3.117 3.179 . 0 0 "[ . 1 . 2]" 1
1141 1 83 LEU HB3 1 83 LEU MD2 . . 3.150 2.159 2.033 2.242 . 0 0 "[ . 1 . 2]" 1
1142 1 83 LEU HB3 1 84 LEU H . . 4.440 4.073 3.818 4.257 . 0 0 "[ . 1 . 2]" 1
1143 1 83 LEU HG 1 84 LEU H . . 4.930 4.400 4.283 4.536 . 0 0 "[ . 1 . 2]" 1
1144 1 84 LEU H 1 84 LEU HB2 . . 3.470 2.494 2.246 2.656 . 0 0 "[ . 1 . 2]" 1
1145 1 84 LEU H 1 84 LEU HB3 . . 3.450 2.579 2.515 2.795 . 0 0 "[ . 1 . 2]" 1
1146 1 84 LEU H 1 84 LEU MD1 . . 4.220 4.029 3.739 4.186 . 0 0 "[ . 1 . 2]" 1
1147 1 84 LEU H 1 84 LEU MD2 . . 4.410 4.245 4.176 4.292 . 0 0 "[ . 1 . 2]" 1
1148 1 84 LEU H 1 85 SER H . . 4.650 4.521 4.441 4.631 . 0 0 "[ . 1 . 2]" 1
1149 1 84 LEU HA 1 84 LEU MD1 . . 3.570 2.475 2.176 2.637 . 0 0 "[ . 1 . 2]" 1
1150 1 84 LEU HA 1 84 LEU MD2 . . 3.910 3.895 3.854 3.912 0.002 6 0 "[ . 1 . 2]" 1
1151 1 84 LEU HA 1 85 SER H . . 3.240 2.169 2.139 2.296 . 0 0 "[ . 1 . 2]" 1
1152 1 84 LEU HB2 1 84 LEU MD2 . . 3.670 2.615 2.500 2.691 . 0 0 "[ . 1 . 2]" 1
1153 1 84 LEU HB2 1 85 SER H . . 4.430 4.267 4.022 4.399 . 0 0 "[ . 1 . 2]" 1
1154 1 84 LEU HB3 1 84 LEU MD2 . . 3.660 2.146 1.988 2.255 . 0 0 "[ . 1 . 2]" 1
1155 1 84 LEU HB3 1 85 SER H . . 4.600 4.082 3.653 4.221 . 0 0 "[ . 1 . 2]" 1
1156 1 84 LEU MD1 1 85 SER H . . 3.920 3.328 2.822 3.629 . 0 0 "[ . 1 . 2]" 1
1157 1 84 LEU MD1 1 88 ASP HA . . 4.670 4.422 4.250 4.641 . 0 0 "[ . 1 . 2]" 1
1158 1 84 LEU MD1 1 88 ASP HB2 . . 3.980 2.426 2.067 2.964 . 0 0 "[ . 1 . 2]" 1
1159 1 84 LEU MD1 1 88 ASP HB3 . . 3.980 2.330 1.975 2.826 . 0 0 "[ . 1 . 2]" 1
1160 1 84 LEU MD1 1 89 LEU H . . 5.500 4.326 3.712 5.404 . 0 0 "[ . 1 . 2]" 1
1161 1 84 LEU MD2 1 85 SER H . . 4.480 4.286 3.736 4.476 . 0 0 "[ . 1 . 2]" 1
1162 1 84 LEU MD2 1 88 ASP HB2 . . 4.620 3.817 3.102 4.406 . 0 0 "[ . 1 . 2]" 1
1163 1 84 LEU MD2 1 88 ASP QB . . 3.960 3.366 2.609 3.881 . 0 0 "[ . 1 . 2]" 1
1164 1 84 LEU MD2 1 88 ASP HB3 . . 4.620 3.888 2.665 4.599 . 0 0 "[ . 1 . 2]" 1
1165 1 84 LEU HG 1 85 SER H . . 3.980 2.727 2.043 3.009 . 0 0 "[ . 1 . 2]" 1
1166 1 84 LEU HG 1 88 ASP QB . . 4.810 2.616 1.999 3.033 . 0 0 "[ . 1 . 2]" 1
1167 1 85 SER H 1 85 SER HB2 . . 4.150 2.779 2.263 3.907 . 0 0 "[ . 1 . 2]" 1
1168 1 85 SER H 1 85 SER QB . . 3.570 2.553 2.239 3.252 . 0 0 "[ . 1 . 2]" 1
1169 1 85 SER H 1 85 SER HB3 . . 4.150 3.347 2.651 3.789 . 0 0 "[ . 1 . 2]" 1
1170 1 85 SER H 1 88 ASP H . . 4.470 3.649 3.299 4.289 . 0 0 "[ . 1 . 2]" 1
1171 1 85 SER H 1 88 ASP HB2 . . 4.670 3.201 2.582 4.663 . 0 0 "[ . 1 . 2]" 1
1172 1 85 SER H 1 88 ASP QB . . 3.800 3.049 2.553 3.730 . 0 0 "[ . 1 . 2]" 1
1173 1 85 SER H 1 88 ASP HB3 . . 4.670 4.322 3.044 4.646 . 0 0 "[ . 1 . 2]" 1
1174 1 85 SER QB 1 86 ASP H . . 3.620 2.663 1.955 3.377 . 0 0 "[ . 1 . 2]" 1
1175 1 85 SER QB 1 87 GLU H . . 3.790 2.777 2.347 3.200 . 0 0 "[ . 1 . 2]" 1
1176 1 85 SER HB2 1 86 ASP H . . 4.360 3.607 2.039 4.083 . 0 0 "[ . 1 . 2]" 1
1177 1 85 SER HB3 1 86 ASP H . . 4.360 2.948 1.970 3.722 . 0 0 "[ . 1 . 2]" 1
1178 1 86 ASP H 1 86 ASP QB . . 3.520 2.483 2.170 2.714 . 0 0 "[ . 1 . 2]" 1
1179 1 86 ASP H 1 87 GLU H . . 3.810 2.863 2.681 3.054 . 0 0 "[ . 1 . 2]" 1
1180 1 86 ASP HA 1 89 LEU H . . 3.940 3.216 2.965 3.566 . 0 0 "[ . 1 . 2]" 1
1181 1 86 ASP HA 1 89 LEU QB . . 3.750 2.750 2.047 3.617 . 0 0 "[ . 1 . 2]" 1
1182 1 86 ASP HA 1 89 LEU MD1 . . 3.780 2.124 1.933 2.423 . 0 0 "[ . 1 . 2]" 1
1183 1 86 ASP HA 1 89 LEU MD2 . . 4.660 4.389 4.056 4.661 0.001 19 0 "[ . 1 . 2]" 1
1184 1 86 ASP HA 1 89 LEU HG . . 4.340 3.313 2.774 3.883 . 0 0 "[ . 1 . 2]" 1
1185 1 86 ASP QB 1 87 GLU H . . 3.560 2.872 2.436 3.551 . 0 0 "[ . 1 . 2]" 1
1186 1 86 ASP QB 1 89 LEU MD1 . . 4.520 3.298 2.423 3.760 . 0 0 "[ . 1 . 2]" 1
1187 1 87 GLU H 1 87 GLU QB . . 3.110 2.317 2.181 2.501 . 0 0 "[ . 1 . 2]" 1
1188 1 87 GLU H 1 87 GLU QG . . 4.140 3.279 2.131 4.079 . 0 0 "[ . 1 . 2]" 1
1189 1 87 GLU H 1 88 ASP H . . 3.450 2.875 2.480 3.040 . 0 0 "[ . 1 . 2]" 1
1190 1 87 GLU H 1 89 LEU H . . 4.720 4.418 4.020 4.664 . 0 0 "[ . 1 . 2]" 1
1191 1 87 GLU HA 1 87 GLU QG . . 3.540 2.457 2.185 2.881 . 0 0 "[ . 1 . 2]" 1
1192 1 87 GLU HA 1 90 ARG H . . 4.130 3.943 3.361 4.126 . 0 0 "[ . 1 . 2]" 1
1193 1 87 GLU HA 1 90 ARG QB . . 5.020 4.285 3.475 4.649 . 0 0 "[ . 1 . 2]" 1
1194 1 87 GLU HA 1 90 ARG QD . . 4.500 2.974 1.994 3.976 . 0 0 "[ . 1 . 2]" 1
1195 1 87 GLU HA 1 90 ARG HG2 . . 4.360 2.665 2.218 4.294 . 0 0 "[ . 1 . 2]" 1
1196 1 87 GLU HA 1 90 ARG QG . . 3.830 2.403 1.927 2.797 . 0 0 "[ . 1 . 2]" 1
1197 1 87 GLU HA 1 90 ARG HG3 . . 4.360 3.062 2.016 4.360 . 15 0 "[ . 1 . 2]" 1
1198 1 87 GLU QB 1 88 ASP H . . 3.800 2.634 2.364 2.868 . 0 0 "[ . 1 . 2]" 1
1199 1 87 GLU QB 1 88 ASP HA . . 4.470 4.006 3.775 4.377 . 0 0 "[ . 1 . 2]" 1
1200 1 87 GLU QG 1 88 ASP H . . 4.700 4.063 3.328 4.526 . 0 0 "[ . 1 . 2]" 1
1201 1 87 GLU QG 1 90 ARG QD . . 4.720 3.890 3.197 4.681 . 0 0 "[ . 1 . 2]" 1
1202 1 88 ASP H 1 88 ASP HB2 . . 3.720 2.452 2.184 3.534 . 0 0 "[ . 1 . 2]" 1
1203 1 88 ASP H 1 88 ASP QB . . 3.190 2.330 2.154 2.571 . 0 0 "[ . 1 . 2]" 1
1204 1 88 ASP H 1 88 ASP HB3 . . 3.720 3.344 2.248 3.609 . 0 0 "[ . 1 . 2]" 1
1205 1 88 ASP H 1 89 LEU H . . 3.310 2.639 2.343 3.033 . 0 0 "[ . 1 . 2]" 1
1206 1 88 ASP H 1 89 LEU QB . . 5.360 4.517 4.164 4.939 . 0 0 "[ . 1 . 2]" 1
1207 1 88 ASP H 1 89 LEU MD1 . . 5.160 4.870 4.402 5.156 . 0 0 "[ . 1 . 2]" 1
1208 1 88 ASP H 1 90 ARG QG . . 4.550 4.351 3.962 4.554 0.004 18 0 "[ . 1 . 2]" 1
1209 1 88 ASP QB 1 89 LEU H . . 3.570 2.522 2.192 3.391 . 0 0 "[ . 1 . 2]" 1
1210 1 88 ASP QB 1 89 LEU MD1 . . 4.710 4.540 4.267 4.717 0.007 19 0 "[ . 1 . 2]" 1
1211 1 88 ASP HB2 1 89 LEU H . . 4.220 2.853 2.370 4.039 . 0 0 "[ . 1 . 2]" 1
1212 1 88 ASP HB3 1 89 LEU H . . 4.220 3.265 2.221 3.858 . 0 0 "[ . 1 . 2]" 1
1213 1 89 LEU H 1 89 LEU QB . . 2.960 2.405 2.228 2.618 . 0 0 "[ . 1 . 2]" 1
1214 1 89 LEU H 1 89 LEU MD1 . . 3.740 3.337 3.181 3.510 . 0 0 "[ . 1 . 2]" 1
1215 1 89 LEU H 1 89 LEU MD2 . . 4.300 3.701 3.223 4.076 . 0 0 "[ . 1 . 2]" 1
1216 1 89 LEU H 1 89 LEU HG . . 3.770 2.384 2.029 2.846 . 0 0 "[ . 1 . 2]" 1
1217 1 89 LEU H 1 90 ARG H . . 3.260 2.922 2.647 3.160 . 0 0 "[ . 1 . 2]" 1
1218 1 89 LEU H 1 91 GLY H . . 4.830 4.088 3.675 4.751 . 0 0 "[ . 1 . 2]" 1
1219 1 89 LEU HA 1 89 LEU MD2 . . 3.160 2.334 1.982 2.696 . 0 0 "[ . 1 . 2]" 1
1220 1 89 LEU HA 1 89 LEU HG . . 4.010 2.792 2.477 3.058 . 0 0 "[ . 1 . 2]" 1
1221 1 89 LEU QB 1 89 LEU MD2 . . 3.210 2.148 1.998 2.300 . 0 0 "[ . 1 . 2]" 1
1222 1 89 LEU QB 1 90 ARG H . . 3.490 2.331 1.968 2.664 . 0 0 "[ . 1 . 2]" 1
1223 1 89 LEU QB 1 90 ARG HA . . 4.200 3.824 3.683 3.951 . 0 0 "[ . 1 . 2]" 1
1224 1 89 LEU MD1 1 90 ARG H . . 4.460 4.123 3.544 4.461 0.001 15 0 "[ . 1 . 2]" 1
1225 1 89 LEU HG 1 90 ARG H . . 4.920 4.439 3.906 4.774 . 0 0 "[ . 1 . 2]" 1
1226 1 90 ARG H 1 90 ARG HB2 . . 3.730 3.509 2.635 3.650 . 0 0 "[ . 1 . 2]" 1
1227 1 90 ARG H 1 90 ARG QB . . 3.090 2.543 2.394 2.636 . 0 0 "[ . 1 . 2]" 1
1228 1 90 ARG H 1 90 ARG HB3 . . 3.730 2.695 2.431 3.610 . 0 0 "[ . 1 . 2]" 1
1229 1 90 ARG H 1 90 ARG QD . . 4.660 3.885 3.227 4.331 . 0 0 "[ . 1 . 2]" 1
1230 1 90 ARG H 1 90 ARG HG2 . . 4.070 2.387 1.902 3.362 . 0 0 "[ . 1 . 2]" 1
1231 1 90 ARG H 1 90 ARG QG . . 3.230 2.101 1.891 2.384 . 0 0 "[ . 1 . 2]" 1
1232 1 90 ARG H 1 90 ARG HG3 . . 4.070 2.939 2.054 3.625 . 0 0 "[ . 1 . 2]" 1
1233 1 90 ARG H 1 91 GLY H . . 3.400 2.613 2.261 3.138 . 0 0 "[ . 1 . 2]" 1
1234 1 90 ARG HA 1 90 ARG QD . . 4.560 4.120 2.961 4.525 . 0 0 "[ . 1 . 2]" 1
1235 1 90 ARG HA 1 90 ARG QG . . 3.520 3.281 2.354 3.433 . 0 0 "[ . 1 . 2]" 1
1236 1 90 ARG QB 1 90 ARG QD . . 3.000 2.201 2.057 2.471 . 0 0 "[ . 1 . 2]" 1
1237 1 90 ARG HB2 1 91 GLY H . . 4.130 3.648 2.270 4.057 . 0 0 "[ . 1 . 2]" 1
1238 1 90 ARG HB3 1 91 GLY H . . 4.130 3.896 3.383 4.103 . 0 0 "[ . 1 . 2]" 1
1239 1 90 ARG QG 1 91 GLY H . . 4.180 2.273 1.873 3.962 . 0 0 "[ . 1 . 2]" 1
1240 1 90 ARG HG2 1 91 GLY H . . 4.840 3.047 1.977 4.749 . 0 0 "[ . 1 . 2]" 1
1241 1 90 ARG HG3 1 91 GLY H . . 4.840 2.444 1.946 4.506 . 0 0 "[ . 1 . 2]" 1
1242 1 91 GLY H 1 92 PRO QD . . 4.340 3.696 2.391 4.325 . 0 0 "[ . 1 . 2]" 1
1243 1 91 GLY QA 1 92 PRO QD . . 2.880 1.968 1.909 2.033 . 0 0 "[ . 1 . 2]" 1
1244 1 91 GLY QA 1 92 PRO QG . . 4.070 3.703 3.659 3.794 . 0 0 "[ . 1 . 2]" 1
1245 1 92 PRO QB 1 93 GLY QA . . 5.020 3.911 3.482 4.399 . 0 0 "[ . 1 . 2]" 1
1246 1 92 PRO QG 1 93 GLY QA . . 5.150 4.305 3.681 4.848 . 0 0 "[ . 1 . 2]" 1
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