NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432632 |
2jt1   |
15386 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jt1
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 1146
_Distance_constraint_stats_list.Viol_count 325
_Distance_constraint_stats_list.Viol_total 207.318
_Distance_constraint_stats_list.Viol_max 0.211
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0319
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.833 0.078 11 0 "[ . 1 . 2]"
1 9 ILE 0.130 0.047 11 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.525 0.085 20 0 "[ . 1 . 2]"
1 12 ILE 0.880 0.066 20 0 "[ . 1 . 2]"
1 13 VAL 0.065 0.038 2 0 "[ . 1 . 2]"
1 14 GLN 0.644 0.151 15 0 "[ . 1 . 2]"
1 15 GLU 0.565 0.085 20 0 "[ . 1 . 2]"
1 16 ARG 0.158 0.047 3 0 "[ . 1 . 2]"
1 17 GLN 0.360 0.084 14 0 "[ . 1 . 2]"
1 18 ASN 0.397 0.151 15 0 "[ . 1 . 2]"
1 19 MET 0.119 0.047 3 0 "[ . 1 . 2]"
1 20 ASP 0.715 0.066 2 0 "[ . 1 . 2]"
1 21 ASP 0.066 0.042 16 0 "[ . 1 . 2]"
1 22 GLY 0.336 0.066 2 0 "[ . 1 . 2]"
1 23 ALA 0.469 0.058 16 0 "[ . 1 . 2]"
1 24 PRO 0.932 0.062 14 0 "[ . 1 . 2]"
1 25 VAL 0.347 0.084 14 0 "[ . 1 . 2]"
1 26 LYS 0.079 0.026 10 0 "[ . 1 . 2]"
1 27 THR 0.073 0.053 10 0 "[ . 1 . 2]"
1 28 ARG 0.156 0.046 20 0 "[ . 1 . 2]"
1 29 ASP 0.054 0.037 3 0 "[ . 1 . 2]"
1 30 ILE 0.195 0.041 20 0 "[ . 1 . 2]"
1 31 ALA 0.092 0.033 5 0 "[ . 1 . 2]"
1 32 ASP 0.050 0.037 3 0 "[ . 1 . 2]"
1 33 ALA 0.004 0.004 3 0 "[ . 1 . 2]"
1 34 ALA 0.229 0.078 11 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.075 0.030 12 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 0.212 0.051 14 0 "[ . 1 . 2]"
1 39 TYR 0.035 0.035 2 0 "[ . 1 . 2]"
1 40 GLN 0.121 0.064 2 0 "[ . 1 . 2]"
1 41 VAL 0.455 0.070 12 0 "[ . 1 . 2]"
1 42 ARG 0.379 0.070 12 0 "[ . 1 . 2]"
1 43 LEU 0.446 0.045 15 0 "[ . 1 . 2]"
1 44 TYR 0.508 0.064 2 0 "[ . 1 . 2]"
1 45 LEU 0.324 0.079 7 0 "[ . 1 . 2]"
1 46 GLU 0.409 0.079 7 0 "[ . 1 . 2]"
1 47 GLN 0.022 0.022 6 0 "[ . 1 . 2]"
1 48 LEU 0.484 0.066 19 0 "[ . 1 . 2]"
1 49 HIS 0.106 0.051 5 0 "[ . 1 . 2]"
1 50 ASP 0.022 0.022 6 0 "[ . 1 . 2]"
1 51 VAL 0.416 0.054 11 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.868 0.066 19 0 "[ . 1 . 2]"
1 54 LEU 0.224 0.071 10 0 "[ . 1 . 2]"
1 55 GLU 0.788 0.109 10 0 "[ . 1 . 2]"
1 56 LYS 0.043 0.025 6 0 "[ . 1 . 2]"
1 57 VAL 0.581 0.100 6 0 "[ . 1 . 2]"
1 58 ASN 0.311 0.093 7 0 "[ . 1 . 2]"
1 59 ALA 0.537 0.211 7 0 "[ . 1 . 2]"
1 60 GLY 0.127 0.087 6 0 "[ . 1 . 2]"
1 61 LYS 0.022 0.022 10 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 1.018 0.211 7 0 "[ . 1 . 2]"
1 64 PRO 0.022 0.022 17 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.825 0.054 15 0 "[ . 1 . 2]"
1 67 TRP 0.062 0.039 11 0 "[ . 1 . 2]"
1 68 ARG 1.069 0.109 10 0 "[ . 1 . 2]"
1 69 LEU 0.434 0.087 14 0 "[ . 1 . 2]"
1 70 LEU 0.702 0.099 9 0 "[ . 1 . 2]"
1 71 GLU 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 29 ASP HA 1 32 ASP HB2 4.370 . 4.810 3.329 2.401 4.183 . 0 0 "[ . 1 . 2]" 1
2 1 6 VAL HA 1 6 VAL MG1 3.330 . 3.660 2.405 2.381 2.442 . 0 0 "[ . 1 . 2]" 1
3 1 7 THR HA 1 7 THR MG 3.500 . 3.850 2.401 2.344 2.444 . 0 0 "[ . 1 . 2]" 1
4 1 8 LYS HA 1 8 LYS HG2 4.220 . 4.640 3.390 3.035 3.837 . 0 0 "[ . 1 . 2]" 1
5 1 10 ILE HA 1 10 ILE MG 3.360 . 3.700 2.426 2.408 2.468 . 0 0 "[ . 1 . 2]" 1
6 1 12 ILE HA 1 12 ILE MG 3.510 . 3.860 2.448 2.415 2.495 . 0 0 "[ . 1 . 2]" 1
7 1 13 VAL HA 1 13 VAL MG2 3.350 . 3.690 2.408 2.360 2.448 . 0 0 "[ . 1 . 2]" 1
8 1 14 GLN HA 1 14 GLN QG 3.570 . 3.930 2.619 2.413 3.020 . 0 0 "[ . 1 . 2]" 1
9 1 15 GLU HA 1 15 GLU HG2 4.190 . 4.610 3.260 2.444 3.903 . 0 0 "[ . 1 . 2]" 1
10 1 16 ARG HA 1 16 ARG HG2 4.140 . 4.550 3.012 2.655 3.271 . 0 0 "[ . 1 . 2]" 1
11 1 19 MET HA 1 19 MET HG2 4.090 . 4.500 3.096 2.440 3.859 . 0 0 "[ . 1 . 2]" 1
12 1 28 ARG HA 1 28 ARG HG2 4.180 . 4.600 2.998 2.423 4.259 . 0 0 "[ . 1 . 2]" 1
13 1 40 GLN HA 1 40 GLN HG2 4.180 . 4.600 3.391 2.787 3.837 . 0 0 "[ . 1 . 2]" 1
14 1 42 ARG HA 1 42 ARG HG2 4.170 . 4.590 3.204 2.306 3.970 . 0 0 "[ . 1 . 2]" 1
15 1 53 VAL HA 1 53 VAL MG1 3.260 . 3.590 2.429 2.398 2.471 . 0 0 "[ . 1 . 2]" 1
16 1 14 GLN QG 1 15 GLU HA 4.680 . 5.150 3.687 3.215 4.882 . 0 0 "[ . 1 . 2]" 1
17 1 17 GLN HA 1 17 GLN QG 3.570 . 3.930 2.568 2.267 3.361 . 0 0 "[ . 1 . 2]" 1
18 1 19 MET HA 1 19 MET HG3 4.090 . 4.500 3.637 2.963 3.806 . 0 0 "[ . 1 . 2]" 1
19 1 28 ARG HA 1 28 ARG HG3 4.180 . 4.600 3.301 2.391 3.813 . 0 0 "[ . 1 . 2]" 1
20 1 40 GLN HA 1 40 GLN HG3 4.180 . 4.600 2.835 2.517 3.704 . 0 0 "[ . 1 . 2]" 1
21 1 42 ARG HA 1 42 ARG HG3 4.170 . 4.590 3.149 2.455 3.767 . 0 0 "[ . 1 . 2]" 1
22 1 47 GLN HA 1 47 GLN HG3 4.140 . 4.550 3.418 2.966 3.848 . 0 0 "[ . 1 . 2]" 1
23 1 43 LEU HA 1 43 LEU HG 4.090 . 4.500 3.128 2.961 3.206 . 0 0 "[ . 1 . 2]" 1
24 1 48 LEU HA 1 48 LEU HG 4.050 . 4.460 3.039 2.976 3.109 . 0 0 "[ . 1 . 2]" 1
25 1 48 LEU HA 1 53 VAL HB 4.590 . 5.050 3.096 2.841 3.424 . 0 0 "[ . 1 . 2]" 1
26 1 69 LEU HA 1 69 LEU HG 4.130 . 4.540 3.706 3.664 3.730 . 0 0 "[ . 1 . 2]" 1
27 1 5 ILE HA 1 5 ILE MD 3.970 . 4.370 2.712 1.985 3.843 . 0 0 "[ . 1 . 2]" 1
28 1 9 ILE HA 1 9 ILE MD 3.860 . 4.250 3.812 3.791 3.821 . 0 0 "[ . 1 . 2]" 1
29 1 10 ILE HA 1 10 ILE MD 3.880 . 4.270 3.843 3.809 3.863 . 0 0 "[ . 1 . 2]" 1
30 1 12 ILE HA 1 12 ILE MD 4.090 . 4.500 3.858 3.828 3.887 . 0 0 "[ . 1 . 2]" 1
31 1 38 ILE HA 1 38 ILE MD 3.470 . 3.820 2.019 1.956 2.092 . 0 0 "[ . 1 . 2]" 1
32 1 39 TYR HA 1 39 TYR QD 4.060 . 4.470 2.849 2.457 3.767 . 0 0 "[ . 1 . 2]" 1
33 1 43 LEU HA 1 43 LEU MD1 3.980 . 4.380 3.864 3.841 3.880 . 0 0 "[ . 1 . 2]" 1
34 1 45 LEU HA 1 45 LEU MD1 4.050 . 4.460 3.868 3.834 3.890 . 0 0 "[ . 1 . 2]" 1
35 1 48 LEU HA 1 48 LEU MD2 3.360 . 3.700 1.964 1.929 2.022 . 0 0 "[ . 1 . 2]" 1
36 1 67 TRP HA 1 67 TRP HE3 4.590 . 5.050 2.930 2.648 3.221 . 0 0 "[ . 1 . 2]" 1
37 1 26 LYS HA 1 26 LYS HD2 4.560 . 5.020 3.309 2.942 3.674 . 0 0 "[ . 1 . 2]" 1
38 1 43 LEU HA 1 43 LEU MD2 3.410 . 3.750 2.011 1.934 2.072 . 0 0 "[ . 1 . 2]" 1
39 1 48 LEU HA 1 48 LEU MD1 4.060 . 4.470 3.856 3.841 3.874 . 0 0 "[ . 1 . 2]" 1
40 1 69 LEU HA 1 70 LEU MD2 4.050 . 4.460 3.450 2.573 4.336 . 0 0 "[ . 1 . 2]" 1
41 1 70 LEU HA 1 70 LEU MD1 4.280 . 4.710 3.993 3.799 4.148 . 0 0 "[ . 1 . 2]" 1
42 1 26 LYS HA 1 26 LYS HD3 4.560 . 5.020 4.188 3.987 4.355 . 0 0 "[ . 1 . 2]" 1
43 1 28 ARG HA 1 28 ARG HD3 4.740 . 5.210 3.828 1.936 5.036 . 0 0 "[ . 1 . 2]" 1
44 1 61 LYS HA 1 61 LYS QD 4.400 . 4.840 3.569 2.011 4.320 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE HA 1 9 ILE HG12 4.210 . 4.630 2.481 2.442 2.498 . 0 0 "[ . 1 . 2]" 1
46 1 10 ILE HA 1 10 ILE HG12 3.600 . 3.960 2.541 2.480 2.574 . 0 0 "[ . 1 . 2]" 1
47 1 12 ILE HA 1 12 ILE HG12 3.780 . 4.160 2.578 2.527 2.631 . 0 0 "[ . 1 . 2]" 1
48 1 30 ILE HA 1 30 ILE HG12 4.090 . 4.500 2.616 2.509 3.656 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE HA 1 12 ILE MD 3.410 . 3.750 2.065 1.820 2.549 . 0 0 "[ . 1 . 2]" 1
50 1 10 ILE HA 1 10 ILE HG13 3.600 . 3.960 3.042 2.986 3.067 . 0 0 "[ . 1 . 2]" 1
51 1 12 ILE HA 1 12 ILE HG13 3.780 . 4.160 2.933 2.894 2.998 . 0 0 "[ . 1 . 2]" 1
52 1 30 ILE HA 1 30 ILE HG13 4.090 . 4.500 3.019 2.408 3.105 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL HA 1 6 VAL MG2 3.470 . 3.820 2.413 2.360 2.446 . 0 0 "[ . 1 . 2]" 1
54 1 13 VAL HA 1 13 VAL MG1 3.420 . 3.760 2.417 2.392 2.463 . 0 0 "[ . 1 . 2]" 1
55 1 53 VAL HA 1 53 VAL MG2 3.230 . 3.550 2.407 2.366 2.439 . 0 0 "[ . 1 . 2]" 1
56 1 26 LYS HB3 1 28 ARG H 4.190 . 4.610 2.898 2.614 3.377 . 0 0 "[ . 1 . 2]" 1
57 1 47 GLN H 1 47 GLN HB2 3.960 . 4.360 2.672 2.377 3.648 . 0 0 "[ . 1 . 2]" 1
58 1 9 ILE HB 1 9 ILE MD 3.390 . 3.730 2.457 2.436 2.472 . 0 0 "[ . 1 . 2]" 1
59 1 10 ILE HB 1 10 ILE MD 3.130 . 3.440 2.444 2.424 2.472 . 0 0 "[ . 1 . 2]" 1
60 1 12 ILE HB 1 30 ILE MG 4.220 . 4.640 3.004 2.658 3.754 . 0 0 "[ . 1 . 2]" 1
61 1 26 LYS HB3 1 26 LYS HD2 4.010 . 4.410 3.823 3.749 3.893 . 0 0 "[ . 1 . 2]" 1
62 1 47 GLN HA 1 47 GLN HG2 4.140 . 4.550 2.911 2.463 3.796 . 0 0 "[ . 1 . 2]" 1
63 1 8 LYS HA 1 8 LYS HG3 4.220 . 4.640 2.819 2.543 3.271 . 0 0 "[ . 1 . 2]" 1
64 1 15 GLU HA 1 15 GLU HG3 4.190 . 4.610 3.034 2.423 3.663 . 0 0 "[ . 1 . 2]" 1
65 1 15 GLU H 1 15 GLU HG2 4.700 . 5.170 4.513 4.383 4.617 . 0 0 "[ . 1 . 2]" 1
66 1 15 GLU H 1 15 GLU HG3 4.700 . 5.170 4.494 4.359 4.593 . 0 0 "[ . 1 . 2]" 1
67 1 40 GLN H 1 40 GLN HG3 4.560 . 5.020 4.433 3.813 4.504 . 0 0 "[ . 1 . 2]" 1
68 1 48 LEU HB2 1 54 LEU MD1 3.980 . 4.380 2.243 2.068 2.556 . 0 0 "[ . 1 . 2]" 1
69 1 40 GLN HG2 1 44 TYR QD 5.480 . 6.030 3.791 2.595 5.918 . 0 0 "[ . 1 . 2]" 1
70 1 40 GLN HG3 1 44 TYR QD 5.480 . 6.030 3.751 2.603 5.690 . 0 0 "[ . 1 . 2]" 1
71 1 10 ILE HG12 1 10 ILE MG 3.460 . 3.810 2.413 2.398 2.431 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE HG13 1 10 ILE MG 3.460 . 3.810 3.219 3.216 3.223 . 0 0 "[ . 1 . 2]" 1
73 1 17 GLN H 1 17 GLN HB3 3.960 . 4.360 3.441 2.514 3.631 . 0 0 "[ . 1 . 2]" 1
74 1 47 GLN H 1 47 GLN HB3 3.960 . 4.360 3.457 2.521 3.627 . 0 0 "[ . 1 . 2]" 1
75 1 55 GLU H 1 55 GLU QB 3.500 . 3.850 2.436 2.274 2.875 . 0 0 "[ . 1 . 2]" 1
76 1 69 LEU H 1 69 LEU HB3 3.820 . 4.200 2.943 2.517 3.345 . 0 0 "[ . 1 . 2]" 1
77 1 43 LEU H 1 44 TYR QB 4.370 . 4.810 4.734 4.652 4.823 0.013 15 0 "[ . 1 . 2]" 1
78 1 26 LYS HB3 1 26 LYS HD3 4.010 . 4.410 3.642 3.546 3.735 . 0 0 "[ . 1 . 2]" 1
79 1 26 LYS QE 1 26 LYS HG3 3.570 . 3.930 2.532 2.371 2.988 . 0 0 "[ . 1 . 2]" 1
80 1 48 LEU MD2 1 53 VAL HB 3.800 . 4.180 2.816 2.291 3.182 . 0 0 "[ . 1 . 2]" 1
81 1 66 LEU HB2 1 66 LEU MD1 3.480 . 3.830 2.341 2.294 2.370 . 0 0 "[ . 1 . 2]" 1
82 1 48 LEU HB3 1 48 LEU MD2 3.470 . 3.820 2.392 2.369 2.408 . 0 0 "[ . 1 . 2]" 1
83 1 54 LEU HB2 1 54 LEU MD2 3.320 . 3.650 3.213 3.208 3.220 . 0 0 "[ . 1 . 2]" 1
84 1 26 LYS HB2 1 26 LYS HD3 2.920 . 3.210 2.409 2.278 2.555 . 0 0 "[ . 1 . 2]" 1
85 1 42 ARG HB3 1 42 ARG QD 3.480 . 3.830 2.802 2.337 3.335 . 0 0 "[ . 1 . 2]" 1
86 1 26 LYS HB2 1 26 LYS HD2 2.920 . 3.210 3.064 2.960 3.229 0.019 13 0 "[ . 1 . 2]" 1
87 1 42 ARG HB2 1 42 ARG QD 3.480 . 3.830 2.657 2.280 3.539 . 0 0 "[ . 1 . 2]" 1
88 1 63 VAL HB 1 64 PRO HD2 3.760 . 4.140 2.389 1.887 3.554 . 0 0 "[ . 1 . 2]" 1
89 1 12 ILE HB 1 12 ILE MD 3.510 . 3.860 2.399 2.372 2.425 . 0 0 "[ . 1 . 2]" 1
90 1 30 ILE HB 1 30 ILE MD 3.210 . 3.530 2.433 2.380 2.454 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE MD 1 10 ILE MG 2.400 . 2.640 1.953 1.926 1.993 . 0 0 "[ . 1 . 2]" 1
92 1 12 ILE MD 1 12 ILE MG 3.110 . 3.420 1.995 1.970 2.033 . 0 0 "[ . 1 . 2]" 1
93 1 66 LEU HA 1 66 LEU MD2 3.330 . 3.660 2.142 1.985 3.693 0.033 10 0 "[ . 1 . 2]" 1
94 1 9 ILE MD 1 9 ILE MG 2.400 . 2.640 1.939 1.913 1.956 . 0 0 "[ . 1 . 2]" 1
95 1 12 ILE MG 1 30 ILE MG 3.640 . 4.000 2.815 2.128 3.609 . 0 0 "[ . 1 . 2]" 1
96 1 30 ILE MD 1 30 ILE MG 3.100 . 3.410 2.025 1.932 3.253 . 0 0 "[ . 1 . 2]" 1
97 1 27 THR HA 1 27 THR MG 3.410 . 3.750 2.413 2.326 2.487 . 0 0 "[ . 1 . 2]" 1
98 1 9 ILE MG 1 13 VAL H 4.890 . 5.380 3.976 3.841 4.166 . 0 0 "[ . 1 . 2]" 1
99 1 12 ILE MG 1 34 ALA H 4.020 . 4.420 4.154 3.652 4.471 0.051 15 0 "[ . 1 . 2]" 1
100 1 25 VAL MG1 1 26 LYS H 3.400 . 3.740 2.263 1.882 2.825 . 0 0 "[ . 1 . 2]" 1
101 1 9 ILE MG 1 30 ILE MG 3.030 . 3.330 1.935 1.779 2.246 0.021 9 0 "[ . 1 . 2]" 1
102 1 30 ILE H 1 30 ILE MD 4.180 . 4.600 3.467 1.779 3.650 0.021 3 0 "[ . 1 . 2]" 1
103 1 17 GLN HA 1 19 MET H 5.230 . 5.750 4.136 3.737 4.716 . 0 0 "[ . 1 . 2]" 1
104 1 30 ILE HA 1 34 ALA H 5.500 . 6.050 3.922 3.469 4.357 . 0 0 "[ . 1 . 2]" 1
105 1 64 PRO HA 1 65 GLY H 3.500 . 3.850 2.768 2.166 3.585 . 0 0 "[ . 1 . 2]" 1
106 1 24 PRO HB2 1 25 VAL H 4.240 . 4.660 3.122 2.198 3.878 . 0 0 "[ . 1 . 2]" 1
107 1 50 ASP HB3 1 51 VAL H 4.190 . 4.610 2.939 2.361 4.061 . 0 0 "[ . 1 . 2]" 1
108 1 69 LEU HB3 1 70 LEU H 4.410 . 4.850 3.744 3.464 4.021 . 0 0 "[ . 1 . 2]" 1
109 1 24 PRO HB3 1 25 VAL H 4.330 . 4.760 3.675 2.913 4.303 . 0 0 "[ . 1 . 2]" 1
110 1 68 ARG HB2 1 69 LEU H 4.210 . 4.630 3.793 2.223 4.545 . 0 0 "[ . 1 . 2]" 1
111 1 25 VAL HB 1 26 LYS H 4.110 . 4.520 3.848 3.553 4.143 . 0 0 "[ . 1 . 2]" 1
112 1 28 ARG HG2 1 29 ASP H 5.170 . 5.690 4.621 3.693 5.284 . 0 0 "[ . 1 . 2]" 1
113 1 46 GLU QG 1 47 GLN H 4.970 . 5.470 3.985 3.205 4.563 . 0 0 "[ . 1 . 2]" 1
114 1 28 ARG HG3 1 29 ASP H 5.170 . 5.690 4.458 1.956 5.110 . 0 0 "[ . 1 . 2]" 1
115 1 28 ARG HA 1 38 ILE MD 3.360 . 3.700 2.474 1.898 3.097 . 0 0 "[ . 1 . 2]" 1
116 1 30 ILE HA 1 30 ILE MD 4.060 . 4.470 3.808 2.983 3.872 . 0 0 "[ . 1 . 2]" 1
117 1 54 LEU HA 1 54 LEU MD2 3.490 . 3.840 2.030 1.959 2.129 . 0 0 "[ . 1 . 2]" 1
118 1 66 LEU HA 1 66 LEU MD1 4.010 . 4.410 3.845 3.078 3.903 . 0 0 "[ . 1 . 2]" 1
119 1 70 LEU HA 1 70 LEU MD2 3.560 . 3.920 2.791 1.937 3.640 . 0 0 "[ . 1 . 2]" 1
120 1 36 LEU HA 1 36 LEU MD2 3.220 . 3.540 2.065 2.020 2.117 . 0 0 "[ . 1 . 2]" 1
121 1 45 LEU HA 1 45 LEU MD2 3.550 . 3.900 2.020 1.939 2.068 . 0 0 "[ . 1 . 2]" 1
122 1 54 LEU MD2 1 69 LEU HA 3.260 . 3.590 2.430 1.946 2.794 . 0 0 "[ . 1 . 2]" 1
123 1 13 VAL HA 1 25 VAL MG2 3.830 . 4.210 2.097 1.777 3.132 0.023 8 0 "[ . 1 . 2]" 1
124 1 27 THR HA 1 30 ILE H 5.020 . 5.520 3.734 3.494 4.059 . 0 0 "[ . 1 . 2]" 1
125 1 26 LYS HA 1 27 THR HA 5.230 . 5.750 4.373 4.299 4.418 . 0 0 "[ . 1 . 2]" 1
126 1 27 THR HA 1 30 ILE HB 4.230 . 4.650 3.119 2.693 4.016 . 0 0 "[ . 1 . 2]" 1
127 1 6 VAL HA 1 9 ILE MD 3.780 . 4.160 2.636 1.985 3.283 . 0 0 "[ . 1 . 2]" 1
128 1 10 ILE HA 1 13 VAL HB 4.030 . 4.430 2.975 2.681 3.312 . 0 0 "[ . 1 . 2]" 1
129 1 7 THR HA 1 10 ILE H 4.720 . 5.190 3.498 3.316 3.791 . 0 0 "[ . 1 . 2]" 1
130 1 41 VAL HA 1 44 TYR H 4.030 . 4.430 3.517 3.241 3.756 . 0 0 "[ . 1 . 2]" 1
131 1 41 VAL HA 1 44 TYR QE 5.350 . 5.890 4.322 3.671 4.960 . 0 0 "[ . 1 . 2]" 1
132 1 41 VAL HA 1 44 TYR QB 4.280 . 4.710 2.971 2.541 3.327 . 0 0 "[ . 1 . 2]" 1
133 1 9 ILE MD 1 41 VAL HA 4.220 . 4.640 3.162 2.592 3.884 . 0 0 "[ . 1 . 2]" 1
134 1 7 THR HA 1 10 ILE MD 3.580 . 3.940 2.482 2.168 2.905 . 0 0 "[ . 1 . 2]" 1
135 1 9 ILE HA 1 12 ILE HB 3.830 . 4.210 2.743 2.452 2.947 . 0 0 "[ . 1 . 2]" 1
136 1 9 ILE HA 1 12 ILE MG 4.630 . 5.090 4.019 3.788 4.204 . 0 0 "[ . 1 . 2]" 1
137 1 9 ILE HA 1 13 VAL MG2 4.900 . 5.390 4.018 3.632 4.243 . 0 0 "[ . 1 . 2]" 1
138 1 9 ILE HA 1 34 ALA MB 4.950 . 5.440 3.627 3.324 4.208 . 0 0 "[ . 1 . 2]" 1
139 1 37 SER HB3 1 39 TYR H 4.820 . 5.300 3.686 3.039 4.959 . 0 0 "[ . 1 . 2]" 1
140 1 12 ILE HA 1 15 GLU HB3 4.010 . 4.410 2.630 2.219 3.248 . 0 0 "[ . 1 . 2]" 1
141 1 12 ILE MG 1 30 ILE HA 3.360 . 3.700 2.105 1.759 2.642 0.041 20 0 "[ . 1 . 2]" 1
142 1 38 ILE HA 1 42 ARG H 5.230 . 5.750 4.049 3.771 4.533 . 0 0 "[ . 1 . 2]" 1
143 1 38 ILE HA 1 41 VAL HB 4.260 . 4.690 2.931 2.513 3.198 . 0 0 "[ . 1 . 2]" 1
144 1 38 ILE HA 1 41 VAL MG1 4.510 . 4.960 4.210 3.836 4.465 . 0 0 "[ . 1 . 2]" 1
145 1 53 VAL HA 1 70 LEU HG 4.680 . 5.150 4.106 2.864 4.988 . 0 0 "[ . 1 . 2]" 1
146 1 5 ILE HA 1 8 LYS HB2 4.670 . 5.140 3.430 2.762 4.626 . 0 0 "[ . 1 . 2]" 1
147 1 5 ILE HA 1 8 LYS HB3 4.670 . 5.140 2.894 2.354 4.460 . 0 0 "[ . 1 . 2]" 1
148 1 11 SER HA 1 15 GLU HB2 4.430 . 4.870 4.797 4.457 4.955 0.085 20 0 "[ . 1 . 2]" 1
149 1 10 ILE MG 1 11 SER HA 4.280 . 4.710 3.477 3.237 3.596 . 0 0 "[ . 1 . 2]" 1
150 1 24 PRO HB2 1 25 VAL HA 4.960 . 5.460 4.763 4.427 5.007 . 0 0 "[ . 1 . 2]" 1
151 1 25 VAL HA 1 26 LYS HB2 5.410 . 5.950 4.710 4.542 4.920 . 0 0 "[ . 1 . 2]" 1
152 1 25 VAL HA 1 26 LYS HG3 5.500 . 6.050 4.754 4.159 5.243 . 0 0 "[ . 1 . 2]" 1
153 1 39 TYR HA 1 42 ARG QD 5.020 . 5.520 3.394 2.030 5.555 0.035 2 0 "[ . 1 . 2]" 1
154 1 38 ILE MG 1 39 TYR HA 4.490 . 4.940 3.310 3.139 3.498 . 0 0 "[ . 1 . 2]" 1
155 1 42 ARG HA 1 45 LEU HG 4.860 . 5.350 3.326 2.406 3.988 . 0 0 "[ . 1 . 2]" 1
156 1 27 THR MG 1 42 ARG HA 4.820 . 5.300 3.290 2.407 3.868 . 0 0 "[ . 1 . 2]" 1
157 1 46 GLU HA 1 67 TRP HH2 4.630 . 5.090 2.897 2.235 4.342 . 0 0 "[ . 1 . 2]" 1
158 1 46 GLU HA 1 49 HIS HB2 4.360 . 4.800 3.456 2.951 4.148 . 0 0 "[ . 1 . 2]" 1
159 1 46 GLU HA 1 49 HIS HB3 4.360 . 4.800 2.661 2.163 3.464 . 0 0 "[ . 1 . 2]" 1
160 1 47 GLN HA 1 50 ASP HB2 4.410 . 4.850 3.032 2.645 3.880 . 0 0 "[ . 1 . 2]" 1
161 1 17 GLN HA 1 25 VAL MG2 4.190 . 4.610 3.964 2.630 4.694 0.084 14 0 "[ . 1 . 2]" 1
162 1 15 GLU HA 1 18 ASN HD22 4.990 . 5.490 4.075 2.679 5.497 0.007 4 0 "[ . 1 . 2]" 1
163 1 15 GLU HA 1 18 ASN HB2 4.280 . 4.710 2.802 2.461 3.382 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLU HA 1 18 ASN HB3 4.280 . 4.710 4.082 2.367 4.737 0.027 2 0 "[ . 1 . 2]" 1
165 1 28 ARG HA 1 32 ASP H 5.120 . 5.630 4.071 3.681 4.529 . 0 0 "[ . 1 . 2]" 1
166 1 28 ARG HA 1 31 ALA MB 3.540 . 3.890 2.743 2.429 3.242 . 0 0 "[ . 1 . 2]" 1
167 1 27 THR MG 1 28 ARG HA 4.310 . 4.740 3.578 3.350 3.798 . 0 0 "[ . 1 . 2]" 1
168 1 63 VAL HA 1 64 PRO HD2 3.590 . 3.950 2.491 2.096 2.881 . 0 0 "[ . 1 . 2]" 1
169 1 49 HIS HA 1 54 LEU HB2 4.490 . 4.940 2.870 2.493 3.411 . 0 0 "[ . 1 . 2]" 1
170 1 49 HIS HA 1 53 VAL MG1 5.500 . 6.050 5.372 5.181 5.844 . 0 0 "[ . 1 . 2]" 1
171 1 49 HIS HA 1 54 LEU MD2 5.500 . 6.050 5.200 4.950 5.528 . 0 0 "[ . 1 . 2]" 1
172 1 49 HIS HA 1 54 LEU MD1 4.510 . 4.960 4.578 4.164 5.011 0.051 5 0 "[ . 1 . 2]" 1
173 1 16 ARG HA 1 18 ASN H 4.810 . 5.290 4.185 3.732 4.756 . 0 0 "[ . 1 . 2]" 1
174 1 16 ARG HA 1 19 MET QB 3.920 . 4.310 2.986 2.464 3.688 . 0 0 "[ . 1 . 2]" 1
175 1 43 LEU HA 1 46 GLU HB3 4.620 . 5.080 3.975 2.603 5.093 0.013 11 0 "[ . 1 . 2]" 1
176 1 39 TYR QD 1 40 GLN HA 4.990 . 5.490 3.614 3.143 4.007 . 0 0 "[ . 1 . 2]" 1
177 1 40 GLN HA 1 43 LEU MD1 3.940 . 4.330 2.359 2.056 2.833 . 0 0 "[ . 1 . 2]" 1
178 1 45 LEU HA 1 48 LEU HB2 4.410 . 4.850 2.626 2.350 2.867 . 0 0 "[ . 1 . 2]" 1
179 1 45 LEU HA 1 48 LEU HG 4.850 . 5.330 3.561 3.171 3.921 . 0 0 "[ . 1 . 2]" 1
180 1 45 LEU HA 1 48 LEU HB3 4.640 . 5.100 4.228 3.942 4.477 . 0 0 "[ . 1 . 2]" 1
181 1 45 LEU HA 1 54 LEU MD1 3.690 . 4.060 2.366 2.077 2.753 . 0 0 "[ . 1 . 2]" 1
182 1 9 ILE MG 1 45 LEU HA 5.080 . 5.590 3.972 3.482 4.335 . 0 0 "[ . 1 . 2]" 1
183 1 48 LEU HA 1 54 LEU HG 4.930 . 5.420 4.593 4.296 4.933 . 0 0 "[ . 1 . 2]" 1
184 1 48 LEU HA 1 53 VAL MG2 4.360 . 4.800 3.221 3.129 3.415 . 0 0 "[ . 1 . 2]" 1
185 1 31 ALA HA 1 41 VAL HB 4.400 . 4.840 4.236 3.779 4.607 . 0 0 "[ . 1 . 2]" 1
186 1 31 ALA HA 1 36 LEU HB2 5.010 . 5.510 3.178 2.614 3.899 . 0 0 "[ . 1 . 2]" 1
187 1 31 ALA HA 1 34 ALA MB 3.890 . 4.280 2.971 2.228 3.557 . 0 0 "[ . 1 . 2]" 1
188 1 30 ILE MG 1 31 ALA HA 4.290 . 4.720 3.463 3.110 3.631 . 0 0 "[ . 1 . 2]" 1
189 1 56 LYS HA 1 67 TRP HA 4.270 . 4.700 3.329 2.577 4.050 . 0 0 "[ . 1 . 2]" 1
190 1 21 ASP HA 1 23 ALA H 4.550 . 5.010 4.267 3.689 4.907 . 0 0 "[ . 1 . 2]" 1
191 1 56 LYS HA 1 57 VAL MG2 4.680 . 5.150 3.724 3.423 3.955 . 0 0 "[ . 1 . 2]" 1
192 1 56 LYS HA 1 67 TRP HE3 4.890 . 5.380 3.596 2.744 4.539 . 0 0 "[ . 1 . 2]" 1
193 1 12 ILE MD 1 33 ALA HA 4.990 . 5.490 4.269 3.983 4.954 . 0 0 "[ . 1 . 2]" 1
194 1 12 ILE MD 1 34 ALA HA 3.540 . 3.890 2.728 2.248 3.229 . 0 0 "[ . 1 . 2]" 1
195 1 8 LYS QD 1 34 ALA HA 4.540 . 4.990 3.454 2.443 4.811 . 0 0 "[ . 1 . 2]" 1
196 1 33 ALA MB 1 34 ALA HA 4.390 . 4.830 3.923 3.812 4.014 . 0 0 "[ . 1 . 2]" 1
197 1 53 VAL HB 1 54 LEU HA 5.260 . 5.790 4.516 4.415 4.648 . 0 0 "[ . 1 . 2]" 1
198 1 54 LEU HA 1 55 GLU QB 5.460 . 6.010 4.054 3.846 4.409 . 0 0 "[ . 1 . 2]" 1
199 1 23 ALA HA 1 24 PRO HD2 3.460 . 3.810 2.251 1.819 2.911 . 0 0 "[ . 1 . 2]" 1
200 1 63 VAL MG1 1 64 PRO HD2 4.260 . 4.690 3.358 3.119 3.864 . 0 0 "[ . 1 . 2]" 1
201 1 63 VAL MG1 1 64 PRO HD3 4.260 . 4.690 3.893 3.505 4.237 . 0 0 "[ . 1 . 2]" 1
202 1 63 VAL MG2 1 64 PRO HD3 4.610 . 5.070 4.527 4.206 4.829 . 0 0 "[ . 1 . 2]" 1
203 1 63 VAL HA 1 64 PRO HD3 3.590 . 3.950 2.262 1.913 2.587 . 0 0 "[ . 1 . 2]" 1
204 1 23 ALA MB 1 24 PRO HD2 3.820 . 4.200 2.870 2.178 3.411 . 0 0 "[ . 1 . 2]" 1
205 1 24 PRO HD2 1 57 VAL MG1 5.500 . 6.050 4.898 3.643 6.112 0.062 14 0 "[ . 1 . 2]" 1
206 1 24 PRO HD2 1 66 LEU MD1 5.500 . 6.050 3.800 1.974 5.470 . 0 0 "[ . 1 . 2]" 1
207 1 24 PRO HD3 1 57 VAL MG1 5.500 . 6.050 4.267 3.295 5.461 . 0 0 "[ . 1 . 2]" 1
208 1 24 PRO HD3 1 66 LEU MD1 5.500 . 6.050 4.398 3.319 6.086 0.036 10 0 "[ . 1 . 2]" 1
209 1 23 ALA HA 1 24 PRO HD3 3.460 . 3.810 2.341 1.806 2.722 . 0 0 "[ . 1 . 2]" 1
210 1 23 ALA H 1 24 PRO HD3 5.330 . 5.860 4.635 4.037 5.147 . 0 0 "[ . 1 . 2]" 1
211 1 54 LEU HA 1 69 LEU HA 3.790 . 4.170 2.137 1.774 2.563 0.026 2 0 "[ . 1 . 2]" 1
212 1 31 ALA HA 1 36 LEU HB3 5.010 . 5.510 4.805 4.199 5.528 0.018 10 0 "[ . 1 . 2]" 1
213 1 36 LEU HB2 1 41 VAL HB 5.500 . 6.050 4.709 4.547 4.979 . 0 0 "[ . 1 . 2]" 1
214 1 36 LEU HB3 1 41 VAL HB 5.500 . 6.050 5.350 5.171 5.607 . 0 0 "[ . 1 . 2]" 1
215 1 54 LEU HB3 1 67 TRP HE3 4.330 . 4.760 2.619 2.145 4.083 . 0 0 "[ . 1 . 2]" 1
216 1 54 LEU HB2 1 67 TRP HE3 4.630 . 5.090 3.281 2.897 4.644 . 0 0 "[ . 1 . 2]" 1
217 1 49 HIS HA 1 54 LEU HB3 5.130 . 5.640 4.278 3.892 4.790 . 0 0 "[ . 1 . 2]" 1
218 1 24 PRO HB2 1 66 LEU HB3 4.230 . 4.650 1.922 1.768 2.357 0.032 14 0 "[ . 1 . 2]" 1
219 1 64 PRO HA 1 65 GLY HA2 5.360 . 5.900 4.702 4.367 5.350 . 0 0 "[ . 1 . 2]" 1
220 1 64 PRO HA 1 65 GLY HA3 5.360 . 5.900 4.529 4.372 4.753 . 0 0 "[ . 1 . 2]" 1
221 1 60 GLY HA3 1 63 VAL MG2 4.660 . 5.130 3.874 3.033 4.498 . 0 0 "[ . 1 . 2]" 1
222 1 60 GLY HA2 1 63 VAL MG2 4.660 . 5.130 4.025 2.473 5.217 0.087 6 0 "[ . 1 . 2]" 1
223 1 57 VAL MG2 1 68 ARG HD3 4.550 . 5.010 2.802 1.985 3.787 . 0 0 "[ . 1 . 2]" 1
224 1 57 VAL MG1 1 68 ARG HD2 4.940 . 5.430 4.850 4.006 5.530 0.100 6 0 "[ . 1 . 2]" 1
225 1 57 VAL MG2 1 68 ARG HD2 4.550 . 5.010 3.345 2.688 3.988 . 0 0 "[ . 1 . 2]" 1
226 1 57 VAL MG1 1 68 ARG HD3 4.940 . 5.430 4.494 3.245 5.426 . 0 0 "[ . 1 . 2]" 1
227 1 27 THR MG 1 42 ARG QD 4.380 . 4.820 3.183 1.787 4.475 0.013 14 0 "[ . 1 . 2]" 1
228 1 41 VAL MG1 1 42 ARG QD 5.380 . 5.920 5.409 3.886 5.990 0.070 12 0 "[ . 1 . 2]" 1
229 1 38 ILE MG 1 42 ARG QD 3.960 . 4.360 3.132 2.284 4.156 . 0 0 "[ . 1 . 2]" 1
230 1 42 ARG HA 1 42 ARG QD 4.400 . 4.840 3.739 1.924 4.580 . 0 0 "[ . 1 . 2]" 1
231 1 28 ARG HD3 1 38 ILE MD 4.470 . 4.920 3.730 1.891 4.947 0.027 7 0 "[ . 1 . 2]" 1
232 1 28 ARG HD2 1 38 ILE MD 4.470 . 4.920 3.452 1.981 4.966 0.046 20 0 "[ . 1 . 2]" 1
233 1 28 ARG HA 1 28 ARG HD2 4.740 . 5.210 3.427 2.047 4.694 . 0 0 "[ . 1 . 2]" 1
234 1 55 GLU QB 1 70 LEU QB 4.620 . 5.080 4.053 2.626 5.125 0.045 6 0 "[ . 1 . 2]" 1
235 1 8 LYS QE 1 34 ALA MB 4.610 . 5.070 3.865 2.977 5.033 . 0 0 "[ . 1 . 2]" 1
236 1 8 LYS QE 1 12 ILE MD 4.290 . 4.720 3.009 1.994 4.743 0.023 15 0 "[ . 1 . 2]" 1
237 1 8 LYS QE 1 34 ALA HA 4.350 . 4.790 3.186 1.963 4.837 0.047 16 0 "[ . 1 . 2]" 1
238 1 48 LEU HB2 1 54 LEU HG 4.610 . 5.070 2.904 2.484 3.385 . 0 0 "[ . 1 . 2]" 1
239 1 48 LEU HB3 1 54 LEU HG 4.250 . 4.680 2.175 1.969 2.634 . 0 0 "[ . 1 . 2]" 1
240 1 48 LEU HB3 1 54 LEU MD2 5.030 . 5.530 3.797 3.425 4.183 . 0 0 "[ . 1 . 2]" 1
241 1 48 LEU HB2 1 53 VAL MG1 5.180 . 5.700 4.325 4.082 4.553 . 0 0 "[ . 1 . 2]" 1
242 1 48 LEU HB2 1 54 LEU MD2 5.500 . 6.050 4.333 3.866 4.721 . 0 0 "[ . 1 . 2]" 1
243 1 16 ARG HD3 1 25 VAL MG1 4.700 . 5.170 4.175 2.828 4.946 . 0 0 "[ . 1 . 2]" 1
244 1 16 ARG HD2 1 25 VAL MG1 4.700 . 5.170 4.109 3.541 4.865 . 0 0 "[ . 1 . 2]" 1
245 1 16 ARG HA 1 16 ARG HD2 4.070 . 4.480 2.891 1.929 4.027 . 0 0 "[ . 1 . 2]" 1
246 1 16 ARG HA 1 16 ARG HD3 4.070 . 4.480 2.847 1.957 3.758 . 0 0 "[ . 1 . 2]" 1
247 1 26 LYS HB3 1 26 LYS QE 4.690 . 5.160 4.445 4.224 4.546 . 0 0 "[ . 1 . 2]" 1
248 1 26 LYS QE 1 66 LEU MD2 4.310 . 4.740 2.979 2.191 4.400 . 0 0 "[ . 1 . 2]" 1
249 1 47 GLN HA 1 50 ASP HB3 4.410 . 4.850 3.094 2.143 4.872 0.022 6 0 "[ . 1 . 2]" 1
250 1 50 ASP HB2 1 51 VAL MG1 4.400 . 4.840 4.259 2.967 4.792 . 0 0 "[ . 1 . 2]" 1
251 1 50 ASP HB3 1 51 VAL MG1 4.400 . 4.840 3.292 2.846 4.113 . 0 0 "[ . 1 . 2]" 1
252 1 29 ASP HA 1 32 ASP HB3 4.370 . 4.810 3.504 2.173 4.847 0.037 3 0 "[ . 1 . 2]" 1
253 1 20 ASP HB2 1 23 ALA MB 4.050 . 4.460 2.804 1.762 3.452 0.038 17 0 "[ . 1 . 2]" 1
254 1 26 LYS HB2 1 29 ASP HB3 4.990 . 5.490 4.131 2.141 5.139 . 0 0 "[ . 1 . 2]" 1
255 1 26 LYS HB2 1 29 ASP HB2 4.990 . 5.490 3.153 2.058 5.023 . 0 0 "[ . 1 . 2]" 1
256 1 25 VAL MG1 1 29 ASP HB3 4.510 . 4.960 3.530 2.636 4.964 0.004 2 0 "[ . 1 . 2]" 1
257 1 25 VAL MG1 1 29 ASP HB2 4.510 . 4.960 3.205 1.988 4.852 . 0 0 "[ . 1 . 2]" 1
258 1 44 TYR QB 1 45 LEU HG 4.810 . 5.290 3.408 3.144 3.712 . 0 0 "[ . 1 . 2]" 1
259 1 36 LEU MD1 1 44 TYR QB 5.000 . 5.500 4.547 3.790 5.215 . 0 0 "[ . 1 . 2]" 1
260 1 58 ASN QB 1 63 VAL MG2 5.260 . 5.790 3.254 1.786 5.205 0.014 12 0 "[ . 1 . 2]" 1
261 1 6 VAL MG1 1 44 TYR QB 4.780 . 5.260 3.634 2.657 4.758 . 0 0 "[ . 1 . 2]" 1
262 1 41 VAL MG1 1 44 TYR QB 5.100 . 5.610 3.643 3.186 4.055 . 0 0 "[ . 1 . 2]" 1
263 1 7 THR HA 1 10 ILE HB 4.250 . 4.680 2.784 2.426 3.417 . 0 0 "[ . 1 . 2]" 1
264 1 6 VAL HA 1 9 ILE HB 3.920 . 4.310 2.907 2.319 3.471 . 0 0 "[ . 1 . 2]" 1
265 1 55 GLU HG2 1 70 LEU MD2 4.920 . 5.410 4.042 3.012 5.094 . 0 0 "[ . 1 . 2]" 1
266 1 55 GLU HG3 1 70 LEU MD2 4.920 . 5.410 4.385 3.461 5.241 . 0 0 "[ . 1 . 2]" 1
267 1 43 LEU HA 1 46 GLU QG 4.600 . 5.060 4.180 2.846 5.081 0.021 10 0 "[ . 1 . 2]" 1
268 1 24 PRO HA 1 68 ARG HB3 5.500 . 6.050 4.434 2.479 5.567 . 0 0 "[ . 1 . 2]" 1
269 1 24 PRO HA 1 68 ARG HB2 5.500 . 6.050 3.809 2.351 5.255 . 0 0 "[ . 1 . 2]" 1
270 1 55 GLU QB 1 68 ARG HB3 4.710 . 5.180 3.483 2.095 5.050 . 0 0 "[ . 1 . 2]" 1
271 1 55 GLU QB 1 68 ARG HB2 4.710 . 5.180 4.098 1.807 5.288 0.108 19 0 "[ . 1 . 2]" 1
272 1 57 VAL MG2 1 68 ARG HB2 4.740 . 5.210 2.989 1.891 4.447 . 0 0 "[ . 1 . 2]" 1
273 1 57 VAL MG2 1 68 ARG HB3 4.740 . 5.210 2.919 2.137 4.204 . 0 0 "[ . 1 . 2]" 1
274 1 17 GLN QG 1 24 PRO HA 4.830 . 5.310 4.294 3.215 5.348 0.038 14 0 "[ . 1 . 2]" 1
275 1 36 LEU MD1 1 40 GLN HG3 4.950 . 5.440 3.839 2.363 5.051 . 0 0 "[ . 1 . 2]" 1
276 1 36 LEU MD1 1 40 GLN HG2 4.950 . 5.440 3.218 2.555 5.334 . 0 0 "[ . 1 . 2]" 1
277 1 11 SER HA 1 14 GLN QG 4.950 . 5.440 4.400 3.660 4.849 . 0 0 "[ . 1 . 2]" 1
278 1 14 GLN QG 1 69 LEU MD2 3.810 . 4.190 3.177 2.372 3.820 . 0 0 "[ . 1 . 2]" 1
279 1 26 LYS HB2 1 26 LYS QE 4.890 . 5.380 4.084 3.861 4.181 . 0 0 "[ . 1 . 2]" 1
280 1 54 LEU MD1 1 67 TRP HB2 4.570 . 5.030 3.647 2.963 4.568 . 0 0 "[ . 1 . 2]" 1
281 1 54 LEU MD1 1 67 TRP HB3 4.570 . 5.030 2.548 1.915 3.378 . 0 0 "[ . 1 . 2]" 1
282 1 48 LEU HB3 1 53 VAL HB 3.970 . 4.370 2.142 1.926 2.334 . 0 0 "[ . 1 . 2]" 1
283 1 24 PRO HB3 1 66 LEU HB3 4.470 . 4.920 3.408 2.977 3.771 . 0 0 "[ . 1 . 2]" 1
284 1 24 PRO HB2 1 57 VAL MG2 4.270 . 4.700 3.448 2.996 3.961 . 0 0 "[ . 1 . 2]" 1
285 1 59 ALA MB 1 63 VAL HB 4.810 . 5.290 4.412 3.237 5.501 0.211 7 0 "[ . 1 . 2]" 1
286 1 63 VAL HB 1 64 PRO HD3 3.760 . 4.140 3.591 3.017 4.162 0.022 17 0 "[ . 1 . 2]" 1
287 1 24 PRO HB2 1 57 VAL HB 4.730 . 5.200 3.491 2.946 4.129 . 0 0 "[ . 1 . 2]" 1
288 1 57 VAL HB 1 66 LEU HB2 4.050 . 4.460 1.953 1.746 2.489 0.054 12 0 "[ . 1 . 2]" 1
289 1 57 VAL HB 1 66 LEU HB3 4.390 . 4.830 3.068 2.546 3.602 . 0 0 "[ . 1 . 2]" 1
290 1 16 ARG HA 1 19 MET HG2 5.030 . 5.530 3.243 1.761 5.109 0.039 3 0 "[ . 1 . 2]" 1
291 1 16 ARG HA 1 19 MET HG3 5.030 . 5.530 3.375 2.442 4.530 . 0 0 "[ . 1 . 2]" 1
292 1 48 LEU HA 1 51 VAL HB 5.190 . 5.710 4.864 4.688 5.058 . 0 0 "[ . 1 . 2]" 1
293 1 41 VAL HB 1 42 ARG HA 4.260 . 4.690 4.320 4.249 4.436 . 0 0 "[ . 1 . 2]" 1
294 1 14 GLN HB3 1 69 LEU MD2 4.230 . 4.650 3.898 3.284 4.448 . 0 0 "[ . 1 . 2]" 1
295 1 14 GLN HB2 1 69 LEU MD2 4.230 . 4.650 2.612 1.947 3.216 . 0 0 "[ . 1 . 2]" 1
296 1 10 ILE H 1 10 ILE HG12 4.120 . 4.530 3.303 3.244 3.375 . 0 0 "[ . 1 . 2]" 1
297 1 8 LYS HA 1 8 LYS QD 4.240 . 4.660 3.417 2.012 4.299 . 0 0 "[ . 1 . 2]" 1
298 1 9 ILE HA 1 9 ILE HG13 4.210 . 4.630 2.995 2.927 3.044 . 0 0 "[ . 1 . 2]" 1
299 1 54 LEU MD1 1 67 TRP HE3 4.440 . 4.880 3.144 2.458 3.793 . 0 0 "[ . 1 . 2]" 1
300 1 48 LEU HG 1 54 LEU MD1 5.050 . 5.560 3.981 3.819 4.411 . 0 0 "[ . 1 . 2]" 1
301 1 53 VAL HB 1 54 LEU MD1 5.290 . 5.820 4.305 4.189 4.444 . 0 0 "[ . 1 . 2]" 1
302 1 48 LEU HB3 1 54 LEU MD1 4.220 . 4.640 2.930 2.822 3.123 . 0 0 "[ . 1 . 2]" 1
303 1 53 VAL HB 1 54 LEU HG 4.700 . 5.170 2.920 2.701 3.062 . 0 0 "[ . 1 . 2]" 1
304 1 16 ARG HG3 1 25 VAL MG1 4.320 . 4.750 2.141 1.785 2.501 0.015 13 0 "[ . 1 . 2]" 1
305 1 24 PRO HG3 1 66 LEU MD1 4.370 . 4.810 2.991 2.437 4.326 . 0 0 "[ . 1 . 2]" 1
306 1 24 PRO HG2 1 66 LEU MD1 4.370 . 4.810 2.202 1.808 3.894 . 0 0 "[ . 1 . 2]" 1
307 1 48 LEU HG 1 53 VAL MG2 4.400 . 4.840 4.853 4.773 4.906 0.066 19 0 "[ . 1 . 2]" 1
308 1 16 ARG HG2 1 25 VAL MG1 4.220 . 4.640 3.392 3.030 3.865 . 0 0 "[ . 1 . 2]" 1
309 1 42 ARG HA 1 45 LEU MD1 3.920 . 4.310 2.440 1.931 3.245 . 0 0 "[ . 1 . 2]" 1
310 1 45 LEU MD1 1 67 TRP HD1 5.020 . 5.520 2.883 2.493 3.458 . 0 0 "[ . 1 . 2]" 1
311 1 27 THR MG 1 45 LEU MD1 3.700 . 4.070 2.279 1.850 2.695 . 0 0 "[ . 1 . 2]" 1
312 1 30 ILE MG 1 45 LEU MD1 3.870 . 4.260 3.019 2.588 3.655 . 0 0 "[ . 1 . 2]" 1
313 1 30 ILE MD 1 45 LEU MD1 3.720 . 4.090 2.102 1.841 2.963 . 0 0 "[ . 1 . 2]" 1
314 1 36 LEU MD1 1 41 VAL HA 4.160 . 4.580 3.616 3.199 3.935 . 0 0 "[ . 1 . 2]" 1
315 1 26 LYS HG3 1 66 LEU MD1 4.010 . 4.410 4.071 3.667 4.422 0.012 3 0 "[ . 1 . 2]" 1
316 1 26 LYS HG3 1 66 LEU MD2 4.010 . 4.410 2.145 1.893 2.781 . 0 0 "[ . 1 . 2]" 1
317 1 26 LYS HG2 1 66 LEU MD2 3.960 . 4.360 3.479 3.164 4.247 . 0 0 "[ . 1 . 2]" 1
318 1 45 LEU HA 1 48 LEU MD1 4.260 . 4.690 2.562 2.253 2.833 . 0 0 "[ . 1 . 2]" 1
319 1 54 LEU MD2 1 70 LEU H 4.370 . 4.810 3.997 3.579 4.638 . 0 0 "[ . 1 . 2]" 1
320 1 24 PRO HB2 1 66 LEU MD2 3.420 . 3.760 3.403 2.755 3.803 0.043 2 0 "[ . 1 . 2]" 1
321 1 66 LEU H 1 66 LEU MD2 4.660 . 5.130 3.579 3.260 4.271 . 0 0 "[ . 1 . 2]" 1
322 1 41 VAL HA 1 41 VAL MG2 3.410 . 3.750 2.371 2.325 2.400 . 0 0 "[ . 1 . 2]" 1
323 1 31 ALA HA 1 41 VAL MG2 3.560 . 3.920 1.940 1.767 2.217 0.033 5 0 "[ . 1 . 2]" 1
324 1 69 LEU HA 1 69 LEU MD1 3.930 . 4.320 3.680 3.627 4.097 . 0 0 "[ . 1 . 2]" 1
325 1 41 VAL MG2 1 44 TYR QD 4.980 . 5.480 3.924 3.257 4.717 . 0 0 "[ . 1 . 2]" 1
326 1 14 GLN QG 1 69 LEU MD1 4.400 . 4.840 4.304 3.513 4.927 0.087 14 0 "[ . 1 . 2]" 1
327 1 26 LYS HB3 1 66 LEU MD2 4.200 . 4.620 3.647 3.219 4.322 . 0 0 "[ . 1 . 2]" 1
328 1 55 GLU QB 1 70 LEU MD2 3.690 . 4.060 2.111 1.780 2.671 0.020 10 0 "[ . 1 . 2]" 1
329 1 10 ILE HA 1 13 VAL MG2 4.550 . 5.010 2.914 2.590 3.329 . 0 0 "[ . 1 . 2]" 1
330 1 9 ILE HB 1 13 VAL MG2 4.960 . 5.460 4.663 4.421 4.897 . 0 0 "[ . 1 . 2]" 1
331 1 13 VAL MG2 1 14 GLN H 4.840 . 5.320 3.766 3.699 3.859 . 0 0 "[ . 1 . 2]" 1
332 1 31 ALA HA 1 41 VAL MG1 3.670 . 4.040 3.240 2.498 3.836 . 0 0 "[ . 1 . 2]" 1
333 1 41 VAL MG1 1 42 ARG HA 4.080 . 4.490 3.410 3.123 3.725 . 0 0 "[ . 1 . 2]" 1
334 1 6 VAL MG2 1 44 TYR QE 4.380 . 4.820 3.002 2.031 3.741 . 0 0 "[ . 1 . 2]" 1
335 1 53 VAL MG2 1 54 LEU H 4.870 . 5.360 3.788 3.682 3.895 . 0 0 "[ . 1 . 2]" 1
336 1 48 LEU HA 1 51 VAL MG2 3.340 . 3.670 1.942 1.784 2.154 0.016 4 0 "[ . 1 . 2]" 1
337 1 51 VAL MG2 1 53 VAL HB 4.110 . 4.520 3.187 3.004 3.462 . 0 0 "[ . 1 . 2]" 1
338 1 48 LEU MD2 1 51 VAL MG2 3.440 . 3.780 2.631 2.474 2.910 . 0 0 "[ . 1 . 2]" 1
339 1 51 VAL MG2 1 53 VAL MG2 3.220 . 3.540 1.795 1.746 1.966 0.054 11 0 "[ . 1 . 2]" 1
340 1 12 ILE MG 1 34 ALA MB 4.360 . 4.800 4.066 3.476 4.372 . 0 0 "[ . 1 . 2]" 1
341 1 12 ILE MD 1 34 ALA MB 3.020 . 3.320 2.177 1.946 2.601 . 0 0 "[ . 1 . 2]" 1
342 1 8 LYS QD 1 34 ALA MB 4.250 . 4.680 3.711 2.140 4.758 0.078 11 0 "[ . 1 . 2]" 1
343 1 34 ALA MB 1 36 LEU HG 3.490 . 3.840 2.506 2.200 3.013 . 0 0 "[ . 1 . 2]" 1
344 1 30 ILE MG 1 33 ALA MB 4.080 . 4.490 3.981 3.510 4.446 . 0 0 "[ . 1 . 2]" 1
345 1 27 THR MG 1 30 ILE MG 4.530 . 4.980 4.480 4.169 4.982 0.002 9 0 "[ . 1 . 2]" 1
346 1 30 ILE MG 1 34 ALA MB 4.660 . 5.130 2.931 2.666 3.298 . 0 0 "[ . 1 . 2]" 1
347 1 30 ILE MG 1 41 VAL MG2 3.680 . 4.050 3.185 2.679 3.668 . 0 0 "[ . 1 . 2]" 1
348 1 9 ILE HA 1 30 ILE MG 4.450 . 4.890 2.995 2.451 3.531 . 0 0 "[ . 1 . 2]" 1
349 1 30 ILE MG 1 34 ALA H 4.780 . 5.260 3.991 3.670 4.238 . 0 0 "[ . 1 . 2]" 1
350 1 12 ILE MG 1 33 ALA MB 3.300 . 3.630 2.250 1.865 2.633 . 0 0 "[ . 1 . 2]" 1
351 1 12 ILE MG 1 13 VAL HA 4.980 . 5.480 3.398 3.250 3.555 . 0 0 "[ . 1 . 2]" 1
352 1 12 ILE MG 1 33 ALA H 4.770 . 5.250 4.132 3.511 4.564 . 0 0 "[ . 1 . 2]" 1
353 1 31 ALA MB 1 38 ILE HA 3.360 . 3.700 2.750 2.354 3.169 . 0 0 "[ . 1 . 2]" 1
354 1 30 ILE H 1 31 ALA MB 4.820 . 5.300 4.398 4.324 4.546 . 0 0 "[ . 1 . 2]" 1
355 1 31 ALA MB 1 33 ALA H 5.320 . 5.850 4.648 4.451 4.846 . 0 0 "[ . 1 . 2]" 1
356 1 31 ALA MB 1 36 LEU H 5.040 . 5.540 3.649 3.239 4.269 . 0 0 "[ . 1 . 2]" 1
357 1 31 ALA MB 1 41 VAL HB 3.840 . 4.220 3.071 2.483 3.567 . 0 0 "[ . 1 . 2]" 1
358 1 30 ILE HB 1 31 ALA MB 4.030 . 4.430 3.934 3.727 4.046 . 0 0 "[ . 1 . 2]" 1
359 1 27 THR MG 1 31 ALA MB 3.800 . 4.180 3.258 2.926 3.920 . 0 0 "[ . 1 . 2]" 1
360 1 31 ALA MB 1 41 VAL MG1 3.290 . 3.620 2.933 2.472 3.273 . 0 0 "[ . 1 . 2]" 1
361 1 31 ALA MB 1 41 VAL MG2 3.300 . 3.630 2.149 1.916 2.405 . 0 0 "[ . 1 . 2]" 1
362 1 5 ILE MG 1 6 VAL MG2 3.810 . 4.190 3.022 2.205 3.998 . 0 0 "[ . 1 . 2]" 1
363 1 5 ILE MG 1 6 VAL HA 4.850 . 5.330 3.313 3.089 3.689 . 0 0 "[ . 1 . 2]" 1
364 1 5 ILE MG 1 44 TYR QD 4.790 . 5.270 4.031 3.459 4.716 . 0 0 "[ . 1 . 2]" 1
365 1 5 ILE MG 1 44 TYR QE 4.250 . 4.680 3.340 2.666 4.562 . 0 0 "[ . 1 . 2]" 1
366 1 27 THR MG 1 38 ILE MG 3.480 . 3.830 2.378 1.919 3.000 . 0 0 "[ . 1 . 2]" 1
367 1 9 ILE MG 1 13 VAL MG2 3.450 . 3.790 2.625 2.337 2.882 . 0 0 "[ . 1 . 2]" 1
368 1 9 ILE MG 1 10 ILE HA 4.330 . 4.760 3.359 3.175 3.503 . 0 0 "[ . 1 . 2]" 1
369 1 9 ILE MG 1 44 TYR QB 4.710 . 5.180 3.213 2.892 3.832 . 0 0 "[ . 1 . 2]" 1
370 1 13 VAL MG2 1 30 ILE MD 3.180 . 3.500 2.138 1.870 2.777 . 0 0 "[ . 1 . 2]" 1
371 1 25 VAL MG1 1 30 ILE MD 3.520 . 3.870 2.351 1.950 3.034 . 0 0 "[ . 1 . 2]" 1
372 1 25 VAL HB 1 30 ILE MD 3.980 . 4.380 2.945 2.315 4.008 . 0 0 "[ . 1 . 2]" 1
373 1 12 ILE MD 1 30 ILE HA 4.860 . 5.350 3.021 2.301 4.022 . 0 0 "[ . 1 . 2]" 1
374 1 8 LYS QD 1 12 ILE MD 4.340 . 4.770 3.233 2.120 3.623 . 0 0 "[ . 1 . 2]" 1
375 1 12 ILE MD 1 33 ALA MB 3.250 . 3.580 2.041 1.796 2.995 0.004 3 0 "[ . 1 . 2]" 1
376 1 9 ILE MD 1 44 TYR QB 3.620 . 3.980 2.309 2.074 2.994 . 0 0 "[ . 1 . 2]" 1
377 1 9 ILE MD 1 34 ALA MB 4.090 . 4.500 3.572 2.682 4.414 . 0 0 "[ . 1 . 2]" 1
378 1 7 THR HB 1 10 ILE MD 5.050 . 5.560 5.108 4.755 5.535 . 0 0 "[ . 1 . 2]" 1
379 1 27 THR HB 1 38 ILE MD 4.410 . 4.850 4.097 2.869 4.855 0.005 18 0 "[ . 1 . 2]" 1
380 1 41 VAL MG1 1 45 LEU MD1 3.550 . 3.900 2.015 1.911 2.193 . 0 0 "[ . 1 . 2]" 1
381 1 9 ILE HB 1 45 LEU MD2 4.480 . 4.930 4.334 4.149 4.770 . 0 0 "[ . 1 . 2]" 1
382 1 45 LEU MD2 1 54 LEU MD1 3.140 . 3.450 2.089 1.957 2.255 . 0 0 "[ . 1 . 2]" 1
383 1 9 ILE MG 1 45 LEU MD2 3.400 . 3.740 2.165 2.001 2.465 . 0 0 "[ . 1 . 2]" 1
384 1 13 VAL MG2 1 45 LEU MD2 3.810 . 4.190 2.887 2.297 3.331 . 0 0 "[ . 1 . 2]" 1
385 1 45 LEU MD2 1 54 LEU MD2 4.210 . 4.630 3.814 3.499 4.151 . 0 0 "[ . 1 . 2]" 1
386 1 9 ILE MD 1 44 TYR QE 5.120 . 5.630 3.802 3.429 4.375 . 0 0 "[ . 1 . 2]" 1
387 1 27 THR MG 1 45 LEU MD2 4.640 . 5.100 4.471 4.220 4.943 . 0 0 "[ . 1 . 2]" 1
388 1 44 TYR QB 1 45 LEU MD2 5.210 . 5.730 3.582 3.197 4.122 . 0 0 "[ . 1 . 2]" 1
389 1 45 LEU MD2 1 48 LEU HB2 4.910 . 5.400 3.757 3.424 4.064 . 0 0 "[ . 1 . 2]" 1
390 1 27 THR HA 1 30 ILE MD 3.850 . 4.230 2.625 2.193 3.312 . 0 0 "[ . 1 . 2]" 1
391 1 57 VAL MG2 1 66 LEU HB3 4.140 . 4.550 3.936 3.363 4.453 . 0 0 "[ . 1 . 2]" 1
392 1 55 GLU HG3 1 57 VAL MG2 5.270 . 5.800 3.800 2.517 5.598 . 0 0 "[ . 1 . 2]" 1
393 1 24 PRO HB3 1 57 VAL MG2 3.490 . 3.840 2.566 2.116 3.112 . 0 0 "[ . 1 . 2]" 1
394 1 57 VAL MG2 1 68 ARG QG 3.810 . 4.190 3.017 1.946 4.175 . 0 0 "[ . 1 . 2]" 1
395 1 57 VAL MG2 1 66 LEU HB2 4.210 . 4.630 3.514 2.647 3.989 . 0 0 "[ . 1 . 2]" 1
396 1 55 GLU HG2 1 57 VAL MG2 5.270 . 5.800 4.058 2.501 5.017 . 0 0 "[ . 1 . 2]" 1
397 1 24 PRO HA 1 57 VAL MG2 5.180 . 5.700 4.073 3.196 4.905 . 0 0 "[ . 1 . 2]" 1
398 1 57 VAL MG2 1 67 TRP HA 4.620 . 5.080 3.520 2.863 4.079 . 0 0 "[ . 1 . 2]" 1
399 1 63 VAL MG2 1 64 PRO HD2 4.610 . 5.070 3.820 3.349 4.720 . 0 0 "[ . 1 . 2]" 1
400 1 36 LEU HA 1 36 LEU MD1 4.460 . 4.910 3.884 3.855 3.912 . 0 0 "[ . 1 . 2]" 1
401 1 48 LEU MD2 1 53 VAL MG2 2.980 . 3.280 2.338 2.202 2.414 . 0 0 "[ . 1 . 2]" 1
402 1 7 THR MG 1 10 ILE MD 4.480 . 4.930 3.658 2.963 4.325 . 0 0 "[ . 1 . 2]" 1
403 1 57 VAL MG1 1 66 LEU HB2 4.200 . 4.620 2.779 2.282 3.423 . 0 0 "[ . 1 . 2]" 1
404 1 24 PRO HB3 1 57 VAL MG1 3.880 . 4.270 3.144 1.887 4.295 0.025 12 0 "[ . 1 . 2]" 1
405 1 57 VAL MG1 1 66 LEU HG 5.500 . 6.050 4.207 3.830 5.817 . 0 0 "[ . 1 . 2]" 1
406 1 57 VAL MG1 1 68 ARG QG 5.500 . 6.050 4.965 3.738 6.064 0.014 3 0 "[ . 1 . 2]" 1
407 1 28 ARG HA 1 38 ILE MG 4.710 . 5.180 4.277 2.867 5.165 . 0 0 "[ . 1 . 2]" 1
408 1 53 VAL MG1 1 54 LEU HA 5.020 . 5.520 3.523 3.346 3.727 . 0 0 "[ . 1 . 2]" 1
409 1 53 VAL MG1 1 54 LEU HG 3.860 . 4.250 2.542 2.272 2.969 . 0 0 "[ . 1 . 2]" 1
410 1 48 LEU HB3 1 53 VAL MG1 3.920 . 4.310 2.956 2.732 3.197 . 0 0 "[ . 1 . 2]" 1
411 1 34 ALA MB 1 41 VAL MG2 3.800 . 4.180 3.211 2.516 3.724 . 0 0 "[ . 1 . 2]" 1
412 1 13 VAL MG1 1 17 GLN QG 3.950 . 4.350 3.106 2.477 4.388 0.038 2 0 "[ . 1 . 2]" 1
413 1 41 VAL MG1 1 45 LEU HG 3.780 . 4.160 2.345 2.070 2.656 . 0 0 "[ . 1 . 2]" 1
414 1 51 VAL HA 1 51 VAL MG1 3.430 . 3.770 2.362 2.336 2.389 . 0 0 "[ . 1 . 2]" 1
415 1 48 LEU HA 1 51 VAL MG1 4.090 . 4.500 3.731 3.556 3.917 . 0 0 "[ . 1 . 2]" 1
416 1 13 VAL HA 1 25 VAL MG1 4.500 . 4.950 2.581 2.163 3.924 . 0 0 "[ . 1 . 2]" 1
417 1 16 ARG HG2 1 25 VAL MG2 5.290 . 5.820 3.799 3.190 4.252 . 0 0 "[ . 1 . 2]" 1
418 1 24 PRO HB3 1 25 VAL MG2 5.500 . 6.050 5.040 4.228 5.552 . 0 0 "[ . 1 . 2]" 1
419 1 17 GLN QG 1 25 VAL MG2 3.880 . 4.270 2.697 2.101 3.306 . 0 0 "[ . 1 . 2]" 1
420 1 25 VAL HA 1 25 VAL MG2 3.540 . 3.890 2.469 2.389 2.544 . 0 0 "[ . 1 . 2]" 1
421 1 25 VAL H 1 25 VAL MG2 3.190 . 3.510 2.093 1.919 2.368 . 0 0 "[ . 1 . 2]" 1
422 1 12 ILE HB 1 34 ALA MB 5.500 . 6.050 4.659 4.431 4.906 . 0 0 "[ . 1 . 2]" 1
423 1 7 THR MG 1 8 LYS HA 4.370 . 4.810 3.646 3.463 3.842 . 0 0 "[ . 1 . 2]" 1
424 1 59 ALA MB 1 63 VAL MG2 3.750 . 4.130 2.747 1.857 4.046 . 0 0 "[ . 1 . 2]" 1
425 1 59 ALA MB 1 63 VAL MG1 4.360 . 4.800 3.319 1.782 4.967 0.167 18 0 "[ . 1 . 2]" 1
426 1 58 ASN HA 1 59 ALA MB 5.050 . 5.560 4.137 3.932 4.696 . 0 0 "[ . 1 . 2]" 1
427 1 31 ALA MB 1 37 SER HA 4.920 . 5.410 3.801 3.024 4.448 . 0 0 "[ . 1 . 2]" 1
428 1 31 ALA MB 1 32 ASP HA 4.950 . 5.440 3.857 3.750 3.934 . 0 0 "[ . 1 . 2]" 1
429 1 55 GLU QB 1 68 ARG QG 4.880 . 5.370 3.468 1.772 5.388 0.028 7 0 "[ . 1 . 2]" 1
430 1 55 GLU QB 1 70 LEU HG 5.500 . 6.050 4.300 3.066 5.021 . 0 0 "[ . 1 . 2]" 1
431 1 24 PRO HA 1 68 ARG QG 5.270 . 5.800 3.909 2.196 5.308 . 0 0 "[ . 1 . 2]" 1
432 1 68 ARG QG 1 69 LEU HA 5.500 . 6.050 4.555 3.925 5.986 . 0 0 "[ . 1 . 2]" 1
433 1 54 LEU HA 1 70 LEU HG 4.970 . 5.470 4.710 3.316 5.541 0.071 10 0 "[ . 1 . 2]" 1
434 1 45 LEU HG 1 54 LEU MD1 4.310 . 4.740 4.267 4.111 4.517 . 0 0 "[ . 1 . 2]" 1
435 1 30 ILE HA 1 33 ALA MB 3.790 . 4.170 2.903 2.495 3.216 . 0 0 "[ . 1 . 2]" 1
436 1 23 ALA MB 1 24 PRO HD3 3.820 . 4.200 3.721 3.022 4.206 0.006 11 0 "[ . 1 . 2]" 1
437 1 20 ASP HB3 1 23 ALA MB 4.050 . 4.460 2.206 1.764 4.311 0.036 14 0 "[ . 1 . 2]" 1
438 1 12 ILE MG 1 16 ARG HG3 4.300 . 4.730 3.214 2.833 3.944 . 0 0 "[ . 1 . 2]" 1
439 1 9 ILE MG 1 12 ILE HB 4.830 . 5.310 3.645 3.315 3.986 . 0 0 "[ . 1 . 2]" 1
440 1 63 VAL HA 1 64 PRO HG2 5.080 . 5.590 4.517 4.291 4.685 . 0 0 "[ . 1 . 2]" 1
441 1 63 VAL HA 1 64 PRO HG3 5.080 . 5.590 4.405 4.044 4.667 . 0 0 "[ . 1 . 2]" 1
442 1 43 LEU HA 1 46 GLU HB2 4.620 . 5.080 3.298 2.717 4.143 . 0 0 "[ . 1 . 2]" 1
443 1 49 HIS HB3 1 67 TRP HZ3 4.370 . 4.810 3.226 2.514 4.737 . 0 0 "[ . 1 . 2]" 1
444 1 13 VAL HA 1 30 ILE MD 5.450 . 6.000 3.795 3.384 4.593 . 0 0 "[ . 1 . 2]" 1
445 1 13 VAL MG1 1 14 GLN HA 3.860 . 4.250 3.496 3.229 3.696 . 0 0 "[ . 1 . 2]" 1
446 1 14 GLN HA 1 69 LEU MD1 4.260 . 4.690 3.998 3.012 4.716 0.026 8 0 "[ . 1 . 2]" 1
447 1 39 TYR HA 1 42 ARG H 4.850 . 5.330 3.635 3.242 4.044 . 0 0 "[ . 1 . 2]" 1
448 1 9 ILE MD 1 41 VAL MG2 3.450 . 3.790 3.340 2.833 3.837 0.047 11 0 "[ . 1 . 2]" 1
449 1 30 ILE HB 1 41 VAL MG1 3.800 . 4.180 2.428 2.053 3.064 . 0 0 "[ . 1 . 2]" 1
450 1 36 LEU HB3 1 41 VAL MG2 3.870 . 4.260 2.726 2.543 2.904 . 0 0 "[ . 1 . 2]" 1
451 1 36 LEU HB2 1 41 VAL MG2 3.870 . 4.260 2.051 1.895 2.228 . 0 0 "[ . 1 . 2]" 1
452 1 66 LEU MD1 1 67 TRP H 4.910 . 5.400 4.758 4.436 4.998 . 0 0 "[ . 1 . 2]" 1
453 1 34 ALA MB 1 36 LEU MD1 3.640 . 4.000 2.596 2.310 2.964 . 0 0 "[ . 1 . 2]" 1
454 1 26 LYS HA 1 66 LEU MD2 3.890 . 4.280 2.592 2.127 3.323 . 0 0 "[ . 1 . 2]" 1
455 1 27 THR HA 1 41 VAL MG1 4.610 . 5.070 3.549 2.977 4.299 . 0 0 "[ . 1 . 2]" 1
456 1 27 THR HB 1 38 ILE MG 4.990 . 5.490 3.785 2.841 4.520 . 0 0 "[ . 1 . 2]" 1
457 1 27 THR MG 1 38 ILE MD 4.100 . 4.510 2.851 2.348 3.543 . 0 0 "[ . 1 . 2]" 1
458 1 27 THR MG 1 41 VAL MG1 3.140 . 3.450 2.588 2.095 3.356 . 0 0 "[ . 1 . 2]" 1
459 1 24 PRO HA 1 25 VAL MG2 4.200 . 4.620 3.362 3.109 3.584 . 0 0 "[ . 1 . 2]" 1
460 1 45 LEU MD1 1 67 TRP HE1 4.470 . 4.920 2.525 2.050 3.097 . 0 0 "[ . 1 . 2]" 1
461 1 46 GLU HA 1 67 TRP HZ3 5.140 . 5.650 3.354 2.678 4.302 . 0 0 "[ . 1 . 2]" 1
462 1 36 LEU MD1 1 41 VAL HB 4.850 . 5.330 5.117 4.901 5.300 . 0 0 "[ . 1 . 2]" 1
463 1 38 ILE HB 1 39 TYR H 3.800 . 4.180 2.457 2.262 2.643 . 0 0 "[ . 1 . 2]" 1
464 1 67 TRP H 1 67 TRP HD1 3.960 . 4.360 2.986 2.540 3.240 . 0 0 "[ . 1 . 2]" 1
465 1 44 TYR HA 1 44 TYR QD 3.630 . 3.990 2.538 1.991 3.023 . 0 0 "[ . 1 . 2]" 1
466 1 6 VAL MG2 1 44 TYR QD 3.790 . 4.170 2.705 2.211 3.443 . 0 0 "[ . 1 . 2]" 1
467 1 36 LEU MD1 1 44 TYR QD 3.890 . 4.280 3.465 2.634 4.207 . 0 0 "[ . 1 . 2]" 1
468 1 9 ILE MD 1 44 TYR QD 3.850 . 4.230 2.737 1.981 3.301 . 0 0 "[ . 1 . 2]" 1
469 1 41 VAL HA 1 44 TYR QD 3.540 . 3.890 2.484 1.769 3.443 0.031 12 0 "[ . 1 . 2]" 1
470 1 39 TYR QE 1 43 LEU MD1 4.230 . 4.650 2.799 2.039 4.418 . 0 0 "[ . 1 . 2]" 1
471 1 36 LEU MD1 1 44 TYR QE 4.210 . 4.630 2.991 1.885 4.213 . 0 0 "[ . 1 . 2]" 1
472 1 6 VAL MG1 1 44 TYR QE 5.290 . 5.820 4.937 4.011 5.571 . 0 0 "[ . 1 . 2]" 1
473 1 36 LEU MD2 1 44 TYR QE 5.500 . 6.050 4.386 3.300 5.403 . 0 0 "[ . 1 . 2]" 1
474 1 39 TYR H 1 39 TYR QD 4.240 . 4.660 3.802 2.127 4.221 . 0 0 "[ . 1 . 2]" 1
475 1 66 LEU HA 1 67 TRP HD1 4.050 . 4.460 3.563 3.205 3.928 . 0 0 "[ . 1 . 2]" 1
476 1 30 ILE MD 1 67 TRP HD1 3.870 . 4.260 3.075 2.417 3.758 . 0 0 "[ . 1 . 2]" 1
477 1 49 HIS HB2 1 67 TRP HZ3 4.370 . 4.810 2.250 1.790 4.653 0.010 2 0 "[ . 1 . 2]" 1
478 1 46 GLU QG 1 67 TRP HH2 4.170 . 4.590 3.098 1.761 4.459 0.039 11 0 "[ . 1 . 2]" 1
479 1 27 THR HA 1 67 TRP HD1 4.360 . 4.800 3.295 2.796 3.981 . 0 0 "[ . 1 . 2]" 1
480 1 27 THR H 1 67 TRP HE1 4.970 . 5.470 3.751 2.609 4.506 . 0 0 "[ . 1 . 2]" 1
481 1 5 ILE H 1 5 ILE HB 3.990 . 4.390 2.556 2.414 2.866 . 0 0 "[ . 1 . 2]" 1
482 1 6 VAL H 1 6 VAL HB 3.610 . 3.970 2.588 2.501 2.632 . 0 0 "[ . 1 . 2]" 1
483 1 7 THR H 1 7 THR HB 3.730 . 4.100 2.623 2.548 2.744 . 0 0 "[ . 1 . 2]" 1
484 1 9 ILE H 1 9 ILE HB 3.260 . 3.590 2.509 2.446 2.568 . 0 0 "[ . 1 . 2]" 1
485 1 9 ILE HB 1 10 ILE H 3.390 . 3.730 2.525 2.421 2.602 . 0 0 "[ . 1 . 2]" 1
486 1 10 ILE H 1 10 ILE HB 3.610 . 3.970 2.575 2.528 2.610 . 0 0 "[ . 1 . 2]" 1
487 1 12 ILE H 1 12 ILE HB 3.340 . 3.670 2.511 2.460 2.553 . 0 0 "[ . 1 . 2]" 1
488 1 13 VAL H 1 13 VAL HB 3.510 . 3.860 2.592 2.543 2.637 . 0 0 "[ . 1 . 2]" 1
489 1 23 ALA H 1 23 ALA MB 2.960 . 3.260 2.410 2.207 2.786 . 0 0 "[ . 1 . 2]" 1
490 1 25 VAL H 1 25 VAL HB 3.710 . 4.080 2.613 2.535 2.773 . 0 0 "[ . 1 . 2]" 1
491 1 27 THR H 1 27 THR HB 3.960 . 4.360 2.636 2.546 2.751 . 0 0 "[ . 1 . 2]" 1
492 1 30 ILE H 1 30 ILE HB 3.160 . 3.480 2.576 2.485 2.652 . 0 0 "[ . 1 . 2]" 1
493 1 31 ALA H 1 31 ALA MB 3.140 . 3.450 2.238 2.221 2.247 . 0 0 "[ . 1 . 2]" 1
494 1 33 ALA H 1 33 ALA MB 2.970 . 3.270 2.248 2.230 2.270 . 0 0 "[ . 1 . 2]" 1
495 1 34 ALA H 1 34 ALA MB 3.090 . 3.400 2.280 2.248 2.321 . 0 0 "[ . 1 . 2]" 1
496 1 38 ILE H 1 38 ILE HB 3.430 . 3.770 2.599 2.542 2.658 . 0 0 "[ . 1 . 2]" 1
497 1 41 VAL H 1 41 VAL HB 3.310 . 3.640 2.539 2.469 2.591 . 0 0 "[ . 1 . 2]" 1
498 1 51 VAL H 1 51 VAL HB 4.050 . 4.460 3.671 3.639 3.735 . 0 0 "[ . 1 . 2]" 1
499 1 53 VAL H 1 53 VAL HB 3.480 . 3.830 2.607 2.467 2.859 . 0 0 "[ . 1 . 2]" 1
500 1 57 VAL H 1 57 VAL HB 3.890 . 4.280 2.648 2.495 2.886 . 0 0 "[ . 1 . 2]" 1
501 1 63 VAL H 1 63 VAL HB 3.950 . 4.350 3.702 3.609 3.851 . 0 0 "[ . 1 . 2]" 1
502 1 14 GLN H 1 14 GLN HB2 3.400 . 3.740 2.510 2.370 2.640 . 0 0 "[ . 1 . 2]" 1
503 1 15 GLU H 1 15 GLU HB2 3.020 . 3.320 2.434 2.221 2.601 . 0 0 "[ . 1 . 2]" 1
504 1 17 GLN H 1 17 GLN HB2 3.960 . 4.360 2.541 2.269 3.653 . 0 0 "[ . 1 . 2]" 1
505 1 18 ASN H 1 18 ASN HB2 3.580 . 3.940 2.423 2.325 2.499 . 0 0 "[ . 1 . 2]" 1
506 1 20 ASP H 1 20 ASP HB2 4.080 . 4.490 2.757 2.344 3.593 . 0 0 "[ . 1 . 2]" 1
507 1 20 ASP HB2 1 21 ASP H 4.570 . 5.030 3.808 2.106 4.484 . 0 0 "[ . 1 . 2]" 1
508 1 26 LYS H 1 26 LYS HB3 4.120 . 4.530 3.688 3.635 3.762 . 0 0 "[ . 1 . 2]" 1
509 1 28 ARG H 1 28 ARG HB2 3.610 . 3.970 2.524 2.236 3.564 . 0 0 "[ . 1 . 2]" 1
510 1 29 ASP H 1 29 ASP HB2 3.900 . 4.290 2.559 2.347 3.538 . 0 0 "[ . 1 . 2]" 1
511 1 32 ASP H 1 32 ASP HB2 3.630 . 3.990 2.471 2.353 2.697 . 0 0 "[ . 1 . 2]" 1
512 1 36 LEU H 1 36 LEU HB2 4.020 . 4.420 2.619 2.521 2.737 . 0 0 "[ . 1 . 2]" 1
513 1 37 SER H 1 37 SER HB2 4.060 . 4.470 2.682 2.457 3.629 . 0 0 "[ . 1 . 2]" 1
514 1 39 TYR H 1 39 TYR HB2 3.560 . 3.920 2.734 2.389 3.621 . 0 0 "[ . 1 . 2]" 1
515 1 40 GLN H 1 40 GLN HB2 3.750 . 4.130 2.477 2.350 2.587 . 0 0 "[ . 1 . 2]" 1
516 1 41 VAL HB 1 42 ARG H 3.440 . 3.780 2.555 2.425 2.737 . 0 0 "[ . 1 . 2]" 1
517 1 42 ARG H 1 42 ARG HB2 3.930 . 4.320 2.750 2.252 3.639 . 0 0 "[ . 1 . 2]" 1
518 1 43 LEU H 1 43 LEU HB2 3.590 . 3.950 2.511 2.401 2.570 . 0 0 "[ . 1 . 2]" 1
519 1 45 LEU H 1 45 LEU HB2 4.130 . 4.540 2.507 2.417 2.562 . 0 0 "[ . 1 . 2]" 1
520 1 46 GLU H 1 46 GLU HB2 3.790 . 4.170 2.441 2.159 2.572 . 0 0 "[ . 1 . 2]" 1
521 1 48 LEU H 1 48 LEU HB2 3.610 . 3.970 2.450 2.388 2.515 . 0 0 "[ . 1 . 2]" 1
522 1 49 HIS H 1 49 HIS HB2 3.650 . 4.020 2.688 2.478 2.799 . 0 0 "[ . 1 . 2]" 1
523 1 50 ASP H 1 50 ASP HB2 3.830 . 4.210 2.460 2.320 2.662 . 0 0 "[ . 1 . 2]" 1
524 1 56 LYS H 1 56 LYS HB2 4.050 . 4.460 3.158 2.336 3.740 . 0 0 "[ . 1 . 2]" 1
525 1 56 LYS H 1 56 LYS QD 4.570 . 5.030 3.720 1.775 4.848 0.025 6 0 "[ . 1 . 2]" 1
526 1 66 LEU H 1 66 LEU HB2 4.000 . 4.400 2.532 2.424 2.672 . 0 0 "[ . 1 . 2]" 1
527 1 54 LEU HB3 1 68 ARG H 4.300 . 4.730 3.671 3.267 4.501 . 0 0 "[ . 1 . 2]" 1
528 1 69 LEU H 1 69 LEU HB2 3.820 . 4.200 3.676 3.604 3.842 . 0 0 "[ . 1 . 2]" 1
529 1 8 LYS H 1 8 LYS HB2 3.650 . 4.020 2.549 2.474 2.644 . 0 0 "[ . 1 . 2]" 1
530 1 8 LYS H 1 8 LYS HB3 3.650 . 4.020 2.509 2.446 2.600 . 0 0 "[ . 1 . 2]" 1
531 1 14 GLN H 1 14 GLN HB3 3.400 . 3.740 2.532 2.442 2.592 . 0 0 "[ . 1 . 2]" 1
532 1 15 GLU H 1 15 GLU HB3 3.210 . 3.530 2.581 2.352 2.914 . 0 0 "[ . 1 . 2]" 1
533 1 18 ASN H 1 18 ASN HB3 3.580 . 3.940 3.461 2.540 3.653 . 0 0 "[ . 1 . 2]" 1
534 1 20 ASP H 1 20 ASP HB3 4.080 . 4.490 3.364 2.722 3.791 . 0 0 "[ . 1 . 2]" 1
535 1 26 LYS H 1 26 LYS HB2 3.830 . 4.210 2.565 2.410 2.726 . 0 0 "[ . 1 . 2]" 1
536 1 28 ARG H 1 28 ARG HB3 3.610 . 3.970 3.526 2.316 3.620 . 0 0 "[ . 1 . 2]" 1
537 1 29 ASP H 1 29 ASP HB3 3.900 . 4.290 3.310 2.429 3.619 . 0 0 "[ . 1 . 2]" 1
538 1 32 ASP H 1 32 ASP HB3 3.630 . 3.990 2.933 2.299 3.596 . 0 0 "[ . 1 . 2]" 1
539 1 36 LEU H 1 36 LEU HB3 4.020 . 4.420 3.757 3.633 3.840 . 0 0 "[ . 1 . 2]" 1
540 1 37 SER H 1 37 SER HB3 4.060 . 4.470 3.117 2.360 3.659 . 0 0 "[ . 1 . 2]" 1
541 1 39 TYR H 1 39 TYR HB3 3.560 . 3.920 2.541 2.437 2.691 . 0 0 "[ . 1 . 2]" 1
542 1 40 GLN H 1 40 GLN HB3 3.750 . 4.130 2.594 2.466 3.589 . 0 0 "[ . 1 . 2]" 1
543 1 43 LEU H 1 43 LEU HB3 3.590 . 3.950 3.606 3.584 3.623 . 0 0 "[ . 1 . 2]" 1
544 1 45 LEU H 1 45 LEU HB3 4.130 . 4.540 3.597 3.581 3.612 . 0 0 "[ . 1 . 2]" 1
545 1 46 GLU H 1 46 GLU HB3 3.790 . 4.170 3.174 2.467 3.608 . 0 0 "[ . 1 . 2]" 1
546 1 48 LEU H 1 48 LEU HB3 3.830 . 4.210 3.601 3.594 3.610 . 0 0 "[ . 1 . 2]" 1
547 1 49 HIS H 1 49 HIS HB3 3.650 . 4.020 2.425 2.287 2.683 . 0 0 "[ . 1 . 2]" 1
548 1 50 ASP H 1 50 ASP HB3 3.830 . 4.210 2.821 2.339 3.607 . 0 0 "[ . 1 . 2]" 1
549 1 54 LEU H 1 54 LEU HB2 3.780 . 4.160 2.551 2.481 2.607 . 0 0 "[ . 1 . 2]" 1
550 1 56 LYS H 1 56 LYS HB3 4.050 . 4.460 2.876 2.383 3.724 . 0 0 "[ . 1 . 2]" 1
551 1 68 ARG QG 1 69 LEU H 3.890 . 4.280 3.249 1.777 4.165 0.023 8 0 "[ . 1 . 2]" 1
552 1 6 VAL H 1 7 THR H 3.870 . 4.260 2.794 2.599 2.934 . 0 0 "[ . 1 . 2]" 1
553 1 7 THR H 1 8 LYS H 3.670 . 4.040 2.777 2.666 2.901 . 0 0 "[ . 1 . 2]" 1
554 1 8 LYS H 1 9 ILE H 3.720 . 4.090 2.802 2.663 2.929 . 0 0 "[ . 1 . 2]" 1
555 1 9 ILE H 1 10 ILE H 3.930 . 4.320 2.852 2.808 2.911 . 0 0 "[ . 1 . 2]" 1
556 1 10 ILE H 1 11 SER H 3.740 . 4.110 2.796 2.750 2.892 . 0 0 "[ . 1 . 2]" 1
557 1 12 ILE H 1 13 VAL H 3.010 . 3.310 2.752 2.576 2.913 . 0 0 "[ . 1 . 2]" 1
558 1 13 VAL H 1 14 GLN H 3.650 . 4.020 2.828 2.729 2.941 . 0 0 "[ . 1 . 2]" 1
559 1 16 ARG H 1 17 GLN H 3.620 . 3.980 2.783 2.639 2.948 . 0 0 "[ . 1 . 2]" 1
560 1 19 MET H 1 20 ASP H 3.550 . 3.900 2.683 2.419 2.902 . 0 0 "[ . 1 . 2]" 1
561 1 22 GLY H 1 23 ALA H 3.560 . 3.920 2.694 2.167 3.559 . 0 0 "[ . 1 . 2]" 1
562 1 28 ARG H 1 29 ASP H 3.880 . 4.270 2.824 2.616 3.001 . 0 0 "[ . 1 . 2]" 1
563 1 33 ALA H 1 34 ALA H 3.420 . 3.760 2.669 2.527 2.862 . 0 0 "[ . 1 . 2]" 1
564 1 34 ALA H 1 35 GLY H 3.360 . 3.700 2.452 2.292 2.595 . 0 0 "[ . 1 . 2]" 1
565 1 37 SER H 1 40 GLN H 4.620 . 5.080 4.451 4.141 4.847 . 0 0 "[ . 1 . 2]" 1
566 1 39 TYR H 1 40 GLN H 3.730 . 4.100 2.825 2.663 2.970 . 0 0 "[ . 1 . 2]" 1
567 1 41 VAL H 1 42 ARG H 3.650 . 4.020 2.810 2.681 2.921 . 0 0 "[ . 1 . 2]" 1
568 1 44 TYR H 1 45 LEU H 3.580 . 3.940 2.760 2.650 2.866 . 0 0 "[ . 1 . 2]" 1
569 1 45 LEU H 1 46 GLU H 3.850 . 4.230 2.762 2.636 2.873 . 0 0 "[ . 1 . 2]" 1
570 1 46 GLU H 1 47 GLN H 3.710 . 4.080 2.779 2.669 2.909 . 0 0 "[ . 1 . 2]" 1
571 1 48 LEU H 1 49 HIS H 3.800 . 4.180 2.720 2.609 2.793 . 0 0 "[ . 1 . 2]" 1
572 1 51 VAL H 1 52 GLY H 3.520 . 3.870 2.578 2.417 2.745 . 0 0 "[ . 1 . 2]" 1
573 1 53 VAL H 1 54 LEU H 3.390 . 3.730 2.336 2.029 2.798 . 0 0 "[ . 1 . 2]" 1
574 1 65 GLY H 1 66 LEU H 4.710 . 5.180 4.095 3.442 4.529 . 0 0 "[ . 1 . 2]" 1
575 1 66 LEU H 1 67 TRP H 5.030 . 5.530 4.552 4.398 4.640 . 0 0 "[ . 1 . 2]" 1
576 1 12 ILE HA 1 15 GLU H 4.320 . 4.750 3.483 3.194 3.751 . 0 0 "[ . 1 . 2]" 1
577 1 24 PRO HA 1 25 VAL H 3.350 . 3.690 2.309 2.160 2.603 . 0 0 "[ . 1 . 2]" 1
578 1 25 VAL HA 1 26 LYS H 3.260 . 3.590 2.258 2.162 2.361 . 0 0 "[ . 1 . 2]" 1
579 1 26 LYS HA 1 27 THR H 3.280 . 3.610 2.243 2.167 2.361 . 0 0 "[ . 1 . 2]" 1
580 1 29 ASP HA 1 33 ALA H 5.170 . 5.690 4.012 3.810 4.332 . 0 0 "[ . 1 . 2]" 1
581 1 36 LEU HA 1 37 SER H 3.170 . 3.490 2.496 2.356 2.590 . 0 0 "[ . 1 . 2]" 1
582 1 37 SER HA 1 38 ILE H 3.330 . 3.660 2.290 2.239 2.415 . 0 0 "[ . 1 . 2]" 1
583 1 37 SER HB3 1 40 GLN H 4.900 . 5.390 3.399 2.542 4.481 . 0 0 "[ . 1 . 2]" 1
584 1 46 GLU HA 1 49 HIS H 4.250 . 4.680 3.400 3.137 3.692 . 0 0 "[ . 1 . 2]" 1
585 1 47 GLN HA 1 49 HIS H 4.880 . 5.370 4.202 4.006 4.492 . 0 0 "[ . 1 . 2]" 1
586 1 54 LEU HA 1 55 GLU H 3.310 . 3.640 2.248 2.140 2.589 . 0 0 "[ . 1 . 2]" 1
587 1 56 LYS HA 1 57 VAL H 3.460 . 3.810 2.202 2.150 2.265 . 0 0 "[ . 1 . 2]" 1
588 1 67 TRP HA 1 68 ARG H 3.290 . 3.620 2.168 2.119 2.314 . 0 0 "[ . 1 . 2]" 1
589 1 68 ARG HA 1 69 LEU H 3.340 . 3.670 2.348 2.159 2.780 . 0 0 "[ . 1 . 2]" 1
590 1 69 LEU HA 1 70 LEU H 3.220 . 3.540 2.355 2.189 2.554 . 0 0 "[ . 1 . 2]" 1
591 1 36 LEU H 1 36 LEU HG 3.820 . 4.200 2.917 2.357 3.237 . 0 0 "[ . 1 . 2]" 1
592 1 43 LEU H 1 43 LEU HG 3.280 . 3.610 2.285 2.088 2.523 . 0 0 "[ . 1 . 2]" 1
593 1 45 LEU H 1 45 LEU HG 3.420 . 3.760 2.239 2.114 2.401 . 0 0 "[ . 1 . 2]" 1
594 1 48 LEU H 1 48 LEU HG 3.470 . 3.820 2.391 2.249 2.575 . 0 0 "[ . 1 . 2]" 1
595 1 54 LEU H 1 54 LEU HG 3.860 . 4.250 2.819 2.630 2.982 . 0 0 "[ . 1 . 2]" 1
596 1 66 LEU H 1 66 LEU HG 4.390 . 4.830 2.690 2.320 3.837 . 0 0 "[ . 1 . 2]" 1
597 1 69 LEU H 1 69 LEU HG 3.780 . 4.160 2.086 1.836 3.416 . 0 0 "[ . 1 . 2]" 1
598 1 5 ILE H 1 5 ILE MG 4.360 . 4.800 3.010 1.951 3.826 . 0 0 "[ . 1 . 2]" 1
599 1 6 VAL H 1 6 VAL MG1 3.950 . 4.350 3.785 3.749 3.798 . 0 0 "[ . 1 . 2]" 1
600 1 7 THR H 1 7 THR MG 3.990 . 4.390 3.790 3.773 3.806 . 0 0 "[ . 1 . 2]" 1
601 1 8 LYS H 1 8 LYS HG2 4.660 . 5.130 4.511 4.427 4.618 . 0 0 "[ . 1 . 2]" 1
602 1 9 ILE H 1 9 ILE MG 3.960 . 4.360 3.774 3.761 3.786 . 0 0 "[ . 1 . 2]" 1
603 1 10 ILE H 1 10 ILE MG 3.790 . 4.170 3.788 3.780 3.793 . 0 0 "[ . 1 . 2]" 1
604 1 12 ILE H 1 12 ILE MG 3.790 . 4.170 3.778 3.769 3.789 . 0 0 "[ . 1 . 2]" 1
605 1 13 VAL H 1 13 VAL MG2 3.160 . 3.480 2.005 1.941 2.096 . 0 0 "[ . 1 . 2]" 1
606 1 16 ARG H 1 16 ARG HG2 3.890 . 4.280 2.298 2.051 2.983 . 0 0 "[ . 1 . 2]" 1
607 1 19 MET H 1 19 MET HG2 4.150 . 4.570 2.543 2.085 3.594 . 0 0 "[ . 1 . 2]" 1
608 1 25 VAL H 1 66 LEU HB3 4.780 . 5.260 4.082 3.546 4.449 . 0 0 "[ . 1 . 2]" 1
609 1 26 LYS H 1 26 LYS HG3 3.870 . 4.260 3.569 3.141 3.854 . 0 0 "[ . 1 . 2]" 1
610 1 27 THR H 1 27 THR MG 4.450 . 4.890 3.792 3.773 3.805 . 0 0 "[ . 1 . 2]" 1
611 1 28 ARG H 1 28 ARG HG2 4.180 . 4.600 3.018 2.085 4.023 . 0 0 "[ . 1 . 2]" 1
612 1 30 ILE H 1 30 ILE MG 3.910 . 4.300 3.783 3.770 3.803 . 0 0 "[ . 1 . 2]" 1
613 1 38 ILE H 1 38 ILE MG 3.950 . 4.350 3.787 3.780 3.795 . 0 0 "[ . 1 . 2]" 1
614 1 40 GLN H 1 40 GLN HG2 4.560 . 5.020 4.428 2.630 4.620 . 0 0 "[ . 1 . 2]" 1
615 1 41 VAL H 1 41 VAL MG1 3.890 . 4.280 3.778 3.770 3.790 . 0 0 "[ . 1 . 2]" 1
616 1 42 ARG H 1 42 ARG HB3 3.930 . 4.320 3.026 2.397 3.633 . 0 0 "[ . 1 . 2]" 1
617 1 42 ARG H 1 42 ARG HG2 4.620 . 5.080 3.499 2.274 4.639 . 0 0 "[ . 1 . 2]" 1
618 1 47 GLN H 1 47 GLN HG2 4.260 . 4.690 2.839 2.012 3.633 . 0 0 "[ . 1 . 2]" 1
619 1 51 VAL H 1 51 VAL MG2 3.280 . 3.610 2.046 1.953 2.166 . 0 0 "[ . 1 . 2]" 1
620 1 53 VAL H 1 53 VAL MG1 3.940 . 4.330 3.847 3.790 3.940 . 0 0 "[ . 1 . 2]" 1
621 1 56 LYS HB3 1 57 VAL H 4.890 . 5.380 4.181 3.415 4.551 . 0 0 "[ . 1 . 2]" 1
622 1 63 VAL H 1 63 VAL MG2 3.310 . 3.640 2.082 1.942 2.220 . 0 0 "[ . 1 . 2]" 1
623 1 8 LYS H 1 8 LYS HG3 4.660 . 5.130 4.480 4.436 4.515 . 0 0 "[ . 1 . 2]" 1
624 1 14 GLN QG 1 15 GLU H 3.990 . 4.390 3.563 3.283 4.308 . 0 0 "[ . 1 . 2]" 1
625 1 16 ARG H 1 16 ARG HG3 4.140 . 4.550 3.657 3.228 4.127 . 0 0 "[ . 1 . 2]" 1
626 1 19 MET H 1 19 MET HG3 4.150 . 4.570 3.451 2.142 4.038 . 0 0 "[ . 1 . 2]" 1
627 1 26 LYS H 1 26 LYS HG2 4.360 . 4.800 4.032 3.920 4.235 . 0 0 "[ . 1 . 2]" 1
628 1 28 ARG H 1 28 ARG HG3 4.180 . 4.600 3.074 1.864 4.010 . 0 0 "[ . 1 . 2]" 1
629 1 42 ARG H 1 42 ARG HG3 4.620 . 5.080 3.416 2.263 4.533 . 0 0 "[ . 1 . 2]" 1
630 1 47 GLN H 1 47 GLN HG3 4.260 . 4.690 2.929 2.089 3.848 . 0 0 "[ . 1 . 2]" 1
631 1 9 ILE H 1 9 ILE MD 3.720 . 4.090 3.608 3.569 3.647 . 0 0 "[ . 1 . 2]" 1
632 1 10 ILE H 1 10 ILE MD 3.730 . 4.100 3.575 3.535 3.647 . 0 0 "[ . 1 . 2]" 1
633 1 12 ILE H 1 12 ILE MD 3.840 . 4.220 3.507 3.415 3.621 . 0 0 "[ . 1 . 2]" 1
634 1 36 LEU H 1 36 LEU MD1 4.200 . 4.620 4.035 3.716 4.206 . 0 0 "[ . 1 . 2]" 1
635 1 38 ILE H 1 38 ILE MD 3.660 . 4.030 3.101 2.989 3.279 . 0 0 "[ . 1 . 2]" 1
636 1 43 LEU H 1 43 LEU MD1 4.230 . 4.650 3.663 3.585 3.727 . 0 0 "[ . 1 . 2]" 1
637 1 45 LEU H 1 45 LEU MD1 4.130 . 4.540 3.618 3.522 3.723 . 0 0 "[ . 1 . 2]" 1
638 1 48 LEU H 1 48 LEU MD2 4.110 . 4.520 3.399 3.254 3.549 . 0 0 "[ . 1 . 2]" 1
639 1 53 VAL MG1 1 54 LEU H 4.040 . 4.440 3.274 3.077 3.557 . 0 0 "[ . 1 . 2]" 1
640 1 54 LEU H 1 54 LEU MD2 4.340 . 4.770 3.594 3.388 3.716 . 0 0 "[ . 1 . 2]" 1
641 1 66 LEU H 1 66 LEU MD1 4.180 . 4.600 3.753 2.297 4.222 . 0 0 "[ . 1 . 2]" 1
642 1 69 LEU H 1 69 LEU MD1 4.010 . 4.410 3.117 2.516 3.993 . 0 0 "[ . 1 . 2]" 1
643 1 26 LYS H 1 26 LYS HD2 3.910 . 4.300 2.047 1.774 2.349 0.026 10 0 "[ . 1 . 2]" 1
644 1 36 LEU H 1 36 LEU MD2 4.090 . 4.500 3.697 3.296 3.957 . 0 0 "[ . 1 . 2]" 1
645 1 43 LEU H 1 43 LEU MD2 4.190 . 4.610 3.249 3.034 3.550 . 0 0 "[ . 1 . 2]" 1
646 1 45 LEU H 1 45 LEU MD2 4.100 . 4.510 3.243 3.044 3.448 . 0 0 "[ . 1 . 2]" 1
647 1 48 LEU H 1 48 LEU MD1 4.000 . 4.400 3.668 3.618 3.736 . 0 0 "[ . 1 . 2]" 1
648 1 54 LEU H 1 54 LEU MD1 4.090 . 4.500 3.986 3.872 4.079 . 0 0 "[ . 1 . 2]" 1
649 1 69 LEU H 1 69 LEU MD2 3.900 . 4.290 3.447 1.787 3.861 0.013 11 0 "[ . 1 . 2]" 1
650 1 26 LYS H 1 26 LYS HD3 3.910 . 4.300 2.585 2.237 2.843 . 0 0 "[ . 1 . 2]" 1
651 1 5 ILE H 1 5 ILE HG12 5.030 . 5.530 3.813 2.031 4.707 . 0 0 "[ . 1 . 2]" 1
652 1 9 ILE H 1 9 ILE HG12 3.610 . 3.970 3.363 3.266 3.507 . 0 0 "[ . 1 . 2]" 1
653 1 12 ILE H 1 12 ILE HG12 3.950 . 4.350 3.482 3.362 3.649 . 0 0 "[ . 1 . 2]" 1
654 1 38 ILE H 1 38 ILE HG12 3.880 . 4.270 2.023 1.957 2.109 . 0 0 "[ . 1 . 2]" 1
655 1 5 ILE H 1 5 ILE HG13 5.030 . 5.530 3.820 2.048 4.629 . 0 0 "[ . 1 . 2]" 1
656 1 9 ILE H 1 9 ILE HG13 3.610 . 3.970 2.134 2.036 2.269 . 0 0 "[ . 1 . 2]" 1
657 1 10 ILE H 1 10 ILE HG13 4.120 . 4.530 2.057 2.002 2.167 . 0 0 "[ . 1 . 2]" 1
658 1 12 ILE H 1 12 ILE HG13 3.950 . 4.350 2.149 2.012 2.355 . 0 0 "[ . 1 . 2]" 1
659 1 38 ILE H 1 38 ILE HG13 3.880 . 4.270 3.543 3.503 3.580 . 0 0 "[ . 1 . 2]" 1
660 1 6 VAL H 1 6 VAL MG2 3.490 . 3.840 2.009 1.927 2.144 . 0 0 "[ . 1 . 2]" 1
661 1 13 VAL H 1 13 VAL MG1 3.790 . 4.170 3.787 3.776 3.801 . 0 0 "[ . 1 . 2]" 1
662 1 41 VAL H 1 41 VAL MG2 3.770 . 4.150 2.061 2.006 2.154 . 0 0 "[ . 1 . 2]" 1
663 1 51 VAL H 1 51 VAL MG1 3.520 . 3.870 2.316 2.145 2.528 . 0 0 "[ . 1 . 2]" 1
664 1 53 VAL H 1 53 VAL MG2 3.510 . 3.860 2.561 2.020 3.006 . 0 0 "[ . 1 . 2]" 1
665 1 57 VAL H 1 57 VAL MG2 3.730 . 4.100 2.445 2.008 2.877 . 0 0 "[ . 1 . 2]" 1
666 1 63 VAL H 1 63 VAL MG1 4.020 . 4.420 2.497 2.058 3.397 . 0 0 "[ . 1 . 2]" 1
667 1 5 ILE H 1 6 VAL H 4.430 . 4.870 2.714 2.142 3.008 . 0 0 "[ . 1 . 2]" 1
668 1 11 SER H 1 12 ILE H 3.630 . 3.990 2.718 2.638 2.857 . 0 0 "[ . 1 . 2]" 1
669 1 14 GLN H 1 15 GLU H 3.680 . 4.050 2.766 2.682 2.863 . 0 0 "[ . 1 . 2]" 1
670 1 15 GLU H 1 16 ARG H 2.790 . 3.070 2.871 2.692 3.044 . 0 0 "[ . 1 . 2]" 1
671 1 17 GLN H 1 18 ASN H 3.670 . 4.040 2.637 2.487 2.775 . 0 0 "[ . 1 . 2]" 1
672 1 20 ASP H 1 21 ASP H 4.090 . 4.500 3.378 2.065 4.492 . 0 0 "[ . 1 . 2]" 1
673 1 21 ASP H 1 22 GLY H 3.820 . 4.200 3.365 2.152 4.242 0.042 16 0 "[ . 1 . 2]" 1
674 1 27 THR H 1 28 ARG H 4.090 . 4.500 2.843 2.666 3.022 . 0 0 "[ . 1 . 2]" 1
675 1 29 ASP H 1 30 ILE H 3.470 . 3.820 2.835 2.694 2.966 . 0 0 "[ . 1 . 2]" 1
676 1 30 ILE H 1 31 ALA H 3.300 . 3.630 2.759 2.658 2.930 . 0 0 "[ . 1 . 2]" 1
677 1 35 GLY H 1 36 LEU H 3.420 . 3.760 2.513 2.332 2.637 . 0 0 "[ . 1 . 2]" 1
678 1 36 LEU H 1 37 SER H 4.870 . 5.360 4.495 4.439 4.625 . 0 0 "[ . 1 . 2]" 1
679 1 38 ILE H 1 39 TYR H 4.020 . 4.420 2.965 2.816 3.093 . 0 0 "[ . 1 . 2]" 1
680 1 40 GLN H 1 41 VAL H 3.590 . 3.950 2.818 2.569 3.024 . 0 0 "[ . 1 . 2]" 1
681 1 42 ARG H 1 43 LEU H 3.660 . 4.030 2.798 2.667 2.972 . 0 0 "[ . 1 . 2]" 1
682 1 47 GLN H 1 48 LEU H 3.640 . 4.000 2.747 2.581 2.877 . 0 0 "[ . 1 . 2]" 1
683 1 49 HIS H 1 50 ASP H 3.860 . 4.250 2.630 2.474 2.807 . 0 0 "[ . 1 . 2]" 1
684 1 50 ASP H 1 51 VAL H 3.810 . 4.190 2.684 2.529 2.840 . 0 0 "[ . 1 . 2]" 1
685 1 52 GLY H 1 53 VAL H 3.650 . 4.020 2.435 2.101 2.738 . 0 0 "[ . 1 . 2]" 1
686 1 57 VAL H 1 58 ASN H 4.640 . 5.100 4.190 3.824 4.594 . 0 0 "[ . 1 . 2]" 1
687 1 68 ARG H 1 69 LEU H 4.900 . 5.390 4.293 3.943 4.529 . 0 0 "[ . 1 . 2]" 1
688 1 69 LEU H 1 70 LEU H 5.130 . 5.640 4.595 4.463 4.677 . 0 0 "[ . 1 . 2]" 1
689 1 6 VAL HA 1 9 ILE H 4.160 . 4.580 3.462 2.985 3.844 . 0 0 "[ . 1 . 2]" 1
690 1 10 ILE H 1 11 SER HA 5.380 . 5.920 5.403 5.370 5.474 . 0 0 "[ . 1 . 2]" 1
691 1 7 THR HA 1 11 SER H 5.500 . 6.050 4.082 3.763 4.544 . 0 0 "[ . 1 . 2]" 1
692 1 11 SER H 1 12 ILE HA 5.500 . 6.050 5.338 5.268 5.451 . 0 0 "[ . 1 . 2]" 1
693 1 9 ILE HA 1 12 ILE H 4.190 . 4.610 3.428 3.136 3.735 . 0 0 "[ . 1 . 2]" 1
694 1 14 GLN H 1 15 GLU HA 5.180 . 5.700 5.363 5.291 5.443 . 0 0 "[ . 1 . 2]" 1
695 1 37 SER HB3 1 38 ILE H 4.240 . 4.660 3.286 2.678 4.050 . 0 0 "[ . 1 . 2]" 1
696 1 38 ILE HA 1 41 VAL H 4.330 . 4.760 3.781 3.535 4.139 . 0 0 "[ . 1 . 2]" 1
697 1 22 GLY H 1 23 ALA MB 4.680 . 5.150 4.048 3.493 4.554 . 0 0 "[ . 1 . 2]" 1
698 1 26 LYS HB2 1 29 ASP H 3.610 . 3.970 2.600 2.199 3.038 . 0 0 "[ . 1 . 2]" 1
699 1 33 ALA H 1 34 ALA MB 4.860 . 5.350 4.401 4.234 4.592 . 0 0 "[ . 1 . 2]" 1
700 1 52 GLY H 1 53 VAL HB 4.930 . 5.420 4.652 4.337 4.890 . 0 0 "[ . 1 . 2]" 1
701 1 27 THR MG 1 42 ARG H 4.410 . 4.850 3.528 2.713 4.156 . 0 0 "[ . 1 . 2]" 1
702 1 68 ARG H 1 68 ARG QG 4.190 . 4.610 3.497 2.373 4.183 . 0 0 "[ . 1 . 2]" 1
703 1 5 ILE HB 1 6 VAL H 4.420 . 4.860 3.242 2.319 4.155 . 0 0 "[ . 1 . 2]" 1
704 1 6 VAL HB 1 7 THR H 3.970 . 4.370 2.494 2.272 2.933 . 0 0 "[ . 1 . 2]" 1
705 1 7 THR HB 1 8 LYS H 3.820 . 4.200 2.656 2.453 2.822 . 0 0 "[ . 1 . 2]" 1
706 1 10 ILE HB 1 11 SER H 3.490 . 3.840 2.549 2.446 2.642 . 0 0 "[ . 1 . 2]" 1
707 1 12 ILE HB 1 13 VAL H 3.780 . 4.160 2.487 2.295 2.630 . 0 0 "[ . 1 . 2]" 1
708 1 13 VAL HB 1 14 GLN H 3.450 . 3.790 2.454 2.295 2.605 . 0 0 "[ . 1 . 2]" 1
709 1 27 THR HB 1 28 ARG H 3.670 . 4.040 2.724 2.388 2.965 . 0 0 "[ . 1 . 2]" 1
710 1 30 ILE HB 1 31 ALA H 3.510 . 3.860 2.501 2.220 2.707 . 0 0 "[ . 1 . 2]" 1
711 1 31 ALA MB 1 32 ASP H 3.300 . 3.630 2.479 2.200 2.726 . 0 0 "[ . 1 . 2]" 1
712 1 33 ALA MB 1 34 ALA H 3.450 . 3.790 2.646 2.349 2.874 . 0 0 "[ . 1 . 2]" 1
713 1 34 ALA MB 1 35 GLY H 3.710 . 4.080 2.916 2.691 3.085 . 0 0 "[ . 1 . 2]" 1
714 1 51 VAL HB 1 52 GLY H 5.090 . 5.600 4.227 3.915 4.391 . 0 0 "[ . 1 . 2]" 1
715 1 53 VAL HB 1 54 LEU H 3.960 . 4.360 2.440 2.211 2.716 . 0 0 "[ . 1 . 2]" 1
716 1 4 SER HB2 1 5 ILE H 4.800 . 5.280 3.951 2.657 4.677 . 0 0 "[ . 1 . 2]" 1
717 1 15 GLU HB2 1 16 ARG H 3.750 . 4.130 3.762 3.595 3.937 . 0 0 "[ . 1 . 2]" 1
718 1 17 GLN HB2 1 18 ASN H 4.010 . 4.410 3.124 2.594 4.178 . 0 0 "[ . 1 . 2]" 1
719 1 18 ASN HB2 1 19 MET H 4.090 . 4.500 3.055 2.518 3.993 . 0 0 "[ . 1 . 2]" 1
720 1 26 LYS HB3 1 27 THR H 4.350 . 4.790 2.990 2.547 3.297 . 0 0 "[ . 1 . 2]" 1
721 1 32 ASP HB2 1 33 ALA H 3.840 . 4.220 3.338 2.337 3.948 . 0 0 "[ . 1 . 2]" 1
722 1 36 LEU HB2 1 37 SER H 4.050 . 4.460 3.434 3.263 3.751 . 0 0 "[ . 1 . 2]" 1
723 1 37 SER HB2 1 38 ILE H 4.240 . 4.660 3.841 2.898 3.980 . 0 0 "[ . 1 . 2]" 1
724 1 39 TYR HB2 1 40 GLN H 4.170 . 4.590 3.811 3.614 4.020 . 0 0 "[ . 1 . 2]" 1
725 1 40 GLN HB2 1 41 VAL H 4.040 . 4.440 3.712 2.441 3.899 . 0 0 "[ . 1 . 2]" 1
726 1 42 ARG HB2 1 43 LEU H 3.980 . 4.380 3.403 2.555 4.146 . 0 0 "[ . 1 . 2]" 1
727 1 43 LEU HB2 1 44 TYR H 4.020 . 4.420 2.434 2.310 2.555 . 0 0 "[ . 1 . 2]" 1
728 1 45 LEU HB2 1 46 GLU H 4.300 . 4.730 2.528 2.366 2.695 . 0 0 "[ . 1 . 2]" 1
729 1 46 GLU HB2 1 47 GLN H 3.870 . 4.260 3.143 2.323 3.953 . 0 0 "[ . 1 . 2]" 1
730 1 48 LEU HB2 1 49 HIS H 4.320 . 4.750 2.822 2.545 2.983 . 0 0 "[ . 1 . 2]" 1
731 1 49 HIS HB2 1 50 ASP H 4.290 . 4.720 3.973 3.787 4.168 . 0 0 "[ . 1 . 2]" 1
732 1 50 ASP HB2 1 51 VAL H 4.190 . 4.610 3.649 2.488 4.043 . 0 0 "[ . 1 . 2]" 1
733 1 54 LEU HB3 1 55 GLU H 3.990 . 4.390 2.843 2.073 3.358 . 0 0 "[ . 1 . 2]" 1
734 1 56 LYS HB2 1 57 VAL H 4.890 . 5.380 3.856 3.031 4.624 . 0 0 "[ . 1 . 2]" 1
735 1 64 PRO HB2 1 65 GLY H 4.620 . 5.080 3.387 2.183 4.282 . 0 0 "[ . 1 . 2]" 1
736 1 66 LEU HB2 1 67 TRP H 4.930 . 5.420 3.889 3.528 4.132 . 0 0 "[ . 1 . 2]" 1
737 1 67 TRP HB2 1 68 ARG H 4.530 . 4.980 4.108 3.755 4.302 . 0 0 "[ . 1 . 2]" 1
738 1 69 LEU HB2 1 70 LEU H 4.410 . 4.850 2.579 2.128 2.996 . 0 0 "[ . 1 . 2]" 1
739 1 4 SER HB3 1 5 ILE H 4.800 . 5.280 4.017 1.979 4.661 . 0 0 "[ . 1 . 2]" 1
740 1 15 GLU HB3 1 16 ARG H 3.500 . 3.850 2.441 2.082 2.847 . 0 0 "[ . 1 . 2]" 1
741 1 17 GLN HB3 1 18 ASN H 4.010 . 4.410 3.768 2.740 4.163 . 0 0 "[ . 1 . 2]" 1
742 1 18 ASN HB3 1 19 MET H 4.090 . 4.500 3.644 2.579 3.951 . 0 0 "[ . 1 . 2]" 1
743 1 20 ASP HB3 1 21 ASP H 4.570 . 5.030 3.809 2.987 4.481 . 0 0 "[ . 1 . 2]" 1
744 1 26 LYS HB2 1 27 THR H 4.380 . 4.820 3.972 3.653 4.279 . 0 0 "[ . 1 . 2]" 1
745 1 32 ASP HB3 1 33 ALA H 3.840 . 4.220 2.878 2.340 3.597 . 0 0 "[ . 1 . 2]" 1
746 1 36 LEU HB3 1 37 SER H 4.050 . 4.460 2.265 2.014 2.611 . 0 0 "[ . 1 . 2]" 1
747 1 39 TYR HB3 1 40 GLN H 4.170 . 4.590 2.752 2.172 4.040 . 0 0 "[ . 1 . 2]" 1
748 1 40 GLN HB3 1 41 VAL H 4.040 . 4.440 2.451 2.262 2.994 . 0 0 "[ . 1 . 2]" 1
749 1 42 ARG HB3 1 43 LEU H 3.980 . 4.380 3.395 2.498 4.117 . 0 0 "[ . 1 . 2]" 1
750 1 43 LEU HB3 1 44 TYR H 4.020 . 4.420 3.459 3.315 3.585 . 0 0 "[ . 1 . 2]" 1
751 1 45 LEU HB3 1 46 GLU H 4.300 . 4.730 3.564 3.392 3.707 . 0 0 "[ . 1 . 2]" 1
752 1 46 GLU HB3 1 47 GLN H 3.870 . 4.260 3.111 2.335 3.863 . 0 0 "[ . 1 . 2]" 1
753 1 48 LEU HB3 1 49 HIS H 4.620 . 5.080 3.712 3.454 3.805 . 0 0 "[ . 1 . 2]" 1
754 1 49 HIS HB3 1 50 ASP H 4.290 . 4.720 2.690 2.375 3.072 . 0 0 "[ . 1 . 2]" 1
755 1 54 LEU HB2 1 55 GLU H 3.810 . 4.190 3.910 3.270 4.180 . 0 0 "[ . 1 . 2]" 1
756 1 64 PRO HB3 1 65 GLY H 4.620 . 5.080 3.938 3.328 4.442 . 0 0 "[ . 1 . 2]" 1
757 1 66 LEU HB3 1 67 TRP H 4.380 . 4.820 2.844 2.437 3.173 . 0 0 "[ . 1 . 2]" 1
758 1 67 TRP HB3 1 68 ARG H 4.530 . 4.980 3.212 2.695 3.585 . 0 0 "[ . 1 . 2]" 1
759 1 68 ARG HB3 1 69 LEU H 4.210 . 4.630 3.783 1.855 4.529 . 0 0 "[ . 1 . 2]" 1
760 1 33 ALA H 1 35 GLY H 4.810 . 5.290 3.979 3.797 4.154 . 0 0 "[ . 1 . 2]" 1
761 1 32 ASP HA 1 35 GLY H 4.370 . 4.810 3.642 3.242 4.069 . 0 0 "[ . 1 . 2]" 1
762 1 33 ALA HA 1 35 GLY H 4.900 . 5.390 4.273 4.032 4.500 . 0 0 "[ . 1 . 2]" 1
763 1 33 ALA MB 1 35 GLY H 4.740 . 5.210 4.440 4.245 4.619 . 0 0 "[ . 1 . 2]" 1
764 1 35 GLY H 1 36 LEU HG 5.060 . 5.570 4.239 4.027 4.454 . 0 0 "[ . 1 . 2]" 1
765 1 35 GLY H 1 36 LEU MD2 5.280 . 5.810 5.120 4.907 5.360 . 0 0 "[ . 1 . 2]" 1
766 1 12 ILE MD 1 35 GLY H 4.740 . 5.210 4.722 4.496 4.998 . 0 0 "[ . 1 . 2]" 1
767 1 5 ILE MG 1 6 VAL H 3.940 . 4.330 2.828 2.090 3.598 . 0 0 "[ . 1 . 2]" 1
768 1 6 VAL MG1 1 7 THR H 3.940 . 4.330 3.379 3.130 3.715 . 0 0 "[ . 1 . 2]" 1
769 1 11 SER H 1 11 SER QB 3.190 . 3.510 2.390 2.248 2.574 . 0 0 "[ . 1 . 2]" 1
770 1 10 ILE MG 1 11 SER H 3.800 . 4.180 3.382 3.158 3.478 . 0 0 "[ . 1 . 2]" 1
771 1 9 ILE MG 1 11 SER H 4.940 . 5.430 5.006 4.877 5.170 . 0 0 "[ . 1 . 2]" 1
772 1 11 SER H 1 12 ILE MD 5.240 . 5.760 5.186 5.060 5.335 . 0 0 "[ . 1 . 2]" 1
773 1 5 ILE HA 1 8 LYS H 4.050 . 4.460 3.527 3.204 4.110 . 0 0 "[ . 1 . 2]" 1
774 1 7 THR MG 1 8 LYS H 4.300 . 4.730 3.544 3.363 3.730 . 0 0 "[ . 1 . 2]" 1
775 1 8 LYS H 1 12 ILE MD 5.140 . 5.650 5.680 5.588 5.716 0.066 20 0 "[ . 1 . 2]" 1
776 1 10 ILE HA 1 13 VAL H 4.520 . 4.970 3.529 3.351 3.737 . 0 0 "[ . 1 . 2]" 1
777 1 11 SER HA 1 14 GLN H 4.570 . 5.030 3.543 3.204 3.898 . 0 0 "[ . 1 . 2]" 1
778 1 14 GLN H 1 14 GLN QG 4.020 . 4.420 4.000 3.966 4.061 . 0 0 "[ . 1 . 2]" 1
779 1 14 GLN H 1 69 LEU MD2 4.090 . 4.500 3.203 2.457 3.945 . 0 0 "[ . 1 . 2]" 1
780 1 11 SER HA 1 15 GLU H 4.720 . 5.190 3.900 3.654 4.094 . 0 0 "[ . 1 . 2]" 1
781 1 45 LEU HA 1 48 LEU H 4.270 . 4.700 3.513 3.239 3.788 . 0 0 "[ . 1 . 2]" 1
782 1 47 GLN HB3 1 48 LEU H 3.960 . 4.360 3.639 3.355 4.038 . 0 0 "[ . 1 . 2]" 1
783 1 48 LEU H 1 53 VAL MG2 5.140 . 5.650 5.505 5.381 5.674 0.024 11 0 "[ . 1 . 2]" 1
784 1 14 GLN HA 1 17 GLN H 4.510 . 4.960 3.593 3.236 4.151 . 0 0 "[ . 1 . 2]" 1
785 1 17 GLN H 1 17 GLN QG 3.670 . 4.040 2.486 2.017 3.965 . 0 0 "[ . 1 . 2]" 1
786 1 16 ARG HG2 1 17 GLN H 4.840 . 5.320 4.431 4.168 4.709 . 0 0 "[ . 1 . 2]" 1
787 1 16 ARG HB3 1 17 GLN H 3.840 . 4.220 3.621 2.842 3.913 . 0 0 "[ . 1 . 2]" 1
788 1 15 GLU H 1 16 ARG HG2 5.320 . 5.850 4.745 4.379 5.251 . 0 0 "[ . 1 . 2]" 1
789 1 12 ILE MG 1 15 GLU H 5.500 . 6.050 4.760 4.571 4.975 . 0 0 "[ . 1 . 2]" 1
790 1 14 GLN H 1 16 ARG H 4.710 . 5.180 4.425 4.186 4.710 . 0 0 "[ . 1 . 2]" 1
791 1 12 ILE HA 1 16 ARG H 5.170 . 5.690 3.996 3.780 4.244 . 0 0 "[ . 1 . 2]" 1
792 1 14 GLN HA 1 16 ARG H 5.500 . 6.050 4.670 4.431 5.143 . 0 0 "[ . 1 . 2]" 1
793 1 13 VAL HA 1 16 ARG H 4.560 . 5.020 3.733 3.572 3.941 . 0 0 "[ . 1 . 2]" 1
794 1 16 ARG H 1 25 VAL MG2 4.530 . 4.980 3.864 3.397 4.349 . 0 0 "[ . 1 . 2]" 1
795 1 12 ILE MG 1 16 ARG H 4.530 . 4.980 3.947 3.635 4.204 . 0 0 "[ . 1 . 2]" 1
796 1 17 GLN H 1 25 VAL MG2 3.940 . 4.330 3.224 2.116 3.792 . 0 0 "[ . 1 . 2]" 1
797 1 13 VAL MG1 1 17 GLN H 4.840 . 5.320 4.251 3.858 4.467 . 0 0 "[ . 1 . 2]" 1
798 1 14 GLN HE21 1 69 LEU MD2 5.030 . 5.530 3.949 2.005 4.874 . 0 0 "[ . 1 . 2]" 1
799 1 14 GLN HE22 1 69 LEU MD2 5.030 . 5.530 4.526 2.499 5.611 0.081 11 0 "[ . 1 . 2]" 1
800 1 14 GLN QG 1 18 ASN HD21 4.540 . 4.990 3.399 2.384 4.568 . 0 0 "[ . 1 . 2]" 1
801 1 14 GLN QG 1 18 ASN HD22 4.540 . 4.990 2.798 1.836 5.141 0.151 15 0 "[ . 1 . 2]" 1
802 1 58 ASN HD21 1 63 VAL MG2 3.990 . 4.390 3.002 1.982 4.456 0.066 11 0 "[ . 1 . 2]" 1
803 1 58 ASN HD22 1 63 VAL MG2 3.990 . 4.390 3.474 2.099 4.483 0.093 7 0 "[ . 1 . 2]" 1
804 1 15 GLU HA 1 18 ASN H 4.330 . 4.760 3.462 3.140 3.845 . 0 0 "[ . 1 . 2]" 1
805 1 17 GLN QG 1 18 ASN H 4.640 . 5.100 4.071 2.440 4.487 . 0 0 "[ . 1 . 2]" 1
806 1 18 ASN H 1 19 MET QB 4.960 . 5.460 4.611 4.365 4.845 . 0 0 "[ . 1 . 2]" 1
807 1 43 LEU HA 1 47 GLN H 5.000 . 5.500 4.193 4.048 4.440 . 0 0 "[ . 1 . 2]" 1
808 1 47 GLN H 1 48 LEU HG 5.180 . 5.700 4.701 4.510 4.772 . 0 0 "[ . 1 . 2]" 1
809 1 9 ILE MG 1 10 ILE H 4.120 . 4.530 3.231 3.101 3.403 . 0 0 "[ . 1 . 2]" 1
810 1 16 ARG HA 1 19 MET H 4.160 . 4.580 3.352 3.084 3.780 . 0 0 "[ . 1 . 2]" 1
811 1 19 MET H 1 19 MET QB 3.200 . 3.520 2.461 2.239 2.724 . 0 0 "[ . 1 . 2]" 1
812 1 20 ASP H 1 22 GLY H 5.160 . 5.680 5.405 4.627 5.746 0.066 2 0 "[ . 1 . 2]" 1
813 1 17 GLN HA 1 20 ASP H 4.690 . 5.160 3.558 2.749 4.243 . 0 0 "[ . 1 . 2]" 1
814 1 19 MET QB 1 20 ASP H 3.790 . 4.170 2.551 2.006 3.625 . 0 0 "[ . 1 . 2]" 1
815 1 21 ASP H 1 23 ALA H 4.980 . 5.480 4.328 3.722 4.964 . 0 0 "[ . 1 . 2]" 1
816 1 23 ALA H 1 24 PRO HD2 5.330 . 5.860 4.904 4.290 5.413 . 0 0 "[ . 1 . 2]" 1
817 1 20 ASP HB2 1 23 ALA H 4.520 . 4.970 4.046 2.910 5.028 0.058 16 0 "[ . 1 . 2]" 1
818 1 20 ASP HB3 1 23 ALA H 4.520 . 4.970 3.382 2.326 4.992 0.022 7 0 "[ . 1 . 2]" 1
819 1 25 VAL H 1 67 TRP H 4.070 . 4.480 3.211 2.747 3.814 . 0 0 "[ . 1 . 2]" 1
820 1 25 VAL H 1 66 LEU MD2 4.780 . 5.260 4.746 4.179 5.287 0.027 2 0 "[ . 1 . 2]" 1
821 1 27 THR H 1 67 TRP HD1 4.460 . 4.910 3.273 2.730 3.547 . 0 0 "[ . 1 . 2]" 1
822 1 27 THR H 1 66 LEU MD2 4.380 . 4.820 3.849 3.133 4.873 0.053 10 0 "[ . 1 . 2]" 1
823 1 28 ARG H 1 38 ILE MD 4.380 . 4.820 4.172 3.452 4.835 0.015 10 0 "[ . 1 . 2]" 1
824 1 27 THR MG 1 28 ARG H 4.250 . 4.680 3.561 3.276 3.772 . 0 0 "[ . 1 . 2]" 1
825 1 26 LYS HA 1 28 ARG H 4.990 . 5.490 4.145 3.836 4.521 . 0 0 "[ . 1 . 2]" 1
826 1 29 ASP H 1 32 ASP H 5.500 . 6.050 4.822 4.619 5.079 . 0 0 "[ . 1 . 2]" 1
827 1 67 TRP HE3 1 68 ARG H 4.590 . 5.050 3.854 3.446 4.225 . 0 0 "[ . 1 . 2]" 1
828 1 43 LEU H 1 46 GLU H 5.500 . 6.050 4.759 4.540 4.951 . 0 0 "[ . 1 . 2]" 1
829 1 44 TYR H 1 46 GLU H 5.500 . 6.050 4.343 4.040 4.555 . 0 0 "[ . 1 . 2]" 1
830 1 25 VAL MG1 1 29 ASP H 5.010 . 5.510 4.452 3.833 5.073 . 0 0 "[ . 1 . 2]" 1
831 1 29 ASP H 1 30 ILE MD 5.150 . 5.670 5.286 3.573 5.510 . 0 0 "[ . 1 . 2]" 1
832 1 25 VAL MG1 1 30 ILE H 4.480 . 4.930 3.457 2.894 3.804 . 0 0 "[ . 1 . 2]" 1
833 1 12 ILE MG 1 30 ILE H 4.930 . 5.420 4.165 3.550 4.936 . 0 0 "[ . 1 . 2]" 1
834 1 29 ASP H 1 31 ALA H 4.840 . 5.320 4.353 4.059 4.774 . 0 0 "[ . 1 . 2]" 1
835 1 28 ARG HA 1 31 ALA H 4.250 . 4.680 3.586 3.177 4.005 . 0 0 "[ . 1 . 2]" 1
836 1 27 THR MG 1 31 ALA H 4.520 . 4.970 3.992 3.736 4.575 . 0 0 "[ . 1 . 2]" 1
837 1 31 ALA H 1 41 VAL MG1 3.950 . 4.350 3.074 2.794 3.274 . 0 0 "[ . 1 . 2]" 1
838 1 30 ILE MG 1 31 ALA H 4.060 . 4.470 3.370 3.039 3.592 . 0 0 "[ . 1 . 2]" 1
839 1 30 ILE MD 1 31 ALA H 4.670 . 5.140 4.461 3.822 4.634 . 0 0 "[ . 1 . 2]" 1
840 1 24 PRO HB3 1 67 TRP H 5.500 . 6.050 4.675 3.829 5.219 . 0 0 "[ . 1 . 2]" 1
841 1 66 LEU MD2 1 67 TRP H 4.260 . 4.690 3.620 3.395 4.619 . 0 0 "[ . 1 . 2]" 1
842 1 31 ALA HA 1 34 ALA H 4.550 . 5.010 3.737 3.269 4.066 . 0 0 "[ . 1 . 2]" 1
843 1 12 ILE MD 1 34 ALA H 3.700 . 4.070 2.874 2.555 3.349 . 0 0 "[ . 1 . 2]" 1
844 1 34 ALA H 1 36 LEU H 4.630 . 5.090 4.098 3.822 4.538 . 0 0 "[ . 1 . 2]" 1
845 1 31 ALA HA 1 36 LEU H 4.240 . 4.660 3.133 2.733 3.710 . 0 0 "[ . 1 . 2]" 1
846 1 34 ALA MB 1 36 LEU H 3.670 . 4.040 2.973 2.380 3.568 . 0 0 "[ . 1 . 2]" 1
847 1 37 SER H 1 40 GLN HB2 4.310 . 4.740 3.859 3.115 4.564 . 0 0 "[ . 1 . 2]" 1
848 1 37 SER H 1 40 GLN HB3 4.310 . 4.740 3.022 2.695 4.446 . 0 0 "[ . 1 . 2]" 1
849 1 36 LEU MD2 1 37 SER H 3.820 . 4.200 3.463 3.313 3.631 . 0 0 "[ . 1 . 2]" 1
850 1 36 LEU MD1 1 37 SER H 4.510 . 4.960 4.274 4.089 4.605 . 0 0 "[ . 1 . 2]" 1
851 1 36 LEU HG 1 37 SER H 4.820 . 5.300 4.847 4.680 5.018 . 0 0 "[ . 1 . 2]" 1
852 1 37 SER HB2 1 39 TYR H 4.820 . 5.300 4.361 3.330 5.090 . 0 0 "[ . 1 . 2]" 1
853 1 38 ILE MG 1 39 TYR H 3.750 . 4.130 3.257 3.030 3.430 . 0 0 "[ . 1 . 2]" 1
854 1 40 GLN H 1 42 ARG H 4.830 . 5.310 4.273 4.037 4.537 . 0 0 "[ . 1 . 2]" 1
855 1 39 TYR QD 1 40 GLN H 4.670 . 5.140 3.395 2.954 3.960 . 0 0 "[ . 1 . 2]" 1
856 1 37 SER HB2 1 40 GLN H 4.900 . 5.390 3.627 2.770 5.011 . 0 0 "[ . 1 . 2]" 1
857 1 40 GLN H 1 41 VAL MG2 4.700 . 5.170 4.240 4.013 4.461 . 0 0 "[ . 1 . 2]" 1
858 1 41 VAL H 1 43 LEU H 4.710 . 5.180 4.229 4.099 4.459 . 0 0 "[ . 1 . 2]" 1
859 1 36 LEU MD1 1 41 VAL H 4.540 . 4.990 4.424 4.103 4.675 . 0 0 "[ . 1 . 2]" 1
860 1 36 LEU HB2 1 41 VAL H 4.870 . 5.360 4.265 3.849 4.594 . 0 0 "[ . 1 . 2]" 1
861 1 31 ALA MB 1 41 VAL H 4.460 . 4.910 4.443 3.976 4.865 . 0 0 "[ . 1 . 2]" 1
862 1 41 VAL MG1 1 43 LEU H 4.780 . 5.260 4.929 4.740 5.107 . 0 0 "[ . 1 . 2]" 1
863 1 44 TYR H 1 44 TYR QB 3.420 . 3.760 2.416 2.330 2.497 . 0 0 "[ . 1 . 2]" 1
864 1 43 LEU MD1 1 44 TYR H 4.840 . 5.320 4.399 4.300 4.530 . 0 0 "[ . 1 . 2]" 1
865 1 9 ILE MD 1 44 TYR H 5.110 . 5.620 4.484 4.022 5.452 . 0 0 "[ . 1 . 2]" 1
866 1 41 VAL MG1 1 44 TYR H 4.980 . 5.480 4.655 4.470 4.823 . 0 0 "[ . 1 . 2]" 1
867 1 47 GLN H 1 49 HIS H 5.030 . 5.530 4.038 3.828 4.353 . 0 0 "[ . 1 . 2]" 1
868 1 49 HIS H 1 67 TRP HZ3 5.300 . 5.830 4.244 3.841 5.416 . 0 0 "[ . 1 . 2]" 1
869 1 49 HIS H 1 54 LEU MD1 4.260 . 4.690 3.788 3.368 4.333 . 0 0 "[ . 1 . 2]" 1
870 1 48 LEU HG 1 49 HIS H 5.150 . 5.670 4.545 4.438 4.696 . 0 0 "[ . 1 . 2]" 1
871 1 49 HIS H 1 53 VAL HB 5.500 . 6.050 4.859 4.632 5.099 . 0 0 "[ . 1 . 2]" 1
872 1 49 HIS H 1 54 LEU HB2 4.920 . 5.410 3.413 3.103 3.785 . 0 0 "[ . 1 . 2]" 1
873 1 47 GLN HA 1 50 ASP H 4.040 . 4.440 3.197 2.944 3.474 . 0 0 "[ . 1 . 2]" 1
874 1 50 ASP H 1 51 VAL MG2 4.650 . 5.120 3.914 3.709 4.050 . 0 0 "[ . 1 . 2]" 1
875 1 51 VAL H 1 53 VAL H 4.780 . 5.260 4.098 3.703 4.696 . 0 0 "[ . 1 . 2]" 1
876 1 48 LEU HA 1 51 VAL H 4.180 . 4.600 3.517 3.388 3.761 . 0 0 "[ . 1 . 2]" 1
877 1 17 GLN HE21 1 69 LEU MD2 5.010 . 5.510 3.851 3.057 5.069 . 0 0 "[ . 1 . 2]" 1
878 1 17 GLN HE22 1 69 LEU MD2 5.010 . 5.510 3.748 2.161 5.536 0.026 15 0 "[ . 1 . 2]" 1
879 1 17 GLN HE21 1 68 ARG QG 4.960 . 5.460 3.773 2.097 5.492 0.032 7 0 "[ . 1 . 2]" 1
880 1 17 GLN HE22 1 68 ARG QG 4.960 . 5.460 3.244 1.880 4.693 . 0 0 "[ . 1 . 2]" 1
881 1 52 GLY H 1 54 LEU H 4.770 . 5.250 4.133 3.627 4.507 . 0 0 "[ . 1 . 2]" 1
882 1 49 HIS HA 1 52 GLY H 4.740 . 5.210 3.727 3.291 4.216 . 0 0 "[ . 1 . 2]" 1
883 1 50 ASP HA 1 52 GLY H 4.900 . 5.390 3.964 3.600 4.512 . 0 0 "[ . 1 . 2]" 1
884 1 51 VAL MG2 1 52 GLY H 4.210 . 4.630 2.830 2.297 3.197 . 0 0 "[ . 1 . 2]" 1
885 1 52 GLY H 1 53 VAL MG2 4.640 . 5.100 3.883 3.461 4.169 . 0 0 "[ . 1 . 2]" 1
886 1 51 VAL MG1 1 52 GLY H 4.370 . 4.810 4.175 4.032 4.310 . 0 0 "[ . 1 . 2]" 1
887 1 49 HIS HA 1 53 VAL H 4.710 . 5.180 3.461 2.825 4.146 . 0 0 "[ . 1 . 2]" 1
888 1 51 VAL MG2 1 53 VAL H 3.930 . 4.320 2.774 2.147 3.530 . 0 0 "[ . 1 . 2]" 1
889 1 48 LEU MD2 1 53 VAL H 4.530 . 4.980 4.619 4.214 4.999 0.019 10 0 "[ . 1 . 2]" 1
890 1 49 HIS HA 1 54 LEU H 3.900 . 4.290 2.532 2.316 3.021 . 0 0 "[ . 1 . 2]" 1
891 1 48 LEU HB3 1 54 LEU H 4.460 . 4.910 3.139 2.810 3.570 . 0 0 "[ . 1 . 2]" 1
892 1 51 VAL MG2 1 54 LEU H 5.130 . 5.640 4.180 3.997 4.441 . 0 0 "[ . 1 . 2]" 1
893 1 55 GLU H 1 68 ARG H 4.190 . 4.610 2.979 2.402 3.339 . 0 0 "[ . 1 . 2]" 1
894 1 55 GLU H 1 70 LEU H 5.120 . 5.630 4.468 3.737 5.208 . 0 0 "[ . 1 . 2]" 1
895 1 55 GLU H 1 69 LEU HA 4.610 . 5.070 3.008 2.428 3.476 . 0 0 "[ . 1 . 2]" 1
896 1 54 LEU MD2 1 55 GLU H 3.880 . 4.270 3.487 3.286 3.758 . 0 0 "[ . 1 . 2]" 1
897 1 57 VAL H 1 67 TRP HA 4.570 . 5.030 3.325 2.827 3.834 . 0 0 "[ . 1 . 2]" 1
898 1 55 GLU HA 1 56 LYS H 3.280 . 3.610 2.271 2.176 2.423 . 0 0 "[ . 1 . 2]" 1
899 1 55 GLU HG2 1 56 LYS H 4.580 . 5.040 3.686 2.363 4.910 . 0 0 "[ . 1 . 2]" 1
900 1 55 GLU QB 1 56 LYS H 4.300 . 4.730 3.531 2.806 3.840 . 0 0 "[ . 1 . 2]" 1
901 1 55 GLU HG3 1 56 LYS H 4.580 . 5.040 2.823 2.074 4.646 . 0 0 "[ . 1 . 2]" 1
902 1 57 VAL H 1 66 LEU HB2 4.780 . 5.260 3.783 2.990 4.141 . 0 0 "[ . 1 . 2]" 1
903 1 71 GLU H 1 71 GLU HB2 4.170 . 4.590 3.105 2.374 3.720 . 0 0 "[ . 1 . 2]" 1
904 1 71 GLU H 1 71 GLU HB3 4.170 . 4.590 3.111 2.428 4.131 . 0 0 "[ . 1 . 2]" 1
905 1 70 LEU QB 1 71 GLU H 3.940 . 4.330 3.585 2.459 4.057 . 0 0 "[ . 1 . 2]" 1
906 1 70 LEU MD2 1 71 GLU H 4.410 . 4.850 3.758 2.291 4.744 . 0 0 "[ . 1 . 2]" 1
907 1 70 LEU H 1 71 GLU H 4.560 . 5.020 3.470 1.876 4.608 . 0 0 "[ . 1 . 2]" 1
908 1 54 LEU HA 1 70 LEU H 3.980 . 4.380 3.589 3.266 4.405 0.025 18 0 "[ . 1 . 2]" 1
909 1 70 LEU H 1 70 LEU QB 3.460 . 3.810 2.781 2.422 3.202 . 0 0 "[ . 1 . 2]" 1
910 1 70 LEU H 1 70 LEU HG 3.480 . 3.830 2.677 2.155 3.315 . 0 0 "[ . 1 . 2]" 1
911 1 69 LEU MD1 1 70 LEU H 3.650 . 4.020 3.510 3.045 4.066 0.046 11 0 "[ . 1 . 2]" 1
912 1 59 ALA H 1 63 VAL MG2 4.690 . 5.160 2.706 1.776 4.402 0.024 4 0 "[ . 1 . 2]" 1
913 1 58 ASN QB 1 59 ALA H 4.440 . 4.880 3.306 1.850 4.064 . 0 0 "[ . 1 . 2]" 1
914 1 58 ASN H 1 59 ALA H 4.950 . 5.440 3.932 2.521 4.419 . 0 0 "[ . 1 . 2]" 1
915 1 58 ASN HA 1 59 ALA H 3.560 . 3.920 2.399 2.138 3.574 . 0 0 "[ . 1 . 2]" 1
916 1 61 LYS HA 1 63 VAL H 4.770 . 5.250 4.151 3.187 5.272 0.022 10 0 "[ . 1 . 2]" 1
917 1 57 VAL HB 1 66 LEU H 4.720 . 5.190 3.475 2.812 3.997 . 0 0 "[ . 1 . 2]" 1
918 1 56 LYS HA 1 68 ARG H 5.010 . 5.510 4.126 3.465 4.564 . 0 0 "[ . 1 . 2]" 1
919 1 55 GLU QB 1 68 ARG H 4.330 . 4.760 3.574 2.943 4.498 . 0 0 "[ . 1 . 2]" 1
920 1 54 LEU MD2 1 68 ARG H 4.680 . 5.150 4.011 3.245 4.778 . 0 0 "[ . 1 . 2]" 1
921 1 57 VAL MG2 1 68 ARG H 4.310 . 4.740 3.153 2.555 3.766 . 0 0 "[ . 1 . 2]" 1
922 1 70 LEU H 1 70 LEU MD2 3.750 . 4.130 2.494 1.701 3.422 0.099 9 0 "[ . 1 . 2]" 1
923 1 41 VAL MG1 1 42 ARG H 3.560 . 3.920 3.337 3.142 3.529 . 0 0 "[ . 1 . 2]" 1
924 1 38 ILE MD 1 42 ARG H 5.110 . 5.620 5.315 4.917 5.671 0.051 14 0 "[ . 1 . 2]" 1
925 1 61 LYS H 1 61 LYS HG3 4.890 . 5.380 3.637 2.017 4.690 . 0 0 "[ . 1 . 2]" 1
926 1 42 ARG H 1 42 ARG QD 4.760 . 5.240 3.997 1.995 4.733 . 0 0 "[ . 1 . 2]" 1
927 1 61 LYS H 1 61 LYS HG2 4.890 . 5.380 3.863 2.161 5.293 . 0 0 "[ . 1 . 2]" 1
928 1 27 THR MG 1 67 TRP HE1 4.350 . 4.790 3.363 2.765 4.266 . 0 0 "[ . 1 . 2]" 1
929 1 26 LYS H 1 66 LEU MD2 4.530 . 4.980 4.172 3.839 4.961 . 0 0 "[ . 1 . 2]" 1
930 1 11 SER QB 1 12 ILE H 3.770 . 4.150 2.818 2.472 3.693 . 0 0 "[ . 1 . 2]" 1
931 1 57 VAL HB 1 58 ASN H 4.690 . 5.160 4.306 3.811 4.469 . 0 0 "[ . 1 . 2]" 1
932 1 57 VAL MG1 1 58 ASN H 4.030 . 4.430 3.093 2.234 3.779 . 0 0 "[ . 1 . 2]" 1
933 1 57 VAL MG2 1 58 ASN H 4.740 . 5.210 4.202 3.930 4.335 . 0 0 "[ . 1 . 2]" 1
934 1 27 THR HA 1 67 TRP HE1 4.540 . 4.990 3.559 2.406 4.833 . 0 0 "[ . 1 . 2]" 1
935 1 66 LEU HA 1 67 TRP HE1 5.040 . 5.540 4.724 4.302 5.156 . 0 0 "[ . 1 . 2]" 1
936 1 16 ARG HB2 1 17 GLN H 3.840 . 4.220 2.693 2.370 3.002 . 0 0 "[ . 1 . 2]" 1
937 1 16 ARG H 1 18 ASN H 4.760 . 5.240 4.068 3.798 4.421 . 0 0 "[ . 1 . 2]" 1
938 1 43 LEU HA 1 46 GLU H 4.450 . 4.890 3.738 3.451 4.058 . 0 0 "[ . 1 . 2]" 1
939 1 42 ARG HA 1 46 GLU H 4.750 . 5.220 3.816 3.403 4.161 . 0 0 "[ . 1 . 2]" 1
940 1 46 GLU H 1 46 GLU QG 3.860 . 4.250 3.067 2.082 4.000 . 0 0 "[ . 1 . 2]" 1
941 1 45 LEU HG 1 46 GLU H 4.950 . 5.440 4.318 4.237 4.460 . 0 0 "[ . 1 . 2]" 1
942 1 29 ASP HA 1 32 ASP H 4.400 . 4.840 3.648 3.082 4.064 . 0 0 "[ . 1 . 2]" 1
943 1 57 VAL H 1 66 LEU H 4.900 . 5.390 3.675 2.961 4.060 . 0 0 "[ . 1 . 2]" 1
944 1 48 LEU H 1 50 ASP H 4.820 . 5.300 4.169 3.780 4.535 . 0 0 "[ . 1 . 2]" 1
945 1 8 LYS HA 1 10 ILE H 4.890 . 5.380 4.624 4.353 4.755 . 0 0 "[ . 1 . 2]" 1
946 1 15 GLU HA 1 18 ASN HD21 4.990 . 5.490 2.991 1.891 4.916 . 0 0 "[ . 1 . 2]" 1
947 1 12 ILE MD 1 33 ALA H 5.160 . 5.680 4.030 3.666 4.817 . 0 0 "[ . 1 . 2]" 1
948 1 30 ILE MG 1 33 ALA H 5.500 . 6.050 4.886 4.634 5.090 . 0 0 "[ . 1 . 2]" 1
949 1 32 ASP H 1 33 ALA H 3.190 . 3.510 2.770 2.616 2.969 . 0 0 "[ . 1 . 2]" 1
950 1 26 LYS HB3 1 29 ASP H 4.160 . 4.580 3.442 2.836 3.982 . 0 0 "[ . 1 . 2]" 1
951 1 7 THR MG 1 11 SER H 5.100 . 5.610 3.935 3.594 4.430 . 0 0 "[ . 1 . 2]" 1
952 1 36 LEU HB3 1 41 VAL H 4.870 . 5.360 4.011 3.632 4.257 . 0 0 "[ . 1 . 2]" 1
953 1 44 TYR QB 1 45 LEU H 3.870 . 4.260 2.562 2.367 2.764 . 0 0 "[ . 1 . 2]" 1
954 1 47 GLN HB2 1 48 LEU H 3.960 . 4.360 2.762 2.330 3.875 . 0 0 "[ . 1 . 2]" 1
955 1 31 ALA H 1 41 VAL MG2 3.990 . 4.390 3.490 2.949 3.930 . 0 0 "[ . 1 . 2]" 1
956 1 26 LYS HA 1 67 TRP H 4.510 . 4.960 3.827 3.317 4.141 . 0 0 "[ . 1 . 2]" 1
957 1 54 LEU MD1 1 55 GLU H 4.750 . 5.220 4.688 4.081 5.099 . 0 0 "[ . 1 . 2]" 1
958 1 42 ARG HA 1 45 LEU H 4.320 . 4.750 3.431 2.932 3.898 . 0 0 "[ . 1 . 2]" 1
959 1 40 GLN HA 1 43 LEU H 3.920 . 4.310 3.626 3.274 3.788 . 0 0 "[ . 1 . 2]" 1
960 1 43 LEU H 1 44 TYR H 2.540 . 2.790 2.806 2.742 2.835 0.045 15 0 "[ . 1 . 2]" 1
961 1 5 ILE H 1 5 ILE QG 4.300 . 4.730 3.262 2.020 4.105 . 0 0 "[ . 1 . 2]" 1
962 1 5 ILE HA 1 8 LYS QB 3.950 . 4.350 2.740 2.230 4.043 . 0 0 "[ . 1 . 2]" 1
963 1 8 LYS H 1 8 LYS QB 3.100 . 3.410 2.251 2.223 2.311 . 0 0 "[ . 1 . 2]" 1
964 1 8 LYS HA 1 8 LYS QG 3.690 . 4.060 2.687 2.438 3.092 . 0 0 "[ . 1 . 2]" 1
965 1 8 LYS QB 1 9 ILE H 3.290 . 3.620 2.412 2.228 2.643 . 0 0 "[ . 1 . 2]" 1
966 1 8 LYS QB 1 34 ALA MB 5.030 . 5.530 4.107 3.329 4.855 . 0 0 "[ . 1 . 2]" 1
967 1 8 LYS QG 1 12 ILE MG 4.800 . 5.280 4.889 4.622 5.176 . 0 0 "[ . 1 . 2]" 1
968 1 8 LYS QG 1 12 ILE MD 4.070 . 4.480 2.286 2.128 2.448 . 0 0 "[ . 1 . 2]" 1
969 1 8 LYS QG 1 34 ALA HA 4.820 . 5.300 3.492 2.577 4.658 . 0 0 "[ . 1 . 2]" 1
970 1 9 ILE HA 1 9 ILE QG 3.670 . 4.040 2.368 2.335 2.388 . 0 0 "[ . 1 . 2]" 1
971 1 9 ILE HA 1 12 ILE QG 4.860 . 5.350 3.139 2.778 3.693 . 0 0 "[ . 1 . 2]" 1
972 1 9 ILE QG 1 34 ALA MB 4.470 . 4.920 2.754 2.086 3.574 . 0 0 "[ . 1 . 2]" 1
973 1 9 ILE QG 1 41 VAL MG2 4.520 . 4.970 4.038 3.282 4.614 . 0 0 "[ . 1 . 2]" 1
974 1 10 ILE H 1 10 ILE QG 3.440 . 3.780 2.038 1.985 2.143 . 0 0 "[ . 1 . 2]" 1
975 1 10 ILE QG 1 11 SER H 4.620 . 5.080 3.995 3.947 4.076 . 0 0 "[ . 1 . 2]" 1
976 1 12 ILE H 1 12 ILE QG 3.310 . 3.640 2.129 1.998 2.328 . 0 0 "[ . 1 . 2]" 1
977 1 12 ILE MG 1 16 ARG QD 4.180 . 4.600 3.747 3.043 4.558 . 0 0 "[ . 1 . 2]" 1
978 1 12 ILE MG 1 30 ILE QG 4.270 . 4.700 2.572 2.064 3.076 . 0 0 "[ . 1 . 2]" 1
979 1 12 ILE QG 1 33 ALA MB 4.210 . 4.630 2.821 2.404 3.639 . 0 0 "[ . 1 . 2]" 1
980 1 12 ILE QG 1 34 ALA MB 4.550 . 5.010 4.032 3.765 4.522 . 0 0 "[ . 1 . 2]" 1
981 1 13 VAL HA 1 30 ILE QG 5.060 . 5.570 3.796 3.310 4.630 . 0 0 "[ . 1 . 2]" 1
982 1 13 VAL MG1 1 17 GLN QB 4.640 . 5.100 4.039 2.881 4.401 . 0 0 "[ . 1 . 2]" 1
983 1 13 VAL MG2 1 30 ILE QG 5.340 . 5.870 2.897 2.433 3.472 . 0 0 "[ . 1 . 2]" 1
984 1 14 GLN HA 1 14 GLN QE 4.880 . 5.370 4.124 2.736 4.642 . 0 0 "[ . 1 . 2]" 1
985 1 14 GLN QB 1 15 GLU H 3.190 . 3.510 2.475 2.285 2.656 . 0 0 "[ . 1 . 2]" 1
986 1 14 GLN QG 1 18 ASN QD 3.920 . 4.310 2.555 1.787 4.075 0.013 17 0 "[ . 1 . 2]" 1
987 1 14 GLN QE 1 69 LEU MD2 4.240 . 4.660 3.636 1.927 4.549 . 0 0 "[ . 1 . 2]" 1
988 1 15 GLU H 1 15 GLU QG 4.110 . 4.520 4.010 3.960 4.089 . 0 0 "[ . 1 . 2]" 1
989 1 15 GLU HA 1 15 GLU QG 3.680 . 4.050 2.662 2.337 3.171 . 0 0 "[ . 1 . 2]" 1
990 1 15 GLU HA 1 18 ASN QB 3.750 . 4.130 2.693 2.214 3.078 . 0 0 "[ . 1 . 2]" 1
991 1 15 GLU HA 1 18 ASN QD 4.370 . 4.810 2.889 1.872 4.589 . 0 0 "[ . 1 . 2]" 1
992 1 16 ARG H 1 16 ARG QB 3.340 . 3.670 2.442 2.224 2.582 . 0 0 "[ . 1 . 2]" 1
993 1 16 ARG HA 1 19 MET QG 4.390 . 4.830 2.818 1.753 4.047 0.047 3 0 "[ . 1 . 2]" 1
994 1 16 ARG QB 1 17 GLN H 3.270 . 3.600 2.620 2.331 2.911 . 0 0 "[ . 1 . 2]" 1
995 1 16 ARG QB 1 25 VAL MG1 3.670 . 4.040 2.645 1.962 3.269 . 0 0 "[ . 1 . 2]" 1
996 1 16 ARG QB 1 25 VAL MG2 3.630 . 3.990 1.916 1.787 2.136 0.013 13 0 "[ . 1 . 2]" 1
997 1 17 GLN H 1 17 GLN QB 3.310 . 3.640 2.384 2.209 2.551 . 0 0 "[ . 1 . 2]" 1
998 1 17 GLN HA 1 17 GLN QE 5.010 . 5.510 4.509 3.507 4.926 . 0 0 "[ . 1 . 2]" 1
999 1 17 GLN QE 1 68 ARG QB 4.160 . 4.580 3.398 1.781 4.638 0.058 8 0 "[ . 1 . 2]" 1
1000 1 17 GLN QE 1 68 ARG QG 4.280 . 4.710 3.037 1.865 4.443 . 0 0 "[ . 1 . 2]" 1
1001 1 17 GLN QE 1 69 LEU H 4.290 . 4.720 2.349 1.787 3.362 0.013 12 0 "[ . 1 . 2]" 1
1002 1 17 GLN QE 1 69 LEU QB 4.130 . 4.540 3.673 2.683 4.486 . 0 0 "[ . 1 . 2]" 1
1003 1 17 GLN QE 1 69 LEU MD1 4.580 . 5.040 3.022 2.176 4.697 . 0 0 "[ . 1 . 2]" 1
1004 1 18 ASN H 1 18 ASN QB 3.070 . 3.380 2.363 2.188 2.456 . 0 0 "[ . 1 . 2]" 1
1005 1 18 ASN QB 1 19 MET H 3.540 . 3.890 2.809 2.466 3.035 . 0 0 "[ . 1 . 2]" 1
1006 1 19 MET H 1 19 MET QG 3.520 . 3.870 2.330 2.071 2.846 . 0 0 "[ . 1 . 2]" 1
1007 1 19 MET HA 1 19 MET QG 3.500 . 3.850 2.916 2.341 3.358 . 0 0 "[ . 1 . 2]" 1
1008 1 20 ASP H 1 20 ASP QB 3.360 . 3.700 2.553 2.288 2.924 . 0 0 "[ . 1 . 2]" 1
1009 1 20 ASP QB 1 21 ASP H 3.910 . 4.300 3.293 2.076 3.900 . 0 0 "[ . 1 . 2]" 1
1010 1 20 ASP QB 1 22 GLY H 4.900 . 5.390 3.888 2.856 5.078 . 0 0 "[ . 1 . 2]" 1
1011 1 20 ASP QB 1 23 ALA H 3.850 . 4.230 3.075 2.293 4.065 . 0 0 "[ . 1 . 2]" 1
1012 1 20 ASP QB 1 23 ALA MB 3.430 . 3.770 1.978 1.748 3.095 0.052 17 0 "[ . 1 . 2]" 1
1013 1 21 ASP H 1 21 ASP QB 3.550 . 3.900 2.740 2.225 3.377 . 0 0 "[ . 1 . 2]" 1
1014 1 23 ALA H 1 24 PRO QD 4.560 . 5.020 4.223 3.697 4.449 . 0 0 "[ . 1 . 2]" 1
1015 1 23 ALA HA 1 24 PRO QD 2.980 . 3.280 1.949 1.788 2.128 0.012 13 0 "[ . 1 . 2]" 1
1016 1 23 ALA MB 1 24 PRO QG 4.640 . 5.100 4.180 3.546 4.634 . 0 0 "[ . 1 . 2]" 1
1017 1 23 ALA MB 1 24 PRO QD 3.230 . 3.550 2.767 2.156 3.242 . 0 0 "[ . 1 . 2]" 1
1018 1 24 PRO QG 1 25 VAL H 4.230 . 4.650 4.467 3.866 4.700 0.050 14 0 "[ . 1 . 2]" 1
1019 1 24 PRO QG 1 57 VAL MG1 4.010 . 4.410 2.664 1.795 3.656 0.005 1 0 "[ . 1 . 2]" 1
1020 1 24 PRO QG 1 57 VAL MG2 4.450 . 4.890 3.408 2.081 4.464 . 0 0 "[ . 1 . 2]" 1
1021 1 24 PRO QG 1 66 LEU HB2 4.380 . 4.820 3.500 2.067 4.192 . 0 0 "[ . 1 . 2]" 1
1022 1 24 PRO QG 1 66 LEU HB3 4.740 . 5.210 2.950 1.793 3.708 0.007 1 0 "[ . 1 . 2]" 1
1023 1 24 PRO QG 1 66 LEU MD1 3.750 . 4.130 2.128 1.787 3.627 0.013 8 0 "[ . 1 . 2]" 1
1024 1 24 PRO QG 1 66 LEU MD2 3.400 . 3.740 3.387 2.037 3.794 0.054 15 0 "[ . 1 . 2]" 1
1025 1 24 PRO QG 1 67 TRP H 5.350 . 5.890 5.054 4.259 5.687 . 0 0 "[ . 1 . 2]" 1
1026 1 24 PRO QD 1 66 LEU MD2 5.350 . 5.890 4.649 3.212 5.412 . 0 0 "[ . 1 . 2]" 1
1027 1 25 VAL HB 1 67 TRP QB 4.700 . 5.170 2.699 2.055 3.378 . 0 0 "[ . 1 . 2]" 1
1028 1 25 VAL MG1 1 29 ASP QB 3.920 . 4.310 2.802 1.933 3.766 . 0 0 "[ . 1 . 2]" 1
1029 1 25 VAL MG1 1 30 ILE QG 3.490 . 3.840 2.157 1.890 3.432 . 0 0 "[ . 1 . 2]" 1
1030 1 26 LYS H 1 29 ASP QB 4.770 . 5.250 3.046 2.420 4.309 . 0 0 "[ . 1 . 2]" 1
1031 1 26 LYS HB2 1 26 LYS QD 2.530 . 2.780 2.322 2.215 2.421 . 0 0 "[ . 1 . 2]" 1
1032 1 26 LYS HB2 1 29 ASP QB 4.300 . 4.730 3.023 1.889 4.269 . 0 0 "[ . 1 . 2]" 1
1033 1 26 LYS HB3 1 26 LYS QD 3.350 . 3.690 3.317 3.283 3.338 . 0 0 "[ . 1 . 2]" 1
1034 1 26 LYS QD 1 26 LYS HG3 2.640 . 2.900 2.326 2.262 2.379 . 0 0 "[ . 1 . 2]" 1
1035 1 26 LYS QD 1 27 THR H 5.340 . 5.870 4.990 4.830 5.124 . 0 0 "[ . 1 . 2]" 1
1036 1 27 THR MG 1 42 ARG QG 4.390 . 4.830 3.244 2.017 4.554 . 0 0 "[ . 1 . 2]" 1
1037 1 28 ARG H 1 28 ARG QG 3.350 . 3.690 2.431 1.846 3.545 . 0 0 "[ . 1 . 2]" 1
1038 1 28 ARG HA 1 28 ARG QG 3.560 . 3.920 2.678 2.322 3.467 . 0 0 "[ . 1 . 2]" 1
1039 1 28 ARG HA 1 38 ILE QG 4.640 . 5.100 4.514 3.969 5.138 0.038 10 0 "[ . 1 . 2]" 1
1040 1 28 ARG QB 1 28 ARG QG 2.330 . 2.560 2.040 1.986 2.094 . 0 0 "[ . 1 . 2]" 1
1041 1 28 ARG QB 1 28 ARG QD 3.130 . 3.440 2.423 2.128 2.875 . 0 0 "[ . 1 . 2]" 1
1042 1 28 ARG QB 1 29 ASP H 3.690 . 4.060 2.474 2.123 3.479 . 0 0 "[ . 1 . 2]" 1
1043 1 28 ARG QG 1 38 ILE MD 4.450 . 4.890 3.112 1.953 4.194 . 0 0 "[ . 1 . 2]" 1
1044 1 28 ARG QD 1 38 ILE QG 5.180 . 5.700 4.251 3.269 5.404 . 0 0 "[ . 1 . 2]" 1
1045 1 28 ARG QD 1 38 ILE MD 3.900 . 4.290 3.007 1.880 4.204 . 0 0 "[ . 1 . 2]" 1
1046 1 29 ASP H 1 29 ASP QB 3.290 . 3.620 2.435 2.207 2.881 . 0 0 "[ . 1 . 2]" 1
1047 1 29 ASP HA 1 32 ASP QB 3.730 . 4.100 2.779 2.051 3.181 . 0 0 "[ . 1 . 2]" 1
1048 1 29 ASP QB 1 30 ILE H 3.700 . 4.070 2.548 2.334 3.558 . 0 0 "[ . 1 . 2]" 1
1049 1 29 ASP QB 1 30 ILE QG 4.640 . 5.100 3.222 2.880 4.286 . 0 0 "[ . 1 . 2]" 1
1050 1 30 ILE H 1 30 ILE QG 3.040 . 3.340 2.084 1.911 3.219 . 0 0 "[ . 1 . 2]" 1
1051 1 30 ILE HB 1 30 ILE QG 2.480 . 2.730 2.379 2.370 2.429 . 0 0 "[ . 1 . 2]" 1
1052 1 30 ILE QG 1 30 ILE MG 3.130 . 3.440 2.329 2.111 2.350 . 0 0 "[ . 1 . 2]" 1
1053 1 30 ILE MD 1 67 TRP QB 4.170 . 4.590 2.961 2.294 3.933 . 0 0 "[ . 1 . 2]" 1
1054 1 31 ALA HA 1 36 LEU QB 4.390 . 4.830 3.135 2.592 3.824 . 0 0 "[ . 1 . 2]" 1
1055 1 31 ALA MB 1 32 ASP QB 4.810 . 5.290 3.953 3.593 4.374 . 0 0 "[ . 1 . 2]" 1
1056 1 32 ASP H 1 32 ASP QB 3.080 . 3.390 2.280 2.178 2.391 . 0 0 "[ . 1 . 2]" 1
1057 1 32 ASP QB 1 33 ALA H 3.300 . 3.630 2.485 2.286 2.636 . 0 0 "[ . 1 . 2]" 1
1058 1 32 ASP QB 1 33 ALA MB 4.700 . 5.170 3.741 3.625 3.878 . 0 0 "[ . 1 . 2]" 1
1059 1 36 LEU H 1 36 LEU QB 3.380 . 3.720 2.572 2.481 2.682 . 0 0 "[ . 1 . 2]" 1
1060 1 36 LEU QB 1 36 LEU MD2 3.070 . 3.380 2.337 2.302 2.364 . 0 0 "[ . 1 . 2]" 1
1061 1 36 LEU QB 1 37 SER H 3.390 . 3.730 2.234 1.996 2.564 . 0 0 "[ . 1 . 2]" 1
1062 1 36 LEU QB 1 40 GLN QB 4.000 . 4.400 2.895 2.441 3.437 . 0 0 "[ . 1 . 2]" 1
1063 1 36 LEU QB 1 41 VAL H 4.250 . 4.680 3.672 3.336 3.922 . 0 0 "[ . 1 . 2]" 1
1064 1 36 LEU QB 1 41 VAL HB 4.620 . 5.080 4.417 4.291 4.659 . 0 0 "[ . 1 . 2]" 1
1065 1 36 LEU QB 1 41 VAL MG2 3.390 . 3.730 1.991 1.860 2.131 . 0 0 "[ . 1 . 2]" 1
1066 1 36 LEU MD1 1 40 GLN QG 4.350 . 4.790 2.946 2.179 3.977 . 0 0 "[ . 1 . 2]" 1
1067 1 36 LEU MD2 1 40 GLN QB 4.240 . 4.660 4.100 3.469 4.531 . 0 0 "[ . 1 . 2]" 1
1068 1 36 LEU MD2 1 40 GLN QG 4.370 . 4.810 3.593 2.184 4.501 . 0 0 "[ . 1 . 2]" 1
1069 1 36 LEU MD2 1 40 GLN QE 4.670 . 5.140 3.532 1.799 5.170 0.030 12 0 "[ . 1 . 2]" 1
1070 1 37 SER H 1 37 SER QB 3.440 . 3.780 2.407 2.252 2.540 . 0 0 "[ . 1 . 2]" 1
1071 1 37 SER H 1 40 GLN QB 3.640 . 4.000 2.872 2.602 3.370 . 0 0 "[ . 1 . 2]" 1
1072 1 37 SER H 1 40 GLN QG 4.610 . 5.070 4.129 3.519 5.007 . 0 0 "[ . 1 . 2]" 1
1073 1 37 SER QB 1 38 ILE H 3.570 . 3.930 3.031 2.630 3.560 . 0 0 "[ . 1 . 2]" 1
1074 1 37 SER QB 1 39 TYR H 3.960 . 4.360 3.452 2.881 4.033 . 0 0 "[ . 1 . 2]" 1
1075 1 37 SER QB 1 40 GLN H 4.200 . 4.620 2.879 2.520 3.455 . 0 0 "[ . 1 . 2]" 1
1076 1 38 ILE HA 1 38 ILE QG 3.640 . 4.000 2.929 2.855 2.984 . 0 0 "[ . 1 . 2]" 1
1077 1 38 ILE QG 1 39 TYR H 4.190 . 4.610 3.977 3.844 4.091 . 0 0 "[ . 1 . 2]" 1
1078 1 39 TYR HA 1 42 ARG QG 4.780 . 5.260 3.279 1.960 4.929 . 0 0 "[ . 1 . 2]" 1
1079 1 39 TYR QB 1 40 GLN H 3.630 . 3.990 2.634 2.156 3.485 . 0 0 "[ . 1 . 2]" 1
1080 1 40 GLN H 1 40 GLN QB 3.240 . 3.560 2.239 2.209 2.321 . 0 0 "[ . 1 . 2]" 1
1081 1 40 GLN HA 1 40 GLN QG 3.590 . 3.950 2.673 2.425 2.970 . 0 0 "[ . 1 . 2]" 1
1082 1 40 GLN QB 1 41 VAL MG2 4.350 . 4.790 3.101 2.945 3.263 . 0 0 "[ . 1 . 2]" 1
1083 1 40 GLN QG 1 41 VAL MG2 4.850 . 5.330 3.794 3.510 4.707 . 0 0 "[ . 1 . 2]" 1
1084 1 40 GLN QG 1 44 TYR QD 4.640 . 5.100 3.051 2.549 5.164 0.064 2 0 "[ . 1 . 2]" 1
1085 1 42 ARG H 1 42 ARG QB 3.350 . 3.690 2.368 2.167 2.523 . 0 0 "[ . 1 . 2]" 1
1086 1 42 ARG H 1 42 ARG QG 3.940 . 4.330 2.927 2.238 4.084 . 0 0 "[ . 1 . 2]" 1
1087 1 42 ARG HA 1 45 LEU QB 3.690 . 4.060 2.517 2.117 3.194 . 0 0 "[ . 1 . 2]" 1
1088 1 42 ARG QB 1 42 ARG QD 3.050 . 3.360 2.351 2.124 2.770 . 0 0 "[ . 1 . 2]" 1
1089 1 42 ARG QB 1 43 LEU H 3.490 . 3.840 2.867 2.439 3.632 . 0 0 "[ . 1 . 2]" 1
1090 1 42 ARG QB 1 45 LEU MD1 5.340 . 5.870 3.952 2.803 5.036 . 0 0 "[ . 1 . 2]" 1
1091 1 42 ARG QG 1 43 LEU H 5.150 . 5.670 3.595 2.258 4.371 . 0 0 "[ . 1 . 2]" 1
1092 1 42 ARG QG 1 45 LEU MD1 5.340 . 5.870 3.981 2.527 4.967 . 0 0 "[ . 1 . 2]" 1
1093 1 43 LEU H 1 43 LEU QB 3.000 . 3.300 2.466 2.367 2.518 . 0 0 "[ . 1 . 2]" 1
1094 1 43 LEU QB 1 43 LEU HG 2.530 . 2.780 2.358 2.344 2.377 . 0 0 "[ . 1 . 2]" 1
1095 1 43 LEU QB 1 44 TYR H 3.440 . 3.780 2.387 2.269 2.503 . 0 0 "[ . 1 . 2]" 1
1096 1 45 LEU H 1 45 LEU QB 3.470 . 3.820 2.462 2.382 2.511 . 0 0 "[ . 1 . 2]" 1
1097 1 45 LEU H 1 46 GLU QB 4.250 . 4.680 4.589 4.324 4.759 0.079 7 0 "[ . 1 . 2]" 1
1098 1 45 LEU QB 1 46 GLU H 3.670 . 4.040 2.477 2.323 2.626 . 0 0 "[ . 1 . 2]" 1
1099 1 45 LEU QB 1 54 LEU MD1 5.280 . 5.810 2.886 2.576 3.193 . 0 0 "[ . 1 . 2]" 1
1100 1 45 LEU MD2 1 67 TRP QB 5.340 . 5.870 3.358 2.974 4.047 . 0 0 "[ . 1 . 2]" 1
1101 1 46 GLU H 1 46 GLU QB 3.240 . 3.560 2.323 2.139 2.513 . 0 0 "[ . 1 . 2]" 1
1102 1 46 GLU HA 1 49 HIS QB 3.730 . 4.100 2.570 2.134 3.170 . 0 0 "[ . 1 . 2]" 1
1103 1 46 GLU QB 1 47 GLN H 3.350 . 3.690 2.549 2.286 2.856 . 0 0 "[ . 1 . 2]" 1
1104 1 47 GLN H 1 47 GLN QG 3.480 . 3.830 2.225 1.996 2.536 . 0 0 "[ . 1 . 2]" 1
1105 1 47 GLN HA 1 47 GLN QG 3.470 . 3.820 2.746 2.365 3.359 . 0 0 "[ . 1 . 2]" 1
1106 1 47 GLN HA 1 50 ASP QB 3.620 . 3.980 2.559 2.102 3.174 . 0 0 "[ . 1 . 2]" 1
1107 1 47 GLN QB 1 48 LEU H 3.450 . 3.790 2.661 2.289 3.482 . 0 0 "[ . 1 . 2]" 1
1108 1 49 HIS QB 1 50 ASP H 3.600 . 3.960 2.647 2.352 2.997 . 0 0 "[ . 1 . 2]" 1
1109 1 50 ASP H 1 50 ASP QB 3.210 . 3.530 2.267 2.194 2.482 . 0 0 "[ . 1 . 2]" 1
1110 1 50 ASP QB 1 51 VAL H 3.630 . 3.990 2.669 2.335 3.105 . 0 0 "[ . 1 . 2]" 1
1111 1 50 ASP QB 1 51 VAL MG1 3.840 . 4.220 3.043 2.813 3.329 . 0 0 "[ . 1 . 2]" 1
1112 1 52 GLY QA 1 70 LEU MD1 5.340 . 5.870 3.507 2.213 4.999 . 0 0 "[ . 1 . 2]" 1
1113 1 52 GLY QA 1 70 LEU MD2 4.510 . 4.960 3.985 3.222 4.923 . 0 0 "[ . 1 . 2]" 1
1114 1 54 LEU MD1 1 67 TRP QB 3.980 . 4.380 2.496 1.903 3.294 . 0 0 "[ . 1 . 2]" 1
1115 1 54 LEU MD2 1 67 TRP QB 4.220 . 4.640 3.148 2.604 4.152 . 0 0 "[ . 1 . 2]" 1
1116 1 55 GLU QB 1 68 ARG QB 4.010 . 4.410 3.090 1.791 4.364 0.009 20 0 "[ . 1 . 2]" 1
1117 1 55 GLU QG 1 56 LYS H 4.030 . 4.430 2.616 2.062 3.859 . 0 0 "[ . 1 . 2]" 1
1118 1 55 GLU QG 1 57 VAL MG2 4.400 . 4.840 3.315 2.475 4.116 . 0 0 "[ . 1 . 2]" 1
1119 1 55 GLU QG 1 68 ARG QG 4.580 . 5.040 4.397 2.955 5.149 0.109 10 0 "[ . 1 . 2]" 1
1120 1 55 GLU QG 1 70 LEU MD2 4.090 . 4.500 3.650 2.950 4.167 . 0 0 "[ . 1 . 2]" 1
1121 1 56 LYS H 1 56 LYS QB 3.560 . 3.920 2.521 2.259 2.881 . 0 0 "[ . 1 . 2]" 1
1122 1 56 LYS QB 1 56 LYS QE 4.170 . 4.590 3.000 1.792 3.884 0.008 4 0 "[ . 1 . 2]" 1
1123 1 56 LYS QB 1 57 VAL H 4.190 . 4.610 3.468 2.956 3.998 . 0 0 "[ . 1 . 2]" 1
1124 1 57 VAL MG2 1 68 ARG QD 3.980 . 4.380 2.598 1.965 3.245 . 0 0 "[ . 1 . 2]" 1
1125 1 61 LYS H 1 61 LYS QB 3.630 . 3.990 2.561 2.237 3.242 . 0 0 "[ . 1 . 2]" 1
1126 1 61 LYS HA 1 61 LYS QG 3.710 . 4.080 2.678 2.395 3.521 . 0 0 "[ . 1 . 2]" 1
1127 1 62 GLY QA 1 63 VAL MG2 4.770 . 5.250 4.151 3.651 4.413 . 0 0 "[ . 1 . 2]" 1
1128 1 63 VAL H 1 64 PRO QD 5.100 . 5.610 4.386 3.981 4.469 . 0 0 "[ . 1 . 2]" 1
1129 1 63 VAL HA 1 64 PRO QG 4.390 . 4.830 3.965 3.773 4.123 . 0 0 "[ . 1 . 2]" 1
1130 1 63 VAL HA 1 64 PRO QD 3.030 . 3.330 2.056 1.886 2.214 . 0 0 "[ . 1 . 2]" 1
1131 1 63 VAL MG1 1 64 PRO QD 3.710 . 4.080 3.149 3.000 3.377 . 0 0 "[ . 1 . 2]" 1
1132 1 63 VAL MG2 1 64 PRO QD 3.980 . 4.380 3.617 3.248 4.154 . 0 0 "[ . 1 . 2]" 1
1133 1 64 PRO HA 1 65 GLY QA 4.660 . 5.130 4.093 3.924 4.388 . 0 0 "[ . 1 . 2]" 1
1134 1 65 GLY QA 1 66 LEU HB2 4.850 . 5.330 4.464 4.233 4.618 . 0 0 "[ . 1 . 2]" 1
1135 1 65 GLY QA 1 66 LEU MD1 5.340 . 5.870 4.884 2.733 5.240 . 0 0 "[ . 1 . 2]" 1
1136 1 65 GLY QA 1 66 LEU MD2 5.340 . 5.870 4.277 3.851 5.182 . 0 0 "[ . 1 . 2]" 1
1137 1 67 TRP HA 1 68 ARG QB 5.340 . 5.870 4.192 3.933 4.469 . 0 0 "[ . 1 . 2]" 1
1138 1 67 TRP QB 1 68 ARG H 3.840 . 4.220 3.101 2.638 3.416 . 0 0 "[ . 1 . 2]" 1
1139 1 68 ARG QB 1 68 ARG QD 3.330 . 3.660 2.217 2.094 2.498 . 0 0 "[ . 1 . 2]" 1
1140 1 68 ARG QB 1 69 LEU HA 5.340 . 5.870 4.650 3.963 5.079 . 0 0 "[ . 1 . 2]" 1
1141 1 69 LEU H 1 69 LEU QB 3.330 . 3.660 2.823 2.473 3.144 . 0 0 "[ . 1 . 2]" 1
1142 1 69 LEU QB 1 69 LEU HG 2.580 . 2.840 2.434 2.407 2.469 . 0 0 "[ . 1 . 2]" 1
1143 1 69 LEU QB 1 69 LEU MD2 3.050 . 3.360 2.101 2.084 2.248 . 0 0 "[ . 1 . 2]" 1
1144 1 69 LEU QB 1 70 LEU H 3.600 . 3.960 2.533 2.111 2.918 . 0 0 "[ . 1 . 2]" 1
1145 1 71 GLU H 1 71 GLU QB 3.560 . 3.920 2.681 2.258 3.382 . 0 0 "[ . 1 . 2]" 1
1146 1 71 GLU H 1 71 GLU QG 4.430 . 4.870 3.315 1.896 4.326 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 35.295
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0079
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0245
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 0.017 0.017 3 0 "[ . 1 . 2]"
1 8 LYS 0.009 0.009 20 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.017 0.017 3 0 "[ . 1 . 2]"
1 12 ILE 0.009 0.009 20 0 "[ . 1 . 2]"
1 13 VAL 0.148 0.043 4 0 "[ . 1 . 2]"
1 14 GLN 0.038 0.018 19 0 "[ . 1 . 2]"
1 15 GLU 0.357 0.062 3 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.148 0.043 4 0 "[ . 1 . 2]"
1 18 ASN 0.038 0.018 19 0 "[ . 1 . 2]"
1 19 MET 0.357 0.062 3 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.001 0.001 2 0 "[ . 1 . 2]"
1 30 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 0.001 0.001 2 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLN 0.600 0.053 1 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LEU 0.069 0.031 5 0 "[ . 1 . 2]"
1 44 TYR 0.600 0.053 1 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.069 0.031 5 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.112 0.037 7 0 "[ . 1 . 2]"
1 57 VAL 0.413 0.103 19 0 "[ . 1 . 2]"
1 66 LEU 0.413 0.103 19 0 "[ . 1 . 2]"
1 67 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ARG 0.112 0.037 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 VAL O 1 10 ILE N 2.800 2.400 3.300 3.003 2.870 3.211 . 0 0 "[ . 1 . 2]" 2
2 1 6 VAL O 1 10 ILE H 1.800 . 2.300 2.036 1.903 2.243 . 0 0 "[ . 1 . 2]" 2
3 1 7 THR O 1 11 SER N 2.800 2.400 3.300 2.943 2.772 3.268 . 0 0 "[ . 1 . 2]" 2
4 1 7 THR O 1 11 SER H 1.800 . 2.300 2.005 1.861 2.317 0.017 3 0 "[ . 1 . 2]" 2
5 1 8 LYS O 1 12 ILE N 2.800 2.400 3.300 2.896 2.738 3.226 . 0 0 "[ . 1 . 2]" 2
6 1 8 LYS O 1 12 ILE H 1.800 . 2.300 2.001 1.821 2.309 0.009 20 0 "[ . 1 . 2]" 2
7 1 9 ILE O 1 13 VAL N 2.800 2.400 3.300 2.996 2.843 3.125 . 0 0 "[ . 1 . 2]" 2
8 1 9 ILE O 1 13 VAL H 1.800 . 2.300 2.039 1.895 2.205 . 0 0 "[ . 1 . 2]" 2
9 1 10 ILE O 1 14 GLN N 2.800 2.400 3.300 2.997 2.820 3.250 . 0 0 "[ . 1 . 2]" 2
10 1 10 ILE O 1 14 GLN H 1.800 . 2.300 2.030 1.862 2.296 . 0 0 "[ . 1 . 2]" 2
11 1 11 SER O 1 15 GLU N 2.800 2.400 3.300 2.827 2.751 2.938 . 0 0 "[ . 1 . 2]" 2
12 1 11 SER O 1 15 GLU H 1.800 . 2.300 1.907 1.854 2.050 . 0 0 "[ . 1 . 2]" 2
13 1 12 ILE O 1 16 ARG N 2.800 2.400 3.300 2.941 2.792 3.190 . 0 0 "[ . 1 . 2]" 2
14 1 12 ILE O 1 16 ARG H 1.800 . 2.300 1.979 1.856 2.236 . 0 0 "[ . 1 . 2]" 2
15 1 13 VAL O 1 17 GLN N 2.800 2.400 3.300 3.110 2.875 3.305 0.005 4 0 "[ . 1 . 2]" 2
16 1 13 VAL O 1 17 GLN H 1.800 . 2.300 2.183 1.941 2.343 0.043 4 0 "[ . 1 . 2]" 2
17 1 14 GLN O 1 18 ASN N 2.800 2.400 3.300 2.887 2.625 3.105 . 0 0 "[ . 1 . 2]" 2
18 1 14 GLN O 1 18 ASN H 1.800 . 2.300 2.065 1.865 2.318 0.018 19 0 "[ . 1 . 2]" 2
19 1 15 GLU O 1 19 MET N 2.800 2.400 3.300 3.036 2.770 3.277 . 0 0 "[ . 1 . 2]" 2
20 1 15 GLU O 1 19 MET H 1.800 . 2.300 2.208 1.900 2.362 0.062 3 0 "[ . 1 . 2]" 2
21 1 28 ARG O 1 32 ASP N 2.800 2.400 3.300 2.910 2.792 3.254 . 0 0 "[ . 1 . 2]" 2
22 1 28 ARG O 1 32 ASP H 1.800 . 2.300 1.973 1.834 2.299 . 0 0 "[ . 1 . 2]" 2
23 1 29 ASP O 1 33 ALA N 2.800 2.400 3.300 2.971 2.826 3.229 . 0 0 "[ . 1 . 2]" 2
24 1 29 ASP O 1 33 ALA H 1.800 . 2.300 2.027 1.901 2.301 0.001 2 0 "[ . 1 . 2]" 2
25 1 30 ILE O 1 34 ALA N 2.800 2.400 3.300 2.865 2.751 3.115 . 0 0 "[ . 1 . 2]" 2
26 1 30 ILE O 1 34 ALA H 1.800 . 2.300 1.959 1.846 2.166 . 0 0 "[ . 1 . 2]" 2
27 1 38 ILE O 1 42 ARG N 2.800 2.400 3.300 2.923 2.747 3.153 . 0 0 "[ . 1 . 2]" 2
28 1 38 ILE O 1 42 ARG H 1.800 . 2.300 1.972 1.854 2.226 . 0 0 "[ . 1 . 2]" 2
29 1 40 GLN O 1 44 TYR N 2.800 2.400 3.300 3.279 3.169 3.321 0.021 1 0 "[ . 1 . 2]" 2
30 1 40 GLN O 1 44 TYR H 1.800 . 2.300 2.321 2.220 2.353 0.053 1 0 "[ . 1 . 2]" 2
31 1 41 VAL O 1 45 LEU N 2.800 2.400 3.300 2.900 2.791 3.060 . 0 0 "[ . 1 . 2]" 2
32 1 41 VAL O 1 45 LEU H 1.800 . 2.300 1.944 1.823 2.095 . 0 0 "[ . 1 . 2]" 2
33 1 42 ARG O 1 46 GLU N 2.800 2.400 3.300 2.874 2.725 3.022 . 0 0 "[ . 1 . 2]" 2
34 1 42 ARG O 1 46 GLU H 1.800 . 2.300 1.933 1.759 2.058 . 0 0 "[ . 1 . 2]" 2
35 1 43 LEU O 1 47 GLN N 2.800 2.400 3.300 3.091 2.918 3.280 . 0 0 "[ . 1 . 2]" 2
36 1 43 LEU O 1 47 GLN H 1.800 . 2.300 2.143 1.964 2.331 0.031 5 0 "[ . 1 . 2]" 2
37 1 44 TYR O 1 48 LEU N 2.800 2.400 3.300 2.903 2.799 3.130 . 0 0 "[ . 1 . 2]" 2
38 1 44 TYR O 1 48 LEU H 1.800 . 2.300 1.957 1.868 2.196 . 0 0 "[ . 1 . 2]" 2
39 1 45 LEU O 1 49 HIS N 2.800 2.400 3.300 2.916 2.740 3.156 . 0 0 "[ . 1 . 2]" 2
40 1 45 LEU O 1 49 HIS H 1.800 . 2.300 2.054 1.900 2.274 . 0 0 "[ . 1 . 2]" 2
41 1 55 GLU O 1 68 ARG N 2.800 2.400 3.300 3.051 2.804 3.300 0.000 8 0 "[ . 1 . 2]" 2
42 1 55 GLU O 1 68 ARG H 1.800 . 2.300 2.106 1.837 2.337 0.037 7 0 "[ . 1 . 2]" 2
43 1 57 VAL O 1 66 LEU N 2.800 2.400 3.300 3.043 2.741 3.322 0.022 5 0 "[ . 1 . 2]" 2
44 1 57 VAL O 1 66 LEU H 1.800 . 2.300 2.164 1.868 2.403 0.103 19 0 "[ . 1 . 2]" 2
45 1 57 VAL N 1 66 LEU O 2.800 2.400 3.300 2.791 2.654 3.001 . 0 0 "[ . 1 . 2]" 2
46 1 57 VAL H 1 66 LEU O 1.800 . 2.300 1.955 1.804 2.326 0.026 20 0 "[ . 1 . 2]" 2
47 1 55 GLU N 1 68 ARG O 2.800 2.400 3.300 2.726 2.599 2.853 . 0 0 "[ . 1 . 2]" 2
48 1 55 GLU H 1 68 ARG O 1.800 . 2.300 1.825 1.739 1.924 . 0 0 "[ . 1 . 2]" 2
49 1 25 VAL N 1 67 TRP O 2.800 2.400 3.300 2.835 2.657 3.190 . 0 0 "[ . 1 . 2]" 2
50 1 25 VAL H 1 67 TRP O 1.800 . 2.300 1.935 1.841 2.282 . 0 0 "[ . 1 . 2]" 2
51 1 25 VAL O 1 67 TRP N 2.800 2.400 3.300 2.837 2.705 3.207 . 0 0 "[ . 1 . 2]" 2
52 1 25 VAL O 1 67 TRP H 1.800 . 2.300 1.902 1.821 2.264 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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