NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447763 |
2kre   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kre
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 1368
_Distance_constraint_stats_list.Viol_count 884
_Distance_constraint_stats_list.Viol_total 1442.556
_Distance_constraint_stats_list.Viol_max 0.563
_Distance_constraint_stats_list.Viol_rms 0.0219
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0816
_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 5 PHE 0.004 0.004 15 0 "[ . 1 . 2]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 1.349 0.341 12 0 "[ . 1 . 2]"
1 15 LYS 1.661 0.341 12 0 "[ . 1 . 2]"
1 16 ASN 0.021 0.021 10 0 "[ . 1 . 2]"
1 17 ALA 0.021 0.021 10 0 "[ . 1 . 2]"
1 19 ALA 1.710 0.350 12 0 "[ . 1 . 2]"
1 20 GLU 2.200 0.350 12 0 "[ . 1 . 2]"
1 21 ILE 6.239 0.326 18 0 "[ . 1 . 2]"
1 22 ASP 1.240 0.259 16 0 "[ . 1 . 2]"
1 23 TYR 2.989 0.563 3 1 "[ + . 1 . 2]"
1 24 SER 0.562 0.168 14 0 "[ . 1 . 2]"
1 25 ASP 0.262 0.078 20 0 "[ . 1 . 2]"
1 26 ALA 0.406 0.083 18 0 "[ . 1 . 2]"
1 27 PRO 0.120 0.045 11 0 "[ . 1 . 2]"
1 28 ASP 0.101 0.101 20 0 "[ . 1 . 2]"
1 29 GLU 0.346 0.101 20 0 "[ . 1 . 2]"
1 30 PHE 1.124 0.201 13 0 "[ . 1 . 2]"
1 31 ARG 0.837 0.129 9 0 "[ . 1 . 2]"
1 32 ASP 0.839 0.130 13 0 "[ . 1 . 2]"
1 33 PRO 0.792 0.129 9 0 "[ . 1 . 2]"
1 34 LEU 3.057 0.356 6 0 "[ . 1 . 2]"
1 35 MET 3.771 0.356 6 0 "[ . 1 . 2]"
1 36 ASP 0.342 0.109 19 0 "[ . 1 . 2]"
1 37 THR 2.902 0.158 3 0 "[ . 1 . 2]"
1 38 LEU 1.295 0.563 3 1 "[ + . 1 . 2]"
1 39 MET 4.131 0.279 18 0 "[ . 1 . 2]"
1 40 THR 0.262 0.042 20 0 "[ . 1 . 2]"
1 41 ASP 0.042 0.042 20 0 "[ . 1 . 2]"
1 42 PRO 1.024 0.185 11 0 "[ . 1 . 2]"
1 43 VAL 0.157 0.053 9 0 "[ . 1 . 2]"
1 44 ARG 0.448 0.120 1 0 "[ . 1 . 2]"
1 45 LEU 3.918 0.403 15 0 "[ . 1 . 2]"
1 46 PRO 0.341 0.069 14 0 "[ . 1 . 2]"
1 47 SER 2.265 0.363 3 0 "[ . 1 . 2]"
1 48 GLY 1.246 0.366 6 0 "[ . 1 . 2]"
1 49 THR 0.155 0.118 10 0 "[ . 1 . 2]"
1 50 ILE 4.404 0.365 13 0 "[ . 1 . 2]"
1 51 MET 5.459 0.403 15 0 "[ . 1 . 2]"
1 52 ASP 2.703 0.278 9 0 "[ . 1 . 2]"
1 53 ARG 0.332 0.072 17 0 "[ . 1 . 2]"
1 54 SER 0.934 0.143 18 0 "[ . 1 . 2]"
1 55 ILE 2.085 0.261 12 0 "[ . 1 . 2]"
1 56 ILE 2.966 0.181 19 0 "[ . 1 . 2]"
1 57 LEU 0.085 0.032 5 0 "[ . 1 . 2]"
1 58 ARG 0.158 0.048 1 0 "[ . 1 . 2]"
1 59 HIS 1.100 0.054 5 0 "[ . 1 . 2]"
1 60 LEU 0.220 0.043 14 0 "[ . 1 . 2]"
1 61 LEU 0.140 0.094 18 0 "[ . 1 . 2]"
1 62 ASN 0.188 0.094 18 0 "[ . 1 . 2]"
1 63 SER 0.539 0.273 9 0 "[ . 1 . 2]"
1 64 PRO 0.471 0.273 9 0 "[ . 1 . 2]"
1 65 THR 0.240 0.052 18 0 "[ . 1 . 2]"
1 66 ASP 4.358 0.388 12 0 "[ . 1 . 2]"
1 67 PRO 0.748 0.071 15 0 "[ . 1 . 2]"
1 68 PHE 3.984 0.435 19 0 "[ . 1 . 2]"
1 69 ASN 6.892 0.435 19 0 "[ . 1 . 2]"
1 70 ARG 0.630 0.114 16 0 "[ . 1 . 2]"
1 71 GLN 3.185 0.388 12 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 10 0 "[ . 1 . 2]"
1 73 LEU 4.422 0.366 9 0 "[ . 1 . 2]"
1 74 THR 0.989 0.181 18 0 "[ . 1 . 2]"
1 75 GLU 0.184 0.056 19 0 "[ . 1 . 2]"
1 76 SER 0.108 0.041 17 0 "[ . 1 . 2]"
1 77 MET 1.092 0.181 18 0 "[ . 1 . 2]"
1 78 LEU 0.194 0.039 13 0 "[ . 1 . 2]"
1 79 GLU 0.160 0.064 6 0 "[ . 1 . 2]"
1 80 PRO 0.023 0.023 4 0 "[ . 1 . 2]"
1 81 VAL 0.373 0.085 2 0 "[ . 1 . 2]"
1 82 PRO 0.006 0.006 13 0 "[ . 1 . 2]"
1 83 GLU 0.337 0.109 2 0 "[ . 1 . 2]"
1 84 LEU 0.864 0.244 11 0 "[ . 1 . 2]"
1 85 LYS 1.478 0.361 9 0 "[ . 1 . 2]"
1 86 GLU 0.592 0.181 12 0 "[ . 1 . 2]"
1 87 GLN 0.685 0.201 13 0 "[ . 1 . 2]"
1 88 ILE 3.933 0.395 5 0 "[ . 1 . 2]"
1 89 GLN 4.918 0.361 9 0 "[ . 1 . 2]"
1 90 ALA 2.986 0.326 7 0 "[ . 1 . 2]"
1 91 TRP 6.119 0.326 7 0 "[ . 1 . 2]"
1 92 MET 1.881 0.293 19 0 "[ . 1 . 2]"
1 93 ARG 1.267 0.106 20 0 "[ . 1 . 2]"
1 94 GLU 0.601 0.077 14 0 "[ . 1 . 2]"
1 95 LYS 1.359 0.137 1 0 "[ . 1 . 2]"
1 96 GLN 1.436 0.293 19 0 "[ . 1 . 2]"
1 97 ASN 0.021 0.021 15 0 "[ . 1 . 2]"
1 98 SER 0.039 0.021 15 0 "[ . 1 . 2]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 HIS 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 68 PHE H 1 69 ASN H 4.050 . 4.550 3.573 2.973 4.390 . 0 0 "[ . 1 . 2]" 1
2 1 39 MET H 1 39 MET HG3 5.500 . 6.000 2.447 2.128 3.029 . 0 0 "[ . 1 . 2]" 1
3 1 23 TYR H 1 23 TYR QE 5.500 . 7.000 4.170 3.584 5.274 . 0 0 "[ . 1 . 2]" 1
4 1 14 ALA MB 1 15 LYS H 5.500 . 7.000 2.647 1.659 3.723 0.341 12 0 "[ . 1 . 2]" 1
5 1 72 THR HB 1 73 LEU H 5.490 . 5.990 3.659 2.130 4.473 . 0 0 "[ . 1 . 2]" 1
6 1 65 THR HA 1 73 LEU H 4.350 . 4.850 2.970 1.964 4.190 0.036 1 0 "[ . 1 . 2]" 1
7 1 83 GLU HA 1 85 LYS H 5.250 . 5.750 4.698 4.085 5.205 . 0 0 "[ . 1 . 2]" 1
8 1 28 ASP HA 1 31 ARG H 5.110 . 5.610 4.278 3.761 4.834 . 0 0 "[ . 1 . 2]" 1
9 1 55 ILE HA 1 59 HIS H 5.500 . 6.000 4.474 4.163 4.666 . 0 0 "[ . 1 . 2]" 1
10 1 82 PRO HA 1 85 LYS H 5.500 . 6.000 3.092 2.716 3.359 . 0 0 "[ . 1 . 2]" 1
11 1 91 TRP HE1 1 95 LYS HG3 5.500 . 7.000 5.464 4.395 6.814 . 0 0 "[ . 1 . 2]" 1
12 1 91 TRP HE1 1 95 LYS HG2 5.500 . 7.000 5.498 4.865 6.029 . 0 0 "[ . 1 . 2]" 1
13 1 26 ALA MB 1 91 TRP HE1 5.500 . 8.000 4.694 4.086 5.479 . 0 0 "[ . 1 . 2]" 1
14 1 27 PRO HD3 1 91 TRP HE1 5.360 . 6.860 3.472 2.440 4.433 . 0 0 "[ . 1 . 2]" 1
15 1 91 TRP HE1 1 95 LYS HE3 5.500 . 7.000 4.843 3.639 5.858 . 0 0 "[ . 1 . 2]" 1
16 1 91 TRP HE1 1 95 LYS HE2 5.500 . 7.000 3.680 3.100 5.271 . 0 0 "[ . 1 . 2]" 1
17 1 27 PRO HD2 1 91 TRP HE1 5.360 . 6.860 4.598 3.354 5.998 . 0 0 "[ . 1 . 2]" 1
18 1 26 ALA HA 1 91 TRP HE1 5.500 . 7.000 4.353 3.871 5.080 . 0 0 "[ . 1 . 2]" 1
19 1 30 PHE HE2 1 91 TRP HE1 5.500 . 8.000 5.229 4.061 6.491 . 0 0 "[ . 1 . 2]" 1
20 1 52 ASP H 1 55 ILE MD 5.500 . 7.000 5.236 4.934 5.617 . 0 0 "[ . 1 . 2]" 1
21 1 52 ASP H 1 55 ILE MG 5.500 . 7.000 4.605 4.027 5.350 . 0 0 "[ . 1 . 2]" 1
22 1 52 ASP H 1 56 ILE HG13 5.500 . 6.000 5.133 4.171 5.899 . 0 0 "[ . 1 . 2]" 1
23 1 52 ASP H 1 56 ILE HG12 5.500 . 6.000 3.958 3.258 4.575 . 0 0 "[ . 1 . 2]" 1
24 1 52 ASP H 1 55 ILE HB 4.330 . 4.830 3.470 2.799 4.492 . 0 0 "[ . 1 . 2]" 1
25 1 33 PRO HD2 1 52 ASP H 5.370 . 5.870 4.983 4.475 5.658 . 0 0 "[ . 1 . 2]" 1
26 1 52 ASP H 1 55 ILE H 5.500 . 6.000 4.325 4.013 4.998 . 0 0 "[ . 1 . 2]" 1
27 1 44 ARG H 1 81 VAL MG1 4.890 . 6.390 4.607 3.180 5.378 . 0 0 "[ . 1 . 2]" 1
28 1 44 ARG H 1 81 VAL MG2 4.890 . 6.390 2.942 2.356 5.126 . 0 0 "[ . 1 . 2]" 1
29 1 43 VAL HB 1 44 ARG H 4.880 . 5.380 2.904 2.491 3.267 . 0 0 "[ . 1 . 2]" 1
30 1 44 ARG H 1 78 LEU HA 5.500 . 6.000 5.318 4.805 5.659 . 0 0 "[ . 1 . 2]" 1
31 1 44 ARG H 1 80 PRO HA 5.230 . 5.730 3.336 2.967 3.853 . 0 0 "[ . 1 . 2]" 1
32 1 44 ARG H 1 79 GLU H 4.760 . 5.260 3.258 2.914 3.448 . 0 0 "[ . 1 . 2]" 1
33 1 44 ARG H 1 45 LEU H 5.500 . 6.000 4.474 4.349 4.588 . 0 0 "[ . 1 . 2]" 1
34 1 81 VAL HA 1 83 GLU H 5.260 . 5.760 3.599 3.245 4.411 . 0 0 "[ . 1 . 2]" 1
35 1 83 GLU H 1 84 LEU H 4.720 . 5.220 2.737 2.529 2.953 . 0 0 "[ . 1 . 2]" 1
36 1 43 VAL H 1 52 ASP HA 5.410 . 5.910 3.603 3.326 3.959 . 0 0 "[ . 1 . 2]" 1
37 1 43 VAL H 1 51 MET H 4.900 . 5.400 2.614 2.330 2.893 . 0 0 "[ . 1 . 2]" 1
38 1 43 VAL H 1 53 ARG H 4.900 . 5.400 3.710 3.403 4.017 . 0 0 "[ . 1 . 2]" 1
39 1 35 MET H 1 55 ILE MD 5.500 . 7.000 4.925 4.466 5.465 . 0 0 "[ . 1 . 2]" 1
40 1 35 MET H 1 55 ILE MG 5.500 . 7.000 3.933 3.002 4.840 . 0 0 "[ . 1 . 2]" 1
41 1 34 LEU HG 1 35 MET H 4.850 . 5.350 2.260 1.977 2.997 0.023 6 0 "[ . 1 . 2]" 1
42 1 31 ARG HG3 1 32 ASP H 5.500 . 6.000 4.159 2.901 5.565 . 0 0 "[ . 1 . 2]" 1
43 1 31 ARG HG2 1 32 ASP H 5.500 . 6.000 4.224 3.106 5.204 . 0 0 "[ . 1 . 2]" 1
44 1 32 ASP H 1 39 MET HG3 5.500 . 6.000 2.868 1.999 4.052 0.001 17 0 "[ . 1 . 2]" 1
45 1 32 ASP H 1 39 MET HG2 4.980 . 5.480 4.218 3.196 5.339 . 0 0 "[ . 1 . 2]" 1
46 1 32 ASP H 1 33 PRO HD3 5.220 . 5.720 4.746 4.353 4.932 . 0 0 "[ . 1 . 2]" 1
47 1 32 ASP H 1 33 PRO HD2 5.500 . 6.000 4.946 4.802 5.164 . 0 0 "[ . 1 . 2]" 1
48 1 32 ASP H 1 39 MET HA 5.500 . 6.000 4.820 4.096 5.979 . 0 0 "[ . 1 . 2]" 1
49 1 32 ASP H 1 36 ASP H 5.500 . 6.000 3.945 2.675 4.979 . 0 0 "[ . 1 . 2]" 1
50 1 32 ASP H 1 39 MET H 5.500 . 6.000 3.896 2.813 4.811 . 0 0 "[ . 1 . 2]" 1
51 1 34 LEU H 1 55 ILE MG 5.500 . 7.000 5.528 5.025 5.761 . 0 0 "[ . 1 . 2]" 1
52 1 33 PRO HD3 1 34 LEU H 5.420 . 5.920 4.242 3.792 5.290 . 0 0 "[ . 1 . 2]" 1
53 1 33 PRO HD2 1 34 LEU H 5.470 . 5.970 3.273 2.556 4.996 . 0 0 "[ . 1 . 2]" 1
54 1 34 LEU H 1 68 PHE HZ 5.500 . 6.000 4.014 2.189 5.857 . 0 0 "[ . 1 . 2]" 1
55 1 34 LEU H 1 35 MET H 4.050 . 4.550 2.661 1.960 3.339 0.040 17 0 "[ . 1 . 2]" 1
56 1 27 PRO HB2 1 29 GLU H 4.990 . 5.490 3.959 2.586 5.107 . 0 0 "[ . 1 . 2]" 1
57 1 26 ALA MB 1 29 GLU H 5.500 . 7.000 3.599 2.704 4.476 . 0 0 "[ . 1 . 2]" 1
58 1 28 ASP HB3 1 29 GLU H 4.440 . 4.940 4.429 3.900 4.676 . 0 0 "[ . 1 . 2]" 1
59 1 28 ASP HB2 1 29 GLU H 4.440 . 4.940 4.417 4.042 4.672 . 0 0 "[ . 1 . 2]" 1
60 1 29 GLU H 1 30 PHE H 4.610 . 5.110 2.237 1.965 2.739 0.035 7 0 "[ . 1 . 2]" 1
61 1 28 ASP H 1 29 GLU H 4.640 . 5.140 3.094 1.899 4.038 0.101 20 0 "[ . 1 . 2]" 1
62 1 74 THR MG 1 75 GLU H 4.870 . 6.370 4.148 2.848 4.413 . 0 0 "[ . 1 . 2]" 1
63 1 74 THR HB 1 75 GLU H 4.220 . 4.720 3.721 2.947 4.374 . 0 0 "[ . 1 . 2]" 1
64 1 68 PHE H 1 70 ARG H 5.130 . 5.630 3.926 2.992 5.466 . 0 0 "[ . 1 . 2]" 1
65 1 43 VAL MG1 1 53 ARG H 4.540 . 6.040 2.937 2.335 3.258 . 0 0 "[ . 1 . 2]" 1
66 1 53 ARG H 1 56 ILE MG 5.500 . 7.000 5.849 5.710 5.889 . 0 0 "[ . 1 . 2]" 1
67 1 53 ARG H 1 56 ILE MD 5.500 . 7.000 5.835 5.604 5.926 . 0 0 "[ . 1 . 2]" 1
68 1 43 VAL HB 1 53 ARG H 5.500 . 6.000 4.993 4.529 5.473 . 0 0 "[ . 1 . 2]" 1
69 1 42 PRO HA 1 53 ARG H 5.090 . 5.590 4.137 3.726 4.439 . 0 0 "[ . 1 . 2]" 1
70 1 41 ASP H 1 53 ARG H 5.430 . 5.930 4.290 3.798 4.550 . 0 0 "[ . 1 . 2]" 1
71 1 52 ASP H 1 53 ARG H 5.500 . 6.000 4.324 4.064 4.497 . 0 0 "[ . 1 . 2]" 1
72 1 50 ILE MG 1 51 MET H 4.060 . 5.560 2.156 1.635 2.649 0.365 13 0 "[ . 1 . 2]" 1
73 1 50 ILE MD 1 51 MET H 4.450 . 5.950 3.803 2.219 4.731 . 0 0 "[ . 1 . 2]" 1
74 1 51 MET H 1 51 MET ME 5.500 . 7.000 3.734 2.425 4.443 . 0 0 "[ . 1 . 2]" 1
75 1 44 ARG HA 1 51 MET H 4.530 . 5.030 3.972 3.712 4.236 . 0 0 "[ . 1 . 2]" 1
76 1 45 LEU H 1 50 ILE MG 5.500 . 7.000 5.307 4.745 5.723 . 0 0 "[ . 1 . 2]" 1
77 1 44 ARG HB3 1 45 LEU H 5.500 . 6.000 4.040 3.290 4.450 . 0 0 "[ . 1 . 2]" 1
78 1 45 LEU H 1 50 ILE HA 5.000 . 5.500 3.559 3.138 3.940 . 0 0 "[ . 1 . 2]" 1
79 1 90 ALA MB 1 92 MET H 5.500 . 7.000 4.057 3.871 4.471 . 0 0 "[ . 1 . 2]" 1
80 1 88 ILE HA 1 92 MET H 5.500 . 6.000 4.167 3.847 4.419 . 0 0 "[ . 1 . 2]" 1
81 1 91 TRP HB2 1 92 MET H 4.780 . 5.280 4.254 3.869 4.389 . 0 0 "[ . 1 . 2]" 1
82 1 89 GLN HA 1 92 MET H 4.910 . 5.410 3.945 3.302 4.180 . 0 0 "[ . 1 . 2]" 1
83 1 91 TRP HZ3 1 92 MET H 4.890 . 5.390 4.287 3.963 4.454 . 0 0 "[ . 1 . 2]" 1
84 1 92 MET H 1 94 GLU H 5.500 . 6.000 4.126 3.715 4.554 . 0 0 "[ . 1 . 2]" 1
85 1 91 TRP H 1 92 MET H 4.170 . 4.670 2.852 2.467 3.127 . 0 0 "[ . 1 . 2]" 1
86 1 91 TRP HE3 1 92 MET H 5.500 . 7.000 2.405 1.985 2.650 0.015 12 0 "[ . 1 . 2]" 1
87 1 90 ALA H 1 92 MET H 5.500 . 6.000 3.768 3.563 4.270 . 0 0 "[ . 1 . 2]" 1
88 1 43 VAL MG1 1 54 SER H 5.500 . 7.000 5.182 4.681 5.436 . 0 0 "[ . 1 . 2]" 1
89 1 43 VAL MG2 1 54 SER H 5.500 . 7.000 4.458 4.110 4.856 . 0 0 "[ . 1 . 2]" 1
90 1 40 THR MG 1 54 SER H 5.500 . 7.000 4.815 3.428 5.716 . 0 0 "[ . 1 . 2]" 1
91 1 54 SER H 1 56 ILE MD 5.500 . 7.000 5.689 5.241 5.864 . 0 0 "[ . 1 . 2]" 1
92 1 53 ARG HG3 1 54 SER H 5.500 . 6.000 3.332 2.121 5.642 . 0 0 "[ . 1 . 2]" 1
93 1 53 ARG HG2 1 54 SER H 5.500 . 6.000 4.313 3.449 5.126 . 0 0 "[ . 1 . 2]" 1
94 1 53 ARG HB3 1 54 SER H 4.750 . 5.250 3.859 3.207 4.230 . 0 0 "[ . 1 . 2]" 1
95 1 53 ARG HB2 1 54 SER H 4.750 . 5.250 4.041 3.336 4.381 . 0 0 "[ . 1 . 2]" 1
96 1 52 ASP HA 1 54 SER H 5.500 . 6.000 3.368 3.253 3.594 . 0 0 "[ . 1 . 2]" 1
97 1 54 SER H 1 55 ILE H 4.720 . 5.220 2.771 2.328 3.099 . 0 0 "[ . 1 . 2]" 1
98 1 25 ASP H 1 26 ALA MB 5.500 . 7.000 4.240 3.326 5.163 . 0 0 "[ . 1 . 2]" 1
99 1 23 TYR HA 1 25 ASP H 5.260 . 5.760 3.272 2.859 4.258 . 0 0 "[ . 1 . 2]" 1
100 1 25 ASP H 1 26 ALA H 4.170 . 4.670 3.091 1.925 4.108 0.075 14 0 "[ . 1 . 2]" 1
101 1 39 MET H 1 88 ILE MD 5.500 . 7.000 3.784 3.160 4.753 . 0 0 "[ . 1 . 2]" 1
102 1 38 LEU MD1 1 39 MET H 5.500 . 7.000 4.120 2.980 4.976 . 0 0 "[ . 1 . 2]" 1
103 1 38 LEU MD2 1 39 MET H 5.500 . 7.000 3.991 2.321 5.267 . 0 0 "[ . 1 . 2]" 1
104 1 39 MET H 1 39 MET ME 5.370 . 6.870 2.350 1.721 2.947 0.279 18 0 "[ . 1 . 2]" 1
105 1 31 ARG HA 1 39 MET H 5.110 . 5.610 3.160 2.110 4.144 . 0 0 "[ . 1 . 2]" 1
106 1 56 ILE MD 1 66 ASP H 5.500 . 7.000 5.737 5.561 5.863 . 0 0 "[ . 1 . 2]" 1
107 1 66 ASP H 1 72 THR MG 5.230 . 6.730 5.173 2.587 5.579 . 0 0 "[ . 1 . 2]" 1
108 1 65 THR HB 1 66 ASP H 4.530 . 5.030 3.835 3.387 4.448 . 0 0 "[ . 1 . 2]" 1
109 1 66 ASP H 1 70 ARG HA 5.250 . 5.750 4.323 3.849 5.175 . 0 0 "[ . 1 . 2]" 1
110 1 66 ASP H 1 72 THR HA 5.370 . 5.870 4.084 3.326 5.175 . 0 0 "[ . 1 . 2]" 1
111 1 22 ASP HB3 1 24 SER H 5.500 . 6.000 5.340 4.541 5.989 . 0 0 "[ . 1 . 2]" 1
112 1 24 SER H 1 25 ASP HB3 5.500 . 6.000 5.443 4.356 6.078 0.078 20 0 "[ . 1 . 2]" 1
113 1 22 ASP HB2 1 24 SER H 5.500 . 6.000 5.094 3.191 6.050 0.050 13 0 "[ . 1 . 2]" 1
114 1 23 TYR HB3 1 24 SER H 5.500 . 6.000 4.465 4.013 4.679 . 0 0 "[ . 1 . 2]" 1
115 1 24 SER H 1 25 ASP HB2 5.500 . 6.000 5.142 4.024 6.078 0.078 14 0 "[ . 1 . 2]" 1
116 1 23 TYR HB2 1 24 SER H 5.500 . 6.000 4.304 3.904 4.569 . 0 0 "[ . 1 . 2]" 1
117 1 22 ASP HA 1 24 SER H 5.250 . 5.750 3.862 3.134 4.723 . 0 0 "[ . 1 . 2]" 1
118 1 23 TYR HD1 1 24 SER H 5.500 . 7.000 4.531 3.622 5.808 . 0 0 "[ . 1 . 2]" 1
119 1 23 TYR H 1 24 SER H 4.270 . 4.770 3.030 1.991 4.179 0.009 15 0 "[ . 1 . 2]" 1
120 1 24 SER H 1 25 ASP H 4.570 . 5.070 2.803 2.056 3.730 . 0 0 "[ . 1 . 2]" 1
121 1 40 THR MG 1 41 ASP H 5.260 . 6.760 3.286 2.018 4.270 . 0 0 "[ . 1 . 2]" 1
122 1 39 MET HB3 1 41 ASP H 5.500 . 6.000 2.843 2.372 3.281 . 0 0 "[ . 1 . 2]" 1
123 1 41 ASP H 1 42 PRO HD2 4.890 . 5.390 4.132 3.695 4.430 . 0 0 "[ . 1 . 2]" 1
124 1 39 MET HA 1 41 ASP H 4.630 . 5.130 3.670 3.228 4.107 . 0 0 "[ . 1 . 2]" 1
125 1 41 ASP H 1 52 ASP HA 5.340 . 5.840 3.230 2.981 3.593 . 0 0 "[ . 1 . 2]" 1
126 1 40 THR H 1 41 ASP H 3.760 . 4.260 2.214 1.958 2.567 0.042 20 0 "[ . 1 . 2]" 1
127 1 65 THR H 1 72 THR MG 5.280 . 6.780 5.390 4.190 5.548 . 0 0 "[ . 1 . 2]" 1
128 1 65 THR H 1 73 LEU HB3 5.280 . 5.780 4.508 3.036 5.561 . 0 0 "[ . 1 . 2]" 1
129 1 65 THR H 1 73 LEU HB2 5.280 . 5.780 4.335 2.499 5.178 . 0 0 "[ . 1 . 2]" 1
130 1 60 LEU HA 1 65 THR H 4.970 . 5.470 4.192 3.335 5.436 . 0 0 "[ . 1 . 2]" 1
131 1 59 HIS HD2 1 65 THR H 5.500 . 6.000 4.670 3.341 5.999 . 0 0 "[ . 1 . 2]" 1
132 1 63 SER H 1 65 THR H 5.500 . 6.000 4.809 4.444 5.858 . 0 0 "[ . 1 . 2]" 1
133 1 35 MET HG2 1 36 ASP H 5.500 . 6.000 4.648 3.259 5.671 . 0 0 "[ . 1 . 2]" 1
134 1 35 MET HG3 1 36 ASP H 5.500 . 6.000 4.673 2.965 5.749 . 0 0 "[ . 1 . 2]" 1
135 1 33 PRO HA 1 36 ASP H 5.500 . 6.000 4.750 4.246 6.109 0.109 19 0 "[ . 1 . 2]" 1
136 1 34 LEU H 1 36 ASP H 5.060 . 5.560 3.119 2.313 4.085 . 0 0 "[ . 1 . 2]" 1
137 1 35 MET H 1 36 ASP H 4.500 . 5.000 2.487 1.929 2.928 0.071 4 0 "[ . 1 . 2]" 1
138 1 45 LEU HB3 1 48 GLY H 5.500 . 6.000 4.884 3.287 5.962 . 0 0 "[ . 1 . 2]" 1
139 1 45 LEU HB2 1 48 GLY H 5.500 . 6.000 4.001 2.834 5.362 . 0 0 "[ . 1 . 2]" 1
140 1 46 PRO HG2 1 48 GLY H 5.500 . 6.000 5.430 4.980 6.025 0.025 6 0 "[ . 1 . 2]" 1
141 1 44 ARG HD2 1 48 GLY H 5.500 . 6.000 5.020 3.682 5.895 . 0 0 "[ . 1 . 2]" 1
142 1 44 ARG HD3 1 48 GLY H 5.500 . 6.000 5.132 3.845 5.970 . 0 0 "[ . 1 . 2]" 1
143 1 46 PRO HD3 1 48 GLY H 5.500 . 6.000 5.515 5.224 5.897 . 0 0 "[ . 1 . 2]" 1
144 1 46 PRO HD2 1 48 GLY H 5.030 . 5.530 4.974 4.723 5.360 . 0 0 "[ . 1 . 2]" 1
145 1 46 PRO HA 1 48 GLY H 5.310 . 5.810 3.811 3.165 4.780 . 0 0 "[ . 1 . 2]" 1
146 1 48 GLY H 1 49 THR H 4.300 . 4.800 2.384 2.029 2.990 . 0 0 "[ . 1 . 2]" 1
147 1 47 SER H 1 48 GLY H 4.600 . 5.100 2.858 2.565 3.127 . 0 0 "[ . 1 . 2]" 1
148 1 56 ILE HB 1 57 LEU H 4.650 . 5.150 2.792 2.242 3.240 . 0 0 "[ . 1 . 2]" 1
149 1 56 ILE MD 1 57 LEU H 4.710 . 6.210 4.439 4.215 4.585 . 0 0 "[ . 1 . 2]" 1
150 1 55 ILE H 1 57 LEU H 5.500 . 6.000 4.184 3.639 4.556 . 0 0 "[ . 1 . 2]" 1
151 1 57 LEU H 1 59 HIS H 5.500 . 6.000 3.885 3.511 4.259 . 0 0 "[ . 1 . 2]" 1
152 1 56 ILE H 1 57 LEU H 4.460 . 4.960 2.424 2.115 2.869 . 0 0 "[ . 1 . 2]" 1
153 1 22 ASP HB3 1 23 TYR H 5.210 . 5.710 3.474 2.324 4.620 . 0 0 "[ . 1 . 2]" 1
154 1 22 ASP HB2 1 23 TYR H 5.210 . 5.710 3.517 2.000 4.446 . 7 0 "[ . 1 . 2]" 1
155 1 65 THR HA 1 72 THR H 5.440 . 5.940 4.159 3.557 4.773 . 0 0 "[ . 1 . 2]" 1
156 1 72 THR H 1 73 LEU H 4.540 . 5.040 3.789 2.825 4.654 . 0 0 "[ . 1 . 2]" 1
157 1 56 ILE MG 1 60 LEU H 4.550 . 6.050 3.503 3.131 3.802 . 0 0 "[ . 1 . 2]" 1
158 1 59 HIS HB3 1 60 LEU H 5.120 . 5.620 2.217 1.968 2.835 0.032 14 0 "[ . 1 . 2]" 1
159 1 59 HIS HB2 1 60 LEU H 5.120 . 5.620 3.613 3.440 3.887 . 0 0 "[ . 1 . 2]" 1
160 1 59 HIS HD2 1 60 LEU H 5.360 . 5.860 4.494 3.817 5.343 . 0 0 "[ . 1 . 2]" 1
161 1 60 LEU H 1 61 LEU H 4.540 . 5.040 2.686 2.383 3.059 . 0 0 "[ . 1 . 2]" 1
162 1 59 HIS H 1 60 LEU H 4.380 . 4.880 2.980 2.664 3.222 . 0 0 "[ . 1 . 2]" 1
163 1 69 ASN H 1 70 ARG H 4.190 . 4.690 3.058 1.986 4.040 0.014 9 0 "[ . 1 . 2]" 1
164 1 68 PHE QD 1 69 ASN H 5.440 . 6.940 4.011 3.218 4.928 . 0 0 "[ . 1 . 2]" 1
165 1 37 THR MG 1 38 LEU H 4.940 . 6.440 2.958 1.870 4.239 0.130 8 0 "[ . 1 . 2]" 1
166 1 19 ALA MB 1 20 GLU H 4.970 . 6.470 2.670 1.650 3.699 0.350 12 0 "[ . 1 . 2]" 1
167 1 88 ILE MD 1 89 GLN H 5.500 . 7.000 4.169 3.839 4.457 . 0 0 "[ . 1 . 2]" 1
168 1 88 ILE HB 1 89 GLN H 4.250 . 4.750 2.235 1.955 2.575 0.045 19 0 "[ . 1 . 2]" 1
169 1 85 LYS HA 1 89 GLN H 5.500 . 6.000 3.730 2.847 4.303 . 0 0 "[ . 1 . 2]" 1
170 1 90 ALA H 1 92 MET HB3 4.940 . 5.440 5.410 5.202 5.490 0.050 14 0 "[ . 1 . 2]" 1
171 1 85 LYS HA 1 88 ILE H 5.060 . 5.560 3.528 3.013 4.241 . 0 0 "[ . 1 . 2]" 1
172 1 49 THR HB 1 50 ILE H 5.500 . 6.000 3.107 2.158 4.034 . 0 0 "[ . 1 . 2]" 1
173 1 21 ILE MG 1 22 ASP H 4.570 . 6.070 2.435 1.616 4.212 0.184 20 0 "[ . 1 . 2]" 1
174 1 21 ILE MD 1 22 ASP H 5.500 . 7.000 4.579 3.071 5.571 . 0 0 "[ . 1 . 2]" 1
175 1 21 ILE HB 1 22 ASP H 4.920 . 5.420 3.819 3.077 4.531 . 0 0 "[ . 1 . 2]" 1
176 1 70 ARG H 1 71 GLN H 3.930 . 4.430 3.124 1.924 3.996 0.076 12 0 "[ . 1 . 2]" 1
177 1 71 GLN H 1 72 THR H 4.700 . 5.200 4.421 4.099 4.631 . 0 0 "[ . 1 . 2]" 1
178 1 90 ALA MB 1 91 TRP H 4.350 . 5.850 1.923 1.674 2.375 0.326 7 0 "[ . 1 . 2]" 1
179 1 88 ILE HA 1 91 TRP H 5.260 . 5.760 4.164 3.714 4.557 . 0 0 "[ . 1 . 2]" 1
180 1 87 GLN HA 1 91 TRP H 4.520 . 5.020 3.836 3.397 4.262 . 0 0 "[ . 1 . 2]" 1
181 1 30 PHE HE2 1 91 TRP H 5.500 . 7.000 4.473 3.764 5.403 . 0 0 "[ . 1 . 2]" 1
182 1 90 ALA H 1 91 TRP H 3.690 . 4.190 2.958 2.675 3.116 . 0 0 "[ . 1 . 2]" 1
183 1 78 LEU MD1 1 79 GLU H 4.400 . 5.900 3.680 2.351 4.914 . 0 0 "[ . 1 . 2]" 1
184 1 78 LEU MD2 1 79 GLU H 4.400 . 5.900 3.861 2.044 4.755 . 0 0 "[ . 1 . 2]" 1
185 1 44 ARG HB2 1 79 GLU H 4.640 . 5.140 4.784 3.664 5.174 0.034 17 0 "[ . 1 . 2]" 1
186 1 65 THR HB 1 70 ARG H 5.500 . 6.000 5.823 4.614 6.052 0.052 18 0 "[ . 1 . 2]" 1
187 1 68 PHE HA 1 70 ARG H 5.500 . 6.000 4.109 3.393 6.017 0.017 12 0 "[ . 1 . 2]" 1
188 1 66 ASP H 1 70 ARG H 5.500 . 6.000 5.548 4.692 6.027 0.027 12 0 "[ . 1 . 2]" 1
189 1 85 LYS HG3 1 86 GLU H 5.500 . 6.000 4.097 3.052 4.907 . 0 0 "[ . 1 . 2]" 1
190 1 85 LYS HG2 1 86 GLU H 5.500 . 6.000 3.980 2.143 4.887 . 0 0 "[ . 1 . 2]" 1
191 1 86 GLU H 1 88 ILE HB 5.500 . 6.000 5.010 4.632 5.399 . 0 0 "[ . 1 . 2]" 1
192 1 82 PRO HA 1 86 GLU H 4.890 . 5.390 4.372 3.819 5.124 . 0 0 "[ . 1 . 2]" 1
193 1 55 ILE MD 1 56 ILE H 4.860 . 6.360 4.478 4.185 4.781 . 0 0 "[ . 1 . 2]" 1
194 1 54 SER HA 1 56 ILE H 5.200 . 5.700 3.911 3.387 4.422 . 0 0 "[ . 1 . 2]" 1
195 1 92 MET HB3 1 93 ARG H 3.760 . 4.260 3.896 3.684 4.034 . 0 0 "[ . 1 . 2]" 1
196 1 92 MET HG3 1 93 ARG H 5.500 . 6.000 2.109 1.894 2.296 0.106 20 0 "[ . 1 . 2]" 1
197 1 91 TRP HZ3 1 93 ARG H 5.500 . 6.000 6.054 6.012 6.091 0.091 7 0 "[ . 1 . 2]" 1
198 1 21 ILE H 1 24 SER HA 4.090 . 4.590 4.486 3.882 4.758 0.168 14 0 "[ . 1 . 2]" 1
199 1 39 MET HB3 1 40 THR H 5.500 . 6.000 3.146 2.607 3.803 . 0 0 "[ . 1 . 2]" 1
200 1 39 MET HB2 1 40 THR H 5.500 . 6.000 4.169 3.821 4.436 . 0 0 "[ . 1 . 2]" 1
201 1 39 MET HG3 1 40 THR H 5.500 . 6.000 4.654 4.310 4.953 . 0 0 "[ . 1 . 2]" 1
202 1 39 MET HG2 1 40 THR H 5.260 . 5.760 4.210 3.558 4.796 . 0 0 "[ . 1 . 2]" 1
203 1 97 ASN HB3 1 98 SER H 5.500 . 6.000 4.249 3.212 4.667 . 0 0 "[ . 1 . 2]" 1
204 1 97 ASN HB2 1 98 SER H 5.500 . 6.000 3.684 1.979 4.526 0.021 15 0 "[ . 1 . 2]" 1
205 1 97 ASN H 1 98 SER H 4.920 . 5.420 3.061 2.001 4.568 . 0 0 "[ . 1 . 2]" 1
206 1 61 LEU HB3 1 63 SER H 5.500 . 6.000 5.159 4.600 5.764 . 0 0 "[ . 1 . 2]" 1
207 1 61 LEU HB2 1 63 SER H 5.500 . 6.000 5.642 5.288 6.023 0.023 15 0 "[ . 1 . 2]" 1
208 1 63 SER H 1 64 PRO HG2 5.500 . 6.000 5.269 4.505 6.014 0.014 12 0 "[ . 1 . 2]" 1
209 1 63 SER H 1 64 PRO HG3 5.500 . 6.000 4.417 3.565 5.436 . 0 0 "[ . 1 . 2]" 1
210 1 63 SER H 1 64 PRO HA 5.500 . 6.000 4.223 3.892 4.542 . 0 0 "[ . 1 . 2]" 1
211 1 61 LEU HA 1 63 SER H 5.500 . 6.000 4.561 4.143 5.302 . 0 0 "[ . 1 . 2]" 1
212 1 59 HIS HA 1 63 SER H 5.500 . 6.000 4.963 3.689 5.740 . 0 0 "[ . 1 . 2]" 1
213 1 60 LEU HA 1 63 SER H 4.740 . 5.240 3.107 2.616 3.654 . 0 0 "[ . 1 . 2]" 1
214 1 61 LEU H 1 63 SER H 4.950 . 5.450 4.135 3.640 4.742 . 0 0 "[ . 1 . 2]" 1
215 1 62 ASN H 1 63 SER H 3.740 . 4.240 2.360 1.952 3.085 0.048 6 0 "[ . 1 . 2]" 1
216 1 64 PRO HB2 1 73 LEU H 5.500 . 6.000 4.939 3.331 6.029 0.029 3 0 "[ . 1 . 2]" 1
217 1 64 PRO HB3 1 73 LEU H 6.000 2.500 6.500 5.711 4.697 6.514 0.014 12 0 "[ . 1 . 2]" 1
218 1 65 THR HB 1 73 LEU H 5.500 . 6.000 4.982 3.894 6.019 0.019 12 0 "[ . 1 . 2]" 1
219 1 85 LYS H 1 88 ILE HB 4.870 . 5.370 4.916 4.410 5.357 . 0 0 "[ . 1 . 2]" 1
220 1 84 LEU H 1 85 LYS H 4.390 . 4.890 2.403 1.986 2.687 0.014 5 0 "[ . 1 . 2]" 1
221 1 85 LYS H 1 86 GLU H 4.430 . 4.930 3.028 2.682 3.377 . 0 0 "[ . 1 . 2]" 1
222 1 85 LYS H 1 88 ILE H 5.100 . 5.600 4.837 4.449 5.250 . 0 0 "[ . 1 . 2]" 1
223 1 83 GLU H 1 85 LYS H 5.500 . 6.000 4.451 3.691 4.945 . 0 0 "[ . 1 . 2]" 1
224 1 95 LYS HG3 1 96 GLN H 5.500 . 6.000 4.246 2.091 4.973 . 0 0 "[ . 1 . 2]" 1
225 1 95 LYS HG2 1 96 GLN H 5.500 . 6.000 4.232 3.062 4.735 . 0 0 "[ . 1 . 2]" 1
226 1 95 LYS HB3 1 96 GLN H 5.160 . 5.660 4.197 2.996 4.674 . 0 0 "[ . 1 . 2]" 1
227 1 95 LYS HB2 1 96 GLN H 5.160 . 5.660 3.490 1.976 4.404 0.024 11 0 "[ . 1 . 2]" 1
228 1 92 MET HA 1 96 GLN H 5.500 . 6.000 5.349 4.558 6.037 0.037 17 0 "[ . 1 . 2]" 1
229 1 93 ARG HB2 1 94 GLU H 4.030 . 4.530 3.605 2.370 4.220 . 0 0 "[ . 1 . 2]" 1
230 1 92 MET HA 1 94 GLU H 5.110 . 5.610 4.328 3.708 5.060 . 0 0 "[ . 1 . 2]" 1
231 1 91 TRP HA 1 94 GLU H 4.460 . 4.960 3.789 3.583 4.067 . 0 0 "[ . 1 . 2]" 1
232 1 93 ARG H 1 94 GLU H 3.970 . 4.470 2.590 2.379 2.814 . 0 0 "[ . 1 . 2]" 1
233 1 55 ILE MD 1 59 HIS H 5.500 . 7.000 5.620 5.346 5.735 . 0 0 "[ . 1 . 2]" 1
234 1 59 HIS H 1 60 LEU HG 5.110 . 5.610 4.062 3.551 5.509 . 0 0 "[ . 1 . 2]" 1
235 1 56 ILE MD 1 59 HIS H 5.130 . 6.630 4.486 4.281 4.592 . 0 0 "[ . 1 . 2]" 1
236 1 58 ARG HG3 1 59 HIS H 5.090 . 5.590 3.226 2.108 4.874 . 0 0 "[ . 1 . 2]" 1
237 1 58 ARG HG2 1 59 HIS H 5.090 . 5.590 3.720 2.008 5.249 . 0 0 "[ . 1 . 2]" 1
238 1 56 ILE HA 1 59 HIS H 4.700 . 5.200 3.210 2.932 3.433 . 0 0 "[ . 1 . 2]" 1
239 1 57 LEU HA 1 59 HIS H 4.540 . 5.040 4.434 4.010 4.808 . 0 0 "[ . 1 . 2]" 1
240 1 25 ASP HB3 1 26 ALA H 5.400 . 5.900 3.730 2.477 4.571 . 0 0 "[ . 1 . 2]" 1
241 1 25 ASP HB2 1 26 ALA H 5.400 . 5.900 3.735 1.987 4.656 0.013 5 0 "[ . 1 . 2]" 1
242 1 24 SER HA 1 26 ALA H 5.500 . 6.000 5.319 4.412 5.881 . 0 0 "[ . 1 . 2]" 1
243 1 23 TYR HA 1 26 ALA H 5.500 . 6.000 4.719 3.204 5.863 . 0 0 "[ . 1 . 2]" 1
244 1 59 HIS HA 1 62 ASN HD22 5.500 . 6.000 3.411 2.049 4.670 . 0 0 "[ . 1 . 2]" 1
245 1 30 PHE H 1 88 ILE MD 5.500 . 7.000 5.294 4.651 5.771 . 0 0 "[ . 1 . 2]" 1
246 1 26 ALA MB 1 30 PHE H 5.240 . 6.740 3.049 2.543 3.933 . 0 0 "[ . 1 . 2]" 1
247 1 29 GLU HG3 1 30 PHE H 5.410 . 5.910 4.395 1.989 5.077 0.011 11 0 "[ . 1 . 2]" 1
248 1 28 ASP HA 1 30 PHE H 5.460 . 5.960 4.514 3.616 5.413 . 0 0 "[ . 1 . 2]" 1
249 1 74 THR MG 1 77 MET H 5.210 . 6.710 3.357 2.643 3.944 . 0 0 "[ . 1 . 2]" 1
250 1 74 THR HB 1 77 MET H 5.240 . 5.740 4.550 3.460 5.605 . 0 0 "[ . 1 . 2]" 1
251 1 74 THR HA 1 77 MET H 4.610 . 5.110 4.947 4.547 5.174 0.064 18 0 "[ . 1 . 2]" 1
252 1 77 MET H 1 78 LEU H 4.190 . 4.690 2.630 1.986 3.529 0.014 8 0 "[ . 1 . 2]" 1
253 1 76 SER H 1 77 MET H 5.070 . 5.570 2.332 1.959 3.188 0.041 17 0 "[ . 1 . 2]" 1
254 1 92 MET HA 1 95 LYS H 5.030 . 5.530 3.940 3.170 4.745 . 0 0 "[ . 1 . 2]" 1
255 1 75 GLU HA 1 77 MET H 4.870 . 5.370 3.979 3.102 4.850 . 0 0 "[ . 1 . 2]" 1
256 1 26 ALA MB 1 31 ARG H 5.500 . 7.000 4.261 3.528 4.758 . 0 0 "[ . 1 . 2]" 1
257 1 29 GLU HA 1 31 ARG H 5.140 . 5.640 3.729 3.381 4.369 . 0 0 "[ . 1 . 2]" 1
258 1 31 ARG H 1 38 LEU HA 5.500 . 6.000 4.761 4.431 5.121 . 0 0 "[ . 1 . 2]" 1
259 1 30 PHE HD2 1 31 ARG H 5.500 . 7.000 5.946 5.323 6.341 . 0 0 "[ . 1 . 2]" 1
260 1 87 GLN H 1 90 ALA MB 5.150 . 6.650 4.244 3.894 4.455 . 0 0 "[ . 1 . 2]" 1
261 1 87 GLN H 1 88 ILE HB 5.150 . 5.650 4.845 4.511 5.310 . 0 0 "[ . 1 . 2]" 1
262 1 84 LEU HA 1 87 GLN H 4.610 . 5.110 3.845 3.426 4.319 . 0 0 "[ . 1 . 2]" 1
263 1 85 LYS H 1 87 GLN H 4.840 . 5.340 4.664 4.124 5.352 0.012 19 0 "[ . 1 . 2]" 1
264 1 86 GLU H 1 87 GLN H 4.400 . 4.900 3.158 2.768 3.472 . 0 0 "[ . 1 . 2]" 1
265 1 87 GLN H 1 90 ALA H 4.890 . 5.390 4.741 4.503 4.942 . 0 0 "[ . 1 . 2]" 1
266 1 44 ARG HB2 1 81 VAL H 4.900 . 5.400 5.254 4.917 5.421 0.021 18 0 "[ . 1 . 2]" 1
267 1 43 VAL HA 1 81 VAL H 4.500 . 5.000 2.642 2.226 3.014 . 0 0 "[ . 1 . 2]" 1
268 1 44 ARG H 1 81 VAL H 5.500 . 6.000 3.939 3.444 4.650 . 0 0 "[ . 1 . 2]" 1
269 1 47 SER H 1 49 THR H 5.500 . 6.000 4.559 3.855 5.299 . 0 0 "[ . 1 . 2]" 1
270 1 49 THR H 1 50 ILE H 5.430 . 5.930 4.397 4.286 4.504 . 0 0 "[ . 1 . 2]" 1
271 1 61 LEU HB3 1 62 ASN H 5.220 . 5.720 3.000 2.004 3.911 . 0 0 "[ . 1 . 2]" 1
272 1 61 LEU HB2 1 62 ASN H 5.220 . 5.720 3.692 2.912 4.244 . 0 0 "[ . 1 . 2]" 1
273 1 58 ARG HA 1 62 ASN H 5.090 . 5.590 5.085 4.554 5.555 . 0 0 "[ . 1 . 2]" 1
274 1 59 HIS HA 1 62 ASN H 5.500 . 6.000 4.022 3.517 4.466 . 0 0 "[ . 1 . 2]" 1
275 1 60 LEU HA 1 62 ASN H 5.500 . 6.000 3.877 3.133 4.909 . 0 0 "[ . 1 . 2]" 1
276 1 74 THR H 1 75 GLU HA 5.500 . 6.000 4.886 4.399 5.278 . 0 0 "[ . 1 . 2]" 1
277 1 46 PRO HG3 1 74 THR H 4.470 . 4.970 4.544 3.342 5.019 0.049 19 0 "[ . 1 . 2]" 1
278 1 74 THR H 1 77 MET H 4.660 . 5.160 4.884 4.382 5.229 0.069 1 0 "[ . 1 . 2]" 1
279 1 92 MET ME 1 96 GLN HE22 5.500 . 7.000 3.817 2.096 5.454 . 0 0 "[ . 1 . 2]" 1
280 1 58 ARG H 1 59 HIS HB2 5.500 . 6.000 4.542 4.315 4.719 . 0 0 "[ . 1 . 2]" 1
281 1 55 ILE MD 1 58 ARG H 5.500 . 7.000 5.254 4.885 5.562 . 0 0 "[ . 1 . 2]" 1
282 1 56 ILE HA 1 58 ARG H 5.500 . 6.000 4.504 4.111 4.879 . 0 0 "[ . 1 . 2]" 1
283 1 56 ILE MD 1 58 ARG H 5.500 . 7.000 5.598 5.242 5.749 . 0 0 "[ . 1 . 2]" 1
284 1 58 ARG H 1 59 HIS HB3 5.500 . 6.000 4.789 4.493 5.050 . 0 0 "[ . 1 . 2]" 1
285 1 55 ILE HA 1 58 ARG H 5.190 . 5.690 4.050 3.571 4.627 . 0 0 "[ . 1 . 2]" 1
286 1 58 ARG H 1 59 HIS H 4.230 . 4.730 2.422 2.204 2.584 . 0 0 "[ . 1 . 2]" 1
287 1 58 ARG H 1 60 LEU H 4.940 . 5.440 4.619 4.041 4.962 . 0 0 "[ . 1 . 2]" 1
288 1 57 LEU H 1 58 ARG H 4.490 . 4.990 2.910 2.394 3.375 . 0 0 "[ . 1 . 2]" 1
289 1 59 HIS HA 1 61 LEU H 5.500 . 6.000 4.110 3.700 4.614 . 0 0 "[ . 1 . 2]" 1
290 1 61 LEU H 1 62 ASN H 3.880 . 4.380 2.752 2.330 3.136 . 0 0 "[ . 1 . 2]" 1
291 1 77 MET HG2 1 78 LEU H 5.370 . 5.870 5.064 4.268 5.807 . 0 0 "[ . 1 . 2]" 1
292 1 77 MET HG3 1 78 LEU H 5.370 . 5.870 4.959 3.999 5.903 0.033 1 0 "[ . 1 . 2]" 1
293 1 75 GLU HA 1 78 LEU H 5.250 . 5.750 4.373 3.831 5.758 0.008 17 0 "[ . 1 . 2]" 1
294 1 78 LEU H 1 79 GLU H 5.500 . 6.000 4.551 4.424 4.644 . 0 0 "[ . 1 . 2]" 1
295 1 55 ILE H 1 55 ILE MD 5.250 . 6.750 2.863 2.096 3.747 . 0 0 "[ . 1 . 2]" 1
296 1 55 ILE H 1 56 ILE MD 4.760 . 6.260 4.785 4.339 5.149 . 0 0 "[ . 1 . 2]" 1
297 1 52 ASP HB3 1 55 ILE H 4.280 . 4.780 2.392 2.055 2.989 . 0 0 "[ . 1 . 2]" 1
298 1 52 ASP HA 1 55 ILE H 5.500 . 6.000 4.736 4.373 5.128 . 0 0 "[ . 1 . 2]" 1
299 1 55 ILE H 1 56 ILE H 4.240 . 4.740 2.724 2.232 2.975 . 0 0 "[ . 1 . 2]" 1
300 1 35 MET HG2 1 37 THR H 5.500 . 6.000 4.490 2.188 5.766 . 0 0 "[ . 1 . 2]" 1
301 1 35 MET HG3 1 37 THR H 5.500 . 6.000 4.637 2.911 5.975 . 0 0 "[ . 1 . 2]" 1
302 1 35 MET HA 1 37 THR H 4.480 . 4.980 4.267 2.950 5.112 0.132 17 0 "[ . 1 . 2]" 1
303 1 36 ASP H 1 37 THR H 4.690 . 5.190 2.773 2.260 3.175 . 0 0 "[ . 1 . 2]" 1
304 1 32 ASP H 1 37 THR H 4.980 . 5.480 2.856 2.093 3.583 . 0 0 "[ . 1 . 2]" 1
305 1 35 MET H 1 37 THR H 5.500 . 6.000 4.168 3.438 5.074 . 0 0 "[ . 1 . 2]" 1
306 1 88 ILE HB 1 89 GLN HE21 5.500 . 6.000 4.221 2.291 5.822 . 0 0 "[ . 1 . 2]" 1
307 1 83 GLU HB3 1 84 LEU H 4.480 . 4.980 3.662 2.790 4.520 . 0 0 "[ . 1 . 2]" 1
308 1 83 GLU HB2 1 84 LEU H 4.480 . 4.980 4.034 2.725 4.450 . 0 0 "[ . 1 . 2]" 1
309 1 81 VAL HA 1 84 LEU H 5.500 . 6.000 4.696 4.374 5.368 . 0 0 "[ . 1 . 2]" 1
310 1 84 LEU H 1 87 GLN H 5.500 . 6.000 5.280 4.752 5.929 . 0 0 "[ . 1 . 2]" 1
311 1 84 LEU H 1 86 GLU H 5.500 . 6.000 4.351 3.727 4.968 . 0 0 "[ . 1 . 2]" 1
312 1 26 ALA H 1 91 TRP HE1 5.500 . 7.000 6.687 5.971 7.035 0.035 12 0 "[ . 1 . 2]" 1
313 1 43 VAL H 1 51 MET HB3 5.500 . 6.000 5.591 4.236 5.991 . 0 0 "[ . 1 . 2]" 1
314 1 43 VAL H 1 51 MET HB2 5.500 . 6.000 5.358 4.792 5.991 . 0 0 "[ . 1 . 2]" 1
315 1 32 ASP HA 1 35 MET H 5.500 . 6.000 5.255 4.440 6.075 0.075 12 0 "[ . 1 . 2]" 1
316 1 31 ARG HD2 1 32 ASP H 5.500 . 6.000 5.223 3.934 5.845 . 0 0 "[ . 1 . 2]" 1
317 1 31 ARG HD3 1 32 ASP H 5.500 . 6.000 5.472 4.023 6.042 0.042 3 0 "[ . 1 . 2]" 1
318 1 32 ASP H 1 37 THR HA 5.500 . 6.000 4.252 3.024 5.273 . 0 0 "[ . 1 . 2]" 1
319 1 31 ARG H 1 32 ASP H 5.500 . 6.000 4.488 4.280 4.626 . 0 0 "[ . 1 . 2]" 1
320 1 32 ASP HA 1 34 LEU H 5.500 . 6.000 4.014 3.509 5.246 . 0 0 "[ . 1 . 2]" 1
321 1 29 GLU H 1 31 ARG HD2 5.500 . 6.000 4.951 3.092 6.023 0.023 11 0 "[ . 1 . 2]" 1
322 1 29 GLU H 1 31 ARG HD3 5.500 . 6.000 4.268 2.468 5.759 . 0 0 "[ . 1 . 2]" 1
323 1 29 GLU H 1 30 PHE HD2 5.500 . 7.000 5.667 4.777 6.291 . 0 0 "[ . 1 . 2]" 1
324 1 75 GLU H 1 76 SER H 5.500 . 6.000 3.132 2.034 4.649 . 0 0 "[ . 1 . 2]" 1
325 1 68 PHE H 1 70 ARG HA 5.500 . 6.000 4.895 4.352 5.642 . 0 0 "[ . 1 . 2]" 1
326 1 39 MET HG2 1 53 ARG H 5.210 . 5.710 5.544 5.171 5.782 0.072 17 0 "[ . 1 . 2]" 1
327 1 41 ASP HA 1 53 ARG H 5.500 . 6.000 5.146 4.785 5.353 . 0 0 "[ . 1 . 2]" 1
328 1 50 ILE H 1 51 MET H 5.500 . 6.000 4.438 4.251 4.543 . 0 0 "[ . 1 . 2]" 1
329 1 45 LEU H 1 46 PRO HD3 5.500 . 6.000 5.126 4.784 5.274 . 0 0 "[ . 1 . 2]" 1
330 1 45 LEU H 1 46 PRO HD2 5.500 . 6.000 4.719 4.612 4.921 . 0 0 "[ . 1 . 2]" 1
331 1 45 LEU H 1 49 THR H 5.500 . 6.000 3.047 2.673 3.780 . 0 0 "[ . 1 . 2]" 1
332 1 30 PHE HE2 1 92 MET H 5.500 . 7.000 4.874 3.795 5.671 . 0 0 "[ . 1 . 2]" 1
333 1 39 MET HG2 1 54 SER H 5.500 . 6.000 6.040 5.871 6.143 0.143 18 0 "[ . 1 . 2]" 1
334 1 37 THR HA 1 39 MET H 5.500 . 6.000 5.591 4.582 6.031 0.031 15 0 "[ . 1 . 2]" 1
335 1 32 ASP HA 1 39 MET H 5.500 . 6.000 5.295 4.541 6.013 0.013 17 0 "[ . 1 . 2]" 1
336 1 39 MET H 1 40 THR H 5.500 . 6.000 4.557 4.332 4.644 . 0 0 "[ . 1 . 2]" 1
337 1 38 LEU H 1 39 MET H 5.500 . 6.000 4.403 4.016 4.585 . 0 0 "[ . 1 . 2]" 1
338 1 66 ASP H 1 73 LEU H 4.980 . 5.480 3.025 1.997 4.157 0.003 4 0 "[ . 1 . 2]" 1
339 1 66 ASP H 1 71 GLN H 4.910 . 5.410 3.240 2.352 4.706 . 0 0 "[ . 1 . 2]" 1
340 1 41 ASP H 1 43 VAL MG1 5.500 . 7.000 5.276 5.067 5.571 . 0 0 "[ . 1 . 2]" 1
341 1 41 ASP H 1 43 VAL MG2 5.500 . 7.000 5.465 5.091 5.708 . 0 0 "[ . 1 . 2]" 1
342 1 39 MET ME 1 41 ASP H 5.500 . 7.000 5.653 5.323 5.871 . 0 0 "[ . 1 . 2]" 1
343 1 39 MET HB2 1 41 ASP H 5.500 . 6.000 4.209 3.473 4.832 . 0 0 "[ . 1 . 2]" 1
344 1 39 MET HG3 1 41 ASP H 5.500 . 6.000 5.431 5.017 5.880 . 0 0 "[ . 1 . 2]" 1
345 1 41 ASP H 1 42 PRO HD3 5.500 . 6.000 2.995 2.626 3.472 . 0 0 "[ . 1 . 2]" 1
346 1 63 SER HB3 1 65 THR H 5.500 . 6.000 3.709 2.531 5.561 . 0 0 "[ . 1 . 2]" 1
347 1 63 SER HB2 1 65 THR H 5.500 . 6.000 4.268 3.033 5.367 . 0 0 "[ . 1 . 2]" 1
348 1 36 ASP H 1 37 THR MG 5.500 . 7.000 5.104 3.568 6.003 . 0 0 "[ . 1 . 2]" 1
349 1 32 ASP HA 1 36 ASP H 5.500 . 6.000 4.774 4.037 5.844 . 0 0 "[ . 1 . 2]" 1
350 1 45 LEU H 1 48 GLY H 5.500 . 6.000 4.114 3.674 4.891 . 0 0 "[ . 1 . 2]" 1
351 1 21 ILE MG 1 23 TYR H 5.500 . 7.000 2.508 1.691 4.572 0.309 18 0 "[ . 1 . 2]" 1
352 1 22 ASP H 1 23 TYR H 4.390 . 4.890 3.226 2.466 4.611 . 0 0 "[ . 1 . 2]" 1
353 1 71 GLN HG3 1 72 THR H 5.130 . 5.630 3.461 2.000 5.242 0.000 10 0 "[ . 1 . 2]" 1
354 1 71 GLN HG2 1 72 THR H 5.130 . 5.630 3.611 2.126 4.867 . 0 0 "[ . 1 . 2]" 1
355 1 49 THR MG 1 69 ASN H 5.500 . 7.000 5.476 4.492 5.742 . 0 0 "[ . 1 . 2]" 1
356 1 28 ASP H 1 30 PHE H 5.500 . 6.000 4.755 2.786 5.808 . 0 0 "[ . 1 . 2]" 1
357 1 90 ALA H 1 91 TRP HB2 5.500 . 6.000 5.766 5.579 5.934 . 0 0 "[ . 1 . 2]" 1
358 1 30 PHE HD2 1 88 ILE H 5.500 . 7.000 5.735 4.282 6.650 . 0 0 "[ . 1 . 2]" 1
359 1 30 PHE HE2 1 90 ALA H 5.500 . 7.000 6.226 5.230 7.010 0.010 9 0 "[ . 1 . 2]" 1
360 1 87 GLN H 1 88 ILE H 4.440 . 4.940 2.855 2.562 3.333 . 0 0 "[ . 1 . 2]" 1
361 1 87 GLN H 1 89 GLN H 5.500 . 6.000 4.767 4.141 5.224 . 0 0 "[ . 1 . 2]" 1
362 1 65 THR HB 1 71 GLN H 5.500 . 6.000 4.114 2.690 5.045 . 0 0 "[ . 1 . 2]" 1
363 1 66 ASP HA 1 71 GLN H 5.350 . 5.850 4.591 3.963 5.842 . 0 0 "[ . 1 . 2]" 1
364 1 65 THR HA 1 71 GLN H 5.500 . 6.000 4.081 2.910 5.624 . 0 0 "[ . 1 . 2]" 1
365 1 85 LYS HE3 1 86 GLU H 5.500 . 6.000 5.580 4.405 6.050 0.050 8 0 "[ . 1 . 2]" 1
366 1 85 LYS HE2 1 86 GLU H 5.500 . 6.000 5.694 4.847 6.037 0.037 6 0 "[ . 1 . 2]" 1
367 1 47 SER H 1 74 THR MG 5.500 . 7.000 5.730 5.436 5.834 . 0 0 "[ . 1 . 2]" 1
368 1 45 LEU H 1 47 SER H 5.500 . 6.000 5.137 4.292 5.906 . 0 0 "[ . 1 . 2]" 1
369 1 40 THR H 1 41 ASP HB3 5.500 . 6.000 5.384 4.431 5.888 . 0 0 "[ . 1 . 2]" 1
370 1 40 THR H 1 41 ASP HB2 5.500 . 6.000 5.558 5.276 5.985 . 0 0 "[ . 1 . 2]" 1
371 1 40 THR H 1 42 PRO HD2 5.500 . 6.000 5.934 5.538 6.039 0.039 10 0 "[ . 1 . 2]" 1
372 1 40 THR H 1 52 ASP HA 5.500 . 6.000 4.225 3.830 4.629 . 0 0 "[ . 1 . 2]" 1
373 1 96 GLN HA 1 98 SER H 5.500 . 6.000 4.834 3.226 6.018 0.018 3 0 "[ . 1 . 2]" 1
374 1 63 SER H 1 65 THR MG 5.500 . 7.000 5.241 4.576 5.653 . 0 0 "[ . 1 . 2]" 1
375 1 60 LEU HG 1 63 SER H 5.500 . 6.000 5.709 5.314 6.011 0.011 1 0 "[ . 1 . 2]" 1
376 1 96 GLN HG2 1 97 ASN H 5.500 . 6.000 4.850 3.359 5.821 . 0 0 "[ . 1 . 2]" 1
377 1 96 GLN HG3 1 97 ASN H 5.500 . 6.000 4.256 2.295 5.884 . 0 0 "[ . 1 . 2]" 1
378 1 29 GLU HG2 1 30 PHE H 5.410 . 5.910 4.550 3.285 5.413 . 0 0 "[ . 1 . 2]" 1
379 1 26 ALA MB 1 87 GLN HE22 5.500 . 7.000 5.447 4.786 5.788 . 0 0 "[ . 1 . 2]" 1
380 1 62 ASN H 1 63 SER HB3 5.500 . 6.000 5.089 3.636 6.000 . 0 0 "[ . 1 . 2]" 1
381 1 62 ASN H 1 63 SER HB2 5.500 . 6.000 4.510 3.661 5.419 . 0 0 "[ . 1 . 2]" 1
382 1 73 LEU H 1 74 THR H 5.120 . 5.620 4.187 3.618 4.593 . 0 0 "[ . 1 . 2]" 1
383 1 74 THR H 1 75 GLU H 5.500 . 6.000 4.250 2.311 4.582 . 0 0 "[ . 1 . 2]" 1
384 1 47 SER HA 1 69 ASN HD22 5.500 . 6.000 4.331 2.130 5.699 . 0 0 "[ . 1 . 2]" 1
385 1 32 ASP HA 1 37 THR H 5.500 . 6.000 5.002 4.073 5.706 . 0 0 "[ . 1 . 2]" 1
386 1 37 THR H 1 38 LEU H 5.500 . 6.000 4.440 4.181 4.667 . 0 0 "[ . 1 . 2]" 1
387 1 47 SER HA 1 69 ASN HD21 5.500 . 6.000 4.528 2.209 5.896 . 0 0 "[ . 1 . 2]" 1
388 1 26 ALA MB 1 87 GLN HE21 5.500 . 7.000 5.629 5.041 5.840 . 0 0 "[ . 1 . 2]" 1
389 1 92 MET ME 1 96 GLN HE21 5.500 . 7.000 3.580 1.707 5.042 0.293 19 0 "[ . 1 . 2]" 1
390 1 59 HIS HA 1 62 ASN HD21 5.500 . 6.000 4.305 2.838 5.892 . 0 0 "[ . 1 . 2]" 1
391 1 82 PRO HD2 1 84 LEU H 5.500 . 6.000 4.609 4.050 5.270 . 0 0 "[ . 1 . 2]" 1
392 1 82 PRO HD3 1 84 LEU H 5.500 . 6.000 5.433 5.146 6.006 0.006 13 0 "[ . 1 . 2]" 1
393 1 26 ALA H 1 91 TRP HZ2 5.200 . 5.700 4.225 3.299 4.791 . 0 0 "[ . 1 . 2]" 1
394 1 50 ILE H 1 51 MET ME 5.500 . 7.000 3.849 2.893 4.945 . 0 0 "[ . 1 . 2]" 1
395 1 85 LYS HA 1 87 GLN H 5.500 . 6.000 4.733 3.938 5.428 . 0 0 "[ . 1 . 2]" 1
396 1 59 HIS H 1 59 HIS HD2 5.500 . 6.000 5.377 5.267 5.486 . 0 0 "[ . 1 . 2]" 1
397 1 29 GLU H 1 31 ARG H 5.500 . 6.000 3.082 2.189 4.830 . 0 0 "[ . 1 . 2]" 1
398 1 42 PRO HD2 1 81 VAL H 5.500 . 6.000 5.249 4.898 5.601 . 0 0 "[ . 1 . 2]" 1
399 1 47 SER HA 1 49 THR H 5.500 . 6.000 5.345 4.375 6.014 0.014 10 0 "[ . 1 . 2]" 1
400 1 46 PRO HA 1 49 THR H 5.500 . 6.000 5.620 5.275 5.918 . 0 0 "[ . 1 . 2]" 1
401 1 59 HIS HB3 1 61 LEU H 5.500 . 6.000 4.562 4.300 5.012 . 0 0 "[ . 1 . 2]" 1
402 1 59 HIS HB2 1 61 LEU H 5.500 . 6.000 5.409 5.161 5.842 . 0 0 "[ . 1 . 2]" 1
403 1 55 ILE H 1 58 ARG H 5.500 . 6.000 5.480 5.039 5.857 . 0 0 "[ . 1 . 2]" 1
404 1 52 ASP HB2 1 56 ILE H 5.360 . 5.860 5.863 5.539 5.959 0.099 17 0 "[ . 1 . 2]" 1
405 1 52 ASP HB3 1 56 ILE H 5.360 . 5.860 4.283 3.925 4.461 . 0 0 "[ . 1 . 2]" 1
406 1 56 ILE H 1 58 ARG H 5.500 . 6.000 4.439 3.892 4.936 . 0 0 "[ . 1 . 2]" 1
407 1 54 SER H 1 56 ILE H 5.500 . 6.000 3.619 3.431 3.823 . 0 0 "[ . 1 . 2]" 1
408 1 21 ILE H 1 22 ASP H 4.590 . 5.090 3.833 1.966 4.622 0.034 11 0 "[ . 1 . 2]" 1
409 1 46 PRO HD2 1 79 GLU H 5.500 . 6.000 5.670 5.066 6.064 0.064 6 0 "[ . 1 . 2]" 1
410 1 45 LEU HA 1 79 GLU H 5.240 . 5.740 3.669 2.968 4.212 . 0 0 "[ . 1 . 2]" 1
411 1 44 ARG HB3 1 79 GLU H 5.500 . 6.000 3.504 3.057 3.836 . 0 0 "[ . 1 . 2]" 1
412 1 21 ILE H 1 23 TYR QE 5.500 . 7.000 5.200 1.674 6.383 0.326 18 0 "[ . 1 . 2]" 1
413 1 20 GLU H 1 21 ILE H 3.990 . 4.490 4.138 2.770 4.612 0.122 11 0 "[ . 1 . 2]" 1
414 1 91 TRP H 1 94 GLU HB3 5.500 . 6.000 5.885 5.335 6.077 0.077 14 0 "[ . 1 . 2]" 1
415 1 91 TRP H 1 94 GLU HG2 4.900 . 5.400 4.962 4.264 5.428 0.028 1 0 "[ . 1 . 2]" 1
416 1 91 TRP H 1 92 MET HG3 5.500 . 6.000 4.971 4.526 5.831 . 0 0 "[ . 1 . 2]" 1
417 1 30 PHE HD2 1 91 TRP H 5.500 . 7.000 6.031 5.605 6.996 . 0 0 "[ . 1 . 2]" 1
418 1 52 ASP HB2 1 55 ILE H 4.280 . 4.780 4.083 3.781 4.413 . 0 0 "[ . 1 . 2]" 1
419 1 92 MET H 1 93 ARG H 4.170 . 4.670 2.362 2.227 2.644 . 0 0 "[ . 1 . 2]" 1
420 1 93 ARG HB3 1 94 GLU H 4.030 . 4.530 2.889 2.428 3.347 . 0 0 "[ . 1 . 2]" 1
421 1 31 ARG H 1 39 MET ME 5.500 . 7.000 3.148 2.170 3.813 . 0 0 "[ . 1 . 2]" 1
422 1 88 ILE HB 1 89 GLN HE22 5.500 . 6.000 5.605 3.678 6.036 0.036 13 0 "[ . 1 . 2]" 1
423 1 56 ILE MD 1 59 HIS HE1 5.500 . 7.000 5.794 5.650 5.878 . 0 0 "[ . 1 . 2]" 1
424 1 30 PHE HD2 1 91 TRP HB3 5.500 . 7.000 4.340 3.685 5.345 . 0 0 "[ . 1 . 2]" 1
425 1 30 PHE HD2 1 38 LEU MD1 5.500 . 8.000 3.453 2.691 5.440 . 0 0 "[ . 1 . 2]" 1
426 1 65 THR HA 1 72 THR HA 4.810 . 5.310 2.728 2.207 5.178 . 0 0 "[ . 1 . 2]" 1
427 1 49 THR HA 1 50 ILE HA 4.800 . 5.300 4.445 4.375 4.546 . 0 0 "[ . 1 . 2]" 1
428 1 79 GLU HA 1 80 PRO HG2 5.150 . 5.650 4.414 4.364 4.477 . 0 0 "[ . 1 . 2]" 1
429 1 43 VAL HA 1 81 VAL MG2 5.500 . 7.000 2.857 2.150 5.162 . 0 0 "[ . 1 . 2]" 1
430 1 32 ASP HA 1 33 PRO HG2 5.500 . 6.000 4.444 4.362 4.573 . 0 0 "[ . 1 . 2]" 1
431 1 43 VAL HA 1 44 ARG HB2 4.530 . 5.030 4.392 4.118 4.722 . 0 0 "[ . 1 . 2]" 1
432 1 43 VAL HA 1 81 VAL MG1 5.500 . 7.000 4.666 2.738 5.532 . 0 0 "[ . 1 . 2]" 1
433 1 32 ASP HA 1 39 MET HG2 5.500 . 6.000 3.839 3.028 4.786 . 0 0 "[ . 1 . 2]" 1
434 1 32 ASP HA 1 39 MET HG3 5.500 . 6.000 3.376 2.662 3.910 . 0 0 "[ . 1 . 2]" 1
435 1 33 PRO HD2 1 51 MET HA 5.130 . 5.630 3.095 2.437 3.787 . 0 0 "[ . 1 . 2]" 1
436 1 33 PRO HD3 1 51 MET HA 5.500 . 6.000 3.971 3.377 4.778 . 0 0 "[ . 1 . 2]" 1
437 1 46 PRO HG3 1 73 LEU HA 5.410 . 5.910 5.329 3.499 5.936 0.026 16 0 "[ . 1 . 2]" 1
438 1 73 LEU HA 1 74 THR MG 4.760 . 6.260 3.259 3.070 3.630 . 0 0 "[ . 1 . 2]" 1
439 1 39 MET HG3 1 42 PRO HA 5.500 . 6.000 5.159 4.449 5.532 . 0 0 "[ . 1 . 2]" 1
440 1 35 MET HA 1 55 ILE MD 5.500 . 7.000 5.120 4.385 5.756 . 0 0 "[ . 1 . 2]" 1
441 1 35 MET HA 1 55 ILE HG13 5.500 . 6.000 5.492 4.550 6.101 0.101 7 0 "[ . 1 . 2]" 1
442 1 31 ARG HA 1 33 PRO HD3 5.500 . 6.000 5.900 5.364 6.129 0.129 9 0 "[ . 1 . 2]" 1
443 1 30 PHE HA 1 88 ILE MD 5.350 . 6.850 3.233 2.476 4.123 . 0 0 "[ . 1 . 2]" 1
444 1 30 PHE HA 1 88 ILE HA 5.500 . 6.000 5.730 5.049 6.058 0.058 8 0 "[ . 1 . 2]" 1
445 1 31 ARG HA 1 37 THR MG 5.310 . 6.810 5.197 4.634 5.697 . 0 0 "[ . 1 . 2]" 1
446 1 30 PHE HA 1 50 ILE MG 5.500 . 7.000 5.658 5.238 5.810 . 0 0 "[ . 1 . 2]" 1
447 1 44 ARG HB2 1 81 VAL HA 5.410 . 5.910 5.621 5.098 5.971 0.061 3 0 "[ . 1 . 2]" 1
448 1 56 ILE HA 1 59 HIS HB3 5.500 . 6.000 2.224 2.136 2.389 . 0 0 "[ . 1 . 2]" 1
449 1 45 LEU HA 1 78 LEU HA . . 3.500 2.834 2.198 3.313 . 0 0 "[ . 1 . 2]" 1
450 1 66 ASP HA 1 70 ARG HA 5.500 . 6.000 5.096 4.688 5.715 . 0 0 "[ . 1 . 2]" 1
451 1 68 PHE HA 1 70 ARG HA 5.500 . 6.000 5.696 5.377 6.079 0.079 16 0 "[ . 1 . 2]" 1
452 1 31 ARG HD2 1 37 THR HA 5.500 . 6.000 4.972 4.063 5.951 . 0 0 "[ . 1 . 2]" 1
453 1 31 ARG HD3 1 37 THR HA 5.500 . 6.000 5.352 3.426 6.035 0.035 3 0 "[ . 1 . 2]" 1
454 1 39 MET HA 1 40 THR HA 5.410 . 5.910 4.401 4.373 4.475 . 0 0 "[ . 1 . 2]" 1
455 1 37 THR HA 1 39 MET HG3 5.500 . 6.000 6.001 5.556 6.112 0.112 12 0 "[ . 1 . 2]" 1
456 1 82 PRO HA 1 85 LYS HB2 5.000 . 5.500 3.064 2.135 4.258 . 0 0 "[ . 1 . 2]" 1
457 1 59 HIS HA 1 60 LEU HG 5.180 . 5.680 5.079 4.857 5.524 . 0 0 "[ . 1 . 2]" 1
458 1 75 GLU HB2 1 76 SER HA 5.500 . 6.000 5.246 4.238 5.931 . 0 0 "[ . 1 . 2]" 1
459 1 75 GLU HB3 1 76 SER HA 5.500 . 6.000 4.903 3.970 5.830 . 0 0 "[ . 1 . 2]" 1
460 1 33 PRO HD2 1 39 MET HG3 5.500 . 6.000 5.296 4.473 6.062 0.062 20 0 "[ . 1 . 2]" 1
461 1 39 MET HA 1 40 THR MG 4.330 . 5.830 3.465 3.033 4.586 . 0 0 "[ . 1 . 2]" 1
462 1 39 MET HA 1 42 PRO HB3 5.500 . 6.000 5.939 5.672 6.061 0.061 10 0 "[ . 1 . 2]" 1
463 1 38 LEU HG 1 39 MET HA 5.500 . 6.000 5.051 4.257 5.968 . 0 0 "[ . 1 . 2]" 1
464 1 65 THR HB 1 70 ARG HA 4.680 . 5.180 3.597 2.579 4.016 . 0 0 "[ . 1 . 2]" 1
465 1 92 MET HA 1 93 ARG HA 4.810 . 5.310 4.768 4.691 4.844 . 0 0 "[ . 1 . 2]" 1
466 1 72 THR HB 1 74 THR MG 5.500 . 7.000 3.936 3.153 5.071 . 0 0 "[ . 1 . 2]" 1
467 1 74 THR MG 1 75 GLU HA 4.780 . 6.280 4.910 4.491 5.201 . 0 0 "[ . 1 . 2]" 1
468 1 43 VAL MG2 1 53 ARG HA 4.650 . 6.150 2.609 2.264 2.944 . 0 0 "[ . 1 . 2]" 1
469 1 88 ILE HA 1 91 TRP HB2 5.500 . 6.000 5.374 4.778 5.852 . 0 0 "[ . 1 . 2]" 1
470 1 26 ALA MB 1 30 PHE HB3 5.400 . 6.900 3.668 2.173 4.828 . 0 0 "[ . 1 . 2]" 1
471 1 43 VAL HA 1 80 PRO HA . . 3.500 2.354 2.185 2.871 . 0 0 "[ . 1 . 2]" 1
472 1 59 HIS HD2 1 67 PRO HA 5.500 . 6.000 5.377 3.897 6.013 0.013 6 0 "[ . 1 . 2]" 1
473 1 50 ILE MD 1 51 MET HA 5.500 . 7.000 5.456 4.305 5.920 . 0 0 "[ . 1 . 2]" 1
474 1 40 THR HA 1 88 ILE MD 5.500 . 7.000 4.783 3.765 5.814 . 0 0 "[ . 1 . 2]" 1
475 1 84 LEU HA 1 88 ILE MD 5.500 . 7.000 4.510 3.614 5.314 . 0 0 "[ . 1 . 2]" 1
476 1 26 ALA MB 1 27 PRO HA 5.500 . 7.000 4.374 4.223 4.579 . 0 0 "[ . 1 . 2]" 1
477 1 92 MET HA 1 96 GLN HG3 5.500 . 6.000 5.690 4.870 6.111 0.111 20 0 "[ . 1 . 2]" 1
478 1 92 MET HA 1 96 GLN HG2 5.500 . 6.000 5.023 4.508 5.942 . 0 0 "[ . 1 . 2]" 1
479 1 34 LEU HG 1 37 THR H 5.500 . 6.000 5.918 5.309 6.148 0.148 18 0 "[ . 1 . 2]" 1
480 1 37 THR H 1 39 MET ME 5.500 . 7.000 5.440 4.649 5.771 . 0 0 "[ . 1 . 2]" 1
481 1 89 GLN HA 1 91 TRP HZ3 5.500 . 6.000 5.959 5.573 6.060 0.060 7 0 "[ . 1 . 2]" 1
482 1 91 TRP HZ3 1 92 MET HA 5.050 . 5.550 3.769 3.385 4.141 . 0 0 "[ . 1 . 2]" 1
483 1 88 ILE HA 1 91 TRP HZ3 5.500 . 6.000 4.611 4.008 5.349 . 0 0 "[ . 1 . 2]" 1
484 1 91 TRP HZ3 1 92 MET HB2 5.120 . 5.620 3.101 2.679 3.566 . 0 0 "[ . 1 . 2]" 1
485 1 59 HIS HE1 1 63 SER HB3 5.360 . 5.860 3.300 2.317 5.136 . 0 0 "[ . 1 . 2]" 1
486 1 26 ALA MB 1 91 TRP HZ3 5.500 . 7.000 3.061 2.314 3.783 . 0 0 "[ . 1 . 2]" 1
487 1 38 LEU MD2 1 91 TRP HZ3 5.200 . 6.700 3.676 2.427 4.549 . 0 0 "[ . 1 . 2]" 1
488 1 38 LEU MD1 1 91 TRP HZ3 5.200 . 6.700 2.599 1.957 4.287 0.043 8 0 "[ . 1 . 2]" 1
489 1 59 HIS HE1 1 67 PRO HA 4.630 . 5.130 3.769 2.538 5.046 . 0 0 "[ . 1 . 2]" 1
490 1 59 HIS HE1 1 63 SER HB2 5.360 . 5.860 3.480 2.441 4.664 . 0 0 "[ . 1 . 2]" 1
491 1 27 PRO HG3 1 91 TRP HD1 5.500 . 7.000 4.898 3.940 5.884 . 0 0 "[ . 1 . 2]" 1
492 1 26 ALA HA 1 91 TRP HH2 4.400 . 4.900 3.003 2.391 3.975 . 0 0 "[ . 1 . 2]" 1
493 1 26 ALA MB 1 91 TRP HH2 5.370 . 6.870 2.764 2.305 3.485 . 0 0 "[ . 1 . 2]" 1
494 1 38 LEU MD2 1 91 TRP HH2 5.500 . 7.000 4.839 3.339 5.726 . 0 0 "[ . 1 . 2]" 1
495 1 38 LEU MD1 1 91 TRP HH2 5.500 . 7.000 3.475 2.501 5.727 . 0 0 "[ . 1 . 2]" 1
496 1 23 TYR HA 1 91 TRP HZ2 5.070 . 5.570 3.264 2.417 4.842 . 0 0 "[ . 1 . 2]" 1
497 1 26 ALA HA 1 91 TRP HZ2 5.030 . 5.530 2.509 2.153 3.114 . 0 0 "[ . 1 . 2]" 1
498 1 23 TYR HB2 1 91 TRP HZ2 5.050 . 5.550 3.666 2.426 5.457 . 0 0 "[ . 1 . 2]" 1
499 1 23 TYR HB3 1 91 TRP HZ2 5.050 . 5.550 3.901 3.226 4.548 . 0 0 "[ . 1 . 2]" 1
500 1 91 TRP HZ2 1 95 LYS HE2 5.500 . 6.000 2.987 2.202 4.537 . 0 0 "[ . 1 . 2]" 1
501 1 91 TRP HZ2 1 95 LYS HE3 5.500 . 6.000 4.131 2.993 5.384 . 0 0 "[ . 1 . 2]" 1
502 1 91 TRP HZ2 1 95 LYS HD2 5.500 . 6.000 4.940 3.728 5.671 . 0 0 "[ . 1 . 2]" 1
503 1 91 TRP HZ2 1 92 MET HB2 5.500 . 6.000 5.882 5.633 6.056 0.056 13 0 "[ . 1 . 2]" 1
504 1 34 LEU HA 1 68 PHE QE 5.500 . 7.000 3.224 2.163 4.237 . 0 0 "[ . 1 . 2]" 1
505 1 99 ASP HA 1 100 HIS HD2 5.500 . 6.000 4.620 3.167 5.840 . 0 0 "[ . 1 . 2]" 1
506 1 56 ILE HA 1 59 HIS HD2 4.990 . 5.490 3.691 3.421 3.859 . 0 0 "[ . 1 . 2]" 1
507 1 59 HIS HD2 1 60 LEU HA 5.500 . 6.000 4.991 4.387 5.541 . 0 0 "[ . 1 . 2]" 1
508 1 59 HIS HA 1 59 HIS HD2 5.500 . 6.000 4.740 4.647 4.808 . 0 0 "[ . 1 . 2]" 1
509 1 56 ILE HB 1 59 HIS HD2 5.500 . 6.000 6.006 5.813 6.054 0.054 5 0 "[ . 1 . 2]" 1
510 1 56 ILE MD 1 59 HIS HD2 4.750 . 6.250 2.725 2.406 2.980 . 0 0 "[ . 1 . 2]" 1
511 1 55 ILE MG 1 59 HIS HD2 5.500 . 7.000 5.336 4.560 5.621 . 0 0 "[ . 1 . 2]" 1
512 1 59 HIS HD2 1 60 LEU HG 5.500 . 6.000 5.560 4.441 6.017 0.017 8 0 "[ . 1 . 2]" 1
513 1 56 ILE HG12 1 59 HIS HD2 5.500 . 6.000 5.748 5.448 6.008 0.008 17 0 "[ . 1 . 2]" 1
514 1 56 ILE HG13 1 59 HIS HD2 5.500 . 6.000 5.309 4.988 5.550 . 0 0 "[ . 1 . 2]" 1
515 1 23 TYR HD1 1 95 LYS HE2 5.500 . 7.000 5.178 2.867 7.018 0.018 11 0 "[ . 1 . 2]" 1
516 1 23 TYR HD1 1 95 LYS HE3 5.500 . 7.000 5.046 2.688 6.677 . 0 0 "[ . 1 . 2]" 1
517 1 21 ILE HB 1 23 TYR HD1 5.500 . 7.000 5.159 3.777 7.048 0.048 14 0 "[ . 1 . 2]" 1
518 1 21 ILE MG 1 23 TYR HD1 5.200 . 7.700 3.966 2.416 5.625 . 0 0 "[ . 1 . 2]" 1
519 1 91 TRP HE3 1 92 MET HA 5.500 . 7.000 3.345 3.021 3.644 . 0 0 "[ . 1 . 2]" 1
520 1 23 TYR HD1 1 92 MET HB2 5.500 . 7.000 3.848 2.497 5.174 . 0 0 "[ . 1 . 2]" 1
521 1 26 ALA MB 1 91 TRP HE3 5.030 . 7.530 3.872 3.346 4.483 . 0 0 "[ . 1 . 2]" 1
522 1 38 LEU MD1 1 91 TRP HE3 5.080 . 7.580 4.170 3.607 5.567 . 0 0 "[ . 1 . 2]" 1
523 1 38 LEU MD2 1 91 TRP HE3 5.080 . 7.580 5.139 4.275 6.175 . 0 0 "[ . 1 . 2]" 1
524 1 30 PHE HZ 1 87 GLN HA 5.500 . 6.000 5.478 4.532 6.032 0.032 3 0 "[ . 1 . 2]" 1
525 1 30 PHE HZ 1 91 TRP HB2 5.500 . 6.000 4.176 3.344 5.272 . 0 0 "[ . 1 . 2]" 1
526 1 30 PHE HZ 1 91 TRP HB3 5.320 . 5.820 3.837 3.138 4.503 . 0 0 "[ . 1 . 2]" 1
527 1 30 PHE HZ 1 88 ILE HA 5.500 . 6.000 4.586 3.656 5.461 . 0 0 "[ . 1 . 2]" 1
528 1 26 ALA MB 1 30 PHE HZ 5.350 . 6.850 4.956 4.160 5.496 . 0 0 "[ . 1 . 2]" 1
529 1 27 PRO HG3 1 30 PHE HZ 5.500 . 6.000 5.542 3.794 6.022 0.022 11 0 "[ . 1 . 2]" 1
530 1 30 PHE HE2 1 91 TRP HA 5.500 . 7.000 5.280 4.794 5.884 . 0 0 "[ . 1 . 2]" 1
531 1 30 PHE HE2 1 87 GLN HA 5.500 . 7.000 6.064 4.567 6.937 . 0 0 "[ . 1 . 2]" 1
532 1 30 PHE HE2 1 88 ILE HA 5.230 . 6.730 3.510 2.157 4.325 . 0 0 "[ . 1 . 2]" 1
533 1 30 PHE HE2 1 92 MET HB3 4.920 . 6.420 5.248 4.394 5.975 . 0 0 "[ . 1 . 2]" 1
534 1 30 PHE HE2 1 91 TRP HB2 4.540 . 6.040 3.498 2.686 4.406 . 0 0 "[ . 1 . 2]" 1
535 1 30 PHE HE2 1 91 TRP HB3 4.600 . 6.100 2.554 2.188 3.365 . 0 0 "[ . 1 . 2]" 1
536 1 26 ALA MB 1 30 PHE HE2 4.300 . 6.800 3.493 2.415 4.482 . 0 0 "[ . 1 . 2]" 1
537 1 34 LEU HA 1 68 PHE HZ 4.810 . 5.310 3.163 2.186 5.322 0.012 10 0 "[ . 1 . 2]" 1
538 1 34 LEU HB2 1 68 PHE HZ 4.670 . 5.170 3.413 2.189 5.122 . 0 0 "[ . 1 . 2]" 1
539 1 34 LEU HB3 1 68 PHE HZ 4.670 . 5.170 3.981 2.979 5.172 0.002 13 0 "[ . 1 . 2]" 1
540 1 23 TYR QE 1 95 LYS HA 5.500 . 7.000 6.272 4.949 6.958 . 0 0 "[ . 1 . 2]" 1
541 1 23 TYR QE 1 92 MET HA 4.870 . 6.370 5.228 4.035 6.020 . 0 0 "[ . 1 . 2]" 1
542 1 23 TYR QE 1 92 MET HB2 5.500 . 7.000 4.027 2.182 4.933 . 0 0 "[ . 1 . 2]" 1
543 1 23 TYR QE 1 92 MET ME 5.370 . 7.870 3.031 2.123 4.869 . 0 0 "[ . 1 . 2]" 1
544 1 21 ILE MD 1 23 TYR QE 5.230 . 7.730 2.859 2.087 3.883 . 0 0 "[ . 1 . 2]" 1
545 1 21 ILE MG 1 23 TYR QE 4.940 . 7.440 2.226 1.899 3.248 0.101 8 0 "[ . 1 . 2]" 1
546 1 30 PHE HD2 1 38 LEU HA 5.500 . 7.000 5.813 5.198 6.320 . 0 0 "[ . 1 . 2]" 1
547 1 26 ALA HA 1 30 PHE HD2 5.460 . 6.960 4.637 3.729 6.175 . 0 0 "[ . 1 . 2]" 1
548 1 30 PHE HD2 1 88 ILE HA 5.500 . 7.000 3.308 2.220 4.116 . 0 0 "[ . 1 . 2]" 1
549 1 30 PHE HD2 1 39 MET ME 5.500 . 8.000 5.949 5.191 6.383 . 0 0 "[ . 1 . 2]" 1
550 1 26 ALA MB 1 30 PHE HD2 4.390 . 6.890 2.334 1.988 3.502 0.012 5 0 "[ . 1 . 2]" 1
551 1 30 PHE HD2 1 38 LEU MD2 5.500 . 8.000 4.879 4.065 5.975 . 0 0 "[ . 1 . 2]" 1
552 1 30 PHE HD2 1 88 ILE MD 4.650 . 7.150 4.578 3.775 5.648 . 0 0 "[ . 1 . 2]" 1
553 1 91 TRP HZ3 1 92 MET HG2 4.240 . 4.740 4.180 3.904 4.565 . 0 0 "[ . 1 . 2]" 1
554 1 91 TRP HE3 1 92 MET HG2 5.500 . 7.000 3.953 3.372 4.424 . 0 0 "[ . 1 . 2]" 1
555 1 91 TRP HE3 1 92 MET ME 5.500 . 8.000 5.266 4.724 5.852 . 0 0 "[ . 1 . 2]" 1
556 1 91 TRP HE3 1 92 MET HB2 5.070 . 6.570 3.755 3.336 4.099 . 0 0 "[ . 1 . 2]" 1
557 1 35 MET ME 1 68 PHE QE 5.500 . 8.000 5.957 4.046 6.546 . 0 0 "[ . 1 . 2]" 1
558 1 30 PHE HD2 1 91 TRP HZ3 5.500 . 7.000 3.397 2.216 4.352 . 0 0 "[ . 1 . 2]" 1
559 1 30 PHE HZ 1 91 TRP HD1 5.500 . 7.000 5.584 4.781 6.913 . 0 0 "[ . 1 . 2]" 1
560 1 30 PHE HD2 1 91 TRP HE3 5.500 . 8.000 3.227 2.571 3.807 . 0 0 "[ . 1 . 2]" 1
561 1 30 PHE HE2 1 91 TRP HZ3 5.500 . 7.000 4.708 3.546 5.666 . 0 0 "[ . 1 . 2]" 1
562 1 30 PHE HE2 1 91 TRP HD1 5.040 . 7.540 4.586 3.524 5.459 . 0 0 "[ . 1 . 2]" 1
563 1 30 PHE HE2 1 90 ALA MB 5.500 . 8.000 5.498 4.562 6.308 . 0 0 "[ . 1 . 2]" 1
564 1 30 PHE HZ 1 90 ALA MB 5.500 . 7.000 5.663 5.539 5.748 . 0 0 "[ . 1 . 2]" 1
565 1 27 PRO HG2 1 30 PHE HZ 5.500 . 6.000 4.143 3.256 4.990 . 0 0 "[ . 1 . 2]" 1
566 1 26 ALA HA 1 30 PHE HE2 5.260 . 6.760 5.386 3.994 6.806 0.046 17 0 "[ . 1 . 2]" 1
567 1 23 TYR QE 1 95 LYS HE3 5.500 . 7.000 5.642 3.633 6.495 . 0 0 "[ . 1 . 2]" 1
568 1 23 TYR QE 1 95 LYS HE2 5.500 . 7.000 6.128 2.486 6.689 . 0 0 "[ . 1 . 2]" 1
569 1 91 TRP HE3 1 95 LYS HE2 5.500 . 7.000 5.876 4.809 7.019 0.019 15 0 "[ . 1 . 2]" 1
570 1 91 TRP HE3 1 95 LYS HE3 5.500 . 7.000 6.762 5.990 7.059 0.059 2 0 "[ . 1 . 2]" 1
571 1 27 PRO HG2 1 91 TRP HD1 5.500 . 7.000 5.159 3.797 6.038 . 0 0 "[ . 1 . 2]" 1
572 1 80 PRO HB2 1 82 PRO HA 5.350 . 5.850 5.209 4.839 5.557 . 0 0 "[ . 1 . 2]" 1
573 1 55 ILE HA 1 58 ARG HG3 5.500 . 6.000 3.770 2.908 4.763 . 0 0 "[ . 1 . 2]" 1
574 1 60 LEU HA 1 64 PRO HA 5.500 . 6.000 2.257 2.159 2.609 . 0 0 "[ . 1 . 2]" 1
575 1 60 LEU HG 1 64 PRO HA 5.420 . 5.920 4.767 2.923 5.558 . 0 0 "[ . 1 . 2]" 1
576 1 54 SER HA 1 57 LEU HB3 5.500 . 6.000 3.766 3.113 4.292 . 0 0 "[ . 1 . 2]" 1
577 1 54 SER HA 1 57 LEU HG 5.500 . 6.000 4.454 3.673 5.544 . 0 0 "[ . 1 . 2]" 1
578 1 54 SER HA 1 57 LEU HB2 5.500 . 6.000 2.481 2.188 2.922 . 0 0 "[ . 1 . 2]" 1
579 1 42 PRO HD2 1 85 LYS HA 5.500 . 6.000 4.394 3.384 5.447 . 0 0 "[ . 1 . 2]" 1
580 1 85 LYS HA 1 88 ILE HB 5.060 . 5.560 2.492 2.182 3.128 . 0 0 "[ . 1 . 2]" 1
581 1 85 LYS HA 1 88 ILE MG 5.500 . 7.000 3.753 3.256 4.365 . 0 0 "[ . 1 . 2]" 1
582 1 53 ARG HA 1 56 ILE MD 5.500 . 7.000 4.459 4.119 4.756 . 0 0 "[ . 1 . 2]" 1
583 1 56 ILE HA 1 59 HIS HB2 5.500 . 6.000 2.306 2.186 2.595 . 0 0 "[ . 1 . 2]" 1
584 1 56 ILE HA 1 73 LEU HG 5.500 . 6.000 5.398 4.399 6.181 0.181 19 0 "[ . 1 . 2]" 1
585 1 44 ARG HA 1 50 ILE HA . . 3.500 2.502 2.164 2.695 . 0 0 "[ . 1 . 2]" 1
586 1 68 PHE HA 1 68 PHE QD 5.500 . 7.000 2.475 2.163 3.123 . 0 0 "[ . 1 . 2]" 1
587 1 65 THR HA 1 73 LEU HB2 5.500 . 6.000 3.181 2.250 3.994 . 0 0 "[ . 1 . 2]" 1
588 1 68 PHE HA 1 68 PHE QE 5.500 . 7.000 4.394 4.172 5.051 . 0 0 "[ . 1 . 2]" 1
589 1 65 THR HA 1 73 LEU HB3 5.500 . 6.000 4.077 3.114 5.339 . 0 0 "[ . 1 . 2]" 1
590 1 27 PRO HB2 1 29 GLU HA 5.500 . 6.000 5.592 4.776 6.045 0.045 11 0 "[ . 1 . 2]" 1
591 1 43 VAL HA 1 50 ILE MD 5.500 . 7.000 4.491 2.846 5.826 . 0 0 "[ . 1 . 2]" 1
592 1 65 THR MG 1 70 ARG HA 5.370 . 6.870 4.754 4.205 5.335 . 0 0 "[ . 1 . 2]" 1
593 1 95 LYS HA 1 95 LYS HD2 5.500 . 6.000 3.955 2.612 5.383 . 0 0 "[ . 1 . 2]" 1
594 1 39 MET HA 1 55 ILE MD 5.500 . 7.000 5.786 5.685 5.865 . 0 0 "[ . 1 . 2]" 1
595 1 84 LEU HA 1 84 LEU MD2 5.500 . 7.000 2.567 2.008 3.803 . 0 0 "[ . 1 . 2]" 1
596 1 34 LEU HA 1 34 LEU MD1 5.450 . 6.950 2.511 1.945 4.120 0.055 19 0 "[ . 1 . 2]" 1
597 1 31 ARG HA 1 38 LEU HA 5.320 . 5.820 2.680 2.175 3.352 . 0 0 "[ . 1 . 2]" 1
598 1 45 LEU HA 1 45 LEU MD1 5.500 . 7.000 2.994 2.022 4.125 . 0 0 "[ . 1 . 2]" 1
599 1 39 MET HG2 1 52 ASP HA 5.330 . 5.830 3.418 3.035 3.672 . 0 0 "[ . 1 . 2]" 1
600 1 39 MET HA 1 51 MET HA 5.500 . 6.000 5.851 5.302 6.050 0.050 13 0 "[ . 1 . 2]" 1
601 1 51 MET HA 1 51 MET ME 5.250 . 6.750 4.152 3.614 5.038 . 0 0 "[ . 1 . 2]" 1
602 1 32 ASP HA 1 33 PRO HG3 5.500 . 6.000 4.364 4.222 4.410 . 0 0 "[ . 1 . 2]" 1
603 1 32 ASP HA 1 39 MET HA 5.440 . 5.940 5.804 5.094 6.024 0.084 14 0 "[ . 1 . 2]" 1
604 1 32 ASP HB2 1 33 PRO HD3 5.500 . 6.000 4.402 3.717 4.793 . 0 0 "[ . 1 . 2]" 1
605 1 32 ASP HB3 1 33 PRO HD3 5.500 . 6.000 4.826 4.579 4.985 . 0 0 "[ . 1 . 2]" 1
606 1 33 PRO HD3 1 51 MET ME 5.500 . 7.000 5.549 5.099 5.760 . 0 0 "[ . 1 . 2]" 1
607 1 33 PRO HD2 1 51 MET HB2 5.500 . 6.000 4.157 2.605 5.130 . 0 0 "[ . 1 . 2]" 1
608 1 33 PRO HD2 1 39 MET ME 5.500 . 7.000 4.624 3.972 5.498 . 0 0 "[ . 1 . 2]" 1
609 1 66 ASP HA 1 67 PRO HG3 5.500 . 6.000 4.425 4.380 4.562 . 0 0 "[ . 1 . 2]" 1
610 1 66 ASP HA 1 73 LEU HG 5.500 . 6.000 3.678 2.928 4.645 . 0 0 "[ . 1 . 2]" 1
611 1 45 LEU HG 1 46 PRO HD2 5.500 . 6.000 3.958 2.193 4.733 . 0 0 "[ . 1 . 2]" 1
612 1 46 PRO HD3 1 74 THR MG 5.500 . 7.000 4.094 3.643 4.572 . 0 0 "[ . 1 . 2]" 1
613 1 42 PRO HD2 1 85 LYS HD2 5.500 . 6.000 3.707 2.557 4.980 . 0 0 "[ . 1 . 2]" 1
614 1 42 PRO HD2 1 85 LYS HD3 5.500 . 6.000 4.128 2.190 5.949 . 0 0 "[ . 1 . 2]" 1
615 1 42 PRO HD2 1 88 ILE MD 5.500 . 7.000 4.063 3.547 4.765 . 0 0 "[ . 1 . 2]" 1
616 1 34 LEU HB3 1 55 ILE MG 5.500 . 7.000 4.052 2.937 5.062 . 0 0 "[ . 1 . 2]" 1
617 1 34 LEU HB2 1 55 ILE MG 5.500 . 7.000 4.595 3.483 5.628 . 0 0 "[ . 1 . 2]" 1
618 1 39 MET HA 1 52 ASP HB3 5.500 . 6.000 4.066 3.672 4.444 . 0 0 "[ . 1 . 2]" 1
619 1 39 MET HA 1 52 ASP HB2 5.500 . 6.000 2.613 2.278 2.899 . 0 0 "[ . 1 . 2]" 1
620 1 55 ILE HA 1 58 ARG HD2 5.500 . 6.000 4.089 2.214 6.031 0.031 12 0 "[ . 1 . 2]" 1
621 1 55 ILE HA 1 58 ARG HD3 5.500 . 6.000 4.435 2.187 5.710 . 0 0 "[ . 1 . 2]" 1
622 1 26 ALA MB 1 31 ARG HD2 5.500 . 7.000 4.729 2.849 5.718 . 0 0 "[ . 1 . 2]" 1
623 1 26 ALA MB 1 31 ARG HD3 5.500 . 7.000 4.272 2.486 5.717 . 0 0 "[ . 1 . 2]" 1
624 1 95 LYS HA 1 95 LYS HE2 5.500 . 6.000 5.463 4.069 6.066 0.066 19 0 "[ . 1 . 2]" 1
625 1 45 LEU HB3 1 46 PRO HD3 5.500 . 6.000 3.798 2.427 4.918 . 0 0 "[ . 1 . 2]" 1
626 1 45 LEU HB3 1 46 PRO HD2 5.500 . 6.000 2.547 2.072 3.686 . 0 0 "[ . 1 . 2]" 1
627 1 45 LEU HB2 1 46 PRO HD2 5.500 . 6.000 2.647 2.156 3.852 . 0 0 "[ . 1 . 2]" 1
628 1 45 LEU HB2 1 46 PRO HD3 5.500 . 6.000 3.965 3.139 4.962 . 0 0 "[ . 1 . 2]" 1
629 1 43 VAL HB 1 78 LEU HA 5.500 . 6.000 5.219 4.334 5.749 . 0 0 "[ . 1 . 2]" 1
630 1 79 GLU HA 1 80 PRO HB2 5.500 . 6.000 5.533 5.283 5.561 . 0 0 "[ . 1 . 2]" 1
631 1 91 TRP HB3 1 92 MET HG3 5.500 . 6.000 5.589 5.084 6.097 0.097 8 0 "[ . 1 . 2]" 1
632 1 91 TRP HB3 1 92 MET HG2 5.500 . 6.000 5.802 4.830 6.106 0.106 18 0 "[ . 1 . 2]" 1
633 1 56 ILE MD 1 59 HIS HB2 5.500 . 7.000 3.086 2.863 3.257 . 0 0 "[ . 1 . 2]" 1
634 1 91 TRP HA 1 94 GLU HB3 5.160 . 5.660 4.013 3.719 4.295 . 0 0 "[ . 1 . 2]" 1
635 1 91 TRP HB3 1 91 TRP HZ3 5.500 . 6.000 5.055 4.936 5.106 . 0 0 "[ . 1 . 2]" 1
636 1 46 PRO HG2 1 74 THR MG 5.500 . 7.000 3.398 2.637 3.825 . 0 0 "[ . 1 . 2]" 1
637 1 45 LEU HA 1 45 LEU MD2 5.500 . 7.000 3.163 1.948 4.082 0.052 1 0 "[ . 1 . 2]" 1
638 1 67 PRO HD2 1 73 LEU HG 5.500 . 6.000 5.142 4.027 6.061 0.061 18 0 "[ . 1 . 2]" 1
639 1 67 PRO HD3 1 73 LEU HG 5.500 . 6.000 4.906 3.617 5.874 . 0 0 "[ . 1 . 2]" 1
640 1 44 ARG HA 1 45 LEU HA 5.290 . 5.790 4.398 4.378 4.443 . 0 0 "[ . 1 . 2]" 1
641 1 50 ILE MG 1 84 LEU HG 5.190 . 6.690 3.902 2.529 5.420 . 0 0 "[ . 1 . 2]" 1
642 1 23 TYR HA 1 91 TRP HH2 5.500 . 6.000 3.010 2.194 3.812 . 0 0 "[ . 1 . 2]" 1
643 1 88 ILE HA 1 88 ILE MD 5.500 . 7.000 3.731 3.572 3.784 . 0 0 "[ . 1 . 2]" 1
644 1 88 ILE HA 1 91 TRP HB3 5.500 . 6.000 3.698 3.247 4.107 . 0 0 "[ . 1 . 2]" 1
645 1 42 PRO HD2 1 82 PRO HA 5.500 . 6.000 5.082 4.093 5.891 . 0 0 "[ . 1 . 2]" 1
646 1 72 THR HA 1 73 LEU HA 5.500 . 6.000 4.815 4.400 5.367 . 0 0 "[ . 1 . 2]" 1
647 1 33 PRO HA 1 49 THR MG 5.500 . 7.000 5.703 5.285 5.889 . 0 0 "[ . 1 . 2]" 1
648 1 63 SER HB3 1 65 THR MG 5.500 . 7.000 3.832 2.051 5.454 . 0 0 "[ . 1 . 2]" 1
649 1 63 SER HB2 1 65 THR MG 5.500 . 7.000 4.485 3.274 5.618 . 0 0 "[ . 1 . 2]" 1
650 1 42 PRO HA 1 43 VAL MG1 5.500 . 7.000 3.941 3.822 4.076 . 0 0 "[ . 1 . 2]" 1
651 1 42 PRO HA 1 50 ILE MG 5.500 . 7.000 3.104 2.568 3.401 . 0 0 "[ . 1 . 2]" 1
652 1 42 PRO HA 1 52 ASP HA . . 3.500 3.066 2.667 3.450 . 0 0 "[ . 1 . 2]" 1
653 1 45 LEU MD1 1 50 ILE HA 5.500 . 7.000 4.289 2.600 5.823 . 0 0 "[ . 1 . 2]" 1
654 1 44 ARG HB3 1 50 ILE HA 5.500 . 6.000 5.325 4.903 5.687 . 0 0 "[ . 1 . 2]" 1
655 1 43 VAL HA 1 80 PRO HB3 5.500 . 6.000 4.394 4.033 5.060 . 0 0 "[ . 1 . 2]" 1
656 1 42 PRO HB2 1 43 VAL HA 5.500 . 6.000 4.396 4.314 4.491 . 0 0 "[ . 1 . 2]" 1
657 1 43 VAL HA 1 81 VAL HB 5.500 . 6.000 4.438 3.187 5.738 . 0 0 "[ . 1 . 2]" 1
658 1 43 VAL HA 1 80 PRO HB2 5.500 . 6.000 4.877 4.584 5.418 . 0 0 "[ . 1 . 2]" 1
659 1 55 ILE HA 1 58 ARG HG2 5.500 . 6.000 4.198 2.600 5.905 . 0 0 "[ . 1 . 2]" 1
660 1 49 THR HA 1 50 ILE HB 5.500 . 6.000 4.412 4.047 4.647 . 0 0 "[ . 1 . 2]" 1
661 1 91 TRP HA 1 94 GLU HG3 5.500 . 6.000 3.819 3.031 4.603 . 0 0 "[ . 1 . 2]" 1
662 1 21 ILE HA 1 22 ASP HA 5.500 . 6.000 4.478 4.288 4.930 . 0 0 "[ . 1 . 2]" 1
663 1 92 MET HA 1 95 LYS HG2 5.500 . 6.000 3.236 2.303 4.246 . 0 0 "[ . 1 . 2]" 1
664 1 80 PRO HB2 1 81 VAL HA 5.500 . 6.000 4.425 4.258 4.572 . 0 0 "[ . 1 . 2]" 1
665 1 67 PRO HG3 1 68 PHE HA 5.500 . 6.000 6.016 5.853 6.071 0.071 15 0 "[ . 1 . 2]" 1
666 1 58 ARG HA 1 58 ARG HD2 5.500 . 6.000 4.795 3.042 5.485 . 0 0 "[ . 1 . 2]" 1
667 1 58 ARG HA 1 58 ARG HD3 5.500 . 6.000 4.533 2.644 5.500 . 0 0 "[ . 1 . 2]" 1
668 1 92 MET HG3 1 93 ARG HA 5.500 . 6.000 3.440 2.945 4.125 . 0 0 "[ . 1 . 2]" 1
669 1 91 TRP HD1 1 92 MET HA 5.500 . 7.000 5.603 5.430 5.862 . 0 0 "[ . 1 . 2]" 1
670 1 56 ILE MG 1 59 HIS HA 5.500 . 7.000 5.469 5.213 5.684 . 0 0 "[ . 1 . 2]" 1
671 1 56 ILE MD 1 59 HIS HA 5.500 . 7.000 5.133 4.904 5.271 . 0 0 "[ . 1 . 2]" 1
672 1 91 TRP HA 1 94 GLU HA 5.500 . 6.000 5.970 5.831 6.066 0.066 20 0 "[ . 1 . 2]" 1
673 1 91 TRP HA 1 94 GLU HG2 5.500 . 6.000 2.607 2.160 3.145 . 0 0 "[ . 1 . 2]" 1
674 1 5 PHE HA 1 5 PHE HD1 5.500 . 7.000 2.966 2.221 3.886 . 0 0 "[ . 1 . 2]" 1
675 1 5 PHE HA 1 5 PHE HE1 5.500 . 7.000 4.761 4.211 5.537 . 0 0 "[ . 1 . 2]" 1
676 1 5 PHE HA 1 5 PHE HZ 5.500 . 6.000 5.664 5.485 6.004 0.004 15 0 "[ . 1 . 2]" 1
677 1 23 TYR HA 1 26 ALA MB 5.500 . 7.000 4.958 4.222 5.688 . 0 0 "[ . 1 . 2]" 1
678 1 23 TYR HA 1 95 LYS HE3 5.500 . 6.000 3.555 2.702 5.785 . 0 0 "[ . 1 . 2]" 1
679 1 23 TYR HA 1 95 LYS HE2 5.500 . 6.000 3.387 2.192 5.422 . 0 0 "[ . 1 . 2]" 1
680 1 39 MET HA 1 55 ILE HG12 5.500 . 6.000 5.266 4.893 5.909 . 0 0 "[ . 1 . 2]" 1
681 1 90 ALA HA 1 93 ARG HB3 5.500 . 6.000 3.189 2.331 4.811 . 0 0 "[ . 1 . 2]" 1
682 1 90 ALA HA 1 93 ARG HB2 5.500 . 6.000 3.305 2.235 4.178 . 0 0 "[ . 1 . 2]" 1
683 1 21 ILE MG 1 96 GLN HA 5.500 . 7.000 4.417 2.382 5.741 . 0 0 "[ . 1 . 2]" 1
684 1 95 LYS HA 1 96 GLN HB2 6.000 2.500 6.500 5.995 4.842 6.599 0.099 14 0 "[ . 1 . 2]" 1
685 1 95 LYS HA 1 96 GLN HB3 5.500 . 6.000 5.618 4.826 6.137 0.137 1 0 "[ . 1 . 2]" 1
686 1 39 MET ME 1 51 MET HA 5.500 . 7.000 4.253 3.436 4.964 . 0 0 "[ . 1 . 2]" 1
687 1 63 SER HA 1 65 THR MG 4.570 . 6.070 3.474 2.924 4.100 . 0 0 "[ . 1 . 2]" 1
688 1 74 THR MG 1 78 LEU HA 5.500 . 7.000 5.320 4.849 5.688 . 0 0 "[ . 1 . 2]" 1
689 1 44 ARG HA 1 44 ARG HD2 5.500 . 6.000 4.266 2.987 4.998 . 0 0 "[ . 1 . 2]" 1
690 1 44 ARG HA 1 44 ARG HD3 5.500 . 6.000 4.040 2.169 4.654 . 0 0 "[ . 1 . 2]" 1
691 1 21 ILE MG 1 22 ASP HA 5.500 . 7.000 4.096 3.158 5.323 . 0 0 "[ . 1 . 2]" 1
692 1 33 PRO HD2 1 49 THR MG 5.500 . 7.000 4.386 3.346 5.484 . 0 0 "[ . 1 . 2]" 1
693 1 33 PRO HD3 1 49 THR MG 5.500 . 7.000 4.635 3.927 5.623 . 0 0 "[ . 1 . 2]" 1
694 1 69 ASN HA 1 70 ARG HG2 5.500 . 6.000 4.607 3.096 6.114 0.114 16 0 "[ . 1 . 2]" 1
695 1 69 ASN HA 1 70 ARG HG3 5.500 . 6.000 4.467 3.363 6.051 0.051 9 0 "[ . 1 . 2]" 1
696 1 44 ARG HD2 1 48 GLY HA2 5.500 . 6.000 3.919 2.487 4.372 . 0 0 "[ . 1 . 2]" 1
697 1 44 ARG HD3 1 48 GLY HA2 5.500 . 6.000 3.766 2.711 4.317 . 0 0 "[ . 1 . 2]" 1
698 1 44 ARG HD2 1 48 GLY HA3 5.500 . 6.000 5.577 4.176 6.027 0.027 11 0 "[ . 1 . 2]" 1
699 1 44 ARG HD3 1 48 GLY HA3 5.500 . 6.000 5.333 4.469 5.857 . 0 0 "[ . 1 . 2]" 1
700 1 95 LYS HA 1 95 LYS HE3 5.500 . 6.000 4.658 4.274 5.682 . 0 0 "[ . 1 . 2]" 1
701 1 42 PRO HD3 1 85 LYS HE2 5.500 . 6.000 4.985 2.636 6.010 0.010 18 0 "[ . 1 . 2]" 1
702 1 42 PRO HD3 1 85 LYS HE3 5.500 . 6.000 4.660 2.520 5.992 . 0 0 "[ . 1 . 2]" 1
703 1 16 ASN HB2 1 17 ALA HA 5.500 . 6.000 5.032 4.102 6.021 0.021 10 0 "[ . 1 . 2]" 1
704 1 16 ASN HB3 1 17 ALA HA 5.500 . 6.000 4.937 3.807 5.955 . 0 0 "[ . 1 . 2]" 1
705 1 33 PRO HD2 1 51 MET HB3 5.500 . 6.000 3.316 2.375 5.445 . 0 0 "[ . 1 . 2]" 1
706 1 91 TRP HB3 1 94 GLU HG2 5.500 . 6.000 5.290 4.902 5.628 . 0 0 "[ . 1 . 2]" 1
707 1 94 GLU HG2 1 95 LYS HA 5.500 . 6.000 5.176 3.595 6.029 0.029 12 0 "[ . 1 . 2]" 1
708 1 43 VAL HB 1 80 PRO HA 5.500 . 6.000 3.361 2.709 3.939 . 0 0 "[ . 1 . 2]" 1
709 1 38 LEU MD2 1 92 MET HB2 5.500 . 7.000 4.531 3.387 5.579 . 0 0 "[ . 1 . 2]" 1
710 1 38 LEU MD2 1 92 MET HB3 5.500 . 7.000 4.309 3.150 5.061 . 0 0 "[ . 1 . 2]" 1
711 1 42 PRO HB3 1 50 ILE MG 5.500 . 7.000 2.794 2.376 3.134 . 0 0 "[ . 1 . 2]" 1
712 1 82 PRO HA 1 85 LYS HB3 5.000 . 5.500 3.779 2.304 5.067 . 0 0 "[ . 1 . 2]" 1
713 1 88 ILE MG 1 92 MET HG2 5.470 . 6.970 2.974 2.297 3.944 . 0 0 "[ . 1 . 2]" 1
714 1 92 MET HG3 1 93 ARG HG2 5.500 . 6.000 5.079 2.601 6.046 0.046 20 0 "[ . 1 . 2]" 1
715 1 92 MET HG3 1 93 ARG HG3 5.500 . 6.000 4.809 2.956 5.713 . 0 0 "[ . 1 . 2]" 1
716 1 38 LEU MD1 1 92 MET HB2 5.500 . 7.000 4.222 2.591 5.379 . 0 0 "[ . 1 . 2]" 1
717 1 38 LEU MD1 1 92 MET HB3 5.500 . 7.000 3.768 2.375 4.595 . 0 0 "[ . 1 . 2]" 1
718 1 92 MET HA 1 95 LYS HB2 5.500 . 6.000 3.981 2.605 5.370 . 0 0 "[ . 1 . 2]" 1
719 1 92 MET HA 1 95 LYS HB3 5.500 . 6.000 4.653 2.162 5.594 . 0 0 "[ . 1 . 2]" 1
720 1 21 ILE MG 1 95 LYS HB2 5.500 . 7.000 4.592 3.836 5.848 . 0 0 "[ . 1 . 2]" 1
721 1 21 ILE MG 1 95 LYS HB3 5.500 . 7.000 5.353 4.164 5.864 . 0 0 "[ . 1 . 2]" 1
722 1 86 GLU HB2 1 90 ALA MB 5.500 . 7.000 4.590 3.917 5.654 . 0 0 "[ . 1 . 2]" 1
723 1 86 GLU HB3 1 90 ALA MB 5.500 . 7.000 4.779 3.864 5.602 . 0 0 "[ . 1 . 2]" 1
724 1 39 MET HA 1 55 ILE HG13 5.500 . 6.000 5.792 5.346 6.175 0.175 19 0 "[ . 1 . 2]" 1
725 1 80 PRO HG2 1 81 VAL HA 5.500 . 6.000 5.097 4.877 6.023 0.023 4 0 "[ . 1 . 2]" 1
726 1 42 PRO HB2 1 84 LEU HG 5.180 . 5.680 3.448 2.596 4.133 . 0 0 "[ . 1 . 2]" 1
727 1 42 PRO HD2 1 84 LEU HG 5.500 . 6.000 5.695 4.489 6.028 0.028 20 0 "[ . 1 . 2]" 1
728 1 42 PRO HA 1 84 LEU HG 5.500 . 6.000 5.764 4.993 6.048 0.048 11 0 "[ . 1 . 2]" 1
729 1 45 LEU MD2 1 50 ILE HA 5.500 . 7.000 3.490 2.501 5.386 . 0 0 "[ . 1 . 2]" 1
730 1 65 THR HA 1 73 LEU HG 5.500 . 6.000 5.473 4.339 5.980 . 0 0 "[ . 1 . 2]" 1
731 1 91 TRP HZ2 1 95 LYS HD3 5.500 . 6.000 4.197 3.628 5.470 . 0 0 "[ . 1 . 2]" 1
732 1 26 ALA HA 1 27 PRO HG3 5.500 . 6.000 4.388 4.051 4.655 . 0 0 "[ . 1 . 2]" 1
733 1 31 ARG HA 1 38 LEU MD1 5.500 . 7.000 4.713 3.472 5.859 . 0 0 "[ . 1 . 2]" 1
734 1 38 LEU HA 1 38 LEU MD1 4.850 . 6.350 2.938 2.036 4.015 . 0 0 "[ . 1 . 2]" 1
735 1 26 ALA HA 1 27 PRO HG2 5.500 . 6.000 4.732 4.386 4.963 . 0 0 "[ . 1 . 2]" 1
736 1 31 ARG HA 1 38 LEU MD2 5.500 . 7.000 5.528 4.423 5.885 . 0 0 "[ . 1 . 2]" 1
737 1 38 LEU HA 1 38 LEU MD2 4.850 . 6.350 3.496 2.567 3.874 . 0 0 "[ . 1 . 2]" 1
738 1 75 GLU HA 1 78 LEU HG 5.340 . 5.840 3.726 2.756 5.218 . 0 0 "[ . 1 . 2]" 1
739 1 38 LEU MD2 1 92 MET HG2 5.500 . 7.000 4.402 3.457 5.637 . 0 0 "[ . 1 . 2]" 1
740 1 38 LEU MD1 1 92 MET HG2 5.500 . 7.000 4.492 2.976 5.556 . 0 0 "[ . 1 . 2]" 1
741 1 34 LEU HA 1 34 LEU MD2 5.450 . 6.950 3.753 2.913 4.119 . 0 0 "[ . 1 . 2]" 1
742 1 92 MET HA 1 95 LYS HG3 5.500 . 6.000 2.547 2.173 4.332 . 0 0 "[ . 1 . 2]" 1
743 1 45 LEU HA 1 78 LEU MD1 5.500 . 7.000 4.495 2.474 5.770 . 0 0 "[ . 1 . 2]" 1
744 1 45 LEU HA 1 78 LEU MD2 5.500 . 7.000 4.355 2.747 5.599 . 0 0 "[ . 1 . 2]" 1
745 1 58 ARG HA 1 61 LEU HG 5.100 . 5.600 4.600 3.281 5.615 0.015 5 0 "[ . 1 . 2]" 1
746 1 46 PRO HD3 1 78 LEU MD1 5.500 . 7.000 4.910 2.295 5.901 . 0 0 "[ . 1 . 2]" 1
747 1 46 PRO HD3 1 78 LEU MD2 5.500 . 7.000 4.932 3.700 5.720 . 0 0 "[ . 1 . 2]" 1
748 1 33 PRO HG2 1 49 THR MG 5.500 . 7.000 2.934 2.469 3.735 . 0 0 "[ . 1 . 2]" 1
749 1 33 PRO HG3 1 49 THR MG 5.500 . 7.000 3.233 2.556 4.163 . 0 0 "[ . 1 . 2]" 1
750 1 49 THR MG 1 50 ILE HB 5.500 . 7.000 4.142 3.561 5.345 . 0 0 "[ . 1 . 2]" 1
751 1 34 LEU MD1 1 55 ILE MG 4.630 . 7.130 3.848 1.904 4.962 . 0 0 "[ . 1 . 2]" 1
752 1 40 THR HA 1 40 THR MG 4.170 . 5.670 2.711 2.261 3.179 . 0 0 "[ . 1 . 2]" 1
753 1 84 LEU HA 1 84 LEU MD1 5.500 . 7.000 2.469 1.951 4.126 0.049 19 0 "[ . 1 . 2]" 1
754 1 72 THR MG 1 74 THR HA 5.500 . 7.000 4.863 3.926 5.721 . 0 0 "[ . 1 . 2]" 1
755 1 72 THR MG 1 73 LEU HA 5.500 . 7.000 4.694 2.662 5.508 . 0 0 "[ . 1 . 2]" 1
756 1 65 THR HA 1 72 THR MG 5.500 . 7.000 4.131 3.536 4.596 . 0 0 "[ . 1 . 2]" 1
757 1 53 ARG HA 1 56 ILE MG 5.040 . 6.540 3.658 3.434 3.817 . 0 0 "[ . 1 . 2]" 1
758 1 56 ILE MG 1 74 THR HA 5.300 . 6.800 5.636 5.236 5.746 . 0 0 "[ . 1 . 2]" 1
759 1 65 THR MG 1 72 THR HA 5.500 . 7.000 3.400 2.403 5.575 . 0 0 "[ . 1 . 2]" 1
760 1 43 VAL MG1 1 80 PRO HA 4.760 . 6.260 2.238 2.058 2.574 . 0 0 "[ . 1 . 2]" 1
761 1 43 VAL MG1 1 53 ARG HA 5.500 . 7.000 3.932 3.461 4.336 . 0 0 "[ . 1 . 2]" 1
762 1 43 VAL MG1 1 53 ARG HD2 5.500 . 7.000 5.027 4.423 5.705 . 0 0 "[ . 1 . 2]" 1
763 1 43 VAL MG1 1 53 ARG HD3 5.500 . 7.000 4.718 3.900 5.365 . 0 0 "[ . 1 . 2]" 1
764 1 43 VAL MG1 1 80 PRO HB2 5.500 . 7.000 3.801 3.443 4.272 . 0 0 "[ . 1 . 2]" 1
765 1 51 MET ME 1 55 ILE MG 5.500 . 8.000 5.372 5.105 5.562 . 0 0 "[ . 1 . 2]" 1
766 1 51 MET ME 1 56 ILE MD 4.230 . 6.730 2.870 1.998 3.670 0.002 18 0 "[ . 1 . 2]" 1
767 1 46 PRO HD2 1 51 MET ME 5.500 . 7.000 5.702 5.463 5.867 . 0 0 "[ . 1 . 2]" 1
768 1 51 MET ME 1 66 ASP HA 5.150 . 6.650 4.752 3.847 5.433 . 0 0 "[ . 1 . 2]" 1
769 1 35 MET ME 1 55 ILE MD 4.770 . 7.270 3.021 2.040 4.559 . 0 0 "[ . 1 . 2]" 1
770 1 35 MET ME 1 55 ILE MG 5.330 . 7.830 2.870 1.791 3.691 . 0 0 "[ . 1 . 2]" 1
771 1 35 MET ME 1 37 THR MG 5.500 . 8.000 4.315 2.441 5.474 . 0 0 "[ . 1 . 2]" 1
772 1 35 MET ME 1 56 ILE MD 5.500 . 8.000 5.303 4.636 5.431 . 0 0 "[ . 1 . 2]" 1
773 1 34 LEU HG 1 35 MET ME 5.500 . 7.000 3.575 2.068 5.043 . 0 0 "[ . 1 . 2]" 1
774 1 35 MET HB3 1 35 MET ME 5.320 . 6.820 3.053 1.895 4.233 0.105 17 0 "[ . 1 . 2]" 1
775 1 35 MET HB2 1 35 MET ME 5.320 . 6.820 2.931 1.912 4.192 0.088 9 0 "[ . 1 . 2]" 1
776 1 35 MET HA 1 35 MET ME 5.370 . 6.870 3.858 2.119 5.161 . 0 0 "[ . 1 . 2]" 1
777 1 39 MET ME 1 88 ILE MD 4.320 . 6.820 2.972 2.408 3.649 . 0 0 "[ . 1 . 2]" 1
778 1 38 LEU HG 1 39 MET ME 5.500 . 7.000 4.584 3.506 5.772 . 0 0 "[ . 1 . 2]" 1
779 1 92 MET HB2 1 92 MET ME 5.140 . 6.640 2.693 2.090 3.948 . 0 0 "[ . 1 . 2]" 1
780 1 39 MET ME 1 39 MET HG2 4.560 . 6.060 3.308 3.193 3.342 . 0 0 "[ . 1 . 2]" 1
781 1 39 MET HA 1 39 MET ME 5.500 . 7.000 3.990 3.641 4.311 . 0 0 "[ . 1 . 2]" 1
782 1 30 PHE HA 1 39 MET ME 4.950 . 6.450 2.676 2.291 3.027 . 0 0 "[ . 1 . 2]" 1
783 1 32 ASP HA 1 39 MET ME 5.500 . 7.000 2.988 2.615 3.875 . 0 0 "[ . 1 . 2]" 1
784 1 23 TYR HD1 1 92 MET ME 5.500 . 8.000 4.494 2.735 6.510 . 0 0 "[ . 1 . 2]" 1
785 1 92 MET HA 1 92 MET ME 5.360 . 6.860 4.390 3.385 5.160 . 0 0 "[ . 1 . 2]" 1
786 1 87 GLN HA 1 90 ALA MB 4.340 . 5.840 2.358 2.118 2.689 . 0 0 "[ . 1 . 2]" 1
787 1 34 LEU MD2 1 55 ILE MG 4.630 . 7.130 2.688 1.739 4.643 0.261 12 0 "[ . 1 . 2]" 1
788 1 34 LEU HG 1 55 ILE MG 5.500 . 7.000 3.606 2.594 4.389 . 0 0 "[ . 1 . 2]" 1
789 1 26 ALA MB 1 27 PRO HB3 5.500 . 7.000 5.016 4.818 5.254 . 0 0 "[ . 1 . 2]" 1
790 1 26 ALA MB 1 39 MET ME 5.500 . 8.000 5.250 4.686 5.522 . 0 0 "[ . 1 . 2]" 1
791 1 35 MET HB3 1 55 ILE MG 4.910 . 6.410 4.239 2.879 5.205 . 0 0 "[ . 1 . 2]" 1
792 1 35 MET HB2 1 55 ILE MG 4.910 . 6.410 4.076 2.290 5.210 . 0 0 "[ . 1 . 2]" 1
793 1 26 ALA MB 1 30 PHE HB2 5.400 . 6.900 2.415 1.917 3.490 0.083 18 0 "[ . 1 . 2]" 1
794 1 26 ALA MB 1 38 LEU HA 5.500 . 7.000 4.328 3.591 5.161 . 0 0 "[ . 1 . 2]" 1
795 1 26 ALA MB 1 31 ARG HA 5.500 . 7.000 4.856 4.062 5.569 . 0 0 "[ . 1 . 2]" 1
796 1 23 TYR HD1 1 26 ALA MB 5.500 . 8.000 5.677 4.336 7.707 . 0 0 "[ . 1 . 2]" 1
797 1 26 ALA MB 1 91 TRP HZ2 5.050 . 6.550 3.436 2.859 4.160 . 0 0 "[ . 1 . 2]" 1
798 1 38 LEU HG 1 88 ILE MG 5.500 . 7.000 3.448 2.419 4.941 . 0 0 "[ . 1 . 2]" 1
799 1 88 ILE MG 1 92 MET HB3 5.280 . 6.780 3.355 2.887 3.685 . 0 0 "[ . 1 . 2]" 1
800 1 42 PRO HD3 1 88 ILE MG 5.500 . 7.000 4.962 4.301 5.614 . 0 0 "[ . 1 . 2]" 1
801 1 40 THR HA 1 88 ILE MG 5.500 . 7.000 4.722 3.713 5.539 . 0 0 "[ . 1 . 2]" 1
802 1 43 VAL MG2 1 56 ILE MG 5.140 . 7.640 4.252 3.976 4.546 . 0 0 "[ . 1 . 2]" 1
803 1 43 VAL MG2 1 52 ASP HA 5.500 . 7.000 3.314 2.770 3.816 . 0 0 "[ . 1 . 2]" 1
804 1 43 VAL MG2 1 44 ARG HA 5.500 . 7.000 4.205 3.930 4.523 . 0 0 "[ . 1 . 2]" 1
805 1 50 ILE MD 1 50 ILE MG 3.950 . 6.450 2.028 1.699 3.230 0.301 18 0 "[ . 1 . 2]" 1
806 1 44 ARG HB3 1 50 ILE MG 5.500 . 7.000 5.669 5.431 5.860 . 0 0 "[ . 1 . 2]" 1
807 1 42 PRO HB2 1 50 ILE MG 4.870 . 6.370 3.083 2.121 3.833 . 0 0 "[ . 1 . 2]" 1
808 1 44 ARG HA 1 50 ILE MG 5.070 . 6.570 3.865 3.422 4.293 . 0 0 "[ . 1 . 2]" 1
809 1 21 ILE MG 1 92 MET HB2 5.500 . 7.000 5.522 5.084 5.766 . 0 0 "[ . 1 . 2]" 1
810 1 21 ILE MG 1 92 MET ME 5.500 . 8.000 4.839 4.143 5.394 . 0 0 "[ . 1 . 2]" 1
811 1 21 ILE MG 1 96 GLN HB2 5.500 . 7.000 4.752 3.559 5.739 . 0 0 "[ . 1 . 2]" 1
812 1 21 ILE MG 1 96 GLN HB3 5.500 . 7.000 4.033 2.519 5.753 . 0 0 "[ . 1 . 2]" 1
813 1 56 ILE MD 1 73 LEU HG 5.340 . 6.840 3.635 2.534 4.411 . 0 0 "[ . 1 . 2]" 1
814 1 56 ILE MD 1 59 HIS HB3 5.500 . 7.000 3.114 2.877 3.360 . 0 0 "[ . 1 . 2]" 1
815 1 56 ILE HA 1 56 ILE MD 4.540 . 6.040 1.951 1.890 2.039 0.110 19 0 "[ . 1 . 2]" 1
816 1 56 ILE MD 1 68 PHE QD 5.500 . 8.000 5.608 4.400 6.423 . 0 0 "[ . 1 . 2]" 1
817 1 42 PRO HB2 1 50 ILE MD 5.500 . 7.000 4.090 3.059 5.851 . 0 0 "[ . 1 . 2]" 1
818 1 50 ILE MD 1 51 MET ME 5.500 . 8.000 5.352 4.770 5.523 . 0 0 "[ . 1 . 2]" 1
819 1 44 ARG HD2 1 50 ILE MD 5.500 . 7.000 4.752 3.659 5.710 . 0 0 "[ . 1 . 2]" 1
820 1 44 ARG HD3 1 50 ILE MD 5.500 . 7.000 3.964 2.175 5.496 . 0 0 "[ . 1 . 2]" 1
821 1 44 ARG HA 1 50 ILE MD 5.500 . 7.000 3.062 1.944 4.709 0.056 11 0 "[ . 1 . 2]" 1
822 1 50 ILE HA 1 50 ILE MD 5.500 . 7.000 2.823 1.950 3.831 0.050 19 0 "[ . 1 . 2]" 1
823 1 88 ILE MD 1 88 ILE MG 4.520 . 7.020 1.904 1.605 2.670 0.395 5 0 "[ . 1 . 2]" 1
824 1 42 PRO HG3 1 88 ILE MD 5.420 . 6.920 2.535 2.084 3.128 . 0 0 "[ . 1 . 2]" 1
825 1 39 MET HB2 1 88 ILE MD 5.500 . 7.000 3.225 2.783 3.546 . 0 0 "[ . 1 . 2]" 1
826 1 42 PRO HG2 1 88 ILE MD 5.420 . 6.920 3.202 2.218 4.258 . 0 0 "[ . 1 . 2]" 1
827 1 39 MET HG2 1 88 ILE MD 5.500 . 7.000 5.651 5.125 5.908 . 0 0 "[ . 1 . 2]" 1
828 1 85 LYS HA 1 88 ILE MD 5.450 . 6.950 2.581 2.095 3.310 . 0 0 "[ . 1 . 2]" 1
829 1 55 ILE HA 1 55 ILE MD 5.500 . 7.000 2.006 1.916 2.172 0.084 12 0 "[ . 1 . 2]" 1
830 1 12 ILE HA 1 12 ILE MD 5.500 . 7.000 3.378 2.119 4.125 . 0 0 "[ . 1 . 2]" 1
831 1 21 ILE MD 1 96 GLN HA 5.460 . 6.960 5.007 3.110 5.706 . 0 0 "[ . 1 . 2]" 1
832 1 21 ILE HA 1 21 ILE MD 5.390 . 6.890 3.517 2.153 3.910 . 0 0 "[ . 1 . 2]" 1
833 1 21 ILE MD 1 92 MET ME 5.500 . 8.000 4.951 3.419 5.459 . 0 0 "[ . 1 . 2]" 1
834 1 21 ILE MD 1 21 ILE MG 4.790 . 7.290 2.010 1.681 3.193 0.319 13 0 "[ . 1 . 2]" 1
835 1 49 THR MG 1 51 MET ME 5.500 . 8.000 3.027 2.033 4.115 . 0 0 "[ . 1 . 2]" 1
836 1 84 LEU HA 1 87 GLN HG2 5.500 . 6.000 4.984 2.446 5.986 . 0 0 "[ . 1 . 2]" 1
837 1 84 LEU HA 1 87 GLN HG3 5.500 . 6.000 4.587 2.831 5.515 . 0 0 "[ . 1 . 2]" 1
838 1 41 ASP HA 1 85 LYS HD2 5.500 . 6.000 4.212 2.777 5.697 . 0 0 "[ . 1 . 2]" 1
839 1 41 ASP HA 1 85 LYS HD3 5.500 . 6.000 4.671 2.462 5.949 . 0 0 "[ . 1 . 2]" 1
840 1 73 LEU HB2 1 74 THR MG 5.500 . 7.000 5.310 5.004 5.542 . 0 0 "[ . 1 . 2]" 1
841 1 73 LEU HB3 1 74 THR MG 5.500 . 7.000 5.028 4.647 5.465 . 0 0 "[ . 1 . 2]" 1
842 1 32 ASP HB2 1 55 ILE MD 5.500 . 7.000 5.590 5.068 5.961 . 0 0 "[ . 1 . 2]" 1
843 1 32 ASP HB3 1 55 ILE MD 5.500 . 7.000 5.362 4.669 5.750 . 0 0 "[ . 1 . 2]" 1
844 1 59 HIS HA 1 60 LEU HA 5.500 . 6.000 4.777 4.711 4.911 . 0 0 "[ . 1 . 2]" 1
845 1 56 ILE HA 1 59 HIS HA 5.500 . 6.000 4.603 4.390 4.785 . 0 0 "[ . 1 . 2]" 1
846 1 39 MET HB2 1 52 ASP HA 5.500 . 6.000 4.874 4.062 5.759 . 0 0 "[ . 1 . 2]" 1
847 1 39 MET HB3 1 52 ASP HA 5.500 . 6.000 3.231 2.396 4.352 . 0 0 "[ . 1 . 2]" 1
848 1 39 MET HB3 1 88 ILE MD 5.500 . 7.000 4.320 3.692 4.884 . 0 0 "[ . 1 . 2]" 1
849 1 23 TYR HA 1 23 TYR HD1 5.500 . 7.000 3.821 2.404 4.269 . 0 0 "[ . 1 . 2]" 1
850 1 23 TYR HA 1 91 TRP HE3 5.500 . 7.000 6.605 6.048 7.124 0.124 11 0 "[ . 1 . 2]" 1
851 1 95 LYS HA 1 95 LYS HD3 5.500 . 6.000 4.586 2.166 5.478 . 0 0 "[ . 1 . 2]" 1
852 1 66 ASP HA 1 67 PRO HG2 5.500 . 6.000 4.537 4.368 4.687 . 0 0 "[ . 1 . 2]" 1
853 1 67 PRO HG2 1 68 PHE HA 5.500 . 6.000 4.454 4.234 4.546 . 0 0 "[ . 1 . 2]" 1
854 1 53 ARG HD3 1 57 LEU HG 5.500 . 6.000 4.861 2.759 6.020 0.020 11 0 "[ . 1 . 2]" 1
855 1 53 ARG HD2 1 57 LEU HG 5.500 . 6.000 4.819 3.780 6.021 0.021 19 0 "[ . 1 . 2]" 1
856 1 49 THR HB 1 51 MET ME 5.500 . 7.000 2.476 1.977 3.346 0.023 16 0 "[ . 1 . 2]" 1
857 1 15 LYS H 1 15 LYS QG 5.500 . 7.000 3.107 1.835 4.194 0.165 20 0 "[ . 1 . 2]" 1
858 1 15 LYS H 1 15 LYS QE 5.500 . 7.000 4.932 3.209 6.285 . 0 0 "[ . 1 . 2]" 1
859 1 20 GLU QB 1 21 ILE MD 5.500 . 8.000 4.889 2.543 5.820 . 0 0 "[ . 1 . 2]" 1
860 1 20 GLU QG 1 21 ILE H 4.450 . 5.950 3.419 1.862 4.299 0.138 13 0 "[ . 1 . 2]" 1
861 1 20 GLU QG 1 21 ILE HB 5.500 . 7.000 5.329 2.871 6.171 . 0 0 "[ . 1 . 2]" 1
862 1 20 GLU QG 1 24 SER HA 5.500 . 7.000 5.142 3.645 6.227 . 0 0 "[ . 1 . 2]" 1
863 1 21 ILE HA 1 22 ASP QB 5.500 . 7.000 4.467 3.744 5.587 . 0 0 "[ . 1 . 2]" 1
864 1 21 ILE MG 1 22 ASP QB 5.500 . 8.000 3.285 2.214 4.423 . 0 0 "[ . 1 . 2]" 1
865 1 21 ILE MG 1 38 LEU QD 5.500 . 10.500 5.624 4.236 6.415 . 0 0 "[ . 1 . 2]" 1
866 1 21 ILE MG 1 95 LYS QE 5.500 . 8.000 4.747 3.609 5.750 . 0 0 "[ . 1 . 2]" 1
867 1 21 ILE MG 1 96 GLN QG 5.500 . 8.000 4.122 2.969 5.413 . 0 0 "[ . 1 . 2]" 1
868 1 21 ILE MG 1 96 GLN QE 5.500 . 8.000 4.597 2.876 5.830 . 0 0 "[ . 1 . 2]" 1
869 1 21 ILE QG 1 22 ASP H 5.500 . 7.000 3.729 1.741 4.549 0.259 16 0 "[ . 1 . 2]" 1
870 1 21 ILE MD 1 96 GLN QG 5.500 . 8.000 4.586 3.348 5.809 . 0 0 "[ . 1 . 2]" 1
871 1 21 ILE MD 1 96 GLN QE 5.500 . 8.000 4.333 3.003 5.288 . 0 0 "[ . 1 . 2]" 1
872 1 22 ASP QB 1 23 TYR HA 5.500 . 7.000 4.377 3.615 5.139 . 0 0 "[ . 1 . 2]" 1
873 1 23 TYR HA 1 38 LEU QD 4.640 . 8.640 4.952 4.058 5.948 . 0 0 "[ . 1 . 2]" 1
874 1 23 TYR HA 1 95 LYS QD 5.500 . 7.000 4.627 3.151 5.988 . 0 0 "[ . 1 . 2]" 1
875 1 23 TYR HA 1 95 LYS QE 5.250 . 6.750 2.980 2.116 4.208 . 0 0 "[ . 1 . 2]" 1
876 1 23 TYR QB 1 26 ALA H 5.500 . 7.000 5.007 4.224 6.040 . 0 0 "[ . 1 . 2]" 1
877 1 23 TYR QB 1 26 ALA HA 5.500 . 7.000 4.649 4.251 5.265 . 0 0 "[ . 1 . 2]" 1
878 1 23 TYR QB 1 26 ALA MB 5.500 . 8.000 4.256 3.565 5.046 . 0 0 "[ . 1 . 2]" 1
879 1 23 TYR QB 1 38 LEU QD 4.510 . 9.510 3.639 2.224 4.825 . 0 0 "[ . 1 . 2]" 1
880 1 23 TYR QB 1 91 TRP HZ3 5.500 . 7.000 3.066 2.262 4.216 . 0 0 "[ . 1 . 2]" 1
881 1 23 TYR QB 1 91 TRP HZ2 4.450 . 5.950 3.220 2.397 3.788 . 0 0 "[ . 1 . 2]" 1
882 1 23 TYR QB 1 91 TRP HH2 4.770 . 6.270 2.242 2.070 2.795 . 0 0 "[ . 1 . 2]" 1
883 1 23 TYR HD1 1 38 LEU QB 5.500 . 8.000 5.765 3.372 8.563 0.563 3 1 "[ + . 1 . 2]" 1
884 1 23 TYR HD1 1 38 LEU QD 5.470 . 10.470 4.004 2.338 5.941 . 0 0 "[ . 1 . 2]" 1
885 1 23 TYR HD1 1 95 LYS QB 5.500 . 8.000 4.973 2.204 7.010 . 0 0 "[ . 1 . 2]" 1
886 1 23 TYR HD1 1 95 LYS QG 5.140 . 7.640 4.902 2.506 6.760 . 0 0 "[ . 1 . 2]" 1
887 1 23 TYR QE 1 95 LYS QB 4.360 . 6.860 4.232 2.743 5.847 . 0 0 "[ . 1 . 2]" 1
888 1 23 TYR QE 1 95 LYS QG 5.310 . 7.810 4.835 3.888 6.173 . 0 0 "[ . 1 . 2]" 1
889 1 23 TYR QE 1 95 LYS QD 5.500 . 8.000 5.772 3.546 6.770 . 0 0 "[ . 1 . 2]" 1
890 1 23 TYR QE 1 96 GLN QG 5.500 . 8.000 2.852 2.035 4.863 . 0 0 "[ . 1 . 2]" 1
891 1 23 TYR QE 1 96 GLN QE 5.500 . 8.000 3.732 2.321 5.145 . 0 0 "[ . 1 . 2]" 1
892 1 24 SER HA 1 38 LEU QB 4.610 . 6.110 4.513 2.196 5.558 . 0 0 "[ . 1 . 2]" 1
893 1 24 SER QB 1 26 ALA H 5.370 . 6.870 5.716 4.077 6.136 . 0 0 "[ . 1 . 2]" 1
894 1 25 ASP HA 1 38 LEU QB 5.500 . 7.000 4.402 2.434 5.945 . 0 0 "[ . 1 . 2]" 1
895 1 25 ASP HA 1 38 LEU QD 5.500 . 9.500 4.252 2.893 5.619 . 0 0 "[ . 1 . 2]" 1
896 1 25 ASP QB 1 26 ALA HA 5.500 . 7.000 4.546 3.930 5.002 . 0 0 "[ . 1 . 2]" 1
897 1 25 ASP QB 1 26 ALA MB 5.500 . 8.000 4.584 3.896 5.053 . 0 0 "[ . 1 . 2]" 1
898 1 26 ALA H 1 27 PRO QD 5.500 . 7.000 4.222 3.921 4.379 . 0 0 "[ . 1 . 2]" 1
899 1 26 ALA H 1 31 ARG QB 5.500 . 7.000 5.389 3.733 6.290 . 0 0 "[ . 1 . 2]" 1
900 1 26 ALA H 1 38 LEU QB 5.500 . 7.000 4.868 2.764 5.958 . 0 0 "[ . 1 . 2]" 1
901 1 26 ALA H 1 38 LEU QD 5.500 . 9.500 3.927 2.890 5.150 . 0 0 "[ . 1 . 2]" 1
902 1 26 ALA HA 1 27 PRO QG 4.760 . 6.260 4.029 3.851 4.175 . 0 0 "[ . 1 . 2]" 1
903 1 26 ALA MB 1 38 LEU QD 4.510 . 9.510 2.581 1.946 3.378 . 0 0 "[ . 1 . 2]" 1
904 1 27 PRO HB2 1 29 GLU QG 5.500 . 7.000 3.991 2.334 5.667 . 0 0 "[ . 1 . 2]" 1
905 1 27 PRO QG 1 29 GLU H 5.500 . 7.000 4.803 3.424 6.017 . 0 0 "[ . 1 . 2]" 1
906 1 27 PRO QG 1 30 PHE H 5.500 . 7.000 4.924 3.451 5.869 . 0 0 "[ . 1 . 2]" 1
907 1 27 PRO QG 1 30 PHE HD2 5.500 . 8.000 4.866 3.773 6.168 . 0 0 "[ . 1 . 2]" 1
908 1 27 PRO QG 1 30 PHE HE2 4.820 . 7.320 3.932 2.836 5.540 . 0 0 "[ . 1 . 2]" 1
909 1 27 PRO QG 1 30 PHE HZ 5.190 . 6.690 4.015 3.185 4.684 . 0 0 "[ . 1 . 2]" 1
910 1 27 PRO QD 1 29 GLU H 5.500 . 7.000 4.361 2.954 5.103 . 0 0 "[ . 1 . 2]" 1
911 1 27 PRO QD 1 30 PHE H 5.500 . 7.000 4.088 2.698 5.262 . 0 0 "[ . 1 . 2]" 1
912 1 27 PRO QD 1 30 PHE HD2 4.420 . 6.920 3.460 2.270 4.957 . 0 0 "[ . 1 . 2]" 1
913 1 27 PRO QD 1 30 PHE HE2 4.940 . 7.440 3.420 2.523 4.962 . 0 0 "[ . 1 . 2]" 1
914 1 27 PRO QD 1 30 PHE HZ 5.500 . 7.000 4.455 3.334 5.233 . 0 0 "[ . 1 . 2]" 1
915 1 27 PRO QD 1 38 LEU QD 5.500 . 10.500 4.824 4.168 5.836 . 0 0 "[ . 1 . 2]" 1
916 1 27 PRO QD 1 87 GLN QE 5.500 . 8.000 5.088 4.222 5.770 . 0 0 "[ . 1 . 2]" 1
917 1 27 PRO QD 1 91 TRP HD1 5.490 . 7.990 4.561 3.892 5.239 . 0 0 "[ . 1 . 2]" 1
918 1 27 PRO QD 1 91 TRP HE1 4.650 . 7.150 3.350 2.406 4.323 . 0 0 "[ . 1 . 2]" 1
919 1 27 PRO QD 1 91 TRP HH2 5.230 . 6.730 4.229 3.758 4.959 . 0 0 "[ . 1 . 2]" 1
920 1 28 ASP HA 1 31 ARG QD 5.050 . 6.550 3.142 2.125 4.797 . 0 0 "[ . 1 . 2]" 1
921 1 28 ASP QB 1 30 PHE H 5.500 . 7.000 5.672 4.765 6.189 . 0 0 "[ . 1 . 2]" 1
922 1 28 ASP QB 1 31 ARG QD 5.500 . 8.000 4.620 3.442 6.293 . 0 0 "[ . 1 . 2]" 1
923 1 29 GLU H 1 30 PHE QB 4.980 . 6.480 4.289 3.355 4.804 . 0 0 "[ . 1 . 2]" 1
924 1 29 GLU QB 1 30 PHE HD2 5.320 . 7.820 5.056 3.692 6.253 . 0 0 "[ . 1 . 2]" 1
925 1 29 GLU QB 1 30 PHE HE2 5.500 . 8.000 5.092 3.569 6.462 . 0 0 "[ . 1 . 2]" 1
926 1 29 GLU QG 1 30 PHE H 4.620 . 6.120 3.941 1.973 4.537 0.027 11 0 "[ . 1 . 2]" 1
927 1 29 GLU QG 1 30 PHE HD2 5.500 . 8.000 6.472 4.073 7.164 . 0 0 "[ . 1 . 2]" 1
928 1 29 GLU QG 1 30 PHE HZ 5.500 . 7.000 5.040 3.520 5.974 . 0 0 "[ . 1 . 2]" 1
929 1 30 PHE H 1 31 ARG QB 5.010 . 6.510 4.361 3.916 5.375 . 0 0 "[ . 1 . 2]" 1
930 1 30 PHE H 1 31 ARG QG 4.690 . 6.190 4.389 2.511 5.595 . 0 0 "[ . 1 . 2]" 1
931 1 30 PHE HA 1 38 LEU QD 5.500 . 9.500 4.686 3.871 6.637 . 0 0 "[ . 1 . 2]" 1
932 1 30 PHE HA 1 84 LEU QD 5.500 . 9.500 3.280 2.539 4.504 . 0 0 "[ . 1 . 2]" 1
933 1 30 PHE QB 1 38 LEU QD 5.230 . 10.230 2.646 1.999 4.503 0.001 1 0 "[ . 1 . 2]" 1
934 1 30 PHE QB 1 84 LEU QD 5.280 . 10.280 3.977 2.539 5.334 . 0 0 "[ . 1 . 2]" 1
935 1 30 PHE QB 1 88 ILE QG 5.180 . 7.680 2.301 1.834 3.110 0.166 15 0 "[ . 1 . 2]" 1
936 1 30 PHE QB 1 88 ILE MD 5.500 . 8.000 2.622 2.056 3.776 . 0 0 "[ . 1 . 2]" 1
937 1 30 PHE QB 1 91 TRP HH2 5.500 . 7.000 5.254 4.232 5.955 . 0 0 "[ . 1 . 2]" 1
938 1 30 PHE HD2 1 38 LEU QD 4.790 . 9.790 3.315 2.682 4.911 . 0 0 "[ . 1 . 2]" 1
939 1 30 PHE HD2 1 88 ILE QG 4.980 . 7.480 3.307 2.157 4.106 . 0 0 "[ . 1 . 2]" 1
940 1 30 PHE HE2 1 38 LEU QD 5.500 . 10.500 5.085 4.584 6.361 . 0 0 "[ . 1 . 2]" 1
941 1 30 PHE HE2 1 87 GLN QB 5.500 . 8.000 4.962 3.486 6.187 . 0 0 "[ . 1 . 2]" 1
942 1 30 PHE HE2 1 87 GLN QG 5.500 . 8.000 4.817 3.107 6.213 . 0 0 "[ . 1 . 2]" 1
943 1 30 PHE HE2 1 87 GLN QE 5.500 . 8.000 2.926 1.799 4.493 0.201 13 0 "[ . 1 . 2]" 1
944 1 30 PHE HE2 1 88 ILE QG 5.500 . 8.000 4.376 3.400 5.039 . 0 0 "[ . 1 . 2]" 1
945 1 30 PHE HZ 1 87 GLN QB 4.880 . 6.380 3.948 2.217 5.050 . 0 0 "[ . 1 . 2]" 1
946 1 30 PHE HZ 1 87 GLN QG 4.970 . 6.470 3.547 2.263 4.814 . 0 0 "[ . 1 . 2]" 1
947 1 30 PHE HZ 1 88 ILE QG 5.500 . 7.000 4.822 3.945 5.678 . 0 0 "[ . 1 . 2]" 1
948 1 31 ARG QB 1 36 ASP H 5.460 . 6.960 4.568 3.182 5.899 . 0 0 "[ . 1 . 2]" 1
949 1 31 ARG QB 1 36 ASP HA 5.500 . 7.000 3.271 2.159 6.206 . 0 0 "[ . 1 . 2]" 1
950 1 31 ARG QB 1 37 THR H 5.500 . 7.000 3.706 1.967 4.835 0.033 17 0 "[ . 1 . 2]" 1
951 1 31 ARG QB 1 37 THR HA 5.500 . 7.000 3.687 2.120 5.401 . 0 0 "[ . 1 . 2]" 1
952 1 31 ARG QG 1 32 ASP H 5.050 . 6.550 3.579 2.866 4.749 . 0 0 "[ . 1 . 2]" 1
953 1 31 ARG QG 1 36 ASP H 5.500 . 7.000 5.105 3.927 6.230 . 0 0 "[ . 1 . 2]" 1
954 1 31 ARG QG 1 37 THR H 5.500 . 7.000 4.317 3.149 5.526 . 0 0 "[ . 1 . 2]" 1
955 1 32 ASP HA 1 33 PRO QG 5.160 . 6.660 3.921 3.896 3.945 . 0 0 "[ . 1 . 2]" 1
956 1 32 ASP QB 1 33 PRO HD2 5.500 . 7.000 3.420 2.822 3.903 . 0 0 "[ . 1 . 2]" 1
957 1 32 ASP QB 1 34 LEU H 4.480 . 5.980 3.404 2.557 4.830 . 0 0 "[ . 1 . 2]" 1
958 1 32 ASP QB 1 37 THR H 3.910 . 5.410 2.741 1.870 3.974 0.130 13 0 "[ . 1 . 2]" 1
959 1 32 ASP QB 1 39 MET H 5.110 . 6.610 4.428 3.642 5.172 . 0 0 "[ . 1 . 2]" 1
960 1 32 ASP QB 1 39 MET HA 5.500 . 7.000 4.026 3.577 4.383 . 0 0 "[ . 1 . 2]" 1
961 1 32 ASP QB 1 39 MET HG3 5.500 . 7.000 2.515 2.132 3.306 . 0 0 "[ . 1 . 2]" 1
962 1 33 PRO QB 1 34 LEU QD 5.500 . 10.500 4.463 2.632 5.137 . 0 0 "[ . 1 . 2]" 1
963 1 33 PRO QB 1 36 ASP H 5.500 . 7.000 5.650 4.944 6.426 . 0 0 "[ . 1 . 2]" 1
964 1 33 PRO QB 1 49 THR MG 5.190 . 7.690 3.532 2.961 3.984 . 0 0 "[ . 1 . 2]" 1
965 1 33 PRO QB 1 68 PHE QD 5.500 . 8.000 4.037 2.792 5.134 . 0 0 "[ . 1 . 2]" 1
966 1 33 PRO QB 1 68 PHE QE 4.650 . 7.150 2.886 2.165 4.438 . 0 0 "[ . 1 . 2]" 1
967 1 33 PRO QB 1 68 PHE HZ 4.230 . 5.730 3.249 2.318 4.859 . 0 0 "[ . 1 . 2]" 1
968 1 33 PRO QG 1 34 LEU HA 5.500 . 7.000 5.339 4.382 5.910 . 0 0 "[ . 1 . 2]" 1
969 1 33 PRO QG 1 49 THR MG 5.020 . 7.520 2.657 2.390 3.163 . 0 0 "[ . 1 . 2]" 1
970 1 33 PRO QG 1 50 ILE H 5.500 . 7.000 3.417 2.642 4.646 . 0 0 "[ . 1 . 2]" 1
971 1 33 PRO HD3 1 51 MET QB 5.500 . 7.000 4.495 3.472 5.484 . 0 0 "[ . 1 . 2]" 1
972 1 34 LEU H 1 35 MET QB 5.500 . 7.000 4.591 3.878 5.490 . 0 0 "[ . 1 . 2]" 1
973 1 34 LEU HA 1 34 LEU QD 4.100 . 8.100 2.342 1.938 3.395 0.062 19 0 "[ . 1 . 2]" 1
974 1 34 LEU QB 1 35 MET H 4.150 . 5.650 2.324 1.777 3.480 0.223 10 0 "[ . 1 . 2]" 1
975 1 34 LEU QB 1 36 ASP H 5.240 . 6.740 4.137 3.252 4.962 . 0 0 "[ . 1 . 2]" 1
976 1 34 LEU QB 1 68 PHE QE 4.710 . 7.210 2.319 1.978 3.792 0.022 15 0 "[ . 1 . 2]" 1
977 1 34 LEU QB 1 68 PHE HZ 4.030 . 5.530 3.092 2.160 4.199 . 0 0 "[ . 1 . 2]" 1
978 1 34 LEU QD 1 35 MET H 5.500 . 9.500 3.005 1.644 3.591 0.356 6 0 "[ . 1 . 2]" 1
979 1 34 LEU QD 1 35 MET HA 5.500 . 9.500 3.549 2.548 4.635 . 0 0 "[ . 1 . 2]" 1
980 1 34 LEU QD 1 35 MET QB 4.540 . 9.540 3.402 2.050 4.218 . 0 0 "[ . 1 . 2]" 1
981 1 34 LEU QD 1 35 MET ME 5.250 . 10.250 3.294 1.909 4.953 . 0 0 "[ . 1 . 2]" 1
982 1 34 LEU QD 1 51 MET ME 5.480 . 10.480 4.438 2.079 5.897 . 0 0 "[ . 1 . 2]" 1
983 1 34 LEU QD 1 55 ILE MG 3.900 . 8.900 2.324 1.709 3.001 . 0 0 "[ . 1 . 2]" 1
984 1 34 LEU QD 1 59 HIS QB 5.160 . 10.160 4.702 3.955 5.543 . 0 0 "[ . 1 . 2]" 1
985 1 34 LEU QD 1 59 HIS HD2 5.500 . 9.500 5.484 4.451 6.260 . 0 0 "[ . 1 . 2]" 1
986 1 34 LEU QD 1 59 HIS HE1 4.880 . 8.880 5.384 4.497 6.401 . 0 0 "[ . 1 . 2]" 1
987 1 34 LEU QD 1 68 PHE QD 5.140 . 10.140 3.964 2.539 4.970 . 0 0 "[ . 1 . 2]" 1
988 1 34 LEU QD 1 68 PHE QE 5.200 . 10.200 3.191 2.015 3.947 . 0 0 "[ . 1 . 2]" 1
989 1 34 LEU QD 1 68 PHE HZ 4.550 . 8.550 3.861 2.962 5.141 . 0 0 "[ . 1 . 2]" 1
990 1 35 MET HA 1 36 ASP QB 5.500 . 7.000 4.576 4.047 5.489 . 0 0 "[ . 1 . 2]" 1
991 1 35 MET QB 1 35 MET ME 4.500 . 7.000 2.481 1.800 3.521 0.200 9 0 "[ . 1 . 2]" 1
992 1 35 MET QB 1 36 ASP HA 5.500 . 7.000 4.811 4.209 5.397 . 0 0 "[ . 1 . 2]" 1
993 1 35 MET QB 1 37 THR H 4.830 . 6.330 3.216 1.928 4.667 0.072 9 0 "[ . 1 . 2]" 1
994 1 35 MET QB 1 37 THR MG 5.230 . 7.730 3.713 1.842 5.618 0.158 3 0 "[ . 1 . 2]" 1
995 1 35 MET QB 1 55 ILE MG 4.310 . 6.810 3.552 2.232 4.608 . 0 0 "[ . 1 . 2]" 1
996 1 35 MET QB 1 55 ILE HG12 5.500 . 7.000 4.809 3.595 6.438 . 0 0 "[ . 1 . 2]" 1
997 1 35 MET QB 1 55 ILE HG13 5.000 . 6.500 3.429 2.109 4.941 . 0 0 "[ . 1 . 2]" 1
998 1 35 MET QB 1 55 ILE MD 5.170 . 7.670 3.454 2.195 4.925 . 0 0 "[ . 1 . 2]" 1
999 1 35 MET QG 1 55 ILE HA 5.500 . 7.000 5.207 4.289 6.338 . 0 0 "[ . 1 . 2]" 1
1000 1 35 MET QG 1 55 ILE MG 5.500 . 8.000 3.026 1.886 4.308 0.114 3 0 "[ . 1 . 2]" 1
1001 1 35 MET QG 1 55 ILE MD 5.040 . 7.540 2.581 2.051 3.660 . 0 0 "[ . 1 . 2]" 1
1002 1 35 MET ME 1 36 ASP QB 5.500 . 8.000 5.481 4.294 5.918 . 0 0 "[ . 1 . 2]" 1
1003 1 36 ASP QB 1 37 THR HA 5.500 . 7.000 4.716 4.231 5.425 . 0 0 "[ . 1 . 2]" 1
1004 1 38 LEU QB 1 39 MET HA 5.500 . 7.000 4.824 4.432 5.198 . 0 0 "[ . 1 . 2]" 1
1005 1 38 LEU QB 1 39 MET ME 5.500 . 8.000 5.097 4.001 5.772 . 0 0 "[ . 1 . 2]" 1
1006 1 38 LEU QB 1 40 THR H 5.500 . 7.000 5.584 4.676 5.999 . 0 0 "[ . 1 . 2]" 1
1007 1 38 LEU QD 1 39 MET H 4.460 . 8.460 3.393 2.316 4.062 . 0 0 "[ . 1 . 2]" 1
1008 1 38 LEU QD 1 39 MET HA 5.500 . 9.500 4.481 3.650 5.209 . 0 0 "[ . 1 . 2]" 1
1009 1 38 LEU QD 1 39 MET ME 5.110 . 10.110 4.239 3.419 5.006 . 0 0 "[ . 1 . 2]" 1
1010 1 38 LEU QD 1 40 THR HA 5.500 . 9.500 3.804 2.678 4.845 . 0 0 "[ . 1 . 2]" 1
1011 1 38 LEU QD 1 88 ILE HA 5.500 . 9.500 4.206 3.541 5.282 . 0 0 "[ . 1 . 2]" 1
1012 1 38 LEU QD 1 89 GLN H 5.500 . 9.500 5.198 4.484 5.584 . 0 0 "[ . 1 . 2]" 1
1013 1 38 LEU QD 1 89 GLN HA 5.470 . 9.470 4.848 4.023 5.347 . 0 0 "[ . 1 . 2]" 1
1014 1 38 LEU QD 1 91 TRP H 5.500 . 9.500 6.583 5.919 6.962 . 0 0 "[ . 1 . 2]" 1
1015 1 38 LEU QD 1 91 TRP HE3 4.250 . 9.250 3.935 3.440 4.508 . 0 0 "[ . 1 . 2]" 1
1016 1 38 LEU QD 1 91 TRP HZ3 4.320 . 8.320 2.415 1.950 2.978 0.050 8 0 "[ . 1 . 2]" 1
1017 1 38 LEU QD 1 91 TRP HZ2 5.270 . 9.270 5.050 4.305 5.602 . 0 0 "[ . 1 . 2]" 1
1018 1 38 LEU QD 1 91 TRP HH2 5.010 . 9.010 3.218 2.457 3.863 . 0 0 "[ . 1 . 2]" 1
1019 1 38 LEU QD 1 92 MET H 5.500 . 9.500 5.127 4.385 5.708 . 0 0 "[ . 1 . 2]" 1
1020 1 38 LEU QD 1 92 MET HG3 5.500 . 9.500 4.937 3.814 5.379 . 0 0 "[ . 1 . 2]" 1
1021 1 39 MET QB 1 39 MET ME 4.180 . 6.680 2.142 1.938 2.629 0.062 17 0 "[ . 1 . 2]" 1
1022 1 39 MET QB 1 41 ASP H 5.010 . 6.510 2.799 2.339 3.231 . 0 0 "[ . 1 . 2]" 1
1023 1 39 MET QB 1 42 PRO HA 5.500 . 7.000 3.002 2.581 3.355 . 0 0 "[ . 1 . 2]" 1
1024 1 39 MET QB 1 42 PRO HD2 5.500 . 7.000 4.260 3.815 4.691 . 0 0 "[ . 1 . 2]" 1
1025 1 39 MET QB 1 88 ILE MD 5.130 . 7.630 3.136 2.729 3.466 . 0 0 "[ . 1 . 2]" 1
1026 1 39 MET HG3 1 52 ASP QB 4.980 . 6.480 3.420 2.951 3.619 . 0 0 "[ . 1 . 2]" 1
1027 1 39 MET ME 1 84 LEU QD 4.840 . 9.840 3.238 2.533 4.032 . 0 0 "[ . 1 . 2]" 1
1028 1 41 ASP H 1 42 PRO QG 5.500 . 7.000 4.542 3.999 5.161 . 0 0 "[ . 1 . 2]" 1
1029 1 41 ASP H 1 53 ARG QB 5.500 . 7.000 5.501 4.728 6.199 . 0 0 "[ . 1 . 2]" 1
1030 1 41 ASP HA 1 53 ARG QG 5.500 . 7.000 5.198 4.484 6.293 . 0 0 "[ . 1 . 2]" 1
1031 1 41 ASP HA 1 85 LYS QG 5.500 . 7.000 4.664 3.433 6.236 . 0 0 "[ . 1 . 2]" 1
1032 1 41 ASP HA 1 85 LYS QE 5.500 . 7.000 3.966 2.757 5.129 . 0 0 "[ . 1 . 2]" 1
1033 1 41 ASP QB 1 42 PRO HA 5.430 . 6.930 4.840 4.638 5.148 . 0 0 "[ . 1 . 2]" 1
1034 1 41 ASP QB 1 42 PRO HD2 4.080 . 5.580 4.030 3.773 4.355 . 0 0 "[ . 1 . 2]" 1
1035 1 41 ASP QB 1 43 VAL MG1 5.500 . 8.000 3.216 2.678 4.079 . 0 0 "[ . 1 . 2]" 1
1036 1 41 ASP QB 1 53 ARG H 4.870 . 6.370 3.236 2.691 3.768 . 0 0 "[ . 1 . 2]" 1
1037 1 41 ASP QB 1 53 ARG QG 5.500 . 8.000 2.829 2.029 4.425 . 0 0 "[ . 1 . 2]" 1
1038 1 41 ASP QB 1 53 ARG QD 5.500 . 8.000 4.354 3.217 5.485 . 0 0 "[ . 1 . 2]" 1
1039 1 41 ASP QB 1 54 SER H 5.430 . 6.930 4.166 3.379 4.831 . 0 0 "[ . 1 . 2]" 1
1040 1 42 PRO HA 1 51 MET QG 5.390 . 6.890 5.055 4.609 6.088 . 0 0 "[ . 1 . 2]" 1
1041 1 42 PRO HA 1 53 ARG QB 5.500 . 7.000 5.523 5.116 5.889 . 0 0 "[ . 1 . 2]" 1
1042 1 42 PRO HA 1 53 ARG QG 5.500 . 7.000 5.909 5.192 6.295 . 0 0 "[ . 1 . 2]" 1
1043 1 42 PRO HA 1 81 VAL QG 5.500 . 9.500 4.696 3.767 5.638 . 0 0 "[ . 1 . 2]" 1
1044 1 42 PRO HA 1 84 LEU QD 5.500 . 9.500 5.071 3.967 5.833 . 0 0 "[ . 1 . 2]" 1
1045 1 42 PRO HB2 1 81 VAL QG 4.960 . 8.960 3.156 1.943 4.252 0.057 2 0 "[ . 1 . 2]" 1
1046 1 42 PRO HB3 1 81 VAL QG 4.690 . 8.690 4.279 3.007 5.544 . 0 0 "[ . 1 . 2]" 1
1047 1 42 PRO QG 1 81 VAL QG 5.500 . 10.500 3.937 2.381 4.973 . 0 0 "[ . 1 . 2]" 1
1048 1 42 PRO QG 1 84 LEU HG 4.420 . 5.920 3.248 2.295 3.855 . 0 0 "[ . 1 . 2]" 1
1049 1 42 PRO QG 1 84 LEU QD 5.090 . 10.090 2.994 1.815 3.582 0.185 11 0 "[ . 1 . 2]" 1
1050 1 42 PRO QG 1 88 ILE MD 4.560 . 7.060 2.369 2.068 2.821 . 0 0 "[ . 1 . 2]" 1
1051 1 42 PRO HD2 1 81 VAL QG 5.500 . 9.500 5.110 3.890 6.209 . 0 0 "[ . 1 . 2]" 1
1052 1 42 PRO HD2 1 84 LEU QD 5.500 . 9.500 5.003 3.497 5.535 . 0 0 "[ . 1 . 2]" 1
1053 1 42 PRO HD2 1 85 LYS QG 5.500 . 7.000 3.534 2.159 5.280 . 0 0 "[ . 1 . 2]" 1
1054 1 42 PRO HD3 1 84 LEU QD 5.500 . 9.500 5.020 3.785 5.695 . 0 0 "[ . 1 . 2]" 1
1055 1 42 PRO HD3 1 85 LYS QB 5.500 . 7.000 4.957 3.474 6.278 . 0 0 "[ . 1 . 2]" 1
1056 1 43 VAL HA 1 81 VAL QG 4.810 . 8.810 2.706 2.130 3.657 . 0 0 "[ . 1 . 2]" 1
1057 1 43 VAL HB 1 78 LEU QB 5.370 . 6.870 3.111 2.449 4.204 . 0 0 "[ . 1 . 2]" 1
1058 1 43 VAL MG1 1 53 ARG QB 5.500 . 8.000 2.240 1.958 2.707 0.042 7 0 "[ . 1 . 2]" 1
1059 1 43 VAL MG1 1 53 ARG QD 5.160 . 7.660 4.297 3.741 4.859 . 0 0 "[ . 1 . 2]" 1
1060 1 43 VAL MG1 1 80 PRO QD 5.500 . 8.000 4.071 3.545 4.467 . 0 0 "[ . 1 . 2]" 1
1061 1 43 VAL MG2 1 51 MET QG 5.500 . 8.000 2.768 2.178 4.455 . 0 0 "[ . 1 . 2]" 1
1062 1 43 VAL MG2 1 53 ARG QB 5.500 . 8.000 2.387 1.947 3.257 0.053 9 0 "[ . 1 . 2]" 1
1063 1 43 VAL MG2 1 53 ARG QG 4.720 . 7.220 3.161 1.954 4.052 0.046 13 0 "[ . 1 . 2]" 1
1064 1 43 VAL MG2 1 73 LEU QD 5.500 . 10.500 4.673 4.235 5.279 . 0 0 "[ . 1 . 2]" 1
1065 1 43 VAL MG2 1 78 LEU QB 4.470 . 6.970 3.569 2.722 4.555 . 0 0 "[ . 1 . 2]" 1
1066 1 44 ARG H 1 45 LEU QD 4.160 . 8.160 4.235 3.369 5.819 . 0 0 "[ . 1 . 2]" 1
1067 1 44 ARG H 1 50 ILE QG 4.360 . 5.860 4.556 3.737 5.388 . 0 0 "[ . 1 . 2]" 1
1068 1 44 ARG H 1 79 GLU QB 4.760 . 6.260 3.797 3.165 4.563 . 0 0 "[ . 1 . 2]" 1
1069 1 44 ARG H 1 79 GLU QG 5.500 . 7.000 5.068 2.664 5.747 . 0 0 "[ . 1 . 2]" 1
1070 1 44 ARG H 1 81 VAL QG 3.960 . 7.960 2.740 2.351 3.552 . 0 0 "[ . 1 . 2]" 1
1071 1 44 ARG HA 1 45 LEU QD 5.500 . 9.500 2.900 2.104 3.930 . 0 0 "[ . 1 . 2]" 1
1072 1 44 ARG HA 1 50 ILE QG 5.080 . 6.580 2.820 2.086 4.048 . 0 0 "[ . 1 . 2]" 1
1073 1 44 ARG HA 1 81 VAL QG 5.500 . 9.500 3.843 3.505 4.270 . 0 0 "[ . 1 . 2]" 1
1074 1 44 ARG HB2 1 50 ILE QG 5.500 . 7.000 3.126 2.346 4.059 . 0 0 "[ . 1 . 2]" 1
1075 1 44 ARG HB2 1 81 VAL QG 5.500 . 9.500 2.405 2.117 3.223 . 0 0 "[ . 1 . 2]" 1
1076 1 44 ARG HB3 1 50 ILE QG 5.500 . 7.000 4.408 3.704 5.272 . 0 0 "[ . 1 . 2]" 1
1077 1 44 ARG HB3 1 78 LEU QB 5.500 . 7.000 5.236 4.584 6.219 . 0 0 "[ . 1 . 2]" 1
1078 1 44 ARG HB3 1 79 GLU QB 5.460 . 6.960 2.944 2.165 4.306 . 0 0 "[ . 1 . 2]" 1
1079 1 44 ARG HB3 1 81 VAL QG 5.500 . 9.500 3.197 2.182 4.089 . 0 0 "[ . 1 . 2]" 1
1080 1 44 ARG QG 1 45 LEU H 5.100 . 6.600 2.661 2.152 3.411 . 0 0 "[ . 1 . 2]" 1
1081 1 44 ARG QG 1 48 GLY H 5.500 . 7.000 4.404 3.569 5.587 . 0 0 "[ . 1 . 2]" 1
1082 1 44 ARG QG 1 48 GLY QA 5.180 . 7.680 3.667 2.752 4.833 . 0 0 "[ . 1 . 2]" 1
1083 1 44 ARG QG 1 50 ILE MG 5.500 . 8.000 4.739 3.596 5.916 . 0 0 "[ . 1 . 2]" 1
1084 1 44 ARG QG 1 50 ILE MD 4.900 . 7.400 3.041 1.880 4.240 0.120 1 0 "[ . 1 . 2]" 1
1085 1 44 ARG QD 1 45 LEU H 5.500 . 7.000 3.790 2.044 4.720 . 0 0 "[ . 1 . 2]" 1
1086 1 44 ARG QD 1 48 GLY QA 4.500 . 7.000 3.237 2.449 3.678 . 0 0 "[ . 1 . 2]" 1
1087 1 44 ARG QD 1 81 VAL QG 5.280 . 10.280 4.134 3.368 4.803 . 0 0 "[ . 1 . 2]" 1
1088 1 45 LEU HA 1 73 LEU QD 5.500 . 9.500 4.336 3.759 5.677 . 0 0 "[ . 1 . 2]" 1
1089 1 45 LEU HA 1 77 MET QB 4.980 . 6.480 5.362 4.709 5.789 . 0 0 "[ . 1 . 2]" 1
1090 1 45 LEU HA 1 78 LEU QD 4.990 . 8.990 3.787 2.466 4.716 . 0 0 "[ . 1 . 2]" 1
1091 1 45 LEU HA 1 79 GLU QB 5.500 . 7.000 5.313 4.251 6.182 . 0 0 "[ . 1 . 2]" 1
1092 1 45 LEU QB 1 47 SER H 4.790 . 6.290 2.902 2.104 4.437 . 0 0 "[ . 1 . 2]" 1
1093 1 45 LEU QB 1 48 GLY H 4.980 . 6.480 3.751 2.802 4.614 . 0 0 "[ . 1 . 2]" 1
1094 1 45 LEU QB 1 49 THR H 4.600 . 6.100 3.836 2.658 4.604 . 0 0 "[ . 1 . 2]" 1
1095 1 45 LEU QB 1 49 THR HB 5.120 . 6.620 4.469 2.791 5.625 . 0 0 "[ . 1 . 2]" 1
1096 1 45 LEU QD 1 46 PRO HA 5.500 . 9.500 4.755 3.956 5.432 . 0 0 "[ . 1 . 2]" 1
1097 1 45 LEU QD 1 46 PRO HD2 5.500 . 9.500 3.177 1.931 3.748 0.069 14 0 "[ . 1 . 2]" 1
1098 1 45 LEU QD 1 46 PRO HD3 5.500 . 9.500 3.913 2.630 4.622 . 0 0 "[ . 1 . 2]" 1
1099 1 45 LEU QD 1 47 SER H 5.430 . 9.430 3.346 2.076 4.544 . 0 0 "[ . 1 . 2]" 1
1100 1 45 LEU QD 1 48 GLY H 5.090 . 9.090 3.193 1.634 4.875 0.366 6 0 "[ . 1 . 2]" 1
1101 1 45 LEU QD 1 49 THR HB 5.160 . 9.160 2.700 1.882 4.864 0.118 10 0 "[ . 1 . 2]" 1
1102 1 45 LEU QD 1 50 ILE HA 4.900 . 8.900 3.197 2.388 4.351 . 0 0 "[ . 1 . 2]" 1
1103 1 45 LEU QD 1 51 MET QB 4.970 . 9.970 3.760 1.952 4.777 0.048 13 0 "[ . 1 . 2]" 1
1104 1 45 LEU QD 1 51 MET QG 5.020 . 10.020 2.722 1.813 3.982 0.187 19 0 "[ . 1 . 2]" 1
1105 1 45 LEU QD 1 51 MET ME 4.040 . 9.040 2.018 1.597 3.155 0.403 15 0 "[ . 1 . 2]" 1
1106 1 45 LEU QD 1 56 ILE HA 5.500 . 9.500 5.923 4.631 6.616 . 0 0 "[ . 1 . 2]" 1
1107 1 45 LEU QD 1 56 ILE MG 4.140 . 9.140 3.821 2.796 4.712 . 0 0 "[ . 1 . 2]" 1
1108 1 45 LEU QD 1 56 ILE QG 4.910 . 9.910 3.370 2.327 4.712 . 0 0 "[ . 1 . 2]" 1
1109 1 45 LEU QD 1 56 ILE MD 4.960 . 9.960 3.517 2.055 4.178 . 0 0 "[ . 1 . 2]" 1
1110 1 45 LEU QD 1 66 ASP HA 5.500 . 9.500 4.805 3.407 6.050 . 0 0 "[ . 1 . 2]" 1
1111 1 45 LEU QD 1 66 ASP QB 5.500 . 10.500 3.575 2.112 4.905 . 0 0 "[ . 1 . 2]" 1
1112 1 45 LEU QD 1 67 PRO QD 5.280 . 10.280 4.164 2.433 5.393 . 0 0 "[ . 1 . 2]" 1
1113 1 45 LEU QD 1 73 LEU HA 5.500 . 9.500 4.536 3.198 5.790 . 0 0 "[ . 1 . 2]" 1
1114 1 45 LEU QD 1 73 LEU QD 4.180 . 11.680 2.478 1.733 3.777 . 0 0 "[ . 1 . 2]" 1
1115 1 45 LEU QD 1 78 LEU HA 5.500 . 9.500 4.133 2.869 5.641 . 0 0 "[ . 1 . 2]" 1
1116 1 46 PRO QB 1 48 GLY H 5.500 . 7.000 4.508 4.122 5.171 . 0 0 "[ . 1 . 2]" 1
1117 1 46 PRO HG2 1 73 LEU QD 5.500 . 9.500 3.988 2.712 5.683 . 0 0 "[ . 1 . 2]" 1
1118 1 46 PRO HG2 1 77 MET QB 4.490 . 5.990 4.112 3.549 4.705 . 0 0 "[ . 1 . 2]" 1
1119 1 46 PRO HD2 1 73 LEU QD 5.380 . 9.380 3.374 2.125 5.023 . 0 0 "[ . 1 . 2]" 1
1120 1 46 PRO HD3 1 73 LEU QD 4.960 . 8.960 4.500 3.451 6.018 . 0 0 "[ . 1 . 2]" 1
1121 1 46 PRO HD3 1 78 LEU QD 5.120 . 9.120 4.229 2.289 5.111 . 0 0 "[ . 1 . 2]" 1
1122 1 47 SER H 1 48 GLY QA 5.060 . 6.560 4.672 4.447 4.836 . 0 0 "[ . 1 . 2]" 1
1123 1 47 SER QB 1 69 ASN QD 4.750 . 7.250 2.202 1.637 3.189 0.363 3 0 "[ . 1 . 2]" 1
1124 1 48 GLY QA 1 49 THR MG 4.970 . 7.470 4.755 4.028 5.234 . 0 0 "[ . 1 . 2]" 1
1125 1 49 THR HA 1 50 ILE QG 5.500 . 7.000 3.837 3.311 4.777 . 0 0 "[ . 1 . 2]" 1
1126 1 49 THR MG 1 51 MET QB 5.500 . 8.000 4.287 3.298 5.189 . 0 0 "[ . 1 . 2]" 1
1127 1 49 THR MG 1 51 MET QG 5.500 . 8.000 5.011 3.677 5.873 . 0 0 "[ . 1 . 2]" 1
1128 1 50 ILE H 1 51 MET QG 5.500 . 7.000 5.220 4.223 6.109 . 0 0 "[ . 1 . 2]" 1
1129 1 50 ILE HA 1 81 VAL QG 5.080 . 9.080 4.579 4.016 5.253 . 0 0 "[ . 1 . 2]" 1
1130 1 50 ILE QG 1 51 MET H 4.770 . 6.270 4.010 3.462 4.399 . 0 0 "[ . 1 . 2]" 1
1131 1 50 ILE QG 1 84 LEU QD 5.500 . 10.500 4.236 2.982 5.556 . 0 0 "[ . 1 . 2]" 1
1132 1 51 MET QB 1 52 ASP H 3.680 . 5.180 1.988 1.722 2.505 0.278 9 0 "[ . 1 . 2]" 1
1133 1 51 MET QG 1 53 ARG H 4.280 . 5.780 4.396 3.974 5.285 . 0 0 "[ . 1 . 2]" 1
1134 1 51 MET ME 1 67 PRO QG 5.500 . 8.000 3.557 2.240 4.696 . 0 0 "[ . 1 . 2]" 1
1135 1 51 MET ME 1 73 LEU QD 4.600 . 9.600 3.478 2.529 4.926 . 0 0 "[ . 1 . 2]" 1
1136 1 52 ASP H 1 56 ILE QG 5.160 . 6.660 3.832 3.149 4.427 . 0 0 "[ . 1 . 2]" 1
1137 1 52 ASP QB 1 55 ILE HB 5.500 . 7.000 3.130 2.507 3.612 . 0 0 "[ . 1 . 2]" 1
1138 1 52 ASP QB 1 55 ILE MD 5.500 . 8.000 3.678 3.450 3.999 . 0 0 "[ . 1 . 2]" 1
1139 1 52 ASP QB 1 56 ILE H 4.720 . 6.220 4.183 3.848 4.333 . 0 0 "[ . 1 . 2]" 1
1140 1 53 ARG HA 1 53 ARG QD 5.500 . 7.000 3.343 2.177 4.321 . 0 0 "[ . 1 . 2]" 1
1141 1 53 ARG HA 1 56 ILE QG 5.500 . 7.000 2.808 2.427 3.121 . 0 0 "[ . 1 . 2]" 1
1142 1 53 ARG QB 1 54 SER H 4.120 . 5.620 3.505 2.999 3.810 . 0 0 "[ . 1 . 2]" 1
1143 1 53 ARG QG 1 54 SER H 5.160 . 6.660 3.066 2.108 4.746 . 0 0 "[ . 1 . 2]" 1
1144 1 53 ARG QG 1 54 SER QB 5.500 . 8.000 4.455 3.074 6.439 . 0 0 "[ . 1 . 2]" 1
1145 1 53 ARG QD 1 54 SER H 5.300 . 6.800 3.865 2.888 4.677 . 0 0 "[ . 1 . 2]" 1
1146 1 53 ARG QD 1 54 SER HA 4.220 . 5.720 3.422 2.310 4.860 . 0 0 "[ . 1 . 2]" 1
1147 1 53 ARG QD 1 57 LEU QD 5.500 . 10.500 2.881 2.033 4.214 . 0 0 "[ . 1 . 2]" 1
1148 1 54 SER HA 1 57 LEU QB 5.150 . 6.650 2.439 2.160 2.773 . 0 0 "[ . 1 . 2]" 1
1149 1 54 SER HA 1 57 LEU QD 5.500 . 9.500 3.233 2.224 3.765 . 0 0 "[ . 1 . 2]" 1
1150 1 54 SER QB 1 55 ILE HG12 4.750 . 6.250 3.264 2.741 4.238 . 0 0 "[ . 1 . 2]" 1
1151 1 54 SER QB 1 57 LEU H 4.820 . 6.320 4.568 4.279 4.870 . 0 0 "[ . 1 . 2]" 1
1152 1 55 ILE H 1 58 ARG QG 5.400 . 6.900 5.171 4.633 5.886 . 0 0 "[ . 1 . 2]" 1
1153 1 55 ILE HA 1 58 ARG QB 5.500 . 7.000 4.630 3.297 5.631 . 0 0 "[ . 1 . 2]" 1
1154 1 55 ILE HA 1 59 HIS QB 5.500 . 7.000 4.594 4.353 5.140 . 0 0 "[ . 1 . 2]" 1
1155 1 55 ILE MG 1 58 ARG QG 5.500 . 8.000 4.246 2.996 5.608 . 0 0 "[ . 1 . 2]" 1
1156 1 56 ILE H 1 57 LEU QB 4.680 . 6.180 4.094 3.835 4.461 . 0 0 "[ . 1 . 2]" 1
1157 1 56 ILE H 1 59 HIS QB 5.500 . 7.000 4.209 3.945 4.358 . 0 0 "[ . 1 . 2]" 1
1158 1 56 ILE HA 1 59 HIS QB 5.080 . 6.580 2.006 1.947 2.084 0.053 8 0 "[ . 1 . 2]" 1
1159 1 56 ILE MG 1 59 HIS QB 5.500 . 8.000 2.765 2.517 2.981 . 0 0 "[ . 1 . 2]" 1
1160 1 56 ILE MG 1 75 GLU QG 5.500 . 8.000 4.089 1.944 5.666 0.056 19 0 "[ . 1 . 2]" 1
1161 1 56 ILE QG 1 57 LEU H 4.920 . 6.420 4.077 3.963 4.234 . 0 0 "[ . 1 . 2]" 1
1162 1 56 ILE QG 1 73 LEU HG 5.420 . 6.920 4.629 3.845 5.678 . 0 0 "[ . 1 . 2]" 1
1163 1 56 ILE QG 1 73 LEU QD 4.300 . 9.300 3.387 2.232 4.014 . 0 0 "[ . 1 . 2]" 1
1164 1 56 ILE MD 1 67 PRO QB 5.500 . 8.000 4.645 3.346 5.302 . 0 0 "[ . 1 . 2]" 1
1165 1 56 ILE MD 1 67 PRO QD 4.540 . 7.040 2.998 2.427 3.401 . 0 0 "[ . 1 . 2]" 1
1166 1 57 LEU HA 1 60 LEU QB 5.500 . 7.000 4.810 3.488 5.303 . 0 0 "[ . 1 . 2]" 1
1167 1 57 LEU HA 1 60 LEU QD 5.300 . 9.300 2.613 2.208 3.295 . 0 0 "[ . 1 . 2]" 1
1168 1 57 LEU HA 1 61 LEU QD 5.500 . 9.500 5.482 4.370 6.728 . 0 0 "[ . 1 . 2]" 1
1169 1 57 LEU QB 1 58 ARG H 4.390 . 5.890 2.392 1.968 2.821 0.032 5 0 "[ . 1 . 2]" 1
1170 1 57 LEU QD 1 61 LEU QD 3.900 . 11.400 3.830 2.859 4.776 . 0 0 "[ . 1 . 2]" 1
1171 1 57 LEU QD 1 75 GLU QB 4.340 . 9.340 4.691 3.551 6.029 . 0 0 "[ . 1 . 2]" 1
1172 1 57 LEU QD 1 75 GLU QG 4.400 . 9.400 4.403 2.495 5.370 . 0 0 "[ . 1 . 2]" 1
1173 1 58 ARG H 1 59 HIS QB 5.250 . 6.750 4.142 3.918 4.268 . 0 0 "[ . 1 . 2]" 1
1174 1 58 ARG HA 1 58 ARG QG 3.620 . 5.120 3.006 2.405 3.345 . 0 0 "[ . 1 . 2]" 1
1175 1 58 ARG HA 1 61 LEU QB 5.500 . 7.000 2.325 2.111 2.744 . 0 0 "[ . 1 . 2]" 1
1176 1 58 ARG HA 1 61 LEU QD 5.000 . 9.000 2.886 2.167 3.416 . 0 0 "[ . 1 . 2]" 1
1177 1 58 ARG QB 1 59 HIS H 3.770 . 5.270 3.186 2.506 3.686 . 0 0 "[ . 1 . 2]" 1
1178 1 58 ARG QB 1 59 HIS QB 5.500 . 8.000 4.563 4.060 5.020 . 0 0 "[ . 1 . 2]" 1
1179 1 58 ARG QG 1 59 HIS H 4.210 . 5.710 2.904 1.952 4.192 0.048 1 0 "[ . 1 . 2]" 1
1180 1 58 ARG QD 1 61 LEU QD 5.280 . 10.280 4.968 3.061 6.498 . 0 0 "[ . 1 . 2]" 1
1181 1 59 HIS H 1 60 LEU QB 5.500 . 7.000 5.193 4.733 5.525 . 0 0 "[ . 1 . 2]" 1
1182 1 59 HIS HA 1 61 LEU QB 5.500 . 7.000 4.717 4.339 5.464 . 0 0 "[ . 1 . 2]" 1
1183 1 59 HIS HA 1 61 LEU QD 5.500 . 9.500 5.696 4.632 6.151 . 0 0 "[ . 1 . 2]" 1
1184 1 59 HIS HA 1 62 ASN QB 5.500 . 7.000 5.416 4.504 6.223 . 0 0 "[ . 1 . 2]" 1
1185 1 59 HIS QB 1 60 LEU H 4.400 . 5.900 2.196 1.957 2.770 0.043 14 0 "[ . 1 . 2]" 1
1186 1 59 HIS HD2 1 60 LEU QB 5.500 . 7.000 5.213 4.354 6.294 . 0 0 "[ . 1 . 2]" 1
1187 1 59 HIS HD2 1 63 SER QB 5.500 . 7.000 5.299 4.188 6.292 . 0 0 "[ . 1 . 2]" 1
1188 1 59 HIS HD2 1 67 PRO QG 5.500 . 7.000 4.366 3.637 5.309 . 0 0 "[ . 1 . 2]" 1
1189 1 59 HIS HD2 1 67 PRO QD 5.500 . 7.000 2.671 2.175 3.608 . 0 0 "[ . 1 . 2]" 1
1190 1 59 HIS HE1 1 63 SER QB 4.620 . 6.120 2.884 2.271 4.325 . 0 0 "[ . 1 . 2]" 1
1191 1 59 HIS HE1 1 67 PRO QB 5.500 . 7.000 3.809 2.634 5.443 . 0 0 "[ . 1 . 2]" 1
1192 1 60 LEU HA 1 64 PRO QD 5.500 . 7.000 3.676 3.104 4.224 . 0 0 "[ . 1 . 2]" 1
1193 1 60 LEU QB 1 61 LEU HA 5.500 . 7.000 4.198 3.760 4.474 . 0 0 "[ . 1 . 2]" 1
1194 1 60 LEU QB 1 64 PRO HA 4.840 . 6.340 2.969 2.424 3.879 . 0 0 "[ . 1 . 2]" 1
1195 1 60 LEU QB 1 74 THR HA 5.500 . 7.000 5.384 4.509 6.164 . 0 0 "[ . 1 . 2]" 1
1196 1 60 LEU QB 1 75 GLU H 5.500 . 7.000 5.562 4.514 6.224 . 0 0 "[ . 1 . 2]" 1
1197 1 60 LEU QD 1 61 LEU HA 4.810 . 8.810 3.337 2.286 5.235 . 0 0 "[ . 1 . 2]" 1
1198 1 60 LEU QD 1 61 LEU QD 4.380 . 11.880 3.553 2.052 5.286 . 0 0 "[ . 1 . 2]" 1
1199 1 60 LEU QD 1 75 GLU H 5.120 . 9.120 3.877 2.327 4.817 . 0 0 "[ . 1 . 2]" 1
1200 1 60 LEU QD 1 75 GLU HA 5.500 . 9.500 4.301 3.485 5.444 . 0 0 "[ . 1 . 2]" 1
1201 1 60 LEU QD 1 75 GLU QB 4.460 . 9.460 2.908 2.038 4.310 . 0 0 "[ . 1 . 2]" 1
1202 1 60 LEU QD 1 75 GLU QG 4.800 . 9.800 3.142 2.069 4.632 . 0 0 "[ . 1 . 2]" 1
1203 1 61 LEU H 1 62 ASN QB 5.500 . 7.000 5.201 4.631 5.755 . 0 0 "[ . 1 . 2]" 1
1204 1 61 LEU QB 1 62 ASN H 4.350 . 5.850 2.850 1.992 3.479 0.008 4 0 "[ . 1 . 2]" 1
1205 1 61 LEU QB 1 62 ASN QD 4.940 . 7.440 3.722 1.906 5.791 0.094 18 0 "[ . 1 . 2]" 1
1206 1 61 LEU QD 1 62 ASN H 5.500 . 9.500 3.916 2.579 4.413 . 0 0 "[ . 1 . 2]" 1
1207 1 61 LEU QD 1 62 ASN QD 5.280 . 10.280 4.407 2.691 6.327 . 0 0 "[ . 1 . 2]" 1
1208 1 61 LEU QD 1 63 SER H 5.500 . 9.500 5.233 4.305 5.767 . 0 0 "[ . 1 . 2]" 1
1209 1 62 ASN H 1 63 SER QB 5.180 . 6.680 4.073 3.563 4.734 . 0 0 "[ . 1 . 2]" 1
1210 1 62 ASN QB 1 63 SER H 4.270 . 5.770 3.873 2.617 4.068 . 0 0 "[ . 1 . 2]" 1
1211 1 62 ASN QB 1 63 SER QB 5.140 . 7.640 4.049 3.048 4.525 . 0 0 "[ . 1 . 2]" 1
1212 1 62 ASN QD 1 63 SER H 5.490 . 6.990 3.973 2.649 5.391 . 0 0 "[ . 1 . 2]" 1
1213 1 63 SER H 1 64 PRO QD 5.390 . 6.890 2.583 1.727 3.293 0.273 9 0 "[ . 1 . 2]" 1
1214 1 64 PRO QB 1 65 THR HA 5.330 . 6.830 4.309 3.648 4.501 . 0 0 "[ . 1 . 2]" 1
1215 1 64 PRO QB 1 72 THR MG 5.500 . 8.000 3.228 2.520 5.731 . 0 0 "[ . 1 . 2]" 1
1216 1 64 PRO QB 1 73 LEU H 5.290 . 6.790 4.623 3.265 5.510 . 0 0 "[ . 1 . 2]" 1
1217 1 65 THR H 1 73 LEU QB 4.650 . 6.150 3.877 2.388 4.617 . 0 0 "[ . 1 . 2]" 1
1218 1 65 THR H 1 73 LEU QD 4.480 . 8.480 4.824 2.953 5.947 . 0 0 "[ . 1 . 2]" 1
1219 1 66 ASP H 1 67 PRO QD 5.440 . 6.940 4.264 4.070 4.341 . 0 0 "[ . 1 . 2]" 1
1220 1 66 ASP H 1 71 GLN QB 5.500 . 7.000 4.009 3.229 4.906 . 0 0 "[ . 1 . 2]" 1
1221 1 66 ASP H 1 73 LEU QB 5.040 . 6.540 2.035 1.634 2.560 0.366 9 0 "[ . 1 . 2]" 1
1222 1 66 ASP H 1 73 LEU QD 4.610 . 8.610 2.957 2.051 3.773 . 0 0 "[ . 1 . 2]" 1
1223 1 66 ASP HA 1 67 PRO QB 5.500 . 7.000 4.551 4.484 4.642 . 0 0 "[ . 1 . 2]" 1
1224 1 66 ASP HA 1 73 LEU QD 5.030 . 9.030 2.811 1.939 3.970 0.061 13 0 "[ . 1 . 2]" 1
1225 1 66 ASP QB 1 67 PRO QD 5.500 . 8.000 2.745 2.251 3.416 . 0 0 "[ . 1 . 2]" 1
1226 1 66 ASP QB 1 68 PHE H 5.500 . 7.000 3.652 3.125 4.329 . 0 0 "[ . 1 . 2]" 1
1227 1 66 ASP QB 1 69 ASN H 5.500 . 7.000 4.781 3.890 5.924 . 0 0 "[ . 1 . 2]" 1
1228 1 66 ASP QB 1 70 ARG H 4.720 . 6.220 3.939 2.987 4.972 . 0 0 "[ . 1 . 2]" 1
1229 1 66 ASP QB 1 71 GLN H 4.140 . 5.640 2.260 1.612 3.771 0.388 12 0 "[ . 1 . 2]" 1
1230 1 66 ASP QB 1 73 LEU H 5.500 . 7.000 4.100 3.126 5.349 . 0 0 "[ . 1 . 2]" 1
1231 1 66 ASP QB 1 73 LEU HG 5.500 . 7.000 3.671 2.255 5.264 . 0 0 "[ . 1 . 2]" 1
1232 1 66 ASP QB 1 73 LEU QD 4.510 . 9.510 2.406 1.835 3.841 0.165 16 0 "[ . 1 . 2]" 1
1233 1 67 PRO QB 1 68 PHE HA 5.500 . 7.000 4.127 3.951 4.239 . 0 0 "[ . 1 . 2]" 1
1234 1 67 PRO QB 1 68 PHE QD 4.780 . 7.280 3.498 2.171 4.251 . 0 0 "[ . 1 . 2]" 1
1235 1 67 PRO QB 1 68 PHE QE 5.130 . 7.630 3.852 2.440 4.653 . 0 0 "[ . 1 . 2]" 1
1236 1 67 PRO QB 1 68 PHE HZ 5.500 . 7.000 5.078 4.065 5.827 . 0 0 "[ . 1 . 2]" 1
1237 1 67 PRO QG 1 68 PHE QD 5.370 . 7.870 2.604 2.170 3.141 . 0 0 "[ . 1 . 2]" 1
1238 1 67 PRO QG 1 68 PHE QE 5.210 . 7.710 3.324 2.719 3.993 . 0 0 "[ . 1 . 2]" 1
1239 1 67 PRO QG 1 68 PHE HZ 5.500 . 7.000 4.700 2.896 5.968 . 0 0 "[ . 1 . 2]" 1
1240 1 67 PRO QG 1 69 ASN H 5.500 . 7.000 5.493 4.472 6.032 . 0 0 "[ . 1 . 2]" 1
1241 1 67 PRO QD 1 68 PHE QD 5.500 . 8.000 3.681 2.833 4.373 . 0 0 "[ . 1 . 2]" 1
1242 1 67 PRO QD 1 68 PHE QE 5.500 . 8.000 4.861 2.887 5.830 . 0 0 "[ . 1 . 2]" 1
1243 1 67 PRO QD 1 69 ASN H 5.500 . 7.000 5.369 4.482 6.245 . 0 0 "[ . 1 . 2]" 1
1244 1 67 PRO QD 1 73 LEU QD 5.500 . 10.500 3.349 2.443 4.289 . 0 0 "[ . 1 . 2]" 1
1245 1 68 PHE QB 1 69 ASN H 4.120 . 5.620 2.315 1.565 3.842 0.435 19 0 "[ . 1 . 2]" 1
1246 1 68 PHE QB 1 70 ARG H 5.500 . 7.000 4.291 3.666 5.185 . 0 0 "[ . 1 . 2]" 1
1247 1 69 ASN H 1 70 ARG QB 5.440 . 6.940 5.249 3.846 6.136 . 0 0 "[ . 1 . 2]" 1
1248 1 69 ASN H 1 70 ARG QG 5.500 . 7.000 4.772 2.684 5.682 . 0 0 "[ . 1 . 2]" 1
1249 1 69 ASN QB 1 71 GLN H 5.280 . 6.780 4.162 2.701 5.797 . 0 0 "[ . 1 . 2]" 1
1250 1 69 ASN QD 1 71 GLN QB 5.500 . 8.000 3.138 1.633 5.061 0.367 11 0 "[ . 1 . 2]" 1
1251 1 69 ASN QD 1 71 GLN QG 5.170 . 7.670 4.165 1.722 5.909 0.278 18 0 "[ . 1 . 2]" 1
1252 1 70 ARG H 1 73 LEU QD 5.500 . 9.500 6.283 5.436 6.861 . 0 0 "[ . 1 . 2]" 1
1253 1 70 ARG QG 1 71 GLN H 5.500 . 7.000 4.174 3.347 4.546 . 0 0 "[ . 1 . 2]" 1
1254 1 71 GLN H 1 73 LEU QD 5.500 . 9.500 4.694 3.608 5.663 . 0 0 "[ . 1 . 2]" 1
1255 1 71 GLN HA 1 73 LEU QB 5.500 . 7.000 5.733 4.181 6.163 . 0 0 "[ . 1 . 2]" 1
1256 1 71 GLN QB 1 72 THR H 3.640 . 5.140 3.332 2.288 3.901 . 0 0 "[ . 1 . 2]" 1
1257 1 71 GLN QB 1 73 LEU H 5.500 . 7.000 4.163 2.293 6.086 . 0 0 "[ . 1 . 2]" 1
1258 1 73 LEU HA 1 73 LEU QD 4.440 . 8.440 2.022 1.853 2.635 0.147 6 0 "[ . 1 . 2]" 1
1259 1 73 LEU HA 1 78 LEU QD 5.500 . 9.500 5.623 3.622 6.821 . 0 0 "[ . 1 . 2]" 1
1260 1 73 LEU QB 1 74 THR H 4.250 . 5.750 3.747 3.429 3.952 . 0 0 "[ . 1 . 2]" 1
1261 1 73 LEU QB 1 74 THR MG 5.210 . 7.710 4.591 4.279 4.902 . 0 0 "[ . 1 . 2]" 1
1262 1 73 LEU QD 1 74 THR HA 5.500 . 9.500 3.502 2.891 4.730 . 0 0 "[ . 1 . 2]" 1
1263 1 73 LEU QD 1 77 MET QG 5.500 . 10.500 5.692 5.159 6.321 . 0 0 "[ . 1 . 2]" 1
1264 1 73 LEU QD 1 78 LEU HA 5.500 . 9.500 5.304 4.439 6.467 . 0 0 "[ . 1 . 2]" 1
1265 1 73 LEU QD 1 78 LEU QD 3.630 . 11.130 3.322 1.986 4.532 0.014 17 0 "[ . 1 . 2]" 1
1266 1 74 THR H 1 77 MET QB 4.990 . 6.490 4.095 3.622 5.377 . 0 0 "[ . 1 . 2]" 1
1267 1 74 THR H 1 77 MET QG 4.680 . 6.180 5.243 4.745 5.525 . 0 0 "[ . 1 . 2]" 1
1268 1 74 THR H 1 78 LEU QD 5.500 . 9.500 4.529 2.655 5.549 . 0 0 "[ . 1 . 2]" 1
1269 1 74 THR HA 1 78 LEU QD 5.500 . 9.500 5.112 4.212 6.353 . 0 0 "[ . 1 . 2]" 1
1270 1 74 THR MG 1 77 MET QB 4.290 . 7.290 2.139 1.819 3.052 0.181 18 0 "[ . 1 . 2]" 1
1271 1 75 GLU HA 1 78 LEU QD 4.800 . 8.800 2.247 1.961 3.250 0.039 13 0 "[ . 1 . 2]" 1
1272 1 75 GLU QB 1 78 LEU QD 4.720 . 9.720 3.519 2.948 4.108 . 0 0 "[ . 1 . 2]" 1
1273 1 79 GLU QB 1 80 PRO QD 4.760 . 7.260 3.058 2.512 3.692 . 0 0 "[ . 1 . 2]" 1
1274 1 79 GLU QG 1 80 PRO QD 5.180 . 7.680 3.252 2.167 4.228 . 0 0 "[ . 1 . 2]" 1
1275 1 80 PRO HA 1 81 VAL QG 5.500 . 9.500 3.320 2.996 4.027 . 0 0 "[ . 1 . 2]" 1
1276 1 80 PRO HB3 1 82 PRO QD 5.500 . 7.000 4.931 4.381 5.472 . 0 0 "[ . 1 . 2]" 1
1277 1 80 PRO HG2 1 82 PRO QD 5.500 . 7.000 3.843 3.485 4.499 . 0 0 "[ . 1 . 2]" 1
1278 1 80 PRO HG3 1 82 PRO QD 5.500 . 7.000 5.243 4.921 5.645 . 0 0 "[ . 1 . 2]" 1
1279 1 81 VAL H 1 82 PRO QD 5.470 . 6.970 3.680 3.413 3.939 . 0 0 "[ . 1 . 2]" 1
1280 1 81 VAL HA 1 82 PRO QB 5.500 . 7.000 4.702 4.618 4.778 . 0 0 "[ . 1 . 2]" 1
1281 1 81 VAL HB 1 82 PRO QD 4.660 . 6.160 4.151 3.598 4.399 . 0 0 "[ . 1 . 2]" 1
1282 1 81 VAL QG 1 82 PRO QD 5.120 . 10.120 2.997 2.495 3.393 . 0 0 "[ . 1 . 2]" 1
1283 1 81 VAL QG 1 83 GLU QG 4.710 . 9.710 3.181 1.915 5.039 0.085 2 0 "[ . 1 . 2]" 1
1284 1 81 VAL QG 1 84 LEU HA 5.230 . 9.230 4.532 3.761 5.866 . 0 0 "[ . 1 . 2]" 1
1285 1 81 VAL QG 1 84 LEU QB 4.720 . 9.720 2.805 2.073 4.866 . 0 0 "[ . 1 . 2]" 1
1286 1 82 PRO HA 1 83 GLU QG 5.500 . 7.000 5.470 4.524 6.303 . 0 0 "[ . 1 . 2]" 1
1287 1 82 PRO HA 1 85 LYS QB 4.380 . 5.880 2.804 2.037 4.049 . 0 0 "[ . 1 . 2]" 1
1288 1 82 PRO HA 1 85 LYS QG 5.500 . 7.000 3.543 2.133 4.991 . 0 0 "[ . 1 . 2]" 1
1289 1 82 PRO HA 1 85 LYS QE 5.500 . 7.000 4.935 2.905 6.261 . 0 0 "[ . 1 . 2]" 1
1290 1 82 PRO HA 1 86 GLU QG 5.500 . 7.000 4.744 3.649 5.898 . 0 0 "[ . 1 . 2]" 1
1291 1 82 PRO QB 1 84 LEU H 4.850 . 6.350 4.508 4.172 5.170 . 0 0 "[ . 1 . 2]" 1
1292 1 83 GLU H 1 84 LEU QD 5.500 . 9.500 4.358 2.639 5.670 . 0 0 "[ . 1 . 2]" 1
1293 1 83 GLU QG 1 84 LEU H 4.850 . 6.350 3.092 2.137 4.130 . 0 0 "[ . 1 . 2]" 1
1294 1 83 GLU QG 1 84 LEU HA 5.360 . 6.860 3.791 3.142 5.774 . 0 0 "[ . 1 . 2]" 1
1295 1 83 GLU QG 1 84 LEU HG 5.500 . 7.000 5.386 4.141 6.249 . 0 0 "[ . 1 . 2]" 1
1296 1 83 GLU QG 1 84 LEU QD 5.070 . 10.070 3.089 1.891 4.320 0.109 2 0 "[ . 1 . 2]" 1
1297 1 83 GLU QG 1 85 LYS H 4.700 . 6.200 5.004 4.446 5.509 . 0 0 "[ . 1 . 2]" 1
1298 1 84 LEU H 1 85 LYS QB 4.390 . 5.890 4.153 3.677 4.639 . 0 0 "[ . 1 . 2]" 1
1299 1 84 LEU HA 1 87 GLN QB 4.790 . 6.290 3.361 2.638 5.173 . 0 0 "[ . 1 . 2]" 1
1300 1 84 LEU QD 1 85 LYS H 4.720 . 8.720 3.534 1.756 3.958 0.244 11 0 "[ . 1 . 2]" 1
1301 1 84 LEU QD 1 86 GLU H 5.500 . 9.500 4.995 3.842 5.460 . 0 0 "[ . 1 . 2]" 1
1302 1 84 LEU QD 1 87 GLN QB 5.080 . 10.080 3.452 2.693 5.084 . 0 0 "[ . 1 . 2]" 1
1303 1 84 LEU QD 1 87 GLN QG 5.280 . 10.280 3.907 2.264 5.992 . 0 0 "[ . 1 . 2]" 1
1304 1 84 LEU QD 1 88 ILE MD 4.960 . 9.960 2.478 1.819 3.242 . 0 0 "[ . 1 . 2]" 1
1305 1 84 LEU QD 1 89 GLN H 5.500 . 9.500 5.776 4.758 6.881 . 0 0 "[ . 1 . 2]" 1
1306 1 85 LYS H 1 89 GLN QG 5.500 . 7.000 5.743 4.833 6.083 . 0 0 "[ . 1 . 2]" 1
1307 1 85 LYS HA 1 85 LYS QD 5.500 . 7.000 3.286 2.158 4.149 . 0 0 "[ . 1 . 2]" 1
1308 1 85 LYS HA 1 85 LYS QE 5.500 . 7.000 3.378 2.061 4.287 . 0 0 "[ . 1 . 2]" 1
1309 1 85 LYS HA 1 88 ILE QG 5.500 . 7.000 3.533 2.335 4.195 . 0 0 "[ . 1 . 2]" 1
1310 1 85 LYS HA 1 89 GLN QE 5.500 . 7.000 4.164 2.962 5.239 . 0 0 "[ . 1 . 2]" 1
1311 1 85 LYS QB 1 85 LYS QE 5.500 . 8.000 2.546 2.045 3.598 . 0 0 "[ . 1 . 2]" 1
1312 1 85 LYS QB 1 89 GLN QE 5.500 . 8.000 3.769 1.639 5.543 0.361 9 0 "[ . 1 . 2]" 1
1313 1 85 LYS QG 1 89 GLN QG 5.500 . 8.000 3.575 1.973 5.465 0.027 4 0 "[ . 1 . 2]" 1
1314 1 85 LYS QG 1 89 GLN QE 4.890 . 7.390 3.554 1.923 5.370 0.077 12 0 "[ . 1 . 2]" 1
1315 1 85 LYS QD 1 89 GLN QE 4.740 . 7.240 3.631 1.982 5.574 0.018 5 0 "[ . 1 . 2]" 1
1316 1 85 LYS QE 1 88 ILE MG 5.500 . 8.000 4.398 2.713 5.775 . 0 0 "[ . 1 . 2]" 1
1317 1 85 LYS QE 1 88 ILE MD 5.500 . 8.000 4.158 2.581 5.389 . 0 0 "[ . 1 . 2]" 1
1318 1 85 LYS QE 1 89 GLN H 5.500 . 7.000 4.870 2.844 6.105 . 0 0 "[ . 1 . 2]" 1
1319 1 85 LYS QE 1 89 GLN QE 5.170 . 7.670 3.033 1.837 5.119 0.163 5 0 "[ . 1 . 2]" 1
1320 1 86 GLU QB 1 87 GLN H 4.120 . 5.620 2.468 1.819 3.417 0.181 12 0 "[ . 1 . 2]" 1
1321 1 86 GLU QG 1 87 GLN HA 5.050 . 6.550 4.982 3.616 5.746 . 0 0 "[ . 1 . 2]" 1
1322 1 86 GLU QG 1 87 GLN QG 5.500 . 8.000 5.291 2.527 6.346 . 0 0 "[ . 1 . 2]" 1
1323 1 86 GLU QG 1 90 ALA MB 5.360 . 7.860 5.282 4.673 5.711 . 0 0 "[ . 1 . 2]" 1
1324 1 87 GLN H 1 88 ILE QG 5.500 . 7.000 4.676 3.745 5.329 . 0 0 "[ . 1 . 2]" 1
1325 1 87 GLN QG 1 90 ALA MB 5.500 . 8.000 3.941 2.955 4.864 . 0 0 "[ . 1 . 2]" 1
1326 1 88 ILE H 1 89 GLN QG 4.300 . 5.800 4.339 3.689 4.766 . 0 0 "[ . 1 . 2]" 1
1327 1 88 ILE HB 1 89 GLN QG 5.500 . 7.000 3.083 2.748 3.774 . 0 0 "[ . 1 . 2]" 1
1328 1 88 ILE MG 1 89 GLN QG 5.500 . 8.000 2.965 2.175 3.875 . 0 0 "[ . 1 . 2]" 1
1329 1 88 ILE QG 1 91 TRP HB3 5.500 . 7.000 5.301 4.879 5.695 . 0 0 "[ . 1 . 2]" 1
1330 1 88 ILE MD 1 89 GLN QG 5.500 . 8.000 4.391 4.132 5.397 . 0 0 "[ . 1 . 2]" 1
1331 1 89 GLN H 1 89 GLN QG 5.500 . 7.000 1.853 1.669 2.147 0.331 11 0 "[ . 1 . 2]" 1
1332 1 90 ALA HA 1 93 ARG QB 4.930 . 6.430 2.599 2.216 3.167 . 0 0 "[ . 1 . 2]" 1
1333 1 91 TRP HA 1 93 ARG QB 5.500 . 7.000 5.099 4.632 5.564 . 0 0 "[ . 1 . 2]" 1
1334 1 91 TRP HD1 1 95 LYS QD 5.500 . 8.000 4.245 3.207 5.813 . 0 0 "[ . 1 . 2]" 1
1335 1 91 TRP HD1 1 95 LYS QE 5.500 . 8.000 5.100 4.108 5.915 . 0 0 "[ . 1 . 2]" 1
1336 1 91 TRP HE1 1 95 LYS QD 5.190 . 7.690 3.475 2.656 4.869 . 0 0 "[ . 1 . 2]" 1
1337 1 91 TRP HZ3 1 95 LYS QG 5.500 . 7.000 5.362 4.602 6.213 . 0 0 "[ . 1 . 2]" 1
1338 1 91 TRP HZ2 1 95 LYS QG 5.500 . 7.000 4.843 3.994 5.847 . 0 0 "[ . 1 . 2]" 1
1339 1 91 TRP HZ2 1 95 LYS QD 5.180 . 6.680 3.917 3.344 4.575 . 0 0 "[ . 1 . 2]" 1
1340 1 91 TRP HH2 1 95 LYS QG 5.500 . 7.000 5.236 4.156 6.273 . 0 0 "[ . 1 . 2]" 1
1341 1 91 TRP HH2 1 95 LYS QD 4.730 . 6.230 4.967 3.937 5.608 . 0 0 "[ . 1 . 2]" 1
1342 1 91 TRP HH2 1 95 LYS QE 4.880 . 6.380 3.986 3.402 5.496 . 0 0 "[ . 1 . 2]" 1
1343 1 92 MET H 1 93 ARG QG 5.500 . 7.000 5.540 4.303 6.273 . 0 0 "[ . 1 . 2]" 1
1344 1 92 MET HA 1 95 LYS QB 5.150 . 6.650 3.706 2.062 4.877 . 0 0 "[ . 1 . 2]" 1
1345 1 92 MET HA 1 95 LYS QG 5.270 . 6.770 2.344 2.124 3.229 . 0 0 "[ . 1 . 2]" 1
1346 1 92 MET HA 1 96 GLN QB 5.500 . 7.000 5.766 4.674 6.341 . 0 0 "[ . 1 . 2]" 1
1347 1 92 MET HG2 1 95 LYS QG 5.500 . 7.000 5.837 5.423 6.286 . 0 0 "[ . 1 . 2]" 1
1348 1 92 MET HG3 1 95 LYS QG 5.500 . 7.000 5.024 4.595 6.001 . 0 0 "[ . 1 . 2]" 1
1349 1 93 ARG H 1 93 ARG QD 5.500 . 7.000 4.347 3.754 4.774 . 0 0 "[ . 1 . 2]" 1
1350 1 93 ARG HA 1 93 ARG QD 5.420 . 6.920 3.573 2.220 4.172 . 0 0 "[ . 1 . 2]" 1
1351 1 93 ARG HA 1 96 GLN QB 4.400 . 5.900 3.978 2.235 5.302 . 0 0 "[ . 1 . 2]" 1
1352 1 93 ARG HA 1 96 GLN QG 4.740 . 6.240 2.617 2.105 4.572 . 0 0 "[ . 1 . 2]" 1
1353 1 93 ARG QG 1 94 GLU H 4.640 . 6.140 3.766 2.993 4.511 . 0 0 "[ . 1 . 2]" 1
1354 1 94 GLU HG3 1 95 LYS QB 4.940 . 6.440 3.882 2.993 4.624 . 0 0 "[ . 1 . 2]" 1
1355 1 95 LYS QB 1 95 LYS QE 5.010 . 7.510 2.255 1.949 3.089 0.051 8 0 "[ . 1 . 2]" 1
1356 1 95 LYS QB 1 96 GLN H 4.420 . 5.920 3.257 1.964 4.026 0.036 11 0 "[ . 1 . 2]" 1
1357 1 95 LYS QB 1 96 GLN QB 5.500 . 8.000 4.183 3.282 5.638 . 0 0 "[ . 1 . 2]" 1
1358 1 95 LYS QE 1 96 GLN H 5.490 . 6.990 5.693 4.678 6.127 . 0 0 "[ . 1 . 2]" 1
1359 1 96 GLN H 1 96 GLN QE 5.500 . 7.000 4.643 2.612 5.975 . 0 0 "[ . 1 . 2]" 1
1360 1 96 GLN HA 1 97 ASN QB 5.020 . 6.520 4.713 4.077 5.306 . 0 0 "[ . 1 . 2]" 1
1361 1 96 GLN QB 1 97 ASN HA 5.500 . 7.000 4.280 3.778 4.797 . 0 0 "[ . 1 . 2]" 1
1362 1 96 GLN QB 1 97 ASN QB 4.940 . 7.440 4.616 3.619 5.459 . 0 0 "[ . 1 . 2]" 1
1363 1 97 ASN H 1 98 SER QB 5.500 . 7.000 4.801 3.427 6.111 . 0 0 "[ . 1 . 2]" 1
1364 1 97 ASN QB 1 98 SER HA 5.500 . 7.000 4.724 4.040 5.506 . 0 0 "[ . 1 . 2]" 1
1365 1 98 SER QB 1 99 ASP HA 5.500 . 7.000 4.377 3.758 5.080 . 0 0 "[ . 1 . 2]" 1
1366 1 98 SER QB 1 99 ASP QB 5.180 . 7.680 4.384 3.178 5.473 . 0 0 "[ . 1 . 2]" 1
1367 1 98 SER QB 1 100 HIS H 5.500 . 7.000 4.978 3.440 5.896 . 0 0 "[ . 1 . 2]" 1
1368 1 99 ASP QB 1 100 HIS QB 4.290 . 6.790 4.507 3.205 5.406 . 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 48
_Distance_constraint_stats_list.Viol_count 181
_Distance_constraint_stats_list.Viol_total 529.162
_Distance_constraint_stats_list.Viol_max 1.868
_Distance_constraint_stats_list.Viol_rms 0.1392
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0276
_Distance_constraint_stats_list.Viol_average_violations_only 0.1462
_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 30 PHE 0.427 0.097 18 0 "[ . 1 . 2]"
1 32 ASP 7.241 1.628 6 3 "[ - .+* 1 . 2]"
1 35 MET 7.070 1.628 6 3 "[ - .+* 1 . 2]"
1 37 THR 0.171 0.089 16 0 "[ . 1 . 2]"
1 39 MET 0.427 0.097 18 0 "[ . 1 . 2]"
1 41 ASP 5.666 1.868 6 3 "[- *+ 1 . 2]"
1 42 PRO 0.561 0.107 10 0 "[ . 1 . 2]"
1 43 VAL 0.248 0.065 14 0 "[ . 1 . 2]"
1 44 ARG 0.028 0.028 4 0 "[ . 1 . 2]"
1 45 LEU 0.280 0.084 9 0 "[ . 1 . 2]"
1 49 THR 0.280 0.084 9 0 "[ . 1 . 2]"
1 51 MET 0.248 0.065 14 0 "[ . 1 . 2]"
1 52 ASP 5.845 1.868 6 3 "[- *+ 1 . 2]"
1 53 ARG 0.521 0.079 19 0 "[ . 1 . 2]"
1 56 ILE 0.750 0.087 12 0 "[ . 1 . 2]"
1 57 LEU 0.127 0.043 10 0 "[ . 1 . 2]"
1 60 LEU 0.177 0.041 2 0 "[ . 1 . 2]"
1 66 ASP 10.156 0.732 4 14 "[* +*-***** **. * **]"
1 68 PHE 10.054 0.732 4 14 "[* +*-***** **. * **]"
1 71 GLN 0.102 0.065 12 0 "[ . 1 . 2]"
1 79 GLU 0.028 0.028 4 0 "[ . 1 . 2]"
1 81 VAL 0.561 0.107 10 0 "[ . 1 . 2]"
1 82 PRO 0.138 0.039 5 0 "[ . 1 . 2]"
1 84 LEU 0.107 0.036 11 0 "[ . 1 . 2]"
1 85 LYS 0.008 0.008 10 0 "[ . 1 . 2]"
1 86 GLU 0.276 0.048 6 0 "[ . 1 . 2]"
1 87 GLN 0.124 0.040 14 0 "[ . 1 . 2]"
1 88 ILE 0.113 0.036 11 0 "[ . 1 . 2]"
1 89 GLN 0.425 0.056 19 0 "[ . 1 . 2]"
1 90 ALA 0.174 0.048 6 0 "[ . 1 . 2]"
1 91 TRP 0.124 0.040 14 0 "[ . 1 . 2]"
1 92 MET 0.006 0.004 4 0 "[ . 1 . 2]"
1 93 ARG 0.416 0.056 19 0 "[ . 1 . 2]"
1 94 GLU 0.035 0.035 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 56 ILE O 1 60 LEU H 2.000 . 2.300 2.243 2.093 2.334 0.034 15 0 "[ . 1 . 2]" 2
2 1 56 ILE O 1 60 LEU N 3.000 3.000 3.300 3.180 2.959 3.309 0.041 2 0 "[ . 1 . 2]" 2
3 1 85 LYS O 1 89 GLN H 2.000 . 2.300 1.997 1.607 2.308 0.008 10 0 "[ . 1 . 2]" 2
4 1 85 LYS O 1 89 GLN N 3.000 2.500 3.300 2.873 2.561 3.171 . 0 0 "[ . 1 . 2]" 2
5 1 86 GLU O 1 90 ALA H 2.000 . 2.300 2.166 1.942 2.340 0.040 14 0 "[ . 1 . 2]" 2
6 1 86 GLU O 1 90 ALA N 3.000 2.700 3.300 2.908 2.652 3.082 0.048 6 0 "[ . 1 . 2]" 2
7 1 87 GLN O 1 91 TRP H 2.000 . 2.300 2.127 1.764 2.340 0.040 14 0 "[ . 1 . 2]" 2
8 1 87 GLN O 1 91 TRP N 3.000 2.750 3.300 3.001 2.737 3.261 0.013 19 0 "[ . 1 . 2]" 2
9 1 88 ILE O 1 92 MET H 2.000 . 2.300 2.166 1.810 2.304 0.004 4 0 "[ . 1 . 2]" 2
10 1 88 ILE O 1 92 MET N 3.000 2.500 3.300 3.074 2.757 3.239 . 0 0 "[ . 1 . 2]" 2
11 1 89 GLN O 1 93 ARG H 2.000 . 2.300 2.268 1.847 2.356 0.056 19 0 "[ . 1 . 2]" 2
12 1 89 GLN O 1 93 ARG N 3.000 2.700 3.300 2.935 2.658 3.199 0.042 13 0 "[ . 1 . 2]" 2
13 1 30 PHE O 1 39 MET H 2.200 . 2.500 2.434 1.984 2.597 0.097 18 0 "[ . 1 . 2]" 2
14 1 30 PHE O 1 39 MET N 3.500 2.500 3.800 3.303 2.871 3.515 . 0 0 "[ . 1 . 2]" 2
15 1 32 ASP H 1 37 THR O 3.000 . 3.300 2.450 2.001 3.007 . 0 0 "[ . 1 . 2]" 2
16 1 32 ASP N 1 37 THR O 4.000 3.000 4.300 3.302 2.911 3.986 0.089 16 0 "[ . 1 . 2]" 2
17 1 32 ASP OD1 1 35 MET H 3.000 . 3.300 3.035 1.980 4.928 1.628 6 3 "[ - .+* 1 . 2]" 2
18 1 32 ASP OD1 1 35 MET N 4.250 2.750 4.550 3.692 2.256 5.512 0.962 6 3 "[ - .+* 1 . 2]" 2
19 1 41 ASP H 1 52 ASP OD1 2.500 . 2.800 2.559 1.503 4.668 1.868 6 3 "[- *+ 1 . 2]" 2
20 1 41 ASP N 1 52 ASP OD1 3.750 2.750 4.050 3.203 2.276 5.335 1.285 6 1 "[ .+ 1 . 2]" 2
21 1 41 ASP O 1 53 ARG H 2.000 . 2.300 2.253 1.938 2.379 0.079 19 0 "[ . 1 . 2]" 2
22 1 41 ASP O 1 53 ARG N 3.000 . 3.300 3.184 2.847 3.328 0.028 19 0 "[ . 1 . 2]" 2
23 1 43 VAL O 1 51 MET H 2.000 . 2.300 2.224 1.949 2.365 0.065 14 0 "[ . 1 . 2]" 2
24 1 43 VAL O 1 51 MET N 3.000 . 3.300 3.113 2.877 3.279 . 0 0 "[ . 1 . 2]" 2
25 1 43 VAL H 1 51 MET O 2.000 . 2.300 1.841 1.413 2.205 . 0 0 "[ . 1 . 2]" 2
26 1 43 VAL N 1 51 MET O 3.000 . 3.300 2.783 2.356 3.167 . 0 0 "[ . 1 . 2]" 2
27 1 44 ARG H 1 79 GLU O 2.000 . 2.300 1.775 1.422 2.186 . 0 0 "[ . 1 . 2]" 2
28 1 44 ARG N 1 79 GLU O 3.000 . 3.300 2.709 2.371 3.166 . 0 0 "[ . 1 . 2]" 2
29 1 45 LEU H 1 49 THR O 2.000 . 2.300 2.161 1.632 2.384 0.084 9 0 "[ . 1 . 2]" 2
30 1 45 LEU N 1 49 THR O 3.000 . 3.300 3.070 2.605 3.315 0.015 9 0 "[ . 1 . 2]" 2
31 1 52 ASP O 1 56 ILE H 3.000 . 3.300 2.349 2.211 2.510 . 0 0 "[ . 1 . 2]" 2
32 1 52 ASP O 1 56 ILE N 4.250 3.250 4.550 3.241 3.163 3.454 0.087 12 0 "[ . 1 . 2]" 2
33 1 53 ARG O 1 57 LEU H 3.000 . 3.300 2.228 1.992 2.786 0.008 3 0 "[ . 1 . 2]" 2
34 1 53 ARG O 1 57 LEU N 4.250 2.750 4.550 2.929 2.707 3.268 0.043 10 0 "[ . 1 . 2]" 2
35 1 66 ASP H 1 71 GLN O 2.000 . 2.300 1.958 1.439 2.365 0.065 12 0 "[ . 1 . 2]" 2
36 1 66 ASP N 1 71 GLN O 3.000 . 3.300 2.742 2.387 3.130 . 0 0 "[ . 1 . 2]" 2
37 1 66 ASP OD1 1 68 PHE H 2.750 . 3.250 2.355 1.710 3.842 0.592 8 1 "[ . + 1 . 2]" 2
38 1 66 ASP OD1 1 68 PHE N 4.000 3.000 4.500 2.752 2.268 4.804 0.732 4 13 "[* +*-* *** **. * **]" 2
39 1 82 PRO O 1 86 GLU H 2.500 . 2.800 2.564 1.935 2.839 0.039 5 0 "[ . 1 . 2]" 2
40 1 82 PRO O 1 86 GLU N 3.500 2.500 3.800 3.448 2.914 3.743 . 0 0 "[ . 1 . 2]" 2
41 1 84 LEU O 1 88 ILE H 2.000 . 2.300 2.110 1.679 2.336 0.036 11 0 "[ . 1 . 2]" 2
42 1 84 LEU O 1 88 ILE N 3.000 . 3.300 3.038 2.595 3.299 . 0 0 "[ . 1 . 2]" 2
43 1 90 ALA O 1 94 GLU H 2.200 . 2.500 2.215 1.955 2.535 0.035 13 0 "[ . 1 . 2]" 2
44 1 90 ALA O 1 94 GLU N 3.500 2.500 3.800 3.128 2.849 3.480 . 0 0 "[ . 1 . 2]" 2
45 1 42 PRO O 1 81 VAL H 2.000 . 2.300 2.315 2.196 2.407 0.107 10 0 "[ . 1 . 2]" 2
46 1 42 PRO O 1 81 VAL N 3.000 . 3.300 3.253 3.096 3.345 0.045 10 0 "[ . 1 . 2]" 2
47 1 44 ARG O 1 79 GLU H 2.000 . 2.300 1.949 1.599 2.328 0.028 4 0 "[ . 1 . 2]" 2
48 1 44 ARG O 1 79 GLU N 3.000 . 3.300 2.898 2.563 3.283 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, June 13, 2024 5:37:01 AM GMT (wattos1)