NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419791 |
2edp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2edp
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 1982
_Distance_constraint_stats_list.Viol_count 2212
_Distance_constraint_stats_list.Viol_total 7657.215
_Distance_constraint_stats_list.Viol_max 1.906
_Distance_constraint_stats_list.Viol_rms 0.0578
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.1731
_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 9 SER 3.832 0.585 11 4 "[- . *+ * 2]"
1 10 PHE 2.804 0.287 5 0 "[ . 1 . 2]"
1 11 GLN 11.465 1.906 13 6 "[ .- 1 *+ .* **2]"
1 12 TYR 0.932 0.163 8 0 "[ . 1 . 2]"
1 13 VAL 18.883 0.805 8 8 "[* . +*1*-* . **]"
1 14 PRO 18.508 0.805 8 4 "[ . +-1* . *]"
1 15 VAL 16.977 0.493 20 0 "[ . 1 . 2]"
1 16 GLN 8.437 0.664 11 5 "[ ** . *-1+ . 2]"
1 17 LEU 18.749 0.566 2 4 "[ + ** 1 * 2]"
1 18 GLN 8.305 0.345 11 0 "[ . 1 . 2]"
1 19 GLY 10.035 0.908 18 2 "[ -. 1 . + 2]"
1 20 GLY 7.337 0.480 20 0 "[ . 1 . 2]"
1 21 ALA 0.008 0.008 14 0 "[ . 1 . 2]"
1 22 PRO 0.649 0.123 1 0 "[ . 1 . 2]"
1 23 TRP 24.445 0.795 12 8 "[* *-* * 1 + *.* 2]"
1 24 GLY 4.441 0.216 3 0 "[ . 1 . 2]"
1 25 PHE 26.166 0.654 7 7 "[* * + **- . * 2]"
1 26 THR 6.740 0.385 7 0 "[ . 1 . 2]"
1 27 LEU 3.308 0.393 8 0 "[ . 1 . 2]"
1 28 LYS 5.500 0.412 6 0 "[ . 1 . 2]"
1 29 GLY 0.009 0.009 18 0 "[ . 1 . 2]"
1 30 GLY 4.814 0.412 6 0 "[ . 1 . 2]"
1 31 LEU 1.437 0.310 4 0 "[ . 1 . 2]"
1 32 GLU 0.044 0.015 1 0 "[ . 1 . 2]"
1 33 HIS 1.133 0.310 4 0 "[ . 1 . 2]"
1 34 CYS 0.042 0.036 8 0 "[ . 1 . 2]"
1 35 GLU 1.720 0.129 1 0 "[ . 1 . 2]"
1 36 PRO 5.719 0.268 17 0 "[ . 1 . 2]"
1 37 LEU 5.602 0.220 17 0 "[ . 1 . 2]"
1 38 THR 12.591 0.455 13 0 "[ . 1 . 2]"
1 39 VAL 14.175 0.496 1 0 "[ . 1 . 2]"
1 40 SER 7.383 0.282 12 0 "[ . 1 . 2]"
1 41 LYS 16.282 0.385 7 0 "[ . 1 . 2]"
1 42 ILE 6.097 0.335 11 0 "[ . 1 . 2]"
1 43 GLU 6.772 0.420 16 0 "[ . 1 . 2]"
1 44 ASP 3.218 0.305 9 0 "[ . 1 . 2]"
1 45 GLY 4.681 0.474 1 0 "[ . 1 . 2]"
1 46 GLY 10.212 0.420 16 0 "[ . 1 . 2]"
1 47 LYS 28.548 0.795 12 9 "[* *** * 1 + *.* - 2]"
1 48 ALA 4.130 0.423 8 0 "[ . 1 . 2]"
1 49 ALA 0.044 0.037 10 0 "[ . 1 . 2]"
1 50 LEU 5.926 0.474 1 0 "[ . 1 . 2]"
1 51 SER 7.486 0.566 2 4 "[ + ** 1 - 2]"
1 52 GLN 6.305 0.531 2 1 "[ + . 1 . 2]"
1 53 LYS 4.096 0.351 11 0 "[ . 1 . 2]"
1 54 MET 3.632 0.423 8 0 "[ . 1 . 2]"
1 55 ARG 3.594 0.334 5 0 "[ . 1 . 2]"
1 56 THR 4.083 0.241 9 0 "[ . 1 . 2]"
1 57 GLY 7.295 0.455 13 0 "[ . 1 . 2]"
1 58 ASP 3.667 0.496 1 0 "[ . 1 . 2]"
1 59 GLU 2.810 0.269 17 0 "[ . 1 . 2]"
1 60 LEU 2.635 0.238 12 0 "[ . 1 . 2]"
1 61 VAL 8.129 0.283 18 0 "[ . 1 . 2]"
1 62 ASN 6.166 0.321 14 0 "[ . 1 . 2]"
1 63 ILE 18.124 0.677 19 10 "[ ****-*1 * * +*]"
1 64 ASN 0.005 0.003 11 0 "[ . 1 . 2]"
1 65 GLY 0.007 0.006 4 0 "[ . 1 . 2]"
1 66 THR 2.055 0.205 6 0 "[ . 1 . 2]"
1 67 PRO 4.377 0.425 15 0 "[ . 1 . 2]"
1 68 LEU 26.215 0.917 9 18 "[********+*** *.****-]"
1 69 TYR 2.354 0.425 15 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.023 0.020 7 0 "[ . 1 . 2]"
1 72 ARG 1.152 0.356 7 0 "[ . 1 . 2]"
1 73 GLN 7.039 0.389 13 0 "[ . 1 . 2]"
1 74 GLU 0.139 0.044 14 0 "[ . 1 . 2]"
1 75 ALA 5.015 0.412 18 0 "[ . 1 . 2]"
1 76 LEU 8.383 0.444 17 0 "[ . 1 . 2]"
1 77 ILE 6.602 0.389 13 0 "[ . 1 . 2]"
1 78 LEU 50.915 1.165 14 20 [*************+-*****]
1 79 ILE 41.328 0.770 14 20 [*******-*****+******]
1 80 LYS 3.737 0.281 8 0 "[ . 1 . 2]"
1 81 GLY 13.776 1.165 14 14 "[* * *****1 * +-*** *]"
1 82 SER 0.451 0.267 14 0 "[ . 1 . 2]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 4.915 0.908 18 2 "[ -. 1 . + 2]"
1 85 ILE 17.032 0.497 12 0 "[ . 1 . 2]"
1 86 LEU 11.764 0.562 20 2 "[ . 1 . - +]"
1 87 LYS 30.748 0.664 11 7 "[ ** . *-1+ . * *]"
1 88 LEU 16.612 0.375 18 0 "[ . 1 . 2]"
1 89 ILE 14.651 0.296 18 0 "[ . 1 . 2]"
1 90 VAL 10.917 0.654 7 7 "[* * + **- . * 2]"
1 91 ARG 10.520 0.507 13 4 "[* . 1 -+ . *2]"
1 92 ARG 18.239 1.906 13 6 "[ .- 1 *+ .* **2]"
1 93 ARG 0.858 0.139 20 0 "[ . 1 . 2]"
1 94 ASN 3.893 0.585 11 4 "[- . *+ * 2]"
1 96 GLY 0.004 0.004 6 0 "[ . 1 . 2]"
1 97 PRO 0.004 0.004 6 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 17 LEU H 1 88 LEU H . . 4.800 4.522 4.226 4.781 . 0 0 "[ . 1 . 2]" 1
2 1 87 LYS H 1 88 LEU H . . 4.720 4.131 3.952 4.241 . 0 0 "[ . 1 . 2]" 1
3 1 16 GLN HA 1 88 LEU H . . 3.710 3.623 3.387 3.826 0.116 6 0 "[ . 1 . 2]" 1
4 1 87 LYS HA 1 88 LEU H . . 2.950 2.150 2.141 2.196 . 0 0 "[ . 1 . 2]" 1
5 1 88 LEU H 1 89 ILE HA . . 5.060 4.827 4.744 4.966 . 0 0 "[ . 1 . 2]" 1
6 1 87 LYS HB3 1 88 LEU H . . 3.940 3.632 3.468 3.874 . 0 0 "[ . 1 . 2]" 1
7 1 15 VAL HB 1 88 LEU H . . 4.020 3.396 3.113 3.600 . 0 0 "[ . 1 . 2]" 1
8 1 88 LEU H 1 88 LEU HB3 . . 4.000 3.837 3.750 3.890 . 0 0 "[ . 1 . 2]" 1
9 1 88 LEU H 1 88 LEU HG . . 3.530 2.446 2.218 2.582 . 0 0 "[ . 1 . 2]" 1
10 1 88 LEU H 1 88 LEU HB2 . . 3.730 2.962 2.872 3.037 . 0 0 "[ . 1 . 2]" 1
11 1 60 LEU MD2 1 88 LEU H . . 5.500 5.362 5.128 5.511 0.011 7 0 "[ . 1 . 2]" 1
12 1 88 LEU H 1 89 ILE HG13 . . 5.500 5.170 5.018 5.365 . 0 0 "[ . 1 . 2]" 1
13 1 86 LEU HG 1 88 LEU H . . 5.270 4.965 4.141 5.350 0.080 14 0 "[ . 1 . 2]" 1
14 1 88 LEU H 1 88 LEU MD2 . . 4.140 3.563 3.370 3.753 . 0 0 "[ . 1 . 2]" 1
15 1 88 LEU H 1 89 ILE MD . . 4.460 3.765 3.581 3.971 . 0 0 "[ . 1 . 2]" 1
16 1 88 LEU H 1 88 LEU MD1 . . 4.050 3.752 3.625 3.877 . 0 0 "[ . 1 . 2]" 1
17 1 26 THR HA 1 27 LEU H . . 3.160 2.564 2.499 2.620 . 0 0 "[ . 1 . 2]" 1
18 1 26 THR HB 1 27 LEU H . . 3.610 2.052 1.952 2.177 . 0 0 "[ . 1 . 2]" 1
19 1 27 LEU H 1 27 LEU HG . . 3.300 3.083 2.845 3.390 0.090 8 0 "[ . 1 . 2]" 1
20 1 27 LEU H 1 27 LEU HB2 . . 3.960 2.787 2.686 2.873 . 0 0 "[ . 1 . 2]" 1
21 1 27 LEU H 1 27 LEU MD1 . . 4.330 3.887 3.661 4.206 . 0 0 "[ . 1 . 2]" 1
22 1 15 VAL H 1 90 VAL H . . 4.270 3.707 3.392 3.966 . 0 0 "[ . 1 . 2]" 1
23 1 14 PRO HA 1 15 VAL H . . 2.820 2.320 2.195 2.397 . 0 0 "[ . 1 . 2]" 1
24 1 15 VAL H 1 88 LEU HB2 . . 4.570 3.578 3.423 3.776 . 0 0 "[ . 1 . 2]" 1
25 1 15 VAL H 1 15 VAL MG2 . . 3.370 2.092 1.902 2.358 . 0 0 "[ . 1 . 2]" 1
26 1 15 VAL H 1 87 LYS HA . . 5.030 5.189 5.026 5.311 0.281 14 0 "[ . 1 . 2]" 1
27 1 15 VAL H 1 89 ILE HA . . 3.760 3.260 3.090 3.528 . 0 0 "[ . 1 . 2]" 1
28 1 14 PRO HB3 1 15 VAL H . . 4.260 4.465 4.290 4.539 0.279 20 0 "[ . 1 . 2]" 1
29 1 14 PRO HB2 1 15 VAL H . . 3.750 4.156 3.937 4.243 0.493 20 0 "[ . 1 . 2]" 1
30 1 15 VAL H 1 15 VAL HB . . 3.450 2.588 2.516 2.656 . 0 0 "[ . 1 . 2]" 1
31 1 54 MET HB3 1 55 ARG H . . 4.070 3.652 3.346 3.840 . 0 0 "[ . 1 . 2]" 1
32 1 54 MET ME 1 55 ARG H . . 4.330 3.966 3.546 4.202 . 0 0 "[ . 1 . 2]" 1
33 1 54 MET HA 1 55 ARG H . . 2.980 2.355 2.250 2.564 . 0 0 "[ . 1 . 2]" 1
34 1 54 MET HB2 1 55 ARG H . . 3.480 2.583 2.103 2.875 . 0 0 "[ . 1 . 2]" 1
35 1 42 ILE MD 1 55 ARG H . . 4.070 3.525 3.301 3.719 . 0 0 "[ . 1 . 2]" 1
36 1 61 VAL H 1 62 ASN H . . 2.980 1.916 1.802 2.092 . 0 0 "[ . 1 . 2]" 1
37 1 62 ASN H 1 90 VAL HA . . 5.280 4.587 4.363 4.911 . 0 0 "[ . 1 . 2]" 1
38 1 62 ASN H 1 88 LEU HA . . 4.910 4.664 4.484 4.828 . 0 0 "[ . 1 . 2]" 1
39 1 60 LEU HA 1 62 ASN H . . 3.730 3.482 3.260 3.698 . 0 0 "[ . 1 . 2]" 1
40 1 62 ASN H 1 67 PRO HA . . 5.190 5.186 5.084 5.210 0.020 15 0 "[ . 1 . 2]" 1
41 1 62 ASN H 1 62 ASN HB3 . . 3.840 2.884 2.792 3.103 . 0 0 "[ . 1 . 2]" 1
42 1 61 VAL HB 1 62 ASN H . . 4.500 4.109 3.896 4.422 . 0 0 "[ . 1 . 2]" 1
43 1 62 ASN H 1 62 ASN HB2 . . 3.840 2.853 2.644 3.137 . 0 0 "[ . 1 . 2]" 1
44 1 62 ASN H 1 68 LEU HB2 . . 5.500 5.356 4.937 5.502 0.002 18 0 "[ . 1 . 2]" 1
45 1 62 ASN H 1 89 ILE HB . . 4.120 3.778 3.389 4.312 0.192 9 0 "[ . 1 . 2]" 1
46 1 60 LEU HG 1 62 ASN H . . 4.020 4.107 3.922 4.258 0.238 12 0 "[ . 1 . 2]" 1
47 1 60 LEU MD2 1 62 ASN H . . 3.270 1.968 1.708 2.254 . 0 0 "[ . 1 . 2]" 1
48 1 61 VAL MG2 1 62 ASN H . . 3.610 2.298 1.893 2.966 . 0 0 "[ . 1 . 2]" 1
49 1 62 ASN H 1 68 LEU QD . . 3.950 3.795 3.309 4.271 0.321 14 0 "[ . 1 . 2]" 1
50 1 59 GLU H 1 90 VAL MG1 . . 4.450 3.995 3.733 4.357 . 0 0 "[ . 1 . 2]" 1
51 1 58 ASP H 1 59 GLU H . . 4.770 4.613 4.585 4.639 . 0 0 "[ . 1 . 2]" 1
52 1 58 ASP HB2 1 59 GLU H . . 4.300 3.645 2.543 4.182 . 0 0 "[ . 1 . 2]" 1
53 1 58 ASP HA 1 59 GLU H . . 3.050 2.308 2.228 2.436 . 0 0 "[ . 1 . 2]" 1
54 1 58 ASP HB3 1 59 GLU H . . 4.300 3.075 2.532 4.120 . 0 0 "[ . 1 . 2]" 1
55 1 59 GLU H 1 59 GLU HB3 . . 3.660 2.728 2.607 2.816 . 0 0 "[ . 1 . 2]" 1
56 1 59 GLU H 1 90 VAL HB . . 4.000 2.936 2.638 3.206 . 0 0 "[ . 1 . 2]" 1
57 1 59 GLU H 1 59 GLU HB2 . . 3.640 2.673 2.536 2.815 . 0 0 "[ . 1 . 2]" 1
58 1 38 THR MG 1 59 GLU H . . 4.380 3.341 3.055 3.703 . 0 0 "[ . 1 . 2]" 1
59 1 59 GLU H 1 90 VAL MG2 . . 4.890 4.181 3.862 4.544 . 0 0 "[ . 1 . 2]" 1
60 1 10 PHE HA 1 94 ASN H . . 4.020 2.890 2.049 3.648 . 0 0 "[ . 1 . 2]" 1
61 1 93 ARG HA 1 94 ASN H . . 3.220 2.177 2.140 2.422 . 0 0 "[ . 1 . 2]" 1
62 1 94 ASN H 1 94 ASN HB2 . . 4.080 2.857 2.196 3.595 . 0 0 "[ . 1 . 2]" 1
63 1 93 ARG HB2 1 94 ASN H . . 4.630 4.006 3.114 4.506 . 0 0 "[ . 1 . 2]" 1
64 1 38 THR HB 1 58 ASP H . . 4.120 3.856 3.489 4.122 0.002 10 0 "[ . 1 . 2]" 1
65 1 58 ASP H 1 58 ASP HB2 . . 3.670 2.661 2.192 3.637 . 0 0 "[ . 1 . 2]" 1
66 1 58 ASP H 1 58 ASP HB3 . . 3.670 3.278 2.375 3.632 . 0 0 "[ . 1 . 2]" 1
67 1 39 VAL HB 1 58 ASP H . . 3.640 2.816 2.539 3.015 . 0 0 "[ . 1 . 2]" 1
68 1 39 VAL MG2 1 58 ASP H . . 3.900 3.118 2.850 3.371 . 0 0 "[ . 1 . 2]" 1
69 1 28 LYS H 1 40 SER HB3 . . 4.380 3.013 2.606 3.223 . 0 0 "[ . 1 . 2]" 1
70 1 62 ASN HA 1 66 THR H . . 4.410 4.106 3.847 4.438 0.028 5 0 "[ . 1 . 2]" 1
71 1 66 THR H 1 66 THR HB . . 2.810 2.575 2.451 2.682 . 0 0 "[ . 1 . 2]" 1
72 1 66 THR H 1 67 PRO HD2 . . 4.780 4.725 4.665 4.787 0.007 11 0 "[ . 1 . 2]" 1
73 1 66 THR H 1 67 PRO HD3 . . 4.780 4.449 4.320 4.604 . 0 0 "[ . 1 . 2]" 1
74 1 63 ILE HB 1 66 THR H . . 4.660 4.226 4.060 4.408 . 0 0 "[ . 1 . 2]" 1
75 1 66 THR H 1 66 THR MG . . 3.940 3.822 3.764 3.860 . 0 0 "[ . 1 . 2]" 1
76 1 66 THR H 1 78 LEU QD . . 4.230 3.242 3.090 3.477 . 0 0 "[ . 1 . 2]" 1
77 1 63 ILE MG 1 66 THR H . . 4.830 4.476 4.340 4.583 . 0 0 "[ . 1 . 2]" 1
78 1 28 LYS H 1 38 THR H . . 3.890 3.100 2.907 3.342 . 0 0 "[ . 1 . 2]" 1
79 1 27 LEU HA 1 28 LYS H . . 3.090 2.447 2.328 2.605 . 0 0 "[ . 1 . 2]" 1
80 1 28 LYS H 1 28 LYS QG . . 3.540 2.712 2.277 3.511 . 0 0 "[ . 1 . 2]" 1
81 1 28 LYS H 1 40 SER H . . 4.250 4.062 3.627 4.261 0.011 15 0 "[ . 1 . 2]" 1
82 1 27 LEU HB3 1 28 LYS H . . 3.590 2.346 2.087 2.600 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLN H 1 92 ARG H . . 3.660 2.793 2.159 3.179 . 0 0 "[ . 1 . 2]" 1
84 1 10 PHE QD 1 11 GLN H . . 4.200 3.831 3.338 4.181 . 0 0 "[ . 1 . 2]" 1
85 1 11 GLN H 1 93 ARG HA . . 4.460 3.952 3.385 4.201 . 0 0 "[ . 1 . 2]" 1
86 1 10 PHE QB 1 11 GLN H . . 3.430 2.630 2.200 2.852 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLN H 1 11 GLN HG3 . . 4.750 4.618 4.321 4.757 0.007 10 0 "[ . 1 . 2]" 1
88 1 11 GLN H 1 11 GLN HG2 . . 4.750 4.412 4.194 4.649 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLN H 1 11 GLN HB3 . . 3.510 2.560 2.348 2.712 . 0 0 "[ . 1 . 2]" 1
90 1 11 GLN H 1 11 GLN HB2 . . 3.550 3.087 2.913 3.258 . 0 0 "[ . 1 . 2]" 1
91 1 11 GLN H 1 91 ARG HB2 . . 4.730 4.154 3.811 4.545 . 0 0 "[ . 1 . 2]" 1
92 1 47 LYS HB3 1 48 ALA H . . 3.930 3.376 2.995 3.865 . 0 0 "[ . 1 . 2]" 1
93 1 48 ALA H 1 49 ALA H . . 3.680 2.891 2.570 3.087 . 0 0 "[ . 1 . 2]" 1
94 1 47 LYS H 1 48 ALA H . . 3.670 2.793 2.387 3.145 . 0 0 "[ . 1 . 2]" 1
95 1 25 PHE QD 1 48 ALA H . . 4.450 4.147 3.919 4.430 . 0 0 "[ . 1 . 2]" 1
96 1 24 GLY HA3 1 48 ALA H . . 4.020 3.921 3.781 4.027 0.007 13 0 "[ . 1 . 2]" 1
97 1 47 LYS HB2 1 48 ALA H . . 3.930 2.424 2.098 2.853 . 0 0 "[ . 1 . 2]" 1
98 1 48 ALA H 1 50 LEU HB2 . . 5.500 5.074 4.806 5.388 . 0 0 "[ . 1 . 2]" 1
99 1 48 ALA H 1 48 ALA MB . . 2.900 2.205 2.088 2.254 . 0 0 "[ . 1 . 2]" 1
100 1 17 LEU QD 1 48 ALA H . . 3.840 3.065 2.699 3.383 . 0 0 "[ . 1 . 2]" 1
101 1 79 ILE H 1 80 LYS H . . 3.740 2.737 2.419 2.980 . 0 0 "[ . 1 . 2]" 1
102 1 79 ILE H 1 79 ILE HG13 . . 3.620 1.967 1.878 2.363 . 0 0 "[ . 1 . 2]" 1
103 1 73 GLN HA 1 77 ILE H . . 4.500 3.666 3.279 3.962 . 0 0 "[ . 1 . 2]" 1
104 1 74 GLU HA 1 77 ILE H . . 4.960 4.030 3.794 4.379 . 0 0 "[ . 1 . 2]" 1
105 1 77 ILE H 1 77 ILE HB . . 3.160 2.531 2.382 2.624 . 0 0 "[ . 1 . 2]" 1
106 1 77 ILE H 1 77 ILE HG13 . . 3.550 2.127 1.953 2.465 . 0 0 "[ . 1 . 2]" 1
107 1 76 LEU HB2 1 77 ILE H . . 4.290 2.430 2.094 2.854 . 0 0 "[ . 1 . 2]" 1
108 1 76 LEU QD 1 77 ILE H . . 4.370 3.915 3.724 4.105 . 0 0 "[ . 1 . 2]" 1
109 1 77 ILE H 1 77 ILE MG . . 4.600 3.761 3.728 3.777 . 0 0 "[ . 1 . 2]" 1
110 1 78 LEU H 1 79 ILE H . . 4.120 2.752 2.655 2.875 . 0 0 "[ . 1 . 2]" 1
111 1 78 LEU HB2 1 79 ILE H . . 4.230 3.492 3.346 3.724 . 0 0 "[ . 1 . 2]" 1
112 1 79 ILE H 1 79 ILE HB . . 3.430 2.637 2.565 2.673 . 0 0 "[ . 1 . 2]" 1
113 1 78 LEU HB3 1 79 ILE H . . 4.390 2.629 2.391 3.115 . 0 0 "[ . 1 . 2]" 1
114 1 79 ILE H 1 79 ILE MG . . 3.880 3.767 3.759 3.810 . 0 0 "[ . 1 . 2]" 1
115 1 13 VAL H 1 92 ARG H . . 5.140 4.748 4.348 5.169 0.029 11 0 "[ . 1 . 2]" 1
116 1 91 ARG H 1 92 ARG H . . 5.440 4.406 4.271 4.489 . 0 0 "[ . 1 . 2]" 1
117 1 91 ARG HA 1 92 ARG H . . 3.200 2.157 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
118 1 11 GLN HB3 1 92 ARG H . . 4.190 3.512 2.884 3.738 . 0 0 "[ . 1 . 2]" 1
119 1 92 ARG H 1 92 ARG HG2 . . 4.270 2.450 1.940 3.652 . 0 0 "[ . 1 . 2]" 1
120 1 91 ARG HB3 1 92 ARG H . . 4.290 4.196 4.078 4.294 0.004 14 0 "[ . 1 . 2]" 1
121 1 92 ARG H 1 92 ARG HG3 . . 4.270 2.841 1.897 3.627 . 0 0 "[ . 1 . 2]" 1
122 1 91 ARG HB2 1 92 ARG H . . 3.880 3.280 3.116 3.462 . 0 0 "[ . 1 . 2]" 1
123 1 40 SER H 1 41 LYS H . . 3.080 2.178 2.013 2.365 . 0 0 "[ . 1 . 2]" 1
124 1 26 THR H 1 41 LYS H . . 3.300 2.890 2.744 2.990 . 0 0 "[ . 1 . 2]" 1
125 1 25 PHE HA 1 41 LYS H . . 4.700 4.614 4.469 4.714 0.014 16 0 "[ . 1 . 2]" 1
126 1 27 LEU HA 1 41 LYS H . . 4.610 4.122 3.930 4.405 . 0 0 "[ . 1 . 2]" 1
127 1 26 THR HA 1 41 LYS H . . 4.930 4.745 4.670 4.870 . 0 0 "[ . 1 . 2]" 1
128 1 39 VAL HA 1 41 LYS H . . 4.290 3.937 3.830 4.111 . 0 0 "[ . 1 . 2]" 1
129 1 26 THR HB 1 41 LYS H . . 3.890 3.883 3.576 4.027 0.137 17 0 "[ . 1 . 2]" 1
130 1 40 SER HB3 1 41 LYS H . . 4.040 3.652 3.530 3.747 . 0 0 "[ . 1 . 2]" 1
131 1 40 SER HB2 1 41 LYS H . . 3.780 3.950 3.783 4.044 0.264 1 0 "[ . 1 . 2]" 1
132 1 41 LYS H 1 41 LYS QB . . 3.030 2.760 2.629 2.864 . 0 0 "[ . 1 . 2]" 1
133 1 41 LYS H 1 56 THR MG . . 3.800 3.405 3.122 3.590 . 0 0 "[ . 1 . 2]" 1
134 1 39 VAL MG1 1 41 LYS H . . 3.260 2.578 2.268 2.849 . 0 0 "[ . 1 . 2]" 1
135 1 39 VAL MG2 1 41 LYS H . . 5.260 4.896 4.711 5.136 . 0 0 "[ . 1 . 2]" 1
136 1 10 PHE H 1 10 PHE QD . . 4.160 2.566 1.897 3.144 . 0 0 "[ . 1 . 2]" 1
137 1 74 GLU HB2 1 75 ALA H . . 4.620 3.774 3.625 3.922 . 0 0 "[ . 1 . 2]" 1
138 1 74 GLU HG3 1 75 ALA H . . 5.300 4.159 3.306 4.658 . 0 0 "[ . 1 . 2]" 1
139 1 74 GLU HB3 1 75 ALA H . . 4.220 2.405 2.261 2.635 . 0 0 "[ . 1 . 2]" 1
140 1 39 VAL H 1 57 GLY H . . 4.110 3.353 3.092 3.570 . 0 0 "[ . 1 . 2]" 1
141 1 39 VAL H 1 58 ASP H . . 4.190 3.581 3.219 3.922 . 0 0 "[ . 1 . 2]" 1
142 1 38 THR HA 1 39 VAL H . . 3.090 2.327 2.223 2.440 . 0 0 "[ . 1 . 2]" 1
143 1 39 VAL H 1 59 GLU HA . . 4.050 3.766 3.463 3.913 . 0 0 "[ . 1 . 2]" 1
144 1 38 THR HB 1 39 VAL H . . 3.220 2.594 2.299 2.908 . 0 0 "[ . 1 . 2]" 1
145 1 39 VAL H 1 39 VAL HB . . 3.370 2.627 2.483 2.715 . 0 0 "[ . 1 . 2]" 1
146 1 38 THR MG 1 39 VAL H . . 3.840 3.630 3.427 3.737 . 0 0 "[ . 1 . 2]" 1
147 1 27 LEU MD2 1 39 VAL H . . 3.550 2.988 2.674 3.292 . 0 0 "[ . 1 . 2]" 1
148 1 14 PRO HA 1 90 VAL H . . 3.920 3.838 3.536 4.135 0.215 20 0 "[ . 1 . 2]" 1
149 1 89 ILE HA 1 90 VAL H . . 3.030 2.184 2.157 2.243 . 0 0 "[ . 1 . 2]" 1
150 1 60 LEU HA 1 90 VAL H . . 4.790 4.731 4.486 5.023 0.233 9 0 "[ . 1 . 2]" 1
151 1 90 VAL H 1 90 VAL HB . . 3.810 3.695 3.654 3.731 . 0 0 "[ . 1 . 2]" 1
152 1 89 ILE HB 1 90 VAL H . . 4.580 4.508 4.476 4.542 . 0 0 "[ . 1 . 2]" 1
153 1 90 VAL H 1 90 VAL MG2 . . 2.930 2.081 1.885 2.268 . 0 0 "[ . 1 . 2]" 1
154 1 90 VAL H 1 90 VAL MG1 . . 3.410 2.588 2.326 2.791 . 0 0 "[ . 1 . 2]" 1
155 1 88 LEU HG 1 89 ILE H . . 5.120 5.170 5.060 5.237 0.117 18 0 "[ . 1 . 2]" 1
156 1 88 LEU HB2 1 89 ILE H . . 3.750 3.769 3.524 3.945 0.195 17 0 "[ . 1 . 2]" 1
157 1 89 ILE H 1 90 VAL H . . 4.130 4.072 3.958 4.139 0.009 14 0 "[ . 1 . 2]" 1
158 1 62 ASN H 1 89 ILE H . . 3.600 3.245 3.131 3.484 . 0 0 "[ . 1 . 2]" 1
159 1 88 LEU HA 1 89 ILE H . . 3.040 2.188 2.159 2.261 . 0 0 "[ . 1 . 2]" 1
160 1 62 ASN HB2 1 89 ILE H . . 4.200 3.791 3.425 4.070 . 0 0 "[ . 1 . 2]" 1
161 1 88 LEU HB3 1 89 ILE H . . 3.700 3.168 2.917 3.318 . 0 0 "[ . 1 . 2]" 1
162 1 89 ILE H 1 89 ILE HB . . 3.940 2.487 2.423 2.569 . 0 0 "[ . 1 . 2]" 1
163 1 89 ILE H 1 89 ILE HG12 . . 4.760 4.468 4.374 4.634 . 0 0 "[ . 1 . 2]" 1
164 1 60 LEU MD2 1 89 ILE H . . 3.350 2.978 2.385 3.299 . 0 0 "[ . 1 . 2]" 1
165 1 89 ILE H 1 89 ILE MD . . 3.360 2.385 2.248 2.632 . 0 0 "[ . 1 . 2]" 1
166 1 88 LEU MD1 1 89 ILE H . . 4.870 5.079 4.854 5.166 0.296 18 0 "[ . 1 . 2]" 1
167 1 84 ARG HB2 1 85 ILE H . . 4.120 3.215 2.368 3.775 . 0 0 "[ . 1 . 2]" 1
168 1 84 ARG HB3 1 85 ILE H . . 4.120 3.593 2.492 4.096 . 0 0 "[ . 1 . 2]" 1
169 1 85 ILE H 1 85 ILE HB . . 3.790 2.622 2.514 2.781 . 0 0 "[ . 1 . 2]" 1
170 1 85 ILE H 1 85 ILE QG . . 4.130 2.986 2.751 3.244 . 0 0 "[ . 1 . 2]" 1
171 1 21 ALA H 1 23 TRP HE1 . . 4.330 3.743 3.132 4.075 . 0 0 "[ . 1 . 2]" 1
172 1 21 ALA H 1 23 TRP HH2 . . 5.340 4.135 3.588 4.478 . 0 0 "[ . 1 . 2]" 1
173 1 21 ALA H 1 84 ARG HA . . 4.990 4.540 3.953 4.998 0.008 14 0 "[ . 1 . 2]" 1
174 1 20 GLY HA3 1 21 ALA H . . 3.030 2.928 2.812 3.009 . 0 0 "[ . 1 . 2]" 1
175 1 20 GLY HA2 1 21 ALA H . . 3.000 2.262 2.213 2.342 . 0 0 "[ . 1 . 2]" 1
176 1 21 ALA H 1 21 ALA MB . . 2.740 2.058 2.025 2.124 . 0 0 "[ . 1 . 2]" 1
177 1 18 GLN H 1 18 GLN HB2 . . 3.950 2.837 2.651 2.954 . 0 0 "[ . 1 . 2]" 1
178 1 17 LEU HB3 1 18 GLN H . . 3.880 2.464 2.130 2.858 . 0 0 "[ . 1 . 2]" 1
179 1 18 GLN H 1 19 GLY H . . 4.620 4.244 4.079 4.342 . 0 0 "[ . 1 . 2]" 1
180 1 18 GLN H 1 23 TRP HZ3 . . 4.110 2.802 2.335 3.605 . 0 0 "[ . 1 . 2]" 1
181 1 17 LEU HA 1 18 GLN H . . 2.830 2.405 2.247 2.557 . 0 0 "[ . 1 . 2]" 1
182 1 18 GLN H 1 18 GLN HB3 . . 3.950 3.877 3.682 3.951 0.001 20 0 "[ . 1 . 2]" 1
183 1 17 LEU HB2 1 18 GLN H . . 3.880 3.483 3.125 3.779 . 0 0 "[ . 1 . 2]" 1
184 1 17 LEU QD 1 18 GLN H . . 3.480 3.424 3.017 3.688 0.208 4 0 "[ . 1 . 2]" 1
185 1 59 GLU H 1 91 ARG H . . 3.720 3.164 2.690 3.458 . 0 0 "[ . 1 . 2]" 1
186 1 61 VAL H 1 91 ARG H . . 4.820 4.630 4.428 4.803 . 0 0 "[ . 1 . 2]" 1
187 1 90 VAL HA 1 91 ARG H . . 3.140 2.230 2.174 2.311 . 0 0 "[ . 1 . 2]" 1
188 1 12 TYR HA 1 91 ARG H . . 5.500 4.748 4.389 5.009 . 0 0 "[ . 1 . 2]" 1
189 1 59 GLU HA 1 91 ARG H . . 5.500 4.863 4.565 5.253 . 0 0 "[ . 1 . 2]" 1
190 1 91 ARG H 1 92 ARG HA . . 5.500 5.042 4.874 5.179 . 0 0 "[ . 1 . 2]" 1
191 1 60 LEU HA 1 91 ARG H . . 4.390 4.133 3.840 4.423 0.033 15 0 "[ . 1 . 2]" 1
192 1 59 GLU HB3 1 91 ARG H . . 3.600 2.984 2.650 3.352 . 0 0 "[ . 1 . 2]" 1
193 1 90 VAL HB 1 91 ARG H . . 3.810 2.879 2.615 3.100 . 0 0 "[ . 1 . 2]" 1
194 1 59 GLU HB2 1 91 ARG H . . 4.610 4.390 4.136 4.748 0.138 14 0 "[ . 1 . 2]" 1
195 1 91 ARG H 1 91 ARG HG2 . . 3.930 2.015 1.890 2.343 . 0 0 "[ . 1 . 2]" 1
196 1 91 ARG H 1 91 ARG HB3 . . 4.110 2.989 2.799 3.212 . 0 0 "[ . 1 . 2]" 1
197 1 91 ARG H 1 91 ARG HG3 . . 3.930 3.219 2.545 3.529 . 0 0 "[ . 1 . 2]" 1
198 1 73 GLN H 1 74 GLU H . . 3.920 3.233 3.012 3.422 . 0 0 "[ . 1 . 2]" 1
199 1 73 GLN H 1 73 GLN HG3 . . 4.130 3.901 3.587 4.084 . 0 0 "[ . 1 . 2]" 1
200 1 72 ARG HB3 1 73 GLN H . . 4.070 2.296 2.044 2.773 . 0 0 "[ . 1 . 2]" 1
201 1 72 ARG HB2 1 73 GLN H . . 4.070 3.723 3.497 4.042 . 0 0 "[ . 1 . 2]" 1
202 1 73 GLN H 1 76 LEU QD . . 5.130 4.416 4.022 4.696 . 0 0 "[ . 1 . 2]" 1
203 1 37 LEU MD1 1 73 GLN H . . 5.500 5.212 4.930 5.377 . 0 0 "[ . 1 . 2]" 1
204 1 49 ALA H 1 50 LEU H . . 3.610 2.670 2.540 2.870 . 0 0 "[ . 1 . 2]" 1
205 1 47 LYS HA 1 50 LEU H . . 3.760 3.512 3.267 3.770 0.010 14 0 "[ . 1 . 2]" 1
206 1 50 LEU H 1 50 LEU HB2 . . 2.920 2.365 2.223 2.709 . 0 0 "[ . 1 . 2]" 1
207 1 50 LEU H 1 50 LEU HG . . 3.270 2.511 1.910 2.803 . 0 0 "[ . 1 . 2]" 1
208 1 49 ALA MB 1 50 LEU H . . 2.900 2.505 2.328 2.728 . 0 0 "[ . 1 . 2]" 1
209 1 50 LEU H 1 50 LEU MD1 . . 3.870 3.556 3.256 3.711 . 0 0 "[ . 1 . 2]" 1
210 1 53 LYS H 1 53 LYS HG2 . . 3.550 2.789 2.594 3.008 . 0 0 "[ . 1 . 2]" 1
211 1 15 VAL MG2 1 53 LYS H . . 4.300 3.976 3.635 4.186 . 0 0 "[ . 1 . 2]" 1
212 1 51 SER HA 1 53 LYS H . . 4.870 4.429 4.288 4.593 . 0 0 "[ . 1 . 2]" 1
213 1 52 GLN HA 1 53 LYS H . . 3.510 2.919 2.842 2.975 . 0 0 "[ . 1 . 2]" 1
214 1 51 SER QB 1 53 LYS H . . 3.850 2.684 2.357 3.347 . 0 0 "[ . 1 . 2]" 1
215 1 52 GLN HB2 1 53 LYS H . . 4.280 4.108 4.029 4.191 . 0 0 "[ . 1 . 2]" 1
216 1 53 LYS H 1 53 LYS HB3 . . 3.870 3.676 3.598 3.710 . 0 0 "[ . 1 . 2]" 1
217 1 53 LYS H 1 53 LYS HB2 . . 3.130 2.490 2.346 2.565 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL MG1 1 53 LYS H . . 4.230 3.528 3.319 3.757 . 0 0 "[ . 1 . 2]" 1
219 1 35 GLU H 1 36 PRO HD3 . . 5.050 4.942 4.823 5.033 . 0 0 "[ . 1 . 2]" 1
220 1 34 CYS QB 1 35 GLU H . . 4.500 3.845 3.760 3.935 . 0 0 "[ . 1 . 2]" 1
221 1 35 GLU H 1 35 GLU HB3 . . 4.170 3.614 3.528 3.710 . 0 0 "[ . 1 . 2]" 1
222 1 35 GLU H 1 35 GLU HB2 . . 3.860 2.425 2.293 2.604 . 0 0 "[ . 1 . 2]" 1
223 1 51 SER QB 1 54 MET H . . 4.740 3.907 3.627 4.620 . 0 0 "[ . 1 . 2]" 1
224 1 54 MET H 1 55 ARG H . . 4.570 4.451 4.412 4.488 . 0 0 "[ . 1 . 2]" 1
225 1 53 LYS H 1 54 MET H . . 2.850 2.063 1.921 2.241 . 0 0 "[ . 1 . 2]" 1
226 1 52 GLN H 1 54 MET H . . 4.180 4.068 3.954 4.180 . 0 0 "[ . 1 . 2]" 1
227 1 52 GLN HA 1 54 MET H . . 4.300 3.858 3.695 3.992 . 0 0 "[ . 1 . 2]" 1
228 1 54 MET H 1 54 MET HG3 . . 4.070 2.603 2.490 2.725 . 0 0 "[ . 1 . 2]" 1
229 1 54 MET H 1 54 MET HG2 . . 4.070 2.316 2.188 2.433 . 0 0 "[ . 1 . 2]" 1
230 1 53 LYS HB3 1 54 MET H . . 4.090 3.851 3.676 3.977 . 0 0 "[ . 1 . 2]" 1
231 1 54 MET H 1 54 MET HB2 . . 3.830 3.719 3.662 3.781 . 0 0 "[ . 1 . 2]" 1
232 1 54 MET H 1 54 MET HB3 . . 3.420 3.376 3.303 3.419 . 0 0 "[ . 1 . 2]" 1
233 1 53 LYS HB2 1 54 MET H . . 3.700 2.907 2.746 3.120 . 0 0 "[ . 1 . 2]" 1
234 1 15 VAL MG1 1 54 MET H . . 4.240 3.424 3.136 3.591 . 0 0 "[ . 1 . 2]" 1
235 1 15 VAL MG2 1 54 MET H . . 4.330 3.295 2.992 3.609 . 0 0 "[ . 1 . 2]" 1
236 1 46 GLY H 1 47 LYS H . . 4.830 4.500 4.098 4.637 . 0 0 "[ . 1 . 2]" 1
237 1 24 GLY HA3 1 47 LYS H . . 4.310 3.998 3.650 4.314 0.004 10 0 "[ . 1 . 2]" 1
238 1 47 LYS H 1 47 LYS HB2 . . 3.860 2.475 2.251 2.686 . 0 0 "[ . 1 . 2]" 1
239 1 47 LYS H 1 47 LYS HB3 . . 3.860 3.581 3.531 3.662 . 0 0 "[ . 1 . 2]" 1
240 1 47 LYS H 1 47 LYS HD3 . . 4.060 3.411 2.611 4.284 0.224 1 0 "[ . 1 . 2]" 1
241 1 47 LYS H 1 47 LYS HG3 . . 4.140 3.518 3.266 3.689 . 0 0 "[ . 1 . 2]" 1
242 1 47 LYS H 1 47 LYS HD2 . . 4.060 3.560 2.022 4.850 0.790 12 4 "[ *. 1 + .* - 2]" 1
243 1 47 LYS H 1 47 LYS HG2 . . 4.140 2.755 1.914 4.086 . 0 0 "[ . 1 . 2]" 1
244 1 31 LEU QB 1 33 HIS H . . 5.500 5.039 4.569 5.484 . 0 0 "[ . 1 . 2]" 1
245 1 31 LEU HG 1 33 HIS H . . 5.500 4.949 4.374 5.399 . 0 0 "[ . 1 . 2]" 1
246 1 25 PHE H 1 26 THR H . . 4.320 4.301 4.162 4.631 0.311 8 0 "[ . 1 . 2]" 1
247 1 24 GLY H 1 25 PHE H . . 3.150 2.393 2.118 2.876 . 0 0 "[ . 1 . 2]" 1
248 1 25 PHE H 1 25 PHE QD . . 3.380 3.113 2.476 3.381 0.001 4 0 "[ . 1 . 2]" 1
249 1 25 PHE H 1 25 PHE HB2 . . 4.090 3.941 3.538 4.039 . 0 0 "[ . 1 . 2]" 1
250 1 25 PHE H 1 25 PHE HB3 . . 3.850 3.062 2.260 3.279 . 0 0 "[ . 1 . 2]" 1
251 1 25 PHE H 1 48 ALA MB . . 4.140 3.752 2.300 4.066 . 0 0 "[ . 1 . 2]" 1
252 1 25 PHE H 1 42 ILE MG . . 5.140 4.550 3.523 4.864 . 0 0 "[ . 1 . 2]" 1
253 1 30 GLY H 1 38 THR H . . 4.830 4.886 4.387 5.096 0.266 17 0 "[ . 1 . 2]" 1
254 1 37 LEU HA 1 38 THR H . . 3.100 2.210 2.161 2.263 . 0 0 "[ . 1 . 2]" 1
255 1 38 THR H 1 38 THR HB . . 4.100 3.788 3.709 3.866 . 0 0 "[ . 1 . 2]" 1
256 1 37 LEU HB2 1 38 THR H . . 4.690 4.580 4.539 4.612 . 0 0 "[ . 1 . 2]" 1
257 1 27 LEU HB3 1 38 THR H . . 4.570 3.994 3.562 4.398 . 0 0 "[ . 1 . 2]" 1
258 1 37 LEU HG 1 38 THR H . . 4.270 3.831 3.579 4.066 . 0 0 "[ . 1 . 2]" 1
259 1 28 LYS QG 1 38 THR H . . 4.530 3.348 2.792 4.057 . 0 0 "[ . 1 . 2]" 1
260 1 37 LEU HB3 1 38 THR H . . 4.970 4.320 4.226 4.392 . 0 0 "[ . 1 . 2]" 1
261 1 37 LEU MD1 1 38 THR H . . 3.490 3.612 3.251 3.710 0.220 17 0 "[ . 1 . 2]" 1
262 1 28 LYS QD 1 38 THR H . . 5.500 4.350 2.454 5.169 . 0 0 "[ . 1 . 2]" 1
263 1 36 PRO HB2 1 38 THR H . . 5.500 4.733 4.390 5.093 . 0 0 "[ . 1 . 2]" 1
264 1 76 LEU H 1 77 ILE H . . 3.720 2.955 2.837 3.102 . 0 0 "[ . 1 . 2]" 1
265 1 75 ALA H 1 76 LEU H . . 3.850 3.185 3.054 3.250 . 0 0 "[ . 1 . 2]" 1
266 1 76 LEU H 1 76 LEU HG . . 3.320 1.963 1.895 2.159 . 0 0 "[ . 1 . 2]" 1
267 1 75 ALA MB 1 76 LEU H . . 3.370 2.058 1.873 2.147 . 0 0 "[ . 1 . 2]" 1
268 1 76 LEU H 1 76 LEU QD . . 2.600 2.895 2.734 3.044 0.444 17 0 "[ . 1 . 2]" 1
269 1 27 LEU MD1 1 76 LEU H . . 4.480 3.710 3.448 4.035 . 0 0 "[ . 1 . 2]" 1
270 1 37 LEU MD2 1 76 LEU H . . 5.000 4.503 4.258 4.813 . 0 0 "[ . 1 . 2]" 1
271 1 32 GLU H 1 33 HIS H . . 4.490 2.910 2.732 3.083 . 0 0 "[ . 1 . 2]" 1
272 1 33 HIS H 1 35 GLU H . . 4.220 3.248 2.964 3.471 . 0 0 "[ . 1 . 2]" 1
273 1 33 HIS H 1 33 HIS HD2 . . 4.500 3.658 2.807 4.395 . 0 0 "[ . 1 . 2]" 1
274 1 30 GLY HA2 1 33 HIS H . . 5.280 4.893 4.643 5.052 . 0 0 "[ . 1 . 2]" 1
275 1 33 HIS H 1 33 HIS HB2 . . 3.830 2.487 2.289 2.658 . 0 0 "[ . 1 . 2]" 1
276 1 33 HIS H 1 33 HIS HB3 . . 3.830 3.672 3.532 3.785 . 0 0 "[ . 1 . 2]" 1
277 1 56 THR H 1 57 GLY H . . 4.720 4.389 4.299 4.528 . 0 0 "[ . 1 . 2]" 1
278 1 55 ARG H 1 56 THR H . . 4.630 4.352 4.192 4.410 . 0 0 "[ . 1 . 2]" 1
279 1 55 ARG HA 1 56 THR H . . 2.710 2.383 2.232 2.647 . 0 0 "[ . 1 . 2]" 1
280 1 41 LYS HA 1 56 THR H . . 5.500 5.347 4.993 5.505 0.005 9 0 "[ . 1 . 2]" 1
281 1 56 THR H 1 56 THR HB . . 3.650 3.620 3.596 3.650 . 17 0 "[ . 1 . 2]" 1
282 1 55 ARG HB2 1 56 THR H . . 4.090 3.718 2.668 4.110 0.020 5 0 "[ . 1 . 2]" 1
283 1 55 ARG HB3 1 56 THR H . . 4.090 3.149 1.973 4.194 0.104 19 0 "[ . 1 . 2]" 1
284 1 42 ILE HG13 1 56 THR H . . 4.870 3.916 3.687 4.311 . 0 0 "[ . 1 . 2]" 1
285 1 39 VAL MG1 1 56 THR H . . 3.910 3.038 2.600 3.307 . 0 0 "[ . 1 . 2]" 1
286 1 42 ILE MD 1 56 THR H . . 3.230 2.491 2.107 2.888 . 0 0 "[ . 1 . 2]" 1
287 1 33 HIS H 1 34 CYS H . . 3.130 2.538 1.944 2.952 . 0 0 "[ . 1 . 2]" 1
288 1 34 CYS H 1 35 GLU H . . 3.530 2.817 2.485 3.031 . 0 0 "[ . 1 . 2]" 1
289 1 33 HIS HA 1 34 CYS H . . 3.450 2.989 2.761 3.261 . 0 0 "[ . 1 . 2]" 1
290 1 31 LEU HA 1 34 CYS H . . 3.630 3.134 2.640 3.567 . 0 0 "[ . 1 . 2]" 1
291 1 34 CYS H 1 34 CYS HA . . 2.930 2.289 2.272 2.316 . 0 0 "[ . 1 . 2]" 1
292 1 33 HIS HB2 1 34 CYS H . . 4.720 4.015 3.582 4.285 . 0 0 "[ . 1 . 2]" 1
293 1 34 CYS H 1 34 CYS QB . . 3.590 3.023 2.686 3.371 . 0 0 "[ . 1 . 2]" 1
294 1 33 HIS HB3 1 34 CYS H . . 4.720 4.354 4.131 4.468 . 0 0 "[ . 1 . 2]" 1
295 1 17 LEU QD 1 51 SER H . . 3.590 3.921 3.700 4.156 0.566 2 4 "[ + ** 1 - 2]" 1
296 1 57 GLY H 1 58 ASP H . . 3.400 2.151 1.826 2.626 . 0 0 "[ . 1 . 2]" 1
297 1 56 THR HA 1 57 GLY H . . 2.820 2.165 2.146 2.193 . 0 0 "[ . 1 . 2]" 1
298 1 39 VAL HB 1 57 GLY H . . 3.760 1.955 1.898 2.156 . 0 0 "[ . 1 . 2]" 1
299 1 56 THR MG 1 57 GLY H . . 4.150 4.002 3.784 4.111 . 0 0 "[ . 1 . 2]" 1
300 1 38 THR MG 1 57 GLY H . . 4.780 4.748 4.548 4.905 0.125 13 0 "[ . 1 . 2]" 1
301 1 39 VAL MG1 1 57 GLY H . . 3.800 3.347 3.183 3.552 . 0 0 "[ . 1 . 2]" 1
302 1 25 PHE QD 1 26 THR H . . 3.880 3.234 2.985 3.554 . 0 0 "[ . 1 . 2]" 1
303 1 25 PHE HA 1 26 THR H . . 3.010 2.212 2.157 2.270 . 0 0 "[ . 1 . 2]" 1
304 1 26 THR H 1 42 ILE HA . . 4.080 3.471 3.178 3.600 . 0 0 "[ . 1 . 2]" 1
305 1 25 PHE HB2 1 26 THR H . . 3.430 3.073 2.875 3.296 . 0 0 "[ . 1 . 2]" 1
306 1 25 PHE HB3 1 26 THR H . . 4.390 4.232 4.124 4.338 . 0 0 "[ . 1 . 2]" 1
307 1 26 THR H 1 41 LYS QB . . 4.000 4.114 3.780 4.385 0.385 7 0 "[ . 1 . 2]" 1
308 1 26 THR H 1 48 ALA MB . . 5.500 5.150 4.993 5.244 . 0 0 "[ . 1 . 2]" 1
309 1 26 THR H 1 26 THR MG . . 3.600 3.261 3.083 3.506 . 0 0 "[ . 1 . 2]" 1
310 1 26 THR H 1 39 VAL MG1 . . 3.590 3.045 2.739 3.276 . 0 0 "[ . 1 . 2]" 1
311 1 50 LEU H 1 51 SER H . . 3.270 2.811 2.666 2.944 . 0 0 "[ . 1 . 2]" 1
312 1 51 SER H 1 51 SER QB . . 3.030 2.279 2.164 2.468 . 0 0 "[ . 1 . 2]" 1
313 1 50 LEU HB2 1 51 SER H . . 3.640 2.742 2.406 3.016 . 0 0 "[ . 1 . 2]" 1
314 1 50 LEU HB3 1 51 SER H . . 3.570 3.492 3.172 3.747 0.177 10 0 "[ . 1 . 2]" 1
315 1 50 LEU H 1 52 GLN H . . 4.500 4.270 4.074 4.383 . 0 0 "[ . 1 . 2]" 1
316 1 52 GLN H 1 53 LYS H . . 3.260 2.662 2.615 2.740 . 0 0 "[ . 1 . 2]" 1
317 1 51 SER H 1 52 GLN H . . 3.130 2.679 2.524 2.771 . 0 0 "[ . 1 . 2]" 1
318 1 52 GLN H 1 53 LYS HA . . 5.500 5.278 5.237 5.329 . 0 0 "[ . 1 . 2]" 1
319 1 52 GLN H 1 52 GLN HA . . 2.620 2.274 2.273 2.276 . 0 0 "[ . 1 . 2]" 1
320 1 51 SER QB 1 52 GLN H . . 3.720 2.790 2.564 3.495 . 0 0 "[ . 1 . 2]" 1
321 1 52 GLN H 1 52 GLN QG . . 3.100 2.807 2.696 2.938 . 0 0 "[ . 1 . 2]" 1
322 1 49 ALA MB 1 52 GLN H . . 5.160 4.451 4.381 4.599 . 0 0 "[ . 1 . 2]" 1
323 1 52 GLN H 1 53 LYS HG2 . . 5.500 4.445 4.207 4.775 . 0 0 "[ . 1 . 2]" 1
324 1 52 GLN H 1 53 LYS HB2 . . 5.020 4.875 4.704 4.988 . 0 0 "[ . 1 . 2]" 1
325 1 17 LEU QD 1 52 GLN H . . 4.860 5.175 4.894 5.391 0.531 2 1 "[ + . 1 . 2]" 1
326 1 44 ASP QB 1 45 GLY H . . 3.780 3.472 2.726 3.799 0.019 16 0 "[ . 1 . 2]" 1
327 1 16 GLN HE21 1 85 ILE MG . . 4.110 2.420 1.805 3.154 . 0 0 "[ . 1 . 2]" 1
328 1 16 GLN HE22 1 85 ILE MG . . 4.110 3.745 3.145 4.039 . 0 0 "[ . 1 . 2]" 1
329 1 29 GLY H 1 30 GLY H . . 4.680 4.571 4.486 4.634 . 0 0 "[ . 1 . 2]" 1
330 1 30 GLY H 1 37 LEU HA . . 3.910 3.325 3.037 3.505 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLY QA 1 30 GLY H . . 3.230 2.129 2.113 2.167 . 0 0 "[ . 1 . 2]" 1
332 1 30 GLY H 1 37 LEU HB2 . . 4.610 3.997 3.761 4.141 . 0 0 "[ . 1 . 2]" 1
333 1 30 GLY H 1 35 GLU HB3 . . 3.970 2.848 2.533 3.222 . 0 0 "[ . 1 . 2]" 1
334 1 30 GLY H 1 35 GLU HB2 . . 3.730 2.448 2.032 2.687 . 0 0 "[ . 1 . 2]" 1
335 1 28 LYS QG 1 30 GLY H . . 5.020 5.042 4.651 5.432 0.412 6 0 "[ . 1 . 2]" 1
336 1 30 GLY H 1 37 LEU MD1 . . 4.000 3.270 2.791 3.536 . 0 0 "[ . 1 . 2]" 1
337 1 30 GLY H 1 35 GLU H . . 4.370 3.178 2.781 3.655 . 0 0 "[ . 1 . 2]" 1
338 1 20 GLY H 1 21 ALA H . . 4.560 4.176 4.088 4.286 . 0 0 "[ . 1 . 2]" 1
339 1 20 GLY H 1 23 TRP HE3 . . 4.010 4.360 4.202 4.490 0.480 20 0 "[ . 1 . 2]" 1
340 1 20 GLY H 1 23 TRP HZ3 . . 3.710 2.528 2.202 2.787 . 0 0 "[ . 1 . 2]" 1
341 1 18 GLN HA 1 20 GLY H . . 3.960 3.750 3.607 3.892 . 0 0 "[ . 1 . 2]" 1
342 1 20 GLY H 1 84 ARG HA . . 3.920 3.732 3.332 4.079 0.159 14 0 "[ . 1 . 2]" 1
343 1 23 TRP HE1 1 79 ILE HA . . 5.500 4.387 4.055 4.687 . 0 0 "[ . 1 . 2]" 1
344 1 21 ALA HA 1 23 TRP HE1 . . 4.760 4.119 3.734 4.470 . 0 0 "[ . 1 . 2]" 1
345 1 23 TRP HE1 1 79 ILE MG . . 3.370 2.648 2.333 3.033 . 0 0 "[ . 1 . 2]" 1
346 1 23 TRP HE1 1 86 LEU HB2 . . 5.130 3.915 3.234 4.302 . 0 0 "[ . 1 . 2]" 1
347 1 23 TRP HE1 1 86 LEU QD . . 4.170 2.207 1.821 3.013 . 0 0 "[ . 1 . 2]" 1
348 1 17 LEU H 1 86 LEU H . . 3.930 2.985 2.799 3.246 . 0 0 "[ . 1 . 2]" 1
349 1 23 TRP HZ3 1 86 LEU H . . 4.630 3.841 3.045 4.333 . 0 0 "[ . 1 . 2]" 1
350 1 18 GLN HA 1 86 LEU H . . 4.140 3.887 3.689 4.046 . 0 0 "[ . 1 . 2]" 1
351 1 85 ILE HA 1 86 LEU H . . 3.000 2.171 2.147 2.205 . 0 0 "[ . 1 . 2]" 1
352 1 85 ILE HB 1 86 LEU H . . 4.160 4.174 4.015 4.292 0.132 9 0 "[ . 1 . 2]" 1
353 1 17 LEU HG 1 86 LEU H . . 5.410 4.161 3.738 4.556 . 0 0 "[ . 1 . 2]" 1
354 1 85 ILE MG 1 86 LEU H . . 3.330 2.263 1.967 2.613 . 0 0 "[ . 1 . 2]" 1
355 1 86 LEU H 1 86 LEU HG . . 4.560 4.597 4.574 4.634 0.074 2 0 "[ . 1 . 2]" 1
356 1 86 LEU H 1 86 LEU HB2 . . 3.640 2.611 2.479 2.775 . 0 0 "[ . 1 . 2]" 1
357 1 86 LEU H 1 86 LEU HB3 . . 3.930 2.865 2.698 2.940 . 0 0 "[ . 1 . 2]" 1
358 1 23 TRP HH2 1 86 LEU H . . 4.270 3.061 2.640 3.419 . 0 0 "[ . 1 . 2]" 1
359 1 19 GLY H 1 20 GLY H . . 3.260 2.768 2.436 3.140 . 0 0 "[ . 1 . 2]" 1
360 1 18 GLN HA 1 19 GLY H . . 3.120 2.190 2.145 2.247 . 0 0 "[ . 1 . 2]" 1
361 1 18 GLN QG 1 19 GLY H . . 4.020 3.973 3.659 4.023 0.003 7 0 "[ . 1 . 2]" 1
362 1 18 GLN HB3 1 19 GLY H . . 4.170 3.121 2.863 3.414 . 0 0 "[ . 1 . 2]" 1
363 1 19 GLY H 1 85 ILE HA . . 4.200 3.589 3.295 3.893 . 0 0 "[ . 1 . 2]" 1
364 1 19 GLY H 1 20 GLY HA3 . . 4.840 4.614 4.447 4.800 . 0 0 "[ . 1 . 2]" 1
365 1 19 GLY H 1 85 ILE MG . . 5.500 4.963 4.689 5.194 . 0 0 "[ . 1 . 2]" 1
366 1 19 GLY H 1 85 ILE MD . . 5.500 4.608 4.328 4.917 . 0 0 "[ . 1 . 2]" 1
367 1 59 GLU HA 1 60 LEU H . . 3.420 2.178 2.140 2.333 . 0 0 "[ . 1 . 2]" 1
368 1 59 GLU HB3 1 60 LEU H . . 4.630 4.265 3.873 4.413 . 0 0 "[ . 1 . 2]" 1
369 1 59 GLU HB2 1 60 LEU H . . 4.640 4.527 4.345 4.640 0.000 14 0 "[ . 1 . 2]" 1
370 1 60 LEU H 1 60 LEU HG . . 4.510 4.336 4.141 4.450 . 0 0 "[ . 1 . 2]" 1
371 1 60 LEU H 1 60 LEU HB3 . . 3.820 2.847 2.816 2.910 . 0 0 "[ . 1 . 2]" 1
372 1 27 LEU MD2 1 60 LEU H . . 4.380 3.225 2.740 3.512 . 0 0 "[ . 1 . 2]" 1
373 1 60 LEU H 1 60 LEU MD1 . . 4.310 4.231 4.073 4.375 0.065 9 0 "[ . 1 . 2]" 1
374 1 60 LEU H 1 90 VAL MG1 . . 4.670 3.544 3.220 4.192 . 0 0 "[ . 1 . 2]" 1
375 1 28 LYS HA 1 29 GLY H . . 3.120 2.524 2.384 2.651 . 0 0 "[ . 1 . 2]" 1
376 1 28 LYS HB3 1 29 GLY H . . 3.860 3.728 3.577 3.839 . 0 0 "[ . 1 . 2]" 1
377 1 28 LYS QD 1 29 GLY H . . 4.280 3.768 3.463 4.174 . 0 0 "[ . 1 . 2]" 1
378 1 28 LYS QG 1 29 GLY H . . 3.830 3.145 2.434 3.625 . 0 0 "[ . 1 . 2]" 1
379 1 43 GLU H 1 43 GLU HB3 . . 3.740 3.598 3.585 3.622 . 0 0 "[ . 1 . 2]" 1
380 1 41 LYS QD 1 43 GLU H . . 4.940 3.374 2.443 4.234 . 0 0 "[ . 1 . 2]" 1
381 1 43 GLU H 1 49 ALA MB . . 5.500 4.864 4.413 5.182 . 0 0 "[ . 1 . 2]" 1
382 1 25 PHE HA 1 43 GLU H . . 4.050 3.456 3.273 3.673 . 0 0 "[ . 1 . 2]" 1
383 1 42 ILE HA 1 43 GLU H . . 3.100 2.164 2.141 2.233 . 0 0 "[ . 1 . 2]" 1
384 1 43 GLU H 1 43 GLU HB2 . . 3.450 2.604 2.446 2.755 . 0 0 "[ . 1 . 2]" 1
385 1 42 ILE HB 1 43 GLU H . . 4.440 4.396 4.279 4.500 0.060 15 0 "[ . 1 . 2]" 1
386 1 45 GLY H 1 46 GLY H . . 3.750 2.486 2.017 2.917 . 0 0 "[ . 1 . 2]" 1
387 1 44 ASP QB 1 46 GLY H . . 4.770 4.901 4.581 5.075 0.305 9 0 "[ . 1 . 2]" 1
388 1 43 GLU QG 1 46 GLY H . . 4.850 5.053 4.316 5.270 0.420 16 0 "[ . 1 . 2]" 1
389 1 43 GLU HB2 1 46 GLY H . . 4.180 3.290 2.402 3.594 . 0 0 "[ . 1 . 2]" 1
390 1 46 GLY H 1 49 ALA MB . . 3.220 2.767 1.888 3.206 . 0 0 "[ . 1 . 2]" 1
391 1 42 ILE MG 1 46 GLY H . . 4.510 4.435 3.870 4.741 0.231 1 0 "[ . 1 . 2]" 1
392 1 49 ALA H 1 51 SER H . . 5.130 4.087 3.888 4.341 . 0 0 "[ . 1 . 2]" 1
393 1 49 ALA H 1 50 LEU HB2 . . 5.360 4.598 4.395 4.996 . 0 0 "[ . 1 . 2]" 1
394 1 49 ALA H 1 50 LEU HG . . 5.500 4.805 3.906 5.423 . 0 0 "[ . 1 . 2]" 1
395 1 49 ALA H 1 49 ALA MB . . 3.120 2.103 2.027 2.254 . 0 0 "[ . 1 . 2]" 1
396 1 42 ILE MG 1 49 ALA H . . 3.550 2.858 2.560 3.043 . 0 0 "[ . 1 . 2]" 1
397 1 16 GLN HA 1 17 LEU H . . 3.080 2.170 2.142 2.235 . 0 0 "[ . 1 . 2]" 1
398 1 17 LEU H 1 17 LEU HG . . 3.740 2.254 1.937 2.529 . 0 0 "[ . 1 . 2]" 1
399 1 17 LEU H 1 17 LEU QD . . 4.170 3.073 2.689 3.214 . 0 0 "[ . 1 . 2]" 1
400 1 17 LEU H 1 86 LEU HB2 . . 5.060 4.241 4.157 4.411 . 0 0 "[ . 1 . 2]" 1
401 1 17 LEU H 1 86 LEU HG . . 5.060 5.133 4.419 5.320 0.260 17 0 "[ . 1 . 2]" 1
402 1 86 LEU HG 1 87 LYS H . . 4.310 2.410 2.106 2.687 . 0 0 "[ . 1 . 2]" 1
403 1 64 ASN H 1 65 GLY H . . 3.480 2.693 2.625 2.760 . 0 0 "[ . 1 . 2]" 1
404 1 63 ILE HA 1 65 GLY H . . 4.170 3.621 3.444 3.861 . 0 0 "[ . 1 . 2]" 1
405 1 64 ASN HA 1 65 GLY H . . 3.080 2.944 2.837 2.989 . 0 0 "[ . 1 . 2]" 1
406 1 65 GLY H 1 87 LYS HB2 . . 4.290 3.470 3.031 3.776 . 0 0 "[ . 1 . 2]" 1
407 1 65 GLY H 1 89 ILE MD . . 4.120 3.924 3.694 4.121 0.001 4 0 "[ . 1 . 2]" 1
408 1 87 LYS H 1 87 LYS HB3 . . 3.880 3.738 3.609 3.801 . 0 0 "[ . 1 . 2]" 1
409 1 64 ASN H 1 87 LYS H . . 4.250 3.035 2.646 3.200 . 0 0 "[ . 1 . 2]" 1
410 1 86 LEU HA 1 87 LYS H . . 3.000 2.227 2.173 2.318 . 0 0 "[ . 1 . 2]" 1
411 1 64 ASN HA 1 87 LYS H . . 4.210 2.445 2.003 2.841 . 0 0 "[ . 1 . 2]" 1
412 1 87 LYS H 1 87 LYS HB2 . . 3.570 2.593 2.482 2.679 . 0 0 "[ . 1 . 2]" 1
413 1 87 LYS H 1 87 LYS HG3 . . 4.330 3.350 3.080 4.314 . 0 0 "[ . 1 . 2]" 1
414 1 85 ILE MG 1 87 LYS H . . 4.190 4.400 4.215 4.458 0.268 9 0 "[ . 1 . 2]" 1
415 1 87 LYS H 1 88 LEU MD2 . . 4.070 3.126 2.835 3.383 . 0 0 "[ . 1 . 2]" 1
416 1 86 LEU HB3 1 87 LYS H . . 4.710 3.651 3.571 3.761 . 0 0 "[ . 1 . 2]" 1
417 1 23 TRP H 1 24 GLY H . . 4.240 2.357 2.074 2.631 . 0 0 "[ . 1 . 2]" 1
418 1 24 GLY H 1 25 PHE QD . . 4.620 3.736 3.396 4.233 . 0 0 "[ . 1 . 2]" 1
419 1 23 TRP HB2 1 24 GLY H . . 4.620 2.471 2.359 2.761 . 0 0 "[ . 1 . 2]" 1
420 1 23 TRP HB3 1 24 GLY H . . 4.620 3.660 3.542 3.853 . 0 0 "[ . 1 . 2]" 1
421 1 22 PRO HB3 1 24 GLY H . . 4.820 4.805 4.441 4.943 0.123 1 0 "[ . 1 . 2]" 1
422 1 22 PRO HB2 1 24 GLY H . . 3.970 3.636 3.210 3.810 . 0 0 "[ . 1 . 2]" 1
423 1 24 GLY H 1 43 GLU HB2 . . 5.150 4.827 4.365 5.150 0.000 8 0 "[ . 1 . 2]" 1
424 1 12 TYR H 1 13 VAL H . . 4.420 4.303 4.003 4.455 0.035 8 0 "[ . 1 . 2]" 1
425 1 13 VAL H 1 90 VAL H . . 3.810 3.319 3.028 3.661 . 0 0 "[ . 1 . 2]" 1
426 1 12 TYR QD 1 13 VAL H . . 4.810 4.400 3.903 4.825 0.015 16 0 "[ . 1 . 2]" 1
427 1 13 VAL H 1 91 ARG HA . . 3.910 3.723 3.386 4.159 0.249 18 0 "[ . 1 . 2]" 1
428 1 12 TYR HA 1 13 VAL H . . 3.000 2.169 2.138 2.246 . 0 0 "[ . 1 . 2]" 1
429 1 12 TYR HB2 1 13 VAL H . . 4.610 4.351 4.093 4.509 . 0 0 "[ . 1 . 2]" 1
430 1 12 TYR HB3 1 13 VAL H . . 4.050 3.563 3.086 4.007 . 0 0 "[ . 1 . 2]" 1
431 1 13 VAL H 1 13 VAL HB . . 3.390 2.895 2.388 3.881 0.491 11 0 "[ . 1 . 2]" 1
432 1 13 VAL H 1 90 VAL MG2 . . 3.250 2.756 2.427 3.093 . 0 0 "[ . 1 . 2]" 1
433 1 26 THR HB 1 40 SER H . . 4.760 4.211 3.929 4.589 . 0 0 "[ . 1 . 2]" 1
434 1 26 THR H 1 40 SER H . . 4.480 3.745 3.571 3.933 . 0 0 "[ . 1 . 2]" 1
435 1 27 LEU HA 1 40 SER H . . 3.680 2.205 1.969 2.551 . 0 0 "[ . 1 . 2]" 1
436 1 39 VAL HA 1 40 SER H . . 3.100 2.157 2.140 2.194 . 0 0 "[ . 1 . 2]" 1
437 1 40 SER H 1 40 SER HB3 . . 3.870 2.576 2.473 2.701 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU HG 1 40 SER H . . 4.700 4.351 4.127 4.647 . 0 0 "[ . 1 . 2]" 1
439 1 40 SER H 1 41 LYS QB . . 5.160 4.534 4.400 4.723 . 0 0 "[ . 1 . 2]" 1
440 1 40 SER H 1 56 THR MG . . 4.740 4.153 3.903 4.426 . 0 0 "[ . 1 . 2]" 1
441 1 39 VAL MG2 1 40 SER H . . 4.090 3.982 3.852 4.056 . 0 0 "[ . 1 . 2]" 1
442 1 64 ASN H 1 87 LYS HB3 . . 4.770 4.510 4.114 4.773 0.003 11 0 "[ . 1 . 2]" 1
443 1 64 ASN H 1 87 LYS HB2 . . 4.140 3.686 3.335 3.993 . 0 0 "[ . 1 . 2]" 1
444 1 63 ILE HB 1 64 ASN H . . 4.660 4.239 4.096 4.335 . 0 0 "[ . 1 . 2]" 1
445 1 64 ASN H 1 88 LEU MD2 . . 3.800 2.301 1.866 2.685 . 0 0 "[ . 1 . 2]" 1
446 1 11 GLN HB3 1 12 TYR H . . 4.590 4.232 3.983 4.498 . 0 0 "[ . 1 . 2]" 1
447 1 12 TYR H 1 89 ILE MG . . 5.500 5.006 4.734 5.279 . 0 0 "[ . 1 . 2]" 1
448 1 12 TYR H 1 12 TYR QD . . 3.610 2.503 2.030 2.929 . 0 0 "[ . 1 . 2]" 1
449 1 12 TYR H 1 12 TYR HB2 . . 3.430 2.461 2.363 2.606 . 0 0 "[ . 1 . 2]" 1
450 1 12 TYR H 1 12 TYR HB3 . . 3.730 3.661 3.607 3.754 0.024 11 0 "[ . 1 . 2]" 1
451 1 11 GLN HB2 1 12 TYR H . . 4.620 4.193 3.974 4.335 . 0 0 "[ . 1 . 2]" 1
452 1 79 ILE HA 1 81 GLY H . . 4.580 3.907 3.538 4.246 . 0 0 "[ . 1 . 2]" 1
453 1 79 ILE H 1 81 GLY H . . 4.470 4.268 3.838 4.567 0.097 5 0 "[ . 1 . 2]" 1
454 1 80 LYS H 1 81 GLY H . . 3.370 2.961 2.808 3.113 . 0 0 "[ . 1 . 2]" 1
455 1 80 LYS QB 1 81 GLY H . . 3.340 2.789 2.401 3.372 0.032 14 0 "[ . 1 . 2]" 1
456 1 77 ILE MG 1 81 GLY H . . 5.380 4.640 4.011 5.030 . 0 0 "[ . 1 . 2]" 1
457 1 42 ILE H 1 43 GLU H . . 4.440 3.999 3.791 4.194 . 0 0 "[ . 1 . 2]" 1
458 1 41 LYS H 1 42 ILE H . . 4.580 4.286 4.187 4.350 . 0 0 "[ . 1 . 2]" 1
459 1 41 LYS HA 1 42 ILE H . . 2.800 2.237 2.199 2.284 . 0 0 "[ . 1 . 2]" 1
460 1 42 ILE H 1 42 ILE HB . . 2.940 2.750 2.655 2.825 . 0 0 "[ . 1 . 2]" 1
461 1 41 LYS QD 1 42 ILE H . . 4.090 2.333 1.874 2.956 . 0 0 "[ . 1 . 2]" 1
462 1 42 ILE H 1 42 ILE HG13 . . 3.730 3.092 2.880 3.199 . 0 0 "[ . 1 . 2]" 1
463 1 41 LYS HG2 1 42 ILE H . . 3.800 3.053 1.997 4.135 0.335 11 0 "[ . 1 . 2]" 1
464 1 41 LYS HG3 1 42 ILE H . . 3.800 3.374 2.712 4.085 0.285 6 0 "[ . 1 . 2]" 1
465 1 42 ILE H 1 56 THR MG . . 3.910 2.933 2.505 3.262 . 0 0 "[ . 1 . 2]" 1
466 1 39 VAL MG1 1 42 ILE H . . 4.480 4.067 3.881 4.231 . 0 0 "[ . 1 . 2]" 1
467 1 42 ILE H 1 42 ILE MG . . 4.730 3.870 3.830 3.900 . 0 0 "[ . 1 . 2]" 1
468 1 42 ILE H 1 42 ILE MD . . 4.500 4.193 3.970 4.270 . 0 0 "[ . 1 . 2]" 1
469 1 63 ILE H 1 68 LEU H . . 4.860 4.111 3.636 4.572 . 0 0 "[ . 1 . 2]" 1
470 1 63 ILE H 1 66 THR MG . . 4.350 4.197 4.019 4.335 . 0 0 "[ . 1 . 2]" 1
471 1 63 ILE H 1 66 THR H . . 3.400 2.828 2.531 3.077 . 0 0 "[ . 1 . 2]" 1
472 1 62 ASN H 1 63 ILE H . . 4.370 4.247 4.001 4.362 . 0 0 "[ . 1 . 2]" 1
473 1 62 ASN HA 1 63 ILE H . . 2.970 2.142 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
474 1 63 ILE H 1 67 PRO HA . . 4.350 4.186 4.038 4.314 . 0 0 "[ . 1 . 2]" 1
475 1 63 ILE H 1 66 THR HB . . 3.920 3.350 3.029 3.599 . 0 0 "[ . 1 . 2]" 1
476 1 62 ASN HB3 1 63 ILE H . . 4.700 4.100 4.001 4.193 . 0 0 "[ . 1 . 2]" 1
477 1 62 ASN HB2 1 63 ILE H . . 4.700 4.444 4.365 4.493 . 0 0 "[ . 1 . 2]" 1
478 1 63 ILE H 1 63 ILE HB . . 3.380 2.675 2.595 2.751 . 0 0 "[ . 1 . 2]" 1
479 1 63 ILE H 1 68 LEU HG . . 3.890 3.113 2.899 3.285 . 0 0 "[ . 1 . 2]" 1
480 1 63 ILE H 1 63 ILE MD . . 4.210 4.056 3.812 4.199 . 0 0 "[ . 1 . 2]" 1
481 1 63 ILE H 1 63 ILE HG13 . . 4.250 2.881 2.693 3.030 . 0 0 "[ . 1 . 2]" 1
482 1 63 ILE H 1 78 LEU QD . . 4.510 3.322 3.149 3.612 . 0 0 "[ . 1 . 2]" 1
483 1 63 ILE H 1 68 LEU QD . . 3.780 3.160 2.941 3.277 . 0 0 "[ . 1 . 2]" 1
484 1 93 ARG H 1 93 ARG HB3 . . 3.750 3.216 2.270 3.618 . 0 0 "[ . 1 . 2]" 1
485 1 93 ARG H 1 93 ARG HG2 . . 4.150 3.181 1.905 4.050 . 0 0 "[ . 1 . 2]" 1
486 1 93 ARG H 1 93 ARG HG3 . . 4.150 2.730 1.927 4.289 0.139 20 0 "[ . 1 . 2]" 1
487 1 92 ARG HA 1 93 ARG H . . 3.100 2.204 2.140 2.605 . 0 0 "[ . 1 . 2]" 1
488 1 92 ARG HB2 1 93 ARG H . . 4.130 3.358 2.006 4.070 . 0 0 "[ . 1 . 2]" 1
489 1 61 VAL MG1 1 91 ARG HE . . 4.220 3.341 2.369 4.208 . 0 0 "[ . 1 . 2]" 1
490 1 91 ARG HE 1 91 ARG HG3 . . 3.980 2.751 2.199 3.572 . 0 0 "[ . 1 . 2]" 1
491 1 91 ARG HB3 1 91 ARG HE . . 4.670 4.191 2.441 4.634 . 0 0 "[ . 1 . 2]" 1
492 1 91 ARG HE 1 91 ARG HG2 . . 3.980 2.953 2.232 3.770 . 0 0 "[ . 1 . 2]" 1
493 1 59 GLU HB3 1 91 ARG HE . . 4.480 3.410 2.435 4.446 . 0 0 "[ . 1 . 2]" 1
494 1 21 ALA H 1 23 TRP HZ2 . . 3.750 3.139 2.761 3.576 . 0 0 "[ . 1 . 2]" 1
495 1 65 GLY H 1 66 THR H . . 3.040 2.442 2.321 2.585 . 0 0 "[ . 1 . 2]" 1
496 1 10 PHE H 1 11 GLN H . . 5.020 4.500 4.314 4.647 . 0 0 "[ . 1 . 2]" 1
497 1 11 GLN H 1 94 ASN H . . 4.730 4.123 3.260 4.731 0.001 5 0 "[ . 1 . 2]" 1
498 1 11 GLN H 1 91 ARG HA . . 4.600 4.048 3.496 4.527 . 0 0 "[ . 1 . 2]" 1
499 1 11 GLN H 1 92 ARG HG3 . . 5.010 3.647 3.161 4.792 . 0 0 "[ . 1 . 2]" 1
500 1 11 GLN H 1 92 ARG HG2 . . 5.010 4.101 2.918 5.008 . 0 0 "[ . 1 . 2]" 1
501 1 12 TYR H 1 12 TYR QE . . 4.900 4.615 4.334 4.839 . 0 0 "[ . 1 . 2]" 1
502 1 13 VAL H 1 14 PRO HD2 . . 5.050 4.577 4.465 4.702 . 0 0 "[ . 1 . 2]" 1
503 1 13 VAL H 1 14 PRO HD3 . . 4.800 4.157 3.951 4.406 . 0 0 "[ . 1 . 2]" 1
504 1 15 VAL H 1 88 LEU H . . 3.620 3.505 3.332 3.624 0.004 16 0 "[ . 1 . 2]" 1
505 1 17 LEU H 1 86 LEU HB3 . . 4.880 3.024 2.769 3.113 . 0 0 "[ . 1 . 2]" 1
506 1 17 LEU H 1 86 LEU QD . . 5.290 4.270 4.165 4.421 . 0 0 "[ . 1 . 2]" 1
507 1 17 LEU H 1 87 LYS HG3 . . 4.950 4.461 4.313 4.721 . 0 0 "[ . 1 . 2]" 1
508 1 18 GLN H 1 20 GLY H . . 4.800 4.293 4.049 4.665 . 0 0 "[ . 1 . 2]" 1
509 1 18 GLN H 1 23 TRP HE3 . . 4.870 4.365 4.069 4.873 0.003 4 0 "[ . 1 . 2]" 1
510 1 19 GLY H 1 20 GLY HA2 . . 4.670 4.413 4.183 4.651 . 0 0 "[ . 1 . 2]" 1
511 1 19 GLY H 1 23 TRP HZ3 . . 4.480 4.147 3.784 4.418 . 0 0 "[ . 1 . 2]" 1
512 1 25 PHE H 1 26 THR MG . . 4.630 3.900 3.600 4.632 0.002 8 0 "[ . 1 . 2]" 1
513 1 26 THR H 1 27 LEU H . . 4.650 4.417 4.387 4.459 . 0 0 "[ . 1 . 2]" 1
514 1 26 THR H 1 43 GLU H . . 5.500 5.048 4.645 5.248 . 0 0 "[ . 1 . 2]" 1
515 1 25 PHE QD 1 27 LEU H . . 5.500 4.965 4.867 5.043 . 0 0 "[ . 1 . 2]" 1
516 1 28 LYS H 1 29 GLY H . . 4.930 4.401 4.380 4.424 . 0 0 "[ . 1 . 2]" 1
517 1 27 LEU H 1 28 LYS H . . 4.740 4.426 4.398 4.453 . 0 0 "[ . 1 . 2]" 1
518 1 28 LYS H 1 40 SER HB2 . . 4.960 4.535 4.107 4.720 . 0 0 "[ . 1 . 2]" 1
519 1 28 LYS H 1 37 LEU HA . . 4.740 3.768 3.543 4.052 . 0 0 "[ . 1 . 2]" 1
520 1 30 GLY H 1 37 LEU H . . 5.020 3.546 3.172 3.797 . 0 0 "[ . 1 . 2]" 1
521 1 30 GLY H 1 31 LEU H . . 4.680 4.341 4.144 4.481 . 0 0 "[ . 1 . 2]" 1
522 1 31 LEU QB 1 34 CYS H . . 4.820 4.562 4.068 4.823 0.003 16 0 "[ . 1 . 2]" 1
523 1 34 CYS H 1 35 GLU HB2 . . 5.500 4.762 4.505 4.933 . 0 0 "[ . 1 . 2]" 1
524 1 27 LEU HA 1 38 THR H . . 4.710 4.713 4.516 4.902 0.192 13 0 "[ . 1 . 2]" 1
525 1 29 GLY QA 1 38 THR H . . 5.090 4.366 4.016 4.661 . 0 0 "[ . 1 . 2]" 1
526 1 39 VAL H 1 40 SER H . . 4.760 4.540 4.475 4.599 . 0 0 "[ . 1 . 2]" 1
527 1 25 PHE HB2 1 41 LYS H . . 5.410 5.444 5.308 5.508 0.098 4 0 "[ . 1 . 2]" 1
528 1 28 LYS QE 1 41 LYS H . . 5.130 4.932 4.449 5.123 . 0 0 "[ . 1 . 2]" 1
529 1 42 ILE HG13 1 43 GLU H . . 5.380 5.037 4.975 5.095 . 0 0 "[ . 1 . 2]" 1
530 1 43 GLU HB3 1 46 GLY H . . 4.530 3.538 2.683 4.046 . 0 0 "[ . 1 . 2]" 1
531 1 46 GLY H 1 50 LEU H . . 5.030 4.439 3.564 5.087 0.057 10 0 "[ . 1 . 2]" 1
532 1 46 GLY H 1 49 ALA H . . 4.640 3.968 3.333 4.274 . 0 0 "[ . 1 . 2]" 1
533 1 48 ALA H 1 50 LEU H . . 4.710 4.381 4.041 4.712 0.002 13 0 "[ . 1 . 2]" 1
534 1 55 ARG HD2 1 56 THR H . . 4.830 4.116 1.862 4.844 0.014 8 0 "[ . 1 . 2]" 1
535 1 55 ARG HD3 1 56 THR H . . 4.830 3.791 2.017 4.839 0.009 3 0 "[ . 1 . 2]" 1
536 1 55 ARG H 1 58 ASP H . . 4.880 3.812 3.576 4.340 . 0 0 "[ . 1 . 2]" 1
537 1 56 THR H 1 58 ASP H . . 5.100 5.008 4.855 5.107 0.007 1 0 "[ . 1 . 2]" 1
538 1 59 GLU H 1 90 VAL HA . . 4.580 4.245 4.024 4.476 . 0 0 "[ . 1 . 2]" 1
539 1 63 ILE H 1 64 ASN H . . 4.680 4.276 4.171 4.384 . 0 0 "[ . 1 . 2]" 1
540 1 63 ILE MD 1 64 ASN H . . 5.500 5.163 4.887 5.376 . 0 0 "[ . 1 . 2]" 1
541 1 64 ASN H 1 78 LEU QD . . 5.500 3.854 3.644 4.107 . 0 0 "[ . 1 . 2]" 1
542 1 62 ASN HA 1 65 GLY H . . 5.110 4.958 4.729 5.116 0.006 4 0 "[ . 1 . 2]" 1
543 1 64 ASN HB2 1 66 THR H . . 5.220 3.917 3.515 4.223 . 0 0 "[ . 1 . 2]" 1
544 1 64 ASN HB3 1 66 THR H . . 5.220 4.477 4.123 4.726 . 0 0 "[ . 1 . 2]" 1
545 1 64 ASN H 1 66 THR H . . 4.640 4.080 3.947 4.258 . 0 0 "[ . 1 . 2]" 1
546 1 73 GLN H 1 75 ALA MB . . 5.170 4.757 4.505 4.924 . 0 0 "[ . 1 . 2]" 1
547 1 68 LEU QD 1 75 ALA H . . 4.480 3.127 2.953 3.363 . 0 0 "[ . 1 . 2]" 1
548 1 27 LEU MD1 1 75 ALA H . . 5.470 5.166 4.795 5.471 0.001 14 0 "[ . 1 . 2]" 1
549 1 74 GLU H 1 75 ALA H . . 4.540 3.102 2.966 3.177 . 0 0 "[ . 1 . 2]" 1
550 1 23 TRP HH2 1 85 ILE H . . 4.520 3.983 3.404 4.367 . 0 0 "[ . 1 . 2]" 1
551 1 86 LEU H 1 86 LEU QD . . 4.730 3.753 3.665 3.855 . 0 0 "[ . 1 . 2]" 1
552 1 86 LEU QD 1 87 LYS H . . 3.380 3.217 2.190 3.503 0.123 14 0 "[ . 1 . 2]" 1
553 1 88 LEU H 1 89 ILE H . . 4.560 4.372 4.308 4.437 . 0 0 "[ . 1 . 2]" 1
554 1 10 PHE QD 1 92 ARG H . . 4.710 3.980 2.935 4.627 . 0 0 "[ . 1 . 2]" 1
555 1 10 PHE QB 1 92 ARG H . . 4.300 3.741 3.011 4.201 . 0 0 "[ . 1 . 2]" 1
556 1 93 ARG H 1 94 ASN H . . 5.020 4.474 3.821 4.639 . 0 0 "[ . 1 . 2]" 1
557 1 93 ARG HG2 1 94 ASN H . . 5.030 4.545 3.980 5.044 0.014 1 0 "[ . 1 . 2]" 1
558 1 93 ARG HG3 1 94 ASN H . . 5.030 4.671 3.048 5.041 0.011 18 0 "[ . 1 . 2]" 1
559 1 92 ARG HB2 1 92 ARG HE . . 4.100 3.587 2.657 4.252 0.152 12 0 "[ . 1 . 2]" 1
560 1 24 GLY HA3 1 43 GLU QG . . 4.530 3.097 2.504 3.730 . 0 0 "[ . 1 . 2]" 1
561 1 24 GLY HA3 1 48 ALA MB . . 4.530 3.468 3.278 3.640 . 0 0 "[ . 1 . 2]" 1
562 1 24 GLY HA2 1 48 ALA H . . 5.240 5.350 5.213 5.456 0.216 3 0 "[ . 1 . 2]" 1
563 1 24 GLY HA2 1 43 GLU HB2 . . 4.390 2.769 2.325 3.045 . 0 0 "[ . 1 . 2]" 1
564 1 24 GLY HA2 1 47 LYS H . . 5.350 5.390 5.124 5.511 0.161 15 0 "[ . 1 . 2]" 1
565 1 24 GLY HA2 1 48 ALA MB . . 4.740 4.490 4.306 4.707 . 0 0 "[ . 1 . 2]" 1
566 1 63 ILE MD 1 79 ILE HA . . 4.600 4.985 4.730 5.197 0.597 5 7 "[ +*- *1 * . **]" 1
567 1 54 MET H 1 54 MET ME . . 4.730 4.502 4.369 4.590 . 0 0 "[ . 1 . 2]" 1
568 1 63 ILE MD 1 78 LEU H . . 5.010 4.420 4.192 4.742 . 0 0 "[ . 1 . 2]" 1
569 1 48 ALA HA 1 54 MET ME . . 4.190 4.195 3.762 4.613 0.423 8 0 "[ . 1 . 2]" 1
570 1 25 PHE HB2 1 54 MET ME . . 3.770 2.203 1.949 2.370 . 0 0 "[ . 1 . 2]" 1
571 1 54 MET ME 1 86 LEU QD . . 5.240 4.922 4.753 5.357 0.117 13 0 "[ . 1 . 2]" 1
572 1 63 ILE MD 1 86 LEU QD . . 5.500 4.427 4.188 4.779 . 0 0 "[ . 1 . 2]" 1
573 1 63 ILE MD 1 79 ILE HG12 . . 3.180 3.536 3.050 3.857 0.677 19 5 "[ *. - 1 * +*]" 1
574 1 25 PHE QD 1 54 MET ME . . 3.100 2.976 2.780 3.065 . 0 0 "[ . 1 . 2]" 1
575 1 25 PHE HB3 1 54 MET ME . . 3.680 2.796 2.328 3.165 . 0 0 "[ . 1 . 2]" 1
576 1 54 MET ME 1 54 MET HG3 . . 3.490 2.385 2.214 2.476 . 0 0 "[ . 1 . 2]" 1
577 1 54 MET ME 1 54 MET HG2 . . 3.490 3.362 3.320 3.397 . 0 0 "[ . 1 . 2]" 1
578 1 29 GLY QA 1 35 GLU HB3 . . 4.300 2.274 1.969 2.873 . 0 0 "[ . 1 . 2]" 1
579 1 29 GLY QA 1 33 HIS HB2 . . 4.850 3.146 2.792 3.430 . 0 0 "[ . 1 . 2]" 1
580 1 29 GLY QA 1 33 HIS HB3 . . 4.850 4.297 3.728 4.744 . 0 0 "[ . 1 . 2]" 1
581 1 29 GLY QA 1 35 GLU HB2 . . 3.910 2.216 1.963 2.534 . 0 0 "[ . 1 . 2]" 1
582 1 28 LYS HA 1 29 GLY QA . . 4.860 4.121 4.057 4.181 . 0 0 "[ . 1 . 2]" 1
583 1 29 GLY QA 1 30 GLY HA3 . . 4.870 3.965 3.945 3.988 . 0 0 "[ . 1 . 2]" 1
584 1 29 GLY QA 1 35 GLU HG2 . . 5.030 4.138 3.842 4.501 . 0 0 "[ . 1 . 2]" 1
585 1 29 GLY QA 1 37 LEU HA . . 5.500 3.698 3.390 4.096 . 0 0 "[ . 1 . 2]" 1
586 1 70 GLY HA3 1 71 SER HA . . 5.500 4.401 4.305 4.609 . 0 0 "[ . 1 . 2]" 1
587 1 44 ASP QB 1 45 GLY HA2 . . 4.710 4.517 4.096 4.817 0.107 16 0 "[ . 1 . 2]" 1
588 1 45 GLY HA2 1 50 LEU HG . . 5.250 3.500 2.846 4.303 . 0 0 "[ . 1 . 2]" 1
589 1 28 LYS QD 1 29 GLY QA . . 4.980 4.005 3.758 4.307 . 0 0 "[ . 1 . 2]" 1
590 1 31 LEU QB 1 70 GLY HA3 . . 5.230 2.448 1.938 3.122 . 0 0 "[ . 1 . 2]" 1
591 1 37 LEU MD2 1 70 GLY HA3 . . 5.300 4.838 4.402 5.037 . 0 0 "[ . 1 . 2]" 1
592 1 44 ASP QB 1 45 GLY HA3 . . 4.750 4.288 4.067 4.586 . 0 0 "[ . 1 . 2]" 1
593 1 45 GLY HA3 1 49 ALA MB . . 4.840 4.234 3.891 4.512 . 0 0 "[ . 1 . 2]" 1
594 1 27 LEU HB3 1 37 LEU MD1 . . 3.990 2.527 2.004 3.060 . 0 0 "[ . 1 . 2]" 1
595 1 27 LEU HB2 1 28 LYS H . . 4.330 3.453 3.077 3.793 . 0 0 "[ . 1 . 2]" 1
596 1 27 LEU HB2 1 27 LEU MD1 . . 3.490 2.141 1.989 2.266 . 0 0 "[ . 1 . 2]" 1
597 1 60 LEU MD2 1 88 LEU HB3 . . 3.990 2.287 2.110 2.482 . 0 0 "[ . 1 . 2]" 1
598 1 15 VAL HB 1 88 LEU HB2 . . 3.860 2.634 2.314 2.812 . 0 0 "[ . 1 . 2]" 1
599 1 60 LEU MD2 1 88 LEU HB2 . . 3.780 3.781 3.661 3.798 0.018 4 0 "[ . 1 . 2]" 1
600 1 18 GLN HA 1 19 GLY HA2 . . 4.920 4.465 4.405 4.519 . 0 0 "[ . 1 . 2]" 1
601 1 18 GLN HA 1 19 GLY HA3 . . 4.560 4.396 4.381 4.419 . 0 0 "[ . 1 . 2]" 1
602 1 19 GLY HA3 1 47 LYS HE3 . . 4.540 2.810 2.419 3.650 . 0 0 "[ . 1 . 2]" 1
603 1 19 GLY HA3 1 47 LYS HE2 . . 4.540 3.224 2.548 4.168 . 0 0 "[ . 1 . 2]" 1
604 1 79 ILE H 1 79 ILE MD . . 3.550 3.108 3.049 3.295 . 0 0 "[ . 1 . 2]" 1
605 1 79 ILE MD 1 80 LYS H . . 4.400 4.048 3.922 4.204 . 0 0 "[ . 1 . 2]" 1
606 1 25 PHE HZ 1 79 ILE MD . . 3.350 2.226 1.970 2.549 . 0 0 "[ . 1 . 2]" 1
607 1 76 LEU HA 1 79 ILE MD . . 3.440 1.924 1.771 2.242 . 0 0 "[ . 1 . 2]" 1
608 1 79 ILE HA 1 79 ILE MD . . 4.100 3.913 3.892 3.931 . 0 0 "[ . 1 . 2]" 1
609 1 79 ILE HB 1 79 ILE MD . . 3.110 2.096 2.082 2.111 . 0 0 "[ . 1 . 2]" 1
610 1 79 ILE MD 1 79 ILE MG . . 2.570 2.504 2.428 2.548 . 0 0 "[ . 1 . 2]" 1
611 1 79 ILE MD 1 86 LEU QD . . 4.170 3.789 3.350 3.981 . 0 0 "[ . 1 . 2]" 1
612 1 43 GLU HB2 1 46 GLY HA2 . . 4.790 4.474 3.444 4.885 0.095 15 0 "[ . 1 . 2]" 1
613 1 43 GLU HB2 1 46 GLY HA3 . . 4.790 3.071 2.051 3.605 . 0 0 "[ . 1 . 2]" 1
614 1 38 THR MG 1 57 GLY HA2 . . 4.840 4.103 3.905 4.290 . 0 0 "[ . 1 . 2]" 1
615 1 38 THR MG 1 57 GLY HA3 . . 4.840 5.078 4.822 5.295 0.455 13 0 "[ . 1 . 2]" 1
616 1 30 GLY HA2 1 37 LEU HB2 . . 4.750 2.536 2.137 2.938 . 0 0 "[ . 1 . 2]" 1
617 1 96 GLY QA 1 97 PRO QG . . 4.080 3.769 3.653 4.084 0.004 6 0 "[ . 1 . 2]" 1
618 1 17 LEU HB3 1 23 TRP HE3 . . 4.580 2.595 2.202 2.894 . 0 0 "[ . 1 . 2]" 1
619 1 30 GLY HA3 1 37 LEU MD1 . . 4.150 2.629 1.997 3.147 . 0 0 "[ . 1 . 2]" 1
620 1 30 GLY HA2 1 37 LEU HB3 . . 4.940 4.275 3.864 4.667 . 0 0 "[ . 1 . 2]" 1
621 1 30 GLY HA2 1 31 LEU QB . . 4.710 4.318 4.217 4.498 . 0 0 "[ . 1 . 2]" 1
622 1 30 GLY HA2 1 37 LEU HG . . 5.230 4.899 4.552 5.212 . 0 0 "[ . 1 . 2]" 1
623 1 17 LEU HB2 1 23 TRP HE3 . . 4.580 3.547 3.034 3.988 . 0 0 "[ . 1 . 2]" 1
624 1 25 PHE QD 1 42 ILE MD . . 4.700 4.622 4.326 4.864 0.164 5 0 "[ . 1 . 2]" 1
625 1 42 ILE MD 1 55 ARG HA . . 3.130 1.922 1.786 2.164 . 0 0 "[ . 1 . 2]" 1
626 1 41 LYS HA 1 42 ILE MD . . 5.320 4.845 4.680 5.016 . 0 0 "[ . 1 . 2]" 1
627 1 25 PHE HB2 1 42 ILE MD . . 4.240 3.218 2.898 3.427 . 0 0 "[ . 1 . 2]" 1
628 1 42 ILE MD 1 54 MET H . . 4.620 4.503 4.322 4.625 0.005 17 0 "[ . 1 . 2]" 1
629 1 42 ILE MD 1 43 GLU H . . 5.410 5.361 5.205 5.472 0.062 15 0 "[ . 1 . 2]" 1
630 1 25 PHE HA 1 42 ILE MD . . 4.580 4.042 3.722 4.241 . 0 0 "[ . 1 . 2]" 1
631 1 42 ILE MD 1 49 ALA HA . . 4.330 4.107 3.781 4.316 . 0 0 "[ . 1 . 2]" 1
632 1 42 ILE MD 1 56 THR HA . . 3.930 3.339 3.151 3.539 . 0 0 "[ . 1 . 2]" 1
633 1 25 PHE HB3 1 42 ILE MD . . 4.050 3.910 3.478 4.056 0.006 15 0 "[ . 1 . 2]" 1
634 1 42 ILE MD 1 54 MET HG2 . . 4.510 4.398 4.187 4.506 . 0 0 "[ . 1 . 2]" 1
635 1 42 ILE HB 1 42 ILE MD . . 2.980 2.402 2.295 2.456 . 0 0 "[ . 1 . 2]" 1
636 1 77 ILE H 1 77 ILE MD . . 3.670 3.489 3.293 3.670 . 0 0 "[ . 1 . 2]" 1
637 1 74 GLU HA 1 77 ILE MD . . 3.380 2.607 2.155 2.991 . 0 0 "[ . 1 . 2]" 1
638 1 77 ILE HA 1 77 ILE MD . . 4.050 3.827 3.769 3.884 . 0 0 "[ . 1 . 2]" 1
639 1 77 ILE HB 1 77 ILE MD . . 3.010 2.358 2.246 2.413 . 0 0 "[ . 1 . 2]" 1
640 1 55 ARG HB2 1 55 ARG HD2 . . 3.930 3.149 2.433 3.897 . 0 0 "[ . 1 . 2]" 1
641 1 55 ARG HB3 1 55 ARG HD2 . . 3.930 2.940 2.165 3.922 . 0 0 "[ . 1 . 2]" 1
642 1 55 ARG HA 1 55 ARG HD3 . . 5.060 3.835 2.197 5.102 0.042 10 0 "[ . 1 . 2]" 1
643 1 55 ARG HB2 1 55 ARG HD3 . . 3.930 3.186 2.181 3.866 . 0 0 "[ . 1 . 2]" 1
644 1 55 ARG HB3 1 55 ARG HD3 . . 3.930 2.837 2.155 3.632 . 0 0 "[ . 1 . 2]" 1
645 1 85 ILE H 1 85 ILE MD . . 4.610 4.163 3.943 4.433 . 0 0 "[ . 1 . 2]" 1
646 1 16 GLN HE22 1 85 ILE MD . . 4.440 3.909 2.965 4.324 . 0 0 "[ . 1 . 2]" 1
647 1 85 ILE MD 1 87 LYS QE . . 4.300 4.637 4.452 4.797 0.497 12 0 "[ . 1 . 2]" 1
648 1 16 GLN HE21 1 85 ILE MD . . 4.440 3.047 2.401 3.637 . 0 0 "[ . 1 . 2]" 1
649 1 18 GLN HA 1 85 ILE MD . . 4.540 3.826 3.512 4.058 . 0 0 "[ . 1 . 2]" 1
650 1 85 ILE HA 1 85 ILE MD . . 4.090 3.797 3.748 3.846 . 0 0 "[ . 1 . 2]" 1
651 1 18 GLN QG 1 85 ILE MD . . 3.470 2.423 1.958 3.010 . 0 0 "[ . 1 . 2]" 1
652 1 72 ARG HA 1 72 ARG HD2 . . 4.330 3.864 2.528 4.365 0.035 16 0 "[ . 1 . 2]" 1
653 1 72 ARG HD2 1 76 LEU HG . . 5.500 4.073 2.728 4.629 . 0 0 "[ . 1 . 2]" 1
654 1 72 ARG HD2 1 76 LEU QD . . 4.350 2.989 2.372 3.478 . 0 0 "[ . 1 . 2]" 1
655 1 37 LEU MD1 1 72 ARG HD2 . . 3.760 2.893 2.209 3.625 . 0 0 "[ . 1 . 2]" 1
656 1 72 ARG HA 1 72 ARG HD3 . . 4.330 3.565 2.395 4.343 0.013 14 0 "[ . 1 . 2]" 1
657 1 72 ARG HD3 1 76 LEU HG . . 5.500 5.076 4.164 5.554 0.054 7 0 "[ . 1 . 2]" 1
658 1 37 LEU MD1 1 72 ARG HD3 . . 3.760 2.757 1.843 3.616 . 0 0 "[ . 1 . 2]" 1
659 1 89 ILE MD 1 90 VAL H . . 5.020 4.830 4.751 4.941 . 0 0 "[ . 1 . 2]" 1
660 1 62 ASN HD22 1 89 ILE MD . . 4.850 4.458 4.164 4.643 . 0 0 "[ . 1 . 2]" 1
661 1 62 ASN H 1 89 ILE MD . . 5.090 4.680 4.429 4.946 . 0 0 "[ . 1 . 2]" 1
662 1 12 TYR QD 1 89 ILE MD . . 5.500 5.432 5.267 5.501 0.001 19 0 "[ . 1 . 2]" 1
663 1 62 ASN HD21 1 89 ILE MD . . 4.850 4.714 4.405 4.849 . 0 0 "[ . 1 . 2]" 1
664 1 14 PRO HA 1 89 ILE MD . . 3.630 3.014 2.712 3.265 . 0 0 "[ . 1 . 2]" 1
665 1 89 ILE HA 1 89 ILE MD . . 3.680 3.080 3.004 3.194 . 0 0 "[ . 1 . 2]" 1
666 1 62 ASN HB3 1 89 ILE MD . . 3.530 2.386 2.254 2.550 . 0 0 "[ . 1 . 2]" 1
667 1 62 ASN HB2 1 89 ILE MD . . 3.530 3.619 3.501 3.735 0.205 10 0 "[ . 1 . 2]" 1
668 1 20 GLY HA3 1 23 TRP HZ2 . . 4.800 4.620 4.189 4.801 0.001 18 0 "[ . 1 . 2]" 1
669 1 20 GLY HA2 1 23 TRP HZ2 . . 4.230 2.932 2.490 3.132 . 0 0 "[ . 1 . 2]" 1
670 1 20 GLY HA2 1 23 TRP HH2 . . 3.940 2.580 2.071 2.836 . 0 0 "[ . 1 . 2]" 1
671 1 60 LEU H 1 60 LEU HB2 . . 3.820 2.357 2.166 2.501 . 0 0 "[ . 1 . 2]" 1
672 1 60 LEU HB2 1 60 LEU MD1 . . 3.270 2.277 2.150 2.401 . 0 0 "[ . 1 . 2]" 1
673 1 17 LEU QD 1 86 LEU HB3 . . 5.460 1.964 1.831 2.076 . 0 0 "[ . 1 . 2]" 1
674 1 85 ILE MG 1 86 LEU HB3 . . 5.500 4.448 4.336 4.662 . 0 0 "[ . 1 . 2]" 1
675 1 93 ARG HA 1 93 ARG HD2 . . 4.860 4.687 4.390 4.944 0.084 14 0 "[ . 1 . 2]" 1
676 1 93 ARG HA 1 93 ARG HD3 . . 4.860 4.566 3.895 4.904 0.044 2 0 "[ . 1 . 2]" 1
677 1 62 ASN HB3 1 89 ILE H . . 4.200 2.275 1.930 2.606 . 0 0 "[ . 1 . 2]" 1
678 1 62 ASN HB3 1 89 ILE HB . . 3.760 2.006 1.992 2.081 . 0 0 "[ . 1 . 2]" 1
679 1 60 LEU MD2 1 62 ASN HB3 . . 4.860 3.715 3.401 3.951 . 0 0 "[ . 1 . 2]" 1
680 1 61 VAL MG2 1 62 ASN HB3 . . 4.120 3.623 3.415 3.822 . 0 0 "[ . 1 . 2]" 1
681 1 62 ASN HB2 1 89 ILE HB . . 3.760 2.693 2.422 2.886 . 0 0 "[ . 1 . 2]" 1
682 1 60 LEU MD2 1 62 ASN HB2 . . 4.860 4.284 4.026 4.451 . 0 0 "[ . 1 . 2]" 1
683 1 10 PHE QB 1 91 ARG HB2 . . 4.120 2.605 2.148 3.025 . 0 0 "[ . 1 . 2]" 1
684 1 10 PHE QB 1 12 TYR QE . . 3.920 3.159 2.253 3.915 . 0 0 "[ . 1 . 2]" 1
685 1 31 LEU QB 1 71 SER HA . . 4.150 3.196 1.990 4.063 . 0 0 "[ . 1 . 2]" 1
686 1 38 THR HB 1 57 GLY H . . 4.520 3.453 3.297 3.661 . 0 0 "[ . 1 . 2]" 1
687 1 38 THR HB 1 58 ASP HA . . 5.050 4.443 4.167 5.091 0.041 10 0 "[ . 1 . 2]" 1
688 1 38 THR HB 1 59 GLU HA . . 4.420 3.500 3.268 3.900 . 0 0 "[ . 1 . 2]" 1
689 1 38 THR HB 1 39 VAL HB . . 4.770 4.123 4.010 4.202 . 0 0 "[ . 1 . 2]" 1
690 1 38 THR HB 1 39 VAL MG2 . . 4.580 4.136 3.959 4.432 . 0 0 "[ . 1 . 2]" 1
691 1 15 VAL HA 1 53 LYS QE . . 4.520 3.722 2.666 4.799 0.279 6 0 "[ . 1 . 2]" 1
692 1 53 LYS HB3 1 53 LYS QE . . 4.350 2.427 1.987 3.586 . 0 0 "[ . 1 . 2]" 1
693 1 53 LYS QE 1 53 LYS HG3 . . 3.320 2.537 2.201 3.364 0.044 13 0 "[ . 1 . 2]" 1
694 1 53 LYS HA 1 53 LYS QE . . 4.670 3.291 1.802 4.246 . 0 0 "[ . 1 . 2]" 1
695 1 37 LEU H 1 37 LEU HB2 . . 4.040 2.242 2.178 2.331 . 0 0 "[ . 1 . 2]" 1
696 1 36 PRO HA 1 37 LEU HB2 . . 4.800 4.432 4.344 4.484 . 0 0 "[ . 1 . 2]" 1
697 1 75 ALA HA 1 78 LEU HB2 . . 4.750 3.026 2.916 3.188 . 0 0 "[ . 1 . 2]" 1
698 1 63 ILE MG 1 78 LEU HB2 . . 4.730 3.511 3.307 3.649 . 0 0 "[ . 1 . 2]" 1
699 1 37 LEU HB3 1 37 LEU MD1 . . 3.520 3.179 3.164 3.188 . 0 0 "[ . 1 . 2]" 1
700 1 68 LEU QD 1 78 LEU HB3 . . 4.390 3.967 3.754 4.258 . 0 0 "[ . 1 . 2]" 1
701 1 80 LYS HA 1 80 LYS QE . . 4.780 4.250 1.962 4.767 . 0 0 "[ . 1 . 2]" 1
702 1 77 ILE HA 1 80 LYS QE . . 4.570 3.644 2.202 4.316 . 0 0 "[ . 1 . 2]" 1
703 1 80 LYS QB 1 80 LYS QE . . 3.740 3.188 2.169 3.627 . 0 0 "[ . 1 . 2]" 1
704 1 80 LYS QE 1 80 LYS HG2 . . 3.370 2.734 2.039 3.417 0.047 14 0 "[ . 1 . 2]" 1
705 1 80 LYS QE 1 80 LYS HG3 . . 3.370 2.405 2.102 3.277 . 0 0 "[ . 1 . 2]" 1
706 1 41 LYS HA 1 41 LYS QE . . 4.700 4.586 4.410 4.977 0.277 7 0 "[ . 1 . 2]" 1
707 1 41 LYS QE 1 43 GLU HA . . 4.270 2.646 2.019 3.424 . 0 0 "[ . 1 . 2]" 1
708 1 28 LYS H 1 28 LYS QE . . 4.940 4.338 3.467 4.825 . 0 0 "[ . 1 . 2]" 1
709 1 28 LYS QE 1 40 SER H . . 4.770 4.260 3.185 4.705 . 0 0 "[ . 1 . 2]" 1
710 1 28 LYS QE 1 29 GLY H . . 5.190 5.011 4.755 5.199 0.009 18 0 "[ . 1 . 2]" 1
711 1 28 LYS HA 1 28 LYS QE . . 5.030 4.586 4.363 4.722 . 0 0 "[ . 1 . 2]" 1
712 1 28 LYS QE 1 40 SER HA . . 3.940 2.056 1.811 2.458 . 0 0 "[ . 1 . 2]" 1
713 1 28 LYS QE 1 40 SER HB3 . . 3.870 2.870 2.280 3.220 . 0 0 "[ . 1 . 2]" 1
714 1 28 LYS QE 1 40 SER HB2 . . 4.210 2.051 1.791 2.377 . 0 0 "[ . 1 . 2]" 1
715 1 28 LYS QE 1 28 LYS QG . . 2.870 2.232 2.107 2.391 . 0 0 "[ . 1 . 2]" 1
716 1 36 PRO HA 1 37 LEU HB3 . . 4.940 4.796 4.732 4.876 . 0 0 "[ . 1 . 2]" 1
717 1 87 LYS H 1 87 LYS QE . . 4.880 3.079 2.894 3.382 . 0 0 "[ . 1 . 2]" 1
718 1 16 GLN HA 1 87 LYS QE . . 5.500 5.374 5.037 5.507 0.007 1 0 "[ . 1 . 2]" 1
719 1 87 LYS HA 1 87 LYS QE . . 4.420 4.120 3.967 4.212 . 0 0 "[ . 1 . 2]" 1
720 1 64 ASN HA 1 87 LYS QE . . 4.560 2.948 2.479 3.606 . 0 0 "[ . 1 . 2]" 1
721 1 87 LYS HB3 1 87 LYS QE . . 3.670 3.477 3.292 3.672 0.002 1 0 "[ . 1 . 2]" 1
722 1 85 ILE HB 1 87 LYS QE . . 4.440 3.790 3.372 4.054 . 0 0 "[ . 1 . 2]" 1
723 1 87 LYS QE 1 87 LYS HG2 . . 3.340 3.205 2.488 3.382 0.042 1 0 "[ . 1 . 2]" 1
724 1 87 LYS QE 1 87 LYS HG3 . . 3.540 2.431 2.285 3.401 . 0 0 "[ . 1 . 2]" 1
725 1 85 ILE MG 1 87 LYS QE . . 3.120 2.743 2.311 2.949 . 0 0 "[ . 1 . 2]" 1
726 1 87 LYS QE 1 88 LEU MD2 . . 5.500 5.441 5.332 5.509 0.009 20 0 "[ . 1 . 2]" 1
727 1 85 ILE HB 1 85 ILE MD . . 3.320 2.416 2.330 2.471 . 0 0 "[ . 1 . 2]" 1
728 1 50 LEU H 1 50 LEU HB3 . . 3.830 3.555 3.518 3.591 . 0 0 "[ . 1 . 2]" 1
729 1 47 LYS HA 1 50 LEU HB3 . . 4.330 3.968 3.724 4.296 . 0 0 "[ . 1 . 2]" 1
730 1 76 LEU H 1 76 LEU HB3 . . 3.710 3.586 3.577 3.598 . 0 0 "[ . 1 . 2]" 1
731 1 76 LEU HB3 1 77 ILE H . . 4.350 3.586 3.309 3.943 . 0 0 "[ . 1 . 2]" 1
732 1 76 LEU HB3 1 76 LEU QD . . 3.070 2.074 1.957 2.164 . 0 0 "[ . 1 . 2]" 1
733 1 76 LEU HB3 1 77 ILE HG13 . . 4.730 4.648 4.453 4.863 0.133 12 0 "[ . 1 . 2]" 1
734 1 63 ILE HB 1 78 LEU HB3 . . 4.380 3.269 3.013 3.744 . 0 0 "[ . 1 . 2]" 1
735 1 76 LEU H 1 76 LEU HB2 . . 3.860 2.674 2.548 2.737 . 0 0 "[ . 1 . 2]" 1
736 1 76 LEU HB2 1 76 LEU QD . . 3.220 2.161 2.051 2.285 . 0 0 "[ . 1 . 2]" 1
737 1 63 ILE HB 1 63 ILE MD . . 3.500 2.397 2.223 2.557 . 0 0 "[ . 1 . 2]" 1
738 1 26 THR H 1 26 THR HB . . 3.700 3.763 3.691 3.843 0.143 19 0 "[ . 1 . 2]" 1
739 1 26 THR HB 1 41 LYS QB . . 3.980 4.035 3.913 4.105 0.125 14 0 "[ . 1 . 2]" 1
740 1 26 THR HB 1 27 LEU HB2 . . 5.220 4.827 4.688 4.966 . 0 0 "[ . 1 . 2]" 1
741 1 26 THR HB 1 76 LEU QD . . 5.010 3.691 2.981 4.083 . 0 0 "[ . 1 . 2]" 1
742 1 58 ASP HB2 1 90 VAL HB . . 3.910 3.224 2.114 3.755 . 0 0 "[ . 1 . 2]" 1
743 1 58 ASP HB3 1 90 VAL HB . . 3.910 2.451 1.994 3.750 . 0 0 "[ . 1 . 2]" 1
744 1 39 VAL MG2 1 58 ASP HB3 . . 4.250 3.534 3.103 4.017 . 0 0 "[ . 1 . 2]" 1
745 1 44 ASP H 1 44 ASP QB . . 3.680 2.270 2.128 2.534 . 0 0 "[ . 1 . 2]" 1
746 1 44 ASP QB 1 49 ALA MB . . 4.370 4.055 3.500 4.333 . 0 0 "[ . 1 . 2]" 1
747 1 69 TYR HA 1 69 TYR QD . . 4.140 2.673 2.217 3.629 . 0 0 "[ . 1 . 2]" 1
748 1 89 ILE HB 1 89 ILE MD . . 3.490 2.250 2.186 2.304 . 0 0 "[ . 1 . 2]" 1
749 1 12 TYR HB2 1 89 ILE MG . . 4.230 3.446 3.150 3.740 . 0 0 "[ . 1 . 2]" 1
750 1 63 ILE MG 1 66 THR HB . . 4.710 4.310 4.156 4.514 . 0 0 "[ . 1 . 2]" 1
751 1 66 THR HB 1 68 LEU QD . . 4.910 3.412 3.021 3.705 . 0 0 "[ . 1 . 2]" 1
752 1 65 GLY H 1 66 THR HB . . 5.160 4.809 4.698 4.922 . 0 0 "[ . 1 . 2]" 1
753 1 63 ILE HB 1 66 THR HB . . 4.700 3.493 3.214 3.788 . 0 0 "[ . 1 . 2]" 1
754 1 66 THR HB 1 78 LEU QD . . 3.550 1.921 1.753 2.200 . 0 0 "[ . 1 . 2]" 1
755 1 94 ASN H 1 94 ASN HB3 . . 4.080 2.797 2.178 3.682 . 0 0 "[ . 1 . 2]" 1
756 1 41 LYS HA 1 42 ILE HB . . 4.530 4.490 4.434 4.557 0.027 6 0 "[ . 1 . 2]" 1
757 1 42 ILE HB 1 56 THR MG . . 4.360 3.321 3.120 3.639 . 0 0 "[ . 1 . 2]" 1
758 1 25 PHE QD 1 27 LEU HG . . 4.240 3.209 3.099 3.339 . 0 0 "[ . 1 . 2]" 1
759 1 25 PHE QD 1 86 LEU QD . . 4.600 3.660 3.312 3.854 . 0 0 "[ . 1 . 2]" 1
760 1 79 ILE HB 1 80 LYS H . . 3.970 2.462 2.270 2.691 . 0 0 "[ . 1 . 2]" 1
761 1 83 PHE HA 1 83 PHE QE . . 4.630 4.409 4.232 4.617 . 0 0 "[ . 1 . 2]" 1
762 1 77 ILE HB 1 78 LEU H . . 3.870 2.642 2.416 2.783 . 0 0 "[ . 1 . 2]" 1
763 1 54 MET HB2 1 54 MET ME . . 3.590 2.218 1.958 2.486 . 0 0 "[ . 1 . 2]" 1
764 1 54 MET HB2 1 90 VAL MG2 . . 4.190 3.621 3.169 4.073 . 0 0 "[ . 1 . 2]" 1
765 1 15 VAL MG2 1 54 MET HB2 . . 4.540 3.517 3.320 3.683 . 0 0 "[ . 1 . 2]" 1
766 1 42 ILE MD 1 54 MET HB2 . . 3.740 3.261 3.031 3.532 . 0 0 "[ . 1 . 2]" 1
767 1 54 MET HB3 1 54 MET ME . . 3.750 3.378 3.031 3.632 . 0 0 "[ . 1 . 2]" 1
768 1 54 MET HB3 1 90 VAL MG2 . . 4.210 2.601 2.205 3.010 . 0 0 "[ . 1 . 2]" 1
769 1 15 VAL MG2 1 54 MET HB3 . . 4.410 2.160 1.978 2.352 . 0 0 "[ . 1 . 2]" 1
770 1 42 ILE MD 1 54 MET HB3 . . 4.800 4.618 4.450 4.805 0.005 12 0 "[ . 1 . 2]" 1
771 1 56 THR HB 1 57 GLY H . . 3.620 3.640 3.343 3.826 0.206 11 0 "[ . 1 . 2]" 1
772 1 40 SER HA 1 56 THR HB . . 4.450 4.351 3.897 4.691 0.241 9 0 "[ . 1 . 2]" 1
773 1 39 VAL MG1 1 56 THR HB . . 4.220 3.755 3.413 4.072 . 0 0 "[ . 1 . 2]" 1
774 1 42 ILE MD 1 56 THR HB . . 5.140 5.010 4.829 5.143 0.003 4 0 "[ . 1 . 2]" 1
775 1 23 TRP HB3 1 25 PHE QE . . 4.500 3.345 2.934 3.763 . 0 0 "[ . 1 . 2]" 1
776 1 53 LYS HB3 1 53 LYS HD2 . . 4.070 2.794 2.242 3.579 . 0 0 "[ . 1 . 2]" 1
777 1 53 LYS HB3 1 53 LYS HD3 . . 4.070 3.303 2.069 3.710 . 0 0 "[ . 1 . 2]" 1
778 1 15 VAL HB 1 53 LYS HB2 . . 4.580 4.395 4.081 4.592 0.012 11 0 "[ . 1 . 2]" 1
779 1 15 VAL MG2 1 53 LYS HB2 . . 4.020 2.104 1.977 2.255 . 0 0 "[ . 1 . 2]" 1
780 1 23 TRP HB2 1 25 PHE QE . . 4.500 2.906 2.711 3.145 . 0 0 "[ . 1 . 2]" 1
781 1 17 LEU QD 1 25 PHE QE . . 4.150 2.959 2.625 3.197 . 0 0 "[ . 1 . 2]" 1
782 1 25 PHE QE 1 63 ILE MD . . 4.270 3.673 3.111 4.223 . 0 0 "[ . 1 . 2]" 1
783 1 25 PHE QE 1 27 LEU MD2 . . 3.590 3.624 3.304 3.983 0.393 8 0 "[ . 1 . 2]" 1
784 1 25 PHE QE 1 27 LEU MD1 . . 4.020 2.800 2.531 3.068 . 0 0 "[ . 1 . 2]" 1
785 1 25 PHE QE 1 88 LEU MD2 . . 4.480 3.490 3.077 3.790 . 0 0 "[ . 1 . 2]" 1
786 1 25 PHE QE 1 86 LEU QD . . 3.920 2.077 1.884 2.233 . 0 0 "[ . 1 . 2]" 1
787 1 25 PHE QE 1 27 LEU HG . . 4.300 3.227 3.003 3.624 . 0 0 "[ . 1 . 2]" 1
788 1 25 PHE QE 1 48 ALA MB . . 4.640 4.359 4.119 4.621 . 0 0 "[ . 1 . 2]" 1
789 1 35 GLU H 1 35 GLU HG3 . . 4.590 3.690 3.026 4.411 . 0 0 "[ . 1 . 2]" 1
790 1 30 GLY H 1 35 GLU HG3 . . 5.500 4.723 4.238 4.814 . 0 0 "[ . 1 . 2]" 1
791 1 35 GLU HA 1 35 GLU HG3 . . 3.880 3.195 2.488 3.671 . 0 0 "[ . 1 . 2]" 1
792 1 29 GLY QA 1 35 GLU HG3 . . 5.030 3.542 2.830 4.214 . 0 0 "[ . 1 . 2]" 1
793 1 35 GLU HG3 1 36 PRO HD2 . . 4.380 4.154 3.829 4.317 . 0 0 "[ . 1 . 2]" 1
794 1 35 GLU H 1 35 GLU HG2 . . 4.590 3.908 3.317 4.515 . 0 0 "[ . 1 . 2]" 1
795 1 74 GLU HG2 1 75 ALA H . . 5.300 3.762 3.253 4.429 . 0 0 "[ . 1 . 2]" 1
796 1 30 GLY H 1 35 GLU HG2 . . 5.500 5.000 4.512 5.225 . 0 0 "[ . 1 . 2]" 1
797 1 35 GLU HA 1 35 GLU HG2 . . 3.880 2.450 2.181 2.774 . 0 0 "[ . 1 . 2]" 1
798 1 35 GLU HG2 1 36 PRO HD2 . . 4.380 3.213 2.541 3.958 . 0 0 "[ . 1 . 2]" 1
799 1 28 LYS HB2 1 29 GLY H . . 3.860 2.295 2.043 2.507 . 0 0 "[ . 1 . 2]" 1
800 1 28 LYS HB3 1 40 SER HB2 . . 4.270 2.210 2.001 2.338 . 0 0 "[ . 1 . 2]" 1
801 1 74 GLU HG2 1 78 LEU QD . . 4.140 3.281 2.688 4.030 . 0 0 "[ . 1 . 2]" 1
802 1 25 PHE HZ 1 79 ILE MG . . 4.910 2.794 2.255 3.427 . 0 0 "[ . 1 . 2]" 1
803 1 25 PHE HZ 1 88 LEU MD1 . . 4.620 2.985 2.575 3.253 . 0 0 "[ . 1 . 2]" 1
804 1 25 PHE HZ 1 86 LEU QD . . 4.230 2.561 2.244 2.850 . 0 0 "[ . 1 . 2]" 1
805 1 42 ILE MG 1 43 GLU QG . . 4.630 4.419 4.225 4.560 . 0 0 "[ . 1 . 2]" 1
806 1 41 LYS QB 1 42 ILE H . . 3.720 3.540 3.475 3.625 . 0 0 "[ . 1 . 2]" 1
807 1 25 PHE HA 1 41 LYS QB . . 5.040 5.082 4.750 5.288 0.248 6 0 "[ . 1 . 2]" 1
808 1 41 LYS QB 1 41 LYS QE . . 4.480 3.584 3.370 3.785 . 0 0 "[ . 1 . 2]" 1
809 1 59 GLU H 1 59 GLU HG3 . . 4.990 4.525 4.452 4.667 . 0 0 "[ . 1 . 2]" 1
810 1 59 GLU HA 1 59 GLU HG3 . . 3.980 2.436 2.250 3.475 . 0 0 "[ . 1 . 2]" 1
811 1 41 LYS QE 1 43 GLU QG . . 4.530 2.759 1.983 3.600 . 0 0 "[ . 1 . 2]" 1
812 1 43 GLU QG 1 44 ASP H . . 4.740 4.358 4.155 4.636 . 0 0 "[ . 1 . 2]" 1
813 1 43 GLU H 1 43 GLU QG . . 3.400 2.085 1.880 2.319 . 0 0 "[ . 1 . 2]" 1
814 1 25 PHE HA 1 43 GLU QG . . 5.190 4.559 4.205 4.831 . 0 0 "[ . 1 . 2]" 1
815 1 42 ILE HA 1 43 GLU QG . . 4.060 3.886 3.720 4.046 . 0 0 "[ . 1 . 2]" 1
816 1 43 GLU HA 1 43 GLU QG . . 3.460 2.511 2.321 2.777 . 0 0 "[ . 1 . 2]" 1
817 1 24 GLY HA2 1 43 GLU QG . . 3.900 2.298 2.007 3.037 . 0 0 "[ . 1 . 2]" 1
818 1 26 THR MG 1 43 GLU QG . . 5.500 4.487 4.058 4.941 . 0 0 "[ . 1 . 2]" 1
819 1 59 GLU H 1 59 GLU HG2 . . 4.990 4.579 4.418 4.663 . 0 0 "[ . 1 . 2]" 1
820 1 79 ILE HA 1 79 ILE HG13 . . 3.310 2.766 2.715 2.810 . 0 0 "[ . 1 . 2]" 1
821 1 79 ILE HA 1 82 SER H . . 5.450 3.601 3.009 4.178 . 0 0 "[ . 1 . 2]" 1
822 1 76 LEU HA 1 79 ILE HA . . 5.500 5.593 5.451 5.758 0.258 14 0 "[ . 1 . 2]" 1
823 1 79 ILE HA 1 79 ILE HG12 . . 3.650 2.877 2.845 2.898 . 0 0 "[ . 1 . 2]" 1
824 1 78 LEU HG 1 79 ILE HA . . 4.390 5.020 4.940 5.160 0.770 14 20 [**********-**+******] 1
825 1 63 ILE MG 1 79 ILE HA . . 3.890 3.413 3.097 3.783 . 0 0 "[ . 1 . 2]" 1
826 1 79 ILE HA 1 86 LEU QD . . 3.540 2.926 2.656 3.119 . 0 0 "[ . 1 . 2]" 1
827 1 16 GLN HA 1 16 GLN HG2 . . 3.910 2.879 2.466 3.128 . 0 0 "[ . 1 . 2]" 1
828 1 16 GLN HG2 1 87 LYS HG3 . . 4.350 3.826 3.205 4.250 . 0 0 "[ . 1 . 2]" 1
829 1 16 GLN HG2 1 85 ILE MG . . 3.650 2.389 2.121 2.716 . 0 0 "[ . 1 . 2]" 1
830 1 16 GLN HG2 1 87 LYS HG2 . . 5.070 4.179 3.715 4.530 . 0 0 "[ . 1 . 2]" 1
831 1 16 GLN HG2 1 17 LEU H . . 4.290 3.628 3.167 4.080 . 0 0 "[ . 1 . 2]" 1
832 1 16 GLN HG2 1 87 LYS QD . . 5.200 4.637 2.432 5.149 . 0 0 "[ . 1 . 2]" 1
833 1 16 GLN HG3 1 17 LEU H . . 4.290 3.965 3.612 4.314 0.024 20 0 "[ . 1 . 2]" 1
834 1 16 GLN HG3 1 87 LYS QD . . 5.200 3.495 2.042 3.819 . 0 0 "[ . 1 . 2]" 1
835 1 16 GLN HG3 1 87 LYS HG2 . . 5.070 2.528 2.122 3.235 . 0 0 "[ . 1 . 2]" 1
836 1 16 GLN HG3 1 87 LYS HG3 . . 4.350 2.550 1.991 2.885 . 0 0 "[ . 1 . 2]" 1
837 1 23 TRP HD1 1 86 LEU QD . . 4.730 3.154 2.779 3.493 . 0 0 "[ . 1 . 2]" 1
838 1 52 GLN QG 1 53 LYS H . . 5.010 4.552 4.460 4.726 . 0 0 "[ . 1 . 2]" 1
839 1 52 GLN HA 1 52 GLN QG . . 3.310 2.496 2.313 2.905 . 0 0 "[ . 1 . 2]" 1
840 1 92 ARG HB3 1 92 ARG HE . . 5.090 3.375 2.434 4.522 . 0 0 "[ . 1 . 2]" 1
841 1 77 ILE HA 1 80 LYS H . . 4.370 3.508 3.271 3.706 . 0 0 "[ . 1 . 2]" 1
842 1 77 ILE HA 1 81 GLY H . . 5.500 5.108 4.148 5.529 0.029 15 0 "[ . 1 . 2]" 1
843 1 77 ILE HA 1 80 LYS QB . . 3.600 3.028 2.559 3.515 . 0 0 "[ . 1 . 2]" 1
844 1 77 ILE HA 1 77 ILE HG13 . . 3.440 2.888 2.608 3.075 . 0 0 "[ . 1 . 2]" 1
845 1 76 LEU HB2 1 77 ILE HA . . 4.800 4.133 4.015 4.296 . 0 0 "[ . 1 . 2]" 1
846 1 77 ILE HA 1 77 ILE HG12 . . 3.400 2.554 2.432 2.690 . 0 0 "[ . 1 . 2]" 1
847 1 77 ILE HA 1 80 LYS HG3 . . 4.920 3.182 2.284 4.795 . 0 0 "[ . 1 . 2]" 1
848 1 58 ASP HA 1 92 ARG HB2 . . 5.320 4.960 3.819 5.438 0.118 14 0 "[ . 1 . 2]" 1
849 1 85 ILE MG 1 87 LYS HB2 . . 4.650 4.762 4.526 4.913 0.263 19 0 "[ . 1 . 2]" 1
850 1 61 VAL MG1 1 91 ARG HB3 . . 4.870 4.608 4.274 5.038 0.168 15 0 "[ . 1 . 2]" 1
851 1 61 VAL MG2 1 91 ARG HB3 . . 5.040 4.047 3.501 4.282 . 0 0 "[ . 1 . 2]" 1
852 1 12 TYR HA 1 91 ARG HB2 . . 4.860 4.468 4.075 4.842 . 0 0 "[ . 1 . 2]" 1
853 1 18 GLN H 1 18 GLN QG . . 4.280 3.297 3.172 3.598 . 0 0 "[ . 1 . 2]" 1
854 1 18 GLN QG 1 86 LEU H . . 5.350 4.440 4.165 4.685 . 0 0 "[ . 1 . 2]" 1
855 1 18 GLN HA 1 18 GLN QG . . 3.720 2.370 2.251 2.451 . 0 0 "[ . 1 . 2]" 1
856 1 18 GLN QG 1 85 ILE HA . . 3.970 3.692 3.482 3.848 . 0 0 "[ . 1 . 2]" 1
857 1 18 GLN QG 1 19 GLY HA2 . . 5.500 5.762 5.360 5.845 0.345 11 0 "[ . 1 . 2]" 1
858 1 18 GLN QG 1 85 ILE QG . . 4.030 2.020 1.936 2.280 . 0 0 "[ . 1 . 2]" 1
859 1 18 GLN QG 1 85 ILE MG . . 3.660 2.687 2.332 2.977 . 0 0 "[ . 1 . 2]" 1
860 1 85 ILE MG 1 87 LYS HB3 . . 5.450 5.249 5.135 5.355 . 0 0 "[ . 1 . 2]" 1
861 1 35 GLU HB2 1 36 PRO HD3 . . 4.780 4.863 4.745 4.909 0.129 1 0 "[ . 1 . 2]" 1
862 1 64 ASN HA 1 87 LYS HB2 . . 3.800 2.612 2.338 2.777 . 0 0 "[ . 1 . 2]" 1
863 1 87 LYS HB2 1 88 LEU MD2 . . 5.210 4.633 4.386 4.785 . 0 0 "[ . 1 . 2]" 1
864 1 87 LYS HB2 1 89 ILE MD . . 5.500 4.394 4.174 4.670 . 0 0 "[ . 1 . 2]" 1
865 1 73 GLN H 1 73 GLN HG2 . . 4.130 3.650 2.780 3.878 . 0 0 "[ . 1 . 2]" 1
866 1 73 GLN HA 1 73 GLN HG2 . . 3.740 3.537 2.928 3.656 . 0 0 "[ . 1 . 2]" 1
867 1 73 GLN HG2 1 77 ILE MD . . 3.660 3.701 3.371 3.925 0.265 17 0 "[ . 1 . 2]" 1
868 1 73 GLN HA 1 73 GLN HG3 . . 3.740 2.686 2.412 3.557 . 0 0 "[ . 1 . 2]" 1
869 1 73 GLN HG3 1 77 ILE MD . . 3.660 3.028 2.368 3.400 . 0 0 "[ . 1 . 2]" 1
870 1 35 GLU HB3 1 36 PRO HD3 . . 4.210 3.783 3.554 3.888 . 0 0 "[ . 1 . 2]" 1
871 1 87 LYS HB2 1 88 LEU H . . 4.960 4.427 4.301 4.517 . 0 0 "[ . 1 . 2]" 1
872 1 11 GLN HG3 1 12 TYR H . . 4.190 3.011 2.432 4.044 . 0 0 "[ . 1 . 2]" 1
873 1 11 GLN HA 1 11 GLN HG3 . . 4.000 2.623 2.427 3.612 . 0 0 "[ . 1 . 2]" 1
874 1 11 GLN HG2 1 12 TYR H . . 4.190 3.401 2.257 4.175 . 0 0 "[ . 1 . 2]" 1
875 1 11 GLN HA 1 11 GLN HG2 . . 4.000 3.311 2.610 3.860 . 0 0 "[ . 1 . 2]" 1
876 1 51 SER QB 1 53 LYS HG2 . . 4.370 2.944 2.350 3.813 . 0 0 "[ . 1 . 2]" 1
877 1 51 SER QB 1 53 LYS HB2 . . 4.660 3.009 2.551 3.359 . 0 0 "[ . 1 . 2]" 1
878 1 51 SER QB 1 53 LYS HG3 . . 5.060 3.154 2.284 4.232 . 0 0 "[ . 1 . 2]" 1
879 1 56 THR HA 1 58 ASP H . . 3.940 3.666 3.401 3.830 . 0 0 "[ . 1 . 2]" 1
880 1 40 SER HA 1 56 THR HA . . 5.180 4.603 4.182 4.948 . 0 0 "[ . 1 . 2]" 1
881 1 55 ARG HA 1 56 THR HA . . 5.500 4.298 4.293 4.314 . 0 0 "[ . 1 . 2]" 1
882 1 39 VAL HB 1 56 THR HA . . 3.880 2.067 1.997 2.238 . 0 0 "[ . 1 . 2]" 1
883 1 39 VAL H 1 56 THR HA . . 4.920 4.529 4.348 4.745 . 0 0 "[ . 1 . 2]" 1
884 1 28 LYS QD 1 40 SER HB3 . . 4.040 3.916 2.758 4.322 0.282 12 0 "[ . 1 . 2]" 1
885 1 28 LYS HB2 1 40 SER HB3 . . 4.180 3.732 3.615 3.797 . 0 0 "[ . 1 . 2]" 1
886 1 28 LYS HB3 1 40 SER HB3 . . 4.180 2.038 1.984 2.119 . 0 0 "[ . 1 . 2]" 1
887 1 28 LYS QG 1 40 SER HB3 . . 3.770 2.757 1.986 3.828 0.058 16 0 "[ . 1 . 2]" 1
888 1 27 LEU MD2 1 40 SER HB3 . . 5.500 4.681 4.510 4.854 . 0 0 "[ . 1 . 2]" 1
889 1 39 VAL MG1 1 40 SER HB3 . . 5.500 4.609 4.473 4.787 . 0 0 "[ . 1 . 2]" 1
890 1 40 SER H 1 40 SER HB2 . . 3.800 3.692 3.641 3.749 . 0 0 "[ . 1 . 2]" 1
891 1 27 LEU HA 1 40 SER HB2 . . 4.850 4.452 4.285 4.733 . 0 0 "[ . 1 . 2]" 1
892 1 28 LYS HB2 1 40 SER HB2 . . 4.270 3.716 3.590 3.828 . 0 0 "[ . 1 . 2]" 1
893 1 39 VAL MG1 1 40 SER HB2 . . 5.340 5.140 5.009 5.240 . 0 0 "[ . 1 . 2]" 1
894 1 18 GLN HB2 1 19 GLY H . . 4.170 4.155 3.958 4.396 0.226 4 0 "[ . 1 . 2]" 1
895 1 54 MET HA 1 54 MET HG3 . . 4.000 3.757 3.721 3.791 . 0 0 "[ . 1 . 2]" 1
896 1 53 LYS HB2 1 54 MET HG3 . . 4.970 4.506 4.260 4.673 . 0 0 "[ . 1 . 2]" 1
897 1 15 VAL MG1 1 54 MET HG3 . . 3.850 3.444 3.259 3.547 . 0 0 "[ . 1 . 2]" 1
898 1 15 VAL MG2 1 54 MET HG3 . . 3.640 3.522 3.326 3.644 0.004 19 0 "[ . 1 . 2]" 1
899 1 42 ILE MD 1 54 MET HG3 . . 4.510 2.921 2.661 3.072 . 0 0 "[ . 1 . 2]" 1
900 1 53 LYS HB2 1 54 MET HG2 . . 4.970 3.029 2.836 3.163 . 0 0 "[ . 1 . 2]" 1
901 1 15 VAL MG2 1 54 MET HG2 . . 3.640 2.082 1.971 2.255 . 0 0 "[ . 1 . 2]" 1
902 1 80 LYS H 1 80 LYS QB . . 3.220 2.416 2.141 2.677 . 0 0 "[ . 1 . 2]" 1
903 1 23 TRP HZ2 1 82 SER HB2 . . 4.350 2.369 1.995 3.038 . 0 0 "[ . 1 . 2]" 1
904 1 14 PRO HB2 1 89 ILE MD . . 4.420 3.505 3.282 3.653 . 0 0 "[ . 1 . 2]" 1
905 1 82 SER HB2 1 86 LEU QD . . 4.030 2.150 1.786 3.476 . 0 0 "[ . 1 . 2]" 1
906 1 23 TRP HZ2 1 82 SER HB3 . . 4.350 3.517 1.988 4.223 . 0 0 "[ . 1 . 2]" 1
907 1 13 VAL HA 1 14 PRO HB3 . . 5.500 5.000 4.914 5.064 . 0 0 "[ . 1 . 2]" 1
908 1 39 VAL HB 1 40 SER HA . . 5.500 4.944 4.859 5.032 . 0 0 "[ . 1 . 2]" 1
909 1 39 VAL HB 1 55 ARG HA . . 5.500 4.938 4.685 5.327 . 0 0 "[ . 1 . 2]" 1
910 1 14 PRO HB2 1 89 ILE HG13 . . 4.200 3.616 3.411 3.969 . 0 0 "[ . 1 . 2]" 1
911 1 84 ARG HB3 1 85 ILE QG . . 5.010 3.310 2.613 4.492 . 0 0 "[ . 1 . 2]" 1
912 1 25 PHE QD 1 39 VAL HA . . 4.650 4.439 4.167 4.617 . 0 0 "[ . 1 . 2]" 1
913 1 27 LEU HA 1 39 VAL HA . . 3.800 2.518 2.263 2.719 . 0 0 "[ . 1 . 2]" 1
914 1 27 LEU MD2 1 39 VAL HA . . 3.320 2.141 1.967 2.335 . 0 0 "[ . 1 . 2]" 1
915 1 28 LYS H 1 39 VAL HA . . 4.690 4.333 4.106 4.602 . 0 0 "[ . 1 . 2]" 1
916 1 38 THR HB 1 39 VAL HA . . 5.370 4.828 4.670 4.972 . 0 0 "[ . 1 . 2]" 1
917 1 39 VAL HA 1 40 SER HB3 . . 5.500 4.272 4.217 4.391 . 0 0 "[ . 1 . 2]" 1
918 1 39 VAL HA 1 56 THR HA . . 5.500 4.453 4.347 4.658 . 0 0 "[ . 1 . 2]" 1
919 1 27 LEU HG 1 39 VAL HA . . 4.800 3.716 3.524 4.066 . 0 0 "[ . 1 . 2]" 1
920 1 36 PRO HA 1 37 LEU H . . 3.120 2.229 2.153 2.314 . 0 0 "[ . 1 . 2]" 1
921 1 36 PRO HA 1 37 LEU HA . . 4.450 4.497 4.407 4.571 0.121 8 0 "[ . 1 . 2]" 1
922 1 36 PRO HA 1 37 LEU MD1 . . 5.500 5.440 5.278 5.499 . 0 0 "[ . 1 . 2]" 1
923 1 36 PRO HB3 1 37 LEU H . . 4.270 4.339 4.111 4.468 0.198 8 0 "[ . 1 . 2]" 1
924 1 58 ASP HA 1 59 GLU HB3 . . 5.250 4.883 4.721 5.023 . 0 0 "[ . 1 . 2]" 1
925 1 38 THR MG 1 59 GLU HB3 . . 4.350 3.594 3.261 3.871 . 0 0 "[ . 1 . 2]" 1
926 1 59 GLU HB3 1 91 ARG HG2 . . 4.420 2.215 1.996 3.022 . 0 0 "[ . 1 . 2]" 1
927 1 59 GLU HB2 1 91 ARG HG2 . . 4.800 3.797 3.383 4.701 . 0 0 "[ . 1 . 2]" 1
928 1 59 GLU HB2 1 91 ARG HG3 . . 4.800 3.766 3.477 4.515 . 0 0 "[ . 1 . 2]" 1
929 1 13 VAL H 1 89 ILE HA . . 4.720 4.257 3.931 4.533 . 0 0 "[ . 1 . 2]" 1
930 1 89 ILE HA 1 89 ILE HG12 . . 4.140 3.503 3.448 3.544 . 0 0 "[ . 1 . 2]" 1
931 1 14 PRO HB3 1 89 ILE HA . . 4.590 3.909 3.629 4.250 . 0 0 "[ . 1 . 2]" 1
932 1 59 GLU HB2 1 61 VAL MG1 . . 4.770 4.692 4.521 4.782 0.012 14 0 "[ . 1 . 2]" 1
933 1 23 TRP HB3 1 86 LEU QD . . 4.930 3.640 2.990 3.988 . 0 0 "[ . 1 . 2]" 1
934 1 23 TRP HB2 1 25 PHE QD . . 4.070 2.148 1.997 2.597 . 0 0 "[ . 1 . 2]" 1
935 1 23 TRP HB2 1 86 LEU QD . . 4.930 3.853 3.420 4.044 . 0 0 "[ . 1 . 2]" 1
936 1 23 TRP HB3 1 25 PHE QD . . 4.070 2.411 2.088 2.817 . 0 0 "[ . 1 . 2]" 1
937 1 62 ASN HD22 1 67 PRO HA . . 4.330 3.133 2.979 3.373 . 0 0 "[ . 1 . 2]" 1
938 1 67 PRO HA 1 68 LEU H . . 3.360 2.183 2.151 2.251 . 0 0 "[ . 1 . 2]" 1
939 1 62 ASN HD21 1 67 PRO HA . . 4.330 2.007 1.892 2.428 . 0 0 "[ . 1 . 2]" 1
940 1 62 ASN HA 1 67 PRO HA . . 3.460 2.801 2.657 2.895 . 0 0 "[ . 1 . 2]" 1
941 1 67 PRO HA 1 68 LEU HB2 . . 4.880 4.746 4.625 4.858 . 0 0 "[ . 1 . 2]" 1
942 1 67 PRO HA 1 68 LEU HG . . 4.050 3.817 3.695 4.043 . 0 0 "[ . 1 . 2]" 1
943 1 61 VAL MG2 1 67 PRO HA . . 4.740 4.343 4.090 4.714 . 0 0 "[ . 1 . 2]" 1
944 1 67 PRO HA 1 68 LEU QD . . 5.270 4.288 4.072 4.455 . 0 0 "[ . 1 . 2]" 1
945 1 16 GLN QB 1 17 LEU H . . 4.090 3.913 3.832 3.974 . 0 0 "[ . 1 . 2]" 1
946 1 11 GLN HB3 1 11 GLN HE22 . . 5.020 4.426 3.570 5.340 0.320 13 0 "[ . 1 . 2]" 1
947 1 16 GLN QB 1 87 LYS HA . . 4.250 4.104 3.870 4.331 0.081 3 0 "[ . 1 . 2]" 1
948 1 16 GLN QB 1 87 LYS QD . . 4.600 4.925 3.791 5.264 0.664 11 5 "[ ** . *-1+ . 2]" 1
949 1 11 GLN HB3 1 92 ARG HG2 . . 4.460 3.126 2.116 3.936 . 0 0 "[ . 1 . 2]" 1
950 1 11 GLN HB3 1 92 ARG HG3 . . 4.460 2.713 2.319 3.658 . 0 0 "[ . 1 . 2]" 1
951 1 11 GLN HB2 1 92 ARG H . . 4.800 4.977 4.498 5.117 0.317 11 0 "[ . 1 . 2]" 1
952 1 24 GLY HA3 1 43 GLU HB2 . . 4.440 2.194 1.999 2.474 . 0 0 "[ . 1 . 2]" 1
953 1 93 ARG H 1 93 ARG HB2 . . 3.750 2.871 2.267 3.611 . 0 0 "[ . 1 . 2]" 1
954 1 93 ARG HB3 1 94 ASN H . . 4.630 3.659 2.793 4.610 . 0 0 "[ . 1 . 2]" 1
955 1 79 ILE HG12 1 80 LYS H . . 5.250 5.006 4.903 5.123 . 0 0 "[ . 1 . 2]" 1
956 1 24 GLY HA3 1 43 GLU HB3 . . 4.650 3.879 3.606 4.211 . 0 0 "[ . 1 . 2]" 1
957 1 24 GLY HA2 1 43 GLU HB3 . . 4.790 4.156 3.795 4.367 . 0 0 "[ . 1 . 2]" 1
958 1 79 ILE H 1 79 ILE HG12 . . 4.080 3.509 3.442 3.831 . 0 0 "[ . 1 . 2]" 1
959 1 79 ILE HG12 1 86 LEU QD . . 3.880 2.885 2.513 3.044 . 0 0 "[ . 1 . 2]" 1
960 1 79 ILE HG13 1 79 ILE MG . . 3.570 3.127 3.116 3.141 . 0 0 "[ . 1 . 2]" 1
961 1 79 ILE HG13 1 86 LEU QD . . 4.640 3.966 3.703 4.058 . 0 0 "[ . 1 . 2]" 1
962 1 14 PRO HA 1 89 ILE H . . 4.910 4.428 4.218 4.575 . 0 0 "[ . 1 . 2]" 1
963 1 14 PRO HA 1 89 ILE HA . . 3.380 2.265 2.046 2.525 . 0 0 "[ . 1 . 2]" 1
964 1 14 PRO HA 1 89 ILE HG12 . . 4.270 3.872 3.742 4.085 . 0 0 "[ . 1 . 2]" 1
965 1 14 PRO HA 1 89 ILE HG13 . . 3.460 2.126 2.001 2.337 . 0 0 "[ . 1 . 2]" 1
966 1 14 PRO HA 1 15 VAL HB . . 4.790 4.759 4.724 4.795 0.005 15 0 "[ . 1 . 2]" 1
967 1 15 VAL HA 1 16 GLN QB . . 4.250 4.199 4.097 4.265 0.015 17 0 "[ . 1 . 2]" 1
968 1 15 VAL HA 1 53 LYS HB2 . . 4.980 3.351 3.052 3.783 . 0 0 "[ . 1 . 2]" 1
969 1 15 VAL HA 1 53 LYS HG3 . . 5.210 3.178 2.817 3.590 . 0 0 "[ . 1 . 2]" 1
970 1 15 VAL HA 1 15 VAL MG1 . . 3.240 2.299 2.249 2.391 . 0 0 "[ . 1 . 2]" 1
971 1 60 LEU MD2 1 61 VAL HA . . 4.760 3.498 3.342 3.613 . 0 0 "[ . 1 . 2]" 1
972 1 61 VAL HA 1 68 LEU HB3 . . 4.510 4.579 4.291 4.793 0.283 18 0 "[ . 1 . 2]" 1
973 1 22 PRO HA 1 24 GLY H . . 4.710 4.240 3.972 4.558 . 0 0 "[ . 1 . 2]" 1
974 1 21 ALA H 1 22 PRO HA . . 4.800 4.660 4.624 4.710 . 0 0 "[ . 1 . 2]" 1
975 1 21 ALA HA 1 22 PRO HA . . 3.360 2.506 2.371 2.592 . 0 0 "[ . 1 . 2]" 1
976 1 14 PRO HA 1 15 VAL HA . . 4.890 4.534 4.442 4.594 . 0 0 "[ . 1 . 2]" 1
977 1 15 VAL HA 1 16 GLN HA . . 5.250 4.447 4.401 4.489 . 0 0 "[ . 1 . 2]" 1
978 1 15 VAL HA 1 53 LYS HB3 . . 4.840 3.404 2.671 3.843 . 0 0 "[ . 1 . 2]" 1
979 1 30 GLY HA3 1 72 ARG HB3 . . 4.680 4.278 3.766 4.630 . 0 0 "[ . 1 . 2]" 1
980 1 30 GLY HA3 1 72 ARG HB2 . . 4.680 2.844 2.417 3.283 . 0 0 "[ . 1 . 2]" 1
981 1 51 SER HA 1 52 GLN HB2 . . 4.800 4.307 4.174 4.409 . 0 0 "[ . 1 . 2]" 1
982 1 51 SER HA 1 52 GLN QG . . 5.190 4.393 4.041 4.871 . 0 0 "[ . 1 . 2]" 1
983 1 47 LYS HA 1 51 SER H . . 4.970 4.004 3.700 4.693 . 0 0 "[ . 1 . 2]" 1
984 1 47 LYS HA 1 47 LYS HD3 . . 4.450 3.130 2.067 4.085 . 0 0 "[ . 1 . 2]" 1
985 1 47 LYS HA 1 47 LYS HG3 . . 3.610 3.273 2.211 3.860 0.250 19 0 "[ . 1 . 2]" 1
986 1 47 LYS HA 1 50 LEU HB2 . . 3.930 2.462 2.202 2.796 . 0 0 "[ . 1 . 2]" 1
987 1 47 LYS HA 1 47 LYS HD2 . . 4.450 2.920 2.061 3.547 . 0 0 "[ . 1 . 2]" 1
988 1 47 LYS HA 1 47 LYS HG2 . . 3.610 3.195 2.842 3.635 0.025 9 0 "[ . 1 . 2]" 1
989 1 18 GLN HA 1 23 TRP HH2 . . 4.630 3.764 3.413 4.466 . 0 0 "[ . 1 . 2]" 1
990 1 19 GLY H 1 23 TRP HH2 . . 4.860 3.873 3.307 4.357 . 0 0 "[ . 1 . 2]" 1
991 1 87 LYS H 1 87 LYS QD . . 4.410 4.297 2.730 4.627 0.217 4 0 "[ . 1 . 2]" 1
992 1 87 LYS HA 1 87 LYS QD . . 4.320 4.025 2.747 4.186 . 0 0 "[ . 1 . 2]" 1
993 1 64 ASN HA 1 87 LYS QD . . 4.950 4.390 4.129 4.549 . 0 0 "[ . 1 . 2]" 1
994 1 87 LYS HB3 1 87 LYS QD . . 3.540 2.751 2.645 3.466 . 0 0 "[ . 1 . 2]" 1
995 1 85 ILE MG 1 87 LYS QD . . 3.610 3.299 1.905 3.619 0.009 15 0 "[ . 1 . 2]" 1
996 1 73 GLN HA 1 77 ILE HG13 . . 4.720 3.161 2.704 3.534 . 0 0 "[ . 1 . 2]" 1
997 1 80 LYS QB 1 80 LYS QD . . 3.190 2.159 2.083 2.350 . 0 0 "[ . 1 . 2]" 1
998 1 80 LYS H 1 80 LYS QD . . 4.680 3.658 2.018 4.041 . 0 0 "[ . 1 . 2]" 1
999 1 80 LYS QD 1 81 GLY H . . 5.290 4.698 3.787 5.025 . 0 0 "[ . 1 . 2]" 1
1000 1 77 ILE H 1 77 ILE HG12 . . 3.850 3.441 3.197 3.852 0.002 1 0 "[ . 1 . 2]" 1
1001 1 73 GLN HA 1 77 ILE HG12 . . 4.860 4.695 4.227 5.092 0.232 1 0 "[ . 1 . 2]" 1
1002 1 63 ILE HA 1 64 ASN H . . 3.240 2.146 2.140 2.173 . 0 0 "[ . 1 . 2]" 1
1003 1 63 ILE HA 1 88 LEU HA . . 3.740 2.824 2.699 2.990 . 0 0 "[ . 1 . 2]" 1
1004 1 63 ILE HA 1 64 ASN HA . . 4.590 4.365 4.363 4.373 . 0 0 "[ . 1 . 2]" 1
1005 1 63 ILE HA 1 63 ILE MD . . 3.870 3.823 3.668 3.884 0.014 20 0 "[ . 1 . 2]" 1
1006 1 63 ILE HA 1 88 LEU MD2 . . 3.290 1.963 1.910 2.057 . 0 0 "[ . 1 . 2]" 1
1007 1 28 LYS H 1 28 LYS QD . . 4.800 3.975 1.876 4.676 . 0 0 "[ . 1 . 2]" 1
1008 1 28 LYS HA 1 28 LYS QD . . 4.360 4.177 3.609 4.365 0.005 7 0 "[ . 1 . 2]" 1
1009 1 28 LYS QD 1 40 SER HA . . 4.070 3.860 3.573 4.046 . 0 0 "[ . 1 . 2]" 1
1010 1 28 LYS QD 1 40 SER HB2 . . 4.020 3.767 3.552 3.914 . 0 0 "[ . 1 . 2]" 1
1011 1 66 THR HA 1 67 PRO HD2 . . 3.230 1.955 1.920 2.029 . 0 0 "[ . 1 . 2]" 1
1012 1 66 THR HA 1 67 PRO HG2 . . 4.240 4.157 4.126 4.217 . 0 0 "[ . 1 . 2]" 1
1013 1 41 LYS QD 1 42 ILE HA . . 4.510 3.328 2.588 4.139 . 0 0 "[ . 1 . 2]" 1
1014 1 41 LYS H 1 41 LYS QD . . 4.810 4.355 3.928 4.652 . 0 0 "[ . 1 . 2]" 1
1015 1 41 LYS QD 1 43 GLU HA . . 4.750 3.721 3.218 4.150 . 0 0 "[ . 1 . 2]" 1
1016 1 41 LYS QD 1 43 GLU QG . . 4.690 3.702 2.803 4.426 . 0 0 "[ . 1 . 2]" 1
1017 1 66 THR HA 1 78 LEU QD . . 4.730 4.099 3.910 4.375 . 0 0 "[ . 1 . 2]" 1
1018 1 25 PHE HB2 1 42 ILE HA . . 4.540 3.895 3.740 4.094 . 0 0 "[ . 1 . 2]" 1
1019 1 25 PHE HB3 1 42 ILE HA . . 4.520 3.998 3.796 4.142 . 0 0 "[ . 1 . 2]" 1
1020 1 42 ILE HA 1 43 GLU HB2 . . 4.650 4.554 4.453 4.677 0.027 16 0 "[ . 1 . 2]" 1
1021 1 42 ILE HA 1 42 ILE HG13 . . 3.960 2.935 2.865 3.004 . 0 0 "[ . 1 . 2]" 1
1022 1 42 ILE HA 1 42 ILE MD . . 4.060 3.830 3.788 3.869 . 0 0 "[ . 1 . 2]" 1
1023 1 26 THR HA 1 76 LEU QD . . 4.260 3.269 2.807 3.562 . 0 0 "[ . 1 . 2]" 1
1024 1 26 THR HA 1 27 LEU HG . . 3.940 3.358 3.173 3.680 . 0 0 "[ . 1 . 2]" 1
1025 1 32 GLU HA 1 32 GLU HG2 . . 3.750 2.880 2.211 3.765 0.015 1 0 "[ . 1 . 2]" 1
1026 1 32 GLU HA 1 32 GLU HG3 . . 3.750 3.039 2.273 3.725 . 0 0 "[ . 1 . 2]" 1
1027 1 23 TRP HZ3 1 85 ILE HA . . 4.680 3.969 3.299 4.287 . 0 0 "[ . 1 . 2]" 1
1028 1 85 ILE HA 1 86 LEU HB2 . . 4.730 4.179 4.106 4.315 . 0 0 "[ . 1 . 2]" 1
1029 1 23 TRP HH2 1 85 ILE HA . . 4.030 2.648 2.335 2.949 . 0 0 "[ . 1 . 2]" 1
1030 1 30 GLY HA3 1 72 ARG HA . . 4.770 4.192 3.516 4.734 . 0 0 "[ . 1 . 2]" 1
1031 1 71 SER HA 1 72 ARG HA . . 5.140 4.362 4.336 4.431 . 0 0 "[ . 1 . 2]" 1
1032 1 37 LEU MD2 1 72 ARG HA . . 3.400 2.606 2.022 3.219 . 0 0 "[ . 1 . 2]" 1
1033 1 73 GLN HB3 1 74 GLU H . . 4.400 2.634 2.435 2.818 . 0 0 "[ . 1 . 2]" 1
1034 1 73 GLN HB3 1 77 ILE MD . . 4.880 2.006 1.854 2.382 . 0 0 "[ . 1 . 2]" 1
1035 1 73 GLN H 1 73 GLN HB3 . . 3.760 3.560 3.525 3.611 . 0 0 "[ . 1 . 2]" 1
1036 1 73 GLN H 1 73 GLN HB2 . . 3.760 2.308 2.236 2.440 . 0 0 "[ . 1 . 2]" 1
1037 1 73 GLN HB2 1 74 GLU H . . 4.400 2.339 2.218 2.493 . 0 0 "[ . 1 . 2]" 1
1038 1 73 GLN HB2 1 77 ILE MD . . 4.880 3.470 3.277 3.861 . 0 0 "[ . 1 . 2]" 1
1039 1 13 VAL HA 1 14 PRO HD2 . . 3.180 1.922 1.912 1.940 . 0 0 "[ . 1 . 2]" 1
1040 1 13 VAL HA 1 14 PRO HD3 . . 3.200 2.512 2.375 2.617 . 0 0 "[ . 1 . 2]" 1
1041 1 13 VAL HA 1 14 PRO HG2 . . 4.220 4.122 4.115 4.145 . 0 0 "[ . 1 . 2]" 1
1042 1 79 ILE HB 1 80 LYS HA . . 4.750 4.054 4.006 4.117 . 0 0 "[ . 1 . 2]" 1
1043 1 80 LYS HA 1 80 LYS QD . . 4.240 3.547 2.263 4.521 0.281 8 0 "[ . 1 . 2]" 1
1044 1 80 LYS HA 1 80 LYS HG3 . . 3.790 3.210 2.155 3.829 0.039 11 0 "[ . 1 . 2]" 1
1045 1 79 ILE MD 1 80 LYS HA . . 5.500 5.540 5.491 5.605 0.105 11 0 "[ . 1 . 2]" 1
1046 1 73 GLN HA 1 76 LEU H . . 4.110 4.000 3.879 4.118 0.008 16 0 "[ . 1 . 2]" 1
1047 1 72 ARG HG3 1 73 GLN HA . . 4.790 4.121 3.273 5.146 0.356 7 0 "[ . 1 . 2]" 1
1048 1 73 GLN HA 1 76 LEU HB2 . . 4.060 3.258 3.078 3.417 . 0 0 "[ . 1 . 2]" 1
1049 1 73 GLN HA 1 76 LEU QD . . 3.450 3.153 2.555 3.316 . 0 0 "[ . 1 . 2]" 1
1050 1 82 SER HA 1 83 PHE HB2 . . 4.820 4.372 4.094 4.703 . 0 0 "[ . 1 . 2]" 1
1051 1 82 SER HA 1 86 LEU QD . . 4.690 3.053 2.847 3.371 . 0 0 "[ . 1 . 2]" 1
1052 1 35 GLU HA 1 36 PRO HG2 . . 4.600 4.435 4.389 4.540 . 0 0 "[ . 1 . 2]" 1
1053 1 72 ARG HA 1 72 ARG HG3 . . 4.200 2.633 2.270 2.963 . 0 0 "[ . 1 . 2]" 1
1054 1 25 PHE HB3 1 42 ILE HG13 . . 4.950 4.811 4.645 4.956 0.006 15 0 "[ . 1 . 2]" 1
1055 1 41 LYS HA 1 42 ILE HG13 . . 4.660 3.652 3.553 3.787 . 0 0 "[ . 1 . 2]" 1
1056 1 42 ILE HG13 1 56 THR MG . . 3.970 2.690 2.268 2.952 . 0 0 "[ . 1 . 2]" 1
1057 1 72 ARG HA 1 72 ARG HG2 . . 4.200 3.633 3.300 3.884 . 0 0 "[ . 1 . 2]" 1
1058 1 72 ARG HG2 1 73 GLN HA . . 4.790 4.004 3.242 4.767 . 0 0 "[ . 1 . 2]" 1
1059 1 42 ILE H 1 42 ILE HG12 . . 4.280 4.184 4.048 4.245 . 0 0 "[ . 1 . 2]" 1
1060 1 42 ILE HA 1 42 ILE HG12 . . 3.960 2.537 2.447 2.637 . 0 0 "[ . 1 . 2]" 1
1061 1 25 PHE HB2 1 42 ILE HG12 . . 4.790 2.276 2.043 2.464 . 0 0 "[ . 1 . 2]" 1
1062 1 25 PHE HB3 1 42 ILE HG12 . . 4.720 3.082 2.914 3.237 . 0 0 "[ . 1 . 2]" 1
1063 1 42 ILE HG12 1 48 ALA MB . . 4.180 3.219 3.058 3.479 . 0 0 "[ . 1 . 2]" 1
1064 1 42 ILE HG12 1 56 THR MG . . 4.410 4.204 3.844 4.407 . 0 0 "[ . 1 . 2]" 1
1065 1 38 THR HA 1 59 GLU HB2 . . 4.870 4.540 4.148 4.779 . 0 0 "[ . 1 . 2]" 1
1066 1 35 GLU HA 1 36 PRO HG3 . . 4.600 4.418 4.388 4.491 . 0 0 "[ . 1 . 2]" 1
1067 1 36 PRO HG3 1 38 THR MG . . 4.140 4.143 3.780 4.408 0.268 17 0 "[ . 1 . 2]" 1
1068 1 85 ILE QG 1 86 LEU H . . 4.530 3.950 3.809 4.082 . 0 0 "[ . 1 . 2]" 1
1069 1 85 ILE HA 1 85 ILE QG . . 3.960 2.343 2.267 2.413 . 0 0 "[ . 1 . 2]" 1
1070 1 60 LEU HG 1 61 VAL H . . 4.910 3.868 3.604 4.241 . 0 0 "[ . 1 . 2]" 1
1071 1 84 ARG HB2 1 85 ILE QG . . 5.010 3.419 3.017 4.388 . 0 0 "[ . 1 . 2]" 1
1072 1 85 ILE QG 1 85 ILE MG . . 3.260 2.298 2.198 2.375 . 0 0 "[ . 1 . 2]" 1
1073 1 38 THR HA 1 60 LEU H . . 3.950 2.643 2.342 2.965 . 0 0 "[ . 1 . 2]" 1
1074 1 38 THR HA 1 59 GLU HA . . 3.360 2.251 2.000 2.449 . 0 0 "[ . 1 . 2]" 1
1075 1 38 THR HA 1 39 VAL HB . . 5.060 4.902 4.744 4.999 . 0 0 "[ . 1 . 2]" 1
1076 1 74 GLU HA 1 78 LEU H . . 5.190 4.054 3.910 4.197 . 0 0 "[ . 1 . 2]" 1
1077 1 74 GLU HA 1 77 ILE HB . . 3.410 2.609 2.362 2.897 . 0 0 "[ . 1 . 2]" 1
1078 1 74 GLU HA 1 77 ILE HG13 . . 4.770 4.009 3.586 4.401 . 0 0 "[ . 1 . 2]" 1
1079 1 10 PHE QE 1 93 ARG HG2 . . 4.790 3.279 2.026 4.702 . 0 0 "[ . 1 . 2]" 1
1080 1 10 PHE QE 1 93 ARG HG3 . . 4.790 3.382 2.057 4.866 0.076 11 0 "[ . 1 . 2]" 1
1081 1 66 THR MG 1 67 PRO HG2 . . 4.400 3.618 3.277 3.799 . 0 0 "[ . 1 . 2]" 1
1082 1 66 THR HA 1 67 PRO HG3 . . 4.490 4.329 4.318 4.354 . 0 0 "[ . 1 . 2]" 1
1083 1 16 GLN HA 1 17 LEU HG . . 5.090 3.899 3.702 4.235 . 0 0 "[ . 1 . 2]" 1
1084 1 17 LEU HG 1 88 LEU MD1 . . 4.700 3.365 3.046 3.843 . 0 0 "[ . 1 . 2]" 1
1085 1 13 VAL HA 1 14 PRO HG3 . . 4.600 4.392 4.329 4.448 . 0 0 "[ . 1 . 2]" 1
1086 1 14 PRO HG3 1 89 ILE HG13 . . 4.370 4.221 4.030 4.470 0.100 9 0 "[ . 1 . 2]" 1
1087 1 14 PRO HG3 1 89 ILE MD . . 4.810 4.740 4.379 4.817 0.007 1 0 "[ . 1 . 2]" 1
1088 1 63 ILE H 1 63 ILE HG12 . . 4.250 3.987 3.599 4.178 . 0 0 "[ . 1 . 2]" 1
1089 1 14 PRO HB3 1 89 ILE HG12 . . 4.020 3.206 2.971 3.561 . 0 0 "[ . 1 . 2]" 1
1090 1 89 ILE HG13 1 90 VAL H . . 4.940 4.300 4.183 4.416 . 0 0 "[ . 1 . 2]" 1
1091 1 14 PRO HB3 1 89 ILE HG13 . . 4.110 2.179 1.998 2.530 . 0 0 "[ . 1 . 2]" 1
1092 1 25 PHE QE 1 60 LEU MD1 . . 4.000 2.742 2.325 3.096 . 0 0 "[ . 1 . 2]" 1
1093 1 60 LEU HA 1 60 LEU MD1 . . 4.440 3.776 3.732 3.816 . 0 0 "[ . 1 . 2]" 1
1094 1 60 LEU HB3 1 60 LEU MD1 . . 3.270 2.371 2.259 2.490 . 0 0 "[ . 1 . 2]" 1
1095 1 60 LEU MD1 1 88 LEU MD1 . . 4.130 2.163 1.836 2.523 . 0 0 "[ . 1 . 2]" 1
1096 1 83 PHE HA 1 83 PHE QD . . 3.500 2.532 2.162 3.072 . 0 0 "[ . 1 . 2]" 1
1097 1 51 SER H 1 52 GLN HA . . 5.040 4.933 4.784 5.037 . 0 0 "[ . 1 . 2]" 1
1098 1 31 LEU HA 1 33 HIS H . . 4.730 4.147 3.411 4.562 . 0 0 "[ . 1 . 2]" 1
1099 1 31 LEU HA 1 31 LEU MD2 . . 4.280 3.977 3.565 4.133 . 0 0 "[ . 1 . 2]" 1
1100 1 76 LEU HA 1 79 ILE H . . 4.150 3.506 3.314 3.666 . 0 0 "[ . 1 . 2]" 1
1101 1 76 LEU HA 1 78 LEU H . . 5.390 4.313 4.024 4.591 . 0 0 "[ . 1 . 2]" 1
1102 1 76 LEU HA 1 79 ILE HB . . 3.440 3.346 3.123 3.452 0.012 15 0 "[ . 1 . 2]" 1
1103 1 14 PRO HG2 1 89 ILE MD . . 5.330 5.262 4.991 5.334 0.004 11 0 "[ . 1 . 2]" 1
1104 1 78 LEU H 1 78 LEU HG . . 4.320 4.390 4.337 4.421 0.101 10 0 "[ . 1 . 2]" 1
1105 1 50 LEU HG 1 51 SER H . . 5.410 4.609 4.084 4.829 . 0 0 "[ . 1 . 2]" 1
1106 1 50 LEU HA 1 50 LEU HG . . 3.650 2.845 2.677 3.214 . 0 0 "[ . 1 . 2]" 1
1107 1 60 LEU MD1 1 61 VAL H . . 5.010 4.823 4.675 5.026 0.016 15 0 "[ . 1 . 2]" 1
1108 1 9 SER HA 1 10 PHE H . . 3.220 2.351 2.138 2.908 . 0 0 "[ . 1 . 2]" 1
1109 1 9 SER HA 1 10 PHE QD . . 4.610 3.126 2.581 4.347 . 0 0 "[ . 1 . 2]" 1
1110 1 31 LEU H 1 31 LEU HG . . 4.450 3.589 2.518 4.494 0.044 12 0 "[ . 1 . 2]" 1
1111 1 22 PRO HB2 1 23 TRP HA . . 5.390 4.591 4.239 4.878 . 0 0 "[ . 1 . 2]" 1
1112 1 23 TRP HA 1 47 LYS HD3 . . 4.440 4.039 2.241 5.235 0.795 12 3 "[ . 1 + -.* 2]" 1
1113 1 68 LEU H 1 68 LEU HG . . 4.460 2.184 1.916 2.644 . 0 0 "[ . 1 . 2]" 1
1114 1 86 LEU HG 1 88 LEU HG . . 3.820 3.360 2.459 3.615 . 0 0 "[ . 1 . 2]" 1
1115 1 37 LEU HA 1 37 LEU MD2 . . 4.190 3.848 3.813 3.880 . 0 0 "[ . 1 . 2]" 1
1116 1 37 LEU MD2 1 75 ALA HA . . 5.300 4.477 4.269 4.725 . 0 0 "[ . 1 . 2]" 1
1117 1 37 LEU H 1 37 LEU MD2 . . 4.860 4.222 4.151 4.268 . 0 0 "[ . 1 . 2]" 1
1118 1 30 GLY HA2 1 37 LEU MD2 . . 4.760 3.867 3.393 4.122 . 0 0 "[ . 1 . 2]" 1
1119 1 37 LEU HB2 1 37 LEU MD2 . . 3.600 2.396 2.259 2.534 . 0 0 "[ . 1 . 2]" 1
1120 1 37 LEU HB3 1 37 LEU MD2 . . 3.590 2.282 2.127 2.415 . 0 0 "[ . 1 . 2]" 1
1121 1 12 TYR HA 1 12 TYR QD . . 4.170 2.960 2.603 3.189 . 0 0 "[ . 1 . 2]" 1
1122 1 12 TYR HA 1 91 ARG HA . . 3.600 2.605 2.281 3.039 . 0 0 "[ . 1 . 2]" 1
1123 1 11 GLN HB3 1 12 TYR HA . . 5.500 4.993 4.762 5.182 . 0 0 "[ . 1 . 2]" 1
1124 1 12 TYR HA 1 13 VAL HB . . 5.500 4.872 4.415 5.663 0.163 8 0 "[ . 1 . 2]" 1
1125 1 12 TYR HA 1 91 ARG HB3 . . 4.490 3.841 3.572 4.217 . 0 0 "[ . 1 . 2]" 1
1126 1 12 TYR HA 1 89 ILE MG . . 3.730 3.213 2.848 3.675 . 0 0 "[ . 1 . 2]" 1
1127 1 12 TYR HA 1 92 ARG H . . 4.540 3.997 3.614 4.470 . 0 0 "[ . 1 . 2]" 1
1128 1 23 TRP HA 1 23 TRP HE3 . . 3.650 2.611 2.348 2.860 . 0 0 "[ . 1 . 2]" 1
1129 1 23 TRP HA 1 25 PHE QD . . 4.780 4.526 4.326 4.725 . 0 0 "[ . 1 . 2]" 1
1130 1 23 TRP HA 1 47 LYS HD2 . . 4.440 4.418 3.470 5.042 0.602 4 4 "[* +. - 1 * . 2]" 1
1131 1 17 LEU QD 1 23 TRP HA . . 4.260 3.602 3.163 3.828 . 0 0 "[ . 1 . 2]" 1
1132 1 39 VAL HA 1 40 SER HA . . 4.450 4.383 4.377 4.388 . 0 0 "[ . 1 . 2]" 1
1133 1 40 SER HA 1 41 LYS QB . . 4.870 4.567 4.452 4.679 . 0 0 "[ . 1 . 2]" 1
1134 1 28 LYS QG 1 40 SER HA . . 4.340 3.093 2.272 4.409 0.069 16 0 "[ . 1 . 2]" 1
1135 1 39 VAL MG1 1 40 SER HA . . 4.410 3.712 3.556 3.892 . 0 0 "[ . 1 . 2]" 1
1136 1 63 ILE MG 1 78 LEU HA . . 4.780 4.609 4.485 4.667 . 0 0 "[ . 1 . 2]" 1
1137 1 78 LEU HA 1 81 GLY H . . 4.280 3.919 3.639 4.291 0.011 14 0 "[ . 1 . 2]" 1
1138 1 86 LEU QD 1 88 LEU HG . . 4.180 2.427 2.185 2.832 . 0 0 "[ . 1 . 2]" 1
1139 1 78 LEU H 1 78 LEU QD . . 4.330 3.422 3.321 3.461 . 0 0 "[ . 1 . 2]" 1
1140 1 78 LEU HA 1 78 LEU QD . . 2.870 2.572 2.507 2.684 . 0 0 "[ . 1 . 2]" 1
1141 1 74 GLU HG3 1 78 LEU QD . . 4.140 3.015 2.522 3.335 . 0 0 "[ . 1 . 2]" 1
1142 1 68 LEU HB3 1 78 LEU QD . . 5.310 5.334 5.049 5.612 0.302 9 0 "[ . 1 . 2]" 1
1143 1 75 ALA MB 1 78 LEU QD . . 5.500 4.372 4.286 4.453 . 0 0 "[ . 1 . 2]" 1
1144 1 86 LEU HG 1 88 LEU MD1 . . 4.540 3.816 3.197 4.083 . 0 0 "[ . 1 . 2]" 1
1145 1 10 PHE HA 1 11 GLN HB3 . . 4.590 4.509 4.400 4.590 . 0 0 "[ . 1 . 2]" 1
1146 1 40 SER HA 1 56 THR MG . . 4.090 3.680 3.187 3.860 . 0 0 "[ . 1 . 2]" 1
1147 1 23 TRP HH2 1 84 ARG HA . . 4.190 3.830 3.206 4.220 0.030 14 0 "[ . 1 . 2]" 1
1148 1 20 GLY HA3 1 84 ARG HA . . 3.990 2.687 2.174 3.252 . 0 0 "[ . 1 . 2]" 1
1149 1 20 GLY HA2 1 84 ARG HA . . 3.890 2.645 2.031 3.151 . 0 0 "[ . 1 . 2]" 1
1150 1 84 ARG HA 1 85 ILE QG . . 5.010 4.424 4.226 4.592 . 0 0 "[ . 1 . 2]" 1
1151 1 84 ARG HA 1 84 ARG HG3 . . 4.000 3.091 2.215 3.951 . 0 0 "[ . 1 . 2]" 1
1152 1 78 LEU HA 1 78 LEU HG . . 3.630 2.389 2.339 2.423 . 0 0 "[ . 1 . 2]" 1
1153 1 63 ILE HB 1 78 LEU QD . . 3.480 1.858 1.768 1.944 . 0 0 "[ . 1 . 2]" 1
1154 1 66 THR MG 1 78 LEU QD . . 3.230 2.109 1.854 2.385 . 0 0 "[ . 1 . 2]" 1
1155 1 61 VAL H 1 90 VAL HA . . 3.890 3.351 3.172 3.564 . 0 0 "[ . 1 . 2]" 1
1156 1 60 LEU HA 1 90 VAL HA . . 3.570 2.585 2.321 2.885 . 0 0 "[ . 1 . 2]" 1
1157 1 89 ILE MG 1 90 VAL HA . . 4.100 3.768 3.676 3.906 . 0 0 "[ . 1 . 2]" 1
1158 1 10 PHE HA 1 11 GLN H . . 3.070 2.316 2.229 2.498 . 0 0 "[ . 1 . 2]" 1
1159 1 10 PHE HA 1 92 ARG H . . 4.590 4.590 3.894 4.877 0.287 5 0 "[ . 1 . 2]" 1
1160 1 10 PHE HA 1 10 PHE QD . . 3.900 3.058 2.674 3.194 . 0 0 "[ . 1 . 2]" 1
1161 1 19 GLY H 1 84 ARG HA . . 4.170 3.945 3.715 4.164 . 0 0 "[ . 1 . 2]" 1
1162 1 23 TRP HZ2 1 84 ARG HA . . 4.990 4.571 4.199 4.701 . 0 0 "[ . 1 . 2]" 1
1163 1 84 ARG HA 1 84 ARG HG2 . . 4.000 2.924 2.314 3.809 . 0 0 "[ . 1 . 2]" 1
1164 1 90 VAL HA 1 91 ARG HB3 . . 5.500 4.469 4.282 4.602 . 0 0 "[ . 1 . 2]" 1
1165 1 61 VAL HA 1 68 LEU QD . . 4.080 2.686 2.071 3.260 . 0 0 "[ . 1 . 2]" 1
1166 1 68 LEU HA 1 68 LEU QD . . 3.120 2.189 2.020 2.443 . 0 0 "[ . 1 . 2]" 1
1167 1 68 LEU QD 1 75 ALA HA . . 3.420 2.074 1.856 2.309 . 0 0 "[ . 1 . 2]" 1
1168 1 68 LEU QD 1 79 ILE HG12 . . 5.500 5.881 5.469 6.133 0.633 9 5 "[ * . *+1 . * -]" 1
1169 1 31 LEU H 1 71 SER HA . . 4.540 3.378 2.801 4.257 . 0 0 "[ . 1 . 2]" 1
1170 1 71 SER HA 1 73 GLN H . . 5.050 4.525 4.075 4.844 . 0 0 "[ . 1 . 2]" 1
1171 1 31 LEU HG 1 71 SER HA . . 4.800 3.724 2.171 4.775 . 0 0 "[ . 1 . 2]" 1
1172 1 17 LEU QD 1 23 TRP HE3 . . 3.710 2.297 1.936 2.525 . 0 0 "[ . 1 . 2]" 1
1173 1 17 LEU QD 1 25 PHE QD . . 3.820 3.123 2.833 3.401 . 0 0 "[ . 1 . 2]" 1
1174 1 17 LEU QD 1 23 TRP HZ3 . . 4.590 3.161 3.005 3.435 . 0 0 "[ . 1 . 2]" 1
1175 1 17 LEU QD 1 23 TRP HB2 . . 4.220 3.434 3.274 3.653 . 0 0 "[ . 1 . 2]" 1
1176 1 17 LEU QD 1 47 LYS HB2 . . 4.080 2.829 2.474 3.102 . 0 0 "[ . 1 . 2]" 1
1177 1 17 LEU QD 1 47 LYS HB3 . . 4.080 2.458 2.009 3.117 . 0 0 "[ . 1 . 2]" 1
1178 1 17 LEU QD 1 48 ALA MB . . 3.100 2.866 2.691 3.015 . 0 0 "[ . 1 . 2]" 1
1179 1 17 LEU QD 1 88 LEU MD1 . . 3.530 2.381 2.157 2.663 . 0 0 "[ . 1 . 2]" 1
1180 1 17 LEU QD 1 86 LEU QD . . 3.360 1.774 1.669 1.959 . 0 0 "[ . 1 . 2]" 1
1181 1 27 LEU MD1 1 38 THR H . . 5.490 5.429 5.105 5.502 0.012 9 0 "[ . 1 . 2]" 1
1182 1 27 LEU HA 1 27 LEU MD1 . . 4.590 3.943 3.889 3.984 . 0 0 "[ . 1 . 2]" 1
1183 1 27 LEU MD1 1 72 ARG HA . . 4.880 4.395 3.889 4.762 . 0 0 "[ . 1 . 2]" 1
1184 1 27 LEU MD1 1 76 LEU HA . . 5.050 3.956 3.500 4.365 . 0 0 "[ . 1 . 2]" 1
1185 1 59 GLU HB3 1 91 ARG HG3 . . 4.420 2.768 2.293 3.490 . 0 0 "[ . 1 . 2]" 1
1186 1 27 LEU MD1 1 76 LEU HG . . 3.990 3.471 3.125 3.690 . 0 0 "[ . 1 . 2]" 1
1187 1 27 LEU MD1 1 75 ALA MB . . 3.140 2.376 1.999 2.656 . 0 0 "[ . 1 . 2]" 1
1188 1 68 LEU HB3 1 68 LEU QD . . 3.060 2.106 2.043 2.146 . 0 0 "[ . 1 . 2]" 1
1189 1 63 ILE MD 1 68 LEU QD . . 3.060 1.839 1.703 2.045 . 0 0 "[ . 1 . 2]" 1
1190 1 50 LEU HA 1 52 GLN H . . 4.480 4.236 4.053 4.391 . 0 0 "[ . 1 . 2]" 1
1191 1 50 LEU HA 1 52 GLN QG . . 4.350 3.339 3.176 3.565 . 0 0 "[ . 1 . 2]" 1
1192 1 87 LYS H 1 87 LYS HG2 . . 4.310 4.478 4.349 4.676 0.366 4 0 "[ . 1 . 2]" 1
1193 1 85 ILE MG 1 87 LYS HG2 . . 4.280 3.874 3.657 4.226 . 0 0 "[ . 1 . 2]" 1
1194 1 87 LYS HG3 1 88 LEU H . . 4.810 4.688 3.986 4.831 0.021 16 0 "[ . 1 . 2]" 1
1195 1 17 LEU H 1 88 LEU MD1 . . 4.740 4.787 4.386 5.049 0.309 20 0 "[ . 1 . 2]" 1
1196 1 25 PHE QE 1 88 LEU MD1 . . 3.790 2.931 2.669 3.129 . 0 0 "[ . 1 . 2]" 1
1197 1 79 ILE HG12 1 88 LEU MD1 . . 4.510 4.452 3.908 4.795 0.285 8 0 "[ . 1 . 2]" 1
1198 1 88 LEU HB3 1 88 LEU MD1 . . 3.270 2.481 2.414 2.623 . 0 0 "[ . 1 . 2]" 1
1199 1 88 LEU HB2 1 88 LEU MD1 . . 3.500 2.203 2.011 2.297 . 0 0 "[ . 1 . 2]" 1
1200 1 15 VAL HB 1 88 LEU MD1 . . 3.760 2.941 2.704 3.109 . 0 0 "[ . 1 . 2]" 1
1201 1 54 MET ME 1 88 LEU MD1 . . 3.400 3.138 2.691 3.556 0.156 13 0 "[ . 1 . 2]" 1
1202 1 72 ARG HD3 1 76 LEU QD . . 4.350 3.893 3.446 4.208 . 0 0 "[ . 1 . 2]" 1
1203 1 52 GLN HB2 1 53 LYS HA . . 5.260 4.812 4.648 5.030 . 0 0 "[ . 1 . 2]" 1
1204 1 52 GLN HB3 1 53 LYS HA . . 5.500 4.723 4.547 4.864 . 0 0 "[ . 1 . 2]" 1
1205 1 53 LYS HA 1 53 LYS HD2 . . 4.030 2.630 2.015 4.108 0.078 13 0 "[ . 1 . 2]" 1
1206 1 53 LYS HA 1 53 LYS HG2 . . 3.520 2.832 2.620 3.146 . 0 0 "[ . 1 . 2]" 1
1207 1 53 LYS HA 1 53 LYS HD3 . . 4.030 3.467 2.466 3.831 . 0 0 "[ . 1 . 2]" 1
1208 1 13 VAL MG1 1 53 LYS HA . . 5.040 4.006 3.273 4.934 . 0 0 "[ . 1 . 2]" 1
1209 1 13 VAL MG2 1 53 LYS HA . . 5.040 4.399 3.463 5.073 0.033 14 0 "[ . 1 . 2]" 1
1210 1 15 VAL MG2 1 53 LYS HA . . 5.220 4.038 3.758 4.237 . 0 0 "[ . 1 . 2]" 1
1211 1 80 LYS H 1 80 LYS HG2 . . 4.460 3.086 1.893 4.153 . 0 0 "[ . 1 . 2]" 1
1212 1 80 LYS HA 1 80 LYS HG2 . . 3.790 2.846 2.433 3.799 0.009 14 0 "[ . 1 . 2]" 1
1213 1 77 ILE HA 1 80 LYS HG2 . . 4.920 3.726 2.037 4.775 . 0 0 "[ . 1 . 2]" 1
1214 1 80 LYS H 1 80 LYS HG3 . . 4.460 3.005 1.989 4.284 . 0 0 "[ . 1 . 2]" 1
1215 1 44 ASP HA 1 46 GLY H . . 4.350 3.895 3.585 4.170 . 0 0 "[ . 1 . 2]" 1
1216 1 43 GLU HA 1 44 ASP HA . . 4.580 4.386 4.352 4.433 . 0 0 "[ . 1 . 2]" 1
1217 1 44 ASP HA 1 45 GLY HA2 . . 4.830 4.393 4.317 4.661 . 0 0 "[ . 1 . 2]" 1
1218 1 44 ASP HA 1 49 ALA MB . . 3.650 2.517 1.890 2.839 . 0 0 "[ . 1 . 2]" 1
1219 1 42 ILE MG 1 44 ASP HA . . 4.830 3.959 3.745 4.290 . 0 0 "[ . 1 . 2]" 1
1220 1 42 ILE HA 1 43 GLU HA . . 4.560 4.432 4.374 4.511 . 0 0 "[ . 1 . 2]" 1
1221 1 43 GLU HA 1 44 ASP QB . . 4.380 4.210 4.041 4.364 . 0 0 "[ . 1 . 2]" 1
1222 1 10 PHE QD 1 93 ARG HA . . 4.160 3.182 2.068 3.775 . 0 0 "[ . 1 . 2]" 1
1223 1 10 PHE HA 1 93 ARG HA . . 3.460 2.789 2.007 3.236 . 0 0 "[ . 1 . 2]" 1
1224 1 93 ARG HA 1 94 ASN HA . . 4.830 4.386 4.315 4.616 . 0 0 "[ . 1 . 2]" 1
1225 1 93 ARG HA 1 93 ARG HG2 . . 4.010 3.032 2.316 3.817 . 0 0 "[ . 1 . 2]" 1
1226 1 93 ARG HA 1 93 ARG HG3 . . 4.010 3.137 2.604 3.904 . 0 0 "[ . 1 . 2]" 1
1227 1 53 LYS QE 1 53 LYS HG2 . . 3.870 3.050 2.087 3.390 . 0 0 "[ . 1 . 2]" 1
1228 1 52 GLN HB2 1 53 LYS HG2 . . 4.800 4.169 4.005 4.357 . 0 0 "[ . 1 . 2]" 1
1229 1 15 VAL MG1 1 53 LYS HG2 . . 4.450 3.904 3.526 4.138 . 0 0 "[ . 1 . 2]" 1
1230 1 15 VAL MG2 1 53 LYS HG2 . . 4.360 4.272 4.043 4.360 . 0 0 "[ . 1 . 2]" 1
1231 1 41 LYS H 1 41 LYS HG2 . . 5.140 4.782 4.587 5.001 . 0 0 "[ . 1 . 2]" 1
1232 1 50 LEU MD1 1 51 SER H . . 5.450 4.535 4.196 4.789 . 0 0 "[ . 1 . 2]" 1
1233 1 50 LEU HA 1 50 LEU MD1 . . 4.050 3.854 3.816 3.934 . 0 0 "[ . 1 . 2]" 1
1234 1 45 GLY HA2 1 50 LEU MD1 . . 4.960 4.333 3.754 4.702 . 0 0 "[ . 1 . 2]" 1
1235 1 12 TYR QE 1 91 ARG HD3 . . 4.540 3.308 2.240 4.042 . 0 0 "[ . 1 . 2]" 1
1236 1 53 LYS H 1 53 LYS HG3 . . 4.100 3.846 3.546 4.065 . 0 0 "[ . 1 . 2]" 1
1237 1 53 LYS HA 1 53 LYS HG3 . . 3.860 3.769 3.711 3.818 . 0 0 "[ . 1 . 2]" 1
1238 1 41 LYS QE 1 41 LYS HG2 . . 3.790 2.435 2.066 3.026 . 0 0 "[ . 1 . 2]" 1
1239 1 41 LYS H 1 41 LYS HG3 . . 5.140 4.741 4.182 5.228 0.088 6 0 "[ . 1 . 2]" 1
1240 1 41 LYS HA 1 41 LYS HG3 . . 3.920 3.421 3.192 3.638 . 0 0 "[ . 1 . 2]" 1
1241 1 41 LYS QE 1 41 LYS HG3 . . 3.790 2.581 2.114 2.875 . 0 0 "[ . 1 . 2]" 1
1242 1 60 LEU H 1 60 LEU MD2 . . 4.300 4.263 4.186 4.301 0.001 14 0 "[ . 1 . 2]" 1
1243 1 60 LEU MD2 1 61 VAL H . . 3.280 2.383 2.131 2.774 . 0 0 "[ . 1 . 2]" 1
1244 1 25 PHE QE 1 60 LEU MD2 . . 5.170 4.710 4.191 5.132 . 0 0 "[ . 1 . 2]" 1
1245 1 60 LEU MD2 1 90 VAL HA . . 4.400 4.186 3.936 4.408 0.008 16 0 "[ . 1 . 2]" 1
1246 1 60 LEU MD2 1 63 ILE HA . . 4.210 2.812 2.600 3.040 . 0 0 "[ . 1 . 2]" 1
1247 1 60 LEU HA 1 60 LEU MD2 . . 3.060 2.528 2.348 2.680 . 0 0 "[ . 1 . 2]" 1
1248 1 12 TYR QE 1 89 ILE MG . . 4.000 3.394 3.199 3.641 . 0 0 "[ . 1 . 2]" 1
1249 1 12 TYR QE 1 91 ARG HD2 . . 4.540 3.388 2.312 4.531 . 0 0 "[ . 1 . 2]" 1
1250 1 25 PHE HA 1 25 PHE QD . . 4.070 3.633 3.586 3.659 . 0 0 "[ . 1 . 2]" 1
1251 1 25 PHE HA 1 26 THR HA . . 5.000 4.423 4.394 4.453 . 0 0 "[ . 1 . 2]" 1
1252 1 25 PHE HA 1 42 ILE HA . . 3.580 2.061 1.996 2.146 . 0 0 "[ . 1 . 2]" 1
1253 1 25 PHE HA 1 42 ILE HB . . 5.500 4.562 4.358 4.734 . 0 0 "[ . 1 . 2]" 1
1254 1 25 PHE HA 1 54 MET ME . . 4.930 4.038 3.688 4.285 . 0 0 "[ . 1 . 2]" 1
1255 1 25 PHE HA 1 39 VAL MG1 . . 4.170 3.810 3.515 4.019 . 0 0 "[ . 1 . 2]" 1
1256 1 25 PHE HA 1 42 ILE MG . . 4.420 3.176 2.927 3.454 . 0 0 "[ . 1 . 2]" 1
1257 1 67 PRO QB 1 69 TYR QE . . 4.850 3.859 3.207 4.490 . 0 0 "[ . 1 . 2]" 1
1258 1 41 LYS HA 1 41 LYS QD . . 4.220 3.061 2.495 3.611 . 0 0 "[ . 1 . 2]" 1
1259 1 41 LYS HA 1 41 LYS HG2 . . 3.920 3.126 2.338 3.941 0.021 11 0 "[ . 1 . 2]" 1
1260 1 87 LYS HA 1 88 LEU MD2 . . 4.900 4.174 3.931 4.328 . 0 0 "[ . 1 . 2]" 1
1261 1 86 LEU HA 1 88 LEU MD2 . . 4.500 4.292 3.997 4.496 . 0 0 "[ . 1 . 2]" 1
1262 1 88 LEU MD2 1 89 ILE H . . 4.170 4.115 3.948 4.193 0.023 4 0 "[ . 1 . 2]" 1
1263 1 25 PHE HZ 1 88 LEU MD2 . . 3.750 2.877 2.456 3.171 . 0 0 "[ . 1 . 2]" 1
1264 1 88 LEU HA 1 88 LEU MD2 . . 3.250 2.544 2.338 2.710 . 0 0 "[ . 1 . 2]" 1
1265 1 79 ILE HG12 1 88 LEU MD2 . . 4.280 3.587 2.945 3.917 . 0 0 "[ . 1 . 2]" 1
1266 1 88 LEU HB3 1 88 LEU MD2 . . 3.470 2.132 2.038 2.216 . 0 0 "[ . 1 . 2]" 1
1267 1 88 LEU HB2 1 88 LEU MD2 . . 3.370 3.155 3.128 3.172 . 0 0 "[ . 1 . 2]" 1
1268 1 86 LEU QD 1 88 LEU MD2 . . 3.190 1.878 1.738 2.110 . 0 0 "[ . 1 . 2]" 1
1269 1 86 LEU HB3 1 88 LEU MD2 . . 4.660 3.760 3.469 3.992 . 0 0 "[ . 1 . 2]" 1
1270 1 49 ALA HA 1 51 SER H . . 4.700 4.220 3.865 4.487 . 0 0 "[ . 1 . 2]" 1
1271 1 49 ALA HA 1 52 GLN H . . 4.640 3.390 3.277 3.543 . 0 0 "[ . 1 . 2]" 1
1272 1 31 LEU HA 1 31 LEU MD1 . . 4.280 3.240 2.520 4.028 . 0 0 "[ . 1 . 2]" 1
1273 1 58 ASP HA 1 59 GLU HA . . 4.940 4.372 4.356 4.406 . 0 0 "[ . 1 . 2]" 1
1274 1 58 ASP HA 1 92 ARG HA . . 5.230 4.313 3.875 4.649 . 0 0 "[ . 1 . 2]" 1
1275 1 58 ASP HA 1 59 GLU HB2 . . 4.660 4.223 4.163 4.333 . 0 0 "[ . 1 . 2]" 1
1276 1 58 ASP HA 1 92 ARG HB3 . . 4.650 3.836 2.838 4.421 . 0 0 "[ . 1 . 2]" 1
1277 1 58 ASP HA 1 90 VAL MG2 . . 4.840 4.348 4.054 4.743 . 0 0 "[ . 1 . 2]" 1
1278 1 39 VAL MG2 1 58 ASP HA . . 4.780 4.553 4.254 4.753 . 0 0 "[ . 1 . 2]" 1
1279 1 64 ASN H 1 86 LEU QD . . 4.840 3.782 2.853 4.120 . 0 0 "[ . 1 . 2]" 1
1280 1 64 ASN HD22 1 86 LEU QD . . 4.340 1.954 1.772 2.406 . 0 0 "[ . 1 . 2]" 1
1281 1 64 ASN HD21 1 86 LEU QD . . 4.340 3.148 2.824 3.423 . 0 0 "[ . 1 . 2]" 1
1282 1 63 ILE HA 1 86 LEU QD . . 4.580 4.334 3.904 4.534 . 0 0 "[ . 1 . 2]" 1
1283 1 86 LEU HA 1 86 LEU QD . . 3.180 2.443 2.102 2.591 . 0 0 "[ . 1 . 2]" 1
1284 1 82 SER HB3 1 86 LEU QD . . 4.030 2.185 1.959 2.867 . 0 0 "[ . 1 . 2]" 1
1285 1 78 LEU HG 1 86 LEU QD . . 5.460 5.607 5.378 5.851 0.391 3 0 "[ . 1 . 2]" 1
1286 1 79 ILE HB 1 86 LEU QD . . 5.500 4.539 4.088 4.790 . 0 0 "[ . 1 . 2]" 1
1287 1 86 LEU QD 1 87 LYS HG3 . . 5.500 5.309 4.949 6.062 0.562 20 2 "[ . 1 . - +]" 1
1288 1 86 LEU QD 1 88 LEU HB2 . . 5.500 4.305 4.141 4.539 . 0 0 "[ . 1 . 2]" 1
1289 1 79 ILE MG 1 86 LEU QD . . 3.220 2.466 1.872 2.764 . 0 0 "[ . 1 . 2]" 1
1290 1 58 ASP HA 1 90 VAL HB . . 4.060 3.959 3.703 4.246 0.186 9 0 "[ . 1 . 2]" 1
1291 1 58 ASP HA 1 91 ARG H . . 5.500 5.134 4.766 5.338 . 0 0 "[ . 1 . 2]" 1
1292 1 17 LEU QD 1 48 ALA HA . . 3.190 2.190 2.005 2.382 . 0 0 "[ . 1 . 2]" 1
1293 1 63 ILE HB 1 86 LEU QD . . 5.270 5.263 4.841 5.523 0.253 5 0 "[ . 1 . 2]" 1
1294 1 48 ALA HA 1 51 SER H . . 4.430 3.868 3.680 3.960 . 0 0 "[ . 1 . 2]" 1
1295 1 25 PHE QD 1 48 ALA HA . . 5.170 4.570 4.248 4.872 . 0 0 "[ . 1 . 2]" 1
1296 1 48 ALA HA 1 51 SER QB . . 4.000 3.165 2.878 3.637 . 0 0 "[ . 1 . 2]" 1
1297 1 26 THR HA 1 27 LEU MD2 . . 4.880 4.571 4.237 4.938 0.058 8 0 "[ . 1 . 2]" 1
1298 1 27 LEU MD2 1 38 THR HA . . 4.540 3.077 2.891 3.307 . 0 0 "[ . 1 . 2]" 1
1299 1 27 LEU HB3 1 27 LEU MD2 . . 3.030 2.116 2.020 2.222 . 0 0 "[ . 1 . 2]" 1
1300 1 27 LEU HB2 1 27 LEU MD2 . . 3.140 3.144 3.116 3.173 0.033 10 0 "[ . 1 . 2]" 1
1301 1 37 LEU HA 1 37 LEU MD1 . . 3.110 2.104 1.975 2.315 . 0 0 "[ . 1 . 2]" 1
1302 1 30 GLY HA2 1 37 LEU MD1 . . 3.790 2.492 2.118 2.878 . 0 0 "[ . 1 . 2]" 1
1303 1 37 LEU MD1 1 72 ARG HA . . 3.210 2.291 1.991 2.483 . 0 0 "[ . 1 . 2]" 1
1304 1 37 LEU HB2 1 37 LEU MD1 . . 3.660 2.280 2.159 2.355 . 0 0 "[ . 1 . 2]" 1
1305 1 37 LEU MD1 1 76 LEU HG . . 4.820 4.597 4.235 4.812 . 0 0 "[ . 1 . 2]" 1
1306 1 17 LEU H 1 87 LYS HA . . 4.140 3.624 3.397 3.728 . 0 0 "[ . 1 . 2]" 1
1307 1 87 LYS HA 1 87 LYS HG2 . . 4.180 2.904 2.790 3.582 . 0 0 "[ . 1 . 2]" 1
1308 1 87 LYS HA 1 88 LEU HG . . 4.660 3.543 3.405 3.699 . 0 0 "[ . 1 . 2]" 1
1309 1 87 LYS HA 1 89 ILE MD . . 5.500 4.371 4.203 4.602 . 0 0 "[ . 1 . 2]" 1
1310 1 87 LYS HA 1 87 LYS HG3 . . 3.780 2.591 2.277 2.726 . 0 0 "[ . 1 . 2]" 1
1311 1 85 ILE MG 1 87 LYS HA . . 4.430 4.332 4.220 4.440 0.010 2 0 "[ . 1 . 2]" 1
1312 1 60 LEU HA 1 90 VAL HB . . 4.600 3.834 3.580 4.057 . 0 0 "[ . 1 . 2]" 1
1313 1 60 LEU HA 1 61 VAL H . . 3.320 2.144 2.139 2.165 . 0 0 "[ . 1 . 2]" 1
1314 1 75 ALA HA 1 78 LEU H . . 4.480 3.631 3.354 3.819 . 0 0 "[ . 1 . 2]" 1
1315 1 74 GLU HB3 1 75 ALA HA . . 4.670 4.211 4.042 4.320 . 0 0 "[ . 1 . 2]" 1
1316 1 75 ALA HA 1 76 LEU HG . . 5.500 5.390 5.299 5.528 0.028 11 0 "[ . 1 . 2]" 1
1317 1 75 ALA HA 1 78 LEU HG . . 5.500 5.748 5.626 5.912 0.412 18 0 "[ . 1 . 2]" 1
1318 1 75 ALA HA 1 78 LEU HB3 . . 4.290 3.664 3.459 3.837 . 0 0 "[ . 1 . 2]" 1
1319 1 63 ILE MD 1 75 ALA HA . . 3.190 2.214 1.945 2.581 . 0 0 "[ . 1 . 2]" 1
1320 1 75 ALA HA 1 78 LEU QD . . 3.710 3.500 3.380 3.600 . 0 0 "[ . 1 . 2]" 1
1321 1 27 LEU MD2 1 28 LYS H . . 3.670 3.369 3.008 3.625 . 0 0 "[ . 1 . 2]" 1
1322 1 27 LEU MD2 1 40 SER H . . 3.950 3.531 3.321 3.689 . 0 0 "[ . 1 . 2]" 1
1323 1 27 LEU H 1 27 LEU MD2 . . 4.340 4.142 3.975 4.302 . 0 0 "[ . 1 . 2]" 1
1324 1 27 LEU MD2 1 38 THR H . . 4.270 3.825 3.319 4.146 . 0 0 "[ . 1 . 2]" 1
1325 1 25 PHE QD 1 27 LEU MD2 . . 3.700 3.368 2.921 3.878 0.178 8 0 "[ . 1 . 2]" 1
1326 1 27 LEU HA 1 27 LEU MD2 . . 3.080 2.450 2.266 2.646 . 0 0 "[ . 1 . 2]" 1
1327 1 28 LYS H 1 37 LEU MD1 . . 4.160 3.147 2.731 3.633 . 0 0 "[ . 1 . 2]" 1
1328 1 37 LEU H 1 37 LEU MD1 . . 4.510 3.647 3.415 3.868 . 0 0 "[ . 1 . 2]" 1
1329 1 29 GLY QA 1 37 LEU MD1 . . 4.500 3.714 3.466 4.048 . 0 0 "[ . 1 . 2]" 1
1330 1 86 LEU HG 1 87 LYS HA . . 4.690 4.556 4.032 4.817 0.127 14 0 "[ . 1 . 2]" 1
1331 1 53 LYS HB2 1 54 MET HA . . 5.090 4.762 4.654 4.943 . 0 0 "[ . 1 . 2]" 1
1332 1 54 MET HA 1 54 MET ME . . 4.600 4.448 4.170 4.618 0.018 1 0 "[ . 1 . 2]" 1
1333 1 42 ILE MD 1 54 MET HA . . 4.720 4.651 4.515 4.799 0.079 6 0 "[ . 1 . 2]" 1
1334 1 54 MET HA 1 54 MET HG2 . . 4.000 3.669 3.604 3.746 . 0 0 "[ . 1 . 2]" 1
1335 1 54 MET HA 1 90 VAL MG2 . . 3.960 3.485 3.116 3.890 . 0 0 "[ . 1 . 2]" 1
1336 1 28 LYS QG 1 40 SER HB2 . . 3.990 3.101 2.455 3.754 . 0 0 "[ . 1 . 2]" 1
1337 1 16 GLN HA 1 87 LYS HA . . 3.480 2.550 2.314 2.686 . 0 0 "[ . 1 . 2]" 1
1338 1 16 GLN HA 1 16 GLN HG3 . . 3.910 2.478 2.237 2.729 . 0 0 "[ . 1 . 2]" 1
1339 1 16 GLN HA 1 87 LYS HG3 . . 4.540 3.512 3.048 3.724 . 0 0 "[ . 1 . 2]" 1
1340 1 16 GLN HA 1 87 LYS HG2 . . 4.830 3.801 3.499 4.828 . 0 0 "[ . 1 . 2]" 1
1341 1 28 LYS QG 1 29 GLY QA . . 4.600 3.212 2.737 3.532 . 0 0 "[ . 1 . 2]" 1
1342 1 18 GLN HA 1 23 TRP HZ3 . . 4.120 3.686 3.343 4.008 . 0 0 "[ . 1 . 2]" 1
1343 1 18 GLN HA 1 85 ILE HA . . 3.430 2.538 2.348 2.703 . 0 0 "[ . 1 . 2]" 1
1344 1 18 GLN HA 1 85 ILE QG . . 4.840 2.220 1.982 2.440 . 0 0 "[ . 1 . 2]" 1
1345 1 18 GLN HA 1 85 ILE MG . . 3.970 3.477 3.184 3.683 . 0 0 "[ . 1 . 2]" 1
1346 1 17 LEU HA 1 17 LEU QD . . 3.120 2.246 1.995 2.442 . 0 0 "[ . 1 . 2]" 1
1347 1 17 LEU QD 1 51 SER QB . . 3.230 2.683 2.405 2.987 . 0 0 "[ . 1 . 2]" 1
1348 1 27 LEU HB3 1 37 LEU HA . . 4.530 4.043 3.600 4.442 . 0 0 "[ . 1 . 2]" 1
1349 1 37 LEU HA 1 37 LEU HG . . 4.140 2.868 2.764 3.010 . 0 0 "[ . 1 . 2]" 1
1350 1 28 LYS HA 1 28 LYS QG . . 3.850 3.346 3.334 3.384 . 0 0 "[ . 1 . 2]" 1
1351 1 28 LYS HA 1 72 ARG HD2 . . 4.780 3.360 2.450 4.408 . 0 0 "[ . 1 . 2]" 1
1352 1 28 LYS HA 1 72 ARG HD3 . . 4.780 3.800 2.665 4.543 . 0 0 "[ . 1 . 2]" 1
1353 1 28 LYS HA 1 37 LEU MD1 . . 4.630 3.876 3.547 4.278 . 0 0 "[ . 1 . 2]" 1
1354 1 28 LYS HA 1 40 SER HB3 . . 5.500 3.663 3.313 3.935 . 0 0 "[ . 1 . 2]" 1
1355 1 11 GLN HA 1 12 TYR H . . 2.960 2.162 2.139 2.214 . 0 0 "[ . 1 . 2]" 1
1356 1 11 GLN HA 1 12 TYR QD . . 4.290 3.488 2.685 4.196 . 0 0 "[ . 1 . 2]" 1
1357 1 55 ARG HA 1 55 ARG HG2 . . 3.950 2.826 2.150 3.999 0.049 19 0 "[ . 1 . 2]" 1
1358 1 42 ILE MG 1 55 ARG HA . . 5.240 4.039 3.715 4.411 . 0 0 "[ . 1 . 2]" 1
1359 1 59 GLU HA 1 59 GLU HG2 . . 3.980 3.003 2.194 3.289 . 0 0 "[ . 1 . 2]" 1
1360 1 59 GLU HA 1 61 VAL MG1 . . 4.630 4.500 4.295 4.624 . 0 0 "[ . 1 . 2]" 1
1361 1 55 ARG HA 1 55 ARG HD2 . . 5.060 4.303 2.955 5.051 . 0 0 "[ . 1 . 2]" 1
1362 1 55 ARG HA 1 55 ARG HG3 . . 3.950 3.146 2.638 3.628 . 0 0 "[ . 1 . 2]" 1
1363 1 55 ARG HA 1 56 THR MG . . 4.590 4.009 3.874 4.240 . 0 0 "[ . 1 . 2]" 1
1364 1 64 ASN HA 1 87 LYS HB3 . . 4.680 4.141 3.817 4.408 . 0 0 "[ . 1 . 2]" 1
1365 1 64 ASN HA 1 78 LEU QD . . 5.500 4.323 4.040 4.638 . 0 0 "[ . 1 . 2]" 1
1366 1 62 ASN HA 1 62 ASN HD22 . . 4.870 3.548 3.337 3.756 . 0 0 "[ . 1 . 2]" 1
1367 1 62 ASN HA 1 68 LEU HB2 . . 5.230 4.742 4.534 4.906 . 0 0 "[ . 1 . 2]" 1
1368 1 62 ASN HA 1 68 LEU HG . . 3.720 3.138 2.875 3.380 . 0 0 "[ . 1 . 2]" 1
1369 1 62 ASN HA 1 63 ILE MD . . 5.480 5.087 4.852 5.412 . 0 0 "[ . 1 . 2]" 1
1370 1 62 ASN HA 1 62 ASN HD21 . . 4.870 2.466 2.007 2.904 . 0 0 "[ . 1 . 2]" 1
1371 1 62 ASN HA 1 63 ILE HB . . 5.280 4.627 4.542 4.711 . 0 0 "[ . 1 . 2]" 1
1372 1 62 ASN HA 1 89 ILE HB . . 5.500 4.809 4.709 4.919 . 0 0 "[ . 1 . 2]" 1
1373 1 60 LEU MD2 1 62 ASN HA . . 4.830 3.690 3.551 3.793 . 0 0 "[ . 1 . 2]" 1
1374 1 62 ASN HA 1 68 LEU QD . . 4.530 3.525 3.166 3.736 . 0 0 "[ . 1 . 2]" 1
1375 1 59 GLU HA 1 60 LEU HA . . 5.500 4.428 4.380 4.546 . 0 0 "[ . 1 . 2]" 1
1376 1 92 ARG HA 1 92 ARG HG3 . . 4.150 3.742 3.589 3.956 . 0 0 "[ . 1 . 2]" 1
1377 1 10 PHE QD 1 92 ARG HA . . 4.710 4.030 2.745 4.710 . 14 0 "[ . 1 . 2]" 1
1378 1 92 ARG HA 1 92 ARG HG2 . . 4.150 3.781 3.599 4.217 0.067 8 0 "[ . 1 . 2]" 1
1379 1 35 GLU HA 1 36 PRO HD3 . . 3.160 2.269 2.256 2.312 . 0 0 "[ . 1 . 2]" 1
1380 1 35 GLU HA 1 36 PRO HD2 . . 3.340 2.305 2.248 2.435 . 0 0 "[ . 1 . 2]" 1
1381 1 50 LEU H 1 50 LEU MD2 . . 3.870 3.649 3.117 3.863 . 0 0 "[ . 1 . 2]" 1
1382 1 50 LEU MD2 1 51 SER H . . 5.450 4.707 4.609 4.807 . 0 0 "[ . 1 . 2]" 1
1383 1 78 LEU QD 1 81 GLY H . . 4.590 5.264 4.975 5.755 1.165 14 14 "[* * *****1 * +-*** *]" 1
1384 1 45 GLY HA2 1 50 LEU MD2 . . 4.960 3.541 2.685 4.067 . 0 0 "[ . 1 . 2]" 1
1385 1 64 ASN HB2 1 78 LEU QD . . 4.730 2.087 1.766 2.455 . 0 0 "[ . 1 . 2]" 1
1386 1 64 ASN HB3 1 78 LEU QD . . 4.730 3.289 2.971 3.613 . 0 0 "[ . 1 . 2]" 1
1387 1 76 LEU HA 1 76 LEU QD . . 2.720 2.258 1.993 2.598 . 0 0 "[ . 1 . 2]" 1
1388 1 11 GLN HB3 1 91 ARG HA . . 5.080 4.919 4.455 5.268 0.188 8 0 "[ . 1 . 2]" 1
1389 1 90 VAL HB 1 91 ARG HA . . 5.430 4.650 4.454 4.819 . 0 0 "[ . 1 . 2]" 1
1390 1 85 ILE MG 1 86 LEU HA . . 4.610 3.603 3.464 3.751 . 0 0 "[ . 1 . 2]" 1
1391 1 86 LEU HA 1 86 LEU HG . . 4.140 2.540 2.408 3.035 . 0 0 "[ . 1 . 2]" 1
1392 1 56 THR H 1 56 THR MG . . 3.040 2.320 2.051 2.571 . 0 0 "[ . 1 . 2]" 1
1393 1 41 LYS HA 1 56 THR MG . . 3.160 2.224 1.824 2.518 . 0 0 "[ . 1 . 2]" 1
1394 1 56 THR HA 1 56 THR MG . . 3.080 2.249 2.077 2.358 . 0 0 "[ . 1 . 2]" 1
1395 1 28 LYS QE 1 56 THR MG . . 5.500 4.813 4.402 5.192 . 0 0 "[ . 1 . 2]" 1
1396 1 41 LYS QE 1 56 THR MG . . 5.500 5.366 5.061 5.502 0.002 4 0 "[ . 1 . 2]" 1
1397 1 39 VAL HB 1 56 THR MG . . 4.440 3.686 3.429 3.943 . 0 0 "[ . 1 . 2]" 1
1398 1 50 LEU HA 1 50 LEU MD2 . . 4.050 2.114 1.969 2.500 . 0 0 "[ . 1 . 2]" 1
1399 1 25 PHE HB2 1 39 VAL MG1 . . 3.600 3.209 2.872 3.413 . 0 0 "[ . 1 . 2]" 1
1400 1 25 PHE HB3 1 39 VAL MG1 . . 4.350 4.627 4.310 4.833 0.483 9 0 "[ . 1 . 2]" 1
1401 1 39 VAL MG1 1 42 ILE HB . . 4.010 3.808 3.624 4.022 0.012 14 0 "[ . 1 . 2]" 1
1402 1 39 VAL MG1 1 48 ALA MB . . 4.750 4.608 4.337 4.749 . 0 0 "[ . 1 . 2]" 1
1403 1 39 VAL MG1 1 42 ILE HG13 . . 3.460 1.980 1.881 2.134 . 0 0 "[ . 1 . 2]" 1
1404 1 26 THR HA 1 27 LEU HA . . 4.930 4.503 4.465 4.533 . 0 0 "[ . 1 . 2]" 1
1405 1 27 LEU HA 1 28 LYS HA . . 5.290 4.504 4.425 4.567 . 0 0 "[ . 1 . 2]" 1
1406 1 39 VAL MG1 1 40 SER H . . 3.430 2.503 2.214 2.780 . 0 0 "[ . 1 . 2]" 1
1407 1 39 VAL H 1 39 VAL MG1 . . 3.880 3.772 3.756 3.786 . 0 0 "[ . 1 . 2]" 1
1408 1 39 VAL MG1 1 58 ASP H . . 4.280 4.185 4.023 4.282 0.002 14 0 "[ . 1 . 2]" 1
1409 1 25 PHE QD 1 39 VAL MG1 . . 3.600 3.813 3.567 4.009 0.409 2 0 "[ . 1 . 2]" 1
1410 1 27 LEU HA 1 39 VAL MG1 . . 4.720 4.076 3.870 4.246 . 0 0 "[ . 1 . 2]" 1
1411 1 39 VAL MG1 1 55 ARG HA . . 4.670 3.544 3.296 3.987 . 0 0 "[ . 1 . 2]" 1
1412 1 39 VAL MG1 1 41 LYS HA . . 4.370 3.522 3.350 3.719 . 0 0 "[ . 1 . 2]" 1
1413 1 39 VAL HA 1 39 VAL MG1 . . 3.330 2.457 2.347 2.494 . 0 0 "[ . 1 . 2]" 1
1414 1 39 VAL MG1 1 56 THR HA . . 3.320 2.036 1.898 2.183 . 0 0 "[ . 1 . 2]" 1
1415 1 39 VAL MG1 1 42 ILE MD . . 3.100 1.863 1.747 1.971 . 0 0 "[ . 1 . 2]" 1
1416 1 27 LEU HA 1 27 LEU HG . . 4.230 2.958 2.812 3.086 . 0 0 "[ . 1 . 2]" 1
1417 1 68 LEU H 1 68 LEU QD . . 4.140 3.077 2.942 3.333 . 0 0 "[ . 1 . 2]" 1
1418 1 68 LEU QD 1 74 GLU HB3 . . 4.610 3.226 2.774 3.621 . 0 0 "[ . 1 . 2]" 1
1419 1 68 LEU QD 1 78 LEU HB2 . . 4.940 3.466 3.346 3.677 . 0 0 "[ . 1 . 2]" 1
1420 1 68 LEU QD 1 78 LEU HG . . 4.190 4.888 4.672 5.107 0.917 9 18 "[********+*** -.*****]" 1
1421 1 63 ILE HB 1 68 LEU QD . . 3.280 2.739 2.406 2.929 . 0 0 "[ . 1 . 2]" 1
1422 1 66 THR MG 1 68 LEU QD . . 3.470 2.801 2.294 3.361 . 0 0 "[ . 1 . 2]" 1
1423 1 68 LEU QD 1 78 LEU QD . . 2.900 2.491 2.304 2.711 . 0 0 "[ . 1 . 2]" 1
1424 1 23 TRP HZ2 1 86 LEU HB2 . . 4.980 2.806 2.514 3.229 . 0 0 "[ . 1 . 2]" 1
1425 1 23 TRP HZ2 1 86 LEU HB3 . . 4.890 4.549 4.253 4.940 0.050 4 0 "[ . 1 . 2]" 1
1426 1 26 THR MG 1 27 LEU H . . 3.500 3.306 3.017 3.498 . 0 0 "[ . 1 . 2]" 1
1427 1 26 THR MG 1 41 LYS H . . 4.760 4.344 3.982 4.526 . 0 0 "[ . 1 . 2]" 1
1428 1 25 PHE HA 1 26 THR MG . . 4.430 3.973 3.744 4.183 . 0 0 "[ . 1 . 2]" 1
1429 1 26 THR MG 1 27 LEU HA . . 5.500 5.340 5.213 5.416 . 0 0 "[ . 1 . 2]" 1
1430 1 26 THR HA 1 26 THR MG . . 3.030 2.216 2.110 2.282 . 0 0 "[ . 1 . 2]" 1
1431 1 64 ASN H 1 88 LEU HA . . 4.390 3.373 3.204 3.679 . 0 0 "[ . 1 . 2]" 1
1432 1 88 LEU HA 1 88 LEU HG . . 3.000 3.300 3.224 3.375 0.375 18 0 "[ . 1 . 2]" 1
1433 1 60 LEU MD2 1 88 LEU HA . . 3.920 3.142 2.838 3.362 . 0 0 "[ . 1 . 2]" 1
1434 1 88 LEU HA 1 89 ILE MD . . 3.770 2.983 2.877 3.088 . 0 0 "[ . 1 . 2]" 1
1435 1 88 LEU HA 1 88 LEU MD1 . . 4.490 4.021 3.987 4.043 . 0 0 "[ . 1 . 2]" 1
1436 1 12 TYR QE 1 61 VAL MG1 . . 4.470 4.396 4.116 4.475 0.005 7 0 "[ . 1 . 2]" 1
1437 1 61 VAL MG1 1 62 ASN H . . 4.430 4.007 3.856 4.158 . 0 0 "[ . 1 . 2]" 1
1438 1 37 LEU HB2 1 38 THR MG . . 5.500 5.300 5.110 5.542 0.042 10 0 "[ . 1 . 2]" 1
1439 1 37 LEU H 1 38 THR MG . . 4.760 4.270 4.062 4.574 . 0 0 "[ . 1 . 2]" 1
1440 1 38 THR H 1 38 THR MG . . 3.390 3.107 2.924 3.250 . 0 0 "[ . 1 . 2]" 1
1441 1 38 THR MG 1 60 LEU H . . 4.040 3.585 3.376 3.928 . 0 0 "[ . 1 . 2]" 1
1442 1 38 THR HA 1 38 THR MG . . 3.150 2.284 2.130 2.388 . 0 0 "[ . 1 . 2]" 1
1443 1 38 THR MG 1 59 GLU HA . . 3.240 1.977 1.812 2.259 . 0 0 "[ . 1 . 2]" 1
1444 1 38 THR MG 1 58 ASP HA . . 3.980 3.753 3.485 3.946 . 0 0 "[ . 1 . 2]" 1
1445 1 36 PRO HA 1 38 THR MG . . 4.410 4.251 4.075 4.406 . 0 0 "[ . 1 . 2]" 1
1446 1 38 THR MG 1 59 GLU HG3 . . 3.960 2.111 1.933 2.981 . 0 0 "[ . 1 . 2]" 1
1447 1 36 PRO HB3 1 38 THR MG . . 4.060 3.943 3.768 4.049 . 0 0 "[ . 1 . 2]" 1
1448 1 36 PRO HG2 1 38 THR MG . . 4.140 3.256 2.763 3.695 . 0 0 "[ . 1 . 2]" 1
1449 1 38 THR MG 1 59 GLU HG2 . . 3.960 3.407 2.300 3.628 . 0 0 "[ . 1 . 2]" 1
1450 1 38 THR MG 1 59 GLU HB2 . . 3.790 2.379 1.984 2.778 . 0 0 "[ . 1 . 2]" 1
1451 1 36 PRO HB2 1 38 THR MG . . 3.200 2.474 2.297 2.578 . 0 0 "[ . 1 . 2]" 1
1452 1 61 VAL MG1 1 91 ARG H . . 4.540 4.233 3.901 4.537 . 0 0 "[ . 1 . 2]" 1
1453 1 61 VAL H 1 61 VAL MG1 . . 3.780 2.709 2.582 2.948 . 0 0 "[ . 1 . 2]" 1
1454 1 61 VAL MG1 1 90 VAL HA . . 4.640 4.364 4.029 4.641 0.001 15 0 "[ . 1 . 2]" 1
1455 1 61 VAL HA 1 61 VAL MG1 . . 3.220 2.425 2.345 2.462 . 0 0 "[ . 1 . 2]" 1
1456 1 60 LEU HA 1 61 VAL MG1 . . 3.860 3.689 3.529 3.838 . 0 0 "[ . 1 . 2]" 1
1457 1 15 VAL MG2 1 53 LYS HB3 . . 3.270 2.188 1.912 2.457 . 0 0 "[ . 1 . 2]" 1
1458 1 66 THR HA 1 66 THR MG . . 3.120 2.435 2.362 2.488 . 0 0 "[ . 1 . 2]" 1
1459 1 66 THR MG 1 67 PRO HA . . 4.440 4.164 4.064 4.290 . 0 0 "[ . 1 . 2]" 1
1460 1 66 THR MG 1 67 PRO HD2 . . 3.660 2.503 2.187 2.652 . 0 0 "[ . 1 . 2]" 1
1461 1 66 THR MG 1 67 PRO HD3 . . 3.660 3.740 3.472 3.865 0.205 6 0 "[ . 1 . 2]" 1
1462 1 39 VAL MG2 1 57 GLY H . . 3.730 3.452 3.299 3.605 . 0 0 "[ . 1 . 2]" 1
1463 1 39 VAL H 1 39 VAL MG2 . . 3.080 1.974 1.873 2.191 . 0 0 "[ . 1 . 2]" 1
1464 1 39 VAL MG2 1 56 THR H . . 5.000 4.633 4.376 4.707 . 0 0 "[ . 1 . 2]" 1
1465 1 25 PHE QD 1 39 VAL MG2 . . 3.550 3.589 3.343 3.732 0.182 18 0 "[ . 1 . 2]" 1
1466 1 38 THR HA 1 39 VAL MG2 . . 3.920 3.734 3.619 3.861 . 0 0 "[ . 1 . 2]" 1
1467 1 27 LEU HA 1 39 VAL MG2 . . 4.860 4.363 4.059 4.542 . 0 0 "[ . 1 . 2]" 1
1468 1 39 VAL MG2 1 59 GLU HA . . 4.680 4.511 4.243 4.675 . 0 0 "[ . 1 . 2]" 1
1469 1 39 VAL HA 1 39 VAL MG2 . . 3.260 2.372 2.274 2.448 . 0 0 "[ . 1 . 2]" 1
1470 1 39 VAL MG2 1 56 THR HA . . 3.840 3.563 3.377 3.773 . 0 0 "[ . 1 . 2]" 1
1471 1 39 VAL MG2 1 58 ASP HB2 . . 4.250 2.808 2.071 4.208 . 0 0 "[ . 1 . 2]" 1
1472 1 14 PRO HA 1 15 VAL MG2 . . 4.100 3.937 3.792 4.045 . 0 0 "[ . 1 . 2]" 1
1473 1 15 VAL MG2 1 54 MET HA . . 4.190 3.674 3.510 3.811 . 0 0 "[ . 1 . 2]" 1
1474 1 15 VAL HA 1 15 VAL MG2 . . 3.320 2.422 2.306 2.488 . 0 0 "[ . 1 . 2]" 1
1475 1 15 VAL MG2 1 53 LYS QE . . 4.450 3.651 3.154 4.477 0.027 13 0 "[ . 1 . 2]" 1
1476 1 15 VAL MG2 1 90 VAL H . . 4.310 3.563 3.208 3.814 . 0 0 "[ . 1 . 2]" 1
1477 1 15 VAL MG2 1 51 SER QB . . 4.370 4.151 3.645 4.568 0.198 14 0 "[ . 1 . 2]" 1
1478 1 59 GLU HB3 1 61 VAL MG1 . . 3.510 3.537 3.215 3.733 0.223 4 0 "[ . 1 . 2]" 1
1479 1 59 GLU HA 1 90 VAL MG1 . . 4.740 4.507 4.176 4.746 0.006 15 0 "[ . 1 . 2]" 1
1480 1 15 VAL HB 1 90 VAL MG1 . . 4.570 4.225 3.952 4.566 . 0 0 "[ . 1 . 2]" 1
1481 1 60 LEU HG 1 90 VAL MG1 . . 4.040 2.103 1.946 2.358 . 0 0 "[ . 1 . 2]" 1
1482 1 90 VAL MG1 1 91 ARG H . . 3.990 3.854 3.658 3.994 0.004 6 0 "[ . 1 . 2]" 1
1483 1 61 VAL H 1 90 VAL MG1 . . 4.440 3.814 3.641 4.164 . 0 0 "[ . 1 . 2]" 1
1484 1 58 ASP H 1 90 VAL MG1 . . 5.220 5.059 4.843 5.306 0.086 9 0 "[ . 1 . 2]" 1
1485 1 62 ASN H 1 90 VAL MG1 . . 5.120 4.563 4.336 4.818 . 0 0 "[ . 1 . 2]" 1
1486 1 25 PHE QE 1 90 VAL MG1 . . 5.500 5.955 5.783 6.154 0.654 7 7 "[* * + **- . * 2]" 1
1487 1 90 VAL HA 1 90 VAL MG1 . . 3.160 2.319 2.197 2.459 . 0 0 "[ . 1 . 2]" 1
1488 1 60 LEU HA 1 90 VAL MG1 . . 3.260 2.145 1.974 2.455 . 0 0 "[ . 1 . 2]" 1
1489 1 54 MET HA 1 90 VAL MG1 . . 4.950 4.610 4.255 4.882 . 0 0 "[ . 1 . 2]" 1
1490 1 58 ASP HB2 1 90 VAL MG1 . . 3.980 3.124 2.841 3.388 . 0 0 "[ . 1 . 2]" 1
1491 1 58 ASP HB3 1 90 VAL MG1 . . 3.980 2.864 2.051 3.983 0.003 16 0 "[ . 1 . 2]" 1
1492 1 54 MET HB3 1 90 VAL MG1 . . 3.840 3.092 2.747 3.391 . 0 0 "[ . 1 . 2]" 1
1493 1 88 LEU HB2 1 90 VAL MG1 . . 3.850 3.347 3.093 3.541 . 0 0 "[ . 1 . 2]" 1
1494 1 88 LEU MD1 1 90 VAL MG1 . . 3.920 3.762 3.582 3.878 . 0 0 "[ . 1 . 2]" 1
1495 1 15 VAL MG1 1 88 LEU H . . 4.810 4.338 4.114 4.520 . 0 0 "[ . 1 . 2]" 1
1496 1 15 VAL MG1 1 51 SER QB . . 3.690 2.664 2.330 3.053 . 0 0 "[ . 1 . 2]" 1
1497 1 15 VAL MG1 1 17 LEU HG . . 3.230 2.826 2.403 3.145 . 0 0 "[ . 1 . 2]" 1
1498 1 15 VAL MG1 1 53 LYS HB2 . . 3.490 2.150 1.832 2.335 . 0 0 "[ . 1 . 2]" 1
1499 1 15 VAL MG1 1 17 LEU H . . 4.470 3.904 3.588 4.203 . 0 0 "[ . 1 . 2]" 1
1500 1 15 VAL H 1 15 VAL MG1 . . 3.980 3.771 3.760 3.801 . 0 0 "[ . 1 . 2]" 1
1501 1 15 VAL MG1 1 16 GLN H . . 3.880 3.179 2.764 3.395 . 0 0 "[ . 1 . 2]" 1
1502 1 15 VAL MG1 1 16 GLN HA . . 4.330 4.144 3.949 4.253 . 0 0 "[ . 1 . 2]" 1
1503 1 15 VAL MG1 1 17 LEU HA . . 4.430 4.027 3.873 4.221 . 0 0 "[ . 1 . 2]" 1
1504 1 15 VAL MG1 1 53 LYS HA . . 4.900 4.757 4.326 4.902 0.002 9 0 "[ . 1 . 2]" 1
1505 1 15 VAL MG1 1 53 LYS QE . . 4.870 4.373 3.686 4.809 . 0 0 "[ . 1 . 2]" 1
1506 1 15 VAL MG1 1 17 LEU QD . . 3.480 2.075 1.711 2.443 . 0 0 "[ . 1 . 2]" 1
1507 1 15 VAL MG1 1 88 LEU MD1 . . 3.660 2.937 2.601 3.174 . 0 0 "[ . 1 . 2]" 1
1508 1 15 VAL H 1 90 VAL MG1 . . 5.290 4.284 3.898 4.629 . 0 0 "[ . 1 . 2]" 1
1509 1 55 ARG H 1 90 VAL MG1 . . 5.500 4.893 4.479 5.142 . 0 0 "[ . 1 . 2]" 1
1510 1 15 VAL MG1 1 54 MET HA . . 5.370 5.022 4.896 5.066 . 0 0 "[ . 1 . 2]" 1
1511 1 15 VAL MG1 1 54 MET HG2 . . 3.850 2.078 1.971 2.204 . 0 0 "[ . 1 . 2]" 1
1512 1 15 VAL MG1 1 16 GLN QB . . 4.930 4.577 4.357 4.708 . 0 0 "[ . 1 . 2]" 1
1513 1 15 VAL MG1 1 53 LYS HB3 . . 3.850 3.361 2.743 3.647 . 0 0 "[ . 1 . 2]" 1
1514 1 15 VAL MG1 1 88 LEU HB2 . . 4.690 4.012 3.726 4.174 . 0 0 "[ . 1 . 2]" 1
1515 1 13 VAL MG1 1 90 VAL H . . 5.120 3.997 3.192 5.017 . 0 0 "[ . 1 . 2]" 1
1516 1 13 VAL MG1 1 14 PRO HD2 . . 4.660 3.654 3.114 4.585 . 0 0 "[ . 1 . 2]" 1
1517 1 13 VAL MG1 1 14 PRO HD3 . . 5.080 4.422 4.196 4.830 . 0 0 "[ . 1 . 2]" 1
1518 1 13 VAL H 1 13 VAL MG1 . . 3.930 3.045 1.849 3.732 . 0 0 "[ . 1 . 2]" 1
1519 1 13 VAL HA 1 13 VAL MG1 . . 3.190 2.660 2.416 3.161 . 0 0 "[ . 1 . 2]" 1
1520 1 66 THR HA 1 67 PRO HD3 . . 3.230 2.363 2.288 2.439 . 0 0 "[ . 1 . 2]" 1
1521 1 13 VAL MG2 1 14 PRO HD2 . . 4.660 3.598 2.861 4.347 . 0 0 "[ . 1 . 2]" 1
1522 1 14 PRO HD3 1 89 ILE MG . . 4.700 4.049 3.889 4.314 . 0 0 "[ . 1 . 2]" 1
1523 1 14 PRO HD3 1 89 ILE MD . . 5.500 4.983 4.676 5.128 . 0 0 "[ . 1 . 2]" 1
1524 1 35 GLU HB3 1 36 PRO HD2 . . 3.620 2.404 2.126 2.539 . 0 0 "[ . 1 . 2]" 1
1525 1 35 GLU HB2 1 36 PRO HD2 . . 4.170 3.888 3.690 3.970 . 0 0 "[ . 1 . 2]" 1
1526 1 13 VAL H 1 13 VAL MG2 . . 3.930 2.912 2.113 3.668 . 0 0 "[ . 1 . 2]" 1
1527 1 13 VAL MG2 1 90 VAL H . . 5.120 4.481 2.948 5.129 0.009 7 0 "[ . 1 . 2]" 1
1528 1 13 VAL HA 1 13 VAL MG2 . . 3.190 2.539 2.256 3.193 0.003 8 0 "[ . 1 . 2]" 1
1529 1 13 VAL MG2 1 14 PRO HD3 . . 5.080 4.379 4.028 4.717 . 0 0 "[ . 1 . 2]" 1
1530 1 21 ALA HA 1 23 TRP H . . 4.580 2.934 2.426 3.606 . 0 0 "[ . 1 . 2]" 1
1531 1 21 ALA HA 1 23 TRP HD1 . . 4.460 4.060 3.675 4.381 . 0 0 "[ . 1 . 2]" 1
1532 1 74 GLU H 1 75 ALA MB . . 4.680 4.605 4.555 4.668 . 0 0 "[ . 1 . 2]" 1
1533 1 75 ALA H 1 75 ALA MB . . 3.190 2.070 2.025 2.199 . 0 0 "[ . 1 . 2]" 1
1534 1 72 ARG HA 1 75 ALA MB . . 3.300 2.773 2.574 3.078 . 0 0 "[ . 1 . 2]" 1
1535 1 74 GLU HB3 1 75 ALA MB . . 4.360 3.916 3.840 3.995 . 0 0 "[ . 1 . 2]" 1
1536 1 75 ALA MB 1 76 LEU HG . . 3.930 3.037 2.830 3.210 . 0 0 "[ . 1 . 2]" 1
1537 1 63 ILE MD 1 75 ALA MB . . 3.050 2.091 1.877 2.332 . 0 0 "[ . 1 . 2]" 1
1538 1 37 LEU MD2 1 75 ALA MB . . 2.690 2.277 2.099 2.497 . 0 0 "[ . 1 . 2]" 1
1539 1 68 LEU QD 1 75 ALA MB . . 3.330 1.876 1.763 1.942 . 0 0 "[ . 1 . 2]" 1
1540 1 48 ALA MB 1 49 ALA H . . 3.470 2.477 2.259 2.697 . 0 0 "[ . 1 . 2]" 1
1541 1 48 ALA MB 1 50 LEU H . . 4.950 4.607 4.458 4.720 . 0 0 "[ . 1 . 2]" 1
1542 1 43 GLU H 1 48 ALA MB . . 4.650 4.432 4.185 4.650 0.000 15 0 "[ . 1 . 2]" 1
1543 1 46 GLY H 1 48 ALA MB . . 5.500 5.157 4.813 5.411 . 0 0 "[ . 1 . 2]" 1
1544 1 48 ALA MB 1 51 SER H . . 5.500 4.790 4.616 4.943 . 0 0 "[ . 1 . 2]" 1
1545 1 25 PHE QD 1 48 ALA MB . . 3.030 2.511 2.208 2.864 . 0 0 "[ . 1 . 2]" 1
1546 1 25 PHE HA 1 48 ALA MB . . 4.350 3.584 3.346 3.660 . 0 0 "[ . 1 . 2]" 1
1547 1 42 ILE HA 1 48 ALA MB . . 4.100 3.931 3.717 4.060 . 0 0 "[ . 1 . 2]" 1
1548 1 48 ALA MB 1 49 ALA HA . . 4.020 3.809 3.757 3.860 . 0 0 "[ . 1 . 2]" 1
1549 1 25 PHE HB2 1 48 ALA MB . . 3.810 3.014 2.887 3.137 . 0 0 "[ . 1 . 2]" 1
1550 1 25 PHE HB3 1 48 ALA MB . . 3.450 1.921 1.842 2.059 . 0 0 "[ . 1 . 2]" 1
1551 1 48 ALA MB 1 54 MET ME . . 3.190 2.447 1.967 2.938 . 0 0 "[ . 1 . 2]" 1
1552 1 42 ILE MG 1 48 ALA MB . . 2.910 1.952 1.804 2.202 . 0 0 "[ . 1 . 2]" 1
1553 1 42 ILE MD 1 48 ALA MB . . 3.530 2.983 2.739 3.224 . 0 0 "[ . 1 . 2]" 1
1554 1 96 GLY QA 1 97 PRO HD2 . . 2.860 2.192 1.920 2.716 . 0 0 "[ . 1 . 2]" 1
1555 1 96 GLY QA 1 97 PRO HD3 . . 2.860 2.443 2.237 2.819 . 0 0 "[ . 1 . 2]" 1
1556 1 42 ILE MD 1 49 ALA MB . . 4.580 4.360 4.107 4.617 0.037 10 0 "[ . 1 . 2]" 1
1557 1 45 GLY H 1 49 ALA MB . . 4.010 2.293 1.792 3.782 . 0 0 "[ . 1 . 2]" 1
1558 1 49 ALA MB 1 50 LEU HA . . 3.960 3.692 3.611 3.806 . 0 0 "[ . 1 . 2]" 1
1559 1 42 ILE MG 1 49 ALA MB . . 2.860 2.408 2.191 2.595 . 0 0 "[ . 1 . 2]" 1
1560 1 45 GLY HA2 1 49 ALA MB . . 4.510 3.402 2.998 3.716 . 0 0 "[ . 1 . 2]" 1
1561 1 61 VAL MG2 1 91 ARG H . . 4.500 4.256 3.752 4.500 0.000 3 0 "[ . 1 . 2]" 1
1562 1 61 VAL MG2 1 90 VAL H . . 5.500 5.432 5.199 5.509 0.009 15 0 "[ . 1 . 2]" 1
1563 1 61 VAL H 1 61 VAL MG2 . . 3.220 2.152 2.003 2.277 . 0 0 "[ . 1 . 2]" 1
1564 1 12 TYR QD 1 61 VAL MG2 . . 4.030 3.881 3.633 4.035 0.005 17 0 "[ . 1 . 2]" 1
1565 1 12 TYR QE 1 61 VAL MG2 . . 3.390 3.172 2.796 3.310 . 0 0 "[ . 1 . 2]" 1
1566 1 61 VAL MG2 1 90 VAL HA . . 4.070 3.908 3.600 4.065 . 0 0 "[ . 1 . 2]" 1
1567 1 61 VAL MG2 1 62 ASN HA . . 4.620 3.758 3.465 4.034 . 0 0 "[ . 1 . 2]" 1
1568 1 61 VAL MG2 1 62 ASN HB2 . . 4.120 2.638 2.390 2.752 . 0 0 "[ . 1 . 2]" 1
1569 1 59 GLU HB3 1 61 VAL MG2 . . 4.920 4.863 4.339 5.189 0.269 17 0 "[ . 1 . 2]" 1
1570 1 61 VAL MG2 1 89 ILE HB . . 3.950 3.647 3.542 3.757 . 0 0 "[ . 1 . 2]" 1
1571 1 61 VAL HA 1 61 VAL MG2 . . 3.680 3.187 3.182 3.200 . 0 0 "[ . 1 . 2]" 1
1572 1 60 LEU HA 1 61 VAL MG2 . . 4.020 3.894 3.734 4.004 . 0 0 "[ . 1 . 2]" 1
1573 1 61 VAL MG2 1 89 ILE MG . . 2.910 3.069 2.953 3.115 0.205 15 0 "[ . 1 . 2]" 1
1574 1 63 ILE MG 1 64 ASN H . . 3.590 2.632 2.300 2.924 . 0 0 "[ . 1 . 2]" 1
1575 1 63 ILE MG 1 79 ILE H . . 4.010 3.414 3.141 3.848 . 0 0 "[ . 1 . 2]" 1
1576 1 63 ILE H 1 63 ILE MG . . 4.100 3.856 3.803 3.890 . 0 0 "[ . 1 . 2]" 1
1577 1 63 ILE MG 1 64 ASN HD21 . . 4.210 3.192 2.092 4.211 0.001 12 0 "[ . 1 . 2]" 1
1578 1 63 ILE MG 1 88 LEU HA . . 4.910 4.509 4.202 4.676 . 0 0 "[ . 1 . 2]" 1
1579 1 63 ILE HA 1 63 ILE MG . . 3.380 2.447 2.367 2.518 . 0 0 "[ . 1 . 2]" 1
1580 1 63 ILE MG 1 86 LEU HA . . 5.410 5.340 4.941 5.507 0.097 2 0 "[ . 1 . 2]" 1
1581 1 63 ILE MG 1 64 ASN HA . . 4.180 3.866 3.660 4.055 . 0 0 "[ . 1 . 2]" 1
1582 1 63 ILE MG 1 64 ASN HB2 . . 4.280 2.609 2.422 2.848 . 0 0 "[ . 1 . 2]" 1
1583 1 63 ILE MG 1 64 ASN HB3 . . 4.280 4.063 3.938 4.232 . 0 0 "[ . 1 . 2]" 1
1584 1 63 ILE MG 1 79 ILE HG12 . . 3.420 2.826 2.418 3.246 . 0 0 "[ . 1 . 2]" 1
1585 1 63 ILE MG 1 78 LEU HB3 . . 3.370 2.090 1.993 2.203 . 0 0 "[ . 1 . 2]" 1
1586 1 63 ILE MD 1 63 ILE MG . . 2.780 2.097 1.889 2.342 . 0 0 "[ . 1 . 2]" 1
1587 1 63 ILE MG 1 86 LEU QD . . 2.860 2.868 2.525 3.059 0.199 5 0 "[ . 1 . 2]" 1
1588 1 63 ILE MG 1 64 ASN HD22 . . 4.210 3.711 3.355 3.998 . 0 0 "[ . 1 . 2]" 1
1589 1 63 ILE MG 1 75 ALA HA . . 4.670 4.015 3.722 4.420 . 0 0 "[ . 1 . 2]" 1
1590 1 63 ILE MG 1 78 LEU HG . . 4.240 3.724 3.629 3.812 . 0 0 "[ . 1 . 2]" 1
1591 1 63 ILE MG 1 88 LEU MD1 . . 4.350 3.868 3.669 4.093 . 0 0 "[ . 1 . 2]" 1
1592 1 89 ILE H 1 89 ILE MG . . 4.060 3.726 3.701 3.740 . 0 0 "[ . 1 . 2]" 1
1593 1 62 ASN H 1 89 ILE MG . . 5.500 4.287 3.983 4.847 . 0 0 "[ . 1 . 2]" 1
1594 1 12 TYR QD 1 89 ILE MG . . 3.230 1.906 1.839 1.994 . 0 0 "[ . 1 . 2]" 1
1595 1 14 PRO HA 1 89 ILE MG . . 3.780 3.865 3.684 4.025 0.245 17 0 "[ . 1 . 2]" 1
1596 1 89 ILE HA 1 89 ILE MG . . 3.150 2.482 2.453 2.516 . 0 0 "[ . 1 . 2]" 1
1597 1 25 PHE HB3 1 42 ILE MG . . 3.730 3.041 2.722 3.511 . 0 0 "[ . 1 . 2]" 1
1598 1 12 TYR HB3 1 89 ILE MG . . 3.390 2.056 1.793 2.296 . 0 0 "[ . 1 . 2]" 1
1599 1 15 VAL H 1 90 VAL MG2 . . 4.560 3.993 3.707 4.334 . 0 0 "[ . 1 . 2]" 1
1600 1 55 ARG H 1 90 VAL MG2 . . 4.830 4.418 4.079 4.769 . 0 0 "[ . 1 . 2]" 1
1601 1 90 VAL HA 1 90 VAL MG2 . . 3.590 3.189 3.180 3.202 . 0 0 "[ . 1 . 2]" 1
1602 1 13 VAL HA 1 90 VAL MG2 . . 5.290 4.533 4.051 4.996 . 0 0 "[ . 1 . 2]" 1
1603 1 60 LEU HA 1 90 VAL MG2 . . 5.500 4.671 4.488 4.915 . 0 0 "[ . 1 . 2]" 1
1604 1 88 LEU MD1 1 90 VAL MG2 . . 5.340 5.105 4.881 5.316 . 0 0 "[ . 1 . 2]" 1
1605 1 63 ILE MG 1 78 LEU QD . . 2.980 1.836 1.679 1.907 . 0 0 "[ . 1 . 2]" 1
1606 1 42 ILE MG 1 48 ALA H . . 4.670 4.170 3.929 4.435 . 0 0 "[ . 1 . 2]" 1
1607 1 42 ILE MG 1 43 GLU H . . 3.660 2.954 2.597 3.229 . 0 0 "[ . 1 . 2]" 1
1608 1 42 ILE HA 1 42 ILE MG . . 3.260 2.436 2.341 2.485 . 0 0 "[ . 1 . 2]" 1
1609 1 42 ILE MG 1 43 GLU HA . . 4.510 4.268 4.137 4.458 . 0 0 "[ . 1 . 2]" 1
1610 1 42 ILE MG 1 48 ALA HA . . 4.890 4.160 4.012 4.411 . 0 0 "[ . 1 . 2]" 1
1611 1 42 ILE MG 1 49 ALA HA . . 3.150 2.794 2.545 3.014 . 0 0 "[ . 1 . 2]" 1
1612 1 17 LEU H 1 85 ILE MG . . 4.390 3.404 3.002 3.935 . 0 0 "[ . 1 . 2]" 1
1613 1 85 ILE H 1 85 ILE MG . . 4.170 3.810 3.724 3.876 . 0 0 "[ . 1 . 2]" 1
1614 1 23 TRP HH2 1 85 ILE MG . . 4.810 4.454 4.200 4.794 . 0 0 "[ . 1 . 2]" 1
1615 1 16 GLN HA 1 85 ILE MG . . 4.290 3.759 3.446 4.098 . 0 0 "[ . 1 . 2]" 1
1616 1 85 ILE HA 1 85 ILE MG . . 3.100 2.433 2.368 2.543 . 0 0 "[ . 1 . 2]" 1
1617 1 16 GLN HG3 1 85 ILE MG . . 3.650 2.913 2.406 3.114 . 0 0 "[ . 1 . 2]" 1
1618 1 25 PHE HB2 1 42 ILE MG . . 4.590 3.453 3.121 3.754 . 0 0 "[ . 1 . 2]" 1
1619 1 79 ILE MG 1 80 LYS H . . 3.730 3.493 3.335 3.693 . 0 0 "[ . 1 . 2]" 1
1620 1 79 ILE MG 1 81 GLY H . . 5.500 4.615 4.354 4.867 . 0 0 "[ . 1 . 2]" 1
1621 1 79 ILE MG 1 82 SER H . . 5.500 3.767 3.607 4.034 . 0 0 "[ . 1 . 2]" 1
1622 1 23 TRP HD1 1 79 ILE MG . . 3.160 2.326 1.946 2.667 . 0 0 "[ . 1 . 2]" 1
1623 1 25 PHE QE 1 79 ILE MG . . 4.040 2.849 2.646 3.048 . 0 0 "[ . 1 . 2]" 1
1624 1 79 ILE MG 1 80 LYS HA . . 3.630 3.729 3.595 3.865 0.235 9 0 "[ . 1 . 2]" 1
1625 1 76 LEU HA 1 79 ILE MG . . 4.810 4.510 4.429 4.571 . 0 0 "[ . 1 . 2]" 1
1626 1 79 ILE HA 1 79 ILE MG . . 3.210 2.327 2.207 2.403 . 0 0 "[ . 1 . 2]" 1
1627 1 74 GLU H 1 77 ILE MG . . 5.500 5.486 5.380 5.544 0.044 14 0 "[ . 1 . 2]" 1
1628 1 77 ILE MG 1 78 LEU H . . 3.630 3.354 3.140 3.490 . 0 0 "[ . 1 . 2]" 1
1629 1 77 ILE MG 1 78 LEU HA . . 3.840 3.321 3.103 3.435 . 0 0 "[ . 1 . 2]" 1
1630 1 74 GLU HA 1 77 ILE MG . . 3.930 3.715 3.486 3.928 . 0 0 "[ . 1 . 2]" 1
1631 1 77 ILE HA 1 77 ILE MG . . 3.090 2.454 2.304 2.522 . 0 0 "[ . 1 . 2]" 1
1632 1 79 ILE HG12 1 79 ILE MG . . 3.130 2.072 2.016 2.173 . 0 0 "[ . 1 . 2]" 1
1633 1 21 ALA MB 1 23 TRP H . . 4.240 2.883 2.191 3.888 . 0 0 "[ . 1 . 2]" 1
1634 1 21 ALA MB 1 23 TRP HZ2 . . 4.270 3.874 3.481 4.179 . 0 0 "[ . 1 . 2]" 1
1635 1 20 GLY HA2 1 21 ALA MB . . 4.370 4.030 3.988 4.096 . 0 0 "[ . 1 . 2]" 1
1636 1 21 ALA MB 1 23 TRP HE1 . . 3.380 2.759 2.333 3.177 . 0 0 "[ . 1 . 2]" 1
1637 1 21 ALA MB 1 23 TRP HD1 . . 3.630 2.980 2.713 3.282 . 0 0 "[ . 1 . 2]" 1
1638 1 20 GLY H 1 21 ALA MB . . 5.500 5.465 5.404 5.499 . 0 0 "[ . 1 . 2]" 1
1639 1 21 ALA MB 1 23 TRP HH2 . . 5.500 5.263 4.901 5.469 . 0 0 "[ . 1 . 2]" 1
1640 1 21 ALA MB 1 22 PRO HA . . 2.980 1.976 1.886 2.136 . 0 0 "[ . 1 . 2]" 1
1641 1 20 GLY HA3 1 21 ALA MB . . 4.530 4.467 4.422 4.527 . 0 0 "[ . 1 . 2]" 1
1642 1 21 ALA MB 1 22 PRO HD2 . . 5.070 4.357 4.314 4.447 . 0 0 "[ . 1 . 2]" 1
1643 1 21 ALA MB 1 22 PRO HD3 . . 5.070 3.744 3.688 3.902 . 0 0 "[ . 1 . 2]" 1
1644 1 21 ALA MB 1 22 PRO HB2 . . 4.750 4.272 4.162 4.400 . 0 0 "[ . 1 . 2]" 1
1645 1 37 LEU MD2 1 70 GLY HA2 . . 4.460 3.504 2.931 3.762 . 0 0 "[ . 1 . 2]" 1
1646 1 37 LEU HB3 1 70 GLY HA2 . . 5.070 4.320 3.653 4.776 . 0 0 "[ . 1 . 2]" 1
1647 1 31 LEU QB 1 70 GLY HA2 . . 5.230 3.741 3.106 4.317 . 0 0 "[ . 1 . 2]" 1
1648 1 37 LEU HB2 1 70 GLY HA2 . . 4.780 3.685 3.152 4.108 . 0 0 "[ . 1 . 2]" 1
1649 1 17 LEU QD 1 86 LEU HB2 . . 4.750 2.387 2.179 2.577 . 0 0 "[ . 1 . 2]" 1
1650 1 17 LEU QD 1 23 TRP HB3 . . 4.220 2.231 2.059 2.389 . 0 0 "[ . 1 . 2]" 1
1651 1 17 LEU QD 1 47 LYS HA . . 4.770 3.936 3.585 4.346 . 0 0 "[ . 1 . 2]" 1
1652 1 67 PRO HG2 1 69 TYR QE . . 4.490 3.885 3.166 4.340 . 0 0 "[ . 1 . 2]" 1
1653 1 67 PRO HG3 1 69 TYR QE . . 5.160 5.176 4.576 5.585 0.425 15 0 "[ . 1 . 2]" 1
1654 1 9 SER QB 1 10 PHE H . . 4.220 2.876 2.110 3.790 . 0 0 "[ . 1 . 2]" 1
1655 1 9 SER QB 1 10 PHE QD . . 4.760 4.463 4.029 4.759 . 0 0 "[ . 1 . 2]" 1
1656 1 9 SER QB 1 94 ASN QB . . 3.950 3.828 2.627 4.535 0.585 11 4 "[- . *+ * 2]" 1
1657 1 10 PHE H 1 10 PHE QB . . 3.570 2.503 2.221 2.804 . 0 0 "[ . 1 . 2]" 1
1658 1 10 PHE QB 1 91 ARG QD . . 4.600 3.905 3.033 4.600 . 4 0 "[ . 1 . 2]" 1
1659 1 10 PHE QB 1 93 ARG HA . . 4.600 3.983 3.460 4.216 . 0 0 "[ . 1 . 2]" 1
1660 1 10 PHE QD 1 91 ARG QG . . 3.970 3.326 2.456 4.112 0.142 20 0 "[ . 1 . 2]" 1
1661 1 10 PHE QD 1 91 ARG QD . . 4.880 3.842 2.714 4.815 . 0 0 "[ . 1 . 2]" 1
1662 1 10 PHE QD 1 93 ARG QG . . 4.580 3.740 2.607 4.577 . 0 0 "[ . 1 . 2]" 1
1663 1 10 PHE QE 1 93 ARG QB . . 5.340 3.483 1.984 4.657 . 0 0 "[ . 1 . 2]" 1
1664 1 10 PHE QE 1 93 ARG QG . . 4.170 2.894 1.888 4.052 . 0 0 "[ . 1 . 2]" 1
1665 1 10 PHE QE 1 93 ARG QD . . 5.130 3.531 2.474 4.497 . 0 0 "[ . 1 . 2]" 1
1666 1 10 PHE HZ 1 93 ARG QB . . 5.340 4.363 3.111 5.321 . 0 0 "[ . 1 . 2]" 1
1667 1 10 PHE HZ 1 93 ARG QG . . 5.280 3.713 2.264 5.256 . 0 0 "[ . 1 . 2]" 1
1668 1 10 PHE HZ 1 93 ARG QD . . 5.340 3.945 2.926 5.077 . 0 0 "[ . 1 . 2]" 1
1669 1 11 GLN H 1 11 GLN QG . . 4.110 4.011 3.891 4.091 . 0 0 "[ . 1 . 2]" 1
1670 1 11 GLN HA 1 11 GLN QG . . 3.450 2.484 2.375 2.820 . 0 0 "[ . 1 . 2]" 1
1671 1 11 GLN HA 1 13 VAL QG . . 5.210 5.008 4.822 5.207 . 0 0 "[ . 1 . 2]" 1
1672 1 11 GLN HB2 1 13 VAL QG . . 5.290 4.895 4.778 4.982 . 0 0 "[ . 1 . 2]" 1
1673 1 11 GLN HB2 1 92 ARG QG . . 4.540 3.955 3.419 4.425 . 0 0 "[ . 1 . 2]" 1
1674 1 11 GLN HB3 1 13 VAL QG . . 4.350 3.929 3.712 4.246 . 0 0 "[ . 1 . 2]" 1
1675 1 11 GLN HB3 1 92 ARG QG . . 3.820 2.444 2.032 2.950 . 0 0 "[ . 1 . 2]" 1
1676 1 11 GLN QG 1 13 VAL QG . . 3.170 2.498 2.138 3.016 . 0 0 "[ . 1 . 2]" 1
1677 1 11 GLN QG 1 92 ARG H . . 5.340 4.492 3.898 4.814 . 0 0 "[ . 1 . 2]" 1
1678 1 11 GLN QE 1 13 VAL QG . . 3.580 2.708 1.782 3.570 . 0 0 "[ . 1 . 2]" 1
1679 1 11 GLN QE 1 92 ARG QD . . 3.930 3.756 2.094 5.836 1.906 13 6 "[ .- 1 *+ .* **2]" 1
1680 1 12 TYR H 1 13 VAL QG . . 4.770 4.396 3.818 4.664 . 0 0 "[ . 1 . 2]" 1
1681 1 12 TYR HA 1 13 VAL QG . . 3.900 3.670 3.173 3.937 0.037 19 0 "[ . 1 . 2]" 1
1682 1 12 TYR QE 1 91 ARG QD . . 3.750 2.791 2.214 3.414 . 0 0 "[ . 1 . 2]" 1
1683 1 13 VAL H 1 13 VAL QG . . 3.190 2.401 1.844 2.849 . 0 0 "[ . 1 . 2]" 1
1684 1 13 VAL QG 1 14 PRO HG2 . . 4.200 4.278 3.901 5.005 0.805 8 4 "[ . +-1* . *]" 1
1685 1 13 VAL QG 1 14 PRO HD2 . . 3.490 3.092 2.832 3.579 0.089 8 0 "[ . 1 . 2]" 1
1686 1 13 VAL QG 1 14 PRO HD3 . . 4.070 3.895 3.808 4.064 . 0 0 "[ . 1 . 2]" 1
1687 1 13 VAL QG 1 15 VAL H . . 4.650 3.261 2.900 3.777 . 0 0 "[ . 1 . 2]" 1
1688 1 13 VAL QG 1 53 LYS H . . 5.180 5.039 4.867 5.142 . 0 0 "[ . 1 . 2]" 1
1689 1 13 VAL QG 1 53 LYS HA . . 3.890 3.490 3.224 3.722 . 0 0 "[ . 1 . 2]" 1
1690 1 13 VAL QG 1 53 LYS HB2 . . 3.930 3.582 3.239 3.870 . 0 0 "[ . 1 . 2]" 1
1691 1 13 VAL QG 1 53 LYS HB3 . . 3.310 2.367 1.993 2.589 . 0 0 "[ . 1 . 2]" 1
1692 1 13 VAL QG 1 53 LYS HG3 . . 4.500 4.060 3.197 4.447 . 0 0 "[ . 1 . 2]" 1
1693 1 13 VAL QG 1 53 LYS QD . . 3.150 3.128 2.054 3.501 0.351 11 0 "[ . 1 . 2]" 1
1694 1 13 VAL QG 1 53 LYS QE . . 3.710 2.561 1.858 3.214 . 0 0 "[ . 1 . 2]" 1
1695 1 13 VAL QG 1 90 VAL H . . 4.310 3.493 2.929 3.969 . 0 0 "[ . 1 . 2]" 1
1696 1 13 VAL QG 1 91 ARG HA . . 4.170 4.486 4.109 4.677 0.507 13 4 "[* . 1 -+ . *2]" 1
1697 1 13 VAL QG 1 92 ARG H . . 4.520 4.436 4.248 4.527 0.007 7 0 "[ . 1 . 2]" 1
1698 1 13 VAL QG 1 92 ARG HB3 . . 4.530 4.608 4.145 4.806 0.276 4 0 "[ . 1 . 2]" 1
1699 1 13 VAL QG 1 92 ARG QG . . 4.010 3.207 2.735 3.700 . 0 0 "[ . 1 . 2]" 1
1700 1 13 VAL QG 1 92 ARG HE . . 4.730 3.529 2.058 4.592 . 0 0 "[ . 1 . 2]" 1
1701 1 15 VAL MG1 1 17 LEU QB . . 5.280 4.333 4.194 4.448 . 0 0 "[ . 1 . 2]" 1
1702 1 15 VAL MG1 1 54 MET QG . . 3.310 2.062 1.957 2.182 . 0 0 "[ . 1 . 2]" 1
1703 1 15 VAL MG2 1 53 LYS QD . . 4.560 4.070 3.179 4.549 . 0 0 "[ . 1 . 2]" 1
1704 1 16 GLN HA 1 16 GLN QG . . 3.420 2.317 2.187 2.447 . 0 0 "[ . 1 . 2]" 1
1705 1 16 GLN QE 1 16 GLN QG . . 3.080 2.162 2.067 2.225 . 0 0 "[ . 1 . 2]" 1
1706 1 16 GLN QG 1 17 LEU HA . . 4.890 4.621 4.238 4.911 0.021 15 0 "[ . 1 . 2]" 1
1707 1 16 GLN QG 1 85 ILE HA . . 5.330 4.830 4.658 4.973 . 0 0 "[ . 1 . 2]" 1
1708 1 16 GLN QG 1 85 ILE MG . . 2.930 2.277 2.058 2.530 . 0 0 "[ . 1 . 2]" 1
1709 1 16 GLN QG 1 85 ILE QG . . 5.080 4.309 4.076 4.569 . 0 0 "[ . 1 . 2]" 1
1710 1 16 GLN QG 1 87 LYS HA . . 4.310 3.409 2.948 3.650 . 0 0 "[ . 1 . 2]" 1
1711 1 16 GLN QG 1 87 LYS HG2 . . 4.250 2.506 2.110 3.168 . 0 0 "[ . 1 . 2]" 1
1712 1 16 GLN QG 1 87 LYS QD . . 4.350 3.395 1.943 3.715 . 0 0 "[ . 1 . 2]" 1
1713 1 16 GLN QE 1 85 ILE MG . . 3.560 2.387 1.794 3.044 . 0 0 "[ . 1 . 2]" 1
1714 1 17 LEU H 1 17 LEU QB . . 3.530 2.523 2.363 2.643 . 0 0 "[ . 1 . 2]" 1
1715 1 17 LEU HA 1 18 GLN QB . . 4.800 4.202 4.016 4.258 . 0 0 "[ . 1 . 2]" 1
1716 1 17 LEU QB 1 20 GLY H . . 5.340 4.214 4.109 4.304 . 0 0 "[ . 1 . 2]" 1
1717 1 17 LEU QB 1 23 TRP HE3 . . 4.000 2.532 2.153 2.829 . 0 0 "[ . 1 . 2]" 1
1718 1 17 LEU QB 1 23 TRP HZ3 . . 4.650 2.056 1.875 2.335 . 0 0 "[ . 1 . 2]" 1
1719 1 17 LEU QB 1 86 LEU H . . 4.410 2.230 1.984 2.426 . 0 0 "[ . 1 . 2]" 1
1720 1 17 LEU QB 1 86 LEU HB2 . . 4.790 2.624 2.474 2.876 . 0 0 "[ . 1 . 2]" 1
1721 1 17 LEU QB 1 86 LEU HB3 . . 4.710 2.320 2.039 2.608 . 0 0 "[ . 1 . 2]" 1
1722 1 17 LEU QD 1 23 TRP QB . . 3.550 2.204 2.039 2.360 . 0 0 "[ . 1 . 2]" 1
1723 1 17 LEU QD 1 47 LYS QB . . 3.510 2.285 1.971 2.734 . 0 0 "[ . 1 . 2]" 1
1724 1 18 GLN H 1 18 GLN QB . . 3.270 2.770 2.594 2.876 . 0 0 "[ . 1 . 2]" 1
1725 1 18 GLN QB 1 85 ILE HA . . 4.560 4.577 4.415 4.795 0.235 4 0 "[ . 1 . 2]" 1
1726 1 18 GLN QB 1 85 ILE MG . . 4.620 4.390 4.134 4.590 . 0 0 "[ . 1 . 2]" 1
1727 1 18 GLN QB 1 85 ILE QG . . 4.460 3.253 3.035 3.447 . 0 0 "[ . 1 . 2]" 1
1728 1 18 GLN QB 1 85 ILE MD . . 4.740 3.840 3.563 4.058 . 0 0 "[ . 1 . 2]" 1
1729 1 18 GLN QE 1 85 ILE MG . . 5.340 3.830 3.116 4.714 . 0 0 "[ . 1 . 2]" 1
1730 1 18 GLN QE 1 85 ILE MD . . 4.790 2.685 1.870 4.104 . 0 0 "[ . 1 . 2]" 1
1731 1 19 GLY H 1 47 LYS QE . . 5.150 4.702 4.252 4.930 . 0 0 "[ . 1 . 2]" 1
1732 1 19 GLY H 1 84 ARG QB . . 4.090 3.538 2.877 4.161 0.071 12 0 "[ . 1 . 2]" 1
1733 1 19 GLY H 1 84 ARG QD . . 5.340 4.860 3.364 6.248 0.908 18 2 "[ -. 1 . + 2]" 1
1734 1 19 GLY HA2 1 47 LYS QE . . 4.000 4.030 3.714 4.058 0.058 3 0 "[ . 1 . 2]" 1
1735 1 19 GLY HA3 1 47 LYS QD . . 5.040 4.072 3.094 4.656 . 0 0 "[ . 1 . 2]" 1
1736 1 19 GLY HA3 1 47 LYS QE . . 3.830 2.522 2.225 2.646 . 0 0 "[ . 1 . 2]" 1
1737 1 20 GLY H 1 47 LYS QD . . 5.340 4.366 3.697 5.274 . 0 0 "[ . 1 . 2]" 1
1738 1 20 GLY H 1 47 LYS QE . . 4.200 3.187 2.647 3.816 . 0 0 "[ . 1 . 2]" 1
1739 1 21 ALA MB 1 22 PRO QG . . 5.070 4.388 4.304 4.522 . 0 0 "[ . 1 . 2]" 1
1740 1 21 ALA MB 1 22 PRO QD . . 4.430 3.538 3.491 3.665 . 0 0 "[ . 1 . 2]" 1
1741 1 22 PRO QG 1 24 GLY H . . 5.350 5.210 4.823 5.352 0.002 14 0 "[ . 1 . 2]" 1
1742 1 23 TRP HA 1 47 LYS QB . . 3.880 2.055 1.988 2.237 . 0 0 "[ . 1 . 2]" 1
1743 1 23 TRP HA 1 47 LYS QD . . 3.800 3.657 2.215 4.561 0.761 12 7 "[* *-* * 1 + .* 2]" 1
1744 1 23 TRP QB 1 23 TRP HE1 . . 4.630 4.405 4.391 4.420 . 0 0 "[ . 1 . 2]" 1
1745 1 23 TRP QB 1 24 GLY H . . 3.920 2.433 2.327 2.703 . 0 0 "[ . 1 . 2]" 1
1746 1 23 TRP QB 1 25 PHE H . . 4.340 3.227 2.608 3.742 . 0 0 "[ . 1 . 2]" 1
1747 1 23 TRP QB 1 25 PHE QD . . 3.520 1.982 1.872 2.221 . 0 0 "[ . 1 . 2]" 1
1748 1 23 TRP QB 1 25 PHE QE . . 3.890 2.729 2.551 2.965 . 0 0 "[ . 1 . 2]" 1
1749 1 23 TRP HE3 1 47 LYS QD . . 4.770 3.503 2.844 4.381 . 0 0 "[ . 1 . 2]" 1
1750 1 23 TRP HE1 1 82 SER QB . . 4.390 2.163 1.837 2.578 . 0 0 "[ . 1 . 2]" 1
1751 1 24 GLY HA3 1 46 GLY QA . . 3.510 2.673 2.156 3.207 . 0 0 "[ . 1 . 2]" 1
1752 1 27 LEU HB3 1 28 LYS QB . . 5.340 4.964 4.753 5.123 . 0 0 "[ . 1 . 2]" 1
1753 1 28 LYS HA 1 72 ARG QD . . 4.140 3.050 2.375 3.830 . 0 0 "[ . 1 . 2]" 1
1754 1 28 LYS QB 1 28 LYS QD . . 3.190 2.194 2.063 2.506 . 0 0 "[ . 1 . 2]" 1
1755 1 28 LYS QB 1 28 LYS QE . . 3.560 2.311 2.107 2.489 . 0 0 "[ . 1 . 2]" 1
1756 1 28 LYS QB 1 29 GLY H . . 3.330 2.274 2.032 2.476 . 0 0 "[ . 1 . 2]" 1
1757 1 28 LYS QB 1 40 SER HB3 . . 3.540 2.029 1.976 2.108 . 0 0 "[ . 1 . 2]" 1
1758 1 29 GLY QA 1 33 HIS QB . . 4.430 3.068 2.718 3.299 . 0 0 "[ . 1 . 2]" 1
1759 1 29 GLY QA 1 35 GLU QG . . 4.390 3.322 2.761 3.840 . 0 0 "[ . 1 . 2]" 1
1760 1 30 GLY H 1 35 GLU QG . . 4.710 4.318 3.885 4.424 . 0 0 "[ . 1 . 2]" 1
1761 1 30 GLY HA2 1 31 LEU QD . . 5.440 4.923 3.933 5.420 . 0 0 "[ . 1 . 2]" 1
1762 1 31 LEU HA 1 31 LEU QD . . 3.340 3.040 2.496 3.424 0.084 8 0 "[ . 1 . 2]" 1
1763 1 31 LEU QB 1 71 SER QB . . 5.340 4.229 3.033 5.334 . 0 0 "[ . 1 . 2]" 1
1764 1 31 LEU HG 1 71 SER QB . . 5.340 4.701 3.760 5.342 0.002 18 0 "[ . 1 . 2]" 1
1765 1 31 LEU QD 1 32 GLU HA . . 3.870 3.057 2.151 3.881 0.011 18 0 "[ . 1 . 2]" 1
1766 1 31 LEU QD 1 32 GLU QG . . 4.530 3.688 2.398 4.545 0.015 16 0 "[ . 1 . 2]" 1
1767 1 31 LEU QD 1 33 HIS H . . 4.960 4.685 4.112 5.270 0.310 4 0 "[ . 1 . 2]" 1
1768 1 31 LEU QD 1 34 CYS H . . 4.600 4.223 3.962 4.636 0.036 8 0 "[ . 1 . 2]" 1
1769 1 31 LEU QD 1 70 GLY HA2 . . 4.940 4.151 3.651 4.412 . 0 0 "[ . 1 . 2]" 1
1770 1 31 LEU QD 1 70 GLY HA3 . . 4.320 2.978 2.378 3.702 . 0 0 "[ . 1 . 2]" 1
1771 1 31 LEU QD 1 71 SER HA . . 4.270 2.474 1.845 3.233 . 0 0 "[ . 1 . 2]" 1
1772 1 31 LEU QD 1 71 SER QB . . 3.890 2.592 2.095 3.212 . 0 0 "[ . 1 . 2]" 1
1773 1 32 GLU HA 1 32 GLU QG . . 3.180 2.474 2.189 2.883 . 0 0 "[ . 1 . 2]" 1
1774 1 32 GLU QB 1 33 HIS H . . 3.780 2.535 2.176 3.060 . 0 0 "[ . 1 . 2]" 1
1775 1 32 GLU QB 1 33 HIS HD2 . . 4.730 3.150 1.920 4.638 . 0 0 "[ . 1 . 2]" 1
1776 1 32 GLU QB 1 34 CYS H . . 5.220 4.454 4.101 4.766 . 0 0 "[ . 1 . 2]" 1
1777 1 32 GLU QG 1 33 HIS H . . 4.990 4.172 3.496 4.577 . 0 0 "[ . 1 . 2]" 1
1778 1 33 HIS H 1 33 HIS QB . . 3.300 2.449 2.261 2.608 . 0 0 "[ . 1 . 2]" 1
1779 1 33 HIS QB 1 34 CYS H . . 4.090 3.702 3.388 3.872 . 0 0 "[ . 1 . 2]" 1
1780 1 33 HIS QB 1 35 GLU H . . 4.740 3.455 3.063 3.788 . 0 0 "[ . 1 . 2]" 1
1781 1 33 HIS QB 1 35 GLU QG . . 4.120 2.801 2.521 3.253 . 0 0 "[ . 1 . 2]" 1
1782 1 35 GLU H 1 35 GLU QG . . 4.030 3.247 2.952 3.414 . 0 0 "[ . 1 . 2]" 1
1783 1 35 GLU HA 1 35 GLU QG . . 3.360 2.351 2.141 2.549 . 0 0 "[ . 1 . 2]" 1
1784 1 35 GLU QG 1 36 PRO HD3 . . 4.370 3.899 3.417 4.390 0.020 5 0 "[ . 1 . 2]" 1
1785 1 36 PRO HA 1 59 GLU QG . . 4.770 4.146 3.852 4.382 . 0 0 "[ . 1 . 2]" 1
1786 1 36 PRO HB2 1 59 GLU QG . . 4.180 3.330 2.995 3.629 . 0 0 "[ . 1 . 2]" 1
1787 1 36 PRO QG 1 38 THR MG . . 3.440 3.140 2.698 3.509 0.069 16 0 "[ . 1 . 2]" 1
1788 1 36 PRO QG 1 59 GLU QG . . 5.180 4.891 4.631 5.182 0.002 16 0 "[ . 1 . 2]" 1
1789 1 37 LEU H 1 59 GLU QG . . 4.450 4.043 3.565 4.323 . 0 0 "[ . 1 . 2]" 1
1790 1 37 LEU MD1 1 72 ARG QB . . 3.500 2.684 2.023 3.133 . 0 0 "[ . 1 . 2]" 1
1791 1 37 LEU MD1 1 72 ARG QG . . 4.080 3.035 2.314 3.778 . 0 0 "[ . 1 . 2]" 1
1792 1 38 THR HA 1 59 GLU QG . . 4.580 3.564 3.235 3.798 . 0 0 "[ . 1 . 2]" 1
1793 1 38 THR HB 1 57 GLY QA . . 4.550 3.247 3.028 3.655 . 0 0 "[ . 1 . 2]" 1
1794 1 38 THR MG 1 57 GLY QA . . 4.040 3.938 3.750 4.111 0.071 3 0 "[ . 1 . 2]" 1
1795 1 38 THR MG 1 58 ASP QB . . 5.340 4.511 4.214 4.894 . 0 0 "[ . 1 . 2]" 1
1796 1 38 THR MG 1 59 GLU QG . . 3.470 2.058 1.894 2.228 . 0 0 "[ . 1 . 2]" 1
1797 1 39 VAL HB 1 58 ASP QB . . 4.220 3.761 3.348 4.232 0.012 16 0 "[ . 1 . 2]" 1
1798 1 39 VAL MG1 1 58 ASP QB . . 4.450 4.495 4.138 4.946 0.496 1 0 "[ . 1 . 2]" 1
1799 1 39 VAL MG2 1 58 ASP QB . . 3.380 2.599 2.049 3.403 0.023 16 0 "[ . 1 . 2]" 1
1800 1 41 LYS H 1 41 LYS QG . . 4.360 4.181 3.964 4.364 0.004 6 0 "[ . 1 . 2]" 1
1801 1 41 LYS HA 1 41 LYS QG . . 3.400 2.723 2.306 3.104 . 0 0 "[ . 1 . 2]" 1
1802 1 41 LYS QG 1 43 GLU HA . . 4.830 4.268 3.800 4.647 . 0 0 "[ . 1 . 2]" 1
1803 1 41 LYS QG 1 43 GLU QG . . 4.590 4.071 3.204 4.766 0.176 6 0 "[ . 1 . 2]" 1
1804 1 42 ILE MD 1 54 MET QG . . 3.860 2.881 2.633 3.023 . 0 0 "[ . 1 . 2]" 1
1805 1 43 GLU HB2 1 46 GLY QA . . 4.220 3.018 2.036 3.516 . 0 0 "[ . 1 . 2]" 1
1806 1 43 GLU HB3 1 46 GLY QA . . 4.840 3.907 2.941 4.589 . 0 0 "[ . 1 . 2]" 1
1807 1 45 GLY H 1 50 LEU QD . . 5.120 4.748 4.475 5.113 . 0 0 "[ . 1 . 2]" 1
1808 1 45 GLY HA2 1 50 LEU QD . . 3.660 3.353 2.667 3.681 0.021 13 0 "[ . 1 . 2]" 1
1809 1 45 GLY HA3 1 50 LEU QD . . 4.140 4.313 3.667 4.614 0.474 1 0 "[ . 1 . 2]" 1
1810 1 46 GLY H 1 50 LEU QD . . 4.900 4.572 3.791 4.805 . 0 0 "[ . 1 . 2]" 1
1811 1 46 GLY QA 1 47 LYS H . . 3.120 2.250 2.140 2.282 . 0 0 "[ . 1 . 2]" 1
1812 1 46 GLY QA 1 47 LYS QD . . 4.690 4.017 2.922 4.862 0.172 14 0 "[ . 1 . 2]" 1
1813 1 46 GLY QA 1 48 ALA H . . 4.170 3.674 3.261 3.972 . 0 0 "[ . 1 . 2]" 1
1814 1 46 GLY QA 1 49 ALA MB . . 4.500 3.626 3.298 4.023 . 0 0 "[ . 1 . 2]" 1
1815 1 46 GLY QA 1 50 LEU QD . . 4.520 3.537 3.229 3.963 . 0 0 "[ . 1 . 2]" 1
1816 1 47 LYS H 1 47 LYS QB . . 3.370 2.431 2.227 2.617 . 0 0 "[ . 1 . 2]" 1
1817 1 47 LYS H 1 47 LYS QG . . 3.390 2.512 1.904 3.384 . 0 0 "[ . 1 . 2]" 1
1818 1 47 LYS H 1 47 LYS QD . . 3.530 3.000 1.958 3.842 0.312 12 0 "[ . 1 . 2]" 1
1819 1 47 LYS H 1 50 LEU QD . . 4.420 3.924 3.250 4.340 . 0 0 "[ . 1 . 2]" 1
1820 1 47 LYS HA 1 47 LYS QD . . 3.850 2.422 2.040 2.948 . 0 0 "[ . 1 . 2]" 1
1821 1 47 LYS HA 1 50 LEU QD . . 3.490 2.446 1.983 3.138 . 0 0 "[ . 1 . 2]" 1
1822 1 47 LYS QB 1 48 ALA H . . 3.390 2.363 2.075 2.707 . 0 0 "[ . 1 . 2]" 1
1823 1 47 LYS QB 1 48 ALA MB . . 4.530 3.789 3.667 3.983 . 0 0 "[ . 1 . 2]" 1
1824 1 47 LYS QB 1 50 LEU H . . 5.150 4.930 4.699 5.139 . 0 0 "[ . 1 . 2]" 1
1825 1 47 LYS QB 1 50 LEU QD . . 4.560 4.096 3.672 4.668 0.108 2 0 "[ . 1 . 2]" 1
1826 1 47 LYS QE 1 47 LYS QG . . 3.320 2.158 2.068 2.333 . 0 0 "[ . 1 . 2]" 1
1827 1 47 LYS QG 1 48 ALA H . . 5.100 4.040 3.709 4.542 . 0 0 "[ . 1 . 2]" 1
1828 1 48 ALA MB 1 54 MET QG . . 3.750 3.097 2.879 3.359 . 0 0 "[ . 1 . 2]" 1
1829 1 50 LEU H 1 50 LEU QD . . 3.220 3.194 2.903 3.332 0.112 6 0 "[ . 1 . 2]" 1
1830 1 50 LEU HA 1 50 LEU QD . . 2.700 2.104 1.963 2.471 . 0 0 "[ . 1 . 2]" 1
1831 1 50 LEU HA 1 52 GLN QE . . 4.260 3.608 2.790 4.232 . 0 0 "[ . 1 . 2]" 1
1832 1 50 LEU QD 1 51 SER H . . 4.540 4.108 3.902 4.274 . 0 0 "[ . 1 . 2]" 1
1833 1 53 LYS H 1 53 LYS QD . . 4.670 4.178 3.620 4.665 . 0 0 "[ . 1 . 2]" 1
1834 1 53 LYS H 1 54 MET QG . . 4.270 3.416 3.229 3.618 . 0 0 "[ . 1 . 2]" 1
1835 1 53 LYS HA 1 53 LYS QD . . 3.410 2.425 2.000 3.412 0.002 4 0 "[ . 1 . 2]" 1
1836 1 53 LYS HB2 1 54 MET QG . . 4.100 2.985 2.797 3.115 . 0 0 "[ . 1 . 2]" 1
1837 1 53 LYS HB3 1 53 LYS QD . . 3.410 2.449 2.051 2.971 . 0 0 "[ . 1 . 2]" 1
1838 1 54 MET H 1 54 MET QG . . 3.430 2.164 2.070 2.259 . 0 0 "[ . 1 . 2]" 1
1839 1 54 MET HA 1 55 ARG QG . . 5.340 4.845 3.960 5.496 0.156 19 0 "[ . 1 . 2]" 1
1840 1 54 MET ME 1 54 MET QG . . 2.860 2.337 2.183 2.419 . 0 0 "[ . 1 . 2]" 1
1841 1 54 MET QG 1 55 ARG H . . 4.240 4.011 3.746 4.210 . 0 0 "[ . 1 . 2]" 1
1842 1 54 MET QG 1 88 LEU MD1 . . 5.340 4.135 3.754 4.421 . 0 0 "[ . 1 . 2]" 1
1843 1 54 MET QG 1 90 VAL MG1 . . 4.620 4.307 4.031 4.590 . 0 0 "[ . 1 . 2]" 1
1844 1 55 ARG H 1 55 ARG QB . . 3.530 2.769 2.628 3.125 . 0 0 "[ . 1 . 2]" 1
1845 1 55 ARG H 1 55 ARG QG . . 3.900 3.785 2.729 4.234 0.334 5 0 "[ . 1 . 2]" 1
1846 1 55 ARG HA 1 55 ARG QG . . 3.380 2.477 2.123 3.333 . 0 0 "[ . 1 . 2]" 1
1847 1 55 ARG HA 1 55 ARG QD . . 4.300 3.524 2.174 4.203 . 0 0 "[ . 1 . 2]" 1
1848 1 55 ARG QB 1 55 ARG QD . . 2.980 2.172 2.036 2.426 . 0 0 "[ . 1 . 2]" 1
1849 1 55 ARG QB 1 55 ARG HE . . 4.770 3.493 1.975 4.326 . 0 0 "[ . 1 . 2]" 1
1850 1 55 ARG QB 1 56 THR H . . 3.290 2.820 1.963 3.477 0.187 19 0 "[ . 1 . 2]" 1
1851 1 55 ARG QG 1 56 THR H . . 3.700 2.865 1.894 3.771 0.071 11 0 "[ . 1 . 2]" 1
1852 1 55 ARG QD 1 56 THR H . . 4.210 3.401 1.851 4.216 0.006 10 0 "[ . 1 . 2]" 1
1853 1 55 ARG QD 1 56 THR MG . . 5.340 4.481 3.149 5.370 0.030 9 0 "[ . 1 . 2]" 1
1854 1 56 THR HA 1 57 GLY QA . . 5.340 3.905 3.899 3.921 . 0 0 "[ . 1 . 2]" 1
1855 1 58 ASP H 1 58 ASP QB . . 3.110 2.332 2.171 2.515 . 0 0 "[ . 1 . 2]" 1
1856 1 58 ASP QB 1 59 GLU H . . 3.650 2.699 2.482 2.923 . 0 0 "[ . 1 . 2]" 1
1857 1 58 ASP QB 1 90 VAL HA . . 4.400 4.270 4.094 4.406 0.006 1 0 "[ . 1 . 2]" 1
1858 1 58 ASP QB 1 90 VAL HB . . 3.420 2.048 1.970 2.163 . 0 0 "[ . 1 . 2]" 1
1859 1 58 ASP QB 1 90 VAL MG1 . . 3.380 2.553 2.016 3.142 . 0 0 "[ . 1 . 2]" 1
1860 1 58 ASP QB 1 90 VAL MG2 . . 3.510 2.506 2.137 2.933 . 0 0 "[ . 1 . 2]" 1
1861 1 58 ASP QB 1 91 ARG H . . 5.100 4.285 3.835 4.649 . 0 0 "[ . 1 . 2]" 1
1862 1 59 GLU H 1 59 GLU QG . . 4.330 4.053 4.027 4.097 . 0 0 "[ . 1 . 2]" 1
1863 1 59 GLU H 1 91 ARG QG . . 5.030 3.587 3.278 3.818 . 0 0 "[ . 1 . 2]" 1
1864 1 59 GLU HA 1 60 LEU QB . . 4.860 4.090 3.960 4.194 . 0 0 "[ . 1 . 2]" 1
1865 1 59 GLU HB2 1 91 ARG QG . . 4.210 3.333 3.116 3.730 . 0 0 "[ . 1 . 2]" 1
1866 1 59 GLU HB3 1 91 ARG QG . . 3.750 2.083 1.881 2.422 . 0 0 "[ . 1 . 2]" 1
1867 1 59 GLU QG 1 60 LEU H . . 4.040 3.328 2.928 3.829 . 0 0 "[ . 1 . 2]" 1
1868 1 59 GLU QG 1 61 VAL MG1 . . 3.600 2.495 2.178 3.486 . 0 0 "[ . 1 . 2]" 1
1869 1 59 GLU QG 1 91 ARG H . . 5.340 4.560 4.172 5.257 . 0 0 "[ . 1 . 2]" 1
1870 1 59 GLU QG 1 91 ARG QG . . 4.740 3.498 2.896 4.055 . 0 0 "[ . 1 . 2]" 1
1871 1 60 LEU QB 1 60 LEU MD1 . . 2.650 2.062 2.025 2.097 . 0 0 "[ . 1 . 2]" 1
1872 1 60 LEU QB 1 62 ASN H . . 5.340 4.442 4.015 4.688 . 0 0 "[ . 1 . 2]" 1
1873 1 60 LEU QB 1 88 LEU HB3 . . 5.080 4.466 4.113 4.742 . 0 0 "[ . 1 . 2]" 1
1874 1 60 LEU QB 1 90 VAL HA . . 5.330 4.490 4.258 4.826 . 0 0 "[ . 1 . 2]" 1
1875 1 60 LEU QB 1 90 VAL MG1 . . 3.830 2.661 2.309 3.146 . 0 0 "[ . 1 . 2]" 1
1876 1 60 LEU MD2 1 62 ASN QB . . 4.050 3.501 3.230 3.697 . 0 0 "[ . 1 . 2]" 1
1877 1 61 VAL MG1 1 91 ARG QG . . 4.130 3.338 2.959 3.914 . 0 0 "[ . 1 . 2]" 1
1878 1 61 VAL MG1 1 91 ARG QD . . 4.230 2.748 1.915 3.639 . 0 0 "[ . 1 . 2]" 1
1879 1 61 VAL MG2 1 62 ASN QB . . 3.450 2.577 2.354 2.680 . 0 0 "[ . 1 . 2]" 1
1880 1 61 VAL MG2 1 91 ARG QG . . 4.190 3.749 3.172 4.172 . 0 0 "[ . 1 . 2]" 1
1881 1 61 VAL MG2 1 91 ARG QD . . 4.290 3.087 2.261 4.285 . 0 0 "[ . 1 . 2]" 1
1882 1 62 ASN H 1 62 ASN QB . . 3.360 2.554 2.422 2.779 . 0 0 "[ . 1 . 2]" 1
1883 1 62 ASN HA 1 63 ILE QG . . 5.190 3.739 3.622 3.890 . 0 0 "[ . 1 . 2]" 1
1884 1 62 ASN QB 1 63 ILE H . . 4.130 3.784 3.713 3.846 . 0 0 "[ . 1 . 2]" 1
1885 1 62 ASN QB 1 67 PRO HA . . 4.360 3.750 3.514 4.037 . 0 0 "[ . 1 . 2]" 1
1886 1 62 ASN QB 1 89 ILE H . . 3.590 2.258 1.920 2.577 . 0 0 "[ . 1 . 2]" 1
1887 1 62 ASN QB 1 89 ILE HA . . 5.090 4.261 4.036 4.430 . 0 0 "[ . 1 . 2]" 1
1888 1 62 ASN QB 1 89 ILE HB . . 3.290 1.952 1.907 2.032 . 0 0 "[ . 1 . 2]" 1
1889 1 62 ASN QB 1 89 ILE MG . . 3.650 3.202 3.113 3.289 . 0 0 "[ . 1 . 2]" 1
1890 1 62 ASN QB 1 89 ILE HG12 . . 4.560 3.911 3.710 4.029 . 0 0 "[ . 1 . 2]" 1
1891 1 62 ASN QB 1 89 ILE MD . . 2.990 2.355 2.230 2.508 . 0 0 "[ . 1 . 2]" 1
1892 1 62 ASN QD 1 65 GLY H . . 4.640 4.371 3.881 4.515 . 0 0 "[ . 1 . 2]" 1
1893 1 62 ASN QD 1 65 GLY QA . . 3.860 3.258 2.876 3.441 . 0 0 "[ . 1 . 2]" 1
1894 1 62 ASN QD 1 66 THR H . . 4.430 3.610 3.189 4.123 . 0 0 "[ . 1 . 2]" 1
1895 1 62 ASN QD 1 66 THR HB . . 5.340 4.984 4.568 5.486 0.146 5 0 "[ . 1 . 2]" 1
1896 1 62 ASN QD 1 67 PRO HA . . 3.770 1.983 1.875 2.369 . 0 0 "[ . 1 . 2]" 1
1897 1 62 ASN QD 1 67 PRO HG2 . . 5.340 4.551 4.411 4.786 . 0 0 "[ . 1 . 2]" 1
1898 1 62 ASN QD 1 67 PRO HG3 . . 4.830 3.983 3.771 4.316 . 0 0 "[ . 1 . 2]" 1
1899 1 62 ASN QD 1 89 ILE MD . . 4.100 4.074 3.824 4.221 0.121 14 0 "[ . 1 . 2]" 1
1900 1 63 ILE HA 1 63 ILE QG . . 3.730 2.410 2.323 2.467 . 0 0 "[ . 1 . 2]" 1
1901 1 63 ILE MG 1 64 ASN QB . . 3.570 2.579 2.401 2.798 . 0 0 "[ . 1 . 2]" 1
1902 1 63 ILE MG 1 64 ASN QD . . 3.630 2.983 2.072 3.632 0.002 12 0 "[ . 1 . 2]" 1
1903 1 63 ILE MG 1 82 SER QB . . 5.340 4.870 4.427 5.607 0.267 14 0 "[ . 1 . 2]" 1
1904 1 63 ILE QG 1 88 LEU MD2 . . 3.470 2.354 2.080 2.885 . 0 0 "[ . 1 . 2]" 1
1905 1 64 ASN QB 1 65 GLY H . . 4.380 3.768 3.732 3.839 . 0 0 "[ . 1 . 2]" 1
1906 1 64 ASN QB 1 66 THR H . . 4.440 3.680 3.367 3.933 . 0 0 "[ . 1 . 2]" 1
1907 1 64 ASN QB 1 78 LEU QD . . 4.090 2.065 1.755 2.417 . 0 0 "[ . 1 . 2]" 1
1908 1 64 ASN QD 1 78 LEU QD . . 4.650 3.050 2.284 4.118 . 0 0 "[ . 1 . 2]" 1
1909 1 64 ASN QD 1 86 LEU HA . . 4.660 3.758 2.356 4.387 . 0 0 "[ . 1 . 2]" 1
1910 1 64 ASN QD 1 86 LEU QD . . 3.590 1.934 1.761 2.331 . 0 0 "[ . 1 . 2]" 1
1911 1 64 ASN QD 1 87 LYS H . . 5.160 4.136 2.446 4.622 . 0 0 "[ . 1 . 2]" 1
1912 1 66 THR H 1 67 PRO QD . . 4.190 4.074 3.982 4.178 . 0 0 "[ . 1 . 2]" 1
1913 1 66 THR HB 1 67 PRO QD . . 4.600 4.172 4.026 4.258 . 0 0 "[ . 1 . 2]" 1
1914 1 66 THR MG 1 67 PRO QD . . 3.130 2.467 2.165 2.607 . 0 0 "[ . 1 . 2]" 1
1915 1 68 LEU QD 1 74 GLU QG . . 3.620 2.357 2.004 2.885 . 0 0 "[ . 1 . 2]" 1
1916 1 71 SER HA 1 72 ARG QB . . 5.070 4.055 4.020 4.087 . 0 0 "[ . 1 . 2]" 1
1917 1 71 SER QB 1 74 GLU H . . 4.690 3.436 2.928 4.170 . 0 0 "[ . 1 . 2]" 1
1918 1 71 SER QB 1 74 GLU HB2 . . 4.760 3.382 2.528 3.979 . 0 0 "[ . 1 . 2]" 1
1919 1 71 SER QB 1 74 GLU HB3 . . 3.730 2.950 2.320 3.750 0.020 7 0 "[ . 1 . 2]" 1
1920 1 72 ARG HA 1 72 ARG QG . . 3.670 2.573 2.233 2.876 . 0 0 "[ . 1 . 2]" 1
1921 1 72 ARG QB 1 72 ARG QD . . 3.130 2.123 2.015 2.427 . 0 0 "[ . 1 . 2]" 1
1922 1 72 ARG QB 1 73 GLN H . . 3.290 2.275 2.031 2.727 . 0 0 "[ . 1 . 2]" 1
1923 1 72 ARG QG 1 73 GLN H . . 4.370 3.187 2.722 3.570 . 0 0 "[ . 1 . 2]" 1
1924 1 72 ARG QG 1 73 GLN HA . . 4.190 3.433 3.114 3.902 . 0 0 "[ . 1 . 2]" 1
1925 1 72 ARG QG 1 76 LEU HB2 . . 4.570 4.192 3.751 4.548 . 0 0 "[ . 1 . 2]" 1
1926 1 72 ARG QG 1 76 LEU HG . . 4.060 2.881 2.303 3.617 . 0 0 "[ . 1 . 2]" 1
1927 1 72 ARG QG 1 76 LEU QD . . 3.620 2.128 1.927 2.620 . 0 0 "[ . 1 . 2]" 1
1928 1 72 ARG QD 1 73 GLN QE . . 5.180 4.360 3.626 4.814 . 0 0 "[ . 1 . 2]" 1
1929 1 72 ARG QD 1 76 LEU HG . . 4.780 3.903 2.704 4.397 . 0 0 "[ . 1 . 2]" 1
1930 1 72 ARG QD 1 76 LEU QD . . 3.800 2.888 2.333 3.280 . 0 0 "[ . 1 . 2]" 1
1931 1 73 GLN H 1 73 GLN QB . . 3.250 2.281 2.213 2.403 . 0 0 "[ . 1 . 2]" 1
1932 1 73 GLN H 1 73 GLN QG . . 3.560 3.313 2.735 3.476 . 0 0 "[ . 1 . 2]" 1
1933 1 73 GLN HA 1 73 GLN QG . . 3.230 2.537 2.380 2.830 . 0 0 "[ . 1 . 2]" 1
1934 1 73 GLN QB 1 77 ILE MD . . 4.300 1.994 1.844 2.360 . 0 0 "[ . 1 . 2]" 1
1935 1 73 GLN QG 1 74 GLU H . . 4.760 4.108 4.023 4.252 . 0 0 "[ . 1 . 2]" 1
1936 1 73 GLN QG 1 77 ILE HG13 . . 4.480 3.916 3.501 4.148 . 0 0 "[ . 1 . 2]" 1
1937 1 73 GLN QE 1 76 LEU QD . . 4.330 3.230 2.623 4.277 . 0 0 "[ . 1 . 2]" 1
1938 1 73 GLN QE 1 77 ILE MD . . 4.400 4.492 3.880 4.789 0.389 13 0 "[ . 1 . 2]" 1
1939 1 74 GLU H 1 74 GLU QG . . 4.650 4.009 3.920 4.073 . 0 0 "[ . 1 . 2]" 1
1940 1 74 GLU HA 1 74 GLU QG . . 3.640 2.522 2.313 2.832 . 0 0 "[ . 1 . 2]" 1
1941 1 74 GLU QG 1 75 ALA H . . 4.500 3.417 3.128 3.671 . 0 0 "[ . 1 . 2]" 1
1942 1 74 GLU QG 1 75 ALA HA . . 4.550 3.563 3.285 3.856 . 0 0 "[ . 1 . 2]" 1
1943 1 74 GLU QG 1 75 ALA MB . . 4.820 4.260 4.027 4.544 . 0 0 "[ . 1 . 2]" 1
1944 1 74 GLU QG 1 78 LEU QD . . 4.550 2.709 2.471 2.915 . 0 0 "[ . 1 . 2]" 1
1945 1 77 ILE HA 1 80 LYS QG . . 4.230 2.851 1.930 3.729 . 0 0 "[ . 1 . 2]" 1
1946 1 79 ILE HA 1 82 SER QB . . 4.190 2.991 2.488 3.997 . 0 0 "[ . 1 . 2]" 1
1947 1 79 ILE MG 1 82 SER QB . . 4.000 2.715 2.459 3.191 . 0 0 "[ . 1 . 2]" 1
1948 1 80 LYS H 1 80 LYS QG . . 3.880 2.397 1.882 3.328 . 0 0 "[ . 1 . 2]" 1
1949 1 80 LYS HA 1 80 LYS QG . . 3.320 2.604 2.134 3.274 . 0 0 "[ . 1 . 2]" 1
1950 1 80 LYS QB 1 81 GLY QA . . 4.500 3.716 3.525 4.271 . 0 0 "[ . 1 . 2]" 1
1951 1 80 LYS QE 1 80 LYS QG . . 2.900 2.146 2.018 2.346 . 0 0 "[ . 1 . 2]" 1
1952 1 80 LYS QG 1 81 GLY H . . 4.580 3.884 1.885 4.545 . 0 0 "[ . 1 . 2]" 1
1953 1 82 SER H 1 82 SER QB . . 3.510 2.490 2.194 2.879 . 0 0 "[ . 1 . 2]" 1
1954 1 82 SER QB 1 86 LEU HB2 . . 4.420 3.626 3.081 4.009 . 0 0 "[ . 1 . 2]" 1
1955 1 82 SER QB 1 86 LEU HB3 . . 5.340 5.009 4.672 5.423 0.083 14 0 "[ . 1 . 2]" 1
1956 1 82 SER QB 1 86 LEU QD . . 3.530 1.860 1.688 2.266 . 0 0 "[ . 1 . 2]" 1
1957 1 84 ARG HA 1 84 ARG QG . . 3.450 2.598 2.191 3.335 . 0 0 "[ . 1 . 2]" 1
1958 1 84 ARG HA 1 84 ARG QD . . 4.340 3.874 2.090 4.358 0.018 11 0 "[ . 1 . 2]" 1
1959 1 84 ARG QB 1 84 ARG QD . . 3.130 2.140 2.039 2.301 . 0 0 "[ . 1 . 2]" 1
1960 1 84 ARG QB 1 85 ILE H . . 3.420 2.915 2.290 3.388 . 0 0 "[ . 1 . 2]" 1
1961 1 84 ARG QB 1 85 ILE QG . . 3.490 2.820 2.591 3.143 . 0 0 "[ . 1 . 2]" 1
1962 1 84 ARG QB 1 85 ILE MD . . 3.980 3.941 3.596 4.352 0.372 2 0 "[ . 1 . 2]" 1
1963 1 84 ARG QD 1 85 ILE MD . . 5.240 4.443 2.829 5.343 0.103 18 0 "[ . 1 . 2]" 1
1964 1 90 VAL HA 1 91 ARG QG . . 4.940 3.778 3.535 4.123 . 0 0 "[ . 1 . 2]" 1
1965 1 91 ARG H 1 91 ARG QG . . 3.280 1.988 1.878 2.288 . 0 0 "[ . 1 . 2]" 1
1966 1 91 ARG H 1 91 ARG QD . . 5.340 3.743 3.397 4.119 . 0 0 "[ . 1 . 2]" 1
1967 1 91 ARG HB2 1 91 ARG QD . . 3.650 2.549 2.085 2.968 . 0 0 "[ . 1 . 2]" 1
1968 1 91 ARG HE 1 91 ARG QG . . 3.490 2.416 2.144 2.980 . 0 0 "[ . 1 . 2]" 1
1969 1 91 ARG QD 1 92 ARG H . . 5.340 5.365 4.950 5.722 0.382 4 0 "[ . 1 . 2]" 1
1970 1 92 ARG H 1 92 ARG QG . . 3.680 2.148 1.889 2.548 . 0 0 "[ . 1 . 2]" 1
1971 1 92 ARG HA 1 93 ARG QB . . 4.810 4.404 3.974 4.533 . 0 0 "[ . 1 . 2]" 1
1972 1 93 ARG H 1 93 ARG QB . . 3.160 2.459 2.233 2.682 . 0 0 "[ . 1 . 2]" 1
1973 1 93 ARG H 1 93 ARG QG . . 3.580 2.281 1.881 3.627 0.047 20 0 "[ . 1 . 2]" 1
1974 1 93 ARG H 1 93 ARG QD . . 4.870 3.704 3.248 4.869 . 0 0 "[ . 1 . 2]" 1
1975 1 93 ARG HA 1 93 ARG QG . . 3.510 2.721 2.268 3.343 . 0 0 "[ . 1 . 2]" 1
1976 1 93 ARG HA 1 93 ARG QD . . 4.240 4.106 3.713 4.264 0.024 1 0 "[ . 1 . 2]" 1
1977 1 93 ARG HA 1 94 ASN QB . . 5.340 4.202 4.022 4.576 . 0 0 "[ . 1 . 2]" 1
1978 1 93 ARG QB 1 93 ARG QD . . 3.110 2.127 2.010 2.281 . 0 0 "[ . 1 . 2]" 1
1979 1 93 ARG QB 1 94 ASN H . . 3.890 3.261 2.741 3.922 0.032 1 0 "[ . 1 . 2]" 1
1980 1 93 ARG QG 1 94 ASN H . . 4.300 4.044 2.995 4.294 . 0 0 "[ . 1 . 2]" 1
1981 1 94 ASN H 1 94 ASN QB . . 3.480 2.357 2.127 2.678 . 0 0 "[ . 1 . 2]" 1
1982 1 94 ASN QB 1 94 ASN QD . . 3.090 2.178 2.065 2.463 . 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 2
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 361.252
_Distance_constraint_stats_list.Viol_max 1.377
_Distance_constraint_stats_list.Viol_rms 0.4287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4516
_Distance_constraint_stats_list.Viol_average_violations_only 0.4753
_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 60 LEU 18.063 1.377 9 18 "[********+** -******]"
1 89 ILE 16.641 1.377 9 18 "[********+** -******]"
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 60 LEU HG 1 89 ILE H . . 3.200 4.032 3.614 4.577 1.377 9 18 "[********+** -******]" 2
2 1 60 LEU HA 1 60 LEU HG . . 2.400 2.470 2.388 2.608 0.208 9 0 "[ . 1 . 2]" 2
stop_
save_
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