NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
543118 |
2lsy   |
18455 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lsy
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 1734
_Distance_constraint_stats_list.Viol_count 3556
_Distance_constraint_stats_list.Viol_total 16640.613
_Distance_constraint_stats_list.Viol_max 1.234
_Distance_constraint_stats_list.Viol_rms 0.0946
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0240
_Distance_constraint_stats_list.Viol_average_violations_only 0.2340
_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 2 ASN 0.808 0.323 10 0 "[ . 1 . 2]"
1 3 LEU 5.263 0.791 5 1 "[ + 1 . 2]"
1 4 ALA 0.898 0.184 16 0 "[ . 1 . 2]"
1 5 GLY 0.253 0.253 5 0 "[ . 1 . 2]"
1 6 ALA 5.826 0.421 6 0 "[ . 1 . 2]"
1 7 VAL 7.839 1.027 10 2 "[ . -+ . 2]"
1 8 GLU 14.295 1.027 10 3 "[ . *+ . - 2]"
1 9 PHE 26.687 0.766 14 15 "[* * ** *1***+**-***]"
1 10 ASN 27.558 0.919 13 12 "[ ** .* * 1-*+*.* ***]"
1 11 ASP 3.591 0.332 13 0 "[ . 1 . 2]"
1 12 VAL 31.457 0.798 10 17 "[*** *** *+ *****-***]"
1 13 LYS 13.516 0.919 13 7 "[ -* . * 1 *+ . **]"
1 14 THR 21.863 0.534 7 4 "[ . + 1 * . - *]"
1 15 LEU 23.729 0.534 7 4 "[ . + 1 * . - *]"
1 16 LEU 15.653 0.647 19 6 "[*** . 1* . +-]"
1 17 ARG 20.069 0.511 2 1 "[ + . 1 . 2]"
1 18 GLU 12.567 0.693 16 5 "[ . ** .+ * -]"
1 19 TRP 7.389 0.894 17 4 "[ * . 1 - *. + 2]"
1 20 ILE 13.157 0.600 7 8 "[ * +-** **. *]"
1 21 THR 11.330 0.693 16 7 "[ . * ** *.+ * -]"
1 22 THR 2.644 0.676 14 2 "[ . - 1 +. 2]"
1 23 ILE 6.985 0.894 17 4 "[ * . 1 - *. + 2]"
1 25 ASP 1.620 0.291 20 0 "[ . 1 . 2]"
1 26 PRO 24.045 0.884 14 15 "[****-****1* +**** 2]"
1 27 MET 16.910 0.543 14 2 "[ . 1 +. - 2]"
1 28 GLU 6.958 0.956 12 4 "[ * *. *1 + . 2]"
1 29 GLU 4.687 0.617 4 3 "[ +. 1 . - *2]"
1 30 ASP 0.444 0.221 4 0 "[ . 1 . 2]"
1 31 ILE 28.410 0.705 9 12 "[ * ** * +1-* .*****]"
1 32 LEU 33.172 0.956 12 5 "[ *. * 1-+ . *2]"
1 33 GLN 10.595 0.627 12 2 "[ -. 1 + . 2]"
1 34 VAL 8.505 0.647 19 3 "[- . 1* . +2]"
1 35 VAL 8.864 0.515 19 1 "[ . 1 . +2]"
1 36 LYS 0.857 0.152 2 0 "[ . 1 . 2]"
1 37 TYR 21.244 0.989 19 19 [****.-************+*]
1 38 CYS 30.867 0.707 16 12 "[ ** * 1*-***+** *]"
1 39 THR 27.556 1.174 4 12 "[***+.* *** * ***]"
1 40 ASP 7.065 0.617 4 3 "[* -+. 1 . 2]"
1 41 LEU 12.130 0.540 4 4 "[ +. 1 * . *- 2]"
1 42 ILE 35.530 0.707 16 13 "[ ** - 1*****+****]"
1 43 GLU 8.309 0.617 4 3 "[* -+. 1 . 2]"
1 44 GLU 7.029 0.851 19 5 "[ .-* * .* +2]"
1 45 LYS 23.099 0.851 19 12 "[ **-*** ** .** +*]"
1 46 ASP 17.824 0.655 11 8 "[ ** ** *1+ . * *]"
1 47 LEU 31.439 0.624 19 4 "[ *. *1- . +2]"
1 48 GLU 5.202 0.394 5 0 "[ . 1 . 2]"
1 49 LYS 27.339 0.798 10 11 "[*** . * *+ .**-**]"
1 50 LEU 37.876 0.989 19 19 [****.************-+*]
1 51 ASP 14.666 0.634 9 2 "[ . +1 - 2]"
1 52 LEU 22.269 0.913 7 6 "[ *. + - * *. *2]"
1 53 VAL 42.818 0.862 18 11 "[* **. * ** *. *+**]"
1 54 ILE 39.370 0.772 20 15 "[-** * ** * **** ***+]"
1 55 LYS 20.978 0.997 15 8 "[ ** - * * *+ *2]"
1 56 TYR 11.918 0.862 18 5 "[* . - 1 *. *+ 2]"
1 57 MET 28.188 0.955 12 12 "[* *** *** + *. * *-]"
1 58 LYS 31.065 0.683 6 13 "[ *.+ **1******-* *]"
1 59 ARG 18.573 0.628 9 10 "[ ** **+* **. - *]"
1 60 LEU 36.247 0.628 9 5 "[ ** . +1 . - *]"
1 61 MET 35.680 0.955 12 18 "[* **** ****+****-***]"
1 62 GLN 1.496 0.291 11 0 "[ . 1 . 2]"
1 63 GLN 7.744 0.450 12 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 3.353 0.427 20 0 "[ . 1 . 2]"
1 66 GLU 8.767 0.473 8 0 "[ . 1 . 2]"
1 67 SER 4.113 0.355 9 0 "[ . 1 . 2]"
1 68 VAL 4.135 0.530 20 1 "[ . 1 . +]"
1 69 TRP 25.096 0.879 16 16 "[*********1- **+** *]"
1 70 ASN 11.767 0.527 5 6 "[ *- + * 1** . 2]"
1 71 MET 12.097 0.524 12 4 "[ *- . * 1 + . 2]"
1 72 ALA 15.019 0.485 9 0 "[ . 1 . 2]"
1 73 PHE 5.872 0.681 1 1 "[+ . 1 . 2]"
1 74 ASP 5.978 0.485 3 0 "[ . 1 . 2]"
1 75 PHE 10.395 0.485 9 0 "[ . 1 . 2]"
1 76 ILE 41.463 0.879 16 15 "[** ** ***1-* *+****]"
1 77 LEU 60.331 0.777 12 16 "[- *** **** +*** ****]"
1 78 ASP 4.075 0.291 20 0 "[ . 1 . 2]"
1 79 ASN 2.720 0.240 11 0 "[ . 1 . 2]"
1 80 VAL 38.124 1.174 4 17 "[***+.***** ** ****-*]"
1 81 GLN 40.146 1.002 20 10 "[* .- ** ** ** *+]"
1 82 VAL 19.077 0.712 6 2 "[ .+ 1 . -2]"
1 83 VAL 9.786 0.577 4 1 "[ +. 1 . 2]"
1 84 LEU 17.649 0.864 6 7 "[** .+- 1 *** 2]"
1 85 GLN 36.994 0.712 6 14 "[* ***+***** * - **2]"
1 86 GLN 11.047 0.425 12 0 "[ . 1 . 2]"
1 87 THR 22.551 0.864 6 7 "[ * -.+* 1 *** 2]"
1 88 TYR 12.883 0.470 6 0 "[ . 1 . 2]"
1 89 GLY 1.622 0.566 1 1 "[+ . 1 . 2]"
1 90 SER 12.789 0.630 3 5 "[* + .- **1 . 2]"
1 91 THR 23.336 0.727 12 17 "[*** *-**** +****** *]"
1 92 LEU 22.475 0.904 9 12 "[ ***** *+1-** ** 2]"
1 93 LYS 25.746 1.023 7 14 "[ *****+**1-***.** 2]"
1 94 VAL 29.258 1.234 18 12 "[* - *** 1 *** *+**]"
1 95 THR 10.225 1.234 18 5 "[* . 1 *. +*-]"
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 63 GLN H 1 63 GLN QB . . 3.360 2.286 2.219 2.565 . 0 0 "[ . 1 . 2]" 1
2 1 87 THR H 1 87 THR HB . . 3.350 2.601 2.550 2.685 . 0 0 "[ . 1 . 2]" 1
3 1 87 THR H 1 87 THR MG . . 4.010 3.841 3.801 3.888 . 0 0 "[ . 1 . 2]" 1
4 1 84 LEU HA 1 87 THR H . . 3.590 3.453 3.240 3.677 0.087 6 0 "[ . 1 . 2]" 1
5 1 75 PHE H 1 75 PHE HB3 . . 3.700 2.461 2.368 2.558 . 0 0 "[ . 1 . 2]" 1
6 1 52 LEU H 1 52 LEU QD . . 3.590 3.037 2.884 3.131 . 0 0 "[ . 1 . 2]" 1
7 1 13 LYS HB2 1 14 THR H . . 3.420 2.585 2.312 3.690 0.270 13 0 "[ . 1 . 2]" 1
8 1 52 LEU H 1 52 LEU HG . . 3.050 2.296 2.228 2.377 . 0 0 "[ . 1 . 2]" 1
9 1 44 GLU H 1 44 GLU HG3 . . 4.090 2.875 2.351 3.923 . 0 0 "[ . 1 . 2]" 1
10 1 43 GLU HB2 1 44 GLU H . . 3.310 2.908 2.763 3.167 . 0 0 "[ . 1 . 2]" 1
11 1 74 ASP H 1 74 ASP HB2 . . 3.920 2.498 2.349 2.570 . 0 0 "[ . 1 . 2]" 1
12 1 74 ASP H 1 74 ASP HB3 . . 3.920 2.569 2.436 2.712 . 0 0 "[ . 1 . 2]" 1
13 1 73 PHE HB2 1 74 ASP H . . 4.210 3.904 3.804 3.997 . 0 0 "[ . 1 . 2]" 1
14 1 17 ARG H 1 17 ARG QG . . 4.830 4.033 3.983 4.058 . 0 0 "[ . 1 . 2]" 1
15 1 17 ARG H 1 17 ARG HD3 . . 5.200 4.998 4.808 5.148 . 0 0 "[ . 1 . 2]" 1
16 1 17 ARG H 1 17 ARG HB2 . . 3.990 2.682 2.577 2.793 . 0 0 "[ . 1 . 2]" 1
17 1 47 LEU H 1 47 LEU HB3 . . 3.930 3.633 3.593 3.665 . 0 0 "[ . 1 . 2]" 1
18 1 49 LYS H 1 49 LYS QG . . 4.160 3.642 2.553 4.084 . 0 0 "[ . 1 . 2]" 1
19 1 49 LYS H 1 49 LYS HB3 . . 3.560 2.947 2.266 3.541 . 0 0 "[ . 1 . 2]" 1
20 1 49 LYS H 1 49 LYS HB2 . . 3.560 2.286 2.095 2.735 . 0 0 "[ . 1 . 2]" 1
21 1 45 LYS H 1 88 TYR QE . . 5.500 4.699 4.346 5.173 . 0 0 "[ . 1 . 2]" 1
22 1 86 GLN H 1 86 GLN HB2 . . 3.730 2.554 2.487 2.737 . 0 0 "[ . 1 . 2]" 1
23 1 86 GLN H 1 86 GLN HG2 . . 3.810 2.383 2.208 2.503 . 0 0 "[ . 1 . 2]" 1
24 1 86 GLN H 1 86 GLN HG3 . . 3.540 3.796 3.677 3.898 0.358 19 0 "[ . 1 . 2]" 1
25 1 77 LEU H 1 77 LEU HB3 . . 3.570 2.735 2.655 2.811 . 0 0 "[ . 1 . 2]" 1
26 1 77 LEU H 1 77 LEU HB2 . . 3.570 2.358 2.306 2.404 . 0 0 "[ . 1 . 2]" 1
27 1 57 MET H 1 57 MET ME . . 4.520 3.817 3.634 4.024 . 0 0 "[ . 1 . 2]" 1
28 1 61 MET H 1 62 GLN QG . . 5.410 4.279 3.941 4.576 . 0 0 "[ . 1 . 2]" 1
29 1 61 MET H 1 61 MET HG3 . . 3.910 2.733 2.313 3.670 . 0 0 "[ . 1 . 2]" 1
30 1 61 MET H 1 61 MET HG2 . . 3.910 3.330 2.124 3.786 . 0 0 "[ . 1 . 2]" 1
31 1 31 ILE H 1 31 ILE QG . . 4.200 2.167 2.062 2.412 . 0 0 "[ . 1 . 2]" 1
32 1 31 ILE H 1 31 ILE HB . . 3.930 2.478 2.408 2.566 . 0 0 "[ . 1 . 2]" 1
33 1 6 ALA H 1 6 ALA MB . . 3.160 2.329 2.225 2.627 . 0 0 "[ . 1 . 2]" 1
34 1 58 LYS QB 1 59 ARG H . . 3.860 2.349 2.185 2.522 . 0 0 "[ . 1 . 2]" 1
35 1 59 ARG H 1 59 ARG HG3 . . 4.570 2.892 2.048 4.531 . 0 0 "[ . 1 . 2]" 1
36 1 59 ARG H 1 59 ARG QB . . 3.210 2.409 2.224 2.546 . 0 0 "[ . 1 . 2]" 1
37 1 36 LYS H 1 36 LYS QG . . 4.280 2.365 2.090 2.601 . 0 0 "[ . 1 . 2]" 1
38 1 36 LYS H 1 36 LYS HB2 . . 3.620 2.495 2.362 2.621 . 0 0 "[ . 1 . 2]" 1
39 1 36 LYS H 1 36 LYS HB3 . . 3.620 3.623 3.598 3.651 0.031 10 0 "[ . 1 . 2]" 1
40 1 65 VAL H 1 65 VAL HB . . 4.070 2.999 2.451 3.998 . 0 0 "[ . 1 . 2]" 1
41 1 65 VAL H 1 65 VAL MG1 . . 4.080 2.173 1.937 2.542 . 0 0 "[ . 1 . 2]" 1
42 1 54 ILE H 1 54 ILE HB . . 3.290 2.386 2.270 2.453 . 0 0 "[ . 1 . 2]" 1
43 1 54 ILE H 1 54 ILE MG . . 3.740 3.777 3.706 3.820 0.080 9 0 "[ . 1 . 2]" 1
44 1 54 ILE H 1 54 ILE MD . . 3.950 3.657 3.460 3.940 . 0 0 "[ . 1 . 2]" 1
45 1 54 ILE H 1 54 ILE HG13 . . 3.930 3.799 3.687 3.942 0.012 5 0 "[ . 1 . 2]" 1
46 1 54 ILE H 1 54 ILE HG12 . . 3.710 2.524 2.410 2.765 . 0 0 "[ . 1 . 2]" 1
47 1 82 VAL H 1 82 VAL HB . . 3.220 2.525 2.394 2.615 . 0 0 "[ . 1 . 2]" 1
48 1 82 VAL H 1 82 VAL MG1 . . 3.910 3.831 3.790 3.862 . 0 0 "[ . 1 . 2]" 1
49 1 50 LEU H 1 50 LEU HB2 . . 3.360 2.447 2.353 2.528 . 0 0 "[ . 1 . 2]" 1
50 1 50 LEU H 1 50 LEU HB3 . . 3.340 2.619 2.517 2.722 . 0 0 "[ . 1 . 2]" 1
51 1 85 GLN QB 1 86 GLN HE22 . . 5.500 4.239 3.447 4.882 . 0 0 "[ . 1 . 2]" 1
52 1 86 GLN HB2 1 86 GLN HE22 . . 5.500 5.318 5.151 5.409 . 0 0 "[ . 1 . 2]" 1
53 1 17 ARG HB3 1 18 GLU H . . 3.860 2.399 2.289 2.549 . 0 0 "[ . 1 . 2]" 1
54 1 18 GLU H 1 18 GLU HG3 . . 4.250 3.367 2.110 3.733 . 0 0 "[ . 1 . 2]" 1
55 1 18 GLU H 1 18 GLU HB2 . . 3.910 2.899 2.419 3.645 . 0 0 "[ . 1 . 2]" 1
56 1 18 GLU H 1 18 GLU HB3 . . 3.910 3.298 2.541 3.628 . 0 0 "[ . 1 . 2]" 1
57 1 18 GLU H 1 18 GLU HG2 . . 4.250 2.336 1.999 3.451 . 0 0 "[ . 1 . 2]" 1
58 1 61 MET HA 1 64 SER H . . 5.500 3.416 3.068 3.996 . 0 0 "[ . 1 . 2]" 1
59 1 43 GLU H 1 43 GLU HB2 . . 3.340 2.538 2.468 2.664 . 0 0 "[ . 1 . 2]" 1
60 1 43 GLU H 1 43 GLU HG3 . . 3.560 2.643 1.968 3.780 0.220 20 0 "[ . 1 . 2]" 1
61 1 43 GLU H 1 43 GLU HG2 . . 3.480 3.069 2.139 3.513 0.033 10 0 "[ . 1 . 2]" 1
62 1 10 ASN HB2 1 11 ASP H . . 3.870 3.210 2.793 3.864 . 0 0 "[ . 1 . 2]" 1
63 1 10 ASN HB3 1 11 ASP H . . 4.280 3.614 2.698 4.051 . 0 0 "[ . 1 . 2]" 1
64 1 85 GLN HA 1 85 GLN HE22 . . 5.500 5.621 3.430 6.084 0.584 1 5 "[+ . ** * - 2]" 1
65 1 85 GLN H 1 85 GLN HE22 . . 5.500 5.676 5.051 6.046 0.546 5 5 "[ -+ * 1* . * 2]" 1
66 1 49 LYS QG 1 53 VAL H . . 5.500 5.183 4.057 6.109 0.609 9 3 "[ . +1 . -*2]" 1
67 1 53 VAL H 1 53 VAL MG1 . . 3.530 2.352 2.250 2.476 . 0 0 "[ . 1 . 2]" 1
68 1 71 MET H 1 71 MET QB . . 3.550 2.428 2.350 2.544 . 0 0 "[ . 1 . 2]" 1
69 1 81 GLN H 1 81 GLN HB2 . . 3.480 2.476 2.220 2.596 . 0 0 "[ . 1 . 2]" 1
70 1 81 GLN H 1 81 GLN HG3 . . 4.070 3.861 3.649 4.223 0.153 7 0 "[ . 1 . 2]" 1
71 1 81 GLN H 1 81 GLN HG2 . . 4.070 2.673 2.260 4.011 . 0 0 "[ . 1 . 2]" 1
72 1 79 ASN H 1 81 GLN H . . 5.190 4.297 4.021 4.535 . 0 0 "[ . 1 . 2]" 1
73 1 81 GLN H 1 81 GLN HB3 . . 3.620 3.629 3.520 3.676 0.056 14 0 "[ . 1 . 2]" 1
74 1 13 LYS H 1 13 LYS HB2 . . 3.940 2.625 2.472 3.626 . 0 0 "[ . 1 . 2]" 1
75 1 13 LYS H 1 13 LYS HB3 . . 3.840 3.591 2.654 3.664 . 0 0 "[ . 1 . 2]" 1
76 1 37 TYR QB 1 38 CYS H . . 3.660 2.381 2.271 2.630 . 0 0 "[ . 1 . 2]" 1
77 1 38 CYS H 1 38 CYS HB2 . . 4.100 2.505 2.460 2.551 . 0 0 "[ . 1 . 2]" 1
78 1 55 LYS H 1 55 LYS HG2 . . 3.660 2.423 2.115 3.230 . 0 0 "[ . 1 . 2]" 1
79 1 55 LYS H 1 55 LYS HG3 . . 3.930 3.651 3.299 4.187 0.257 7 0 "[ . 1 . 2]" 1
80 1 55 LYS H 1 55 LYS HB3 . . 3.610 2.534 2.434 2.644 . 0 0 "[ . 1 . 2]" 1
81 1 49 LYS HA 1 52 LEU H . . 4.190 3.596 3.320 3.941 . 0 0 "[ . 1 . 2]" 1
82 1 14 THR H 1 14 THR MG . . 4.210 3.803 3.783 3.834 . 0 0 "[ . 1 . 2]" 1
83 1 60 LEU H 1 60 LEU MD1 . . 4.500 3.611 3.485 3.763 . 0 0 "[ . 1 . 2]" 1
84 1 60 LEU H 1 60 LEU HG . . 3.610 2.263 2.056 2.410 . 0 0 "[ . 1 . 2]" 1
85 1 60 LEU H 1 60 LEU QB . . 3.660 2.506 2.444 2.599 . 0 0 "[ . 1 . 2]" 1
86 1 95 THR H 1 95 THR HB . . 3.420 3.340 2.604 3.723 0.303 12 0 "[ . 1 . 2]" 1
87 1 95 THR H 1 95 THR MG . . 3.740 2.646 1.939 3.843 0.103 18 0 "[ . 1 . 2]" 1
88 1 48 GLU H 1 48 GLU HG3 . . 4.200 3.205 2.198 3.865 . 0 0 "[ . 1 . 2]" 1
89 1 48 GLU H 1 48 GLU HB2 . . 4.040 2.610 2.382 3.694 . 0 0 "[ . 1 . 2]" 1
90 1 48 GLU H 1 48 GLU HG2 . . 4.200 2.781 2.110 3.966 . 0 0 "[ . 1 . 2]" 1
91 1 48 GLU H 1 48 GLU HB3 . . 4.040 3.580 2.764 3.644 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL H 1 12 VAL HB . . 3.430 2.558 2.384 2.666 . 0 0 "[ . 1 . 2]" 1
93 1 80 VAL H 1 80 VAL MG2 . . 4.110 2.198 2.048 2.260 . 0 0 "[ . 1 . 2]" 1
94 1 79 ASN HB3 1 80 VAL H . . 3.860 3.507 3.240 3.714 . 0 0 "[ . 1 . 2]" 1
95 1 80 VAL H 1 80 VAL HB . . 3.980 2.449 2.366 2.526 . 0 0 "[ . 1 . 2]" 1
96 1 75 PHE HB3 1 76 ILE H . . 4.020 2.386 2.262 2.568 . 0 0 "[ . 1 . 2]" 1
97 1 76 ILE H 1 76 ILE MD . . 3.550 3.554 3.447 3.638 0.088 12 0 "[ . 1 . 2]" 1
98 1 76 ILE H 1 76 ILE HG13 . . 3.690 2.189 2.130 2.239 . 0 0 "[ . 1 . 2]" 1
99 1 76 ILE H 1 76 ILE MG . . 3.850 3.824 3.797 3.845 . 0 0 "[ . 1 . 2]" 1
100 1 31 ILE MG 1 76 ILE H . . 4.050 3.864 3.570 4.262 0.212 19 0 "[ . 1 . 2]" 1
101 1 76 ILE H 1 76 ILE HG12 . . 4.260 3.516 3.429 3.597 . 0 0 "[ . 1 . 2]" 1
102 1 76 ILE H 1 76 ILE HB . . 3.500 2.545 2.467 2.604 . 0 0 "[ . 1 . 2]" 1
103 1 85 GLN QB 1 86 GLN HE21 . . 5.500 3.351 2.607 3.974 . 0 0 "[ . 1 . 2]" 1
104 1 83 VAL H 1 83 VAL HB . . 3.310 2.576 2.503 2.619 . 0 0 "[ . 1 . 2]" 1
105 1 41 LEU MD2 1 50 LEU H . . 4.120 3.745 3.146 4.341 0.221 4 0 "[ . 1 . 2]" 1
106 1 42 ILE H 1 42 ILE HB . . 3.300 2.531 2.417 2.617 . 0 0 "[ . 1 . 2]" 1
107 1 28 GLU H 1 28 GLU HB2 . . 4.010 2.502 2.392 2.607 . 0 0 "[ . 1 . 2]" 1
108 1 28 GLU H 1 28 GLU HB3 . . 3.930 2.691 2.539 3.662 . 0 0 "[ . 1 . 2]" 1
109 1 92 LEU QB 1 93 LYS H . . 3.690 3.003 2.540 3.564 . 0 0 "[ . 1 . 2]" 1
110 1 62 GLN H 1 63 GLN QB . . 4.280 4.095 3.950 4.508 0.228 12 0 "[ . 1 . 2]" 1
111 1 62 GLN H 1 62 GLN QG . . 3.350 2.552 2.400 2.745 . 0 0 "[ . 1 . 2]" 1
112 1 61 MET HB2 1 62 GLN H . . 3.570 3.131 2.862 3.249 . 0 0 "[ . 1 . 2]" 1
113 1 62 GLN H 1 62 GLN HB2 . . 3.730 2.545 2.465 2.631 . 0 0 "[ . 1 . 2]" 1
114 1 56 TYR H 1 56 TYR HB3 . . 3.650 2.740 2.548 2.940 . 0 0 "[ . 1 . 2]" 1
115 1 56 TYR H 1 56 TYR HB2 . . 3.650 2.431 2.295 2.552 . 0 0 "[ . 1 . 2]" 1
116 1 56 TYR H 1 56 TYR QD . . 5.160 4.174 4.041 4.264 . 0 0 "[ . 1 . 2]" 1
117 1 42 ILE MD 1 84 LEU H . . 3.630 3.002 2.730 3.241 . 0 0 "[ . 1 . 2]" 1
118 1 84 LEU H 1 84 LEU HB2 . . 3.190 2.196 2.041 2.494 . 0 0 "[ . 1 . 2]" 1
119 1 40 ASP H 1 40 ASP HB2 . . 3.560 2.537 2.371 2.739 . 0 0 "[ . 1 . 2]" 1
120 1 40 ASP H 1 40 ASP HB3 . . 3.560 2.686 2.384 3.662 0.102 4 0 "[ . 1 . 2]" 1
121 1 66 GLU H 1 66 GLU HG2 . . 4.560 3.295 1.958 4.655 0.095 8 0 "[ . 1 . 2]" 1
122 1 66 GLU H 1 66 GLU HG3 . . 4.560 3.661 2.130 5.033 0.473 8 0 "[ . 1 . 2]" 1
123 1 66 GLU H 1 66 GLU HB2 . . 3.780 2.559 2.113 2.919 . 0 0 "[ . 1 . 2]" 1
124 1 66 GLU H 1 66 GLU HB3 . . 3.780 3.470 2.709 3.794 0.014 7 0 "[ . 1 . 2]" 1
125 1 73 PHE H 1 73 PHE HB3 . . 3.620 2.507 2.405 2.656 . 0 0 "[ . 1 . 2]" 1
126 1 73 PHE H 1 73 PHE HB2 . . 3.620 2.632 2.532 2.696 . 0 0 "[ . 1 . 2]" 1
127 1 69 TRP HE3 1 73 PHE H . . 5.080 4.533 3.477 5.185 0.105 20 0 "[ . 1 . 2]" 1
128 1 73 PHE H 1 73 PHE HD1 . . 5.470 4.727 4.625 4.792 . 0 0 "[ . 1 . 2]" 1
129 1 62 GLN HE22 1 70 ASN HA . . 5.500 3.036 1.811 4.384 . 0 0 "[ . 1 . 2]" 1
130 1 37 TYR H 1 37 TYR QB . . 3.280 2.254 2.200 2.304 . 0 0 "[ . 1 . 2]" 1
131 1 75 PHE H 1 75 PHE HB2 . . 3.700 2.608 2.527 2.689 . 0 0 "[ . 1 . 2]" 1
132 1 58 LYS H 1 58 LYS QB . . 3.270 2.259 2.194 2.319 . 0 0 "[ . 1 . 2]" 1
133 1 58 LYS H 1 58 LYS QD . . 4.620 4.724 4.414 4.856 0.236 9 0 "[ . 1 . 2]" 1
134 1 57 MET QB 1 58 LYS H . . 4.100 2.579 2.291 2.880 . 0 0 "[ . 1 . 2]" 1
135 1 85 GLN HA 1 85 GLN HE21 . . 5.500 4.546 2.470 5.004 . 0 0 "[ . 1 . 2]" 1
136 1 33 GLN H 1 33 GLN HG2 . . 4.130 3.853 2.499 4.441 0.311 12 0 "[ . 1 . 2]" 1
137 1 33 GLN H 1 33 GLN HE22 . . 5.500 5.120 3.394 6.017 0.517 4 1 "[ +. 1 . 2]" 1
138 1 61 MET HB2 1 62 GLN HE21 . . 4.750 3.110 2.639 3.505 . 0 0 "[ . 1 . 2]" 1
139 1 62 GLN H 1 62 GLN HE21 . . 4.560 3.211 2.998 3.520 . 0 0 "[ . 1 . 2]" 1
140 1 46 ASP H 1 46 ASP HB2 . . 3.770 2.647 2.408 3.084 . 0 0 "[ . 1 . 2]" 1
141 1 46 ASP H 1 46 ASP HB3 . . 3.770 2.846 2.444 3.656 . 0 0 "[ . 1 . 2]" 1
142 1 85 GLN QB 1 86 GLN H . . 3.520 2.861 2.594 3.023 . 0 0 "[ . 1 . 2]" 1
143 1 10 ASN H 1 11 ASP H . . 3.750 2.493 2.373 2.575 . 0 0 "[ . 1 . 2]" 1
144 1 10 ASN H 1 10 ASN HB2 . . 3.490 2.432 2.289 2.574 . 0 0 "[ . 1 . 2]" 1
145 1 94 VAL H 1 94 VAL QG . . 3.370 2.031 1.828 2.714 . 0 0 "[ . 1 . 2]" 1
146 1 94 VAL H 1 94 VAL HB . . 4.180 3.614 2.618 3.965 . 0 0 "[ . 1 . 2]" 1
147 1 66 GLU HB2 1 67 SER H . . 4.020 4.200 3.925 4.375 0.355 9 0 "[ . 1 . 2]" 1
148 1 83 VAL H 1 85 GLN H . . 5.500 4.149 4.054 4.290 . 0 0 "[ . 1 . 2]" 1
149 1 66 GLU HB3 1 67 SER H . . 4.020 3.397 2.979 4.012 . 0 0 "[ . 1 . 2]" 1
150 1 85 GLN H 1 85 GLN HE21 . . 5.500 4.659 3.445 5.431 . 0 0 "[ . 1 . 2]" 1
151 1 85 GLN H 1 85 GLN QG . . 3.950 2.320 2.181 2.521 . 0 0 "[ . 1 . 2]" 1
152 1 79 ASN H 1 79 ASN HB2 . . 3.360 2.439 2.362 2.543 . 0 0 "[ . 1 . 2]" 1
153 1 79 ASN H 1 79 ASN HB3 . . 3.720 3.613 3.569 3.646 . 0 0 "[ . 1 . 2]" 1
154 1 79 ASN H 1 79 ASN HD22 . . 4.160 3.563 3.431 3.799 . 0 0 "[ . 1 . 2]" 1
155 1 79 ASN H 1 79 ASN HD21 . . 4.160 2.161 1.828 2.436 . 0 0 "[ . 1 . 2]" 1
156 1 88 TYR HB3 1 90 SER H . . 5.500 3.302 2.800 3.610 . 0 0 "[ . 1 . 2]" 1
157 1 33 GLN H 1 33 GLN HE21 . . 5.500 4.171 3.129 5.038 . 0 0 "[ . 1 . 2]" 1
158 1 21 THR HB 1 22 THR H . . 4.400 3.981 3.547 4.369 . 0 0 "[ . 1 . 2]" 1
159 1 62 GLN H 1 62 GLN HE22 . . 5.090 4.804 4.573 5.081 . 0 0 "[ . 1 . 2]" 1
160 1 32 LEU H 1 32 LEU HG . . 3.420 2.443 2.276 2.642 . 0 0 "[ . 1 . 2]" 1
161 1 70 ASN H 1 70 ASN QB . . 3.190 2.356 2.227 2.545 . 0 0 "[ . 1 . 2]" 1
162 1 6 ALA H 1 7 VAL H . . 4.680 4.432 4.174 4.629 . 0 0 "[ . 1 . 2]" 1
163 1 3 LEU H 1 6 ALA H . . 4.090 3.096 2.410 3.829 . 0 0 "[ . 1 . 2]" 1
164 1 6 ALA H 1 12 VAL QG . . 4.760 4.300 4.056 4.581 . 0 0 "[ . 1 . 2]" 1
165 1 72 ALA H 1 73 PHE H . . 3.800 2.697 2.568 2.802 . 0 0 "[ . 1 . 2]" 1
166 1 71 MET H 1 72 ALA H . . 3.480 2.462 2.385 2.527 . 0 0 "[ . 1 . 2]" 1
167 1 71 MET QB 1 72 ALA H . . 3.680 2.641 2.493 2.879 . 0 0 "[ . 1 . 2]" 1
168 1 38 CYS H 1 80 VAL MG2 . . 5.500 3.859 3.639 4.098 . 0 0 "[ . 1 . 2]" 1
169 1 38 CYS H 1 80 VAL MG1 . . 5.500 4.802 4.564 5.109 . 0 0 "[ . 1 . 2]" 1
170 1 11 ASP H 1 12 VAL H . . 3.320 2.678 2.527 2.843 . 0 0 "[ . 1 . 2]" 1
171 1 8 GLU HB3 1 11 ASP H . . 4.370 3.714 2.369 4.518 0.148 13 0 "[ . 1 . 2]" 1
172 1 8 GLU HB2 1 11 ASP H . . 4.370 3.343 2.828 4.658 0.288 10 0 "[ . 1 . 2]" 1
173 1 9 PHE QB 1 11 ASP H . . 5.490 4.424 4.232 4.798 . 0 0 "[ . 1 . 2]" 1
174 1 29 GLU H 1 30 ASP H . . 4.360 2.774 2.604 2.911 . 0 0 "[ . 1 . 2]" 1
175 1 27 MET QB 1 30 ASP H . . 5.050 2.861 2.672 3.183 . 0 0 "[ . 1 . 2]" 1
176 1 28 GLU HB3 1 30 ASP H . . 5.500 5.236 4.612 5.721 0.221 4 0 "[ . 1 . 2]" 1
177 1 30 ASP H 1 31 ILE HB . . 5.500 4.725 4.429 5.001 . 0 0 "[ . 1 . 2]" 1
178 1 30 ASP H 1 33 GLN QB . . 5.500 4.932 4.551 5.535 0.035 17 0 "[ . 1 . 2]" 1
179 1 39 THR MG 1 40 ASP H . . 4.190 3.573 3.373 3.752 . 0 0 "[ . 1 . 2]" 1
180 1 45 LYS H 1 46 ASP H . . 3.120 2.646 2.586 2.738 . 0 0 "[ . 1 . 2]" 1
181 1 46 ASP H 1 47 LEU H . . 3.990 3.991 3.733 4.164 0.174 5 0 "[ . 1 . 2]" 1
182 1 46 ASP H 1 47 LEU HA . . 4.760 5.010 4.759 5.116 0.356 4 0 "[ . 1 . 2]" 1
183 1 45 LYS HA 1 46 ASP H . . 3.340 3.041 2.776 3.143 . 0 0 "[ . 1 . 2]" 1
184 1 46 ASP H 1 47 LEU HG . . 4.820 4.913 4.623 5.067 0.247 3 0 "[ . 1 . 2]" 1
185 1 46 ASP H 1 47 LEU QD . . 4.190 4.379 4.051 4.734 0.544 9 2 "[ . +1- . 2]" 1
186 1 68 VAL HA 1 71 MET H . . 4.980 3.562 3.256 3.841 . 0 0 "[ . 1 . 2]" 1
187 1 50 LEU HB2 1 51 ASP H . . 3.910 3.660 3.584 3.773 . 0 0 "[ . 1 . 2]" 1
188 1 51 ASP H 1 52 LEU HG . . 4.410 4.658 4.466 4.847 0.437 1 0 "[ . 1 . 2]" 1
189 1 71 MET H 1 72 ALA MB . . 4.470 4.171 4.085 4.231 . 0 0 "[ . 1 . 2]" 1
190 1 50 LEU HB3 1 51 ASP H . . 4.000 2.336 2.194 2.526 . 0 0 "[ . 1 . 2]" 1
191 1 51 ASP H 1 52 LEU QD . . 5.130 4.883 4.712 5.014 . 0 0 "[ . 1 . 2]" 1
192 1 73 PHE HB3 1 74 ASP H . . 4.210 2.574 2.417 2.769 . 0 0 "[ . 1 . 2]" 1
193 1 74 ASP H 1 75 PHE H . . 3.690 2.733 2.630 2.833 . 0 0 "[ . 1 . 2]" 1
194 1 74 ASP H 1 76 ILE H . . 4.700 4.422 4.182 4.585 . 0 0 "[ . 1 . 2]" 1
195 1 54 ILE H 1 55 LYS H . . 3.500 2.746 2.605 2.945 . 0 0 "[ . 1 . 2]" 1
196 1 54 ILE MD 1 55 LYS H . . 4.790 4.780 4.687 4.854 0.064 3 0 "[ . 1 . 2]" 1
197 1 35 VAL MG2 1 80 VAL H . . 4.370 4.425 3.908 4.885 0.515 19 1 "[ . 1 . +2]" 1
198 1 79 ASN HB2 1 80 VAL H . . 4.190 2.649 2.449 2.846 . 0 0 "[ . 1 . 2]" 1
199 1 17 ARG QG 1 18 GLU H . . 4.400 3.248 2.973 3.474 . 0 0 "[ . 1 . 2]" 1
200 1 27 MET QB 1 28 GLU H . . 4.140 2.615 2.062 3.249 . 0 0 "[ . 1 . 2]" 1
201 1 43 GLU H 1 44 GLU H . . 3.420 2.577 2.498 2.636 . 0 0 "[ . 1 . 2]" 1
202 1 42 ILE H 1 43 GLU H . . 3.420 2.569 2.481 2.751 . 0 0 "[ . 1 . 2]" 1
203 1 44 GLU H 1 46 ASP H . . 4.370 3.845 3.620 4.153 . 0 0 "[ . 1 . 2]" 1
204 1 47 LEU H 1 48 GLU H . . 3.290 2.482 2.345 2.582 . 0 0 "[ . 1 . 2]" 1
205 1 47 LEU HB3 1 48 GLU H . . 4.310 4.123 3.728 4.267 . 0 0 "[ . 1 . 2]" 1
206 1 47 LEU HB2 1 48 GLU H . . 3.800 3.329 2.669 3.562 . 0 0 "[ . 1 . 2]" 1
207 1 47 LEU QD 1 48 GLU H . . 4.740 4.363 4.131 4.436 . 0 0 "[ . 1 . 2]" 1
208 1 65 VAL HA 1 66 GLU H . . 3.500 3.108 2.182 3.446 . 0 0 "[ . 1 . 2]" 1
209 1 65 VAL H 1 66 GLU H . . 3.990 2.828 2.343 4.010 0.020 8 0 "[ . 1 . 2]" 1
210 1 7 VAL H 1 8 GLU H . . 3.060 2.300 2.025 2.594 . 0 0 "[ . 1 . 2]" 1
211 1 7 VAL HB 1 8 GLU H . . 3.460 2.499 2.074 3.638 0.178 6 0 "[ . 1 . 2]" 1
212 1 8 GLU H 1 8 GLU HB2 . . 3.890 2.457 2.126 2.640 . 0 0 "[ . 1 . 2]" 1
213 1 68 VAL H 1 68 VAL HB . . 3.850 2.567 2.494 2.676 . 0 0 "[ . 1 . 2]" 1
214 1 8 GLU H 1 8 GLU HB3 . . 3.890 3.527 2.638 3.648 . 0 0 "[ . 1 . 2]" 1
215 1 8 GLU H 1 8 GLU HG2 . . 3.970 3.337 2.031 4.236 0.266 10 0 "[ . 1 . 2]" 1
216 1 7 VAL MG1 1 8 GLU H . . 4.600 3.404 2.830 4.040 . 0 0 "[ . 1 . 2]" 1
217 1 6 ALA MB 1 8 GLU H . . 4.520 4.270 3.862 4.674 0.154 13 0 "[ . 1 . 2]" 1
218 1 73 PHE H 1 74 ASP H . . 3.700 2.748 2.690 2.862 . 0 0 "[ . 1 . 2]" 1
219 1 70 ASN HA 1 73 PHE H . . 4.330 3.578 3.260 4.035 . 0 0 "[ . 1 . 2]" 1
220 1 72 ALA MB 1 73 PHE H . . 3.540 2.428 2.266 2.641 . 0 0 "[ . 1 . 2]" 1
221 1 75 PHE H 1 75 PHE HD2 . . 4.930 4.720 4.577 4.864 . 0 0 "[ . 1 . 2]" 1
222 1 75 PHE H 1 76 ILE H . . 3.690 2.741 2.650 2.864 . 0 0 "[ . 1 . 2]" 1
223 1 4 ALA H 1 5 GLY H . . 3.850 2.690 2.567 2.946 . 0 0 "[ . 1 . 2]" 1
224 1 3 LEU HA 1 5 GLY H . . 4.400 3.690 3.347 4.262 . 0 0 "[ . 1 . 2]" 1
225 1 88 TYR H 1 89 GLY H . . 3.180 2.220 2.038 2.410 . 0 0 "[ . 1 . 2]" 1
226 1 87 THR HB 1 89 GLY H . . 4.680 4.496 4.323 4.706 0.026 6 0 "[ . 1 . 2]" 1
227 1 88 TYR HB2 1 89 GLY H . . 4.540 3.256 2.878 3.779 . 0 0 "[ . 1 . 2]" 1
228 1 88 TYR HB3 1 89 GLY H . . 4.400 4.007 3.721 4.301 . 0 0 "[ . 1 . 2]" 1
229 1 30 ASP H 1 31 ILE H . . 3.880 2.648 2.401 2.877 . 0 0 "[ . 1 . 2]" 1
230 1 31 ILE H 1 32 LEU HG . . 4.340 4.620 4.309 4.914 0.574 4 2 "[ +. 1 . -2]" 1
231 1 42 ILE H 1 44 GLU H . . 4.540 3.839 3.675 3.976 . 0 0 "[ . 1 . 2]" 1
232 1 53 VAL HB 1 54 ILE H . . 3.990 4.026 3.924 4.211 0.221 5 0 "[ . 1 . 2]" 1
233 1 54 ILE H 1 57 MET ME . . 4.480 4.080 3.680 4.669 0.189 5 0 "[ . 1 . 2]" 1
234 1 53 VAL MG1 1 54 ILE H . . 3.440 2.398 2.270 2.743 . 0 0 "[ . 1 . 2]" 1
235 1 51 ASP HA 1 54 ILE H . . 4.140 4.039 3.755 4.287 0.147 1 0 "[ . 1 . 2]" 1
236 1 53 VAL H 1 54 ILE H . . 4.740 2.621 2.499 2.739 . 0 0 "[ . 1 . 2]" 1
237 1 72 ALA HA 1 76 ILE H . . 4.440 4.017 3.773 4.270 . 0 0 "[ . 1 . 2]" 1
238 1 72 ALA MB 1 76 ILE H . . 4.510 4.542 4.354 4.684 0.174 7 0 "[ . 1 . 2]" 1
239 1 75 PHE HB2 1 76 ILE H . . 4.020 3.786 3.675 3.913 . 0 0 "[ . 1 . 2]" 1
240 1 42 ILE MG 1 45 LYS H . . 5.500 4.396 4.164 4.666 . 0 0 "[ . 1 . 2]" 1
241 1 36 LYS H 1 37 TYR QB . . 4.750 4.421 4.289 4.584 . 0 0 "[ . 1 . 2]" 1
242 1 35 VAL H 1 35 VAL MG1 . . 4.320 3.846 3.820 3.876 . 0 0 "[ . 1 . 2]" 1
243 1 35 VAL MG1 1 36 LYS H . . 4.790 3.441 3.230 3.768 . 0 0 "[ . 1 . 2]" 1
244 1 34 VAL HB 1 35 VAL H . . 3.910 2.693 2.557 2.972 . 0 0 "[ . 1 . 2]" 1
245 1 34 VAL HA 1 36 LYS H . . 5.350 4.496 4.326 4.640 . 0 0 "[ . 1 . 2]" 1
246 1 31 ILE HA 1 35 VAL H . . 5.350 4.638 4.394 5.029 . 0 0 "[ . 1 . 2]" 1
247 1 13 LYS H 1 14 THR HB . . 5.500 5.084 4.893 5.212 . 0 0 "[ . 1 . 2]" 1
248 1 43 GLU H 1 45 LYS H . . 4.480 3.829 3.632 4.068 . 0 0 "[ . 1 . 2]" 1
249 1 71 MET HA 1 74 ASP H . . 4.130 3.314 3.054 3.573 . 0 0 "[ . 1 . 2]" 1
250 1 78 ASP H 1 80 VAL HB . . 5.500 5.268 5.085 5.504 0.004 16 0 "[ . 1 . 2]" 1
251 1 78 ASP H 1 81 GLN HB2 . . 5.500 5.191 4.999 5.402 . 0 0 "[ . 1 . 2]" 1
252 1 77 LEU HB2 1 78 ASP H . . 4.390 3.697 3.587 3.820 . 0 0 "[ . 1 . 2]" 1
253 1 48 GLU H 1 49 LYS H . . 3.620 2.613 2.385 2.893 . 0 0 "[ . 1 . 2]" 1
254 1 48 GLU HB2 1 49 LYS H . . 4.200 2.463 2.123 3.874 . 0 0 "[ . 1 . 2]" 1
255 1 48 GLU HB3 1 49 LYS H . . 4.200 3.548 3.285 4.087 . 0 0 "[ . 1 . 2]" 1
256 1 49 LYS H 1 52 LEU QD . . 4.980 4.260 3.843 4.831 . 0 0 "[ . 1 . 2]" 1
257 1 53 VAL H 1 55 LYS H . . 5.130 4.481 4.225 4.779 . 0 0 "[ . 1 . 2]" 1
258 1 52 LEU HA 1 55 LYS H . . 4.290 4.103 3.827 4.413 0.123 12 0 "[ . 1 . 2]" 1
259 1 54 ILE HB 1 55 LYS H . . 3.700 2.549 2.369 2.766 . 0 0 "[ . 1 . 2]" 1
260 1 58 LYS H 1 59 ARG QB . . 4.850 4.706 4.412 5.014 0.164 9 0 "[ . 1 . 2]" 1
261 1 58 LYS H 1 59 ARG H . . 3.680 2.848 2.697 2.993 . 0 0 "[ . 1 . 2]" 1
262 1 58 LYS H 1 60 LEU H . . 4.880 4.179 3.976 4.341 . 0 0 "[ . 1 . 2]" 1
263 1 58 LYS H 1 58 LYS QG . . 4.390 4.007 3.983 4.033 . 0 0 "[ . 1 . 2]" 1
264 1 14 THR HB 1 15 LEU H . . 3.660 2.398 2.254 2.582 . 0 0 "[ . 1 . 2]" 1
265 1 11 ASP HA 1 15 LEU H . . 4.430 3.816 3.404 4.138 . 0 0 "[ . 1 . 2]" 1
266 1 14 THR MG 1 15 LEU H . . 3.970 3.317 3.101 3.617 . 0 0 "[ . 1 . 2]" 1
267 1 12 VAL QG 1 15 LEU H . . 5.500 4.845 4.635 5.023 . 0 0 "[ . 1 . 2]" 1
268 1 3 LEU H 1 5 GLY H . . 4.450 3.732 3.181 4.703 0.253 5 0 "[ . 1 . 2]" 1
269 1 2 ASN HA 1 3 LEU H . . 3.350 2.367 2.153 3.535 0.185 15 0 "[ . 1 . 2]" 1
270 1 2 ASN HB3 1 3 LEU H . . 4.590 3.984 3.596 4.450 . 0 0 "[ . 1 . 2]" 1
271 1 3 LEU H 1 6 ALA MB . . 4.160 3.473 3.059 3.721 . 0 0 "[ . 1 . 2]" 1
272 1 31 ILE H 1 32 LEU H . . 3.840 2.714 2.430 2.851 . 0 0 "[ . 1 . 2]" 1
273 1 32 LEU H 1 33 GLN H . . 3.930 2.639 2.559 2.746 . 0 0 "[ . 1 . 2]" 1
274 1 30 ASP H 1 32 LEU H . . 4.790 4.116 3.822 4.317 . 0 0 "[ . 1 . 2]" 1
275 1 31 ILE MG 1 32 LEU H . . 3.900 3.374 3.227 3.536 . 0 0 "[ . 1 . 2]" 1
276 1 31 ILE QG 1 32 LEU H . . 4.670 4.098 4.016 4.172 . 0 0 "[ . 1 . 2]" 1
277 1 32 LEU H 1 35 VAL MG2 . . 5.140 4.363 4.046 4.642 . 0 0 "[ . 1 . 2]" 1
278 1 32 LEU H 1 32 LEU HB2 . . 3.770 2.460 2.407 2.533 . 0 0 "[ . 1 . 2]" 1
279 1 31 ILE HB 1 32 LEU H . . 3.750 2.622 2.473 2.770 . 0 0 "[ . 1 . 2]" 1
280 1 47 LEU H 1 47 LEU HB2 . . 3.860 2.457 2.334 2.543 . 0 0 "[ . 1 . 2]" 1
281 1 50 LEU H 1 51 ASP H . . 3.570 2.743 2.656 2.818 . 0 0 "[ . 1 . 2]" 1
282 1 51 ASP H 1 52 LEU H . . 3.450 2.866 2.730 3.083 . 0 0 "[ . 1 . 2]" 1
283 1 13 LYS H 1 14 THR H . . 3.620 2.824 2.685 2.896 . 0 0 "[ . 1 . 2]" 1
284 1 52 LEU H 1 53 VAL H . . 3.550 2.862 2.764 2.959 . 0 0 "[ . 1 . 2]" 1
285 1 11 ASP H 1 14 THR H . . 5.240 4.795 4.643 4.918 . 0 0 "[ . 1 . 2]" 1
286 1 11 ASP HA 1 14 THR H . . 3.840 3.670 3.416 4.172 0.332 13 0 "[ . 1 . 2]" 1
287 1 51 ASP QB 1 52 LEU H . . 3.260 2.388 2.208 2.656 . 0 0 "[ . 1 . 2]" 1
288 1 52 LEU H 1 53 VAL HB . . 5.040 5.247 5.109 5.425 0.385 4 0 "[ . 1 . 2]" 1
289 1 14 THR H 1 15 LEU HB2 . . 4.480 4.880 4.657 5.014 0.534 7 4 "[ . + 1 * . - *]" 1
290 1 13 LYS HB3 1 14 THR H . . 4.190 3.582 3.403 4.011 . 0 0 "[ . 1 . 2]" 1
291 1 60 LEU H 1 61 MET H . . 3.750 2.575 2.491 2.718 . 0 0 "[ . 1 . 2]" 1
292 1 60 LEU H 1 62 GLN H . . 4.370 3.891 3.673 4.028 . 0 0 "[ . 1 . 2]" 1
293 1 59 ARG QB 1 60 LEU H . . 3.620 2.647 2.337 2.935 . 0 0 "[ . 1 . 2]" 1
294 1 58 LYS QB 1 60 LEU H . . 5.500 4.676 4.523 4.896 . 0 0 "[ . 1 . 2]" 1
295 1 56 TYR HA 1 60 LEU H . . 4.760 4.314 4.087 4.541 . 0 0 "[ . 1 . 2]" 1
296 1 73 PHE HA 1 77 LEU H . . 4.420 3.622 3.487 3.792 . 0 0 "[ . 1 . 2]" 1
297 1 76 ILE HG13 1 77 LEU H . . 4.380 4.252 4.172 4.356 . 0 0 "[ . 1 . 2]" 1
298 1 76 ILE HB 1 77 LEU H . . 3.640 2.344 2.262 2.461 . 0 0 "[ . 1 . 2]" 1
299 1 77 LEU H 1 78 ASP H . . 3.460 2.815 2.674 2.946 . 0 0 "[ . 1 . 2]" 1
300 1 35 VAL MG2 1 77 LEU H . . 5.260 4.907 4.797 5.052 . 0 0 "[ . 1 . 2]" 1
301 1 76 ILE MD 1 77 LEU H . . 5.460 4.395 4.277 4.478 . 0 0 "[ . 1 . 2]" 1
302 1 84 LEU H 1 85 GLN H . . 3.440 2.693 2.611 2.762 . 0 0 "[ . 1 . 2]" 1
303 1 84 LEU H 1 86 GLN H . . 4.420 3.997 3.882 4.167 . 0 0 "[ . 1 . 2]" 1
304 1 83 VAL H 1 84 LEU H . . 3.360 2.702 2.627 2.812 . 0 0 "[ . 1 . 2]" 1
305 1 81 GLN HA 1 84 LEU H . . 3.950 3.339 3.098 3.680 . 0 0 "[ . 1 . 2]" 1
306 1 80 VAL HA 1 84 LEU H . . 4.850 4.307 4.147 4.508 . 0 0 "[ . 1 . 2]" 1
307 1 83 VAL HB 1 84 LEU H . . 3.430 2.706 2.540 2.882 . 0 0 "[ . 1 . 2]" 1
308 1 83 VAL MG1 1 84 LEU H . . 4.080 3.499 3.351 3.648 . 0 0 "[ . 1 . 2]" 1
309 1 91 THR MG 1 92 LEU H . . 4.510 3.676 3.482 3.822 . 0 0 "[ . 1 . 2]" 1
310 1 55 LYS H 1 57 MET H . . 4.550 4.343 4.121 4.520 . 0 0 "[ . 1 . 2]" 1
311 1 56 TYR HB3 1 57 MET H . . 4.150 2.567 2.316 2.858 . 0 0 "[ . 1 . 2]" 1
312 1 56 TYR HB2 1 57 MET H . . 4.150 3.704 3.512 3.935 . 0 0 "[ . 1 . 2]" 1
313 1 54 ILE MD 1 57 MET H . . 5.500 5.467 5.272 5.688 0.188 15 0 "[ . 1 . 2]" 1
314 1 53 VAL MG2 1 57 MET H . . 4.950 4.049 3.694 4.254 . 0 0 "[ . 1 . 2]" 1
315 1 53 VAL MG1 1 57 MET H . . 5.500 5.027 4.835 5.164 . 0 0 "[ . 1 . 2]" 1
316 1 57 MET H 1 58 LYS QB . . 4.680 4.427 4.287 4.531 . 0 0 "[ . 1 . 2]" 1
317 1 61 MET H 1 61 MET HB2 . . 3.790 2.500 2.405 2.629 . 0 0 "[ . 1 . 2]" 1
318 1 60 LEU QB 1 61 MET H . . 3.970 2.525 2.328 2.721 . 0 0 "[ . 1 . 2]" 1
319 1 20 ILE MD 1 61 MET H . . 4.340 3.541 3.294 3.812 . 0 0 "[ . 1 . 2]" 1
320 1 20 ILE MG 1 61 MET H . . 4.490 3.366 3.077 3.653 . 0 0 "[ . 1 . 2]" 1
321 1 60 LEU MD1 1 61 MET H . . 4.530 4.449 4.209 4.672 0.142 1 0 "[ . 1 . 2]" 1
322 1 51 ASP H 1 54 ILE HG12 . . 5.500 5.239 4.626 5.775 0.275 3 0 "[ . 1 . 2]" 1
323 1 9 PHE QB 1 10 ASN H . . 4.190 2.281 2.108 2.775 . 0 0 "[ . 1 . 2]" 1
324 1 8 GLU HB3 1 10 ASN H . . 4.710 3.667 2.866 4.027 . 0 0 "[ . 1 . 2]" 1
325 1 8 GLU HB2 1 10 ASN H . . 4.710 4.282 3.511 5.173 0.463 10 0 "[ . 1 . 2]" 1
326 1 8 GLU HA 1 10 ASN H . . 4.570 4.852 4.333 5.087 0.517 18 1 "[ . 1 . + 2]" 1
327 1 70 ASN H 1 71 MET QB . . 4.950 4.532 4.382 4.692 . 0 0 "[ . 1 . 2]" 1
328 1 78 ASP H 1 79 ASN H . . 3.490 2.954 2.804 3.053 . 0 0 "[ . 1 . 2]" 1
329 1 79 ASN H 1 80 VAL H . . 3.670 2.753 2.678 2.851 . 0 0 "[ . 1 . 2]" 1
330 1 35 VAL MG2 1 79 ASN H . . 4.770 4.572 4.194 4.875 0.105 2 0 "[ . 1 . 2]" 1
331 1 35 VAL MG1 1 79 ASN H . . 5.020 4.419 3.944 4.716 . 0 0 "[ . 1 . 2]" 1
332 1 30 ASP HA 1 33 GLN H . . 4.490 3.385 2.692 4.073 . 0 0 "[ . 1 . 2]" 1
333 1 32 LEU HB3 1 33 GLN H . . 4.450 3.712 3.454 3.906 . 0 0 "[ . 1 . 2]" 1
334 1 32 LEU HG 1 33 GLN H . . 4.860 4.516 4.415 4.737 . 0 0 "[ . 1 . 2]" 1
335 1 31 ILE MG 1 33 GLN H . . 5.050 5.078 4.866 5.255 0.205 7 0 "[ . 1 . 2]" 1
336 1 58 LYS HA 1 62 GLN H . . 4.870 4.137 3.788 4.383 . 0 0 "[ . 1 . 2]" 1
337 1 62 GLN H 1 63 GLN H . . 3.410 2.291 2.202 2.369 . 0 0 "[ . 1 . 2]" 1
338 1 61 MET H 1 62 GLN H . . 3.690 2.529 2.371 2.701 . 0 0 "[ . 1 . 2]" 1
339 1 62 GLN QG 1 63 GLN H . . 4.590 4.256 4.064 4.436 . 0 0 "[ . 1 . 2]" 1
340 1 80 VAL H 1 81 GLN H . . 3.620 2.697 2.561 2.763 . 0 0 "[ . 1 . 2]" 1
341 1 80 VAL MG1 1 81 GLN H . . 3.940 3.360 3.148 3.538 . 0 0 "[ . 1 . 2]" 1
342 1 78 ASP HA 1 81 GLN H . . 4.540 3.948 3.654 4.335 . 0 0 "[ . 1 . 2]" 1
343 1 84 LEU MD1 1 85 GLN H . . 5.500 4.703 4.489 4.870 . 0 0 "[ . 1 . 2]" 1
344 1 84 LEU MD2 1 85 GLN H . . 5.500 4.376 4.003 4.792 . 0 0 "[ . 1 . 2]" 1
345 1 17 ARG H 1 18 GLU H . . 3.620 2.771 2.712 2.838 . 0 0 "[ . 1 . 2]" 1
346 1 17 ARG H 1 56 TYR HE2 . . 4.830 3.784 3.025 4.316 . 0 0 "[ . 1 . 2]" 1
347 1 15 LEU HB3 1 17 ARG H . . 5.260 5.452 4.861 5.710 0.450 20 0 "[ . 1 . 2]" 1
348 1 17 ARG H 1 60 LEU MD2 . . 4.530 4.693 4.323 5.041 0.511 2 1 "[ + . 1 . 2]" 1
349 1 59 ARG H 1 60 LEU H . . 3.830 2.809 2.728 2.926 . 0 0 "[ . 1 . 2]" 1
350 1 63 GLN QB 1 64 SER H . . 4.810 2.471 2.143 2.934 . 0 0 "[ . 1 . 2]" 1
351 1 58 LYS QB 1 62 GLN H . . 5.460 5.432 5.319 5.615 0.155 7 0 "[ . 1 . 2]" 1
352 1 89 GLY H 1 90 SER H . . 4.180 3.127 2.619 3.553 . 0 0 "[ . 1 . 2]" 1
353 1 20 ILE HB 1 21 THR H . . 4.390 2.889 2.723 3.068 . 0 0 "[ . 1 . 2]" 1
354 1 22 THR H 1 23 ILE HB . . 5.290 4.429 4.107 4.785 . 0 0 "[ . 1 . 2]" 1
355 1 21 THR MG 1 22 THR H . . 4.220 4.169 4.009 4.313 0.093 2 0 "[ . 1 . 2]" 1
356 1 38 CYS H 1 39 THR H . . 3.700 2.623 2.588 2.689 . 0 0 "[ . 1 . 2]" 1
357 1 37 TYR H 1 39 THR H . . 4.470 3.862 3.700 4.194 . 0 0 "[ . 1 . 2]" 1
358 1 39 THR H 1 39 THR HB . . 3.850 2.457 2.411 2.527 . 0 0 "[ . 1 . 2]" 1
359 1 36 LYS HA 1 39 THR H . . 4.170 3.652 3.344 3.931 . 0 0 "[ . 1 . 2]" 1
360 1 38 CYS HB3 1 39 THR H . . 3.800 4.044 3.759 4.126 0.326 13 0 "[ . 1 . 2]" 1
361 1 35 VAL MG1 1 39 THR H . . 4.290 4.324 4.146 4.623 0.333 17 0 "[ . 1 . 2]" 1
362 1 39 THR H 1 42 ILE MD . . 4.670 4.448 4.127 4.659 . 0 0 "[ . 1 . 2]" 1
363 1 38 CYS HB2 1 39 THR H . . 3.840 3.087 2.751 3.228 . 0 0 "[ . 1 . 2]" 1
364 1 91 THR H 1 92 LEU H . . 4.730 4.519 4.400 4.609 . 0 0 "[ . 1 . 2]" 1
365 1 34 VAL H 1 35 VAL H . . 3.540 2.603 2.528 2.711 . 0 0 "[ . 1 . 2]" 1
366 1 34 VAL H 1 34 VAL MG1 . . 4.040 3.840 3.807 3.866 . 0 0 "[ . 1 . 2]" 1
367 1 94 VAL QG 1 95 THR H . . 3.960 3.502 2.781 3.808 . 0 0 "[ . 1 . 2]" 1
368 1 33 GLN QB 1 34 VAL H . . 3.810 2.724 2.323 3.027 . 0 0 "[ . 1 . 2]" 1
369 1 33 GLN HG2 1 34 VAL H . . 5.500 5.106 3.987 5.505 0.005 7 0 "[ . 1 . 2]" 1
370 1 34 VAL H 1 35 VAL HB . . 5.500 4.851 4.707 5.074 . 0 0 "[ . 1 . 2]" 1
371 1 34 VAL H 1 34 VAL HB . . 3.490 2.676 2.564 2.856 . 0 0 "[ . 1 . 2]" 1
372 1 12 VAL H 1 13 LYS H . . 3.790 2.709 2.579 2.842 . 0 0 "[ . 1 . 2]" 1
373 1 9 PHE HA 1 12 VAL H . . 4.160 3.885 3.564 4.155 . 0 0 "[ . 1 . 2]" 1
374 1 11 ASP QB 1 12 VAL H . . 3.650 2.545 2.224 2.752 . 0 0 "[ . 1 . 2]" 1
375 1 6 ALA MB 1 12 VAL H . . 3.920 3.063 2.839 3.293 . 0 0 "[ . 1 . 2]" 1
376 1 12 VAL H 1 14 THR H . . 4.720 4.276 4.085 4.472 . 0 0 "[ . 1 . 2]" 1
377 1 12 VAL H 1 15 LEU H . . 5.310 4.923 4.827 5.017 . 0 0 "[ . 1 . 2]" 1
378 1 52 LEU HB3 1 53 VAL H . . 4.720 3.504 3.289 3.646 . 0 0 "[ . 1 . 2]" 1
379 1 52 LEU QD 1 53 VAL H . . 4.690 4.076 3.974 4.155 . 0 0 "[ . 1 . 2]" 1
380 1 65 VAL MG1 1 66 GLU H . . 4.270 3.673 2.652 4.416 0.146 20 0 "[ . 1 . 2]" 1
381 1 6 ALA MB 1 7 VAL H . . 3.690 3.163 2.612 3.388 . 0 0 "[ . 1 . 2]" 1
382 1 7 VAL H 1 7 VAL HB . . 3.510 2.785 2.495 3.806 0.296 9 0 "[ . 1 . 2]" 1
383 1 81 GLN H 1 82 VAL H . . 3.520 2.630 2.513 2.746 . 0 0 "[ . 1 . 2]" 1
384 1 82 VAL H 1 85 GLN QG . . 5.200 4.720 4.483 4.870 . 0 0 "[ . 1 . 2]" 1
385 1 82 VAL H 1 83 VAL H . . 3.480 2.728 2.656 2.819 . 0 0 "[ . 1 . 2]" 1
386 1 39 THR MG 1 83 VAL H . . 5.180 5.349 4.514 5.757 0.577 4 1 "[ +. 1 . 2]" 1
387 1 93 LYS HA 1 94 VAL H . . 3.560 3.246 2.180 3.543 . 0 0 "[ . 1 . 2]" 1
388 1 94 VAL H 1 95 THR H . . 4.330 4.126 2.485 4.639 0.309 5 0 "[ . 1 . 2]" 1
389 1 92 LEU QB 1 94 VAL H . . 4.580 2.976 2.381 4.085 . 0 0 "[ . 1 . 2]" 1
390 1 93 LYS HB3 1 94 VAL H . . 4.870 4.204 2.887 4.679 . 0 0 "[ . 1 . 2]" 1
391 1 93 LYS HB2 1 94 VAL H . . 4.870 4.141 3.595 4.566 . 0 0 "[ . 1 . 2]" 1
392 1 17 ARG H 1 19 TRP H . . 4.730 3.946 3.721 4.253 . 0 0 "[ . 1 . 2]" 1
393 1 66 GLU HA 1 67 SER H . . 3.480 2.169 2.091 2.264 . 0 0 "[ . 1 . 2]" 1
394 1 85 GLN H 1 86 GLN H . . 3.340 2.568 2.473 2.731 . 0 0 "[ . 1 . 2]" 1
395 1 87 THR H 1 88 TYR H . . 3.330 2.546 2.379 2.653 . 0 0 "[ . 1 . 2]" 1
396 1 86 GLN HB3 1 87 THR H . . 4.470 3.912 3.669 4.117 . 0 0 "[ . 1 . 2]" 1
397 1 86 GLN HB2 1 87 THR H . . 3.990 2.900 2.552 3.216 . 0 0 "[ . 1 . 2]" 1
398 1 86 GLN HG2 1 87 THR H . . 4.510 4.380 3.984 4.608 0.098 9 0 "[ . 1 . 2]" 1
399 1 86 GLN HG3 1 87 THR H . . 5.490 5.174 4.850 5.436 . 0 0 "[ . 1 . 2]" 1
400 1 18 GLU H 1 19 TRP H . . 3.720 2.677 2.606 2.810 . 0 0 "[ . 1 . 2]" 1
401 1 48 GLU H 1 50 LEU H . . 4.470 3.725 3.557 4.062 . 0 0 "[ . 1 . 2]" 1
402 1 49 LYS HB2 1 50 LEU H . . 4.160 3.564 2.826 4.201 0.041 14 0 "[ . 1 . 2]" 1
403 1 49 LYS HB3 1 50 LEU H . . 4.160 3.001 2.465 3.598 . 0 0 "[ . 1 . 2]" 1
404 1 27 MET H 1 27 MET ME . . 4.780 4.825 4.774 4.969 0.189 19 0 "[ . 1 . 2]" 1
405 1 37 TYR H 1 38 CYS H . . 3.570 2.644 2.521 2.795 . 0 0 "[ . 1 . 2]" 1
406 1 36 LYS H 1 37 TYR H . . 3.630 2.683 2.594 2.874 . 0 0 "[ . 1 . 2]" 1
407 1 34 VAL HA 1 37 TYR H . . 3.980 3.520 3.204 3.814 . 0 0 "[ . 1 . 2]" 1
408 1 36 LYS HB2 1 37 TYR H . . 4.080 2.768 2.402 3.123 . 0 0 "[ . 1 . 2]" 1
409 1 36 LYS HB3 1 37 TYR H . . 4.080 3.693 3.100 3.996 . 0 0 "[ . 1 . 2]" 1
410 1 36 LYS QG 1 37 TYR H . . 4.420 4.189 3.965 4.385 . 0 0 "[ . 1 . 2]" 1
411 1 34 VAL MG2 1 37 TYR H . . 5.500 5.339 5.088 5.562 0.062 4 0 "[ . 1 . 2]" 1
412 1 31 ILE MG 1 75 PHE H . . 5.500 5.067 4.598 5.684 0.184 10 0 "[ . 1 . 2]" 1
413 1 34 VAL MG1 1 37 TYR H . . 5.500 4.829 4.610 5.060 . 0 0 "[ . 1 . 2]" 1
414 1 55 LYS H 1 56 TYR H . . 3.650 2.614 2.549 2.667 . 0 0 "[ . 1 . 2]" 1
415 1 56 TYR H 1 57 MET H . . 3.670 2.567 2.453 2.700 . 0 0 "[ . 1 . 2]" 1
416 1 55 LYS HB2 1 56 TYR H . . 4.490 3.991 3.900 4.097 . 0 0 "[ . 1 . 2]" 1
417 1 55 LYS HB3 1 56 TYR H . . 4.900 3.980 3.846 4.147 . 0 0 "[ . 1 . 2]" 1
418 1 85 GLN HA 1 88 TYR H . . 4.600 4.023 3.594 4.498 . 0 0 "[ . 1 . 2]" 1
419 1 37 TYR QB 1 37 TYR HE2 . . 4.590 4.415 4.382 4.442 . 0 0 "[ . 1 . 2]" 1
420 1 37 TYR HA 1 37 TYR QD . . 4.000 2.624 2.459 2.806 . 0 0 "[ . 1 . 2]" 1
421 1 37 TYR H 1 37 TYR QD . . 5.060 4.243 4.218 4.287 . 0 0 "[ . 1 . 2]" 1
422 1 88 TYR HB2 1 88 TYR QE . . 4.950 4.466 4.440 4.487 . 0 0 "[ . 1 . 2]" 1
423 1 88 TYR H 1 88 TYR QE . . 5.150 4.820 4.561 5.136 . 0 0 "[ . 1 . 2]" 1
424 1 88 TYR HB2 1 88 TYR QD . . 3.480 2.453 2.407 2.521 . 0 0 "[ . 1 . 2]" 1
425 1 88 TYR H 1 88 TYR QD . . 4.150 2.739 2.530 3.027 . 0 0 "[ . 1 . 2]" 1
426 1 37 TYR HE2 1 53 VAL HB . . 4.530 3.465 2.636 4.406 . 0 0 "[ . 1 . 2]" 1
427 1 17 ARG HB2 1 56 TYR HE2 . . 3.870 2.315 1.874 2.818 . 0 0 "[ . 1 . 2]" 1
428 1 17 ARG HB3 1 56 TYR HE2 . . 4.760 3.733 3.301 4.253 . 0 0 "[ . 1 . 2]" 1
429 1 13 LYS HB3 1 56 TYR HE2 . . 4.080 2.938 2.227 4.365 0.285 13 0 "[ . 1 . 2]" 1
430 1 56 TYR HE2 1 60 LEU MD2 . . 3.720 3.355 2.718 3.881 0.161 2 0 "[ . 1 . 2]" 1
431 1 56 TYR HE2 1 60 LEU MD1 . . 3.330 2.487 2.183 2.932 . 0 0 "[ . 1 . 2]" 1
432 1 45 LYS HA 1 88 TYR QE . . 4.060 3.377 2.589 3.801 . 0 0 "[ . 1 . 2]" 1
433 1 42 ILE QG 1 88 TYR QE . . 5.500 4.100 3.231 4.823 . 0 0 "[ . 1 . 2]" 1
434 1 47 LEU HG 1 88 TYR QE . . 3.920 3.571 3.103 4.186 0.266 5 0 "[ . 1 . 2]" 1
435 1 42 ILE MG 1 88 TYR QE . . 3.480 2.227 1.648 3.178 . 0 0 "[ . 1 . 2]" 1
436 1 87 THR MG 1 88 TYR QE . . 2.950 2.716 2.606 2.880 . 0 0 "[ . 1 . 2]" 1
437 1 87 THR MG 1 88 TYR QD . . 3.880 2.924 2.673 3.343 . 0 0 "[ . 1 . 2]" 1
438 1 92 LEU HA 1 92 LEU QB . . 2.570 2.472 2.368 2.551 . 0 0 "[ . 1 . 2]" 1
439 1 34 VAL HA 1 34 VAL MG1 . . 3.370 2.401 2.327 2.479 . 0 0 "[ . 1 . 2]" 1
440 1 39 THR HB 1 40 ASP H . . 4.540 2.792 2.635 2.960 . 0 0 "[ . 1 . 2]" 1
441 1 44 GLU HA 1 45 LYS H . . 3.490 3.275 3.180 3.385 . 0 0 "[ . 1 . 2]" 1
442 1 44 GLU HA 1 44 GLU HG3 . . 3.380 3.301 3.043 3.755 0.375 16 0 "[ . 1 . 2]" 1
443 1 44 GLU HA 1 44 GLU HG2 . . 3.380 2.699 2.452 3.176 . 0 0 "[ . 1 . 2]" 1
444 1 61 MET HB3 1 62 GLN QG . . 5.500 4.645 4.262 4.872 . 0 0 "[ . 1 . 2]" 1
445 1 87 THR HA 1 87 THR MG . . 2.590 2.408 2.359 2.464 . 0 0 "[ . 1 . 2]" 1
446 1 79 ASN HA 1 79 ASN HB3 . . 2.890 2.573 2.529 2.637 . 0 0 "[ . 1 . 2]" 1
447 1 79 ASN HA 1 79 ASN HD21 . . 4.170 3.292 2.441 3.991 . 0 0 "[ . 1 . 2]" 1
448 1 79 ASN HA 1 79 ASN HD22 . . 4.170 4.060 3.689 4.410 0.240 11 0 "[ . 1 . 2]" 1
449 1 55 LYS HA 1 55 LYS QE . . 5.500 4.392 4.224 5.306 . 0 0 "[ . 1 . 2]" 1
450 1 55 LYS HA 1 55 LYS HG2 . . 3.860 3.807 3.710 3.919 0.059 20 0 "[ . 1 . 2]" 1
451 1 7 VAL HA 1 7 VAL MG1 . . 3.330 2.437 2.289 2.546 . 0 0 "[ . 1 . 2]" 1
452 1 7 VAL HA 1 7 VAL MG2 . . 3.330 2.607 2.384 3.279 . 0 0 "[ . 1 . 2]" 1
453 1 33 GLN HG3 1 34 VAL H . . 5.500 4.823 4.441 5.395 . 0 0 "[ . 1 . 2]" 1
454 1 65 VAL HA 1 65 VAL HB . . 2.770 2.490 2.404 2.541 . 0 0 "[ . 1 . 2]" 1
455 1 65 VAL HA 1 65 VAL MG2 . . 3.260 2.698 2.344 3.288 0.028 20 0 "[ . 1 . 2]" 1
456 1 3 LEU HA 1 4 ALA H . . 3.490 2.158 2.097 2.223 . 0 0 "[ . 1 . 2]" 1
457 1 35 VAL MG2 1 76 ILE HA . . 2.790 1.863 1.752 2.177 . 0 0 "[ . 1 . 2]" 1
458 1 76 ILE HA 1 76 ILE HG13 . . 3.320 2.953 2.869 3.037 . 0 0 "[ . 1 . 2]" 1
459 1 76 ILE HA 1 76 ILE HG12 . . 3.150 2.646 2.612 2.708 . 0 0 "[ . 1 . 2]" 1
460 1 76 ILE HA 1 76 ILE MG . . 2.980 2.535 2.495 2.580 . 0 0 "[ . 1 . 2]" 1
461 1 39 THR MG 1 40 ASP HA . . 4.380 3.561 3.419 3.737 . 0 0 "[ . 1 . 2]" 1
462 1 85 GLN HA 1 85 GLN QG . . 2.850 2.546 2.407 2.923 0.073 19 0 "[ . 1 . 2]" 1
463 1 86 GLN HA 1 86 GLN HB3 . . 2.760 2.486 2.406 2.531 . 0 0 "[ . 1 . 2]" 1
464 1 86 GLN HA 1 86 GLN HG2 . . 3.030 3.222 3.097 3.455 0.425 12 0 "[ . 1 . 2]" 1
465 1 82 VAL HA 1 82 VAL MG1 . . 2.920 2.532 2.475 2.643 . 0 0 "[ . 1 . 2]" 1
466 1 83 VAL HA 1 83 VAL MG2 . . 3.320 2.437 2.399 2.478 . 0 0 "[ . 1 . 2]" 1
467 1 46 ASP HA 1 48 GLU H . . 3.620 3.260 3.127 3.905 0.285 5 0 "[ . 1 . 2]" 1
468 1 14 THR HA 1 15 LEU HB2 . . 5.500 5.849 5.708 6.008 0.508 20 1 "[ . 1 . +]" 1
469 1 36 LYS HA 1 36 LYS HD3 . . 3.840 2.674 1.948 3.858 0.018 4 0 "[ . 1 . 2]" 1
470 1 36 LYS HA 1 36 LYS QG . . 3.150 2.968 2.799 3.123 . 0 0 "[ . 1 . 2]" 1
471 1 36 LYS HA 1 36 LYS HD2 . . 3.840 2.741 2.070 3.258 . 0 0 "[ . 1 . 2]" 1
472 1 62 GLN HA 1 62 GLN QG . . 3.380 3.058 2.967 3.150 . 0 0 "[ . 1 . 2]" 1
473 1 62 GLN HA 1 62 GLN HE21 . . 4.180 2.710 2.504 3.016 . 0 0 "[ . 1 . 2]" 1
474 1 14 THR HA 1 14 THR MG . . 3.100 2.457 2.405 2.567 . 0 0 "[ . 1 . 2]" 1
475 1 34 VAL HA 1 34 VAL MG2 . . 3.370 2.523 2.439 2.633 . 0 0 "[ . 1 . 2]" 1
476 1 93 LYS H 1 93 LYS QE . . 4.680 4.107 2.300 5.069 0.389 11 0 "[ . 1 . 2]" 1
477 1 73 PHE HA 1 73 PHE HD1 . . 3.100 2.484 2.324 2.607 . 0 0 "[ . 1 . 2]" 1
478 1 47 LEU HA 1 50 LEU H . . 3.710 3.036 2.693 3.451 . 0 0 "[ . 1 . 2]" 1
479 1 47 LEU HA 1 47 LEU HG . . 3.600 3.184 3.015 3.320 . 0 0 "[ . 1 . 2]" 1
480 1 61 MET HB2 1 62 GLN QG . . 5.500 3.668 3.289 4.002 . 0 0 "[ . 1 . 2]" 1
481 1 60 LEU HA 1 60 LEU MD1 . . 4.030 3.952 3.897 3.990 . 0 0 "[ . 1 . 2]" 1
482 1 60 LEU HA 1 60 LEU MD2 . . 2.800 2.168 2.072 2.242 . 0 0 "[ . 1 . 2]" 1
483 1 60 LEU HA 1 63 GLN H . . 3.970 3.333 3.158 3.455 . 0 0 "[ . 1 . 2]" 1
484 1 60 LEU HA 1 60 LEU HG . . 3.540 3.199 3.103 3.355 . 0 0 "[ . 1 . 2]" 1
485 1 95 THR HA 1 95 THR MG . . 3.210 2.902 2.266 3.285 0.075 3 0 "[ . 1 . 2]" 1
486 1 8 GLU HA 1 9 PHE QB . . 5.500 4.761 4.563 4.907 . 0 0 "[ . 1 . 2]" 1
487 1 72 ALA HA 1 75 PHE H . . 3.900 3.648 3.429 3.893 . 0 0 "[ . 1 . 2]" 1
488 1 50 LEU HA 1 53 VAL MG1 . . 2.850 2.060 1.834 2.251 . 0 0 "[ . 1 . 2]" 1
489 1 22 THR H 1 22 THR HB . . 3.980 3.627 2.628 3.793 . 0 0 "[ . 1 . 2]" 1
490 1 63 GLN HA 1 63 GLN QG . . 2.880 2.684 2.384 3.091 0.211 12 0 "[ . 1 . 2]" 1
491 1 63 GLN HA 1 63 GLN QB . . 2.620 2.395 2.331 2.472 . 0 0 "[ . 1 . 2]" 1
492 1 59 ARG QB 1 60 LEU QB . . 5.240 4.441 4.233 4.682 . 0 0 "[ . 1 . 2]" 1
493 1 55 LYS HB3 1 55 LYS QE . . 4.820 2.356 1.929 3.182 . 0 0 "[ . 1 . 2]" 1
494 1 80 VAL HA 1 83 VAL H . . 3.950 3.633 3.195 3.806 . 0 0 "[ . 1 . 2]" 1
495 1 80 VAL HA 1 80 VAL MG1 . . 2.910 2.540 2.485 2.571 . 0 0 "[ . 1 . 2]" 1
496 1 80 VAL HA 1 80 VAL MG2 . . 2.910 2.383 2.359 2.438 . 0 0 "[ . 1 . 2]" 1
497 1 48 GLU HA 1 48 GLU HG3 . . 3.910 3.546 2.564 4.304 0.394 5 0 "[ . 1 . 2]" 1
498 1 17 ARG HD2 1 60 LEU QB . . 5.500 5.692 5.481 5.780 0.280 17 0 "[ . 1 . 2]" 1
499 1 17 ARG H 1 17 ARG HD2 . . 5.500 5.106 4.968 5.361 . 0 0 "[ . 1 . 2]" 1
500 1 17 ARG HA 1 17 ARG HD2 . . 5.060 4.283 4.147 4.424 . 0 0 "[ . 1 . 2]" 1
501 1 9 PHE HA 1 9 PHE QD . . 2.920 2.766 2.176 3.186 0.266 9 0 "[ . 1 . 2]" 1
502 1 92 LEU HA 1 92 LEU MD1 . . 3.260 2.178 2.023 3.132 . 0 0 "[ . 1 . 2]" 1
503 1 88 TYR HA 1 88 TYR QD . . 3.570 2.954 2.838 3.102 . 0 0 "[ . 1 . 2]" 1
504 1 27 MET HA 1 27 MET HG2 . . 3.680 2.540 2.456 2.601 . 0 0 "[ . 1 . 2]" 1
505 1 27 MET HA 1 27 MET ME . . 3.320 3.637 3.545 3.732 0.412 20 0 "[ . 1 . 2]" 1
506 1 27 MET HA 1 27 MET HG3 . . 3.680 3.318 3.243 3.429 . 0 0 "[ . 1 . 2]" 1
507 1 61 MET HA 1 62 GLN QG . . 5.420 5.286 5.175 5.415 . 0 0 "[ . 1 . 2]" 1
508 1 59 ARG HA 1 59 ARG HG2 . . 3.410 2.752 2.454 3.310 . 0 0 "[ . 1 . 2]" 1
509 1 59 ARG HA 1 59 ARG QB . . 2.690 2.401 2.353 2.444 . 0 0 "[ . 1 . 2]" 1
510 1 59 ARG HA 1 59 ARG HD3 . . 5.480 4.666 4.304 4.962 . 0 0 "[ . 1 . 2]" 1
511 1 59 ARG HA 1 59 ARG HG3 . . 3.410 2.933 2.531 3.250 . 0 0 "[ . 1 . 2]" 1
512 1 52 LEU HA 1 52 LEU QD . . 2.810 2.059 2.031 2.114 . 0 0 "[ . 1 . 2]" 1
513 1 52 LEU HA 1 55 LYS HG2 . . 3.220 2.635 2.223 3.697 0.477 7 0 "[ . 1 . 2]" 1
514 1 52 LEU HA 1 55 LYS HG3 . . 3.600 3.764 3.447 4.513 0.913 7 2 "[ . + - . 2]" 1
515 1 68 VAL HA 1 68 VAL HB . . 2.770 2.470 2.443 2.503 . 0 0 "[ . 1 . 2]" 1
516 1 35 VAL HA 1 38 CYS H . . 3.900 3.892 3.614 4.059 0.159 13 0 "[ . 1 . 2]" 1
517 1 35 VAL HA 1 35 VAL MG1 . . 2.930 2.458 2.393 2.511 . 0 0 "[ . 1 . 2]" 1
518 1 35 VAL HA 1 35 VAL MG2 . . 2.860 2.483 2.436 2.541 . 0 0 "[ . 1 . 2]" 1
519 1 14 THR H 1 14 THR HB . . 3.250 2.557 2.401 2.662 . 0 0 "[ . 1 . 2]" 1
520 1 70 ASN HA 1 73 PHE HB2 . . 4.020 3.593 3.064 4.161 0.141 13 0 "[ . 1 . 2]" 1
521 1 21 THR HA 1 21 THR MG . . 3.120 2.380 2.352 2.416 . 0 0 "[ . 1 . 2]" 1
522 1 53 VAL HA 1 53 VAL MG2 . . 3.100 2.330 2.309 2.357 . 0 0 "[ . 1 . 2]" 1
523 1 51 ASP HA 1 51 ASP QB . . 2.780 2.372 2.301 2.508 . 0 0 "[ . 1 . 2]" 1
524 1 88 TYR H 1 88 TYR HB3 . . 4.090 3.667 3.613 3.746 . 0 0 "[ . 1 . 2]" 1
525 1 27 MET HA 1 28 GLU HA . . 4.490 4.320 4.249 4.387 . 0 0 "[ . 1 . 2]" 1
526 1 28 GLU HA 1 28 GLU HG3 . . 3.900 2.771 2.565 3.202 . 0 0 "[ . 1 . 2]" 1
527 1 28 GLU HA 1 28 GLU HG2 . . 3.900 3.403 3.057 3.853 . 0 0 "[ . 1 . 2]" 1
528 1 28 GLU HA 1 31 ILE HB . . 3.830 2.605 2.210 3.152 . 0 0 "[ . 1 . 2]" 1
529 1 42 ILE HA 1 42 ILE QG . . 3.320 2.451 2.379 2.494 . 0 0 "[ . 1 . 2]" 1
530 1 32 LEU HA 1 32 LEU MD1 . . 4.020 3.917 3.888 3.950 . 0 0 "[ . 1 . 2]" 1
531 1 79 ASN HA 1 82 VAL H . . 4.130 3.662 3.327 3.995 . 0 0 "[ . 1 . 2]" 1
532 1 59 ARG HA 1 59 ARG HD2 . . 5.480 4.752 4.412 4.925 . 0 0 "[ . 1 . 2]" 1
533 1 58 LYS HA 1 58 LYS HE2 . . 5.500 4.844 4.250 5.494 . 0 0 "[ . 1 . 2]" 1
534 1 58 LYS HA 1 58 LYS HE3 . . 5.500 4.959 4.147 6.055 0.555 6 1 "[ .+ 1 . 2]" 1
535 1 58 LYS HA 1 61 MET HG3 . . 5.500 4.437 3.547 4.743 . 0 0 "[ . 1 . 2]" 1
536 1 58 LYS HA 1 58 LYS QD . . 4.170 4.124 3.446 4.346 0.176 17 0 "[ . 1 . 2]" 1
537 1 45 LYS HA 1 45 LYS HG2 . . 4.010 3.197 2.519 3.733 . 0 0 "[ . 1 . 2]" 1
538 1 45 LYS H 1 45 LYS HA . . 2.840 2.241 2.229 2.255 . 0 0 "[ . 1 . 2]" 1
539 1 45 LYS HA 1 47 LEU HG . . 4.640 4.074 3.055 4.994 0.354 12 0 "[ . 1 . 2]" 1
540 1 95 THR HA 1 95 THR HB . . 2.550 2.526 2.366 3.018 0.468 18 0 "[ . 1 . 2]" 1
541 1 31 ILE HA 1 31 ILE MG . . 3.400 2.562 2.500 2.631 . 0 0 "[ . 1 . 2]" 1
542 1 31 ILE HA 1 31 ILE MD . . 3.940 3.897 3.861 3.937 . 0 0 "[ . 1 . 2]" 1
543 1 22 THR HA 1 22 THR MG . . 2.730 2.408 2.378 2.435 . 0 0 "[ . 1 . 2]" 1
544 1 9 PHE QB 1 10 ASN HB2 . . 5.500 4.044 3.300 4.583 . 0 0 "[ . 1 . 2]" 1
545 1 77 LEU HA 1 80 VAL MG1 . . 4.050 4.128 3.927 4.307 0.257 16 0 "[ . 1 . 2]" 1
546 1 77 LEU HA 1 77 LEU MD1 . . 3.920 2.238 2.158 2.323 . 0 0 "[ . 1 . 2]" 1
547 1 77 LEU HA 1 77 LEU HG . . 3.590 2.848 2.723 2.958 . 0 0 "[ . 1 . 2]" 1
548 1 45 LYS QE 1 45 LYS HG3 . . 3.870 3.113 2.441 3.592 . 0 0 "[ . 1 . 2]" 1
549 1 45 LYS QE 1 46 ASP H . . 5.500 5.400 4.319 6.155 0.655 11 7 "[ *- ** 1+ . * *]" 1
550 1 49 LYS HA 1 49 LYS QG . . 3.260 2.690 2.343 3.234 . 0 0 "[ . 1 . 2]" 1
551 1 91 THR HA 1 91 THR HB . . 2.630 2.513 2.457 2.645 0.015 16 0 "[ . 1 . 2]" 1
552 1 91 THR HA 1 91 THR MG . . 2.670 2.404 2.290 2.471 . 0 0 "[ . 1 . 2]" 1
553 1 71 MET HA 1 71 MET HG2 . . 3.810 2.805 2.487 3.273 . 0 0 "[ . 1 . 2]" 1
554 1 71 MET HA 1 71 MET QB . . 2.780 2.408 2.363 2.446 . 0 0 "[ . 1 . 2]" 1
555 1 62 GLN HE22 1 70 ASN QB . . 5.500 3.491 2.343 5.078 . 0 0 "[ . 1 . 2]" 1
556 1 38 CYS HA 1 50 LEU HA . . 5.460 4.445 4.187 4.795 . 0 0 "[ . 1 . 2]" 1
557 1 56 TYR HA 1 56 TYR QD . . 3.620 2.435 2.028 2.772 . 0 0 "[ . 1 . 2]" 1
558 1 12 VAL HA 1 12 VAL QG . . 2.790 2.192 2.179 2.206 . 0 0 "[ . 1 . 2]" 1
559 1 12 VAL HA 1 15 LEU HB2 . . 4.140 3.495 2.845 4.318 0.178 3 0 "[ . 1 . 2]" 1
560 1 17 ARG HA 1 17 ARG QG . . 3.550 2.541 2.461 2.655 . 0 0 "[ . 1 . 2]" 1
561 1 17 ARG HA 1 17 ARG HD3 . . 4.900 4.753 4.701 4.811 . 0 0 "[ . 1 . 2]" 1
562 1 8 GLU HA 1 8 GLU HG2 . . 3.930 2.771 2.457 3.786 . 0 0 "[ . 1 . 2]" 1
563 1 8 GLU HA 1 8 GLU HG3 . . 3.930 3.319 2.595 3.834 . 0 0 "[ . 1 . 2]" 1
564 1 45 LYS H 1 45 LYS QE . . 5.410 3.888 2.259 5.560 0.150 20 0 "[ . 1 . 2]" 1
565 1 9 PHE HA 1 10 ASN HB2 . . 5.500 5.856 5.522 6.030 0.530 6 3 "[ * .+ 1- . 2]" 1
566 1 94 VAL HA 1 94 VAL QG . . 2.380 2.275 2.185 2.338 . 0 0 "[ . 1 . 2]" 1
567 1 94 VAL HA 1 94 VAL HB . . 2.900 2.596 2.456 3.064 0.164 18 0 "[ . 1 . 2]" 1
568 1 94 VAL HA 1 95 THR H . . 2.800 2.260 2.061 3.339 0.539 20 1 "[ . 1 . +]" 1
569 1 91 THR H 1 91 THR HB . . 4.060 3.718 3.636 3.822 . 0 0 "[ . 1 . 2]" 1
570 1 69 TRP HA 1 69 TRP HE3 . . 3.310 2.635 2.255 3.145 . 0 0 "[ . 1 . 2]" 1
571 1 68 VAL HA 1 69 TRP HA . . 5.080 4.797 4.770 4.848 . 0 0 "[ . 1 . 2]" 1
572 1 69 TRP HA 1 69 TRP HD1 . . 4.490 4.333 4.126 4.515 0.025 7 0 "[ . 1 . 2]" 1
573 1 14 THR HA 1 17 ARG HD3 . . 5.500 3.739 3.361 4.172 . 0 0 "[ . 1 . 2]" 1
574 1 57 MET HA 1 57 MET ME . . 4.680 4.363 4.084 4.507 . 0 0 "[ . 1 . 2]" 1
575 1 57 MET HA 1 61 MET ME . . 4.910 3.956 3.495 4.465 . 0 0 "[ . 1 . 2]" 1
576 1 54 ILE HA 1 54 ILE MD . . 3.100 2.063 1.955 2.197 . 0 0 "[ . 1 . 2]" 1
577 1 54 ILE HA 1 54 ILE HG13 . . 3.770 3.740 3.689 3.792 0.022 15 0 "[ . 1 . 2]" 1
578 1 54 ILE HA 1 54 ILE HG12 . . 3.790 2.921 2.741 3.062 . 0 0 "[ . 1 . 2]" 1
579 1 54 ILE HA 1 54 ILE MG . . 3.250 2.622 2.548 2.734 . 0 0 "[ . 1 . 2]" 1
580 1 21 THR H 1 21 THR HB . . 3.790 3.651 3.609 3.685 . 0 0 "[ . 1 . 2]" 1
581 1 25 ASP HA 1 26 PRO HD3 . . 3.290 2.608 2.150 3.013 . 0 0 "[ . 1 . 2]" 1
582 1 25 ASP HA 1 26 PRO HD2 . . 3.290 2.210 2.007 2.846 . 0 0 "[ . 1 . 2]" 1
583 1 25 ASP HA 1 68 VAL MG1 . . 4.190 2.587 1.946 3.610 . 0 0 "[ . 1 . 2]" 1
584 1 25 ASP HA 1 26 PRO QG . . 3.920 3.984 3.868 4.092 0.172 19 0 "[ . 1 . 2]" 1
585 1 4 ALA HA 1 5 GLY H . . 3.230 2.923 2.663 3.094 . 0 0 "[ . 1 . 2]" 1
586 1 3 LEU HA 1 4 ALA HA . . 4.560 4.370 4.322 4.438 . 0 0 "[ . 1 . 2]" 1
587 1 4 ALA HA 1 16 LEU MD1 . . 4.930 4.721 4.468 5.114 0.184 16 0 "[ . 1 . 2]" 1
588 1 6 ALA HA 1 7 VAL H . . 2.590 2.188 2.142 2.351 . 0 0 "[ . 1 . 2]" 1
589 1 6 ALA HA 1 11 ASP QB . . 3.800 3.106 2.250 4.050 0.250 15 0 "[ . 1 . 2]" 1
590 1 72 ALA HA 1 75 PHE HB2 . . 3.600 3.853 3.545 4.085 0.485 9 0 "[ . 1 . 2]" 1
591 1 72 ALA HA 1 75 PHE HB3 . . 3.600 2.916 2.610 3.282 . 0 0 "[ . 1 . 2]" 1
592 1 71 MET QB 1 72 ALA HA . . 4.360 4.026 3.919 4.159 . 0 0 "[ . 1 . 2]" 1
593 1 72 ALA HA 1 76 ILE HG13 . . 4.650 3.805 3.647 4.063 . 0 0 "[ . 1 . 2]" 1
594 1 31 ILE MG 1 72 ALA HA . . 3.980 3.066 2.455 3.586 . 0 0 "[ . 1 . 2]" 1
595 1 31 ILE MD 1 72 ALA HA . . 3.870 3.095 2.602 3.840 . 0 0 "[ . 1 . 2]" 1
596 1 37 TYR QD 1 38 CYS HA . . 4.150 3.682 3.403 3.997 . 0 0 "[ . 1 . 2]" 1
597 1 38 CYS HA 1 53 VAL MG1 . . 3.690 3.034 2.623 3.578 . 0 0 "[ . 1 . 2]" 1
598 1 38 CYS HA 1 42 ILE QG . . 4.610 4.345 4.219 4.476 . 0 0 "[ . 1 . 2]" 1
599 1 38 CYS HA 1 41 LEU MD2 . . 3.700 2.173 1.902 2.615 . 0 0 "[ . 1 . 2]" 1
600 1 38 CYS HA 1 41 LEU MD1 . . 3.700 2.698 2.457 3.007 . 0 0 "[ . 1 . 2]" 1
601 1 11 ASP HA 1 14 THR HB . . 3.150 3.017 2.682 3.362 0.212 13 0 "[ . 1 . 2]" 1
602 1 11 ASP HA 1 14 THR MG . . 4.730 4.348 4.027 4.726 . 0 0 "[ . 1 . 2]" 1
603 1 40 ASP HA 1 43 GLU H . . 3.870 3.517 3.264 3.816 . 0 0 "[ . 1 . 2]" 1
604 1 40 ASP HA 1 43 GLU HG3 . . 3.000 3.341 3.032 3.617 0.617 4 3 "[* -+. 1 . 2]" 1
605 1 70 ASN HA 1 72 ALA H . . 4.690 4.503 4.377 4.655 . 0 0 "[ . 1 . 2]" 1
606 1 46 ASP HA 1 47 LEU H . . 2.800 2.234 2.155 2.401 . 0 0 "[ . 1 . 2]" 1
607 1 51 ASP HA 1 54 ILE HB . . 3.310 3.193 2.696 3.586 0.276 1 0 "[ . 1 . 2]" 1
608 1 51 ASP HA 1 92 LEU QB . . 3.600 3.424 2.523 4.162 0.562 15 1 "[ . 1 + 2]" 1
609 1 74 ASP HA 1 77 LEU H . . 3.920 4.193 4.001 4.405 0.485 3 0 "[ . 1 . 2]" 1
610 1 18 GLU HA 1 18 GLU HG3 . . 4.050 3.713 3.063 3.876 . 0 0 "[ . 1 . 2]" 1
611 1 28 GLU HA 1 31 ILE QG . . 3.640 3.278 2.734 3.937 0.297 17 0 "[ . 1 . 2]" 1
612 1 28 GLU HA 1 31 ILE MD . . 3.220 2.317 1.862 3.065 . 0 0 "[ . 1 . 2]" 1
613 1 28 GLU HA 1 32 LEU H . . 4.920 4.149 3.753 4.384 . 0 0 "[ . 1 . 2]" 1
614 1 28 GLU HA 1 31 ILE H . . 3.890 3.492 3.151 3.842 . 0 0 "[ . 1 . 2]" 1
615 1 28 GLU HA 1 30 ASP H . . 4.830 4.450 4.246 4.764 . 0 0 "[ . 1 . 2]" 1
616 1 43 GLU HA 1 45 LYS H . . 4.060 3.616 3.477 3.924 . 0 0 "[ . 1 . 2]" 1
617 1 43 GLU HA 1 43 GLU HG2 . . 3.290 2.824 2.556 3.381 0.091 11 0 "[ . 1 . 2]" 1
618 1 43 GLU HA 1 43 GLU HB3 . . 2.600 2.477 2.435 2.509 . 0 0 "[ . 1 . 2]" 1
619 1 29 GLU HA 1 32 LEU HG . . 3.840 3.689 2.779 4.457 0.617 4 2 "[ +. 1 . -2]" 1
620 1 29 GLU HA 1 32 LEU HB2 . . 3.690 2.889 2.093 3.422 . 0 0 "[ . 1 . 2]" 1
621 1 29 GLU HA 1 32 LEU MD1 . . 3.040 2.666 2.110 3.472 0.432 19 0 "[ . 1 . 2]" 1
622 1 48 GLU HA 1 51 ASP H . . 4.220 3.562 3.076 3.975 . 0 0 "[ . 1 . 2]" 1
623 1 48 GLU HA 1 51 ASP QB . . 3.640 2.748 2.150 3.480 . 0 0 "[ . 1 . 2]" 1
624 1 73 PHE HA 1 76 ILE H . . 4.270 3.742 3.434 4.044 . 0 0 "[ . 1 . 2]" 1
625 1 73 PHE HA 1 76 ILE HB . . 3.290 2.841 2.525 3.147 . 0 0 "[ . 1 . 2]" 1
626 1 72 ALA MB 1 73 PHE HA . . 3.930 3.882 3.804 3.941 0.011 13 0 "[ . 1 . 2]" 1
627 1 73 PHE HA 1 76 ILE MD . . 3.200 2.969 2.527 3.340 0.140 10 0 "[ . 1 . 2]" 1
628 1 73 PHE HA 1 76 ILE MG . . 4.840 4.175 3.930 4.383 . 0 0 "[ . 1 . 2]" 1
629 1 75 PHE HA 1 78 ASP H . . 4.020 3.827 3.693 3.984 . 0 0 "[ . 1 . 2]" 1
630 1 75 PHE HA 1 79 ASN H . . 4.600 4.190 4.055 4.305 . 0 0 "[ . 1 . 2]" 1
631 1 75 PHE HA 1 78 ASP HB2 . . 3.370 3.555 3.275 3.661 0.291 20 0 "[ . 1 . 2]" 1
632 1 75 PHE HA 1 78 ASP HB3 . . 3.560 2.891 2.687 3.159 . 0 0 "[ . 1 . 2]" 1
633 1 9 PHE HA 1 49 LYS QG . . 4.750 4.164 3.512 4.805 0.055 19 0 "[ . 1 . 2]" 1
634 1 31 ILE HA 1 34 VAL HB . . 4.190 3.458 2.958 4.343 0.153 17 0 "[ . 1 . 2]" 1
635 1 31 ILE HA 1 31 ILE QG . . 3.850 2.441 2.396 2.494 . 0 0 "[ . 1 . 2]" 1
636 1 42 ILE HA 1 44 GLU H . . 4.270 4.208 3.915 4.365 0.095 4 0 "[ . 1 . 2]" 1
637 1 42 ILE HA 1 45 LYS H . . 4.620 3.459 3.062 3.999 . 0 0 "[ . 1 . 2]" 1
638 1 42 ILE HA 1 46 ASP H . . 4.410 3.732 3.221 4.187 . 0 0 "[ . 1 . 2]" 1
639 1 42 ILE HA 1 45 LYS HA . . 4.600 3.682 2.990 4.561 . 0 0 "[ . 1 . 2]" 1
640 1 42 ILE HA 1 47 LEU HA . . 4.460 4.628 4.372 5.084 0.624 19 1 "[ . 1 . +2]" 1
641 1 42 ILE HA 1 47 LEU QD . . 3.210 3.058 2.704 3.385 0.175 15 0 "[ . 1 . 2]" 1
642 1 54 ILE HA 1 57 MET ME . . 3.250 2.457 2.162 3.098 . 0 0 "[ . 1 . 2]" 1
643 1 54 ILE HA 1 57 MET QB . . 3.980 2.999 2.629 3.434 . 0 0 "[ . 1 . 2]" 1
644 1 53 VAL MG1 1 54 ILE HA . . 4.030 3.283 3.183 3.465 . 0 0 "[ . 1 . 2]" 1
645 1 76 ILE HA 1 79 ASN HB2 . . 4.310 3.326 2.959 3.704 . 0 0 "[ . 1 . 2]" 1
646 1 75 PHE HD2 1 76 ILE HA . . 4.010 3.373 3.108 3.743 . 0 0 "[ . 1 . 2]" 1
647 1 76 ILE HA 1 78 ASP H . . 4.860 4.601 4.492 4.717 . 0 0 "[ . 1 . 2]" 1
648 1 76 ILE HA 1 80 VAL H . . 5.230 4.217 4.015 4.362 . 0 0 "[ . 1 . 2]" 1
649 1 76 ILE HA 1 79 ASN H . . 4.310 3.918 3.722 4.074 . 0 0 "[ . 1 . 2]" 1
650 1 32 LEU HA 1 76 ILE HA . . 5.500 5.765 5.488 5.981 0.481 2 0 "[ . 1 . 2]" 1
651 1 13 LYS HA 1 17 ARG H . . 4.720 4.127 3.977 4.270 . 0 0 "[ . 1 . 2]" 1
652 1 13 LYS HA 1 56 TYR QD . . 4.880 2.881 2.242 3.338 . 0 0 "[ . 1 . 2]" 1
653 1 10 ASN HA 1 13 LYS HA . . 5.500 5.146 4.566 5.584 0.084 13 0 "[ . 1 . 2]" 1
654 1 13 LYS HA 1 13 LYS HG3 . . 3.880 3.289 3.055 3.908 0.028 13 0 "[ . 1 . 2]" 1
655 1 13 LYS HA 1 13 LYS HG2 . . 3.880 2.619 2.471 3.729 . 0 0 "[ . 1 . 2]" 1
656 1 36 LYS HA 1 39 THR HB . . 3.510 2.681 2.233 3.150 . 0 0 "[ . 1 . 2]" 1
657 1 36 LYS HA 1 40 ASP H . . 4.540 4.075 3.810 4.284 . 0 0 "[ . 1 . 2]" 1
658 1 36 LYS HA 1 39 THR MG . . 4.590 3.954 3.570 4.434 . 0 0 "[ . 1 . 2]" 1
659 1 35 VAL MG1 1 36 LYS HA . . 3.930 3.479 3.235 3.914 . 0 0 "[ . 1 . 2]" 1
660 1 36 LYS HA 1 38 CYS H . . 5.050 4.759 4.682 4.869 . 0 0 "[ . 1 . 2]" 1
661 1 45 LYS HA 1 87 THR MG . . 5.040 4.505 3.635 5.571 0.531 4 1 "[ +. 1 . 2]" 1
662 1 49 LYS HA 1 52 LEU QD . . 3.100 2.487 1.895 3.157 0.057 7 0 "[ . 1 . 2]" 1
663 1 9 PHE QD 1 49 LYS HA . . 5.500 3.846 2.628 4.954 . 0 0 "[ . 1 . 2]" 1
664 1 55 LYS HA 1 58 LYS H . . 3.780 3.720 3.470 3.980 0.200 9 0 "[ . 1 . 2]" 1
665 1 55 LYS HA 1 58 LYS QB . . 3.450 2.680 2.397 3.048 . 0 0 "[ . 1 . 2]" 1
666 1 54 ILE MG 1 55 LYS HA . . 3.700 3.077 2.868 3.189 . 0 0 "[ . 1 . 2]" 1
667 1 55 LYS HA 1 59 ARG H . . 4.920 4.306 4.149 4.474 . 0 0 "[ . 1 . 2]" 1
668 1 58 LYS HA 1 73 PHE HD1 . . 4.160 3.700 3.052 4.311 0.151 1 0 "[ . 1 . 2]" 1
669 1 58 LYS HA 1 61 MET HB2 . . 4.460 3.192 2.825 3.407 . 0 0 "[ . 1 . 2]" 1
670 1 58 LYS HA 1 61 MET HB3 . . 4.800 4.865 4.454 5.086 0.286 20 0 "[ . 1 . 2]" 1
671 1 58 LYS HA 1 61 MET HG2 . . 5.500 5.539 3.373 6.090 0.590 11 6 "[ .* *1+ - * * 2]" 1
672 1 58 LYS HA 1 58 LYS QG . . 4.010 2.487 2.374 2.572 . 0 0 "[ . 1 . 2]" 1
673 1 58 LYS HA 1 59 ARG HA . . 5.080 4.873 4.722 4.941 . 0 0 "[ . 1 . 2]" 1
674 1 78 ASP HA 1 81 GLN HB2 . . 3.550 3.183 2.706 3.661 0.111 18 0 "[ . 1 . 2]" 1
675 1 18 GLU HA 1 21 THR MG . . 3.920 3.882 3.478 4.267 0.347 16 0 "[ . 1 . 2]" 1
676 1 17 ARG HB3 1 18 GLU HA . . 4.760 4.377 4.302 4.599 . 0 0 "[ . 1 . 2]" 1
677 1 44 GLU HA 1 46 ASP H . . 4.650 4.575 4.376 5.077 0.427 12 0 "[ . 1 . 2]" 1
678 1 47 LEU HB2 1 48 GLU HA . . 4.620 4.624 4.422 4.783 0.163 3 0 "[ . 1 . 2]" 1
679 1 29 GLU HA 1 32 LEU H . . 4.070 3.681 3.204 4.178 0.108 4 0 "[ . 1 . 2]" 1
680 1 44 GLU HA 1 45 LYS HA . . 5.280 5.103 4.935 5.215 . 0 0 "[ . 1 . 2]" 1
681 1 43 GLU H 1 44 GLU HA . . 5.360 5.273 5.213 5.309 . 0 0 "[ . 1 . 2]" 1
682 1 47 LEU HB3 1 48 GLU HA . . 4.850 4.732 4.476 4.903 0.053 1 0 "[ . 1 . 2]" 1
683 1 7 VAL H 1 8 GLU HA . . 4.990 4.942 4.737 5.142 0.152 14 0 "[ . 1 . 2]" 1
684 1 9 PHE HA 1 13 LYS H . . 5.500 4.552 4.328 4.671 . 0 0 "[ . 1 . 2]" 1
685 1 42 ILE HA 1 47 LEU HG . . 5.130 4.815 4.393 5.342 0.212 19 0 "[ . 1 . 2]" 1
686 1 42 ILE HA 1 88 TYR QE . . 5.140 3.454 3.020 4.005 . 0 0 "[ . 1 . 2]" 1
687 1 54 ILE HA 1 57 MET H . . 4.050 3.980 3.723 4.236 0.186 6 0 "[ . 1 . 2]" 1
688 1 13 LYS HA 1 60 LEU MD2 . . 5.500 5.643 5.033 6.029 0.529 20 1 "[ . 1 . +]" 1
689 1 45 LYS HA 1 47 LEU H . . 4.530 4.718 3.963 5.018 0.488 12 0 "[ . 1 . 2]" 1
690 1 49 LYS HA 1 51 ASP QB . . 5.060 4.934 4.714 5.361 0.301 9 0 "[ . 1 . 2]" 1
691 1 58 LYS HA 1 61 MET ME . . 5.500 5.541 4.873 6.050 0.550 16 1 "[ . 1 .+ 2]" 1
692 1 93 LYS HA 1 93 LYS QE . . 5.070 4.794 4.074 5.764 0.694 9 1 "[ . +1 . 2]" 1
693 1 52 LEU HA 1 55 LYS QE . . 4.180 3.882 2.202 4.974 0.794 4 5 "[ +. - * *. *2]" 1
694 1 15 LEU HA 1 17 ARG H . . 4.400 4.378 4.206 4.538 0.138 12 0 "[ . 1 . 2]" 1
695 1 32 LEU HA 1 35 VAL H . . 3.420 3.378 2.999 3.526 0.106 14 0 "[ . 1 . 2]" 1
696 1 79 ASN HA 1 80 VAL HA . . 4.940 4.844 4.798 4.876 . 0 0 "[ . 1 . 2]" 1
697 1 32 LEU HA 1 35 VAL HB . . 3.120 2.817 2.522 3.123 0.003 10 0 "[ . 1 . 2]" 1
698 1 47 LEU HA 1 50 LEU HB2 . . 3.420 2.540 2.325 3.350 . 0 0 "[ . 1 . 2]" 1
699 1 47 LEU HA 1 50 LEU HB3 . . 3.470 2.304 2.113 2.836 . 0 0 "[ . 1 . 2]" 1
700 1 46 ASP HA 1 47 LEU HA . . 4.670 4.506 4.452 4.575 . 0 0 "[ . 1 . 2]" 1
701 1 47 LEU HA 1 51 ASP H . . 4.400 3.814 3.560 4.177 . 0 0 "[ . 1 . 2]" 1
702 1 50 LEU HA 1 54 ILE H . . 4.600 4.011 3.856 4.274 . 0 0 "[ . 1 . 2]" 1
703 1 50 LEU HA 1 51 ASP QB . . 5.500 5.233 5.140 5.486 . 0 0 "[ . 1 . 2]" 1
704 1 50 LEU HA 1 53 VAL HB . . 3.860 4.176 3.993 4.425 0.565 10 2 "[ . - + . 2]" 1
705 1 50 LEU HA 1 54 ILE HG12 . . 4.080 3.561 3.363 3.818 . 0 0 "[ . 1 . 2]" 1
706 1 50 LEU HA 1 50 LEU MD1 . . 4.030 2.865 2.022 3.283 . 0 0 "[ . 1 . 2]" 1
707 1 15 LEU HA 1 18 GLU H . . 4.140 3.687 3.332 4.102 . 0 0 "[ . 1 . 2]" 1
708 1 52 LEU HA 1 56 TYR H . . 4.400 4.138 4.017 4.292 . 0 0 "[ . 1 . 2]" 1
709 1 60 LEU HA 1 63 GLN QB . . 3.870 2.324 2.106 2.701 . 0 0 "[ . 1 . 2]" 1
710 1 59 ARG QB 1 60 LEU HA . . 4.490 3.983 3.754 4.213 . 0 0 "[ . 1 . 2]" 1
711 1 20 ILE MG 1 60 LEU HA . . 4.260 3.829 3.650 4.009 . 0 0 "[ . 1 . 2]" 1
712 1 77 LEU HA 1 78 ASP HA . . 4.950 4.919 4.870 4.970 0.020 14 0 "[ . 1 . 2]" 1
713 1 76 ILE HA 1 77 LEU HA . . 4.870 4.891 4.840 4.953 0.083 1 0 "[ . 1 . 2]" 1
714 1 77 LEU HA 1 80 VAL HB . . 3.210 2.940 2.728 3.080 . 0 0 "[ . 1 . 2]" 1
715 1 77 LEU HA 1 80 VAL MG2 . . 4.050 3.664 3.268 3.971 . 0 0 "[ . 1 . 2]" 1
716 1 77 LEU HA 1 79 ASN H . . 5.270 4.881 4.668 5.050 . 0 0 "[ . 1 . 2]" 1
717 1 77 LEU HA 1 80 VAL H . . 4.200 3.946 3.802 4.091 . 0 0 "[ . 1 . 2]" 1
718 1 77 LEU HA 1 81 GLN H . . 4.260 4.008 3.592 4.202 . 0 0 "[ . 1 . 2]" 1
719 1 84 LEU HA 1 87 THR HB . . 3.610 2.924 2.616 3.346 . 0 0 "[ . 1 . 2]" 1
720 1 84 LEU HA 1 87 THR MG . . 3.890 4.353 4.121 4.754 0.864 6 6 "[ * .+- 1 *** 2]" 1
721 1 84 LEU HA 1 88 TYR QD . . 4.360 3.086 2.497 3.684 . 0 0 "[ . 1 . 2]" 1
722 1 84 LEU HA 1 88 TYR H . . 4.230 3.508 3.079 3.876 . 0 0 "[ . 1 . 2]" 1
723 1 72 ALA HA 1 75 PHE HD2 . . 4.390 4.352 3.910 4.817 0.427 1 0 "[ . 1 . 2]" 1
724 1 92 LEU HA 1 93 LYS H . . 2.650 2.252 2.055 2.385 . 0 0 "[ . 1 . 2]" 1
725 1 92 LEU HA 1 94 VAL H . . 4.220 4.148 3.531 5.068 0.848 3 2 "[ + . 1 - . 2]" 1
726 1 27 MET HA 1 28 GLU HB2 . . 4.650 4.622 4.368 4.894 0.244 12 0 "[ . 1 . 2]" 1
727 1 27 MET HA 1 28 GLU H . . 3.010 2.363 2.201 2.638 . 0 0 "[ . 1 . 2]" 1
728 1 27 MET HA 1 29 GLU H . . 4.520 4.386 4.087 5.026 0.506 17 1 "[ . 1 . + 2]" 1
729 1 57 MET HA 1 61 MET HB2 . . 5.410 5.105 4.612 5.835 0.425 1 0 "[ . 1 . 2]" 1
730 1 57 MET HA 1 58 LYS QB . . 5.330 5.213 5.171 5.262 . 0 0 "[ . 1 . 2]" 1
731 1 57 MET HA 1 60 LEU HG . . 3.800 3.419 2.723 4.078 0.278 9 0 "[ . 1 . 2]" 1
732 1 57 MET HA 1 60 LEU QB . . 3.980 2.802 2.380 3.134 . 0 0 "[ . 1 . 2]" 1
733 1 20 ILE MD 1 57 MET HA . . 3.550 3.007 2.666 3.324 . 0 0 "[ . 1 . 2]" 1
734 1 57 MET HA 1 60 LEU MD1 . . 3.680 2.531 2.137 3.103 . 0 0 "[ . 1 . 2]" 1
735 1 56 TYR QD 1 57 MET HA . . 5.150 4.433 3.853 5.013 . 0 0 "[ . 1 . 2]" 1
736 1 57 MET HA 1 60 LEU H . . 3.890 3.472 3.106 3.885 . 0 0 "[ . 1 . 2]" 1
737 1 57 MET HA 1 61 MET H . . 4.170 3.879 3.457 4.288 0.118 10 0 "[ . 1 . 2]" 1
738 1 20 ILE MD 1 61 MET HA . . 3.980 3.802 3.535 3.999 0.019 14 0 "[ . 1 . 2]" 1
739 1 20 ILE MG 1 61 MET HA . . 3.750 2.489 2.251 2.697 . 0 0 "[ . 1 . 2]" 1
740 1 61 MET HA 1 63 GLN H . . 4.500 4.186 3.935 4.431 . 0 0 "[ . 1 . 2]" 1
741 1 61 MET HA 1 69 TRP HE3 . . 4.500 4.155 3.355 4.867 0.367 12 0 "[ . 1 . 2]" 1
742 1 71 MET HA 1 72 ALA MB . . 5.020 5.079 5.037 5.108 0.088 19 0 "[ . 1 . 2]" 1
743 1 10 ASN HA 1 13 LYS QE . . 3.900 2.609 1.803 4.454 0.554 8 1 "[ . + 1 . 2]" 1
744 1 10 ASN HA 1 13 LYS HB2 . . 3.780 2.694 2.180 4.699 0.919 13 1 "[ . 1 + . 2]" 1
745 1 10 ASN HA 1 13 LYS HB3 . . 4.920 4.160 3.619 4.662 . 0 0 "[ . 1 . 2]" 1
746 1 10 ASN HA 1 14 THR H . . 5.060 3.960 3.632 4.295 . 0 0 "[ . 1 . 2]" 1
747 1 10 ASN HA 1 12 VAL H . . 4.750 4.271 4.038 4.476 . 0 0 "[ . 1 . 2]" 1
748 1 10 ASN HA 1 13 LYS H . . 3.630 3.200 2.794 3.463 . 0 0 "[ . 1 . 2]" 1
749 1 70 ASN HA 1 72 ALA MB . . 5.350 4.916 4.660 5.294 . 0 0 "[ . 1 . 2]" 1
750 1 70 ASN HA 1 73 PHE HB3 . . 4.020 2.722 2.414 3.233 . 0 0 "[ . 1 . 2]" 1
751 1 79 ASN HA 1 82 VAL HB . . 3.110 2.873 2.555 3.229 0.119 16 0 "[ . 1 . 2]" 1
752 1 78 ASP HB3 1 79 ASN HA . . 4.300 4.192 4.074 4.297 . 0 0 "[ . 1 . 2]" 1
753 1 26 PRO HA 1 27 MET HG3 . . 4.570 4.005 3.787 4.169 . 0 0 "[ . 1 . 2]" 1
754 1 26 PRO HA 1 27 MET HG2 . . 4.570 4.921 4.687 5.113 0.543 14 1 "[ . 1 +. 2]" 1
755 1 23 ILE HB 1 26 PRO HA . . 5.500 4.889 4.255 5.310 . 0 0 "[ . 1 . 2]" 1
756 1 26 PRO HA 1 27 MET QB . . 4.720 4.536 4.427 4.633 . 0 0 "[ . 1 . 2]" 1
757 1 23 ILE MG 1 26 PRO HA . . 2.920 2.657 2.078 3.411 0.491 14 0 "[ . 1 . 2]" 1
758 1 26 PRO HA 1 27 MET HA . . 4.540 4.466 4.426 4.514 . 0 0 "[ . 1 . 2]" 1
759 1 26 PRO HA 1 27 MET H . . 3.020 2.236 2.157 2.372 . 0 0 "[ . 1 . 2]" 1
760 1 61 MET HA 1 62 GLN HA . . 4.720 4.681 4.622 4.757 0.037 1 0 "[ . 1 . 2]" 1
761 1 60 LEU HA 1 63 GLN HA . . 4.910 5.055 4.909 5.233 0.323 6 0 "[ . 1 . 2]" 1
762 1 81 GLN HA 1 84 LEU HB2 . . 4.150 2.528 2.029 3.062 . 0 0 "[ . 1 . 2]" 1
763 1 85 GLN HA 1 91 THR MG . . 4.700 3.820 3.320 4.264 . 0 0 "[ . 1 . 2]" 1
764 1 85 GLN HA 1 90 SER H . . 3.870 3.753 3.182 4.125 0.255 7 0 "[ . 1 . 2]" 1
765 1 85 GLN HA 1 89 GLY H . . 3.330 2.808 2.209 3.480 0.150 12 0 "[ . 1 . 2]" 1
766 1 86 GLN HA 1 88 TYR H . . 5.170 5.217 4.940 5.437 0.267 16 0 "[ . 1 . 2]" 1
767 1 17 ARG HA 1 21 THR MG . . 4.090 3.454 3.148 3.749 . 0 0 "[ . 1 . 2]" 1
768 1 17 ARG HA 1 20 ILE HB . . 3.920 3.266 3.053 3.696 . 0 0 "[ . 1 . 2]" 1
769 1 17 ARG HA 1 60 LEU MD1 . . 3.240 1.773 1.728 1.830 . 0 0 "[ . 1 . 2]" 1
770 1 17 ARG HA 1 20 ILE MG . . 5.250 4.635 4.429 5.093 . 0 0 "[ . 1 . 2]" 1
771 1 17 ARG HA 1 56 TYR HE2 . . 4.370 4.129 3.548 4.651 0.281 2 0 "[ . 1 . 2]" 1
772 1 59 ARG HA 1 62 GLN H . . 4.200 3.910 3.438 4.350 0.150 15 0 "[ . 1 . 2]" 1
773 1 59 ARG HA 1 62 GLN HB2 . . 3.780 3.157 2.378 3.747 . 0 0 "[ . 1 . 2]" 1
774 1 59 ARG HA 1 62 GLN QG . . 4.370 3.911 3.187 4.661 0.291 11 0 "[ . 1 . 2]" 1
775 1 59 ARG HA 1 60 LEU HG . . 5.470 5.349 5.157 5.556 0.086 7 0 "[ . 1 . 2]" 1
776 1 58 LYS QG 1 59 ARG HA . . 4.280 3.670 3.174 4.828 0.548 4 1 "[ +. 1 . 2]" 1
777 1 59 ARG HA 1 60 LEU MD2 . . 5.140 5.184 4.987 5.380 0.240 10 0 "[ . 1 . 2]" 1
778 1 90 SER HA 1 91 THR HA . . 4.580 4.475 4.366 4.589 0.009 9 0 "[ . 1 . 2]" 1
779 1 85 GLN HA 1 90 SER HA . . 4.020 3.765 3.026 4.540 0.520 3 1 "[ + . 1 . 2]" 1
780 1 85 GLN QB 1 90 SER HA . . 4.430 4.640 3.620 5.060 0.630 3 4 "[ + .- **1 . 2]" 1
781 1 85 GLN QG 1 90 SER HA . . 4.110 3.386 2.320 4.615 0.505 6 1 "[ .+ 1 . 2]" 1
782 1 90 SER HA 1 91 THR MG . . 3.640 3.551 3.251 3.826 0.186 15 0 "[ . 1 . 2]" 1
783 1 90 SER HA 1 91 THR H . . 2.850 2.436 2.197 2.691 . 0 0 "[ . 1 . 2]" 1
784 1 14 THR HA 1 17 ARG QG . . 4.450 4.636 4.424 4.832 0.382 9 0 "[ . 1 . 2]" 1
785 1 13 LYS H 1 14 THR HA . . 5.500 5.430 5.329 5.473 . 0 0 "[ . 1 . 2]" 1
786 1 34 VAL HA 1 38 CYS H . . 5.500 3.983 3.670 4.153 . 0 0 "[ . 1 . 2]" 1
787 1 14 THR HA 1 17 ARG H . . 4.070 3.836 3.563 3.974 . 0 0 "[ . 1 . 2]" 1
788 1 20 ILE MG 1 21 THR HA . . 4.580 3.433 3.214 3.703 . 0 0 "[ . 1 . 2]" 1
789 1 21 THR HA 1 22 THR MG . . 5.500 4.980 4.666 6.176 0.676 14 2 "[ . - 1 +. 2]" 1
790 1 21 THR HA 1 60 LEU QB . . 5.500 5.228 4.705 5.811 0.311 2 0 "[ . 1 . 2]" 1
791 1 22 THR HA 1 23 ILE MD . . 5.370 5.070 4.377 5.593 0.223 10 0 "[ . 1 . 2]" 1
792 1 39 THR HA 1 80 VAL HA . . 4.660 4.204 3.599 4.619 . 0 0 "[ . 1 . 2]" 1
793 1 39 THR HA 1 42 ILE HB . . 3.450 2.783 2.363 3.053 . 0 0 "[ . 1 . 2]" 1
794 1 39 THR HA 1 83 VAL MG1 . . 4.500 3.232 2.713 3.900 . 0 0 "[ . 1 . 2]" 1
795 1 39 THR HA 1 42 ILE QG . . 4.470 3.034 2.786 3.224 . 0 0 "[ . 1 . 2]" 1
796 1 39 THR HA 1 42 ILE H . . 3.800 3.465 3.275 3.578 . 0 0 "[ . 1 . 2]" 1
797 1 68 VAL HA 1 71 MET QB . . 4.110 2.892 2.477 3.219 . 0 0 "[ . 1 . 2]" 1
798 1 42 ILE MG 1 87 THR HA . . 4.750 4.793 4.497 5.131 0.381 16 0 "[ . 1 . 2]" 1
799 1 87 THR HA 1 88 TYR QD . . 4.510 4.919 4.725 4.980 0.470 6 0 "[ . 1 . 2]" 1
800 1 85 GLN HA 1 91 THR HA . . 5.220 5.146 4.381 5.603 0.383 5 0 "[ . 1 . 2]" 1
801 1 84 LEU HG 1 91 THR HA . . 4.560 3.991 1.996 4.623 0.063 16 0 "[ . 1 . 2]" 1
802 1 91 THR HA 1 92 LEU QB . . 5.260 4.548 4.075 5.014 . 0 0 "[ . 1 . 2]" 1
803 1 84 LEU MD2 1 91 THR HA . . 4.590 2.356 1.803 3.616 . 0 0 "[ . 1 . 2]" 1
804 1 6 ALA MB 1 12 VAL HA . . 3.130 2.136 1.815 2.430 . 0 0 "[ . 1 . 2]" 1
805 1 11 ASP H 1 12 VAL HA . . 5.500 5.316 5.199 5.425 . 0 0 "[ . 1 . 2]" 1
806 1 12 VAL HA 1 15 LEU H . . 3.910 3.966 3.671 4.274 0.364 19 0 "[ . 1 . 2]" 1
807 1 6 ALA H 1 12 VAL HA . . 5.330 4.997 4.739 5.347 0.017 18 0 "[ . 1 . 2]" 1
808 1 34 VAL HA 1 37 TYR QB . . 3.570 2.696 2.171 3.254 . 0 0 "[ . 1 . 2]" 1
809 1 82 VAL HA 1 85 GLN QG . . 3.770 3.170 2.844 3.353 . 0 0 "[ . 1 . 2]" 1
810 1 14 THR HA 1 15 LEU HA . . 4.900 4.782 4.717 4.890 . 0 0 "[ . 1 . 2]" 1
811 1 83 VAL HA 1 86 GLN H . . 4.150 3.301 3.065 3.618 . 0 0 "[ . 1 . 2]" 1
812 1 82 VAL HA 1 85 GLN H . . 3.800 3.346 3.097 3.576 . 0 0 "[ . 1 . 2]" 1
813 1 83 VAL HA 1 85 GLN H . . 4.820 4.339 4.191 4.485 . 0 0 "[ . 1 . 2]" 1
814 1 82 VAL HA 1 85 GLN QB . . 3.600 2.742 2.432 3.197 . 0 0 "[ . 1 . 2]" 1
815 1 83 VAL HA 1 86 GLN HB2 . . 4.050 2.676 2.424 3.320 . 0 0 "[ . 1 . 2]" 1
816 1 53 VAL HA 1 56 TYR HB3 . . 3.590 3.062 2.627 3.521 . 0 0 "[ . 1 . 2]" 1
817 1 53 VAL HA 1 56 TYR HB2 . . 3.590 3.878 3.288 4.452 0.862 18 4 "[* . 1 -. *+ 2]" 1
818 1 52 LEU QD 1 53 VAL HA . . 5.500 5.044 4.902 5.143 . 0 0 "[ . 1 . 2]" 1
819 1 53 VAL HA 1 56 TYR H . . 3.880 3.814 3.493 4.041 0.161 14 0 "[ . 1 . 2]" 1
820 1 53 VAL HA 1 57 MET H . . 4.340 3.657 3.361 3.854 . 0 0 "[ . 1 . 2]" 1
821 1 61 MET ME 1 73 PHE HA . . 4.340 3.299 2.687 3.617 . 0 0 "[ . 1 . 2]" 1
822 1 68 VAL HA 1 70 ASN QB . . 5.130 5.089 4.667 5.482 0.352 8 0 "[ . 1 . 2]" 1
823 1 68 VAL HA 1 72 ALA H . . 4.830 3.971 3.871 4.112 . 0 0 "[ . 1 . 2]" 1
824 1 2 ASN HA 1 7 VAL HA . . 4.490 2.773 2.156 4.724 0.234 15 0 "[ . 1 . 2]" 1
825 1 6 ALA MB 1 7 VAL HA . . 4.250 4.337 4.031 4.493 0.243 14 0 "[ . 1 . 2]" 1
826 1 80 VAL HA 1 83 VAL HB . . 3.450 2.970 2.574 3.192 . 0 0 "[ . 1 . 2]" 1
827 1 39 THR MG 1 80 VAL HA . . 3.900 4.479 3.521 5.074 1.174 4 12 "[*-*+.* *** * ***]" 1
828 1 80 VAL HA 1 82 VAL H . . 5.110 4.433 4.306 4.573 . 0 0 "[ . 1 . 2]" 1
829 1 55 LYS QE 1 94 VAL HA . . 5.010 4.598 3.541 5.305 0.295 8 0 "[ . 1 . 2]" 1
830 1 93 LYS QE 1 94 VAL HA . . 5.500 5.142 3.952 6.334 0.834 6 3 "[ .+ 1 -. * 2]" 1
831 1 93 LYS QD 1 94 VAL HA . . 5.370 5.009 2.878 5.841 0.471 11 0 "[ . 1 . 2]" 1
832 1 94 VAL HA 1 95 THR MG . . 4.180 4.081 3.351 5.414 1.234 18 4 "[* . 1 *. +-2]" 1
833 1 18 GLU H 1 19 TRP HA . . 5.150 5.311 5.261 5.409 0.259 18 0 "[ . 1 . 2]" 1
834 1 61 MET HA 1 69 TRP HA . . 5.230 5.232 4.893 5.594 0.364 4 0 "[ . 1 . 2]" 1
835 1 61 MET HB3 1 69 TRP HA . . 5.270 4.391 3.865 4.819 . 0 0 "[ . 1 . 2]" 1
836 1 69 TRP HA 1 72 ALA MB . . 3.040 2.226 2.064 2.464 . 0 0 "[ . 1 . 2]" 1
837 1 69 TRP HA 1 72 ALA H . . 3.780 3.362 3.168 3.618 . 0 0 "[ . 1 . 2]" 1
838 1 69 TRP HA 1 73 PHE H . . 4.380 3.715 3.374 3.906 . 0 0 "[ . 1 . 2]" 1
839 1 37 TYR HA 1 38 CYS HA . . 4.860 4.780 4.716 4.820 . 0 0 "[ . 1 . 2]" 1
840 1 91 THR HA 1 92 LEU H . . 3.080 2.466 2.258 2.717 . 0 0 "[ . 1 . 2]" 1
841 1 55 LYS HB2 1 56 TYR HA . . 4.740 4.688 4.511 4.850 0.110 13 0 "[ . 1 . 2]" 1
842 1 56 TYR HA 1 59 ARG QB . . 3.260 2.785 2.336 3.126 . 0 0 "[ . 1 . 2]" 1
843 1 55 LYS HG3 1 56 TYR HA . . 4.110 3.478 3.222 4.615 0.505 7 1 "[ . + 1 . 2]" 1
844 1 56 TYR HA 1 60 LEU HG . . 4.780 3.997 3.594 4.231 . 0 0 "[ . 1 . 2]" 1
845 1 56 TYR HA 1 60 LEU MD1 . . 5.360 4.553 4.152 4.912 . 0 0 "[ . 1 . 2]" 1
846 1 87 THR HA 1 88 TYR HA . . 4.760 4.676 4.654 4.704 . 0 0 "[ . 1 . 2]" 1
847 1 87 THR HB 1 88 TYR HA . . 4.490 4.436 4.285 4.556 0.066 12 0 "[ . 1 . 2]" 1
848 1 87 THR MG 1 88 TYR HA . . 3.870 3.743 3.563 3.857 . 0 0 "[ . 1 . 2]" 1
849 1 18 GLU HA 1 21 THR HB . . 4.390 4.733 4.279 5.083 0.693 16 5 "[ . ** .+ * -]" 1
850 1 22 THR HB 1 23 ILE MD . . 4.370 3.764 2.950 4.466 0.096 10 0 "[ . 1 . 2]" 1
851 1 39 THR HB 1 83 VAL MG1 . . 4.940 4.449 4.219 4.682 . 0 0 "[ . 1 . 2]" 1
852 1 42 ILE MG 1 87 THR HB . . 3.800 2.750 2.485 2.944 . 0 0 "[ . 1 . 2]" 1
853 1 87 THR HB 1 88 TYR QE . . 4.280 3.587 2.990 4.061 . 0 0 "[ . 1 . 2]" 1
854 1 87 THR HB 1 88 TYR QD . . 3.750 2.358 2.206 2.557 . 0 0 "[ . 1 . 2]" 1
855 1 87 THR HB 1 88 TYR H . . 3.520 2.371 2.196 2.618 . 0 0 "[ . 1 . 2]" 1
856 1 81 GLN HG2 1 91 THR HB . . 5.500 4.984 3.550 5.557 0.057 13 0 "[ . 1 . 2]" 1
857 1 81 GLN HB3 1 91 THR HB . . 4.390 3.892 3.060 4.557 0.167 1 0 "[ . 1 . 2]" 1
858 1 84 LEU HB3 1 91 THR HB . . 5.500 4.125 3.633 4.895 . 0 0 "[ . 1 . 2]" 1
859 1 91 THR HB 1 92 LEU QB . . 4.100 4.169 3.874 4.821 0.721 9 2 "[ . +1 .- 2]" 1
860 1 81 GLN QE 1 91 THR HB . . 3.320 2.958 1.968 3.746 0.426 4 0 "[ . 1 . 2]" 1
861 1 91 THR HB 1 92 LEU H . . 3.280 2.376 2.039 2.893 . 0 0 "[ . 1 . 2]" 1
862 1 38 CYS HA 1 39 THR HA . . 5.200 4.758 4.703 4.858 . 0 0 "[ . 1 . 2]" 1
863 1 90 SER HB2 1 91 THR H . . 3.940 3.530 2.059 4.164 0.224 3 0 "[ . 1 . 2]" 1
864 1 90 SER HB3 1 91 THR H . . 3.940 3.505 2.500 4.109 0.169 3 0 "[ . 1 . 2]" 1
865 1 54 ILE MD 1 77 LEU HG . . 3.270 3.682 3.552 3.800 0.530 5 3 "[- + 1 *. 2]" 1
866 1 77 LEU HG 1 81 GLN HA . . 5.430 5.601 5.355 5.753 0.323 2 0 "[ . 1 . 2]" 1
867 1 77 LEU HG 1 81 GLN QE . . 4.800 3.660 2.695 4.172 . 0 0 "[ . 1 . 2]" 1
868 1 74 ASP HA 1 77 LEU MD1 . . 5.500 5.420 5.125 5.597 0.097 17 0 "[ . 1 . 2]" 1
869 1 77 LEU MD1 1 78 ASP H . . 5.500 4.745 4.606 4.885 . 0 0 "[ . 1 . 2]" 1
870 1 41 LEU MD2 1 50 LEU HB2 . . 3.810 4.074 3.392 4.349 0.539 12 3 "[ . 1 + . *- 2]" 1
871 1 42 ILE QG 1 47 LEU HA . . 5.500 4.426 4.085 4.732 . 0 0 "[ . 1 . 2]" 1
872 1 42 ILE QG 1 84 LEU HA . . 5.500 4.193 3.817 4.734 . 0 0 "[ . 1 . 2]" 1
873 1 42 ILE H 1 42 ILE QG . . 4.180 2.332 2.224 2.529 . 0 0 "[ . 1 . 2]" 1
874 1 32 LEU HB2 1 32 LEU MD1 . . 3.330 2.375 2.345 2.405 . 0 0 "[ . 1 . 2]" 1
875 1 77 LEU HA 1 77 LEU MD2 . . 3.920 3.956 3.930 3.993 0.073 1 0 "[ . 1 . 2]" 1
876 1 74 ASP HA 1 77 LEU MD2 . . 5.500 3.753 3.463 4.081 . 0 0 "[ . 1 . 2]" 1
877 1 32 LEU H 1 32 LEU MD1 . . 4.310 3.706 3.557 3.841 . 0 0 "[ . 1 . 2]" 1
878 1 77 LEU MD2 1 78 ASP H . . 5.500 4.126 3.878 4.383 . 0 0 "[ . 1 . 2]" 1
879 1 15 LEU HB3 1 16 LEU MD2 . . 5.410 2.969 2.258 3.429 . 0 0 "[ . 1 . 2]" 1
880 1 4 ALA HA 1 16 LEU MD2 . . 4.930 4.746 4.400 5.106 0.176 8 0 "[ . 1 . 2]" 1
881 1 92 LEU QB 1 92 LEU MD2 . . 2.970 2.337 2.232 2.445 . 0 0 "[ . 1 . 2]" 1
882 1 92 LEU HA 1 92 LEU MD2 . . 3.260 2.775 2.017 3.441 0.181 5 0 "[ . 1 . 2]" 1
883 1 41 LEU MD2 1 50 LEU HA . . 4.060 3.129 2.906 3.484 . 0 0 "[ . 1 . 2]" 1
884 1 84 LEU H 1 84 LEU MD2 . . 4.450 4.227 3.697 4.372 . 0 0 "[ . 1 . 2]" 1
885 1 49 LYS HA 1 52 LEU HG . . 4.910 3.430 2.904 3.892 . 0 0 "[ . 1 . 2]" 1
886 1 52 LEU HA 1 52 LEU HG . . 4.270 3.147 2.966 3.280 . 0 0 "[ . 1 . 2]" 1
887 1 46 ASP HA 1 47 LEU HG . . 4.880 4.435 4.172 4.713 . 0 0 "[ . 1 . 2]" 1
888 1 47 LEU H 1 47 LEU HG . . 3.450 2.598 2.466 2.877 . 0 0 "[ . 1 . 2]" 1
889 1 47 LEU HG 1 48 GLU H . . 5.500 4.732 4.318 4.878 . 0 0 "[ . 1 . 2]" 1
890 1 55 LYS HG2 1 94 VAL HB . . 5.080 5.023 4.037 6.077 0.997 15 3 "[ - * 1 + 2]" 1
891 1 52 LEU HG 1 53 VAL H . . 4.440 4.392 4.299 4.480 0.040 13 0 "[ . 1 . 2]" 1
892 1 84 LEU H 1 84 LEU HG . . 5.090 3.925 2.807 4.541 . 0 0 "[ . 1 . 2]" 1
893 1 35 VAL MG2 1 80 VAL HB . . 5.500 5.402 4.996 5.980 0.480 19 0 "[ . 1 . 2]" 1
894 1 80 VAL HB 1 81 GLN H . . 4.120 2.660 2.480 2.831 . 0 0 "[ . 1 . 2]" 1
895 1 70 ASN QB 1 71 MET HG3 . . 4.560 4.088 2.696 5.084 0.524 12 4 "[ *- . * 1 + . 2]" 1
896 1 69 TRP HA 1 70 ASN QB . . 5.480 5.355 5.124 5.521 0.041 20 0 "[ . 1 . 2]" 1
897 1 70 ASN QB 1 71 MET H . . 3.610 2.649 2.342 2.865 . 0 0 "[ . 1 . 2]" 1
898 1 21 THR MG 1 60 LEU MD2 . . 3.500 2.818 2.346 3.364 . 0 0 "[ . 1 . 2]" 1
899 1 21 THR MG 1 60 LEU MD1 . . 4.280 3.944 3.467 4.392 0.112 1 0 "[ . 1 . 2]" 1
900 1 20 ILE MG 1 21 THR MG . . 3.910 3.387 3.072 3.934 0.024 12 0 "[ . 1 . 2]" 1
901 1 17 ARG QG 1 21 THR MG . . 3.440 2.618 2.393 2.865 . 0 0 "[ . 1 . 2]" 1
902 1 21 THR H 1 21 THR MG . . 3.550 2.411 2.311 2.531 . 0 0 "[ . 1 . 2]" 1
903 1 57 MET QB 1 61 MET ME . . 5.440 3.318 2.026 4.061 . 0 0 "[ . 1 . 2]" 1
904 1 27 MET H 1 27 MET HG3 . . 4.350 2.523 2.352 2.815 . 0 0 "[ . 1 . 2]" 1
905 1 70 ASN QB 1 71 MET HG2 . . 4.560 3.952 3.105 4.602 0.042 4 0 "[ . 1 . 2]" 1
906 1 71 MET H 1 71 MET HG2 . . 3.890 3.091 2.257 3.700 . 0 0 "[ . 1 . 2]" 1
907 1 71 MET HG2 1 72 ALA H . . 4.770 4.735 4.169 5.102 0.332 9 0 "[ . 1 . 2]" 1
908 1 27 MET H 1 27 MET HG2 . . 4.350 3.446 3.225 3.715 . 0 0 "[ . 1 . 2]" 1
909 1 93 LYS HA 1 93 LYS QD . . 4.440 4.189 3.714 4.607 0.167 10 0 "[ . 1 . 2]" 1
910 1 58 LYS QB 1 58 LYS QD . . 3.340 2.379 2.165 2.762 . 0 0 "[ . 1 . 2]" 1
911 1 55 LYS HA 1 58 LYS QD . . 4.490 3.799 3.218 4.817 0.327 4 0 "[ . 1 . 2]" 1
912 1 58 LYS QD 1 59 ARG H . . 5.130 4.573 3.495 5.212 0.082 2 0 "[ . 1 . 2]" 1
913 1 93 LYS QD 1 94 VAL H . . 5.090 4.089 2.288 5.302 0.212 15 0 "[ . 1 . 2]" 1
914 1 10 ASN HA 1 13 LYS HD3 . . 5.000 3.939 2.182 4.609 . 0 0 "[ . 1 . 2]" 1
915 1 10 ASN HA 1 13 LYS HD2 . . 5.000 4.013 1.943 5.071 0.071 5 0 "[ . 1 . 2]" 1
916 1 32 LEU HB2 1 32 LEU MD2 . . 3.350 3.255 3.241 3.262 . 0 0 "[ . 1 . 2]" 1
917 1 32 LEU HB3 1 32 LEU MD2 . . 2.960 2.452 2.403 2.491 . 0 0 "[ . 1 . 2]" 1
918 1 32 LEU MD2 1 35 VAL HB . . 4.240 3.706 3.146 4.098 . 0 0 "[ . 1 . 2]" 1
919 1 82 VAL MG2 1 85 GLN QG . . 4.520 4.544 4.099 4.796 0.276 15 0 "[ . 1 . 2]" 1
920 1 32 LEU HA 1 32 LEU MD2 . . 2.800 2.050 1.979 2.112 . 0 0 "[ . 1 . 2]" 1
921 1 32 LEU H 1 32 LEU MD2 . . 3.890 3.435 3.286 3.588 . 0 0 "[ . 1 . 2]" 1
922 1 92 LEU QB 1 92 LEU MD1 . . 2.970 2.374 2.283 2.502 . 0 0 "[ . 1 . 2]" 1
923 1 84 LEU MD1 1 91 THR HA . . 4.590 2.362 1.787 4.221 . 0 0 "[ . 1 . 2]" 1
924 1 84 LEU H 1 84 LEU MD1 . . 4.450 4.080 3.694 4.232 . 0 0 "[ . 1 . 2]" 1
925 1 32 LEU HA 1 32 LEU HG . . 4.060 3.107 2.981 3.195 . 0 0 "[ . 1 . 2]" 1
926 1 20 ILE MG 1 60 LEU HG . . 5.180 4.878 4.623 5.075 . 0 0 "[ . 1 . 2]" 1
927 1 59 ARG QB 1 60 LEU HG . . 4.580 3.145 2.817 3.526 . 0 0 "[ . 1 . 2]" 1
928 1 20 ILE MG 1 60 LEU MD2 . . 4.570 4.128 3.978 4.411 . 0 0 "[ . 1 . 2]" 1
929 1 60 LEU QB 1 60 LEU MD2 . . 3.190 2.374 2.340 2.427 . 0 0 "[ . 1 . 2]" 1
930 1 17 ARG QG 1 60 LEU MD2 . . 3.630 1.932 1.791 2.302 . 0 0 "[ . 1 . 2]" 1
931 1 59 ARG QB 1 60 LEU MD2 . . 4.010 3.366 3.033 3.638 . 0 0 "[ . 1 . 2]" 1
932 1 17 ARG HB3 1 60 LEU MD2 . . 4.160 4.038 3.729 4.392 0.232 9 0 "[ . 1 . 2]" 1
933 1 60 LEU MD2 1 63 GLN QB . . 4.500 3.510 3.134 3.870 . 0 0 "[ . 1 . 2]" 1
934 1 17 ARG HB2 1 60 LEU MD2 . . 3.930 2.873 2.433 3.203 . 0 0 "[ . 1 . 2]" 1
935 1 17 ARG HA 1 60 LEU MD2 . . 2.990 2.668 2.343 3.033 0.043 2 0 "[ . 1 . 2]" 1
936 1 60 LEU H 1 60 LEU MD2 . . 3.930 3.304 3.017 3.487 . 0 0 "[ . 1 . 2]" 1
937 1 20 ILE MG 1 60 LEU MD1 . . 4.170 3.733 3.457 3.994 . 0 0 "[ . 1 . 2]" 1
938 1 20 ILE MD 1 60 LEU MD1 . . 3.870 2.100 1.985 2.276 . 0 0 "[ . 1 . 2]" 1
939 1 16 LEU MD1 1 60 LEU MD1 . . 5.090 4.813 4.253 5.334 0.244 2 0 "[ . 1 . 2]" 1
940 1 16 LEU MD2 1 60 LEU MD1 . . 5.090 5.283 5.085 5.650 0.560 2 1 "[ + . 1 . 2]" 1
941 1 20 ILE HB 1 60 LEU MD1 . . 3.930 3.111 2.812 3.354 . 0 0 "[ . 1 . 2]" 1
942 1 17 ARG QG 1 60 LEU MD1 . . 3.880 3.199 2.871 3.573 . 0 0 "[ . 1 . 2]" 1
943 1 17 ARG HB2 1 60 LEU MD1 . . 4.260 2.599 2.395 2.801 . 0 0 "[ . 1 . 2]" 1
944 1 17 ARG HD3 1 60 LEU MD1 . . 4.830 4.895 4.696 5.093 0.263 14 0 "[ . 1 . 2]" 1
945 1 17 ARG HB3 1 60 LEU MD1 . . 4.230 3.884 3.758 4.014 . 0 0 "[ . 1 . 2]" 1
946 1 56 TYR QD 1 60 LEU MD1 . . 3.970 2.484 2.069 2.962 . 0 0 "[ . 1 . 2]" 1
947 1 17 ARG H 1 60 LEU MD1 . . 4.280 3.366 3.229 3.570 . 0 0 "[ . 1 . 2]" 1
948 1 41 LEU MD1 1 50 LEU HB2 . . 3.810 2.091 1.863 2.273 . 0 0 "[ . 1 . 2]" 1
949 1 41 LEU MD1 1 50 LEU HA . . 4.060 2.373 2.168 2.951 . 0 0 "[ . 1 . 2]" 1
950 1 50 LEU HA 1 50 LEU MD2 . . 4.030 2.630 2.035 3.920 . 0 0 "[ . 1 . 2]" 1
951 1 41 LEU MD1 1 50 LEU H . . 4.120 2.664 2.387 3.082 . 0 0 "[ . 1 . 2]" 1
952 1 13 LYS QE 1 52 LEU QD . . 4.510 3.636 1.879 4.607 0.097 20 0 "[ . 1 . 2]" 1
953 1 52 LEU QD 1 55 LYS QE . . 5.050 3.831 2.170 4.780 . 0 0 "[ . 1 . 2]" 1
954 1 12 VAL QG 1 37 TYR QD . . 4.160 3.447 2.796 3.897 . 0 0 "[ . 1 . 2]" 1
955 1 47 LEU QD 1 50 LEU HB3 . . 3.760 3.092 2.794 3.934 0.174 5 0 "[ . 1 . 2]" 1
956 1 47 LEU HB3 1 47 LEU QD . . 3.090 2.175 2.161 2.190 . 0 0 "[ . 1 . 2]" 1
957 1 47 LEU QD 1 50 LEU HB2 . . 3.690 3.091 2.720 4.100 0.410 5 0 "[ . 1 . 2]" 1
958 1 42 ILE QG 1 47 LEU QD . . 3.830 2.931 2.503 3.376 . 0 0 "[ . 1 . 2]" 1
959 1 45 LYS HA 1 47 LEU QD . . 4.300 3.864 3.048 4.774 0.474 12 0 "[ . 1 . 2]" 1
960 1 47 LEU HA 1 47 LEU QD . . 2.900 2.010 1.952 2.072 . 0 0 "[ . 1 . 2]" 1
961 1 47 LEU QD 1 88 TYR QE . . 3.640 2.395 2.089 2.612 . 0 0 "[ . 1 . 2]" 1
962 1 47 LEU QD 1 88 TYR QD . . 4.280 2.762 2.483 3.110 . 0 0 "[ . 1 . 2]" 1
963 1 47 LEU H 1 47 LEU QD . . 3.510 3.197 3.007 3.402 . 0 0 "[ . 1 . 2]" 1
964 1 45 LYS H 1 47 LEU QD . . 5.080 4.940 4.344 5.527 0.447 12 0 "[ . 1 . 2]" 1
965 1 47 LEU HB2 1 47 LEU QD . . 3.040 2.351 2.300 2.419 . 0 0 "[ . 1 . 2]" 1
966 1 84 LEU HB3 1 91 THR MG . . 5.110 2.282 1.757 3.374 . 0 0 "[ . 1 . 2]" 1
967 1 84 LEU HB3 1 84 LEU MD1 . . 3.530 2.566 2.330 3.254 . 0 0 "[ . 1 . 2]" 1
968 1 84 LEU HB3 1 84 LEU MD2 . . 3.530 2.485 2.357 2.618 . 0 0 "[ . 1 . 2]" 1
969 1 81 GLN HA 1 84 LEU HB3 . . 3.710 3.003 2.236 4.368 0.658 1 1 "[+ . 1 . 2]" 1
970 1 84 LEU HB3 1 91 THR HA . . 4.120 2.977 2.181 3.810 . 0 0 "[ . 1 . 2]" 1
971 1 84 LEU HB3 1 85 GLN H . . 3.770 2.899 2.592 3.477 . 0 0 "[ . 1 . 2]" 1
972 1 84 LEU H 1 84 LEU HB3 . . 3.430 3.001 2.385 3.553 0.123 5 0 "[ . 1 . 2]" 1
973 1 28 GLU H 1 28 GLU HG2 . . 5.390 4.489 3.854 4.653 . 0 0 "[ . 1 . 2]" 1
974 1 28 GLU H 1 28 GLU HG3 . . 5.390 4.404 3.386 4.567 . 0 0 "[ . 1 . 2]" 1
975 1 21 THR MG 1 63 GLN QB . . 5.100 3.406 2.454 4.147 . 0 0 "[ . 1 . 2]" 1
976 1 33 GLN QB 1 36 LYS QG . . 5.500 4.858 4.190 5.620 0.120 2 0 "[ . 1 . 2]" 1
977 1 81 GLN HB2 1 82 VAL H . . 5.220 2.891 2.494 3.148 . 0 0 "[ . 1 . 2]" 1
978 1 50 LEU HB3 1 54 ILE HG12 . . 5.100 5.056 4.513 5.424 0.324 3 0 "[ . 1 . 2]" 1
979 1 77 LEU HB3 1 78 ASP H . . 4.390 2.463 2.285 2.689 . 0 0 "[ . 1 . 2]" 1
980 1 46 ASP HA 1 47 LEU HB2 . . 4.970 4.644 4.458 4.804 . 0 0 "[ . 1 . 2]" 1
981 1 20 ILE MG 1 61 MET HG2 . . 4.870 2.681 2.169 3.801 . 0 0 "[ . 1 . 2]" 1
982 1 61 MET HG2 1 69 TRP HE3 . . 5.500 2.892 2.185 4.794 . 0 0 "[ . 1 . 2]" 1
983 1 61 MET HG2 1 73 PHE HD1 . . 5.500 4.778 3.663 5.373 . 0 0 "[ . 1 . 2]" 1
984 1 13 LYS HB3 1 13 LYS QE . . 4.320 2.939 2.008 4.097 . 0 0 "[ . 1 . 2]" 1
985 1 52 LEU HB2 1 53 VAL H . . 4.720 2.495 2.338 2.629 . 0 0 "[ . 1 . 2]" 1
986 1 71 MET HA 1 71 MET HG3 . . 3.810 3.423 2.993 3.818 0.008 11 0 "[ . 1 . 2]" 1
987 1 71 MET H 1 71 MET HG3 . . 3.890 3.073 2.328 3.826 . 0 0 "[ . 1 . 2]" 1
988 1 71 MET HG3 1 72 ALA H . . 4.770 4.667 4.294 5.136 0.366 6 0 "[ . 1 . 2]" 1
989 1 81 GLN HA 1 83 VAL HB . . 5.410 5.234 4.834 5.527 0.117 11 0 "[ . 1 . 2]" 1
990 1 68 VAL HB 1 69 TRP H . . 4.480 4.023 3.977 4.078 . 0 0 "[ . 1 . 2]" 1
991 1 21 THR MG 1 60 LEU QB . . 4.370 3.339 2.769 3.871 . 0 0 "[ . 1 . 2]" 1
992 1 17 ARG QG 1 60 LEU QB . . 4.950 4.037 3.856 4.253 . 0 0 "[ . 1 . 2]" 1
993 1 49 LYS QE 1 49 LYS QG . . 3.350 2.321 2.174 2.818 . 0 0 "[ . 1 . 2]" 1
994 1 49 LYS QE 1 52 LEU QD . . 5.010 3.500 2.120 4.422 . 0 0 "[ . 1 . 2]" 1
995 1 9 PHE QD 1 49 LYS QE . . 4.240 2.915 1.796 3.800 . 0 0 "[ . 1 . 2]" 1
996 1 53 VAL MG1 1 54 ILE MD . . 3.380 3.012 2.797 3.316 . 0 0 "[ . 1 . 2]" 1
997 1 53 VAL MG1 1 54 ILE HG12 . . 3.390 2.508 2.258 2.858 . 0 0 "[ . 1 . 2]" 1
998 1 50 LEU HB2 1 53 VAL MG1 . . 4.260 4.241 3.962 4.429 0.169 7 0 "[ . 1 . 2]" 1
999 1 53 VAL MG1 1 57 MET ME . . 3.030 2.814 2.129 3.631 0.601 17 2 "[ . - . + 2]" 1
1000 1 53 VAL MG1 1 54 ILE HB . . 3.920 3.950 3.598 4.267 0.347 5 0 "[ . 1 . 2]" 1
1001 1 53 VAL MG1 1 57 MET QB . . 5.010 4.347 4.038 4.683 . 0 0 "[ . 1 . 2]" 1
1002 1 38 CYS HB3 1 53 VAL MG1 . . 4.200 3.017 2.637 3.498 . 0 0 "[ . 1 . 2]" 1
1003 1 37 TYR QD 1 53 VAL MG1 . . 4.010 3.701 3.284 4.092 0.082 4 0 "[ . 1 . 2]" 1
1004 1 22 THR H 1 22 THR MG . . 3.620 2.767 2.395 3.922 0.302 7 0 "[ . 1 . 2]" 1
1005 1 39 THR HA 1 83 VAL MG2 . . 4.500 4.092 3.473 4.739 0.239 10 0 "[ . 1 . 2]" 1
1006 1 39 THR HB 1 83 VAL MG2 . . 4.940 4.366 4.090 4.672 . 0 0 "[ . 1 . 2]" 1
1007 1 83 VAL H 1 83 VAL MG2 . . 3.820 2.150 2.077 2.258 . 0 0 "[ . 1 . 2]" 1
1008 1 83 VAL MG2 1 84 LEU H . . 4.080 3.912 3.792 3.979 . 0 0 "[ . 1 . 2]" 1
1009 1 81 GLN HB3 1 91 THR MG . . 4.700 2.160 1.921 2.567 . 0 0 "[ . 1 . 2]" 1
1010 1 81 GLN HB3 1 82 VAL H . . 4.460 3.761 3.456 4.010 . 0 0 "[ . 1 . 2]" 1
1011 1 35 VAL H 1 35 VAL HB . . 3.750 2.646 2.556 2.759 . 0 0 "[ . 1 . 2]" 1
1012 1 35 VAL HB 1 36 LYS H . . 4.090 2.487 2.294 2.759 . 0 0 "[ . 1 . 2]" 1
1013 1 26 PRO QG 1 31 ILE MD . . 5.320 2.380 1.844 3.222 . 0 0 "[ . 1 . 2]" 1
1014 1 65 VAL HB 1 66 GLU H . . 4.580 4.378 4.213 4.627 0.047 5 0 "[ . 1 . 2]" 1
1015 1 31 ILE HB 1 32 LEU HB3 . . 5.500 5.833 5.678 6.008 0.508 11 1 "[ . 1+ . 2]" 1
1016 1 29 GLU HA 1 32 LEU HB3 . . 5.010 4.480 3.666 5.015 0.005 4 0 "[ . 1 . 2]" 1
1017 1 32 LEU H 1 32 LEU HB3 . . 4.030 3.615 3.584 3.649 . 0 0 "[ . 1 . 2]" 1
1018 1 93 LYS H 1 93 LYS HB2 . . 3.980 3.582 2.401 3.768 . 0 0 "[ . 1 . 2]" 1
1019 1 34 VAL H 1 34 VAL MG2 . . 4.040 2.086 1.957 2.212 . 0 0 "[ . 1 . 2]" 1
1020 1 34 VAL MG2 1 35 VAL H . . 4.090 3.792 3.601 3.949 . 0 0 "[ . 1 . 2]" 1
1021 1 7 VAL H 1 7 VAL MG1 . . 3.900 3.750 2.840 3.977 0.077 17 0 "[ . 1 . 2]" 1
1022 1 7 VAL H 1 7 VAL MG2 . . 3.900 2.433 2.038 2.842 . 0 0 "[ . 1 . 2]" 1
1023 1 20 ILE MG 1 60 LEU QB . . 4.620 2.343 2.165 2.595 . 0 0 "[ . 1 . 2]" 1
1024 1 48 GLU HA 1 48 GLU HG2 . . 3.910 3.098 2.568 3.791 . 0 0 "[ . 1 . 2]" 1
1025 1 48 GLU HG2 1 49 LYS H . . 4.670 4.316 2.367 5.021 0.351 4 0 "[ . 1 . 2]" 1
1026 1 31 ILE MG 1 76 ILE MG . . 3.750 4.213 4.063 4.334 0.584 16 9 "[ * * *1 * .+-***]" 1
1027 1 31 ILE MG 1 72 ALA MB . . 3.680 2.753 2.241 3.392 . 0 0 "[ . 1 . 2]" 1
1028 1 31 ILE MG 1 32 LEU HG . . 3.920 3.873 3.515 4.316 0.396 7 0 "[ . 1 . 2]" 1
1029 1 31 ILE MG 1 76 ILE HG13 . . 3.600 2.329 2.064 2.666 . 0 0 "[ . 1 . 2]" 1
1030 1 31 ILE MG 1 34 VAL HB . . 4.650 4.181 3.832 4.531 . 0 0 "[ . 1 . 2]" 1
1031 1 31 ILE MG 1 76 ILE HA . . 4.480 4.175 3.677 4.532 0.052 19 0 "[ . 1 . 2]" 1
1032 1 31 ILE MG 1 32 LEU HA . . 4.230 3.481 3.251 3.670 . 0 0 "[ . 1 . 2]" 1
1033 1 31 ILE MG 1 75 PHE HD2 . . 3.350 2.397 2.029 2.915 . 0 0 "[ . 1 . 2]" 1
1034 1 31 ILE H 1 31 ILE MG . . 4.060 3.803 3.775 3.830 . 0 0 "[ . 1 . 2]" 1
1035 1 58 LYS QB 1 73 PHE HD1 . . 4.700 4.725 4.165 5.010 0.310 15 0 "[ . 1 . 2]" 1
1036 1 38 CYS HB3 1 80 VAL MG1 . . 4.370 2.190 2.046 2.482 . 0 0 "[ . 1 . 2]" 1
1037 1 38 CYS HB3 1 42 ILE MD . . 4.770 4.181 3.825 4.433 . 0 0 "[ . 1 . 2]" 1
1038 1 61 MET HB2 1 73 PHE HA . . 5.430 4.846 4.238 6.111 0.681 1 1 "[+ . 1 . 2]" 1
1039 1 88 TYR H 1 88 TYR HB2 . . 4.130 2.450 2.362 2.601 . 0 0 "[ . 1 . 2]" 1
1040 1 82 VAL HA 1 82 VAL MG2 . . 2.920 2.401 2.328 2.450 . 0 0 "[ . 1 . 2]" 1
1041 1 82 VAL H 1 82 VAL MG2 . . 3.910 2.306 2.068 2.540 . 0 0 "[ . 1 . 2]" 1
1042 1 20 ILE MG 1 26 PRO QB . . 5.320 5.356 5.063 5.772 0.452 10 0 "[ . 1 . 2]" 1
1043 1 26 PRO QB 1 69 TRP HD1 . . 5.500 6.041 5.455 6.282 0.782 7 15 "[****-*+**1* ***** 2]" 1
1044 1 45 LYS HA 1 45 LYS HG3 . . 4.010 3.356 2.461 3.920 . 0 0 "[ . 1 . 2]" 1
1045 1 45 LYS H 1 45 LYS HG3 . . 4.350 4.038 2.916 4.598 0.248 8 0 "[ . 1 . 2]" 1
1046 1 51 ASP QB 1 52 LEU HG . . 4.340 3.335 2.961 3.550 . 0 0 "[ . 1 . 2]" 1
1047 1 51 ASP QB 1 52 LEU QD . . 4.330 3.621 3.364 3.887 . 0 0 "[ . 1 . 2]" 1
1048 1 51 ASP QB 1 92 LEU QB . . 4.580 3.914 3.193 4.579 . 0 0 "[ . 1 . 2]" 1
1049 1 51 ASP H 1 51 ASP QB . . 3.200 2.235 2.157 2.432 . 0 0 "[ . 1 . 2]" 1
1050 1 37 TYR QD 1 53 VAL HB . . 4.750 4.521 3.889 5.102 0.352 4 0 "[ . 1 . 2]" 1
1051 1 53 VAL H 1 53 VAL HB . . 3.400 2.555 2.488 2.617 . 0 0 "[ . 1 . 2]" 1
1052 1 33 GLN QB 1 34 VAL HA . . 4.580 3.940 3.665 4.161 . 0 0 "[ . 1 . 2]" 1
1053 1 78 ASP HB3 1 79 ASN H . . 3.860 2.284 2.192 2.467 . 0 0 "[ . 1 . 2]" 1
1054 1 78 ASP H 1 78 ASP HB3 . . 3.430 2.595 2.483 2.741 . 0 0 "[ . 1 . 2]" 1
1055 1 83 VAL HB 1 84 LEU HB2 . . 5.150 4.316 4.039 4.742 . 0 0 "[ . 1 . 2]" 1
1056 1 31 ILE MD 1 31 ILE MG . . 2.910 2.028 1.994 2.061 . 0 0 "[ . 1 . 2]" 1
1057 1 26 PRO QB 1 31 ILE MD . . 3.650 2.807 1.758 3.485 . 0 0 "[ . 1 . 2]" 1
1058 1 31 ILE MD 1 72 ALA MB . . 3.290 2.395 2.167 2.662 . 0 0 "[ . 1 . 2]" 1
1059 1 31 ILE HB 1 31 ILE MD . . 3.320 2.485 2.460 2.506 . 0 0 "[ . 1 . 2]" 1
1060 1 31 ILE H 1 31 ILE MD . . 4.210 3.595 3.479 3.689 . 0 0 "[ . 1 . 2]" 1
1061 1 31 ILE MD 1 32 LEU H . . 4.670 4.660 4.524 4.775 0.105 8 0 "[ . 1 . 2]" 1
1062 1 82 VAL HB 1 83 VAL H . . 3.640 2.609 2.459 2.820 . 0 0 "[ . 1 . 2]" 1
1063 1 65 VAL HA 1 65 VAL MG1 . . 3.260 2.967 2.372 3.284 0.024 18 0 "[ . 1 . 2]" 1
1064 1 65 VAL H 1 65 VAL MG2 . . 4.080 3.284 2.019 3.895 . 0 0 "[ . 1 . 2]" 1
1065 1 65 VAL MG2 1 66 GLU H . . 4.270 3.819 2.879 4.324 0.054 13 0 "[ . 1 . 2]" 1
1066 1 45 LYS H 1 45 LYS HG2 . . 4.350 3.586 2.865 4.706 0.356 16 0 "[ . 1 . 2]" 1
1067 1 61 MET HB3 1 73 PHE HB2 . . 4.610 2.482 1.888 3.471 . 0 0 "[ . 1 . 2]" 1
1068 1 39 THR MG 1 83 VAL MG1 . . 3.490 1.813 1.754 1.988 . 0 0 "[ . 1 . 2]" 1
1069 1 39 THR MG 1 83 VAL MG2 . . 3.490 2.468 1.987 2.976 . 0 0 "[ . 1 . 2]" 1
1070 1 39 THR MG 1 83 VAL HB . . 3.690 3.460 2.459 3.917 0.227 1 0 "[ . 1 . 2]" 1
1071 1 39 THR MG 1 43 GLU HG3 . . 4.230 2.971 2.492 3.730 . 0 0 "[ . 1 . 2]" 1
1072 1 39 THR MG 1 43 GLU HG2 . . 4.450 3.456 2.538 4.056 . 0 0 "[ . 1 . 2]" 1
1073 1 39 THR HA 1 39 THR MG . . 3.090 2.506 2.459 2.549 . 0 0 "[ . 1 . 2]" 1
1074 1 39 THR H 1 39 THR MG . . 4.030 3.806 3.785 3.833 . 0 0 "[ . 1 . 2]" 1
1075 1 9 PHE QB 1 49 LYS QG . . 4.880 4.419 3.195 4.928 0.048 11 0 "[ . 1 . 2]" 1
1076 1 34 VAL MG1 1 35 VAL H . . 4.090 3.664 3.521 3.914 . 0 0 "[ . 1 . 2]" 1
1077 1 31 ILE QG 1 72 ALA MB . . 4.010 2.525 2.154 3.079 . 0 0 "[ . 1 . 2]" 1
1078 1 61 MET ME 1 72 ALA MB . . 4.170 3.293 2.626 4.134 . 0 0 "[ . 1 . 2]" 1
1079 1 69 TRP HE3 1 72 ALA MB . . 3.620 3.013 2.362 3.558 . 0 0 "[ . 1 . 2]" 1
1080 1 69 TRP H 1 72 ALA MB . . 5.110 4.404 4.282 4.589 . 0 0 "[ . 1 . 2]" 1
1081 1 70 ASN H 1 72 ALA MB . . 5.500 4.484 4.304 4.617 . 0 0 "[ . 1 . 2]" 1
1082 1 72 ALA H 1 72 ALA MB . . 3.240 2.289 2.263 2.332 . 0 0 "[ . 1 . 2]" 1
1083 1 81 GLN HB2 1 91 THR MG . . 3.850 3.649 3.388 4.000 0.150 1 0 "[ . 1 . 2]" 1
1084 1 85 GLN QG 1 91 THR MG . . 3.790 2.113 1.854 2.609 . 0 0 "[ . 1 . 2]" 1
1085 1 81 GLN HA 1 91 THR MG . . 3.330 2.717 2.262 3.264 . 0 0 "[ . 1 . 2]" 1
1086 1 42 ILE MD 1 42 ILE MG . . 3.490 1.994 1.960 2.039 . 0 0 "[ . 1 . 2]" 1
1087 1 39 THR MG 1 42 ILE MD . . 3.280 3.419 3.045 3.587 0.307 2 0 "[ . 1 . 2]" 1
1088 1 42 ILE MD 1 84 LEU HB2 . . 3.480 2.765 2.004 3.714 0.234 19 0 "[ . 1 . 2]" 1
1089 1 42 ILE MD 1 84 LEU HG . . 3.990 2.717 1.824 4.472 0.482 13 0 "[ . 1 . 2]" 1
1090 1 38 CYS HB2 1 42 ILE MD . . 4.380 4.745 4.419 5.006 0.626 5 4 "[ + - 1* . *]" 1
1091 1 42 ILE MD 1 80 VAL HA . . 4.070 3.315 3.045 3.830 . 0 0 "[ . 1 . 2]" 1
1092 1 38 CYS HA 1 42 ILE MD . . 4.310 4.866 4.738 5.017 0.707 16 12 "[ ** * 1****-+** *]" 1
1093 1 39 THR HA 1 42 ILE MD . . 3.170 2.206 2.026 2.355 . 0 0 "[ . 1 . 2]" 1
1094 1 42 ILE MD 1 84 LEU HA . . 3.940 2.736 2.459 3.249 . 0 0 "[ . 1 . 2]" 1
1095 1 39 THR HB 1 42 ILE MD . . 5.260 4.851 4.647 5.013 . 0 0 "[ . 1 . 2]" 1
1096 1 42 ILE MD 1 81 GLN HA . . 5.500 4.200 3.812 4.774 . 0 0 "[ . 1 . 2]" 1
1097 1 42 ILE MD 1 83 VAL H . . 4.940 4.439 4.060 4.804 . 0 0 "[ . 1 . 2]" 1
1098 1 42 ILE H 1 42 ILE MD . . 3.550 3.729 3.686 3.802 0.252 15 0 "[ . 1 . 2]" 1
1099 1 42 ILE MD 1 43 GLU H . . 4.730 4.711 4.515 4.807 0.077 19 0 "[ . 1 . 2]" 1
1100 1 93 LYS H 1 93 LYS HB3 . . 3.980 2.635 2.420 3.229 . 0 0 "[ . 1 . 2]" 1
1101 1 78 ASP HB2 1 79 ASN H . . 3.910 3.707 3.618 3.805 . 0 0 "[ . 1 . 2]" 1
1102 1 78 ASP H 1 78 ASP HB2 . . 3.290 2.515 2.386 2.637 . 0 0 "[ . 1 . 2]" 1
1103 1 45 LYS QE 1 45 LYS HG2 . . 3.870 2.807 2.355 3.572 . 0 0 "[ . 1 . 2]" 1
1104 1 31 ILE HB 1 32 LEU HG . . 4.020 3.499 3.256 3.764 . 0 0 "[ . 1 . 2]" 1
1105 1 60 LEU HA 1 63 GLN QG . . 4.010 3.821 2.117 4.347 0.337 5 0 "[ . 1 . 2]" 1
1106 1 63 GLN H 1 63 GLN QG . . 4.070 3.822 2.292 4.122 0.052 14 0 "[ . 1 . 2]" 1
1107 1 85 GLN QG 1 86 GLN H . . 5.500 4.213 4.060 4.375 . 0 0 "[ . 1 . 2]" 1
1108 1 59 ARG QB 1 59 ARG HD3 . . 3.660 2.587 2.334 3.363 . 0 0 "[ . 1 . 2]" 1
1109 1 48 GLU HG3 1 49 LYS H . . 4.670 4.492 4.007 5.042 0.372 7 0 "[ . 1 . 2]" 1
1110 1 61 MET HB3 1 73 PHE HB3 . . 4.610 3.612 3.171 4.169 . 0 0 "[ . 1 . 2]" 1
1111 1 85 GLN H 1 85 GLN QB . . 3.670 2.463 2.360 2.614 . 0 0 "[ . 1 . 2]" 1
1112 1 82 VAL MG1 1 85 GLN QG . . 4.520 4.752 4.244 4.934 0.414 17 0 "[ . 1 . 2]" 1
1113 1 26 PRO QG 1 68 VAL MG1 . . 4.200 3.226 2.592 3.896 . 0 0 "[ . 1 . 2]" 1
1114 1 26 PRO HD3 1 68 VAL MG1 . . 5.740 2.772 2.464 3.105 . 0 0 "[ . 1 . 2]" 1
1115 1 68 VAL HA 1 68 VAL MG1 . . 3.470 3.270 3.253 3.282 . 0 0 "[ . 1 . 2]" 1
1116 1 68 VAL MG1 1 69 TRP HA . . 4.350 3.502 3.354 3.632 . 0 0 "[ . 1 . 2]" 1
1117 1 68 VAL MG1 1 69 TRP HD1 . . 5.500 2.921 2.430 3.518 . 0 0 "[ . 1 . 2]" 1
1118 1 68 VAL MG1 1 69 TRP H . . 4.310 2.218 2.123 2.342 . 0 0 "[ . 1 . 2]" 1
1119 1 68 VAL H 1 68 VAL MG1 . . 3.900 2.101 2.006 2.225 . 0 0 "[ . 1 . 2]" 1
1120 1 28 GLU HB3 1 32 LEU MD1 . . 4.810 4.062 3.128 4.484 . 0 0 "[ . 1 . 2]" 1
1121 1 28 GLU HB3 1 29 GLU HA . . 5.020 4.326 4.200 4.650 . 0 0 "[ . 1 . 2]" 1
1122 1 28 GLU HB3 1 29 GLU H . . 4.790 2.770 2.266 3.872 . 0 0 "[ . 1 . 2]" 1
1123 1 20 ILE MD 1 76 ILE MD . . 4.940 4.727 4.324 4.987 0.047 9 0 "[ . 1 . 2]" 1
1124 1 31 ILE MD 1 76 ILE MD . . 4.490 4.051 3.742 4.337 . 0 0 "[ . 1 . 2]" 1
1125 1 76 ILE MD 1 76 ILE MG . . 2.780 2.055 2.022 2.116 . 0 0 "[ . 1 . 2]" 1
1126 1 31 ILE MG 1 76 ILE MD . . 3.350 2.157 1.895 2.592 . 0 0 "[ . 1 . 2]" 1
1127 1 72 ALA MB 1 76 ILE MD . . 3.570 2.785 2.585 3.067 . 0 0 "[ . 1 . 2]" 1
1128 1 76 ILE HB 1 76 ILE MD . . 3.180 2.454 2.427 2.486 . 0 0 "[ . 1 . 2]" 1
1129 1 34 VAL HB 1 76 ILE MD . . 3.710 2.149 1.862 2.442 . 0 0 "[ . 1 . 2]" 1
1130 1 57 MET QB 1 76 ILE MD . . 5.170 4.820 4.259 5.352 0.182 10 0 "[ . 1 . 2]" 1
1131 1 76 ILE HA 1 76 ILE MD . . 3.960 3.921 3.904 3.943 . 0 0 "[ . 1 . 2]" 1
1132 1 31 ILE HA 1 76 ILE MD . . 4.240 2.467 2.030 2.886 . 0 0 "[ . 1 . 2]" 1
1133 1 75 PHE HD2 1 76 ILE MD . . 4.730 4.263 3.790 4.725 . 0 0 "[ . 1 . 2]" 1
1134 1 69 TRP HE3 1 76 ILE MD . . 4.160 4.568 4.118 5.039 0.879 16 8 "[ * ** * 1- *+ *]" 1
1135 1 73 PHE HD1 1 76 ILE MD . . 4.580 4.285 3.755 4.945 0.365 10 0 "[ . 1 . 2]" 1
1136 1 35 VAL H 1 76 ILE MD . . 5.130 3.973 3.703 4.407 . 0 0 "[ . 1 . 2]" 1
1137 1 12 VAL HB 1 13 LYS H . . 4.370 2.580 2.382 2.729 . 0 0 "[ . 1 . 2]" 1
1138 1 35 VAL MG1 1 79 ASN HB2 . . 3.590 2.415 2.065 2.720 . 0 0 "[ . 1 . 2]" 1
1139 1 32 LEU HA 1 35 VAL MG1 . . 4.280 4.117 3.755 4.448 0.168 10 0 "[ . 1 . 2]" 1
1140 1 80 VAL H 1 80 VAL MG1 . . 4.110 3.790 3.739 3.828 . 0 0 "[ . 1 . 2]" 1
1141 1 6 ALA MB 1 12 VAL HB . . 4.410 4.201 4.020 4.375 . 0 0 "[ . 1 . 2]" 1
1142 1 44 GLU H 1 44 GLU HG2 . . 4.090 3.370 2.415 3.884 . 0 0 "[ . 1 . 2]" 1
1143 1 33 GLN H 1 33 GLN HG3 . . 4.130 3.083 2.374 4.356 0.226 12 0 "[ . 1 . 2]" 1
1144 1 42 ILE HB 1 43 GLU H . . 4.070 2.689 2.462 2.863 . 0 0 "[ . 1 . 2]" 1
1145 1 42 ILE MG 1 43 GLU HG2 . . 5.210 4.138 3.427 4.502 . 0 0 "[ . 1 . 2]" 1
1146 1 8 GLU H 1 8 GLU HG3 . . 3.970 2.980 2.086 4.437 0.467 9 0 "[ . 1 . 2]" 1
1147 1 77 LEU HG 1 81 GLN HG2 . . 4.970 2.573 2.214 2.920 . 0 0 "[ . 1 . 2]" 1
1148 1 92 LEU QB 1 94 VAL HB . . 4.670 4.692 3.032 5.099 0.429 3 0 "[ . 1 . 2]" 1
1149 1 94 VAL HB 1 95 THR H . . 4.540 3.730 2.816 4.506 . 0 0 "[ . 1 . 2]" 1
1150 1 55 LYS H 1 94 VAL HB . . 4.700 4.161 3.212 5.067 0.367 4 0 "[ . 1 . 2]" 1
1151 1 15 LEU HB3 1 16 LEU MD1 . . 5.410 4.553 4.124 4.966 . 0 0 "[ . 1 . 2]" 1
1152 1 42 ILE QG 1 50 LEU HB3 . . 5.500 4.454 4.189 4.695 . 0 0 "[ . 1 . 2]" 1
1153 1 47 LEU HB2 1 50 LEU HB3 . . 5.120 4.751 4.489 5.442 0.322 5 0 "[ . 1 . 2]" 1
1154 1 85 GLN QB 1 86 GLN HG2 . . 3.910 3.529 3.295 3.806 . 0 0 "[ . 1 . 2]" 1
1155 1 82 VAL HA 1 86 GLN HG2 . . 5.220 4.226 4.054 4.437 . 0 0 "[ . 1 . 2]" 1
1156 1 26 PRO QG 1 68 VAL MG2 . . 4.200 2.448 2.023 3.037 . 0 0 "[ . 1 . 2]" 1
1157 1 26 PRO HD3 1 68 VAL MG2 . . 5.740 3.397 3.018 3.797 . 0 0 "[ . 1 . 2]" 1
1158 1 68 VAL HA 1 68 VAL MG2 . . 3.470 2.389 2.358 2.436 . 0 0 "[ . 1 . 2]" 1
1159 1 68 VAL MG2 1 69 TRP HA . . 4.350 3.875 3.685 3.997 . 0 0 "[ . 1 . 2]" 1
1160 1 25 ASP HA 1 68 VAL MG2 . . 4.190 3.280 2.606 4.481 0.291 20 0 "[ . 1 . 2]" 1
1161 1 68 VAL MG2 1 69 TRP HD1 . . 5.500 5.130 4.739 5.631 0.131 7 0 "[ . 1 . 2]" 1
1162 1 68 VAL MG2 1 69 TRP H . . 4.310 3.749 3.604 3.866 . 0 0 "[ . 1 . 2]" 1
1163 1 68 VAL H 1 68 VAL MG2 . . 3.900 3.816 3.787 3.844 . 0 0 "[ . 1 . 2]" 1
1164 1 35 VAL MG2 1 79 ASN HB3 . . 4.550 4.061 3.369 4.767 0.217 2 0 "[ . 1 . 2]" 1
1165 1 35 VAL MG1 1 79 ASN HB3 . . 3.760 2.525 2.198 3.001 . 0 0 "[ . 1 . 2]" 1
1166 1 79 ASN HB3 1 80 VAL HA . . 4.430 4.315 4.069 4.512 0.082 2 0 "[ . 1 . 2]" 1
1167 1 17 ARG HB2 1 17 ARG HD2 . . 4.140 2.501 2.392 2.707 . 0 0 "[ . 1 . 2]" 1
1168 1 17 ARG HB3 1 17 ARG HD2 . . 3.970 3.231 3.119 3.398 . 0 0 "[ . 1 . 2]" 1
1169 1 17 ARG HD2 1 21 THR MG . . 4.900 4.721 4.356 5.048 0.148 6 0 "[ . 1 . 2]" 1
1170 1 17 ARG HD2 1 60 LEU HG . . 5.500 5.225 5.057 5.517 0.017 17 0 "[ . 1 . 2]" 1
1171 1 17 ARG HD2 1 60 LEU MD2 . . 4.550 2.716 2.475 2.864 . 0 0 "[ . 1 . 2]" 1
1172 1 17 ARG HD2 1 60 LEU MD1 . . 4.780 3.914 3.534 4.476 . 0 0 "[ . 1 . 2]" 1
1173 1 54 ILE MD 1 54 ILE MG . . 2.790 2.133 2.056 2.192 . 0 0 "[ . 1 . 2]" 1
1174 1 53 VAL MG1 1 54 ILE MG . . 4.640 4.519 4.392 4.755 0.115 5 0 "[ . 1 . 2]" 1
1175 1 54 ILE HG12 1 54 ILE MG . . 3.250 3.257 3.248 3.266 0.016 4 0 "[ . 1 . 2]" 1
1176 1 54 ILE HG13 1 54 ILE MG . . 3.340 2.421 2.373 2.486 . 0 0 "[ . 1 . 2]" 1
1177 1 54 ILE MG 1 94 VAL HB . . 4.050 3.277 2.020 4.306 0.256 4 0 "[ . 1 . 2]" 1
1178 1 54 ILE MG 1 57 MET QB . . 5.090 4.452 4.126 4.860 . 0 0 "[ . 1 . 2]" 1
1179 1 51 ASP HA 1 54 ILE MG . . 4.250 4.285 3.784 4.681 0.431 1 0 "[ . 1 . 2]" 1
1180 1 54 ILE MG 1 55 LYS H . . 3.920 3.008 2.765 3.173 . 0 0 "[ . 1 . 2]" 1
1181 1 54 ILE MG 1 57 MET H . . 5.500 5.226 4.983 5.406 . 0 0 "[ . 1 . 2]" 1
1182 1 54 ILE MG 1 58 LYS H . . 5.500 4.443 4.282 4.606 . 0 0 "[ . 1 . 2]" 1
1183 1 92 LEU QB 1 94 VAL QG . . 3.160 2.085 1.786 2.589 . 0 0 "[ . 1 . 2]" 1
1184 1 12 VAL QG 1 49 LYS QG . . 4.300 4.366 3.455 5.098 0.798 10 4 "[- . * + . *2]" 1
1185 1 49 LYS QG 1 52 LEU QD . . 4.470 3.856 2.915 4.621 0.151 20 0 "[ . 1 . 2]" 1
1186 1 9 PHE QD 1 49 LYS QG . . 5.170 2.752 1.769 3.615 . 0 0 "[ . 1 . 2]" 1
1187 1 7 VAL MG2 1 8 GLU H . . 4.600 3.430 1.831 3.803 . 0 0 "[ . 1 . 2]" 1
1188 1 20 ILE MD 1 20 ILE MG . . 3.190 2.018 1.983 2.041 . 0 0 "[ . 1 . 2]" 1
1189 1 20 ILE MD 1 60 LEU QB . . 3.240 2.156 2.018 2.318 . 0 0 "[ . 1 . 2]" 1
1190 1 20 ILE MD 1 61 MET HB2 . . 5.110 4.413 4.219 5.165 0.055 1 0 "[ . 1 . 2]" 1
1191 1 20 ILE MD 1 59 ARG QB . . 5.500 5.963 5.734 6.100 0.600 7 8 "[ * +-** **. *]" 1
1192 1 20 ILE MD 1 61 MET ME . . 4.090 2.293 2.092 2.439 . 0 0 "[ . 1 . 2]" 1
1193 1 20 ILE MD 1 61 MET HG2 . . 4.100 2.596 2.309 3.298 . 0 0 "[ . 1 . 2]" 1
1194 1 20 ILE HA 1 20 ILE MD . . 4.030 3.888 3.834 3.919 . 0 0 "[ . 1 . 2]" 1
1195 1 20 ILE MD 1 57 MET QB . . 4.940 3.817 3.226 4.245 . 0 0 "[ . 1 . 2]" 1
1196 1 17 ARG HA 1 20 ILE MD . . 4.380 3.503 3.153 3.984 . 0 0 "[ . 1 . 2]" 1
1197 1 20 ILE MD 1 69 TRP HE3 . . 4.550 3.982 3.481 4.464 . 0 0 "[ . 1 . 2]" 1
1198 1 20 ILE MD 1 61 MET HG3 . . 4.100 2.552 2.023 4.316 0.216 1 0 "[ . 1 . 2]" 1
1199 1 20 ILE MG 1 61 MET HG3 . . 4.870 3.283 2.548 4.757 . 0 0 "[ . 1 . 2]" 1
1200 1 61 MET HG3 1 69 TRP HE3 . . 5.500 4.162 3.772 4.721 . 0 0 "[ . 1 . 2]" 1
1201 1 61 MET HG3 1 73 PHE HD1 . . 5.500 3.853 2.260 4.483 . 0 0 "[ . 1 . 2]" 1
1202 1 92 LEU QB 1 93 LYS HA . . 5.500 4.605 4.364 5.098 . 0 0 "[ . 1 . 2]" 1
1203 1 92 LEU H 1 92 LEU QB . . 3.640 2.335 2.159 2.577 . 0 0 "[ . 1 . 2]" 1
1204 1 55 LYS HB2 1 55 LYS QE . . 4.100 2.680 2.200 3.871 . 0 0 "[ . 1 . 2]" 1
1205 1 42 ILE MG 1 47 LEU QD . . 3.340 3.032 2.685 3.527 0.187 15 0 "[ . 1 . 2]" 1
1206 1 42 ILE MG 1 84 LEU HB2 . . 4.870 4.185 3.351 4.975 0.105 1 0 "[ . 1 . 2]" 1
1207 1 42 ILE MG 1 84 LEU HG . . 5.290 3.549 2.830 4.898 . 0 0 "[ . 1 . 2]" 1
1208 1 42 ILE HA 1 42 ILE MG . . 3.110 2.559 2.494 2.668 . 0 0 "[ . 1 . 2]" 1
1209 1 42 ILE MG 1 84 LEU HA . . 3.510 2.664 2.258 3.069 . 0 0 "[ . 1 . 2]" 1
1210 1 39 THR HA 1 42 ILE MG . . 4.450 4.041 3.685 4.286 . 0 0 "[ . 1 . 2]" 1
1211 1 42 ILE MG 1 88 TYR QD . . 3.940 2.872 2.517 3.201 . 0 0 "[ . 1 . 2]" 1
1212 1 42 ILE H 1 42 ILE MG . . 3.930 3.851 3.800 3.880 . 0 0 "[ . 1 . 2]" 1
1213 1 42 ILE MG 1 43 GLU H . . 3.920 3.447 3.071 3.664 . 0 0 "[ . 1 . 2]" 1
1214 1 3 LEU HA 1 4 ALA MB . . 4.800 4.136 3.915 4.273 . 0 0 "[ . 1 . 2]" 1
1215 1 4 ALA MB 1 5 GLY H . . 3.770 3.676 3.584 3.762 . 0 0 "[ . 1 . 2]" 1
1216 1 59 ARG H 1 59 ARG HG2 . . 4.570 3.752 3.232 4.560 . 0 0 "[ . 1 . 2]" 1
1217 1 83 VAL MG1 1 86 GLN HG3 . . 5.500 4.727 4.083 5.664 0.164 19 0 "[ . 1 . 2]" 1
1218 1 83 VAL MG2 1 86 GLN HG3 . . 5.500 4.407 3.814 5.390 . 0 0 "[ . 1 . 2]" 1
1219 1 83 VAL HA 1 86 GLN HG3 . . 4.730 3.288 2.832 4.169 . 0 0 "[ . 1 . 2]" 1
1220 1 86 GLN HA 1 86 GLN HG3 . . 3.920 3.815 3.769 3.869 . 0 0 "[ . 1 . 2]" 1
1221 1 14 THR HA 1 17 ARG HB3 . . 4.290 2.890 2.614 3.119 . 0 0 "[ . 1 . 2]" 1
1222 1 28 GLU HB2 1 29 GLU H . . 4.560 3.799 2.899 4.043 . 0 0 "[ . 1 . 2]" 1
1223 1 76 ILE HG12 1 76 ILE MG . . 2.820 2.416 2.384 2.443 . 0 0 "[ . 1 . 2]" 1
1224 1 57 MET ME 1 76 ILE MG . . 3.120 2.422 2.180 2.921 . 0 0 "[ . 1 . 2]" 1
1225 1 34 VAL HB 1 76 ILE MG . . 4.330 2.792 2.307 3.637 . 0 0 "[ . 1 . 2]" 1
1226 1 57 MET QB 1 76 ILE MG . . 5.060 4.425 4.137 4.747 . 0 0 "[ . 1 . 2]" 1
1227 1 76 ILE MG 1 77 LEU HA . . 3.970 3.276 3.098 3.406 . 0 0 "[ . 1 . 2]" 1
1228 1 32 LEU HA 1 76 ILE MG . . 5.220 5.502 5.030 5.783 0.563 7 2 "[ -. + 1 . 2]" 1
1229 1 73 PHE HD1 1 76 ILE MG . . 5.500 4.492 4.088 4.975 . 0 0 "[ . 1 . 2]" 1
1230 1 76 ILE MG 1 79 ASN H . . 5.500 5.115 4.978 5.260 . 0 0 "[ . 1 . 2]" 1
1231 1 35 VAL H 1 76 ILE MG . . 4.200 3.324 3.134 3.599 . 0 0 "[ . 1 . 2]" 1
1232 1 76 ILE MG 1 80 VAL H . . 4.730 4.248 4.095 4.333 . 0 0 "[ . 1 . 2]" 1
1233 1 76 ILE MG 1 77 LEU H . . 3.400 3.127 3.004 3.298 . 0 0 "[ . 1 . 2]" 1
1234 1 6 ALA MB 1 7 VAL HB . . 5.500 5.397 5.031 5.921 0.421 6 0 "[ . 1 . 2]" 1
1235 1 6 ALA MB 1 11 ASP QB . . 3.220 2.483 1.907 3.452 0.232 9 0 "[ . 1 . 2]" 1
1236 1 6 ALA MB 1 11 ASP H . . 4.850 4.641 4.363 5.002 0.152 9 0 "[ . 1 . 2]" 1
1237 1 38 CYS HB2 1 80 VAL MG2 . . 3.910 1.993 1.837 2.118 . 0 0 "[ . 1 . 2]" 1
1238 1 38 CYS HB3 1 80 VAL MG2 . . 4.370 2.741 2.483 2.921 . 0 0 "[ . 1 . 2]" 1
1239 1 80 VAL MG2 1 81 GLN H . . 3.940 3.943 3.854 4.020 0.080 20 0 "[ . 1 . 2]" 1
1240 1 59 ARG QB 1 59 ARG HD2 . . 3.660 2.813 2.365 3.350 . 0 0 "[ . 1 . 2]" 1
1241 1 91 THR H 1 91 THR MG . . 3.940 2.678 2.243 3.387 . 0 0 "[ . 1 . 2]" 1
1242 1 2 ASN HB2 1 3 LEU H . . 4.590 3.082 2.063 4.479 . 0 0 "[ . 1 . 2]" 1
1243 1 42 ILE MG 1 87 THR MG . . 3.080 2.327 2.029 2.613 . 0 0 "[ . 1 . 2]" 1
1244 1 42 ILE HB 1 87 THR MG . . 4.800 4.677 4.295 5.050 0.250 16 0 "[ . 1 . 2]" 1
1245 1 42 ILE QG 1 87 THR MG . . 5.250 5.012 4.776 5.300 0.050 13 0 "[ . 1 . 2]" 1
1246 1 86 GLN HB2 1 87 THR MG . . 5.500 5.333 5.104 5.551 0.051 19 0 "[ . 1 . 2]" 1
1247 1 87 THR MG 1 88 TYR H . . 4.130 3.426 3.213 3.639 . 0 0 "[ . 1 . 2]" 1
1248 1 44 GLU HB2 1 46 ASP H . . 5.010 3.222 2.892 3.890 . 0 0 "[ . 1 . 2]" 1
1249 1 58 LYS QG 1 62 GLN QG . . 4.650 2.611 2.308 3.076 . 0 0 "[ . 1 . 2]" 1
1250 1 38 CYS HB2 1 80 VAL MG1 . . 3.910 2.851 2.557 3.221 . 0 0 "[ . 1 . 2]" 1
1251 1 40 ASP HA 1 43 GLU HG2 . . 5.500 4.201 2.470 5.089 . 0 0 "[ . 1 . 2]" 1
1252 1 50 LEU HB2 1 54 ILE HG12 . . 5.460 5.251 4.887 5.401 . 0 0 "[ . 1 . 2]" 1
1253 1 17 ARG HB2 1 17 ARG HD3 . . 4.110 2.966 2.820 3.109 . 0 0 "[ . 1 . 2]" 1
1254 1 17 ARG HB3 1 17 ARG HD3 . . 4.090 2.625 2.522 2.747 . 0 0 "[ . 1 . 2]" 1
1255 1 17 ARG HD3 1 60 LEU MD2 . . 4.880 3.993 3.762 4.178 . 0 0 "[ . 1 . 2]" 1
1256 1 6 ALA MB 1 12 VAL QG . . 3.050 2.366 2.128 2.566 . 0 0 "[ . 1 . 2]" 1
1257 1 12 VAL QG 1 37 TYR HE2 . . 3.940 2.307 2.111 2.722 . 0 0 "[ . 1 . 2]" 1
1258 1 12 VAL H 1 12 VAL QG . . 3.070 2.157 1.965 2.451 . 0 0 "[ . 1 . 2]" 1
1259 1 12 VAL QG 1 13 LYS H . . 3.650 3.183 3.057 3.271 . 0 0 "[ . 1 . 2]" 1
1260 1 28 GLU HB3 1 31 ILE MD . . 5.360 4.891 4.046 5.732 0.372 17 0 "[ . 1 . 2]" 1
1261 1 44 GLU HB3 1 46 ASP H . . 5.010 4.003 3.620 4.754 . 0 0 "[ . 1 . 2]" 1
1262 1 81 GLN HB3 1 82 VAL HA . . 4.260 4.547 4.274 4.752 0.492 18 0 "[ . 1 . 2]" 1
1263 1 86 GLN H 1 86 GLN HB3 . . 3.850 3.657 3.629 3.703 . 0 0 "[ . 1 . 2]" 1
1264 1 23 ILE MG 1 26 PRO QB . . 3.710 3.318 2.717 4.594 0.884 14 1 "[ . 1 +. 2]" 1
1265 1 23 ILE HA 1 23 ILE MG . . 3.360 2.549 2.449 2.631 . 0 0 "[ . 1 . 2]" 1
1266 1 23 ILE MG 1 25 ASP HA . . 4.530 3.960 3.741 4.308 . 0 0 "[ . 1 . 2]" 1
1267 1 23 ILE MG 1 25 ASP H . . 3.760 2.366 1.997 3.097 . 0 0 "[ . 1 . 2]" 1
1268 1 42 ILE MG 1 87 THR H . . 4.870 4.275 3.913 4.502 . 0 0 "[ . 1 . 2]" 1
1269 1 23 ILE MG 1 27 MET H . . 4.400 4.094 3.585 4.552 0.152 10 0 "[ . 1 . 2]" 1
1270 1 17 ARG H 1 17 ARG HB3 . . 3.670 2.489 2.368 2.573 . 0 0 "[ . 1 . 2]" 1
1271 1 18 GLU HA 1 18 GLU HG2 . . 4.050 3.319 2.515 3.779 . 0 0 "[ . 1 . 2]" 1
1272 1 53 VAL MG2 1 57 MET ME . . 3.430 2.391 1.836 3.513 0.083 17 0 "[ . 1 . 2]" 1
1273 1 38 CYS HB2 1 53 VAL MG2 . . 5.500 4.880 4.479 5.504 0.004 5 0 "[ . 1 . 2]" 1
1274 1 53 VAL MG2 1 54 ILE HB . . 5.500 5.753 5.534 5.972 0.472 6 0 "[ . 1 . 2]" 1
1275 1 37 TYR QB 1 53 VAL MG2 . . 4.230 4.329 3.824 4.890 0.660 4 2 "[ +. 1 . -]" 1
1276 1 38 CYS HB3 1 53 VAL MG2 . . 4.850 4.412 3.813 5.017 0.167 5 0 "[ . 1 . 2]" 1
1277 1 37 TYR HE2 1 53 VAL MG2 . . 3.780 2.849 1.996 3.775 . 0 0 "[ . 1 . 2]" 1
1278 1 37 TYR QD 1 53 VAL MG2 . . 3.650 2.691 2.147 3.481 . 0 0 "[ . 1 . 2]" 1
1279 1 53 VAL H 1 53 VAL MG2 . . 3.810 3.850 3.821 3.871 0.061 5 0 "[ . 1 . 2]" 1
1280 1 55 LYS QE 1 55 LYS HG3 . . 3.880 3.057 2.508 3.547 . 0 0 "[ . 1 . 2]" 1
1281 1 84 LEU HB3 1 85 GLN QG . . 4.580 3.462 3.096 4.278 . 0 0 "[ . 1 . 2]" 1
1282 1 83 VAL HA 1 83 VAL MG1 . . 3.320 2.502 2.441 2.567 . 0 0 "[ . 1 . 2]" 1
1283 1 83 VAL H 1 83 VAL MG1 . . 3.820 3.839 3.827 3.852 0.032 1 0 "[ . 1 . 2]" 1
1284 1 54 ILE MD 1 57 MET ME . . 3.420 2.488 2.114 3.327 . 0 0 "[ . 1 . 2]" 1
1285 1 54 ILE MD 1 80 VAL HB . . 4.180 3.037 2.767 3.371 . 0 0 "[ . 1 . 2]" 1
1286 1 54 ILE MD 1 57 MET QB . . 4.740 3.990 3.692 4.441 . 0 0 "[ . 1 . 2]" 1
1287 1 54 ILE MD 1 77 LEU HA . . 4.030 3.022 2.770 3.366 . 0 0 "[ . 1 . 2]" 1
1288 1 51 ASP HA 1 54 ILE MD . . 5.500 5.486 5.055 5.997 0.497 18 0 "[ . 1 . 2]" 1
1289 1 54 ILE MD 1 91 THR HB . . 5.500 6.027 5.562 6.227 0.727 12 14 "[*** * ** * +*** *- *]" 1
1290 1 55 LYS HB2 1 94 VAL HB . . 4.940 3.784 2.422 5.099 0.159 20 0 "[ . 1 . 2]" 1
1291 1 52 LEU HA 1 55 LYS HB2 . . 5.500 5.471 5.166 5.922 0.422 7 0 "[ . 1 . 2]" 1
1292 1 55 LYS H 1 55 LYS HB2 . . 3.970 3.650 3.613 3.745 . 0 0 "[ . 1 . 2]" 1
1293 1 31 ILE MG 1 35 VAL MG2 . . 3.240 2.934 2.593 3.382 0.142 10 0 "[ . 1 . 2]" 1
1294 1 35 VAL MG2 1 76 ILE HG12 . . 3.370 2.138 1.916 2.541 . 0 0 "[ . 1 . 2]" 1
1295 1 35 VAL MG2 1 76 ILE MG . . 3.040 2.384 2.109 2.673 . 0 0 "[ . 1 . 2]" 1
1296 1 32 LEU HB2 1 35 VAL MG2 . . 5.290 5.116 4.761 5.503 0.213 4 0 "[ . 1 . 2]" 1
1297 1 35 VAL MG2 1 36 LYS QG . . 5.500 4.579 4.271 5.052 . 0 0 "[ . 1 . 2]" 1
1298 1 32 LEU HB3 1 35 VAL MG2 . . 4.810 4.558 4.123 5.030 0.220 4 0 "[ . 1 . 2]" 1
1299 1 35 VAL MG2 1 76 ILE HB . . 5.270 4.018 3.868 4.247 . 0 0 "[ . 1 . 2]" 1
1300 1 35 VAL MG2 1 76 ILE HG13 . . 4.370 3.286 3.010 3.751 . 0 0 "[ . 1 . 2]" 1
1301 1 34 VAL HB 1 35 VAL MG2 . . 3.990 3.423 3.011 3.755 . 0 0 "[ . 1 . 2]" 1
1302 1 35 VAL MG2 1 79 ASN HB2 . . 4.230 3.140 2.545 3.679 . 0 0 "[ . 1 . 2]" 1
1303 1 32 LEU HA 1 35 VAL MG2 . . 3.360 2.571 2.202 2.987 . 0 0 "[ . 1 . 2]" 1
1304 1 34 VAL H 1 35 VAL MG2 . . 4.280 3.993 3.815 4.153 . 0 0 "[ . 1 . 2]" 1
1305 1 35 VAL H 1 35 VAL MG2 . . 3.020 2.080 1.978 2.179 . 0 0 "[ . 1 . 2]" 1
1306 1 35 VAL MG2 1 76 ILE H . . 4.940 4.022 3.712 4.416 . 0 0 "[ . 1 . 2]" 1
1307 1 77 LEU HG 1 81 GLN HG3 . . 4.970 2.918 2.201 4.538 . 0 0 "[ . 1 . 2]" 1
1308 1 81 GLN HG3 1 91 THR HB . . 5.500 4.224 2.216 5.463 . 0 0 "[ . 1 . 2]" 1
1309 1 2 ASN HA 1 2 ASN QD . . 4.330 4.027 3.843 4.363 0.033 4 0 "[ . 1 . 2]" 1
1310 1 2 ASN HA 1 7 VAL QG . . 4.660 2.984 2.116 3.965 . 0 0 "[ . 1 . 2]" 1
1311 1 2 ASN QB 1 3 LEU H . . 4.000 2.922 2.051 3.862 . 0 0 "[ . 1 . 2]" 1
1312 1 2 ASN QB 1 7 VAL HA . . 4.380 3.291 2.200 4.703 0.323 10 0 "[ . 1 . 2]" 1
1313 1 2 ASN QB 1 7 VAL QG . . 3.500 2.196 1.794 3.042 . 0 0 "[ . 1 . 2]" 1
1314 1 2 ASN QD 1 7 VAL QG . . 5.270 3.635 2.372 4.960 . 0 0 "[ . 1 . 2]" 1
1315 1 3 LEU QB 1 16 LEU QD . . 4.890 2.593 1.946 3.275 . 0 0 "[ . 1 . 2]" 1
1316 1 4 ALA H 1 16 LEU QD . . 5.030 3.990 3.729 4.311 . 0 0 "[ . 1 . 2]" 1
1317 1 4 ALA HA 1 5 GLY QA . . 4.510 4.134 3.981 4.214 . 0 0 "[ . 1 . 2]" 1
1318 1 4 ALA MB 1 16 LEU QD . . 3.500 2.078 1.912 2.350 . 0 0 "[ . 1 . 2]" 1
1319 1 5 GLY H 1 16 LEU QD . . 5.410 4.870 4.598 5.169 . 0 0 "[ . 1 . 2]" 1
1320 1 6 ALA H 1 16 LEU QD . . 5.440 3.877 3.393 4.700 . 0 0 "[ . 1 . 2]" 1
1321 1 6 ALA HA 1 7 VAL QG . . 3.820 3.505 3.185 3.733 . 0 0 "[ . 1 . 2]" 1
1322 1 6 ALA MB 1 8 GLU QB . . 5.340 5.028 4.221 5.744 0.404 13 0 "[ . 1 . 2]" 1
1323 1 6 ALA MB 1 16 LEU QD . . 4.370 2.552 2.135 3.277 . 0 0 "[ . 1 . 2]" 1
1324 1 7 VAL H 1 7 VAL QG . . 3.390 2.402 1.995 2.783 . 0 0 "[ . 1 . 2]" 1
1325 1 7 VAL H 1 12 VAL QG . . 4.410 3.794 3.277 4.136 . 0 0 "[ . 1 . 2]" 1
1326 1 7 VAL HA 1 7 VAL QG . . 2.880 2.213 2.188 2.298 . 0 0 "[ . 1 . 2]" 1
1327 1 7 VAL HB 1 8 GLU QG . . 4.650 3.336 2.559 5.209 0.559 10 2 "[ . -+ . 2]" 1
1328 1 7 VAL QG 1 8 GLU H . . 3.450 2.899 1.828 3.270 . 0 0 "[ . 1 . 2]" 1
1329 1 7 VAL QG 1 8 GLU HA . . 3.830 3.384 3.100 3.615 . 0 0 "[ . 1 . 2]" 1
1330 1 7 VAL QG 1 8 GLU QB . . 5.280 4.037 2.585 4.639 . 0 0 "[ . 1 . 2]" 1
1331 1 7 VAL QG 1 8 GLU QG . . 3.810 3.143 1.820 4.837 1.027 10 1 "[ . + . 2]" 1
1332 1 8 GLU H 1 8 GLU QB . . 3.370 2.411 2.079 2.577 . 0 0 "[ . 1 . 2]" 1
1333 1 8 GLU H 1 8 GLU QG . . 3.390 2.539 2.019 3.850 0.460 10 0 "[ . 1 . 2]" 1
1334 1 8 GLU H 1 11 ASP QB . . 4.280 2.803 2.298 3.416 . 0 0 "[ . 1 . 2]" 1
1335 1 8 GLU HA 1 8 GLU QG . . 3.340 2.597 2.423 3.102 . 0 0 "[ . 1 . 2]" 1
1336 1 8 GLU QB 1 10 ASN H . . 4.030 3.446 2.829 3.855 . 0 0 "[ . 1 . 2]" 1
1337 1 8 GLU QB 1 10 ASN HB2 . . 4.820 4.568 3.760 5.073 0.253 7 0 "[ . 1 . 2]" 1
1338 1 8 GLU QB 1 11 ASP QB . . 4.910 2.687 1.900 3.700 . 0 0 "[ . 1 . 2]" 1
1339 1 9 PHE HA 1 12 VAL QG . . 3.210 3.206 2.688 3.426 0.216 1 0 "[ . 1 . 2]" 1
1340 1 9 PHE QB 1 10 ASN QD . . 4.380 3.463 2.104 4.556 0.176 9 0 "[ . 1 . 2]" 1
1341 1 9 PHE QB 1 12 VAL QG . . 4.280 4.577 4.144 4.687 0.407 1 0 "[ . 1 . 2]" 1
1342 1 9 PHE QB 1 49 LYS QE . . 5.180 3.398 1.967 4.409 . 0 0 "[ . 1 . 2]" 1
1343 1 9 PHE QD 1 12 VAL QG . . 4.140 4.638 3.437 4.906 0.766 14 14 "[* * ** *1 **+**-***]" 1
1344 1 10 ASN HA 1 10 ASN QD . . 3.550 3.408 2.522 4.095 0.545 3 3 "[ + . 1 *.- 2]" 1
1345 1 10 ASN HA 1 12 VAL QG . . 4.960 5.090 4.956 5.176 0.216 11 0 "[ . 1 . 2]" 1
1346 1 10 ASN HA 1 13 LYS QG . . 3.740 2.685 1.852 3.420 . 0 0 "[ . 1 . 2]" 1
1347 1 10 ASN HA 1 13 LYS QD . . 4.330 3.390 1.936 4.130 . 0 0 "[ . 1 . 2]" 1
1348 1 10 ASN QD 1 13 LYS QD . . 4.570 4.645 2.502 5.321 0.751 8 6 "[ -* . + 1 * . **]" 1
1349 1 11 ASP H 1 11 ASP QB . . 3.400 2.432 2.212 2.635 . 0 0 "[ . 1 . 2]" 1
1350 1 11 ASP H 1 12 VAL QG . . 4.210 4.097 3.918 4.356 0.146 1 0 "[ . 1 . 2]" 1
1351 1 11 ASP QB 1 12 VAL QG . . 4.420 3.164 2.785 3.425 . 0 0 "[ . 1 . 2]" 1
1352 1 12 VAL QG 1 13 LYS HA . . 4.330 3.420 3.218 3.650 . 0 0 "[ . 1 . 2]" 1
1353 1 12 VAL QG 1 13 LYS QG . . 3.860 3.679 3.457 4.347 0.487 13 0 "[ . 1 . 2]" 1
1354 1 12 VAL QG 1 34 VAL QG . . 5.380 4.336 4.057 4.558 . 0 0 "[ . 1 . 2]" 1
1355 1 12 VAL QG 1 37 TYR QB . . 5.440 4.475 3.740 4.983 . 0 0 "[ . 1 . 2]" 1
1356 1 12 VAL QG 1 49 LYS QD . . 3.680 3.564 2.974 4.253 0.573 20 2 "[ - . 1 . +]" 1
1357 1 12 VAL QG 1 49 LYS QE . . 3.900 3.080 2.292 4.164 0.264 10 0 "[ . 1 . 2]" 1
1358 1 12 VAL QG 1 53 VAL HA . . 5.440 4.233 3.458 4.917 . 0 0 "[ . 1 . 2]" 1
1359 1 12 VAL QG 1 53 VAL MG2 . . 3.790 2.673 2.211 3.241 . 0 0 "[ . 1 . 2]" 1
1360 1 13 LYS H 1 13 LYS QG . . 3.740 2.239 2.056 2.370 . 0 0 "[ . 1 . 2]" 1
1361 1 13 LYS H 1 13 LYS QD . . 5.050 4.160 3.590 4.383 . 0 0 "[ . 1 . 2]" 1
1362 1 13 LYS HA 1 13 LYS QG . . 3.290 2.515 2.381 3.395 0.105 13 0 "[ . 1 . 2]" 1
1363 1 13 LYS HA 1 13 LYS QD . . 4.150 3.987 2.726 4.506 0.356 13 0 "[ . 1 . 2]" 1
1364 1 13 LYS QG 1 14 THR H . . 4.450 3.969 2.202 4.188 . 0 0 "[ . 1 . 2]" 1
1365 1 13 LYS QD 1 52 LEU QB . . 4.800 3.530 2.574 4.816 0.016 16 0 "[ . 1 . 2]" 1
1366 1 13 LYS QD 1 52 LEU QD . . 4.220 3.191 2.161 4.211 . 0 0 "[ . 1 . 2]" 1
1367 1 13 LYS QD 1 56 TYR HE2 . . 5.340 4.572 3.585 5.624 0.284 13 0 "[ . 1 . 2]" 1
1368 1 14 THR HB 1 15 LEU QD . . 4.720 2.754 2.142 5.110 0.390 8 0 "[ . 1 . 2]" 1
1369 1 14 THR MG 1 15 LEU QD . . 4.520 2.744 2.161 5.018 0.498 8 0 "[ . 1 . 2]" 1
1370 1 14 THR MG 1 18 GLU QG . . 4.390 3.095 2.475 3.954 . 0 0 "[ . 1 . 2]" 1
1371 1 15 LEU H 1 16 LEU QD . . 4.480 3.885 3.742 4.157 . 0 0 "[ . 1 . 2]" 1
1372 1 15 LEU HA 1 15 LEU QD . . 2.970 2.196 1.947 3.024 0.054 8 0 "[ . 1 . 2]" 1
1373 1 15 LEU HA 1 16 LEU QD . . 5.390 4.335 4.177 4.534 . 0 0 "[ . 1 . 2]" 1
1374 1 15 LEU HB2 1 16 LEU QD . . 3.880 2.915 2.379 3.729 . 0 0 "[ . 1 . 2]" 1
1375 1 15 LEU HB3 1 16 LEU QD . . 4.330 2.929 2.250 3.359 . 0 0 "[ . 1 . 2]" 1
1376 1 15 LEU QD 1 18 GLU H . . 5.440 4.819 4.471 5.218 . 0 0 "[ . 1 . 2]" 1
1377 1 16 LEU QD 1 20 ILE MD . . 5.440 3.478 2.582 4.103 . 0 0 "[ . 1 . 2]" 1
1378 1 16 LEU QD 1 34 VAL HA . . 4.250 4.545 4.045 4.897 0.647 19 3 "[- . 1* . +2]" 1
1379 1 16 LEU QD 1 34 VAL QG . . 3.490 2.733 2.330 3.119 . 0 0 "[ . 1 . 2]" 1
1380 1 16 LEU QD 1 37 TYR QB . . 5.440 4.895 4.336 5.264 . 0 0 "[ . 1 . 2]" 1
1381 1 16 LEU QD 1 60 LEU MD1 . . 4.280 4.459 4.049 4.879 0.599 2 3 "[ +* . 1 . -]" 1
1382 1 17 ARG QG 1 18 GLU QB . . 5.340 4.479 3.976 4.967 . 0 0 "[ . 1 . 2]" 1
1383 1 18 GLU H 1 18 GLU QB . . 3.120 2.530 2.383 2.621 . 0 0 "[ . 1 . 2]" 1
1384 1 18 GLU H 1 18 GLU QG . . 3.500 2.140 1.988 2.254 . 0 0 "[ . 1 . 2]" 1
1385 1 18 GLU HA 1 18 GLU QG . . 3.230 3.087 2.406 3.390 0.160 15 0 "[ . 1 . 2]" 1
1386 1 18 GLU QB 1 19 TRP H . . 4.080 2.982 2.368 3.663 . 0 0 "[ . 1 . 2]" 1
1387 1 20 ILE HA 1 20 ILE QG . . 3.730 2.432 2.363 2.484 . 0 0 "[ . 1 . 2]" 1
1388 1 20 ILE MG 1 61 MET QG . . 4.270 2.560 2.056 3.657 . 0 0 "[ . 1 . 2]" 1
1389 1 20 ILE MG 1 68 VAL QG . . 5.440 5.458 5.050 5.970 0.530 20 1 "[ . 1 . +]" 1
1390 1 20 ILE MD 1 57 MET QG . . 3.420 2.781 2.355 3.185 . 0 0 "[ . 1 . 2]" 1
1391 1 20 ILE MD 1 61 MET QG . . 3.450 2.195 1.970 3.199 . 0 0 "[ . 1 . 2]" 1
1392 1 23 ILE MG 1 25 ASP QB . . 4.680 3.777 2.843 4.592 . 0 0 "[ . 1 . 2]" 1
1393 1 25 ASP HA 1 26 PRO QD . . 2.760 2.059 1.973 2.159 . 0 0 "[ . 1 . 2]" 1
1394 1 25 ASP HA 1 68 VAL QG . . 3.570 2.476 1.919 3.459 . 0 0 "[ . 1 . 2]" 1
1395 1 25 ASP QB 1 26 PRO HA . . 5.150 4.896 4.633 5.129 . 0 0 "[ . 1 . 2]" 1
1396 1 26 PRO HA 1 27 MET QG . . 3.920 3.837 3.645 3.957 0.037 13 0 "[ . 1 . 2]" 1
1397 1 26 PRO QB 1 68 VAL QG . . 4.420 3.871 3.435 4.245 . 0 0 "[ . 1 . 2]" 1
1398 1 26 PRO QG 1 68 VAL QG . . 3.300 2.373 1.957 2.936 . 0 0 "[ . 1 . 2]" 1
1399 1 26 PRO QD 1 27 MET H . . 4.960 4.976 4.795 5.028 0.068 8 0 "[ . 1 . 2]" 1
1400 1 26 PRO QD 1 68 VAL HB . . 4.450 4.107 3.927 4.484 0.034 20 0 "[ . 1 . 2]" 1
1401 1 26 PRO QD 1 68 VAL QG . . 3.390 1.925 1.766 2.252 . 0 0 "[ . 1 . 2]" 1
1402 1 26 PRO HD2 1 68 VAL MG1 . . 5.740 2.442 2.121 3.190 . 0 0 "[ . 1 . 2]" 1
1403 1 26 PRO HD2 1 68 VAL MG2 . . 5.740 2.152 1.841 2.822 . 0 0 "[ . 1 . 2]" 1
1404 1 28 GLU H 1 28 GLU QG . . 4.610 3.958 3.193 4.103 . 0 0 "[ . 1 . 2]" 1
1405 1 28 GLU HA 1 28 GLU QG . . 3.390 2.650 2.440 3.052 . 0 0 "[ . 1 . 2]" 1
1406 1 28 GLU QG 1 31 ILE MD . . 4.320 3.898 2.875 5.025 0.705 9 2 "[ - . +1 . 2]" 1
1407 1 28 GLU QG 1 32 LEU HG . . 4.300 2.847 2.357 4.934 0.634 12 1 "[ . 1 + . 2]" 1
1408 1 28 GLU QG 1 32 LEU MD1 . . 3.650 2.633 2.083 4.606 0.956 12 2 "[ -. 1 + . 2]" 1
1409 1 29 GLU H 1 29 GLU QB . . 3.670 2.435 2.203 2.697 . 0 0 "[ . 1 . 2]" 1
1410 1 30 ASP HA 1 33 GLN QG . . 4.560 3.384 2.296 4.377 . 0 0 "[ . 1 . 2]" 1
1411 1 31 ILE MG 1 75 PHE QB . . 4.050 3.265 2.750 3.815 . 0 0 "[ . 1 . 2]" 1
1412 1 33 GLN H 1 33 GLN QG . . 3.290 2.883 2.330 3.917 0.627 12 1 "[ . 1 + . 2]" 1
1413 1 33 GLN H 1 34 VAL QG . . 5.240 4.012 3.822 4.169 . 0 0 "[ . 1 . 2]" 1
1414 1 33 GLN HA 1 33 GLN QG . . 2.830 2.428 2.318 2.925 0.095 10 0 "[ . 1 . 2]" 1
1415 1 33 GLN HA 1 33 GLN QE . . 5.340 4.280 2.560 4.971 . 0 0 "[ . 1 . 2]" 1
1416 1 33 GLN HA 1 34 VAL QG . . 5.140 4.778 4.585 4.907 . 0 0 "[ . 1 . 2]" 1
1417 1 33 GLN HA 1 36 LYS QB . . 3.730 2.595 2.043 3.398 . 0 0 "[ . 1 . 2]" 1
1418 1 33 GLN QB 1 34 VAL QG . . 4.980 3.203 2.630 3.639 . 0 0 "[ . 1 . 2]" 1
1419 1 33 GLN QG 1 34 VAL H . . 4.710 4.384 3.830 4.797 0.087 7 0 "[ . 1 . 2]" 1
1420 1 34 VAL H 1 34 VAL QG . . 3.250 2.077 1.951 2.199 . 0 0 "[ . 1 . 2]" 1
1421 1 34 VAL QG 1 35 VAL H . . 3.550 3.313 3.253 3.450 . 0 0 "[ . 1 . 2]" 1
1422 1 34 VAL QG 1 35 VAL HA . . 4.280 3.799 3.600 4.009 . 0 0 "[ . 1 . 2]" 1
1423 1 34 VAL QG 1 37 TYR H . . 4.430 4.490 4.284 4.695 0.265 4 0 "[ . 1 . 2]" 1
1424 1 34 VAL QG 1 37 TYR QB . . 3.900 3.556 3.089 4.018 0.118 20 0 "[ . 1 . 2]" 1
1425 1 19 TRP HH2 1 34 VAL QG . . 4.980 3.180 2.123 5.133 0.153 12 0 "[ . 1 . 2]" 1
1426 1 34 VAL QG 1 38 CYS H . . 4.590 4.006 3.748 4.161 . 0 0 "[ . 1 . 2]" 1
1427 1 34 VAL QG 1 57 MET QG . . 4.390 3.284 2.713 3.627 . 0 0 "[ . 1 . 2]" 1
1428 1 34 VAL QG 1 57 MET ME . . 3.610 2.581 2.091 3.190 . 0 0 "[ . 1 . 2]" 1
1429 1 34 VAL QG 1 76 ILE MG . . 3.100 2.025 1.932 2.403 . 0 0 "[ . 1 . 2]" 1
1430 1 35 VAL HA 1 80 VAL QG . . 3.650 2.409 2.099 2.767 . 0 0 "[ . 1 . 2]" 1
1431 1 35 VAL MG2 1 79 ASN QD . . 4.680 3.851 3.106 4.541 . 0 0 "[ . 1 . 2]" 1
1432 1 36 LYS H 1 36 LYS QB . . 3.140 2.453 2.332 2.564 . 0 0 "[ . 1 . 2]" 1
1433 1 36 LYS H 1 36 LYS QD . . 4.340 3.518 3.154 3.853 . 0 0 "[ . 1 . 2]" 1
1434 1 36 LYS H 1 36 LYS QE . . 5.340 4.611 4.055 5.323 . 0 0 "[ . 1 . 2]" 1
1435 1 36 LYS HA 1 36 LYS QD . . 3.230 2.087 1.928 2.239 . 0 0 "[ . 1 . 2]" 1
1436 1 36 LYS HA 1 36 LYS QE . . 4.370 3.720 2.676 4.156 . 0 0 "[ . 1 . 2]" 1
1437 1 36 LYS QB 1 36 LYS QD . . 3.330 2.570 2.365 2.890 . 0 0 "[ . 1 . 2]" 1
1438 1 36 LYS QB 1 36 LYS QE . . 3.790 3.299 2.069 3.942 0.152 2 0 "[ . 1 . 2]" 1
1439 1 36 LYS QB 1 37 TYR HA . . 4.500 3.948 3.732 4.170 . 0 0 "[ . 1 . 2]" 1
1440 1 36 LYS QE 1 36 LYS QG . . 3.110 2.388 2.187 2.894 . 0 0 "[ . 1 . 2]" 1
1441 1 37 TYR HA 1 40 ASP QB . . 3.390 2.474 2.160 2.946 . 0 0 "[ . 1 . 2]" 1
1442 1 37 TYR QD 1 41 LEU QD . . 4.900 3.143 2.897 3.422 . 0 0 "[ . 1 . 2]" 1
1443 1 37 TYR QD 1 50 LEU QD . . 5.010 5.739 4.691 5.999 0.989 19 19 [****.-************+*] 1
1444 1 38 CYS H 1 41 LEU QD . . 5.280 4.046 3.915 4.262 . 0 0 "[ . 1 . 2]" 1
1445 1 38 CYS H 1 80 VAL QG . . 4.570 3.707 3.512 3.939 . 0 0 "[ . 1 . 2]" 1
1446 1 38 CYS HA 1 41 LEU QD . . 3.240 2.071 1.877 2.338 . 0 0 "[ . 1 . 2]" 1
1447 1 38 CYS HA 1 50 LEU QD . . 3.110 3.401 2.767 3.629 0.519 12 1 "[ . 1 + . 2]" 1
1448 1 38 CYS HA 1 80 VAL QG . . 4.430 3.710 3.580 3.901 . 0 0 "[ . 1 . 2]" 1
1449 1 38 CYS HB2 1 80 VAL QG . . 3.130 1.955 1.810 2.091 . 0 0 "[ . 1 . 2]" 1
1450 1 38 CYS HB3 1 41 LEU QD . . 4.020 3.275 3.122 3.450 . 0 0 "[ . 1 . 2]" 1
1451 1 38 CYS HB3 1 80 VAL QG . . 3.290 2.099 1.977 2.282 . 0 0 "[ . 1 . 2]" 1
1452 1 39 THR H 1 80 VAL QG . . 4.240 3.256 2.798 3.593 . 0 0 "[ . 1 . 2]" 1
1453 1 39 THR HA 1 83 VAL QG . . 3.520 3.110 2.642 3.677 0.157 12 0 "[ . 1 . 2]" 1
1454 1 39 THR MG 1 40 ASP QB . . 5.340 4.505 4.304 5.031 . 0 0 "[ . 1 . 2]" 1
1455 1 39 THR MG 1 83 VAL QG . . 2.900 1.754 1.709 1.846 . 0 0 "[ . 1 . 2]" 1
1456 1 40 ASP H 1 40 ASP QB . . 3.090 2.274 2.216 2.450 . 0 0 "[ . 1 . 2]" 1
1457 1 41 LEU QD 1 42 ILE H . . 3.700 2.322 2.147 2.516 . 0 0 "[ . 1 . 2]" 1
1458 1 41 LEU QD 1 42 ILE HA . . 3.310 3.096 2.895 3.236 . 0 0 "[ . 1 . 2]" 1
1459 1 41 LEU QD 1 42 ILE QG . . 3.460 2.231 2.006 2.644 . 0 0 "[ . 1 . 2]" 1
1460 1 41 LEU QD 1 46 ASP H . . 4.360 4.196 3.848 4.360 . 0 0 "[ . 1 . 2]" 1
1461 1 41 LEU QD 1 47 LEU H . . 4.950 5.023 4.706 5.157 0.207 13 0 "[ . 1 . 2]" 1
1462 1 41 LEU QD 1 47 LEU HA . . 3.660 3.618 3.358 4.077 0.417 4 0 "[ . 1 . 2]" 1
1463 1 41 LEU QD 1 47 LEU QD . . 3.550 3.642 3.377 4.090 0.540 4 1 "[ +. 1 . 2]" 1
1464 1 41 LEU QD 1 49 LYS H . . 5.440 3.979 3.745 4.459 . 0 0 "[ . 1 . 2]" 1
1465 1 41 LEU QD 1 50 LEU HB2 . . 3.090 2.085 1.858 2.265 . 0 0 "[ . 1 . 2]" 1
1466 1 41 LEU QD 1 50 LEU HB3 . . 3.410 3.403 3.247 3.532 0.122 1 0 "[ . 1 . 2]" 1
1467 1 41 LEU QD 1 50 LEU QD . . 3.730 1.908 1.710 2.072 . 0 0 "[ . 1 . 2]" 1
1468 1 41 LEU QD 1 51 ASP H . . 5.150 4.394 4.265 4.592 . 0 0 "[ . 1 . 2]" 1
1469 1 41 LEU QD 1 53 VAL HB . . 4.270 3.375 3.001 4.006 . 0 0 "[ . 1 . 2]" 1
1470 1 42 ILE H 1 50 LEU QD . . 4.580 4.106 3.689 4.357 . 0 0 "[ . 1 . 2]" 1
1471 1 42 ILE QG 1 50 LEU QD . . 3.250 2.225 1.724 2.514 . 0 0 "[ . 1 . 2]" 1
1472 1 42 ILE QG 1 84 LEU QD . . 3.820 3.071 2.182 3.669 . 0 0 "[ . 1 . 2]" 1
1473 1 42 ILE MD 1 80 VAL QG . . 2.740 2.094 1.935 2.476 . 0 0 "[ . 1 . 2]" 1
1474 1 44 GLU H 1 44 GLU QG . . 3.290 2.504 2.321 2.837 . 0 0 "[ . 1 . 2]" 1
1475 1 44 GLU HA 1 44 GLU QG . . 2.940 2.582 2.374 3.014 0.074 11 0 "[ . 1 . 2]" 1
1476 1 44 GLU HA 1 45 LYS QG . . 4.320 3.976 3.028 5.171 0.851 19 5 "[ .-* * .* +2]" 1
1477 1 44 GLU QB 1 46 ASP H . . 4.190 3.094 2.801 3.724 . 0 0 "[ . 1 . 2]" 1
1478 1 44 GLU QB 1 46 ASP QB . . 4.580 3.078 2.657 3.888 . 0 0 "[ . 1 . 2]" 1
1479 1 45 LYS H 1 45 LYS QB . . 3.580 3.403 3.305 3.503 . 0 0 "[ . 1 . 2]" 1
1480 1 45 LYS H 1 45 LYS QG . . 3.820 3.144 2.828 3.696 . 0 0 "[ . 1 . 2]" 1
1481 1 45 LYS H 1 45 LYS QD . . 4.540 3.459 2.190 4.884 0.344 1 0 "[ . 1 . 2]" 1
1482 1 45 LYS HA 1 45 LYS QG . . 3.280 2.776 2.414 3.162 . 0 0 "[ . 1 . 2]" 1
1483 1 45 LYS HA 1 45 LYS QD . . 3.880 2.941 1.997 4.283 0.403 3 0 "[ . 1 . 2]" 1
1484 1 45 LYS QB 1 88 TYR QE . . 5.340 4.117 3.668 4.536 . 0 0 "[ . 1 . 2]" 1
1485 1 45 LYS QE 1 45 LYS QG . . 3.210 2.511 2.167 2.868 . 0 0 "[ . 1 . 2]" 1
1486 1 45 LYS QG 1 46 ASP H . . 5.030 4.726 4.484 5.042 0.012 16 0 "[ . 1 . 2]" 1
1487 1 45 LYS QG 1 88 TYR QE . . 5.070 4.318 2.431 5.288 0.218 12 0 "[ . 1 . 2]" 1
1488 1 46 ASP H 1 46 ASP QB . . 3.080 2.396 2.296 2.669 . 0 0 "[ . 1 . 2]" 1
1489 1 46 ASP QB 1 48 GLU H . . 4.950 4.189 4.016 4.462 . 0 0 "[ . 1 . 2]" 1
1490 1 47 LEU H 1 48 GLU QG . . 5.340 3.860 3.442 5.169 . 0 0 "[ . 1 . 2]" 1
1491 1 47 LEU HG 1 84 LEU QD . . 4.680 4.357 3.946 4.717 0.037 15 0 "[ . 1 . 2]" 1
1492 1 47 LEU QD 1 84 LEU QD . . 2.780 2.089 1.908 2.335 . 0 0 "[ . 1 . 2]" 1
1493 1 48 GLU H 1 48 GLU QB . . 3.450 2.512 2.351 2.690 . 0 0 "[ . 1 . 2]" 1
1494 1 48 GLU H 1 48 GLU QG . . 3.530 2.315 2.095 3.486 . 0 0 "[ . 1 . 2]" 1
1495 1 48 GLU QB 1 49 LYS H . . 3.500 2.410 2.102 3.538 0.038 5 0 "[ . 1 . 2]" 1
1496 1 48 GLU QB 1 51 ASP QB . . 5.340 4.260 3.442 4.924 . 0 0 "[ . 1 . 2]" 1
1497 1 48 GLU QB 1 52 LEU QD . . 4.740 3.498 3.041 3.746 . 0 0 "[ . 1 . 2]" 1
1498 1 48 GLU QG 1 49 LYS H . . 4.100 3.828 2.351 4.475 0.375 7 0 "[ . 1 . 2]" 1
1499 1 49 LYS HA 1 49 LYS QD . . 3.000 2.626 1.933 3.416 0.416 5 0 "[ . 1 . 2]" 1
1500 1 49 LYS HA 1 49 LYS QE . . 5.150 3.192 1.995 4.133 . 0 0 "[ . 1 . 2]" 1
1501 1 49 LYS HA 1 52 LEU QB . . 5.060 2.682 2.235 3.221 . 0 0 "[ . 1 . 2]" 1
1502 1 49 LYS QB 1 50 LEU H . . 3.610 2.793 2.419 3.043 . 0 0 "[ . 1 . 2]" 1
1503 1 49 LYS QB 1 50 LEU QD . . 5.280 4.800 4.462 5.155 . 0 0 "[ . 1 . 2]" 1
1504 1 49 LYS QB 1 52 LEU QD . . 4.540 4.086 3.286 4.819 0.279 7 0 "[ . 1 . 2]" 1
1505 1 49 LYS QD 1 52 LEU QB . . 4.570 3.557 2.221 4.834 0.264 3 0 "[ . 1 . 2]" 1
1506 1 49 LYS QD 1 52 LEU QD . . 4.700 3.552 1.965 4.910 0.210 5 0 "[ . 1 . 2]" 1
1507 1 49 LYS QD 1 53 VAL H . . 4.340 4.269 3.111 5.079 0.739 1 5 "[+ * . - 1 . * *2]" 1
1508 1 50 LEU H 1 50 LEU QD . . 4.600 3.740 3.699 3.776 . 0 0 "[ . 1 . 2]" 1
1509 1 50 LEU HA 1 50 LEU QD . . 2.930 2.067 2.007 2.144 . 0 0 "[ . 1 . 2]" 1
1510 1 50 LEU HB3 1 50 LEU QD . . 2.760 2.313 2.281 2.342 . 0 0 "[ . 1 . 2]" 1
1511 1 50 LEU HB3 1 84 LEU QD . . 4.720 3.954 3.668 4.280 . 0 0 "[ . 1 . 2]" 1
1512 1 50 LEU QD 1 51 ASP QB . . 4.640 4.081 3.399 4.688 0.048 5 0 "[ . 1 . 2]" 1
1513 1 50 LEU QD 1 53 VAL HB . . 4.960 4.808 4.503 5.051 0.091 13 0 "[ . 1 . 2]" 1
1514 1 50 LEU QD 1 53 VAL MG1 . . 3.290 2.536 2.144 2.801 . 0 0 "[ . 1 . 2]" 1
1515 1 50 LEU QD 1 54 ILE HG12 . . 2.970 2.264 2.115 2.600 . 0 0 "[ . 1 . 2]" 1
1516 1 50 LEU QD 1 54 ILE HG13 . . 5.430 2.303 1.941 3.174 . 0 0 "[ . 1 . 2]" 1
1517 1 50 LEU QD 1 84 LEU HB2 . . 4.150 3.781 2.844 4.551 0.401 19 0 "[ . 1 . 2]" 1
1518 1 50 LEU QD 1 84 LEU QD . . 3.040 1.880 1.660 2.006 . 0 0 "[ . 1 . 2]" 1
1519 1 51 ASP H 1 92 LEU QD . . 5.440 3.845 2.962 4.495 . 0 0 "[ . 1 . 2]" 1
1520 1 51 ASP H 1 94 VAL QG . . 5.440 4.613 3.895 5.394 . 0 0 "[ . 1 . 2]" 1
1521 1 51 ASP HA 1 94 VAL QG . . 3.580 2.479 1.706 3.276 . 0 0 "[ . 1 . 2]" 1
1522 1 51 ASP QB 1 92 LEU QD . . 3.880 3.061 2.151 4.514 0.634 9 1 "[ . +1 . 2]" 1
1523 1 52 LEU QB 1 53 VAL H . . 3.870 2.444 2.294 2.572 . 0 0 "[ . 1 . 2]" 1
1524 1 52 LEU QB 1 53 VAL HA . . 4.410 3.731 3.598 3.840 . 0 0 "[ . 1 . 2]" 1
1525 1 52 LEU QB 1 56 TYR QB . . 4.830 3.907 3.697 4.086 . 0 0 "[ . 1 . 2]" 1
1526 1 53 VAL HA 1 56 TYR QB . . 3.140 2.948 2.528 3.395 0.255 18 0 "[ . 1 . 2]" 1
1527 1 53 VAL MG2 1 56 TYR QB . . 4.830 4.115 3.596 4.608 . 0 0 "[ . 1 . 2]" 1
1528 1 54 ILE HB 1 94 VAL QG . . 4.700 2.808 2.169 4.560 . 0 0 "[ . 1 . 2]" 1
1529 1 54 ILE MG 1 77 LEU QD . . 3.020 1.933 1.821 2.013 . 0 0 "[ . 1 . 2]" 1
1530 1 54 ILE MG 1 81 GLN QE . . 3.850 3.002 2.098 4.193 0.343 19 0 "[ . 1 . 2]" 1
1531 1 54 ILE HG12 1 80 VAL QG . . 4.610 3.584 3.197 4.023 . 0 0 "[ . 1 . 2]" 1
1532 1 54 ILE MD 1 80 VAL QG . . 3.020 2.056 1.823 2.445 . 0 0 "[ . 1 . 2]" 1
1533 1 54 ILE MD 1 81 GLN QG . . 4.170 3.553 2.905 4.083 . 0 0 "[ . 1 . 2]" 1
1534 1 54 ILE MD 1 81 GLN QE . . 4.090 3.014 1.883 4.862 0.772 20 2 "[ . 1 . -+]" 1
1535 1 55 LYS HA 1 58 LYS QE . . 5.340 3.422 2.123 5.589 0.249 12 0 "[ . 1 . 2]" 1
1536 1 55 LYS HG2 1 94 VAL QG . . 4.320 3.865 3.357 4.912 0.592 7 1 "[ . + 1 . 2]" 1
1537 1 56 TYR H 1 56 TYR QB . . 3.200 2.270 2.209 2.343 . 0 0 "[ . 1 . 2]" 1
1538 1 56 TYR HA 1 59 ARG QG . . 4.930 3.658 2.856 4.917 . 0 0 "[ . 1 . 2]" 1
1539 1 56 TYR HA 1 59 ARG QD . . 3.550 3.012 1.820 3.924 0.374 18 0 "[ . 1 . 2]" 1
1540 1 56 TYR QB 1 57 MET H . . 3.630 2.521 2.289 2.794 . 0 0 "[ . 1 . 2]" 1
1541 1 57 MET H 1 57 MET QG . . 4.510 3.347 2.437 4.040 . 0 0 "[ . 1 . 2]" 1
1542 1 57 MET H 1 77 LEU QD . . 5.440 5.933 5.615 6.217 0.777 12 12 "[* *** *** + *. * *-]" 1
1543 1 57 MET HA 1 61 MET QG . . 3.520 3.466 3.031 3.860 0.340 12 0 "[ . 1 . 2]" 1
1544 1 57 MET QB 1 61 MET QG . . 3.550 3.677 2.588 4.505 0.955 12 10 "[ **- *** + *. * *2]" 1
1545 1 57 MET QB 1 77 LEU QD . . 4.650 4.301 3.942 4.652 0.002 12 0 "[ . 1 . 2]" 1
1546 1 57 MET QG 1 61 MET H . . 4.980 4.724 4.101 5.203 0.223 18 0 "[ . 1 . 2]" 1
1547 1 57 MET QG 1 61 MET QG . . 5.180 3.266 2.500 4.022 . 0 0 "[ . 1 . 2]" 1
1548 1 57 MET ME 1 77 LEU QD . . 4.010 3.531 2.578 4.753 0.743 12 1 "[ . 1 + . 2]" 1
1549 1 58 LYS H 1 58 LYS QE . . 5.340 4.606 4.058 6.023 0.683 6 4 "[ .+ * 1 - *. 2]" 1
1550 1 58 LYS H 1 61 MET QG . . 4.620 5.000 4.252 5.140 0.520 9 4 "[ . +1* . - *]" 1
1551 1 58 LYS HA 1 61 MET QG . . 4.680 4.242 3.076 4.586 . 0 0 "[ . 1 . 2]" 1
1552 1 59 ARG H 1 59 ARG QG . . 3.880 2.737 2.029 4.031 0.151 18 0 "[ . 1 . 2]" 1
1553 1 59 ARG H 1 59 ARG QD . . 5.200 4.061 3.613 4.800 . 0 0 "[ . 1 . 2]" 1
1554 1 59 ARG HA 1 59 ARG QG . . 2.900 2.458 2.365 2.556 . 0 0 "[ . 1 . 2]" 1
1555 1 59 ARG HA 1 59 ARG QD . . 4.630 4.186 3.997 4.346 . 0 0 "[ . 1 . 2]" 1
1556 1 59 ARG QB 1 59 ARG QD . . 3.180 2.298 2.152 2.441 . 0 0 "[ . 1 . 2]" 1
1557 1 59 ARG QG 1 60 LEU H . . 5.340 4.033 3.506 4.324 . 0 0 "[ . 1 . 2]" 1
1558 1 59 ARG QD 1 60 LEU MD2 . . 4.520 4.397 3.156 5.148 0.628 9 2 "[ . +1 . - 2]" 1
1559 1 60 LEU H 1 61 MET QG . . 4.760 4.309 3.971 4.435 . 0 0 "[ . 1 . 2]" 1
1560 1 60 LEU HA 1 63 GLN QE . . 4.520 4.101 2.688 4.970 0.450 12 0 "[ . 1 . 2]" 1
1561 1 60 LEU MD1 1 61 MET QG . . 5.100 4.334 4.048 4.789 . 0 0 "[ . 1 . 2]" 1
1562 1 61 MET H 1 61 MET QG . . 3.340 2.420 2.109 2.606 . 0 0 "[ . 1 . 2]" 1
1563 1 61 MET HA 1 61 MET QG . . 3.690 2.529 2.363 3.072 . 0 0 "[ . 1 . 2]" 1
1564 1 61 MET HA 1 69 TRP QB . . 3.670 2.774 2.481 3.159 . 0 0 "[ . 1 . 2]" 1
1565 1 61 MET HB2 1 73 PHE QB . . 4.470 2.750 2.290 3.456 . 0 0 "[ . 1 . 2]" 1
1566 1 61 MET HB3 1 69 TRP QB . . 4.770 2.784 2.045 3.345 . 0 0 "[ . 1 . 2]" 1
1567 1 61 MET QG 1 62 GLN HE21 . . 5.300 4.907 4.374 5.252 . 0 0 "[ . 1 . 2]" 1
1568 1 61 MET QG 1 69 TRP HE3 . . 4.640 2.770 2.172 4.237 . 0 0 "[ . 1 . 2]" 1
1569 1 61 MET QG 1 73 PHE HD1 . . 4.760 3.686 2.242 4.233 . 0 0 "[ . 1 . 2]" 1
1570 1 62 GLN HA 1 70 ASN QD . . 5.340 3.460 2.128 4.660 . 0 0 "[ . 1 . 2]" 1
1571 1 63 GLN H 1 63 GLN QE . . 5.340 4.769 3.567 5.239 . 0 0 "[ . 1 . 2]" 1
1572 1 64 SER H 1 64 SER QB . . 3.560 2.439 2.281 2.690 . 0 0 "[ . 1 . 2]" 1
1573 1 64 SER QB 1 65 VAL H . . 4.020 3.645 3.014 3.971 . 0 0 "[ . 1 . 2]" 1
1574 1 64 SER QB 1 66 GLU H . . 4.630 3.300 2.601 4.237 . 0 0 "[ . 1 . 2]" 1
1575 1 64 SER QB 1 66 GLU QB . . 4.750 3.425 2.567 4.519 . 0 0 "[ . 1 . 2]" 1
1576 1 64 SER QB 1 69 TRP QB . . 3.990 2.838 2.193 3.603 . 0 0 "[ . 1 . 2]" 1
1577 1 64 SER QB 1 69 TRP HD1 . . 4.110 3.028 2.372 3.995 . 0 0 "[ . 1 . 2]" 1
1578 1 65 VAL H 1 65 VAL QG . . 3.040 2.045 1.911 2.477 . 0 0 "[ . 1 . 2]" 1
1579 1 65 VAL HA 1 65 VAL QG . . 2.620 2.335 2.295 2.387 . 0 0 "[ . 1 . 2]" 1
1580 1 65 VAL QG 1 66 GLU H . . 3.530 3.114 2.618 3.649 0.119 5 0 "[ . 1 . 2]" 1
1581 1 65 VAL QG 1 66 GLU HA . . 3.550 3.550 3.207 3.977 0.427 20 0 "[ . 1 . 2]" 1
1582 1 65 VAL QG 1 66 GLU QB . . 4.670 4.295 3.558 4.797 0.127 5 0 "[ . 1 . 2]" 1
1583 1 65 VAL QG 1 66 GLU QG . . 4.850 3.877 2.634 4.867 0.017 20 0 "[ . 1 . 2]" 1
1584 1 66 GLU H 1 66 GLU QB . . 3.310 2.475 2.078 2.728 . 0 0 "[ . 1 . 2]" 1
1585 1 66 GLU H 1 66 GLU QG . . 3.860 2.879 1.948 4.293 0.433 8 0 "[ . 1 . 2]" 1
1586 1 66 GLU HA 1 66 GLU QG . . 3.270 2.760 2.332 3.296 0.026 12 0 "[ . 1 . 2]" 1
1587 1 66 GLU HA 1 68 VAL QG . . 5.020 4.080 3.644 4.557 . 0 0 "[ . 1 . 2]" 1
1588 1 66 GLU QB 1 67 SER H . . 3.530 3.252 2.900 3.692 0.162 15 0 "[ . 1 . 2]" 1
1589 1 66 GLU QB 1 68 VAL QG . . 3.590 2.113 1.766 2.900 . 0 0 "[ . 1 . 2]" 1
1590 1 66 GLU QB 1 69 TRP HD1 . . 4.500 1.910 1.707 2.664 . 0 0 "[ . 1 . 2]" 1
1591 1 66 GLU QG 1 68 VAL QG . . 4.220 3.224 1.981 4.012 . 0 0 "[ . 1 . 2]" 1
1592 1 67 SER QB 1 70 ASN H . . 5.330 4.782 4.458 5.017 . 0 0 "[ . 1 . 2]" 1
1593 1 67 SER QB 1 70 ASN QB . . 4.490 3.953 3.407 4.542 0.052 8 0 "[ . 1 . 2]" 1
1594 1 68 VAL HA 1 68 VAL QG . . 3.020 2.333 2.307 2.372 . 0 0 "[ . 1 . 2]" 1
1595 1 68 VAL HA 1 71 MET QG . . 3.970 3.623 3.119 4.282 0.312 9 0 "[ . 1 . 2]" 1
1596 1 68 VAL QG 1 69 TRP H . . 3.720 2.202 2.108 2.324 . 0 0 "[ . 1 . 2]" 1
1597 1 68 VAL QG 1 69 TRP HA . . 3.800 3.254 3.161 3.369 . 0 0 "[ . 1 . 2]" 1
1598 1 68 VAL QG 1 69 TRP HD1 . . 4.290 2.904 2.423 3.484 . 0 0 "[ . 1 . 2]" 1
1599 1 68 VAL QG 1 71 MET QB . . 5.440 3.829 3.474 4.239 . 0 0 "[ . 1 . 2]" 1
1600 1 68 VAL QG 1 72 ALA MB . . 4.520 3.158 2.884 3.390 . 0 0 "[ . 1 . 2]" 1
1601 1 69 TRP H 1 69 TRP QB . . 3.430 2.332 2.288 2.369 . 0 0 "[ . 1 . 2]" 1
1602 1 69 TRP QB 1 70 ASN H . . 4.180 2.919 2.702 3.077 . 0 0 "[ . 1 . 2]" 1
1603 1 69 TRP QB 1 70 ASN QD . . 4.760 3.899 2.482 5.283 0.523 11 1 "[ . 1+ . 2]" 1
1604 1 69 TRP QB 1 72 ALA MB . . 4.480 3.909 3.692 4.113 . 0 0 "[ . 1 . 2]" 1
1605 1 70 ASN H 1 70 ASN QD . . 3.850 3.281 1.986 4.377 0.527 5 1 "[ + 1 . 2]" 1
1606 1 70 ASN HA 1 70 ASN QD . . 3.460 2.404 1.863 3.435 . 0 0 "[ . 1 . 2]" 1
1607 1 70 ASN HA 1 73 PHE QB . . 3.420 2.643 2.362 3.128 . 0 0 "[ . 1 . 2]" 1
1608 1 70 ASN QB 1 71 MET QG . . 3.920 3.287 2.650 3.527 . 0 0 "[ . 1 . 2]" 1
1609 1 71 MET H 1 71 MET QG . . 3.410 2.434 2.239 2.624 . 0 0 "[ . 1 . 2]" 1
1610 1 71 MET HA 1 71 MET QG . . 3.180 2.683 2.398 3.096 . 0 0 "[ . 1 . 2]" 1
1611 1 71 MET HA 1 74 ASP QB . . 4.420 2.459 2.236 2.753 . 0 0 "[ . 1 . 2]" 1
1612 1 71 MET QG 1 72 ALA H . . 4.080 4.120 3.962 4.221 0.141 6 0 "[ . 1 . 2]" 1
1613 1 72 ALA HA 1 75 PHE QB . . 3.130 2.832 2.558 3.143 0.013 1 0 "[ . 1 . 2]" 1
1614 1 72 ALA MB 1 73 PHE QB . . 5.340 3.845 3.647 4.029 . 0 0 "[ . 1 . 2]" 1
1615 1 72 ALA MB 1 75 PHE QB . . 4.600 4.129 3.903 4.330 . 0 0 "[ . 1 . 2]" 1
1616 1 73 PHE H 1 73 PHE QB . . 3.150 2.283 2.246 2.343 . 0 0 "[ . 1 . 2]" 1
1617 1 73 PHE HA 1 77 LEU QD . . 5.170 4.872 4.694 5.086 . 0 0 "[ . 1 . 2]" 1
1618 1 73 PHE QB 1 74 ASP H . . 3.660 2.540 2.392 2.721 . 0 0 "[ . 1 . 2]" 1
1619 1 73 PHE QB 1 76 ILE MD . . 4.380 4.365 3.912 4.699 0.319 10 0 "[ . 1 . 2]" 1
1620 1 74 ASP H 1 74 ASP QB . . 3.350 2.252 2.215 2.273 . 0 0 "[ . 1 . 2]" 1
1621 1 74 ASP HA 1 77 LEU QB . . 3.870 3.078 2.855 3.270 . 0 0 "[ . 1 . 2]" 1
1622 1 74 ASP HA 1 77 LEU QD . . 4.630 3.687 3.417 3.987 . 0 0 "[ . 1 . 2]" 1
1623 1 74 ASP QB 1 75 PHE H . . 3.660 2.577 2.431 2.743 . 0 0 "[ . 1 . 2]" 1
1624 1 74 ASP QB 1 75 PHE HA . . 5.040 4.227 4.099 4.315 . 0 0 "[ . 1 . 2]" 1
1625 1 75 PHE H 1 75 PHE QB . . 3.140 2.250 2.186 2.310 . 0 0 "[ . 1 . 2]" 1
1626 1 75 PHE HA 1 79 ASN QD . . 4.530 3.385 3.092 3.555 . 0 0 "[ . 1 . 2]" 1
1627 1 75 PHE QB 1 76 ILE H . . 3.370 2.362 2.243 2.536 . 0 0 "[ . 1 . 2]" 1
1628 1 75 PHE QB 1 76 ILE HG13 . . 4.760 3.188 3.065 3.312 . 0 0 "[ . 1 . 2]" 1
1629 1 76 ILE HA 1 79 ASN QD . . 4.830 3.833 2.982 4.546 . 0 0 "[ . 1 . 2]" 1
1630 1 76 ILE HB 1 77 LEU QD . . 4.450 4.821 4.638 4.970 0.520 1 1 "[+ . 1 . 2]" 1
1631 1 77 LEU H 1 77 LEU QB . . 3.060 2.226 2.200 2.256 . 0 0 "[ . 1 . 2]" 1
1632 1 77 LEU H 1 77 LEU QD . . 3.840 3.686 3.637 3.723 . 0 0 "[ . 1 . 2]" 1
1633 1 77 LEU HA 1 77 LEU QD . . 2.700 2.226 2.148 2.308 . 0 0 "[ . 1 . 2]" 1
1634 1 77 LEU HA 1 80 VAL QG . . 3.340 3.422 3.157 3.605 0.265 7 0 "[ . 1 . 2]" 1
1635 1 77 LEU HA 1 81 GLN QG . . 4.370 3.560 3.025 4.553 0.183 7 0 "[ . 1 . 2]" 1
1636 1 77 LEU HA 1 81 GLN QE . . 5.340 4.750 3.590 6.027 0.687 19 5 "[ . -* * +*]" 1
1637 1 77 LEU QB 1 78 ASP H . . 3.520 2.428 2.263 2.638 . 0 0 "[ . 1 . 2]" 1
1638 1 77 LEU QB 1 78 ASP HB2 . . 5.290 4.149 3.871 4.418 . 0 0 "[ . 1 . 2]" 1
1639 1 77 LEU QB 1 81 GLN HB2 . . 5.340 5.322 4.769 5.736 0.396 1 0 "[ . 1 . 2]" 1
1640 1 77 LEU QB 1 81 GLN QG . . 4.400 4.060 3.751 4.829 0.429 7 0 "[ . 1 . 2]" 1
1641 1 77 LEU HG 1 80 VAL QG . . 5.040 4.945 4.645 5.228 0.188 1 0 "[ . 1 . 2]" 1
1642 1 77 LEU HG 1 81 GLN QG . . 4.260 2.350 2.117 2.887 . 0 0 "[ . 1 . 2]" 1
1643 1 77 LEU QD 1 78 ASP H . . 4.500 3.885 3.688 4.070 . 0 0 "[ . 1 . 2]" 1
1644 1 77 LEU QD 1 80 VAL HB . . 3.570 3.969 3.634 4.211 0.641 7 7 "[* - . + 1 ** . ** 2]" 1
1645 1 77 LEU QD 1 81 GLN H . . 4.670 4.520 4.287 4.637 . 0 0 "[ . 1 . 2]" 1
1646 1 77 LEU QD 1 81 GLN HB2 . . 5.440 4.467 3.987 4.842 . 0 0 "[ . 1 . 2]" 1
1647 1 77 LEU QD 1 81 GLN QG . . 3.950 2.838 2.486 3.166 . 0 0 "[ . 1 . 2]" 1
1648 1 77 LEU QD 1 81 GLN QE . . 3.150 2.940 2.121 3.551 0.401 10 0 "[ . 1 . 2]" 1
1649 1 78 ASP HA 1 81 GLN QG . . 5.230 3.863 3.112 5.256 0.026 5 0 "[ . 1 . 2]" 1
1650 1 79 ASN H 1 79 ASN QD . . 3.360 2.141 1.821 2.401 . 0 0 "[ . 1 . 2]" 1
1651 1 79 ASN H 1 80 VAL QG . . 4.220 4.135 3.982 4.269 0.049 13 0 "[ . 1 . 2]" 1
1652 1 79 ASN H 1 82 VAL QG . . 4.960 4.336 4.071 4.629 . 0 0 "[ . 1 . 2]" 1
1653 1 79 ASN HA 1 82 VAL QG . . 4.320 3.017 2.514 3.615 . 0 0 "[ . 1 . 2]" 1
1654 1 79 ASN HB2 1 83 VAL QG . . 4.840 4.777 4.526 4.937 0.097 16 0 "[ . 1 . 2]" 1
1655 1 79 ASN HB3 1 83 VAL QG . . 4.300 3.709 3.575 3.834 . 0 0 "[ . 1 . 2]" 1
1656 1 80 VAL H 1 80 VAL QG . . 3.340 2.184 2.039 2.244 . 0 0 "[ . 1 . 2]" 1
1657 1 80 VAL H 1 83 VAL QG . . 4.530 4.507 4.183 4.749 0.219 11 0 "[ . 1 . 2]" 1
1658 1 80 VAL HA 1 80 VAL QG . . 2.530 2.185 2.176 2.195 . 0 0 "[ . 1 . 2]" 1
1659 1 80 VAL HA 1 83 VAL QG . . 3.060 3.046 2.504 3.384 0.324 11 0 "[ . 1 . 2]" 1
1660 1 80 VAL QG 1 81 GLN H . . 3.460 3.181 3.024 3.303 . 0 0 "[ . 1 . 2]" 1
1661 1 80 VAL QG 1 81 GLN QG . . 5.280 3.754 3.275 4.355 . 0 0 "[ . 1 . 2]" 1
1662 1 80 VAL QG 1 81 GLN QE . . 4.090 3.859 2.172 5.092 1.002 20 6 "[ . *1 - ** *+]" 1
1663 1 81 GLN H 1 81 GLN QG . . 3.420 2.596 2.240 3.660 0.240 7 0 "[ . 1 . 2]" 1
1664 1 81 GLN H 1 81 GLN QE . . 5.210 4.424 2.869 5.092 . 0 0 "[ . 1 . 2]" 1
1665 1 81 GLN HA 1 81 GLN QG . . 3.540 2.928 2.538 3.113 . 0 0 "[ . 1 . 2]" 1
1666 1 81 GLN HA 1 84 LEU QD . . 3.880 2.871 2.510 3.249 . 0 0 "[ . 1 . 2]" 1
1667 1 81 GLN HB2 1 82 VAL QG . . 4.610 3.619 3.157 4.158 . 0 0 "[ . 1 . 2]" 1
1668 1 81 GLN HB3 1 82 VAL QG . . 4.800 4.377 3.973 4.604 . 0 0 "[ . 1 . 2]" 1
1669 1 81 GLN HB3 1 84 LEU QD . . 5.440 4.284 3.620 4.891 . 0 0 "[ . 1 . 2]" 1
1670 1 81 GLN QG 1 82 VAL H . . 4.800 4.312 4.072 4.777 . 0 0 "[ . 1 . 2]" 1
1671 1 81 GLN QE 1 84 LEU QD . . 3.880 3.045 2.207 3.737 . 0 0 "[ . 1 . 2]" 1
1672 1 81 GLN QE 1 91 THR HA . . 4.640 4.654 3.847 5.195 0.555 12 3 "[* .- 1 + . 2]" 1
1673 1 81 GLN QE 1 92 LEU H . . 4.240 3.519 2.732 4.342 0.102 1 0 "[ . 1 . 2]" 1
1674 1 81 GLN QE 1 92 LEU QB . . 4.200 3.742 2.418 4.677 0.477 19 0 "[ . 1 . 2]" 1
1675 1 81 GLN QE 1 94 VAL QG . . 5.270 3.942 2.414 5.452 0.182 9 0 "[ . 1 . 2]" 1
1676 1 82 VAL H 1 82 VAL QG . . 2.830 2.287 2.059 2.505 . 0 0 "[ . 1 . 2]" 1
1677 1 82 VAL QG 1 83 VAL H . . 3.730 3.135 2.962 3.291 . 0 0 "[ . 1 . 2]" 1
1678 1 82 VAL QG 1 85 GLN H . . 5.150 4.291 4.130 4.425 . 0 0 "[ . 1 . 2]" 1
1679 1 82 VAL QG 1 85 GLN QB . . 4.610 3.442 3.183 3.775 . 0 0 "[ . 1 . 2]" 1
1680 1 82 VAL QG 1 85 GLN QG . . 3.940 4.131 3.714 4.327 0.387 14 0 "[ . 1 . 2]" 1
1681 1 82 VAL QG 1 85 GLN QE . . 5.010 3.948 2.486 5.722 0.712 6 2 "[ .+ 1 . -2]" 1
1682 1 82 VAL QG 1 86 GLN H . . 5.440 4.132 3.979 4.216 . 0 0 "[ . 1 . 2]" 1
1683 1 82 VAL QG 1 86 GLN HB2 . . 5.440 4.464 4.235 4.913 . 0 0 "[ . 1 . 2]" 1
1684 1 82 VAL QG 1 86 GLN HG2 . . 3.930 2.737 2.476 2.949 . 0 0 "[ . 1 . 2]" 1
1685 1 82 VAL QG 1 86 GLN HG3 . . 4.120 3.217 2.978 3.613 . 0 0 "[ . 1 . 2]" 1
1686 1 82 VAL QG 1 86 GLN QE . . 3.950 2.605 1.919 3.536 . 0 0 "[ . 1 . 2]" 1
1687 1 83 VAL H 1 83 VAL QG . . 2.800 2.139 2.069 2.242 . 0 0 "[ . 1 . 2]" 1
1688 1 83 VAL HA 1 83 VAL QG . . 2.900 2.198 2.179 2.213 . 0 0 "[ . 1 . 2]" 1
1689 1 83 VAL QG 1 84 LEU H . . 3.420 3.264 3.158 3.367 . 0 0 "[ . 1 . 2]" 1
1690 1 83 VAL QG 1 86 GLN HB2 . . 5.440 3.443 3.058 3.988 . 0 0 "[ . 1 . 2]" 1
1691 1 83 VAL QG 1 87 THR H . . 4.790 4.025 3.884 4.133 . 0 0 "[ . 1 . 2]" 1
1692 1 83 VAL QG 1 87 THR MG . . 4.610 4.065 3.638 4.354 . 0 0 "[ . 1 . 2]" 1
1693 1 84 LEU H 1 84 LEU QD . . 3.900 3.694 3.350 3.797 . 0 0 "[ . 1 . 2]" 1
1694 1 84 LEU HA 1 84 LEU QD . . 2.740 2.229 1.913 2.484 . 0 0 "[ . 1 . 2]" 1
1695 1 84 LEU HB3 1 84 LEU QD . . 3.090 2.207 2.148 2.353 . 0 0 "[ . 1 . 2]" 1
1696 1 84 LEU QD 1 87 THR H . . 4.490 4.465 4.223 4.786 0.296 1 0 "[ . 1 . 2]" 1
1697 1 84 LEU QD 1 87 THR HB . . 4.120 3.436 2.857 3.930 . 0 0 "[ . 1 . 2]" 1
1698 1 84 LEU QD 1 88 TYR H . . 4.370 3.365 2.999 3.859 . 0 0 "[ . 1 . 2]" 1
1699 1 84 LEU QD 1 88 TYR HA . . 4.790 4.798 4.427 5.168 0.378 19 0 "[ . 1 . 2]" 1
1700 1 84 LEU QD 1 88 TYR HB3 . . 4.730 3.681 3.263 4.237 . 0 0 "[ . 1 . 2]" 1
1701 1 84 LEU QD 1 88 TYR QD . . 3.440 2.079 1.824 2.472 . 0 0 "[ . 1 . 2]" 1
1702 1 84 LEU QD 1 88 TYR QE . . 3.930 3.459 2.995 4.052 0.122 3 0 "[ . 1 . 2]" 1
1703 1 84 LEU QD 1 91 THR HA . . 3.080 1.870 1.767 2.136 . 0 0 "[ . 1 . 2]" 1
1704 1 84 LEU QD 1 91 THR HB . . 3.950 2.643 2.179 3.482 . 0 0 "[ . 1 . 2]" 1
1705 1 84 LEU QD 1 91 THR MG . . 4.130 2.515 2.093 3.348 . 0 0 "[ . 1 . 2]" 1
1706 1 84 LEU QD 1 92 LEU H . . 4.760 2.165 1.717 2.718 . 0 0 "[ . 1 . 2]" 1
1707 1 84 LEU QD 1 92 LEU QB . . 3.800 3.133 1.906 4.056 0.256 5 0 "[ . 1 . 2]" 1
1708 1 86 GLN H 1 86 GLN QE . . 5.280 3.689 3.025 4.284 . 0 0 "[ . 1 . 2]" 1
1709 1 86 GLN HA 1 86 GLN QE . . 5.170 3.403 2.502 3.928 . 0 0 "[ . 1 . 2]" 1
1710 1 89 GLY HA3 1 90 SER QB . . 4.240 4.218 4.018 4.806 0.566 1 1 "[+ . 1 . 2]" 1
1711 1 90 SER H 1 90 SER QB . . 3.580 2.609 2.364 3.134 . 0 0 "[ . 1 . 2]" 1
1712 1 90 SER HA 1 90 SER QB . . 2.550 2.358 2.211 2.423 . 0 0 "[ . 1 . 2]" 1
1713 1 91 THR HA 1 92 LEU QD . . 4.850 3.454 2.876 5.067 0.217 15 0 "[ . 1 . 2]" 1
1714 1 92 LEU H 1 92 LEU QD . . 5.080 2.468 1.817 3.702 . 0 0 "[ . 1 . 2]" 1
1715 1 92 LEU HA 1 92 LEU QD . . 2.760 2.026 1.972 2.187 . 0 0 "[ . 1 . 2]" 1
1716 1 92 LEU QB 1 92 LEU QD . . 2.490 2.095 2.080 2.106 . 0 0 "[ . 1 . 2]" 1
1717 1 92 LEU QD 1 93 LYS H . . 4.010 3.021 1.805 3.636 . 0 0 "[ . 1 . 2]" 1
1718 1 92 LEU QD 1 93 LYS HA . . 5.440 4.997 3.732 5.353 . 0 0 "[ . 1 . 2]" 1
1719 1 92 LEU QD 1 93 LYS QB . . 4.540 4.564 2.481 5.231 0.691 16 4 "[ * - 1 * .+ 2]" 1
1720 1 92 LEU QD 1 93 LYS QD . . 4.310 4.103 2.914 5.214 0.904 9 7 "[ * *.* *+1-* . 2]" 1
1721 1 93 LYS H 1 93 LYS QG . . 4.520 2.650 1.897 3.993 . 0 0 "[ . 1 . 2]" 1
1722 1 93 LYS HA 1 93 LYS QB . . 2.610 2.202 2.182 2.389 . 0 0 "[ . 1 . 2]" 1
1723 1 93 LYS HA 1 93 LYS QG . . 3.510 3.422 2.537 3.597 0.087 13 0 "[ . 1 . 2]" 1
1724 1 93 LYS HA 1 94 VAL QG . . 5.000 4.169 3.476 4.489 . 0 0 "[ . 1 . 2]" 1
1725 1 93 LYS QB 1 93 LYS QE . . 4.100 2.775 1.963 3.939 . 0 0 "[ . 1 . 2]" 1
1726 1 93 LYS QB 1 94 VAL H . . 4.080 3.697 2.827 4.116 0.036 18 0 "[ . 1 . 2]" 1
1727 1 93 LYS QG 1 94 VAL HA . . 3.730 3.792 3.299 4.753 1.023 7 3 "[ - . + 1 * . 2]" 1
1728 1 93 LYS QG 1 94 VAL QG . . 4.290 3.370 2.220 4.996 0.706 13 2 "[ - . 1 + . 2]" 1
1729 1 19 TRP HZ2 1 23 ILE MG . . 4.000 4.001 3.331 4.894 0.894 17 4 "[ * . 1 - *. + 2]" 1
1730 1 12 VAL QG 1 49 LYS HD3 . . 5.000 4.148 3.043 4.596 . 0 0 "[ . 1 . 2]" 1
1731 1 3 LEU HA 1 33 GLN HG2 . . 4.800 4.977 4.516 5.159 0.359 16 0 "[ . 1 . 2]" 1
1732 1 3 LEU HB3 1 12 VAL QG . . 4.000 2.916 2.379 4.791 0.791 5 1 "[ + 1 . 2]" 1
1733 1 3 LEU H 1 12 VAL QG . . 5.000 3.552 2.950 4.002 . 0 0 "[ . 1 . 2]" 1
1734 1 49 LYS H 1 49 LYS QE . . 5.400 5.260 4.311 5.927 0.527 16 1 "[ . 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 92
_Distance_constraint_stats_list.Viol_count 1274
_Distance_constraint_stats_list.Viol_total 2669.988
_Distance_constraint_stats_list.Viol_max 0.314
_Distance_constraint_stats_list.Viol_rms 0.0705
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0726
_Distance_constraint_stats_list.Viol_average_violations_only 0.1048
_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 3 LEU 4.140 0.217 6 0 "[ . 1 . 2]"
1 6 ALA 4.140 0.217 6 0 "[ . 1 . 2]"
1 9 PHE 7.038 0.270 5 0 "[ . 1 . 2]"
1 10 ASN 2.311 0.202 13 0 "[ . 1 . 2]"
1 11 ASP 1.333 0.149 8 0 "[ . 1 . 2]"
1 12 VAL 3.991 0.212 18 0 "[ . 1 . 2]"
1 13 LYS 11.483 0.270 5 0 "[ . 1 . 2]"
1 14 THR 4.906 0.202 13 0 "[ . 1 . 2]"
1 15 LEU 4.689 0.238 6 0 "[ . 1 . 2]"
1 16 LEU 6.305 0.212 18 0 "[ . 1 . 2]"
1 17 ARG 7.519 0.247 18 0 "[ . 1 . 2]"
1 18 GLU 2.595 0.199 16 0 "[ . 1 . 2]"
1 19 TRP 3.357 0.238 6 0 "[ . 1 . 2]"
1 20 ILE 2.313 0.155 12 0 "[ . 1 . 2]"
1 21 THR 3.073 0.191 16 0 "[ . 1 . 2]"
1 28 GLU 0.971 0.118 10 0 "[ . 1 . 2]"
1 29 GLU 2.622 0.221 8 0 "[ . 1 . 2]"
1 32 LEU 0.971 0.118 10 0 "[ . 1 . 2]"
1 33 GLN 4.577 0.221 8 0 "[ . 1 . 2]"
1 34 VAL 3.875 0.178 20 0 "[ . 1 . 2]"
1 35 VAL 2.399 0.226 17 0 "[ . 1 . 2]"
1 36 LYS 1.452 0.130 16 0 "[ . 1 . 2]"
1 37 TYR 8.169 0.256 13 0 "[ . 1 . 2]"
1 38 CYS 3.875 0.178 20 0 "[ . 1 . 2]"
1 39 THR 6.971 0.261 5 0 "[ . 1 . 2]"
1 40 ASP 1.452 0.130 16 0 "[ . 1 . 2]"
1 41 LEU 6.215 0.256 13 0 "[ . 1 . 2]"
1 43 GLU 4.573 0.261 5 0 "[ . 1 . 2]"
1 47 LEU 0.732 0.099 10 0 "[ . 1 . 2]"
1 48 GLU 4.468 0.226 12 0 "[ . 1 . 2]"
1 50 LEU 0.895 0.142 7 0 "[ . 1 . 2]"
1 51 ASP 7.687 0.314 19 0 "[ . 1 . 2]"
1 52 LEU 7.977 0.247 12 0 "[ . 1 . 2]"
1 53 VAL 2.352 0.213 4 0 "[ . 1 . 2]"
1 54 ILE 4.561 0.208 1 0 "[ . 1 . 2]"
1 55 LYS 13.624 0.314 19 0 "[ . 1 . 2]"
1 56 TYR 6.422 0.247 12 0 "[ . 1 . 2]"
1 57 MET 2.880 0.213 4 0 "[ . 1 . 2]"
1 58 LYS 6.621 0.276 7 0 "[ . 1 . 2]"
1 59 ARG 9.367 0.262 11 0 "[ . 1 . 2]"
1 60 LEU 2.913 0.201 16 0 "[ . 1 . 2]"
1 61 MET 0.527 0.103 17 0 "[ . 1 . 2]"
1 62 GLN 2.954 0.276 7 0 "[ . 1 . 2]"
1 63 GLN 2.698 0.262 11 0 "[ . 1 . 2]"
1 68 VAL 1.133 0.169 4 0 "[ . 1 . 2]"
1 69 TRP 0.843 0.105 10 0 "[ . 1 . 2]"
1 71 MET 3.146 0.173 1 0 "[ . 1 . 2]"
1 72 ALA 1.330 0.169 4 0 "[ . 1 . 2]"
1 73 PHE 0.925 0.105 10 0 "[ . 1 . 2]"
1 74 ASP 5.419 0.244 7 0 "[ . 1 . 2]"
1 75 PHE 7.130 0.195 2 0 "[ . 1 . 2]"
1 76 ILE 4.188 0.187 11 0 "[ . 1 . 2]"
1 77 LEU 0.987 0.185 7 0 "[ . 1 . 2]"
1 78 ASP 7.061 0.244 7 0 "[ . 1 . 2]"
1 79 ASN 8.603 0.195 2 0 "[ . 1 . 2]"
1 80 VAL 6.886 0.187 11 0 "[ . 1 . 2]"
1 81 GLN 3.640 0.197 15 0 "[ . 1 . 2]"
1 82 VAL 4.598 0.238 1 0 "[ . 1 . 2]"
1 83 VAL 6.572 0.186 13 0 "[ . 1 . 2]"
1 84 LEU 2.895 0.177 5 0 "[ . 1 . 2]"
1 85 GLN 2.736 0.197 15 0 "[ . 1 . 2]"
1 86 GLN 2.957 0.238 1 0 "[ . 1 . 2]"
1 87 THR 1.954 0.180 2 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 28 GLU O 1 32 LEU H . . 2.000 2.040 1.965 2.118 0.118 10 0 "[ . 1 . 2]" 2
2 1 28 GLU O 1 32 LEU N . . 3.000 2.951 2.860 3.032 0.032 16 0 "[ . 1 . 2]" 2
3 1 29 GLU O 1 33 GLN H . . 2.000 2.108 2.009 2.221 0.221 8 0 "[ . 1 . 2]" 2
4 1 29 GLU O 1 33 GLN N . . 3.000 2.978 2.866 3.136 0.136 2 0 "[ . 1 . 2]" 2
5 1 33 GLN O 1 37 TYR H . . 2.000 2.088 2.024 2.153 0.153 7 0 "[ . 1 . 2]" 2
6 1 33 GLN O 1 37 TYR N . . 3.000 2.955 2.841 3.072 0.072 7 0 "[ . 1 . 2]" 2
7 1 34 VAL O 1 38 CYS H . . 2.000 2.119 2.056 2.178 0.178 20 0 "[ . 1 . 2]" 2
8 1 34 VAL O 1 38 CYS N . . 3.000 3.075 2.998 3.121 0.121 13 0 "[ . 1 . 2]" 2
9 1 35 VAL O 1 39 THR H . . 2.000 2.115 2.025 2.226 0.226 17 0 "[ . 1 . 2]" 2
10 1 35 VAL O 1 39 THR N . . 3.000 2.925 2.809 3.085 0.085 17 0 "[ . 1 . 2]" 2
11 1 36 LYS O 1 40 ASP H . . 2.000 2.071 1.965 2.130 0.130 16 0 "[ . 1 . 2]" 2
12 1 36 LYS O 1 40 ASP N . . 3.000 2.862 2.773 2.981 . 0 0 "[ . 1 . 2]" 2
13 1 37 TYR O 1 41 LEU H . . 2.000 2.181 2.121 2.256 0.256 13 0 "[ . 1 . 2]" 2
14 1 37 TYR O 1 41 LEU N . . 3.000 3.130 3.059 3.210 0.210 13 0 "[ . 1 . 2]" 2
15 1 39 THR O 1 43 GLU H . . 2.000 2.159 2.061 2.261 0.261 5 0 "[ . 1 . 2]" 2
16 1 39 THR O 1 43 GLU N . . 3.000 3.062 2.911 3.190 0.190 4 0 "[ . 1 . 2]" 2
17 1 9 PHE O 1 13 LYS H . . 2.000 2.206 2.089 2.270 0.270 5 0 "[ . 1 . 2]" 2
18 1 9 PHE O 1 13 LYS N . . 3.000 3.146 3.058 3.209 0.209 5 0 "[ . 1 . 2]" 2
19 1 10 ASN O 1 14 THR H . . 2.000 2.085 1.980 2.202 0.202 13 0 "[ . 1 . 2]" 2
20 1 10 ASN O 1 14 THR N . . 3.000 3.015 2.876 3.122 0.122 13 0 "[ . 1 . 2]" 2
21 1 11 ASP O 1 15 LEU H . . 2.000 2.037 1.905 2.149 0.149 8 0 "[ . 1 . 2]" 2
22 1 11 ASP O 1 15 LEU N . . 3.000 2.985 2.861 3.104 0.104 15 0 "[ . 1 . 2]" 2
23 1 12 VAL O 1 16 LEU H . . 2.000 2.145 2.042 2.212 0.212 18 0 "[ . 1 . 2]" 2
24 1 12 VAL O 1 16 LEU N . . 3.000 3.052 2.962 3.111 0.111 5 0 "[ . 1 . 2]" 2
25 1 13 LYS O 1 17 ARG H . . 2.000 2.193 2.134 2.247 0.247 18 0 "[ . 1 . 2]" 2
26 1 13 LYS O 1 17 ARG N . . 3.000 3.019 2.941 3.101 0.101 18 0 "[ . 1 . 2]" 2
27 1 14 THR O 1 18 GLU H . . 2.000 2.066 1.931 2.199 0.199 16 0 "[ . 1 . 2]" 2
28 1 14 THR O 1 18 GLU N . . 3.000 3.034 2.893 3.179 0.179 16 0 "[ . 1 . 2]" 2
29 1 15 LEU O 1 19 TRP H . . 2.000 2.144 2.018 2.238 0.238 6 0 "[ . 1 . 2]" 2
30 1 15 LEU O 1 19 TRP N . . 3.000 2.986 2.858 3.139 0.139 6 0 "[ . 1 . 2]" 2
31 1 16 LEU O 1 20 ILE H . . 2.000 2.072 1.968 2.155 0.155 12 0 "[ . 1 . 2]" 2
32 1 16 LEU O 1 20 ILE N . . 3.000 3.024 2.899 3.136 0.136 12 0 "[ . 1 . 2]" 2
33 1 17 ARG O 1 21 THR H . . 2.000 2.114 1.996 2.191 0.191 16 0 "[ . 1 . 2]" 2
34 1 17 ARG O 1 21 THR N . . 3.000 3.033 2.952 3.147 0.147 16 0 "[ . 1 . 2]" 2
35 1 47 LEU O 1 51 ASP H . . 2.000 2.027 1.957 2.099 0.099 10 0 "[ . 1 . 2]" 2
36 1 47 LEU O 1 51 ASP N . . 3.000 2.963 2.904 3.040 0.040 20 0 "[ . 1 . 2]" 2
37 1 48 GLU O 1 52 LEU H . . 2.000 2.130 2.038 2.226 0.226 12 0 "[ . 1 . 2]" 2
38 1 48 GLU O 1 52 LEU N . . 3.000 3.091 2.969 3.204 0.204 12 0 "[ . 1 . 2]" 2
39 1 50 LEU O 1 54 ILE H . . 2.000 2.027 1.957 2.142 0.142 7 0 "[ . 1 . 2]" 2
40 1 50 LEU O 1 54 ILE N . . 3.000 2.947 2.777 3.061 0.061 18 0 "[ . 1 . 2]" 2
41 1 51 ASP O 1 55 LYS H . . 2.000 2.190 2.081 2.314 0.314 19 0 "[ . 1 . 2]" 2
42 1 51 ASP O 1 55 LYS N . . 3.000 3.157 3.005 3.288 0.288 19 0 "[ . 1 . 2]" 2
43 1 52 LEU O 1 56 TYR H . . 2.000 2.138 2.025 2.247 0.247 12 0 "[ . 1 . 2]" 2
44 1 52 LEU O 1 56 TYR N . . 3.000 3.026 2.898 3.143 0.143 12 0 "[ . 1 . 2]" 2
45 1 53 VAL O 1 57 MET H . . 2.000 2.092 1.951 2.213 0.213 4 0 "[ . 1 . 2]" 2
46 1 53 VAL O 1 57 MET N . . 3.000 2.992 2.824 3.101 0.101 4 0 "[ . 1 . 2]" 2
47 1 54 ILE O 1 58 LYS H . . 2.000 2.132 2.051 2.208 0.208 1 0 "[ . 1 . 2]" 2
48 1 54 ILE O 1 58 LYS N . . 3.000 3.039 2.912 3.188 0.188 1 0 "[ . 1 . 2]" 2
49 1 55 LYS O 1 59 ARG H . . 2.000 2.196 2.123 2.247 0.247 7 0 "[ . 1 . 2]" 2
50 1 55 LYS O 1 59 ARG N . . 3.000 3.138 3.067 3.189 0.189 3 0 "[ . 1 . 2]" 2
51 1 56 TYR O 1 60 LEU H . . 2.000 2.117 2.018 2.201 0.201 16 0 "[ . 1 . 2]" 2
52 1 56 TYR O 1 60 LEU N . . 3.000 3.011 2.893 3.117 0.117 16 0 "[ . 1 . 2]" 2
53 1 57 MET O 1 61 MET H . . 2.000 1.989 1.883 2.103 0.103 17 0 "[ . 1 . 2]" 2
54 1 57 MET O 1 61 MET N . . 3.000 2.902 2.821 3.022 0.022 9 0 "[ . 1 . 2]" 2
55 1 58 LYS O 1 62 GLN H . . 2.000 2.125 1.979 2.276 0.276 7 0 "[ . 1 . 2]" 2
56 1 58 LYS O 1 62 GLN N . . 3.000 2.964 2.761 3.126 0.126 7 0 "[ . 1 . 2]" 2
57 1 59 ARG O 1 63 GLN H . . 2.000 2.133 2.022 2.262 0.262 11 0 "[ . 1 . 2]" 2
58 1 59 ARG O 1 63 GLN N . . 3.000 2.878 2.758 3.043 0.043 11 0 "[ . 1 . 2]" 2
59 1 69 TRP O 1 73 PHE H . . 2.000 2.042 2.008 2.105 0.105 10 0 "[ . 1 . 2]" 2
60 1 69 TRP O 1 73 PHE N . . 3.000 2.938 2.888 3.000 . 0 0 "[ . 1 . 2]" 2
61 1 68 VAL O 1 72 ALA H . . 2.000 2.051 1.988 2.169 0.169 4 0 "[ . 1 . 2]" 2
62 1 68 VAL O 1 72 ALA N . . 3.000 2.918 2.825 3.091 0.091 4 0 "[ . 1 . 2]" 2
63 1 71 MET O 1 75 PHE H . . 2.000 2.118 2.045 2.173 0.173 1 0 "[ . 1 . 2]" 2
64 1 71 MET O 1 75 PHE N . . 3.000 3.023 2.920 3.112 0.112 2 0 "[ . 1 . 2]" 2
65 1 72 ALA O 1 76 ILE H . . 2.000 1.985 1.932 2.052 0.052 14 0 "[ . 1 . 2]" 2
66 1 72 ALA O 1 76 ILE N . . 3.000 2.947 2.884 3.026 0.026 14 0 "[ . 1 . 2]" 2
67 1 73 PHE O 1 77 LEU H . . 2.000 1.966 1.897 2.037 0.037 10 0 "[ . 1 . 2]" 2
68 1 73 PHE O 1 77 LEU N . . 3.000 2.891 2.817 2.959 . 0 0 "[ . 1 . 2]" 2
69 1 74 ASP O 1 78 ASP H . . 2.000 2.194 2.146 2.244 0.244 7 0 "[ . 1 . 2]" 2
70 1 74 ASP O 1 78 ASP N . . 3.000 3.077 3.031 3.122 0.122 9 0 "[ . 1 . 2]" 2
71 1 75 PHE O 1 79 ASN H . . 2.000 2.114 2.038 2.195 0.195 2 0 "[ . 1 . 2]" 2
72 1 75 PHE O 1 79 ASN N . . 3.000 3.085 3.002 3.177 0.177 2 0 "[ . 1 . 2]" 2
73 1 76 ILE O 1 80 VAL H . . 2.000 2.121 2.028 2.187 0.187 11 0 "[ . 1 . 2]" 2
74 1 76 ILE O 1 80 VAL N . . 3.000 3.078 2.993 3.148 0.148 11 0 "[ . 1 . 2]" 2
75 1 77 LEU O 1 81 GLN H . . 2.000 2.017 1.939 2.185 0.185 7 0 "[ . 1 . 2]" 2
76 1 77 LEU O 1 81 GLN N . . 3.000 2.933 2.817 3.107 0.107 7 0 "[ . 1 . 2]" 2
77 1 78 ASP O 1 82 VAL H . . 2.000 2.069 2.013 2.174 0.174 1 0 "[ . 1 . 2]" 2
78 1 78 ASP O 1 82 VAL N . . 3.000 2.969 2.891 3.127 0.127 1 0 "[ . 1 . 2]" 2
79 1 79 ASN O 1 83 VAL H . . 2.000 2.139 2.095 2.186 0.186 13 0 "[ . 1 . 2]" 2
80 1 79 ASN O 1 83 VAL N . . 3.000 3.092 3.009 3.143 0.143 13 0 "[ . 1 . 2]" 2
81 1 80 VAL O 1 84 LEU H . . 2.000 2.121 2.082 2.177 0.177 5 0 "[ . 1 . 2]" 2
82 1 80 VAL O 1 84 LEU N . . 3.000 3.008 2.919 3.099 0.099 1 0 "[ . 1 . 2]" 2
83 1 81 GLN O 1 85 GLN H . . 2.000 2.125 2.029 2.197 0.197 15 0 "[ . 1 . 2]" 2
84 1 81 GLN O 1 85 GLN N . . 3.000 2.976 2.894 3.086 0.086 15 0 "[ . 1 . 2]" 2
85 1 82 VAL O 1 86 GLN H . . 2.000 2.141 2.013 2.238 0.238 1 0 "[ . 1 . 2]" 2
86 1 82 VAL O 1 86 GLN N . . 3.000 2.959 2.847 3.055 0.055 1 0 "[ . 1 . 2]" 2
87 1 83 VAL O 1 87 THR H . . 2.000 2.094 1.954 2.180 0.180 2 0 "[ . 1 . 2]" 2
88 1 83 VAL O 1 87 THR N . . 3.000 2.896 2.807 2.995 . 0 0 "[ . 1 . 2]" 2
89 1 3 LEU O 1 6 ALA H . . 2.000 2.126 2.039 2.217 0.217 6 0 "[ . 1 . 2]" 2
90 1 3 LEU O 1 6 ALA N . . 3.000 2.959 2.896 3.019 0.019 5 0 "[ . 1 . 2]" 2
91 1 3 LEU H 1 6 ALA O . . 2.000 2.061 1.962 2.185 0.185 5 0 "[ . 1 . 2]" 2
92 1 3 LEU N 1 6 ALA O . . 3.000 2.979 2.866 3.101 0.101 4 0 "[ . 1 . 2]" 2
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