NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565029 |
2lxk   |
18680 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lxk
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 797
_Distance_constraint_stats_list.Viol_count 2791
_Distance_constraint_stats_list.Viol_total 23257.541
_Distance_constraint_stats_list.Viol_max 3.134
_Distance_constraint_stats_list.Viol_rms 0.2309
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0730
_Distance_constraint_stats_list.Viol_average_violations_only 0.4167
_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 GLU 1.109 0.496 8 0 "[ . 1 . 2]"
1 3 GLN 146.701 3.134 12 20 [*******-***+********]
1 4 GLY 6.313 0.423 18 0 "[ . 1 . 2]"
1 5 THR 62.893 1.663 14 19 "[-** *********+******]"
1 6 VAL 43.707 0.853 7 9 "[ ** . +*** * . - *]"
1 7 LYS 14.288 0.942 2 8 "[ + ** ** *-* 2]"
1 8 TRP 16.587 0.914 6 15 "[*** *+* *- ** * ****]"
1 9 PHE 16.894 1.830 9 12 "[*** .***+1** ** - 2]"
1 10 ASN 15.974 0.927 6 11 "[* **.+* *1** -.** 2]"
1 11 ALA 0.343 0.216 18 0 "[ . 1 . 2]"
1 12 GLU 22.368 0.854 5 16 "[****+****1***-. * **]"
1 13 LYS 33.569 0.854 5 7 "[ * + * ** -. * 2]"
1 14 GLY 9.020 0.763 11 2 "[ - . 1+ . 2]"
1 15 PHE 12.690 0.927 6 10 "[* *.+* *1-* .*** 2]"
1 16 GLY 0.974 0.249 3 0 "[ . 1 . 2]"
1 17 PHE 2.672 0.849 9 2 "[ . +1 . - 2]"
1 18 ILE 45.309 1.042 13 17 "[****-*** * *+ ******]"
1 19 GLU 38.593 1.663 14 15 "[** *-* *** *+*****2]"
1 20 ARG 17.690 1.464 16 9 "[* .- ** **+ * *]"
1 21 GLU 11.473 0.769 13 8 "[ * . ** *+ ** - 2]"
1 22 ASN 2.252 0.435 18 0 "[ . 1 . 2]"
1 23 GLY 11.555 0.769 13 9 "[ * .* ** *+ ** - 2]"
1 24 ASP 22.763 1.464 16 16 "[****** * *** *+-***]"
1 25 ASP 13.078 0.694 16 15 "[****** * *** .+-***]"
1 26 VAL 14.268 1.025 10 8 "[** *. * + - .** 2]"
1 27 PHE 4.259 0.986 20 3 "[ *. - 1 . +]"
1 28 VAL 17.078 1.262 20 6 "[ ** .- 1 * . * +]"
1 29 HIS 15.287 1.163 2 7 "[-+**. * .* * 2]"
1 30 PHE 46.211 1.941 20 20 [***********-*******+]
1 31 SER 4.633 0.397 16 0 "[ . 1 . 2]"
1 32 ALA 11.873 0.853 1 3 "[+ . 1 - .* 2]"
1 33 ILE 126.645 2.551 5 20 [****+*******-*******]
1 34 GLN 74.668 2.007 4 19 "[ **+**-*************]"
1 35 GLY 5.647 1.292 20 5 "[ * . -* 1 * +]"
1 36 ASP 11.794 0.721 10 11 "[ * -.** + * *.* ***]"
1 37 GLY 9.857 0.774 8 12 "[ * -.**+ * * *.* ***]"
1 38 PHE 2.208 0.774 8 1 "[ . + 1 . 2]"
1 39 LYS 60.612 2.551 5 20 [****+******-********]
1 40 SER 53.639 2.314 12 20 [***********+****-***]
1 41 LEU 45.931 1.781 15 17 "[-** ****** * *+*****]"
1 42 ASP 15.219 0.848 16 8 "[ * .* - 1** .+* *]"
1 43 GLU 25.883 1.830 9 12 "[*** .** +-** ** * 2]"
1 44 GLY 10.531 0.581 11 3 "[ .* 1+ .- 2]"
1 45 GLN 92.020 1.228 13 20 [************+-******]
1 46 ALA 49.705 1.178 19 20 [***************-**+*]
1 47 VAL 150.689 2.007 4 20 [***+**-*************]
1 48 THR 121.037 2.299 7 20 [******+*************]
1 49 PHE 53.421 1.407 8 20 [*******+**-*********]
1 50 ASP 49.519 1.327 14 15 "[* * .***** *-+**** *]"
1 51 VAL 17.094 1.175 2 9 "[ + * *1*-* . * **]"
1 52 GLU 5.242 0.810 17 1 "[ . 1 . + 2]"
1 53 GLU 11.761 1.138 11 6 "[ * * *1+ . *-]"
1 54 GLY 2.252 1.015 6 2 "[ .+ 1 . -]"
1 55 GLN 1.270 0.564 12 1 "[ . 1 + . 2]"
1 56 ARG 1.250 0.564 12 1 "[ . 1 + . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PRO 16.656 1.138 11 9 "[ **** *1+ .* *-]"
1 59 GLN 2.646 0.550 16 1 "[ . 1 .+ 2]"
1 60 ALA 39.465 1.407 8 14 "[** . *+*-***** * **]"
1 61 ALA 55.495 1.327 14 17 "[- * **** ****+******]"
1 62 ASN 47.971 1.071 8 20 [*******+*-**********]
1 63 VAL 57.205 1.337 8 19 "[*******+***** ***-**]"
1 64 GLN 72.000 1.579 1 20 [+*-*****************]
1 65 LYS 182.536 1.756 5 20 [****+********-******]
1 66 ALA 117.439 3.134 12 20 [*********-*+********]
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 2 GLU HA 1 3 GLN H . . 2.640 2.356 2.115 3.034 0.394 6 0 "[ . 1 . 2]" 1
2 1 2 GLU QB 1 51 VAL QG . . 4.770 3.264 2.074 4.683 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU HB2 1 51 VAL QG . . 5.500 3.583 2.493 4.888 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU HB3 1 51 VAL QG . . 5.500 3.921 2.144 5.996 0.496 8 0 "[ . 1 . 2]" 1
5 1 3 GLN H 1 3 GLN QB . . 2.940 2.473 2.319 2.718 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN H 1 3 GLN QG . . 3.620 4.098 3.996 4.339 0.719 12 7 "[ * * - **+ .* 2]" 1
7 1 3 GLN H 1 4 GLY H . . 4.900 4.393 4.117 4.551 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLN H 1 48 THR HA . . 4.820 4.626 4.207 5.421 0.601 12 1 "[ . 1 + . 2]" 1
9 1 3 GLN HA 1 3 GLN QE . . 4.410 3.983 2.909 4.569 0.159 16 0 "[ . 1 . 2]" 1
10 1 3 GLN HA 1 3 GLN QG . . 3.500 2.427 2.302 3.024 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN HA 1 4 GLY H . . 2.820 2.207 2.138 2.315 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLN HA 1 47 VAL QG . . 5.330 4.442 4.058 4.963 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLN HA 1 48 THR H . . 5.010 4.705 4.266 5.333 0.323 12 0 "[ . 1 . 2]" 1
14 1 3 GLN HA 1 48 THR HA . . 3.130 2.093 1.768 2.615 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLN HA 1 48 THR HB . . 4.940 4.938 4.612 5.542 0.602 12 1 "[ . 1 + . 2]" 1
16 1 3 GLN HA 1 49 PHE H . . 3.900 3.166 2.481 3.678 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLN QB 1 4 GLY H . . 3.440 3.685 3.460 3.863 0.423 18 0 "[ . 1 . 2]" 1
18 1 3 GLN QB 1 46 ALA MB . . 5.350 5.106 4.303 6.044 0.694 12 2 "[ . 1 + .- 2]" 1
19 1 3 GLN QB 1 48 THR H . . 4.280 5.462 4.691 6.579 2.299 7 19 "[*****-+*********** *]" 1
20 1 3 GLN QB 1 48 THR HA . . 4.370 3.349 2.939 4.366 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLN QB 1 48 THR HG1 . . 4.080 4.150 3.529 5.740 1.660 12 4 "[ * - + . * 2]" 1
22 1 3 GLN QB 1 49 PHE H . . 4.100 4.449 4.056 5.302 1.202 7 6 "[ **. + 1- . ** 2]" 1
23 1 3 GLN QB 1 66 ALA H . . 5.500 7.574 6.809 8.634 3.134 12 20 [***********+**-*****] 1
24 1 3 GLN QB 1 66 ALA MB . . 4.990 4.709 4.054 5.707 0.717 12 1 "[ . 1 + . 2]" 1
25 1 3 GLN QE 1 47 VAL H . . 4.300 4.579 2.745 5.706 1.406 9 13 "[ * *** *+* ***- **]" 1
26 1 3 GLN QE 1 47 VAL HB . . 5.500 5.955 4.851 6.305 0.805 9 12 "[ ** -+1* ***** **]" 1
27 1 3 GLN QE 1 48 THR H . . 4.290 4.366 3.587 5.373 1.083 7 4 "[* . + 1- * . 2]" 1
28 1 3 GLN QE 1 48 THR HA . . 4.260 3.904 3.167 4.770 0.510 7 1 "[ . + 1 . 2]" 1
29 1 3 GLN QE 1 66 ALA H . . 4.530 5.292 4.287 5.745 1.215 13 15 "[******* *- *+*.** *2]" 1
30 1 3 GLN QG 1 4 GLY H . . 3.970 2.776 2.217 3.371 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLN QG 1 46 ALA MB . . 4.730 3.418 2.515 4.677 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLN QG 1 47 VAL H . . 5.230 3.871 3.119 4.704 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLN QG 1 48 THR H . . 4.960 4.140 3.379 5.984 1.024 18 1 "[ . 1 . + 2]" 1
34 1 3 GLN QG 1 48 THR HA . . 4.360 2.903 2.234 4.789 0.429 18 0 "[ . 1 . 2]" 1
35 1 3 GLN QG 1 66 ALA MB . . 4.140 3.248 2.568 3.999 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLY H 1 5 THR H . . 4.410 4.353 4.196 4.494 0.084 17 0 "[ . 1 . 2]" 1
37 1 4 GLY H 1 18 ILE MG . . 4.620 4.024 3.600 4.622 0.002 12 0 "[ . 1 . 2]" 1
38 1 4 GLY H 1 46 ALA MB . . 5.460 4.337 3.893 4.747 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLY H 1 47 VAL QG . . 4.080 3.460 3.201 3.819 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLY H 1 48 THR H . . 5.070 5.003 4.817 5.255 0.185 12 0 "[ . 1 . 2]" 1
41 1 4 GLY H 1 48 THR HA . . 3.790 3.370 2.950 3.768 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLY H 1 66 ALA MB . . 5.380 5.043 4.083 5.712 0.332 19 0 "[ . 1 . 2]" 1
43 1 4 GLY QA 1 5 THR H . . 3.120 2.235 2.158 2.285 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLY QA 1 18 ILE MG . . 4.000 2.820 2.206 3.439 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR H 1 5 THR HB . . 3.520 2.625 2.475 2.817 . 0 0 "[ . 1 . 2]" 1
46 1 5 THR H 1 5 THR HG1 . . 3.800 3.076 2.278 4.105 0.305 11 0 "[ . 1 . 2]" 1
47 1 5 THR H 1 6 VAL H . . 4.440 4.427 4.325 4.530 0.090 19 0 "[ . 1 . 2]" 1
48 1 5 THR H 1 19 GLU H . . 3.700 3.406 2.972 3.895 0.195 15 0 "[ . 1 . 2]" 1
49 1 5 THR H 1 19 GLU QG . . 4.200 4.018 1.999 5.062 0.862 18 7 "[- . * *** *+ 2]" 1
50 1 5 THR HA 1 5 THR HG1 . . 3.100 2.715 2.333 3.579 0.479 3 0 "[ . 1 . 2]" 1
51 1 5 THR HA 1 6 VAL H . . 2.740 2.181 2.143 2.255 . 0 0 "[ . 1 . 2]" 1
52 1 5 THR HA 1 6 VAL HA . . 4.630 4.375 4.329 4.406 . 0 0 "[ . 1 . 2]" 1
53 1 5 THR HA 1 6 VAL QG . . 4.290 3.546 3.480 3.600 . 0 0 "[ . 1 . 2]" 1
54 1 5 THR HA 1 18 ILE MG . . 4.330 3.869 3.672 4.117 . 0 0 "[ . 1 . 2]" 1
55 1 5 THR HA 1 19 GLU H . . 5.490 4.909 4.709 5.222 . 0 0 "[ . 1 . 2]" 1
56 1 5 THR HA 1 19 GLU QG . . 5.440 6.131 4.096 7.103 1.663 14 15 "[** *** **- *+*****2]" 1
57 1 5 THR HA 1 45 GLN H . . 5.180 5.244 4.927 5.544 0.364 12 0 "[ . 1 . 2]" 1
58 1 5 THR HA 1 45 GLN QG . . 5.500 4.671 4.312 5.169 . 0 0 "[ . 1 . 2]" 1
59 1 5 THR HA 1 46 ALA H . . 4.770 4.580 4.280 4.849 0.079 12 0 "[ . 1 . 2]" 1
60 1 5 THR HA 1 46 ALA HA . . 2.990 2.098 1.769 2.402 . 0 0 "[ . 1 . 2]" 1
61 1 5 THR HA 1 46 ALA MB . . 3.630 3.406 2.854 3.832 0.202 18 0 "[ . 1 . 2]" 1
62 1 5 THR HA 1 47 VAL H . . 3.370 3.219 2.821 3.604 0.234 15 0 "[ . 1 . 2]" 1
63 1 5 THR HA 1 47 VAL QG . . 4.460 3.596 2.966 3.981 . 0 0 "[ . 1 . 2]" 1
64 1 5 THR HB 1 6 VAL H . . 4.490 4.090 3.962 4.195 . 0 0 "[ . 1 . 2]" 1
65 1 5 THR HB 1 19 GLU H . . 4.730 4.039 3.592 4.533 . 0 0 "[ . 1 . 2]" 1
66 1 5 THR HB 1 19 GLU QB . . 5.500 3.424 2.594 4.560 . 0 0 "[ . 1 . 2]" 1
67 1 5 THR HG1 1 45 GLN HA . . 5.490 6.147 4.992 6.538 1.048 19 14 "[* - .****1****.** +*]" 1
68 1 5 THR HG1 1 46 ALA H . . 4.890 5.406 4.408 6.048 1.158 19 12 "[* * .****1* -*. * +*]" 1
69 1 5 THR HG1 1 46 ALA HA . . 3.950 3.502 2.759 4.191 0.241 3 0 "[ . 1 . 2]" 1
70 1 5 THR HG1 1 46 ALA MB . . 3.750 3.146 2.333 3.843 0.093 11 0 "[ . 1 . 2]" 1
71 1 5 THR HG1 1 47 VAL H . . 4.700 4.882 3.726 5.680 0.980 3 6 "[ + * 1* *. *-]" 1
72 1 6 VAL H 1 6 VAL HB . . 3.010 2.570 2.529 2.598 . 0 0 "[ . 1 . 2]" 1
73 1 6 VAL H 1 6 VAL QG . . 2.810 2.045 2.002 2.119 . 0 0 "[ . 1 . 2]" 1
74 1 6 VAL H 1 7 LYS H . . 4.740 4.443 4.316 4.535 . 0 0 "[ . 1 . 2]" 1
75 1 6 VAL H 1 18 ILE HA . . 5.340 4.946 4.631 5.278 . 0 0 "[ . 1 . 2]" 1
76 1 6 VAL H 1 18 ILE MG . . 4.100 3.766 3.507 4.143 0.043 12 0 "[ . 1 . 2]" 1
77 1 6 VAL H 1 19 GLU H . . 5.500 4.913 4.698 5.164 . 0 0 "[ . 1 . 2]" 1
78 1 6 VAL H 1 44 GLY H . . 4.150 3.805 3.447 4.251 0.101 3 0 "[ . 1 . 2]" 1
79 1 6 VAL H 1 44 GLY QA . . 4.790 4.672 4.374 5.089 0.299 5 0 "[ . 1 . 2]" 1
80 1 6 VAL H 1 45 GLN H . . 3.810 3.831 3.519 4.066 0.256 8 0 "[ . 1 . 2]" 1
81 1 6 VAL H 1 45 GLN HA . . 5.500 4.941 4.722 5.145 . 0 0 "[ . 1 . 2]" 1
82 1 6 VAL H 1 46 ALA HA . . 3.740 3.292 2.746 3.786 0.046 18 0 "[ . 1 . 2]" 1
83 1 6 VAL H 1 46 ALA MB . . 5.090 4.710 4.229 5.133 0.043 18 0 "[ . 1 . 2]" 1
84 1 6 VAL H 1 47 VAL H . . 4.000 4.150 3.856 4.557 0.557 17 1 "[ . 1 . + 2]" 1
85 1 6 VAL H 1 47 VAL QG . . 4.120 3.305 3.040 3.733 . 0 0 "[ . 1 . 2]" 1
86 1 6 VAL HA 1 7 LYS H . . 2.860 2.152 2.133 2.179 . 0 0 "[ . 1 . 2]" 1
87 1 6 VAL HA 1 8 TRP H . . 4.550 4.161 3.687 4.409 . 0 0 "[ . 1 . 2]" 1
88 1 6 VAL HA 1 18 ILE H . . 5.500 5.115 4.762 5.472 . 0 0 "[ . 1 . 2]" 1
89 1 6 VAL HA 1 18 ILE HA . . 3.420 2.475 2.176 2.897 . 0 0 "[ . 1 . 2]" 1
90 1 6 VAL HA 1 18 ILE HB . . 4.730 4.604 4.277 5.038 0.308 13 0 "[ . 1 . 2]" 1
91 1 6 VAL HA 1 18 ILE MD . . 4.940 3.576 1.941 4.286 . 0 0 "[ . 1 . 2]" 1
92 1 6 VAL HA 1 18 ILE QG . . 4.840 2.290 1.742 3.989 . 0 0 "[ . 1 . 2]" 1
93 1 6 VAL HA 1 18 ILE MG . . 3.790 2.713 2.179 3.265 . 0 0 "[ . 1 . 2]" 1
94 1 6 VAL HA 1 19 GLU H . . 3.580 3.566 3.108 3.882 0.302 17 0 "[ . 1 . 2]" 1
95 1 6 VAL HA 1 19 GLU QB . . 5.500 5.183 4.456 5.807 0.307 4 0 "[ . 1 . 2]" 1
96 1 6 VAL HA 1 47 VAL QG . . 5.500 4.076 3.694 4.582 . 0 0 "[ . 1 . 2]" 1
97 1 6 VAL HB 1 7 LYS H . . 4.360 4.278 4.179 4.361 0.001 3 0 "[ . 1 . 2]" 1
98 1 6 VAL HB 1 41 LEU QD . . 4.830 4.303 3.752 4.874 0.044 13 0 "[ . 1 . 2]" 1
99 1 6 VAL HB 1 43 GLU HA . . 3.740 2.755 1.956 3.881 0.141 3 0 "[ . 1 . 2]" 1
100 1 6 VAL HB 1 44 GLY H . . 3.430 2.746 2.414 3.276 . 0 0 "[ . 1 . 2]" 1
101 1 6 VAL HB 1 45 GLN H . . 2.800 3.005 2.647 3.403 0.603 20 2 "[ . - 1 . +]" 1
102 1 6 VAL HB 1 47 VAL QG . . 4.910 4.086 3.870 4.551 . 0 0 "[ . 1 . 2]" 1
103 1 6 VAL QG 1 7 LYS H . . 3.380 2.881 2.696 3.111 . 0 0 "[ . 1 . 2]" 1
104 1 6 VAL QG 1 7 LYS HA . . 4.220 4.053 3.836 4.199 . 0 0 "[ . 1 . 2]" 1
105 1 6 VAL QG 1 8 TRP H . . 3.080 2.953 2.618 3.417 0.337 9 0 "[ . 1 . 2]" 1
106 1 6 VAL QG 1 8 TRP HA . . 4.480 3.286 2.642 3.914 . 0 0 "[ . 1 . 2]" 1
107 1 6 VAL QG 1 9 PHE H . . 4.150 4.157 3.417 5.003 0.853 7 2 "[ . +- 1 . 2]" 1
108 1 6 VAL QG 1 17 PHE H . . 4.170 3.930 3.121 5.019 0.849 9 2 "[ . +1 . - 2]" 1
109 1 6 VAL QG 1 17 PHE QB . . 5.110 4.747 4.209 5.524 0.414 9 0 "[ . 1 . 2]" 1
110 1 6 VAL QG 1 18 ILE HA . . 4.100 3.523 3.246 3.940 . 0 0 "[ . 1 . 2]" 1
111 1 6 VAL QG 1 18 ILE HB . . 5.500 4.592 4.211 5.089 . 0 0 "[ . 1 . 2]" 1
112 1 6 VAL QG 1 18 ILE MD . . 3.700 2.582 1.937 3.427 . 0 0 "[ . 1 . 2]" 1
113 1 6 VAL QG 1 18 ILE QG . . 4.170 2.334 1.968 3.572 . 0 0 "[ . 1 . 2]" 1
114 1 6 VAL QG 1 18 ILE MG . . 3.590 3.159 2.742 3.657 0.067 10 0 "[ . 1 . 2]" 1
115 1 6 VAL QG 1 19 GLU H . . 5.210 4.585 4.234 4.809 . 0 0 "[ . 1 . 2]" 1
116 1 6 VAL QG 1 41 LEU HA . . 4.600 3.944 3.345 4.529 . 0 0 "[ . 1 . 2]" 1
117 1 6 VAL QG 1 41 LEU HB2 . . 4.460 2.772 2.215 3.819 . 0 0 "[ . 1 . 2]" 1
118 1 6 VAL QG 1 41 LEU QB . . 3.650 2.105 1.646 2.824 . 0 0 "[ . 1 . 2]" 1
119 1 6 VAL QG 1 41 LEU HB3 . . 4.460 2.214 1.688 2.909 . 0 0 "[ . 1 . 2]" 1
120 1 6 VAL QG 1 41 LEU MD1 . . 3.420 2.308 2.030 2.981 . 0 0 "[ . 1 . 2]" 1
121 1 6 VAL QG 1 41 LEU QD . . 2.970 2.192 1.837 2.638 . 0 0 "[ . 1 . 2]" 1
122 1 6 VAL QG 1 41 LEU MD2 . . 3.420 3.047 1.914 3.873 0.453 10 0 "[ . 1 . 2]" 1
123 1 6 VAL QG 1 42 ASP H . . 3.840 3.610 2.742 4.474 0.634 20 1 "[ . 1 . +]" 1
124 1 6 VAL QG 1 43 GLU H . . 3.820 4.000 3.512 4.371 0.551 12 3 "[ -* . 1 + . 2]" 1
125 1 6 VAL QG 1 43 GLU HA . . 3.330 2.503 2.059 3.036 . 0 0 "[ . 1 . 2]" 1
126 1 6 VAL QG 1 43 GLU QB . . 4.440 3.353 2.364 4.209 . 0 0 "[ . 1 . 2]" 1
127 1 6 VAL QG 1 43 GLU QG . . 4.770 4.223 2.563 5.191 0.421 3 0 "[ . 1 . 2]" 1
128 1 6 VAL QG 1 44 GLY H . . 3.560 3.358 3.025 3.699 0.139 11 0 "[ . 1 . 2]" 1
129 1 6 VAL QG 1 45 GLN H . . 3.360 3.609 3.366 3.925 0.565 20 1 "[ . 1 . +]" 1
130 1 6 VAL QG 1 45 GLN HA . . 4.790 4.934 4.719 5.200 0.410 20 0 "[ . 1 . 2]" 1
131 1 6 VAL QG 1 45 GLN QB . . 3.840 4.085 3.773 4.516 0.676 20 3 "[ . - * . +]" 1
132 1 6 VAL QG 1 45 GLN HE21 . . 4.720 2.988 2.156 5.013 0.293 4 0 "[ . 1 . 2]" 1
133 1 6 VAL QG 1 45 GLN QE . . 4.050 2.890 2.139 4.530 0.480 4 0 "[ . 1 . 2]" 1
134 1 6 VAL QG 1 45 GLN HE22 . . 4.720 4.159 3.554 5.164 0.444 4 0 "[ . 1 . 2]" 1
135 1 6 VAL QG 1 45 GLN QG . . 3.630 2.441 2.062 2.927 . 0 0 "[ . 1 . 2]" 1
136 1 6 VAL QG 1 46 ALA H . . 5.020 4.948 4.618 5.261 0.241 18 0 "[ . 1 . 2]" 1
137 1 6 VAL QG 1 47 VAL H . . 4.140 3.834 3.468 4.355 0.215 12 0 "[ . 1 . 2]" 1
138 1 6 VAL QG 1 47 VAL HA . . 5.500 5.014 4.678 5.485 . 0 0 "[ . 1 . 2]" 1
139 1 6 VAL QG 1 47 VAL HB . . 4.720 4.341 4.006 4.932 0.212 17 0 "[ . 1 . 2]" 1
140 1 7 LYS H 1 7 LYS QB . . 3.210 2.279 2.223 2.348 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS H 1 7 LYS QD . . 5.240 4.531 4.339 4.808 . 0 0 "[ . 1 . 2]" 1
142 1 7 LYS H 1 7 LYS QG . . 4.520 4.009 3.960 4.081 . 0 0 "[ . 1 . 2]" 1
143 1 7 LYS H 1 8 TRP H . . 2.950 2.580 2.292 2.767 . 0 0 "[ . 1 . 2]" 1
144 1 7 LYS H 1 17 PHE H . . 5.020 4.644 4.325 5.266 0.246 9 0 "[ . 1 . 2]" 1
145 1 7 LYS H 1 18 ILE H . . 4.770 4.517 4.293 4.809 0.039 9 0 "[ . 1 . 2]" 1
146 1 7 LYS H 1 18 ILE HA . . 3.190 2.115 1.772 2.396 . 0 0 "[ . 1 . 2]" 1
147 1 7 LYS H 1 18 ILE QG . . 4.540 3.408 2.550 4.631 0.091 13 0 "[ . 1 . 2]" 1
148 1 7 LYS H 1 18 ILE MG . . 4.030 3.747 3.288 4.061 0.031 10 0 "[ . 1 . 2]" 1
149 1 7 LYS H 1 19 GLU QB . . 5.500 4.287 3.832 5.117 . 0 0 "[ . 1 . 2]" 1
150 1 7 LYS H 1 44 GLY H . . 4.580 4.947 4.810 5.161 0.581 11 3 "[ .* 1+ .- 2]" 1
151 1 7 LYS HA 1 7 LYS QD . . 4.670 3.164 1.931 4.277 . 0 0 "[ . 1 . 2]" 1
152 1 7 LYS HA 1 7 LYS QE . . 4.350 3.653 2.889 4.536 0.186 10 0 "[ . 1 . 2]" 1
153 1 7 LYS HA 1 7 LYS QG . . 3.740 2.680 2.387 3.041 . 0 0 "[ . 1 . 2]" 1
154 1 7 LYS HA 1 19 GLU H . . 4.980 4.836 4.489 5.295 0.315 8 0 "[ . 1 . 2]" 1
155 1 7 LYS QB 1 7 LYS QE . . 2.940 2.060 1.890 3.527 0.587 10 1 "[ . + . 2]" 1
156 1 7 LYS QB 1 8 TRP H . . 3.160 2.293 2.015 2.676 . 0 0 "[ . 1 . 2]" 1
157 1 7 LYS QB 1 18 ILE MG . . 5.200 4.542 4.255 4.743 . 0 0 "[ . 1 . 2]" 1
158 1 7 LYS QB 1 19 GLU H . . 3.660 3.367 2.769 4.014 0.354 19 0 "[ . 1 . 2]" 1
159 1 7 LYS QB 1 19 GLU HA . . 5.500 4.354 3.881 4.845 . 0 0 "[ . 1 . 2]" 1
160 1 7 LYS QB 1 19 GLU QB . . 4.910 2.730 2.212 3.545 . 0 0 "[ . 1 . 2]" 1
161 1 7 LYS QD 1 8 TRP H . . 5.250 4.405 3.439 4.856 . 0 0 "[ . 1 . 2]" 1
162 1 7 LYS QE 1 19 GLU QB . . 4.590 2.388 1.732 3.856 . 0 0 "[ . 1 . 2]" 1
163 1 7 LYS QE 1 19 GLU QG . . 4.820 3.660 3.190 4.764 . 0 0 "[ . 1 . 2]" 1
164 1 7 LYS QE 1 24 ASP HA . . 5.500 4.984 3.820 6.150 0.650 5 3 "[ + - * 2]" 1
165 1 7 LYS QE 1 24 ASP QB . . 4.590 3.521 2.161 5.532 0.942 2 2 "[ + . 1 . - 2]" 1
166 1 7 LYS QG 1 8 TRP H . . 4.030 3.384 3.135 3.653 . 0 0 "[ . 1 . 2]" 1
167 1 8 TRP H 1 9 PHE H . . 4.460 4.245 4.096 4.359 . 0 0 "[ . 1 . 2]" 1
168 1 8 TRP H 1 16 GLY QA . . 5.300 4.618 4.152 5.124 . 0 0 "[ . 1 . 2]" 1
169 1 8 TRP H 1 17 PHE H . . 3.630 3.084 2.822 3.439 . 0 0 "[ . 1 . 2]" 1
170 1 8 TRP H 1 17 PHE HB2 . . 4.730 3.333 2.592 4.478 . 0 0 "[ . 1 . 2]" 1
171 1 8 TRP H 1 17 PHE QB . . 4.090 3.021 2.567 3.625 . 0 0 "[ . 1 . 2]" 1
172 1 8 TRP H 1 17 PHE HB3 . . 4.730 4.163 2.661 4.896 0.166 9 0 "[ . 1 . 2]" 1
173 1 8 TRP H 1 18 ILE HA . . 4.160 4.096 3.788 4.335 0.175 18 0 "[ . 1 . 2]" 1
174 1 8 TRP H 1 18 ILE MG . . 5.150 5.727 5.356 6.064 0.914 6 14 "[*** -+* * ** * ****]" 1
175 1 8 TRP H 1 43 GLU HA . . 4.920 4.897 4.240 5.657 0.737 9 2 "[ . +- . 2]" 1
176 1 8 TRP HA 1 9 PHE H . . 2.820 2.329 2.187 2.531 . 0 0 "[ . 1 . 2]" 1
177 1 8 TRP HA 1 43 GLU HA . . 4.480 3.907 2.785 4.812 0.332 9 0 "[ . 1 . 2]" 1
178 1 8 TRP HA 1 43 GLU QG . . 5.150 3.695 2.261 5.155 0.005 9 0 "[ . 1 . 2]" 1
179 1 9 PHE H 1 10 ASN H . . 4.570 4.031 3.714 4.332 . 0 0 "[ . 1 . 2]" 1
180 1 9 PHE H 1 16 GLY QA . . 5.240 4.312 3.763 4.994 . 0 0 "[ . 1 . 2]" 1
181 1 9 PHE H 1 43 GLU QB . . 4.300 4.043 2.682 5.606 1.306 11 4 "[ .** 1+ . - 2]" 1
182 1 9 PHE H 1 43 GLU QG . . 4.390 4.455 2.569 6.220 1.830 9 8 "[**- .* +1 * ** 2]" 1
183 1 9 PHE HA 1 10 ASN H . . 3.130 2.180 2.127 2.269 . 0 0 "[ . 1 . 2]" 1
184 1 9 PHE QB 1 10 ASN H . . 4.090 3.681 3.277 4.024 . 0 0 "[ . 1 . 2]" 1
185 1 9 PHE HB2 1 10 ASN H . . 4.700 4.039 3.411 4.564 . 0 0 "[ . 1 . 2]" 1
186 1 9 PHE HB3 1 10 ASN H . . 4.700 4.358 3.753 4.500 . 0 0 "[ . 1 . 2]" 1
187 1 10 ASN H 1 10 ASN QB . . 3.340 2.736 2.462 2.849 . 0 0 "[ . 1 . 2]" 1
188 1 10 ASN H 1 10 ASN QD . . 3.670 3.320 1.704 3.957 0.287 14 0 "[ . 1 . 2]" 1
189 1 10 ASN H 1 11 ALA H . . 4.790 3.999 3.858 4.162 . 0 0 "[ . 1 . 2]" 1
190 1 10 ASN H 1 13 LYS QB . . 5.450 5.476 4.963 6.118 0.668 17 4 "[ * . 1* -. + 2]" 1
191 1 10 ASN H 1 15 PHE H . . 4.500 3.979 2.887 4.407 . 0 0 "[ . 1 . 2]" 1
192 1 10 ASN H 1 15 PHE HB2 . . 5.100 4.433 3.794 5.069 . 0 0 "[ . 1 . 2]" 1
193 1 10 ASN H 1 16 GLY QA . . 4.150 2.495 1.893 3.662 . 0 0 "[ . 1 . 2]" 1
194 1 10 ASN HA 1 11 ALA H . . 2.630 2.225 2.052 2.309 . 0 0 "[ . 1 . 2]" 1
195 1 10 ASN QB 1 11 ALA H . . 4.490 3.775 3.595 3.866 . 0 0 "[ . 1 . 2]" 1
196 1 10 ASN QB 1 12 GLU H . . 4.630 3.405 3.077 3.854 . 0 0 "[ . 1 . 2]" 1
197 1 10 ASN QB 1 13 LYS H . . 3.910 3.122 2.625 4.030 0.120 6 0 "[ . 1 . 2]" 1
198 1 10 ASN QB 1 14 GLY H . . 4.470 4.284 3.794 4.630 0.160 6 0 "[ . 1 . 2]" 1
199 1 10 ASN QB 1 15 PHE H . . 3.700 4.212 3.789 4.627 0.927 6 9 "[* *.+* *1-* .** 2]" 1
200 1 10 ASN QD 1 14 GLY H . . 4.830 3.755 3.130 5.161 0.331 18 0 "[ . 1 . 2]" 1
201 1 11 ALA H 1 11 ALA MB . . 3.070 2.224 2.174 2.238 . 0 0 "[ . 1 . 2]" 1
202 1 11 ALA H 1 12 GLU H . . 3.540 2.665 2.509 3.042 . 0 0 "[ . 1 . 2]" 1
203 1 11 ALA H 1 12 GLU QB . . 5.010 4.529 4.131 5.226 0.216 18 0 "[ . 1 . 2]" 1
204 1 11 ALA H 1 13 LYS H . . 4.770 4.411 4.160 4.622 . 0 0 "[ . 1 . 2]" 1
205 1 11 ALA HA 1 14 GLY H . . 4.240 2.721 2.462 2.981 . 0 0 "[ . 1 . 2]" 1
206 1 11 ALA MB 1 12 GLU H . . 3.220 2.942 2.787 3.089 . 0 0 "[ . 1 . 2]" 1
207 1 11 ALA MB 1 14 GLY H . . 5.120 4.104 3.962 4.379 . 0 0 "[ . 1 . 2]" 1
208 1 12 GLU H 1 12 GLU QB . . 2.560 2.328 2.054 2.915 0.355 5 0 "[ . 1 . 2]" 1
209 1 12 GLU H 1 12 GLU QG . . 3.410 3.373 1.797 4.045 0.635 9 13 "[** -.***+1****. **]" 1
210 1 12 GLU H 1 13 LYS H . . 2.910 2.704 2.523 2.799 . 0 0 "[ . 1 . 2]" 1
211 1 12 GLU H 1 13 LYS QB . . 4.610 4.892 4.657 4.994 0.384 6 0 "[ . 1 . 2]" 1
212 1 12 GLU H 1 13 LYS QG . . 4.300 4.608 3.992 5.151 0.851 3 5 "[ + . * 1* -. * 2]" 1
213 1 12 GLU QB 1 13 LYS H . . 2.910 2.685 2.470 3.764 0.854 5 1 "[ + 1 . 2]" 1
214 1 12 GLU QB 1 13 LYS QG . . 4.170 2.939 2.529 3.597 . 0 0 "[ . 1 . 2]" 1
215 1 12 GLU QB 1 14 GLY H . . 5.280 4.380 4.147 5.042 . 0 0 "[ . 1 . 2]" 1
216 1 12 GLU QG 1 13 LYS H . . 4.140 3.800 3.405 4.471 0.331 3 0 "[ . 1 . 2]" 1
217 1 13 LYS H 1 13 LYS QB . . 3.060 2.515 2.418 2.612 . 0 0 "[ . 1 . 2]" 1
218 1 13 LYS H 1 13 LYS QD . . 4.370 4.025 3.445 4.885 0.515 5 1 "[ + 1 . 2]" 1
219 1 13 LYS H 1 13 LYS HG2 . . 3.650 3.260 2.105 4.162 0.512 8 1 "[ . + 1 . 2]" 1
220 1 13 LYS H 1 13 LYS QG . . 2.970 2.721 2.089 3.218 0.248 3 0 "[ . 1 . 2]" 1
221 1 13 LYS H 1 13 LYS HG3 . . 3.650 3.464 2.578 4.377 0.727 11 3 "[ * . -+ . 2]" 1
222 1 13 LYS H 1 14 GLY H . . 2.800 2.005 1.821 2.238 . 0 0 "[ . 1 . 2]" 1
223 1 13 LYS H 1 15 PHE H . . 4.220 3.697 3.422 4.417 0.197 18 0 "[ . 1 . 2]" 1
224 1 13 LYS QB 1 14 GLY H . . 3.790 3.084 2.608 3.394 . 0 0 "[ . 1 . 2]" 1
225 1 13 LYS QB 1 15 PHE H . . 4.000 3.520 2.874 4.241 0.241 3 0 "[ . 1 . 2]" 1
226 1 13 LYS QG 1 14 GLY H . . 4.140 4.207 3.872 4.561 0.421 3 0 "[ . 1 . 2]" 1
227 1 13 LYS HG2 1 14 GLY H . . 4.900 4.733 4.052 5.299 0.399 8 0 "[ . 1 . 2]" 1
228 1 13 LYS HG3 1 14 GLY H . . 4.900 4.917 4.225 5.663 0.763 11 2 "[ - . 1+ . 2]" 1
229 1 14 GLY H 1 15 PHE H . . 3.020 2.446 2.024 3.081 0.061 18 0 "[ . 1 . 2]" 1
230 1 15 PHE H 1 16 GLY H . . 4.490 4.347 4.168 4.413 . 0 0 "[ . 1 . 2]" 1
231 1 15 PHE HB3 1 16 GLY H . . 3.270 2.188 1.798 3.299 0.029 18 0 "[ . 1 . 2]" 1
232 1 15 PHE HB3 1 28 VAL H . . 4.420 4.222 3.501 5.054 0.634 18 1 "[ . 1 . + 2]" 1
233 1 16 GLY H 1 17 PHE H . . 4.710 4.418 4.340 4.544 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLY H 1 27 PHE HA . . 4.830 4.281 3.754 5.044 0.214 6 0 "[ . 1 . 2]" 1
235 1 16 GLY H 1 28 VAL H . . 3.560 2.995 2.462 3.522 . 0 0 "[ . 1 . 2]" 1
236 1 16 GLY H 1 29 HIS HA . . 4.290 4.226 3.680 4.539 0.249 3 0 "[ . 1 . 2]" 1
237 1 16 GLY QA 1 17 PHE H . . 3.320 2.216 2.075 2.283 . 0 0 "[ . 1 . 2]" 1
238 1 16 GLY QA 1 18 ILE QG . . 4.980 4.330 4.016 4.904 . 0 0 "[ . 1 . 2]" 1
239 1 16 GLY QA 1 28 VAL H . . 4.190 3.640 3.279 3.865 . 0 0 "[ . 1 . 2]" 1
240 1 17 PHE H 1 18 ILE H . . 4.620 4.357 4.293 4.428 . 0 0 "[ . 1 . 2]" 1
241 1 17 PHE H 1 18 ILE QG . . 4.820 4.198 3.698 4.673 . 0 0 "[ . 1 . 2]" 1
242 1 17 PHE HA 1 18 ILE H . . 2.810 2.152 2.123 2.203 . 0 0 "[ . 1 . 2]" 1
243 1 17 PHE HA 1 28 VAL H . . 4.170 3.317 3.012 4.023 . 0 0 "[ . 1 . 2]" 1
244 1 18 ILE H 1 18 ILE HB . . 3.250 2.651 2.511 2.805 . 0 0 "[ . 1 . 2]" 1
245 1 18 ILE H 1 18 ILE MD . . 4.410 4.104 3.453 4.398 . 0 0 "[ . 1 . 2]" 1
246 1 18 ILE H 1 18 ILE QG . . 3.530 2.861 2.484 3.151 . 0 0 "[ . 1 . 2]" 1
247 1 18 ILE H 1 18 ILE MG . . 4.110 3.845 3.760 3.927 . 0 0 "[ . 1 . 2]" 1
248 1 18 ILE H 1 19 GLU H . . 4.790 4.438 4.378 4.528 . 0 0 "[ . 1 . 2]" 1
249 1 18 ILE H 1 25 ASP H . . 5.050 5.255 4.784 5.744 0.694 16 7 "[ **** 1 * .+- 2]" 1
250 1 18 ILE H 1 26 VAL H . . 3.240 2.821 2.368 3.343 0.103 4 0 "[ . 1 . 2]" 1
251 1 18 ILE H 1 26 VAL HB . . 3.670 2.797 2.247 3.215 . 0 0 "[ . 1 . 2]" 1
252 1 18 ILE H 1 26 VAL QG . . 4.240 3.539 3.206 3.813 . 0 0 "[ . 1 . 2]" 1
253 1 18 ILE H 1 27 PHE HA . . 5.120 4.232 3.629 4.829 . 0 0 "[ . 1 . 2]" 1
254 1 18 ILE H 1 28 VAL H . . 5.460 4.374 3.937 4.967 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE HA 1 18 ILE MD . . 4.500 3.724 2.103 3.878 . 0 0 "[ . 1 . 2]" 1
256 1 18 ILE HA 1 18 ILE MG . . 3.370 2.446 2.349 2.528 . 0 0 "[ . 1 . 2]" 1
257 1 18 ILE HA 1 19 GLU H . . 2.830 2.249 2.149 2.317 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE HB 1 18 ILE MD . . 3.610 2.486 2.392 3.234 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE HB 1 26 VAL H . . 4.130 4.057 3.383 4.581 0.451 8 0 "[ . 1 . 2]" 1
260 1 18 ILE HB 1 26 VAL HB . . 3.610 2.191 1.735 3.113 . 0 0 "[ . 1 . 2]" 1
261 1 18 ILE HB 1 26 VAL QG . . 4.150 2.878 2.311 3.678 . 0 0 "[ . 1 . 2]" 1
262 1 18 ILE HB 1 28 VAL MG1 . . 5.500 4.749 2.928 6.212 0.712 18 1 "[ . 1 . + 2]" 1
263 1 18 ILE HB 1 28 VAL QG . . 4.430 3.695 2.899 4.685 0.255 5 0 "[ . 1 . 2]" 1
264 1 18 ILE HB 1 28 VAL MG2 . . 5.500 4.320 2.918 5.897 0.397 7 0 "[ . 1 . 2]" 1
265 1 18 ILE HB 1 47 VAL QG . . 5.500 5.064 4.550 5.917 0.417 10 0 "[ . 1 . 2]" 1
266 1 18 ILE MD 1 18 ILE MG . . 3.290 1.914 1.859 1.997 . 0 0 "[ . 1 . 2]" 1
267 1 18 ILE MD 1 19 GLU H . . 5.040 4.708 3.771 4.894 . 0 0 "[ . 1 . 2]" 1
268 1 18 ILE MD 1 26 VAL HB . . 4.570 3.958 3.009 4.989 0.419 17 0 "[ . 1 . 2]" 1
269 1 18 ILE MD 1 26 VAL QG . . 4.020 3.340 2.315 4.587 0.567 17 2 "[ . 1 - . + 2]" 1
270 1 18 ILE MD 1 28 VAL HA . . 4.780 4.367 3.665 5.458 0.678 13 1 "[ . 1 + . 2]" 1
271 1 18 ILE MD 1 28 VAL HB . . 3.910 3.288 1.942 4.741 0.831 18 5 "[ ** .- 1 . + *]" 1
272 1 18 ILE MD 1 28 VAL MG1 . . 3.920 2.806 1.845 3.607 . 0 0 "[ . 1 . 2]" 1
273 1 18 ILE MD 1 28 VAL QG . . 3.200 2.136 1.833 2.491 . 0 0 "[ . 1 . 2]" 1
274 1 18 ILE MD 1 28 VAL MG2 . . 3.920 2.395 2.038 3.147 . 0 0 "[ . 1 . 2]" 1
275 1 18 ILE MD 1 41 LEU QD . . 4.330 2.963 1.957 4.062 . 0 0 "[ . 1 . 2]" 1
276 1 18 ILE MD 1 47 VAL H . . 5.500 5.040 4.030 5.981 0.481 12 0 "[ . 1 . 2]" 1
277 1 18 ILE MD 1 47 VAL QG . . 3.780 2.572 2.052 3.534 . 0 0 "[ . 1 . 2]" 1
278 1 18 ILE MD 1 60 ALA H . . 5.500 5.252 4.424 6.542 1.042 13 3 "[ . 1 + - * 2]" 1
279 1 18 ILE MD 1 60 ALA MB . . 3.530 2.828 2.119 3.977 0.447 13 0 "[ . 1 . 2]" 1
280 1 18 ILE QG 1 26 VAL H . . 4.990 5.186 4.381 5.670 0.680 4 3 "[ - +. * 1 . 2]" 1
281 1 18 ILE QG 1 26 VAL QG . . 5.010 3.897 3.220 4.846 . 0 0 "[ . 1 . 2]" 1
282 1 18 ILE QG 1 28 VAL MG1 . . 4.310 3.009 1.983 4.126 . 0 0 "[ . 1 . 2]" 1
283 1 18 ILE QG 1 28 VAL QG . . 4.680 2.191 1.766 2.823 . 0 0 "[ . 1 . 2]" 1
284 1 18 ILE QG 1 28 VAL MG2 . . 4.310 2.855 1.770 4.365 0.055 7 0 "[ . 1 . 2]" 1
285 1 18 ILE QG 1 60 ALA MB . . 5.500 4.034 2.817 5.069 . 0 0 "[ . 1 . 2]" 1
286 1 18 ILE MG 1 19 GLU H . . 3.090 2.253 2.068 2.441 . 0 0 "[ . 1 . 2]" 1
287 1 18 ILE MG 1 19 GLU HA . . 4.320 3.722 3.512 3.910 . 0 0 "[ . 1 . 2]" 1
288 1 18 ILE MG 1 26 VAL HB . . 4.270 3.428 2.842 3.910 . 0 0 "[ . 1 . 2]" 1
289 1 18 ILE MG 1 26 VAL QG . . 4.630 3.236 2.625 3.778 . 0 0 "[ . 1 . 2]" 1
290 1 18 ILE MG 1 47 VAL H . . 4.510 4.521 4.089 5.103 0.593 12 1 "[ . 1 + . 2]" 1
291 1 18 ILE MG 1 47 VAL QG . . 3.780 3.123 2.447 3.941 0.161 10 0 "[ . 1 . 2]" 1
292 1 19 GLU H 1 19 GLU QB . . 3.140 2.481 2.269 2.973 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLU H 1 19 GLU QG . . 4.030 3.525 2.012 4.121 0.091 17 0 "[ . 1 . 2]" 1
294 1 19 GLU H 1 20 ARG H . . 4.540 4.419 4.312 4.556 0.016 17 0 "[ . 1 . 2]" 1
295 1 19 GLU HA 1 24 ASP H . . 5.390 4.861 3.931 5.904 0.514 17 1 "[ . 1 . + 2]" 1
296 1 19 GLU HA 1 25 ASP H . . 4.410 3.433 2.169 4.156 . 0 0 "[ . 1 . 2]" 1
297 1 19 GLU QB 1 20 ARG H . . 3.290 3.574 2.991 3.876 0.586 11 6 "[ .- *+ ** * 2]" 1
298 1 19 GLU QG 1 20 ARG H . . 3.900 3.094 2.150 4.325 0.425 12 0 "[ . 1 . 2]" 1
299 1 20 ARG H 1 21 GLU H . . 4.550 4.447 4.336 4.584 0.034 14 0 "[ . 1 . 2]" 1
300 1 20 ARG H 1 21 GLU HA . . 5.260 5.206 5.025 5.494 0.234 9 0 "[ . 1 . 2]" 1
301 1 20 ARG H 1 24 ASP H . . 4.860 4.373 3.943 4.980 0.120 13 0 "[ . 1 . 2]" 1
302 1 20 ARG H 1 25 ASP H . . 5.300 3.872 3.213 4.392 . 0 0 "[ . 1 . 2]" 1
303 1 20 ARG H 1 26 VAL QG . . 4.620 3.476 2.836 4.065 . 0 0 "[ . 1 . 2]" 1
304 1 20 ARG HA 1 20 ARG QG . . 3.640 2.584 2.264 3.352 . 0 0 "[ . 1 . 2]" 1
305 1 20 ARG QB 1 21 GLU H . . 3.270 2.366 1.831 3.376 0.106 4 0 "[ . 1 . 2]" 1
306 1 20 ARG QB 1 23 GLY H . . 4.520 2.944 1.791 4.196 . 0 0 "[ . 1 . 2]" 1
307 1 20 ARG QB 1 24 ASP H . . 5.130 5.204 3.601 6.594 1.464 16 6 "[ .* ** .+ * -]" 1
308 1 20 ARG QB 1 26 VAL QG . . 4.090 2.977 2.177 3.704 . 0 0 "[ . 1 . 2]" 1
309 1 20 ARG QG 1 26 VAL HB . . 5.500 4.396 3.561 6.525 1.025 10 2 "[- . + . 2]" 1
310 1 21 GLU H 1 21 GLU QB . . 2.730 2.337 2.034 2.959 0.229 7 0 "[ . 1 . 2]" 1
311 1 21 GLU H 1 21 GLU QG . . 4.360 3.330 1.827 4.033 . 0 0 "[ . 1 . 2]" 1
312 1 21 GLU H 1 22 ASN H . . 3.460 2.564 2.280 2.678 . 0 0 "[ . 1 . 2]" 1
313 1 21 GLU H 1 23 GLY H . . 4.970 3.987 3.579 4.268 . 0 0 "[ . 1 . 2]" 1
314 1 21 GLU HA 1 21 GLU QG . . 3.540 2.679 2.321 3.208 . 0 0 "[ . 1 . 2]" 1
315 1 21 GLU HA 1 23 GLY H . . 3.810 3.892 3.479 4.579 0.769 13 3 "[ . *1 + - 2]" 1
316 1 21 GLU QB 1 22 ASN H . . 3.010 2.826 2.418 3.274 0.264 10 0 "[ . 1 . 2]" 1
317 1 21 GLU QB 1 23 GLY H . . 5.340 4.543 4.320 4.760 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLU QG 1 22 ASN H . . 4.220 3.941 3.470 4.655 0.435 18 0 "[ . 1 . 2]" 1
319 1 21 GLU QG 1 23 GLY H . . 4.960 5.236 4.772 5.664 0.704 16 5 "[ * . * * .+ - 2]" 1
320 1 22 ASN H 1 22 ASN HB2 . . 3.700 2.656 2.316 3.650 . 0 0 "[ . 1 . 2]" 1
321 1 22 ASN H 1 22 ASN QB . . 3.030 2.414 2.235 2.605 . 0 0 "[ . 1 . 2]" 1
322 1 22 ASN H 1 22 ASN HB3 . . 3.700 3.081 2.407 3.745 0.045 8 0 "[ . 1 . 2]" 1
323 1 22 ASN H 1 23 GLY H . . 3.440 2.435 2.110 2.737 . 0 0 "[ . 1 . 2]" 1
324 1 22 ASN HA 1 23 GLY H . . 3.320 3.224 3.045 3.448 0.128 1 0 "[ . 1 . 2]" 1
325 1 22 ASN HA 1 23 GLY QA . . 4.620 4.125 4.040 4.222 . 0 0 "[ . 1 . 2]" 1
326 1 22 ASN QB 1 23 GLY H . . 4.360 3.460 3.016 3.834 . 0 0 "[ . 1 . 2]" 1
327 1 23 GLY H 1 24 ASP H . . 4.540 4.033 3.436 4.434 . 0 0 "[ . 1 . 2]" 1
328 1 23 GLY H 1 24 ASP QB . . 5.060 4.926 4.388 5.607 0.547 6 1 "[ .+ 1 . 2]" 1
329 1 23 GLY QA 1 24 ASP H . . 3.110 2.177 2.101 2.289 . 0 0 "[ . 1 . 2]" 1
330 1 24 ASP H 1 24 ASP QB . . 3.050 2.795 2.496 3.026 . 0 0 "[ . 1 . 2]" 1
331 1 24 ASP H 1 25 ASP H . . 4.620 3.731 3.108 4.580 . 0 0 "[ . 1 . 2]" 1
332 1 24 ASP HA 1 25 ASP H . . 2.640 2.461 2.098 2.586 . 0 0 "[ . 1 . 2]" 1
333 1 24 ASP QB 1 25 ASP H . . 3.410 3.586 2.313 4.052 0.642 12 13 "[* *-** * **+ .* ***]" 1
334 1 25 ASP H 1 25 ASP QB . . 3.480 2.997 2.520 3.357 . 0 0 "[ . 1 . 2]" 1
335 1 25 ASP H 1 26 VAL H . . 4.100 2.760 1.800 3.513 . 0 0 "[ . 1 . 2]" 1
336 1 26 VAL H 1 26 VAL HB . . 3.120 2.608 2.526 2.836 . 0 0 "[ . 1 . 2]" 1
337 1 26 VAL H 1 26 VAL QG . . 3.160 2.394 2.171 2.852 . 0 0 "[ . 1 . 2]" 1
338 1 26 VAL H 1 27 PHE H . . 4.600 4.400 4.201 4.553 . 0 0 "[ . 1 . 2]" 1
339 1 26 VAL HA 1 27 PHE H . . 2.800 2.160 2.120 2.222 . 0 0 "[ . 1 . 2]" 1
340 1 26 VAL HA 1 58 PRO HB2 . . 4.730 3.364 2.214 4.218 . 0 0 "[ . 1 . 2]" 1
341 1 26 VAL HA 1 58 PRO QG . . 4.430 3.269 2.289 4.642 0.212 20 0 "[ . 1 . 2]" 1
342 1 26 VAL HB 1 27 PHE H . . 4.510 4.175 3.978 4.320 . 0 0 "[ . 1 . 2]" 1
343 1 26 VAL QG 1 27 PHE H . . 3.380 2.691 2.390 2.938 . 0 0 "[ . 1 . 2]" 1
344 1 26 VAL QG 1 28 VAL QG . . 4.420 3.500 2.587 4.127 . 0 0 "[ . 1 . 2]" 1
345 1 26 VAL QG 1 51 VAL HA . . 4.350 4.053 3.290 4.640 0.290 20 0 "[ . 1 . 2]" 1
346 1 26 VAL QG 1 58 PRO HB2 . . 3.800 2.626 2.035 3.582 . 0 0 "[ . 1 . 2]" 1
347 1 26 VAL QG 1 58 PRO QG . . 3.660 3.083 2.233 4.328 0.668 16 1 "[ . 1 .+ 2]" 1
348 1 26 VAL QG 1 59 GLN H . . 4.880 4.179 3.682 5.430 0.550 16 1 "[ . 1 .+ 2]" 1
349 1 26 VAL QG 1 59 GLN HA . . 3.700 3.137 2.697 4.157 0.457 16 0 "[ . 1 . 2]" 1
350 1 26 VAL QG 1 59 GLN QB . . 5.340 4.406 4.020 5.297 . 0 0 "[ . 1 . 2]" 1
351 1 26 VAL QG 1 60 ALA H . . 3.460 2.974 2.512 3.446 . 0 0 "[ . 1 . 2]" 1
352 1 26 VAL QG 1 60 ALA HA . . 4.110 3.264 2.688 3.838 . 0 0 "[ . 1 . 2]" 1
353 1 26 VAL QG 1 60 ALA MB . . 3.060 2.092 1.805 2.815 . 0 0 "[ . 1 . 2]" 1
354 1 26 VAL QG 1 61 ALA H . . 5.500 4.860 4.189 5.336 . 0 0 "[ . 1 . 2]" 1
355 1 27 PHE H 1 27 PHE HB2 . . 3.100 2.441 2.220 2.556 . 0 0 "[ . 1 . 2]" 1
356 1 27 PHE H 1 27 PHE HB3 . . 3.800 3.565 2.641 3.731 . 0 0 "[ . 1 . 2]" 1
357 1 27 PHE H 1 28 VAL H . . 4.560 4.390 4.283 4.587 0.027 2 0 "[ . 1 . 2]" 1
358 1 27 PHE H 1 58 PRO HB2 . . 5.400 4.186 3.118 4.854 . 0 0 "[ . 1 . 2]" 1
359 1 27 PHE H 1 58 PRO QG . . 4.720 4.353 3.226 5.706 0.986 20 3 "[ *. - 1 . +]" 1
360 1 27 PHE H 1 59 GLN H . . 5.500 4.938 4.565 5.555 0.055 8 0 "[ . 1 . 2]" 1
361 1 27 PHE H 1 60 ALA H . . 4.910 4.045 3.648 4.605 . 0 0 "[ . 1 . 2]" 1
362 1 27 PHE HA 1 28 VAL H . . 2.750 2.156 2.111 2.242 . 0 0 "[ . 1 . 2]" 1
363 1 27 PHE QB 1 59 GLN HA . . 4.480 2.666 2.154 3.399 . 0 0 "[ . 1 . 2]" 1
364 1 27 PHE HB2 1 28 VAL H . . 4.600 4.355 4.184 4.470 . 0 0 "[ . 1 . 2]" 1
365 1 27 PHE HB3 1 28 VAL H . . 3.950 3.589 3.003 3.874 . 0 0 "[ . 1 . 2]" 1
366 1 28 VAL H 1 29 HIS H . . 4.450 4.480 4.285 4.554 0.104 19 0 "[ . 1 . 2]" 1
367 1 28 VAL H 1 29 HIS HA . . 5.100 5.145 4.943 5.278 0.178 14 0 "[ . 1 . 2]" 1
368 1 28 VAL H 1 60 ALA MB . . 5.020 4.238 3.693 5.342 0.322 10 0 "[ . 1 . 2]" 1
369 1 28 VAL HA 1 60 ALA MB . . 3.810 2.325 1.729 3.968 0.158 10 0 "[ . 1 . 2]" 1
370 1 28 VAL HB 1 60 ALA MB . . 3.890 3.430 2.140 5.152 1.262 20 2 "[ - . 1 . +]" 1
371 1 28 VAL QG 1 60 ALA MB . . 4.230 2.167 1.751 3.080 . 0 0 "[ . 1 . 2]" 1
372 1 29 HIS H 1 29 HIS QB . . 3.320 2.800 2.327 3.256 . 0 0 "[ . 1 . 2]" 1
373 1 29 HIS H 1 30 PHE H . . 4.670 4.457 4.326 4.573 . 0 0 "[ . 1 . 2]" 1
374 1 29 HIS H 1 32 ALA H . . 4.430 4.106 3.543 4.743 0.313 18 0 "[ . 1 . 2]" 1
375 1 29 HIS H 1 32 ALA MB . . 3.790 3.129 2.409 3.888 0.098 1 0 "[ . 1 . 2]" 1
376 1 29 HIS H 1 33 ILE MD . . 5.350 4.878 3.380 6.513 1.163 2 6 "[-+**. * . * 2]" 1
377 1 29 HIS H 1 60 ALA MB . . 4.430 3.599 2.468 5.379 0.949 10 1 "[ . + . 2]" 1
378 1 29 HIS HA 1 30 PHE H . . 2.750 2.358 2.203 2.653 . 0 0 "[ . 1 . 2]" 1
379 1 29 HIS QB 1 30 PHE H . . 3.510 2.678 2.069 3.392 . 0 0 "[ . 1 . 2]" 1
380 1 29 HIS QB 1 31 SER H . . 3.840 2.726 2.031 3.336 . 0 0 "[ . 1 . 2]" 1
381 1 29 HIS QB 1 32 ALA H . . 4.020 3.887 2.888 4.873 0.853 1 2 "[+ . 1 .- 2]" 1
382 1 29 HIS HB2 1 30 PHE H . . 4.090 3.262 2.336 4.166 0.076 3 0 "[ . 1 . 2]" 1
383 1 29 HIS HB2 1 31 SER H . . 4.500 3.280 2.560 4.320 . 0 0 "[ . 1 . 2]" 1
384 1 29 HIS HB3 1 30 PHE H . . 4.090 3.319 2.088 3.939 . 0 0 "[ . 1 . 2]" 1
385 1 29 HIS HB3 1 31 SER H . . 4.500 3.571 2.047 4.897 0.397 16 0 "[ . 1 . 2]" 1
386 1 30 PHE H 1 30 PHE QB . . 3.490 2.406 2.175 2.667 . 0 0 "[ . 1 . 2]" 1
387 1 30 PHE H 1 31 SER H . . 3.720 2.685 2.467 2.877 . 0 0 "[ . 1 . 2]" 1
388 1 30 PHE H 1 32 ALA H . . 4.440 4.273 3.847 4.606 0.166 12 0 "[ . 1 . 2]" 1
389 1 30 PHE H 1 32 ALA MB . . 5.500 5.260 4.577 5.798 0.298 1 0 "[ . 1 . 2]" 1
390 1 30 PHE H 1 33 ILE H . . 5.250 5.404 5.039 5.713 0.463 16 0 "[ . 1 . 2]" 1
391 1 30 PHE H 1 33 ILE HB . . 5.100 5.735 4.588 6.483 1.383 6 13 "[ - *.+***1****** *]" 1
392 1 30 PHE HA 1 33 ILE MD . . 4.480 2.922 1.747 5.247 0.767 4 1 "[ +. 1 . 2]" 1
393 1 30 PHE QB 1 31 SER H . . 4.220 3.257 2.618 3.920 . 0 0 "[ . 1 . 2]" 1
394 1 30 PHE QB 1 32 ALA H . . 5.340 4.574 4.332 4.829 . 0 0 "[ . 1 . 2]" 1
395 1 30 PHE QB 1 39 LYS QB . . 4.130 5.300 2.325 6.071 1.941 20 18 "[****** * **-*******+]" 1
396 1 31 SER H 1 31 SER HB2 . . 3.530 2.870 2.422 3.571 0.041 6 0 "[ . 1 . 2]" 1
397 1 31 SER H 1 31 SER QB . . 3.010 2.524 2.238 2.808 . 0 0 "[ . 1 . 2]" 1
398 1 31 SER H 1 31 SER HB3 . . 3.530 3.050 2.507 3.619 0.089 1 0 "[ . 1 . 2]" 1
399 1 31 SER H 1 32 ALA H . . 3.380 2.568 2.398 2.851 . 0 0 "[ . 1 . 2]" 1
400 1 31 SER H 1 32 ALA HA . . 5.400 5.149 5.006 5.309 . 0 0 "[ . 1 . 2]" 1
401 1 31 SER H 1 32 ALA MB . . 4.640 4.198 4.032 4.389 . 0 0 "[ . 1 . 2]" 1
402 1 31 SER H 1 33 ILE H . . 4.130 4.152 3.974 4.442 0.312 16 0 "[ . 1 . 2]" 1
403 1 31 SER HA 1 33 ILE H . . 4.880 3.919 3.544 4.329 . 0 0 "[ . 1 . 2]" 1
404 1 31 SER QB 1 32 ALA H . . 3.440 3.341 2.773 3.832 0.392 18 0 "[ . 1 . 2]" 1
405 1 32 ALA H 1 32 ALA MB . . 2.620 2.351 2.262 2.559 . 0 0 "[ . 1 . 2]" 1
406 1 32 ALA H 1 33 ILE H . . 2.890 2.243 1.992 2.402 . 0 0 "[ . 1 . 2]" 1
407 1 32 ALA H 1 33 ILE HB . . 4.200 4.237 3.605 4.713 0.513 13 1 "[ . 1 + . 2]" 1
408 1 32 ALA H 1 62 ASN H . . 5.500 5.291 4.182 5.646 0.146 12 0 "[ . 1 . 2]" 1
409 1 32 ALA HA 1 61 ALA HA . . 4.560 3.702 2.262 4.826 0.266 5 0 "[ . 1 . 2]" 1
410 1 32 ALA HA 1 61 ALA MB . . 5.500 4.288 3.091 5.691 0.191 12 0 "[ . 1 . 2]" 1
411 1 32 ALA HA 1 62 ASN H . . 3.770 2.940 1.761 3.924 0.154 5 0 "[ . 1 . 2]" 1
412 1 32 ALA HA 1 63 VAL QG . . 4.770 4.051 2.883 4.595 . 0 0 "[ . 1 . 2]" 1
413 1 32 ALA MB 1 33 ILE MD . . 5.140 3.546 2.286 5.119 . 0 0 "[ . 1 . 2]" 1
414 1 32 ALA MB 1 60 ALA H . . 5.350 4.914 4.238 5.559 0.209 15 0 "[ . 1 . 2]" 1
415 1 32 ALA MB 1 61 ALA H . . 4.420 4.067 3.603 4.446 0.026 5 0 "[ . 1 . 2]" 1
416 1 32 ALA MB 1 61 ALA HA . . 3.170 2.012 1.700 2.860 . 0 0 "[ . 1 . 2]" 1
417 1 32 ALA MB 1 61 ALA MB . . 3.690 3.185 2.599 4.099 0.409 12 0 "[ . 1 . 2]" 1
418 1 32 ALA MB 1 62 ASN H . . 3.350 2.365 1.751 3.437 0.087 14 0 "[ . 1 . 2]" 1
419 1 32 ALA MB 1 62 ASN HA . . 4.630 3.659 2.861 4.505 . 0 0 "[ . 1 . 2]" 1
420 1 32 ALA MB 1 62 ASN QB . . 5.090 4.678 4.251 5.152 0.062 14 0 "[ . 1 . 2]" 1
421 1 32 ALA MB 1 63 VAL QG . . 3.240 2.502 1.778 3.127 . 0 0 "[ . 1 . 2]" 1
422 1 33 ILE H 1 33 ILE HB . . 2.830 2.463 2.184 2.821 . 0 0 "[ . 1 . 2]" 1
423 1 33 ILE H 1 33 ILE MG . . 3.450 3.158 1.953 3.798 0.348 11 0 "[ . 1 . 2]" 1
424 1 33 ILE H 1 34 GLN H . . 4.710 4.563 4.459 4.635 . 0 0 "[ . 1 . 2]" 1
425 1 33 ILE H 1 34 GLN HA . . 5.500 5.391 5.135 5.760 0.260 3 0 "[ . 1 . 2]" 1
426 1 33 ILE HA 1 33 ILE MD . . 3.890 2.421 1.857 3.822 . 0 0 "[ . 1 . 2]" 1
427 1 33 ILE HA 1 33 ILE QG . . 3.720 2.602 2.288 3.040 . 0 0 "[ . 1 . 2]" 1
428 1 33 ILE HA 1 33 ILE MG . . 3.510 2.773 2.322 3.219 . 0 0 "[ . 1 . 2]" 1
429 1 33 ILE HA 1 34 GLN H . . 2.770 2.212 2.128 2.316 . 0 0 "[ . 1 . 2]" 1
430 1 33 ILE HA 1 41 LEU QD . . 4.840 4.083 3.333 4.693 . 0 0 "[ . 1 . 2]" 1
431 1 33 ILE HA 1 63 VAL HB . . 4.180 2.929 2.107 4.589 0.409 6 0 "[ . 1 . 2]" 1
432 1 33 ILE HA 1 63 VAL QG . . 3.610 2.679 1.766 3.860 0.250 14 0 "[ . 1 . 2]" 1
433 1 33 ILE HB 1 33 ILE MD . . 3.500 2.524 2.352 3.241 . 0 0 "[ . 1 . 2]" 1
434 1 33 ILE HB 1 34 GLN H . . 4.370 4.113 3.829 4.383 0.013 20 0 "[ . 1 . 2]" 1
435 1 33 ILE HB 1 39 LYS HA . . 3.980 4.855 3.145 6.531 2.551 5 15 "[****+ - **** .*****]" 1
436 1 33 ILE MD 1 33 ILE MG . . 3.250 2.987 1.908 3.256 0.006 17 0 "[ . 1 . 2]" 1
437 1 33 ILE MD 1 34 GLN H . . 3.950 3.617 2.086 4.741 0.791 7 8 "[ .*+ *1 * -** *]" 1
438 1 33 ILE MD 1 39 LYS HA . . 4.900 4.572 2.307 5.996 1.096 20 5 "[ . 1 * -* *+]" 1
439 1 33 ILE MD 1 40 SER H . . 4.520 5.493 3.648 6.834 2.314 12 15 "[ *** **1*+*****-**]" 1
440 1 33 ILE MD 1 40 SER HA . . 4.610 4.509 2.723 5.641 1.031 15 5 "[- . 1 * *+ * 2]" 1
441 1 33 ILE MD 1 41 LEU H . . 4.230 4.763 3.483 6.011 1.781 15 11 "[** .* *1 * *+ ***-]" 1
442 1 33 ILE MD 1 41 LEU QD . . 3.770 2.484 1.932 3.329 . 0 0 "[ . 1 . 2]" 1
443 1 33 ILE MD 1 63 VAL HB . . 5.160 3.701 1.915 5.137 . 0 0 "[ . 1 . 2]" 1
444 1 33 ILE QG 1 40 SER H . . 4.540 5.027 3.815 6.224 1.684 13 8 "[ . ** 1**+ - * *2]" 1
445 1 33 ILE QG 1 41 LEU QD . . 4.120 3.174 1.956 4.016 . 0 0 "[ . 1 . 2]" 1
446 1 33 ILE MG 1 34 GLN H . . 3.560 2.876 2.144 3.904 0.344 18 0 "[ . 1 . 2]" 1
447 1 33 ILE MG 1 34 GLN HA . . 4.580 3.821 3.051 4.351 . 0 0 "[ . 1 . 2]" 1
448 1 33 ILE MG 1 35 GLY H . . 5.090 4.712 1.832 5.433 0.343 1 0 "[ . 1 . 2]" 1
449 1 33 ILE MG 1 39 LYS HA . . 4.280 2.938 2.121 4.057 . 0 0 "[ . 1 . 2]" 1
450 1 33 ILE MG 1 40 SER H . . 4.370 4.770 3.528 6.013 1.643 18 9 "[***** * *. -+ 2]" 1
451 1 34 GLN H 1 34 GLN HB2 . . 3.870 3.675 3.587 3.891 0.021 18 0 "[ . 1 . 2]" 1
452 1 34 GLN H 1 34 GLN HB3 . . 3.120 2.841 2.486 3.565 0.445 19 0 "[ . 1 . 2]" 1
453 1 34 GLN H 1 34 GLN QG . . 3.110 2.325 1.753 3.240 0.130 16 0 "[ . 1 . 2]" 1
454 1 34 GLN H 1 35 GLY H . . 4.770 4.394 2.732 4.610 . 0 0 "[ . 1 . 2]" 1
455 1 34 GLN H 1 39 LYS HA . . 5.500 5.361 3.439 6.532 1.032 4 7 "[ +.** *1 .* - *]" 1
456 1 34 GLN H 1 63 VAL H . . 4.520 4.347 3.645 5.302 0.782 19 2 "[ . 1 - . +2]" 1
457 1 34 GLN H 1 63 VAL HB . . 4.150 3.257 2.225 5.387 1.237 6 1 "[ .+ 1 . 2]" 1
458 1 34 GLN HA 1 34 GLN QG . . 3.510 3.390 3.329 3.511 0.001 14 0 "[ . 1 . 2]" 1
459 1 34 GLN HA 1 35 GLY H . . 3.550 2.539 2.126 3.154 . 0 0 "[ . 1 . 2]" 1
460 1 34 GLN HA 1 35 GLY QA . . 4.520 3.953 3.848 4.198 . 0 0 "[ . 1 . 2]" 1
461 1 34 GLN HB2 1 35 GLY H . . 3.900 2.468 1.768 4.504 0.604 7 1 "[ . + 1 . 2]" 1
462 1 34 GLN HB3 1 35 GLY H . . 4.160 3.753 3.332 4.400 0.240 7 0 "[ . 1 . 2]" 1
463 1 34 GLN HB3 1 63 VAL H . . 4.640 4.459 3.423 5.549 0.909 12 2 "[ - . 1 + . 2]" 1
464 1 34 GLN QE 1 35 GLY H . . 5.340 5.095 3.422 6.632 1.292 20 4 "[ * . - 1 * +]" 1
465 1 34 GLN QE 1 47 VAL QG . . 4.070 5.021 3.408 6.077 2.007 4 15 "[ **+. - ***** ******]" 1
466 1 34 GLN QE 1 65 LYS HA . . 3.930 4.640 3.532 5.686 1.756 5 15 "[ **+ *** *****-***]" 1
467 1 34 GLN QE 1 65 LYS QB . . 3.590 3.354 2.002 4.916 1.326 5 5 "[ +* 1 - *.* 2]" 1
468 1 34 GLN QE 1 65 LYS QD . . 4.020 4.381 3.102 5.074 1.054 9 11 "[ * *. +1-** **** *]" 1
469 1 34 GLN QG 1 35 GLY H . . 4.300 3.504 2.531 4.326 0.026 9 0 "[ . 1 . 2]" 1
470 1 35 GLY QA 1 36 ASP H . . 3.440 2.192 2.042 2.284 . 0 0 "[ . 1 . 2]" 1
471 1 36 ASP H 1 36 ASP HB2 . . 3.720 3.057 2.383 3.717 . 0 0 "[ . 1 . 2]" 1
472 1 36 ASP H 1 36 ASP QB . . 3.150 2.801 2.250 3.474 0.324 19 0 "[ . 1 . 2]" 1
473 1 36 ASP H 1 36 ASP HB3 . . 3.720 3.461 2.332 4.171 0.451 19 0 "[ . 1 . 2]" 1
474 1 36 ASP HA 1 37 GLY H . . 2.850 3.019 2.117 3.571 0.721 10 11 "[ * -.** + * *.* ***]" 1
475 1 36 ASP QB 1 37 GLY H . . 4.090 2.903 1.822 4.034 . 0 0 "[ . 1 . 2]" 1
476 1 36 ASP HB2 1 37 GLY H . . 4.790 3.533 1.861 4.605 . 0 0 "[ . 1 . 2]" 1
477 1 36 ASP HB3 1 37 GLY H . . 4.790 3.401 1.902 4.475 . 0 0 "[ . 1 . 2]" 1
478 1 37 GLY H 1 38 PHE H . . 4.210 2.750 1.755 4.368 0.158 8 0 "[ . 1 . 2]" 1
479 1 37 GLY H 1 38 PHE QB . . 5.500 4.768 3.491 6.274 0.774 8 1 "[ . + 1 . 2]" 1
480 1 37 GLY QA 1 38 PHE H . . 3.450 2.578 2.120 2.880 . 0 0 "[ . 1 . 2]" 1
481 1 38 PHE H 1 38 PHE QB . . 2.980 2.562 2.372 2.791 . 0 0 "[ . 1 . 2]" 1
482 1 38 PHE HA 1 39 LYS H . . 3.230 2.255 2.122 2.475 . 0 0 "[ . 1 . 2]" 1
483 1 38 PHE HA 1 40 SER H . . 4.850 3.391 2.912 4.047 . 0 0 "[ . 1 . 2]" 1
484 1 38 PHE QB 1 39 LYS H . . 4.050 3.289 2.324 4.002 . 0 0 "[ . 1 . 2]" 1
485 1 38 PHE QB 1 40 SER H . . 4.030 3.047 2.154 4.252 0.222 17 0 "[ . 1 . 2]" 1
486 1 39 LYS H 1 39 LYS HB2 . . 4.100 3.707 3.566 4.090 . 0 0 "[ . 1 . 2]" 1
487 1 39 LYS H 1 39 LYS HB3 . . 4.100 3.005 2.469 3.524 . 0 0 "[ . 1 . 2]" 1
488 1 39 LYS H 1 39 LYS QD . . 3.630 2.615 1.696 4.136 0.506 14 1 "[ . 1 +. 2]" 1
489 1 39 LYS H 1 39 LYS QG . . 4.270 2.410 1.763 3.396 . 0 0 "[ . 1 . 2]" 1
490 1 39 LYS H 1 40 SER H . . 3.870 2.268 1.756 2.882 . 0 0 "[ . 1 . 2]" 1
491 1 39 LYS HA 1 39 LYS QG . . 3.680 3.441 3.383 3.502 . 0 0 "[ . 1 . 2]" 1
492 1 39 LYS HA 1 40 SER H . . 3.170 3.174 2.946 3.487 0.317 14 0 "[ . 1 . 2]" 1
493 1 39 LYS QB 1 40 SER H . . 4.330 3.862 3.512 4.013 . 0 0 "[ . 1 . 2]" 1
494 1 39 LYS QD 1 40 SER H . . 3.500 3.031 2.467 4.061 0.561 10 1 "[ . + . 2]" 1
495 1 39 LYS QG 1 40 SER H . . 5.020 3.465 2.099 3.987 . 0 0 "[ . 1 . 2]" 1
496 1 40 SER H 1 40 SER QB . . 3.220 2.718 2.465 3.300 0.080 16 0 "[ . 1 . 2]" 1
497 1 40 SER H 1 41 LEU H . . 4.490 4.422 4.279 4.572 0.082 19 0 "[ . 1 . 2]" 1
498 1 40 SER H 1 41 LEU QD . . 5.060 4.460 3.914 5.784 0.724 19 1 "[ . 1 . +2]" 1
499 1 40 SER QB 1 41 LEU H . . 3.230 2.836 2.119 3.643 0.413 2 0 "[ . 1 . 2]" 1
500 1 41 LEU H 1 41 LEU HB2 . . 3.930 2.535 2.442 2.699 . 0 0 "[ . 1 . 2]" 1
501 1 41 LEU H 1 41 LEU QB . . 3.120 2.481 2.396 2.575 . 0 0 "[ . 1 . 2]" 1
502 1 41 LEU H 1 41 LEU HB3 . . 3.930 3.648 2.681 3.759 . 0 0 "[ . 1 . 2]" 1
503 1 41 LEU H 1 41 LEU QD . . 4.900 3.371 2.437 3.799 . 0 0 "[ . 1 . 2]" 1
504 1 41 LEU H 1 42 ASP H . . 4.560 4.449 4.349 4.515 . 0 0 "[ . 1 . 2]" 1
505 1 41 LEU HA 1 41 LEU MD1 . . 4.030 3.654 1.886 3.869 . 0 0 "[ . 1 . 2]" 1
506 1 41 LEU HA 1 41 LEU QD . . 2.880 1.979 1.862 2.059 . 0 0 "[ . 1 . 2]" 1
507 1 41 LEU HA 1 41 LEU MD2 . . 4.030 2.130 1.898 3.829 . 0 0 "[ . 1 . 2]" 1
508 1 41 LEU HA 1 41 LEU HG . . 3.800 3.140 2.998 3.700 . 0 0 "[ . 1 . 2]" 1
509 1 41 LEU HA 1 42 ASP H . . 2.710 2.239 2.123 2.564 . 0 0 "[ . 1 . 2]" 1
510 1 41 LEU HA 1 65 LYS QE . . 4.930 5.340 4.110 6.035 1.105 8 9 "[- * . *+** *.* * 2]" 1
511 1 41 LEU QB 1 42 ASP H . . 3.360 2.867 2.060 3.699 0.339 19 0 "[ . 1 . 2]" 1
512 1 41 LEU QD 1 42 ASP H . . 3.410 3.317 2.593 3.603 0.193 11 0 "[ . 1 . 2]" 1
513 1 41 LEU QD 1 45 GLN QE . . 3.930 2.437 2.005 3.823 . 0 0 "[ . 1 . 2]" 1
514 1 41 LEU QD 1 45 GLN QG . . 4.800 3.575 3.211 4.079 . 0 0 "[ . 1 . 2]" 1
515 1 41 LEU QD 1 47 VAL HA . . 5.440 5.367 4.692 6.514 1.074 12 1 "[ . 1 + . 2]" 1
516 1 41 LEU QD 1 47 VAL QG . . 3.790 2.305 1.735 3.221 . 0 0 "[ . 1 . 2]" 1
517 1 41 LEU QD 1 63 VAL HB . . 5.260 3.930 3.236 4.682 . 0 0 "[ . 1 . 2]" 1
518 1 41 LEU QD 1 63 VAL QG . . 3.960 2.260 1.699 2.789 . 0 0 "[ . 1 . 2]" 1
519 1 41 LEU QD 1 65 LYS QD . . 4.660 3.794 2.469 4.385 . 0 0 "[ . 1 . 2]" 1
520 1 41 LEU QD 1 65 LYS QE . . 3.450 3.969 2.563 4.567 1.117 1 12 "[+ * - **** * *** * 2]" 1
521 1 41 LEU QD 1 65 LYS QG . . 5.430 5.370 4.136 6.039 0.609 12 1 "[ . 1 + . 2]" 1
522 1 41 LEU MD1 1 45 GLN HE21 . . 6.280 3.973 2.157 6.026 . 0 0 "[ . 1 . 2]" 1
523 1 41 LEU MD1 1 45 GLN HE22 . . 6.280 4.540 2.405 5.684 . 0 0 "[ . 1 . 2]" 1
524 1 41 LEU MD2 1 45 GLN HE21 . . 6.280 3.068 2.354 5.843 . 0 0 "[ . 1 . 2]" 1
525 1 41 LEU MD2 1 45 GLN HE22 . . 6.280 2.968 2.184 5.349 . 0 0 "[ . 1 . 2]" 1
526 1 41 LEU HG 1 42 ASP H . . 4.930 4.903 3.013 5.199 0.269 11 0 "[ . 1 . 2]" 1
527 1 42 ASP H 1 42 ASP QB . . 2.990 2.437 2.262 2.789 . 0 0 "[ . 1 . 2]" 1
528 1 42 ASP H 1 43 GLU H . . 4.550 4.453 4.221 4.533 . 0 0 "[ . 1 . 2]" 1
529 1 42 ASP H 1 45 GLN H . . 5.210 4.896 4.297 5.168 . 0 0 "[ . 1 . 2]" 1
530 1 42 ASP H 1 45 GLN QB . . 4.020 4.152 3.678 4.533 0.513 8 1 "[ . + 1 . 2]" 1
531 1 42 ASP H 1 47 VAL QG . . 4.450 4.742 4.093 5.298 0.848 16 7 "[ * .- * 1** .+* 2]" 1
532 1 42 ASP HA 1 43 GLU H . . 2.510 2.147 2.089 2.212 . 0 0 "[ . 1 . 2]" 1
533 1 42 ASP QB 1 43 GLU H . . 3.480 3.253 2.754 3.794 0.314 6 0 "[ . 1 . 2]" 1
534 1 42 ASP QB 1 45 GLN H . . 4.830 3.870 3.397 4.857 0.027 13 0 "[ . 1 . 2]" 1
535 1 42 ASP QB 1 45 GLN QB . . 4.180 2.886 1.996 4.582 0.402 11 0 "[ . 1 . 2]" 1
536 1 43 GLU H 1 43 GLU QB . . 2.910 2.710 2.435 2.963 0.053 18 0 "[ . 1 . 2]" 1
537 1 43 GLU H 1 43 GLU HG2 . . 3.390 2.915 1.785 3.655 0.265 7 0 "[ . 1 . 2]" 1
538 1 43 GLU H 1 43 GLU HG3 . . 3.390 2.464 1.718 3.683 0.293 16 0 "[ . 1 . 2]" 1
539 1 43 GLU H 1 44 GLY H . . 4.530 4.503 4.391 4.588 0.058 8 0 "[ . 1 . 2]" 1
540 1 43 GLU H 1 45 GLN H . . 4.970 4.758 4.559 4.916 . 0 0 "[ . 1 . 2]" 1
541 1 43 GLU HA 1 43 GLU QG . . 3.590 3.214 2.430 3.538 . 0 0 "[ . 1 . 2]" 1
542 1 43 GLU HA 1 44 GLY H . . 2.570 2.139 2.092 2.180 . 0 0 "[ . 1 . 2]" 1
543 1 43 GLU QB 1 44 GLY H . . 3.820 3.215 2.920 3.478 . 0 0 "[ . 1 . 2]" 1
544 1 43 GLU QG 1 44 GLY H . . 4.710 4.513 4.114 4.840 0.130 14 0 "[ . 1 . 2]" 1
545 1 44 GLY H 1 45 GLN H . . 3.050 2.457 2.255 2.654 . 0 0 "[ . 1 . 2]" 1
546 1 44 GLY H 1 45 GLN HA . . 4.870 4.951 4.817 5.093 0.223 2 0 "[ . 1 . 2]" 1
547 1 44 GLY H 1 45 GLN QB . . 5.070 4.807 4.598 5.019 . 0 0 "[ . 1 . 2]" 1
548 1 44 GLY QA 1 45 GLN H . . 3.490 2.928 2.880 2.980 . 0 0 "[ . 1 . 2]" 1
549 1 45 GLN H 1 45 GLN QB . . 2.800 2.563 2.443 2.806 0.006 3 0 "[ . 1 . 2]" 1
550 1 45 GLN H 1 45 GLN QG . . 3.150 2.365 2.194 2.513 . 0 0 "[ . 1 . 2]" 1
551 1 45 GLN H 1 46 ALA H . . 4.660 4.584 4.522 4.607 . 0 0 "[ . 1 . 2]" 1
552 1 45 GLN H 1 47 VAL QG . . 4.920 4.855 4.585 5.156 0.236 17 0 "[ . 1 . 2]" 1
553 1 45 GLN HA 1 45 GLN QG . . 3.780 3.329 3.295 3.374 . 0 0 "[ . 1 . 2]" 1
554 1 45 GLN HA 1 46 ALA H . . 2.520 2.284 2.177 2.382 . 0 0 "[ . 1 . 2]" 1
555 1 45 GLN HA 1 46 ALA HA . . 4.440 4.351 4.263 4.383 . 0 0 "[ . 1 . 2]" 1
556 1 45 GLN HA 1 46 ALA MB . . 4.300 3.959 3.861 4.002 . 0 0 "[ . 1 . 2]" 1
557 1 45 GLN HA 1 47 VAL QG . . 4.690 4.875 4.537 5.127 0.437 2 0 "[ . 1 . 2]" 1
558 1 45 GLN QB 1 46 ALA H . . 4.360 2.722 2.597 2.923 . 0 0 "[ . 1 . 2]" 1
559 1 45 GLN QB 1 47 VAL QG . . 4.270 3.682 3.133 4.105 . 0 0 "[ . 1 . 2]" 1
560 1 45 GLN QB 1 65 LYS QD . . 4.610 4.761 3.084 5.270 0.660 15 4 "[ *. 1 -+ *2]" 1
561 1 45 GLN QB 1 65 LYS QE . . 4.900 3.793 2.768 4.986 0.086 19 0 "[ . 1 . 2]" 1
562 1 45 GLN QE 1 65 LYS QE . . 3.890 3.080 1.912 3.774 . 0 0 "[ . 1 . 2]" 1
563 1 45 GLN QG 1 46 ALA H . . 3.420 3.434 3.082 3.880 0.460 3 0 "[ . 1 . 2]" 1
564 1 45 GLN QG 1 46 ALA MB . . 4.590 4.533 4.265 4.939 0.349 3 0 "[ . 1 . 2]" 1
565 1 45 GLN QG 1 47 VAL QG . . 3.460 2.274 1.929 3.013 . 0 0 "[ . 1 . 2]" 1
566 1 45 GLN QG 1 65 LYS HA . . 5.020 5.950 5.580 6.248 1.228 13 20 [**********-*+*******] 1
567 1 45 GLN QG 1 65 LYS QD . . 4.120 4.413 3.700 4.868 0.748 13 4 "[ .* 1 *+ . -2]" 1
568 1 45 GLN QG 1 65 LYS QG . . 5.390 5.967 5.435 6.210 0.820 18 13 "[ **- ** ******+ *]" 1
569 1 46 ALA H 1 46 ALA MB . . 2.640 2.327 2.281 2.380 . 0 0 "[ . 1 . 2]" 1
570 1 46 ALA H 1 47 VAL H . . 4.690 4.502 4.348 4.578 . 0 0 "[ . 1 . 2]" 1
571 1 46 ALA H 1 47 VAL QG . . 4.570 4.006 3.749 4.213 . 0 0 "[ . 1 . 2]" 1
572 1 46 ALA H 1 65 LYS QD . . 5.200 5.843 4.321 6.378 1.178 19 14 "[ * *** ** **** -*+*]" 1
573 1 46 ALA H 1 66 ALA MB . . 5.470 4.380 4.035 4.750 . 0 0 "[ . 1 . 2]" 1
574 1 46 ALA HA 1 47 VAL H . . 2.570 2.187 2.143 2.239 . 0 0 "[ . 1 . 2]" 1
575 1 46 ALA MB 1 47 VAL H . . 3.440 2.930 2.638 3.182 . 0 0 "[ . 1 . 2]" 1
576 1 46 ALA MB 1 47 VAL HA . . 4.510 4.000 3.910 4.099 . 0 0 "[ . 1 . 2]" 1
577 1 46 ALA MB 1 66 ALA H . . 4.400 4.941 3.731 5.303 0.903 10 13 "[ * **- *+ *** ****]" 1
578 1 46 ALA MB 1 66 ALA HA . . 5.500 5.541 4.731 5.802 0.302 17 0 "[ . 1 . 2]" 1
579 1 46 ALA MB 1 66 ALA MB . . 2.870 2.897 2.255 3.069 0.199 17 0 "[ . 1 . 2]" 1
580 1 47 VAL H 1 47 VAL HB . . 4.200 3.855 3.783 3.891 . 0 0 "[ . 1 . 2]" 1
581 1 47 VAL H 1 47 VAL QG . . 2.820 2.217 2.126 2.290 . 0 0 "[ . 1 . 2]" 1
582 1 47 VAL H 1 48 THR H . . 4.400 4.399 4.343 4.436 0.036 14 0 "[ . 1 . 2]" 1
583 1 47 VAL H 1 65 LYS QD . . 5.500 5.913 5.006 6.281 0.781 12 12 "[ * **** -* +**. * *2]" 1
584 1 47 VAL H 1 66 ALA H . . 4.820 5.215 4.254 5.903 1.083 19 7 "[ * *.* 1 * - +*]" 1
585 1 47 VAL H 1 66 ALA MB . . 4.440 3.824 3.190 4.568 0.128 19 0 "[ . 1 . 2]" 1
586 1 47 VAL HA 1 47 VAL QG . . 3.040 2.260 2.185 2.286 . 0 0 "[ . 1 . 2]" 1
587 1 47 VAL HA 1 48 THR H . . 2.820 2.348 2.203 2.485 . 0 0 "[ . 1 . 2]" 1
588 1 47 VAL HA 1 63 VAL QG . . 4.690 4.565 3.779 5.376 0.686 18 1 "[ . 1 . + 2]" 1
589 1 47 VAL HA 1 64 GLN H . . 5.040 5.556 5.128 6.041 1.001 9 10 "[-** * +1 *** * *]" 1
590 1 47 VAL HA 1 64 GLN QB . . 5.500 5.611 5.240 6.120 0.620 14 1 "[ . 1 +. 2]" 1
591 1 47 VAL HA 1 65 LYS H . . 5.230 5.833 5.066 6.199 0.969 9 13 "[ * ** - +* *** ****]" 1
592 1 47 VAL HA 1 65 LYS HA . . 3.290 3.502 2.642 3.868 0.578 2 2 "[ + . -1 . 2]" 1
593 1 47 VAL HA 1 65 LYS QB . . 5.500 5.423 4.726 5.700 0.200 2 0 "[ . 1 . 2]" 1
594 1 47 VAL HA 1 65 LYS QD . . 4.750 3.797 2.830 4.306 . 0 0 "[ . 1 . 2]" 1
595 1 47 VAL HA 1 66 ALA H . . 2.960 2.502 1.941 3.345 0.385 6 0 "[ . 1 . 2]" 1
596 1 47 VAL HA 1 66 ALA HA . . 4.780 4.357 3.832 5.184 0.404 19 0 "[ . 1 . 2]" 1
597 1 47 VAL HA 1 66 ALA MB . . 3.420 2.296 1.999 2.954 . 0 0 "[ . 1 . 2]" 1
598 1 47 VAL HB 1 48 THR H . . 2.970 2.489 2.135 2.817 . 0 0 "[ . 1 . 2]" 1
599 1 47 VAL HB 1 63 VAL QG . . 3.620 2.646 1.923 3.449 . 0 0 "[ . 1 . 2]" 1
600 1 47 VAL HB 1 64 GLN H . . 3.990 3.980 3.121 4.669 0.679 9 1 "[ . +1 . 2]" 1
601 1 47 VAL HB 1 65 LYS H . . 4.460 5.469 4.877 5.951 1.491 15 18 "[******* ***-**+* ***]" 1
602 1 47 VAL HB 1 65 LYS HA . . 4.150 3.623 3.130 4.029 . 0 0 "[ . 1 . 2]" 1
603 1 47 VAL HB 1 66 ALA MB . . 4.920 4.294 3.940 4.945 0.025 19 0 "[ . 1 . 2]" 1
604 1 47 VAL QG 1 48 THR H . . 3.650 3.187 3.025 3.344 . 0 0 "[ . 1 . 2]" 1
605 1 47 VAL QG 1 49 PHE H . . 5.170 4.643 4.244 5.107 . 0 0 "[ . 1 . 2]" 1
606 1 47 VAL QG 1 65 LYS HA . . 3.160 2.568 2.148 3.041 . 0 0 "[ . 1 . 2]" 1
607 1 47 VAL QG 1 65 LYS QB . . 4.550 4.093 3.667 4.504 . 0 0 "[ . 1 . 2]" 1
608 1 47 VAL QG 1 65 LYS QG . . 4.540 3.932 3.599 4.496 . 0 0 "[ . 1 . 2]" 1
609 1 47 VAL QG 1 66 ALA H . . 3.310 2.710 1.984 3.329 0.019 6 0 "[ . 1 . 2]" 1
610 1 47 VAL QG 1 66 ALA MB . . 4.680 3.402 3.050 3.757 . 0 0 "[ . 1 . 2]" 1
611 1 48 THR H 1 48 THR HB . . 3.920 2.672 2.509 2.774 . 0 0 "[ . 1 . 2]" 1
612 1 48 THR H 1 48 THR HG1 . . 3.460 2.873 2.302 3.895 0.435 13 0 "[ . 1 . 2]" 1
613 1 48 THR H 1 49 PHE H . . 5.030 4.482 4.357 4.595 . 0 0 "[ . 1 . 2]" 1
614 1 48 THR H 1 63 VAL HA . . 4.890 5.135 4.778 6.013 1.123 8 3 "[ . + 1 * . - 2]" 1
615 1 48 THR H 1 63 VAL QG . . 3.620 3.925 3.284 4.957 1.337 8 5 "[ . + - * . ** 2]" 1
616 1 48 THR H 1 64 GLN HA . . 4.750 5.042 4.832 5.292 0.542 14 1 "[ . 1 +. 2]" 1
617 1 48 THR H 1 64 GLN QB . . 4.700 3.616 3.165 4.136 . 0 0 "[ . 1 . 2]" 1
618 1 48 THR H 1 65 LYS HA . . 3.870 3.736 3.366 4.137 0.267 17 0 "[ . 1 . 2]" 1
619 1 48 THR H 1 66 ALA H . . 3.830 3.605 2.904 4.471 0.641 6 2 "[ .+ 1 . -2]" 1
620 1 48 THR H 1 66 ALA MB . . 3.910 3.020 2.476 3.639 . 0 0 "[ . 1 . 2]" 1
621 1 48 THR HA 1 48 THR HG1 . . 3.340 3.175 2.425 3.729 0.389 6 0 "[ . 1 . 2]" 1
622 1 48 THR HA 1 49 PHE H . . 2.950 2.262 2.167 2.389 . 0 0 "[ . 1 . 2]" 1
623 1 48 THR HA 1 63 VAL QG . . 5.280 5.124 4.345 6.096 0.816 8 1 "[ . + 1 . 2]" 1
624 1 48 THR HA 1 64 GLN H . . 5.300 4.862 4.569 5.210 . 0 0 "[ . 1 . 2]" 1
625 1 48 THR HA 1 64 GLN QB . . 5.500 4.650 4.325 5.272 . 0 0 "[ . 1 . 2]" 1
626 1 48 THR HB 1 49 PHE H . . 3.800 3.901 3.630 4.011 0.211 8 0 "[ . 1 . 2]" 1
627 1 48 THR HB 1 49 PHE QB . . 5.370 5.327 5.036 5.705 0.335 13 0 "[ . 1 . 2]" 1
628 1 48 THR HB 1 64 GLN H . . 4.430 3.602 3.025 4.390 . 0 0 "[ . 1 . 2]" 1
629 1 48 THR HB 1 64 GLN QB . . 4.100 2.124 1.723 2.991 . 0 0 "[ . 1 . 2]" 1
630 1 48 THR HB 1 66 ALA MB . . 4.880 4.123 3.450 4.840 . 0 0 "[ . 1 . 2]" 1
631 1 48 THR HG1 1 49 PHE H . . 4.650 4.989 4.467 5.342 0.692 2 9 "[ + *- * * * ** * 2]" 1
632 1 48 THR HG1 1 64 GLN H . . 4.450 5.459 4.853 6.029 1.579 1 17 [+**-.*********.****2] 1
633 1 48 THR HG1 1 64 GLN QB . . 3.930 4.057 3.109 5.347 1.417 7 5 "[* * . + 1* -. 2]" 1
634 1 48 THR HG1 1 66 ALA H . . 4.250 4.708 3.928 5.932 1.682 19 9 "[ * .*- 1 ** .***+2]" 1
635 1 48 THR HG1 1 66 ALA HA . . 4.310 3.856 2.489 5.212 0.902 19 2 "[ . 1 .- +2]" 1
636 1 48 THR HG1 1 66 ALA MB . . 2.840 2.628 1.790 3.656 0.816 12 4 "[ .* 1 + . - *2]" 1
637 1 49 PHE H 1 50 ASP H . . 4.180 4.367 4.276 4.427 0.247 20 0 "[ . 1 . 2]" 1
638 1 49 PHE H 1 63 VAL QG . . 5.500 4.993 4.220 5.953 0.453 8 0 "[ . 1 . 2]" 1
639 1 49 PHE H 1 64 GLN H . . 5.400 4.675 4.299 5.082 . 0 0 "[ . 1 . 2]" 1
640 1 49 PHE HA 1 50 ASP H . . 2.940 2.356 2.213 2.608 . 0 0 "[ . 1 . 2]" 1
641 1 49 PHE HA 1 60 ALA MB . . 4.640 4.978 4.093 6.047 1.407 8 7 "[* . *+-1 * *. *2]" 1
642 1 49 PHE HA 1 62 ASN QD . . 4.780 5.395 3.142 5.851 1.071 8 17 "[-******+** ** **** *]" 1
643 1 49 PHE HA 1 63 VAL HA . . 3.730 2.707 2.273 3.227 . 0 0 "[ . 1 . 2]" 1
644 1 49 PHE HA 1 63 VAL QG . . 3.840 3.701 3.333 4.180 0.340 8 0 "[ . 1 . 2]" 1
645 1 49 PHE HA 1 64 GLN H . . 4.290 3.035 2.526 3.446 . 0 0 "[ . 1 . 2]" 1
646 1 49 PHE QB 1 50 ASP H . . 3.750 2.674 1.970 3.622 . 0 0 "[ . 1 . 2]" 1
647 1 49 PHE QB 1 60 ALA MB . . 3.960 2.938 1.896 5.059 1.099 8 2 "[ . + 1 - . 2]" 1
648 1 49 PHE QB 1 61 ALA H . . 4.330 3.867 2.984 5.452 1.122 8 3 "[ . + 1 * . - 2]" 1
649 1 49 PHE QB 1 63 VAL HA . . 4.400 3.075 1.772 4.553 0.153 10 0 "[ . 1 . 2]" 1
650 1 49 PHE QB 1 63 VAL QG . . 4.440 2.954 1.799 4.461 0.021 10 0 "[ . 1 . 2]" 1
651 1 49 PHE QB 1 64 GLN H . . 5.080 3.926 2.395 5.072 . 0 0 "[ . 1 . 2]" 1
652 1 50 ASP H 1 50 ASP QB . . 3.020 2.425 2.311 2.936 . 0 0 "[ . 1 . 2]" 1
653 1 50 ASP H 1 51 VAL H . . 4.300 4.453 4.234 4.622 0.322 13 0 "[ . 1 . 2]" 1
654 1 50 ASP H 1 51 VAL HA . . 5.240 4.969 4.738 5.192 . 0 0 "[ . 1 . 2]" 1
655 1 50 ASP H 1 60 ALA MB . . 4.410 4.576 3.882 5.233 0.823 8 6 "[ . *+*1 *-*. 2]" 1
656 1 50 ASP H 1 61 ALA H . . 3.490 3.657 3.356 3.969 0.479 7 0 "[ . 1 . 2]" 1
657 1 50 ASP H 1 61 ALA HA . . 4.720 5.109 4.807 5.445 0.725 14 4 "[- . * 1 * +. 2]" 1
658 1 50 ASP H 1 61 ALA MB . . 3.820 4.307 3.351 4.752 0.932 17 11 "[* * .* * * -**+* *]" 1
659 1 50 ASP H 1 62 ASN QB . . 4.580 3.004 2.459 4.865 0.285 19 0 "[ . 1 . 2]" 1
660 1 50 ASP H 1 62 ASN QD . . 3.780 3.701 1.980 4.434 0.654 3 1 "[ + . 1 . 2]" 1
661 1 50 ASP H 1 63 VAL HA . . 4.580 4.053 3.791 4.409 . 0 0 "[ . 1 . 2]" 1
662 1 50 ASP H 1 63 VAL QG . . 4.750 4.431 3.871 5.033 0.283 13 0 "[ . 1 . 2]" 1
663 1 50 ASP HA 1 51 VAL H . . 2.810 2.272 2.133 2.482 . 0 0 "[ . 1 . 2]" 1
664 1 50 ASP HA 1 51 VAL HA . . 4.540 4.360 4.298 4.472 . 0 0 "[ . 1 . 2]" 1
665 1 50 ASP HA 1 51 VAL HB . . 4.520 4.436 4.017 4.707 0.187 4 0 "[ . 1 . 2]" 1
666 1 50 ASP HA 1 51 VAL QG . . 4.550 3.664 3.495 3.897 . 0 0 "[ . 1 . 2]" 1
667 1 50 ASP HA 1 61 ALA MB . . 5.070 5.275 4.132 5.812 0.742 15 4 "[ . 1 +-* *]" 1
668 1 50 ASP QB 1 51 VAL H . . 4.390 3.544 2.445 3.937 . 0 0 "[ . 1 . 2]" 1
669 1 50 ASP QB 1 61 ALA H . . 3.920 3.806 3.286 5.120 1.200 14 2 "[ . - 1 +. 2]" 1
670 1 50 ASP QB 1 61 ALA MB . . 3.210 3.172 1.785 4.537 1.327 14 2 "[ . 1 +- 2]" 1
671 1 50 ASP QB 1 62 ASN QB . . 4.280 2.600 1.934 4.321 0.041 11 0 "[ . 1 . 2]" 1
672 1 50 ASP QB 1 62 ASN QD . . 4.320 2.151 1.574 3.088 . 0 0 "[ . 1 . 2]" 1
673 1 51 VAL H 1 51 VAL HB . . 2.980 2.891 2.464 3.318 0.338 8 0 "[ . 1 . 2]" 1
674 1 51 VAL H 1 51 VAL QG . . 3.430 2.137 1.895 2.887 . 0 0 "[ . 1 . 2]" 1
675 1 51 VAL H 1 52 GLU H . . 4.870 4.412 4.186 4.572 . 0 0 "[ . 1 . 2]" 1
676 1 51 VAL H 1 61 ALA H . . 4.810 4.769 4.451 5.000 0.190 9 0 "[ . 1 . 2]" 1
677 1 51 VAL H 1 61 ALA MB . . 5.500 5.131 4.002 6.126 0.626 17 1 "[ . 1 . + 2]" 1
678 1 51 VAL HA 1 52 GLU H . . 2.890 2.142 2.098 2.211 . 0 0 "[ . 1 . 2]" 1
679 1 51 VAL HA 1 61 ALA H . . 3.890 3.094 2.541 3.598 . 0 0 "[ . 1 . 2]" 1
680 1 51 VAL HB 1 61 ALA H . . 5.500 5.174 4.451 6.112 0.612 5 1 "[ + 1 . 2]" 1
681 1 51 VAL QG 1 52 GLU H . . 3.500 2.569 2.185 2.926 . 0 0 "[ . 1 . 2]" 1
682 1 51 VAL QG 1 53 GLU H . . 4.600 3.848 3.118 4.412 . 0 0 "[ . 1 . 2]" 1
683 1 51 VAL QG 1 53 GLU HA . . 5.030 3.877 3.370 4.498 . 0 0 "[ . 1 . 2]" 1
684 1 51 VAL QG 1 53 GLU QG . . 4.140 3.245 2.005 4.194 0.054 8 0 "[ . 1 . 2]" 1
685 1 51 VAL QG 1 59 GLN H . . 4.790 3.479 2.848 3.908 . 0 0 "[ . 1 . 2]" 1
686 1 51 VAL QG 1 60 ALA H . . 4.560 4.672 3.398 5.735 1.175 2 7 "[ + . *1*-* . **]" 1
687 1 51 VAL QG 1 61 ALA H . . 5.200 4.414 3.601 4.862 . 0 0 "[ . 1 . 2]" 1
688 1 52 GLU H 1 52 GLU HB2 . . 3.940 2.810 2.289 3.882 . 0 0 "[ . 1 . 2]" 1
689 1 52 GLU H 1 52 GLU QB . . 3.250 2.608 2.260 3.175 . 0 0 "[ . 1 . 2]" 1
690 1 52 GLU H 1 52 GLU HB3 . . 3.940 3.537 2.447 3.840 . 0 0 "[ . 1 . 2]" 1
691 1 52 GLU H 1 52 GLU QG . . 3.730 2.922 2.079 4.059 0.329 2 0 "[ . 1 . 2]" 1
692 1 52 GLU H 1 53 GLU H . . 4.180 4.330 4.052 4.501 0.321 9 0 "[ . 1 . 2]" 1
693 1 52 GLU HA 1 53 GLU H . . 2.670 2.207 2.107 2.354 . 0 0 "[ . 1 . 2]" 1
694 1 52 GLU HA 1 53 GLU QG . . 4.500 3.837 3.532 4.208 . 0 0 "[ . 1 . 2]" 1
695 1 52 GLU QB 1 53 GLU H . . 3.800 3.157 2.623 3.889 0.089 5 0 "[ . 1 . 2]" 1
696 1 52 GLU QB 1 61 ALA MB . . 5.340 3.459 1.932 5.084 . 0 0 "[ . 1 . 2]" 1
697 1 52 GLU QG 1 61 ALA MB . . 3.570 2.781 1.860 4.380 0.810 17 1 "[ . 1 . + 2]" 1
698 1 53 GLU H 1 53 GLU HB2 . . 2.910 2.477 2.381 2.566 . 0 0 "[ . 1 . 2]" 1
699 1 53 GLU H 1 53 GLU HB3 . . 3.670 3.623 3.584 3.690 0.020 6 0 "[ . 1 . 2]" 1
700 1 53 GLU H 1 53 GLU QG . . 3.730 2.432 2.038 3.075 . 0 0 "[ . 1 . 2]" 1
701 1 53 GLU H 1 54 GLY H . . 4.680 4.435 4.165 4.619 . 0 0 "[ . 1 . 2]" 1
702 1 53 GLU HA 1 53 GLU QG . . 3.570 2.439 2.298 2.941 . 0 0 "[ . 1 . 2]" 1
703 1 53 GLU HA 1 54 GLY H . . 2.970 2.145 2.110 2.265 . 0 0 "[ . 1 . 2]" 1
704 1 53 GLU HA 1 58 PRO HA . . 3.390 2.417 1.707 3.624 0.234 11 0 "[ . 1 . 2]" 1
705 1 53 GLU HA 1 58 PRO QD . . 4.750 4.946 4.166 5.888 1.138 11 6 "[ * * *1+ . *-]" 1
706 1 53 GLU HA 1 59 GLN H . . 4.280 3.321 2.366 4.415 0.135 11 0 "[ . 1 . 2]" 1
707 1 53 GLU HB2 1 54 GLY H . . 4.450 4.261 3.858 4.415 . 0 0 "[ . 1 . 2]" 1
708 1 53 GLU HB3 1 54 GLY H . . 4.020 3.416 2.783 3.691 . 0 0 "[ . 1 . 2]" 1
709 1 53 GLU HB3 1 58 PRO HA . . 4.960 4.404 3.195 5.559 0.599 11 1 "[ . 1+ . 2]" 1
710 1 53 GLU QG 1 54 GLY H . . 4.900 4.201 4.007 4.684 . 0 0 "[ . 1 . 2]" 1
711 1 54 GLY H 1 58 PRO HA . . 3.100 2.896 2.052 4.115 1.015 6 2 "[ .+ 1 . -]" 1
712 1 54 GLY H 1 59 GLN H . . 5.070 3.457 2.788 4.671 . 0 0 "[ . 1 . 2]" 1
713 1 54 GLY QA 1 55 GLN H . . 3.260 2.194 2.109 2.299 . 0 0 "[ . 1 . 2]" 1
714 1 55 GLN H 1 55 GLN HB2 . . 3.750 2.815 2.373 3.608 . 0 0 "[ . 1 . 2]" 1
715 1 55 GLN H 1 55 GLN QB . . 2.980 2.498 2.342 2.729 . 0 0 "[ . 1 . 2]" 1
716 1 55 GLN H 1 55 GLN HB3 . . 3.750 3.329 2.603 3.660 . 0 0 "[ . 1 . 2]" 1
717 1 55 GLN H 1 55 GLN HG2 . . 3.960 2.849 1.799 3.891 . 0 0 "[ . 1 . 2]" 1
718 1 55 GLN H 1 55 GLN QG . . 3.300 2.249 1.789 3.320 0.020 19 0 "[ . 1 . 2]" 1
719 1 55 GLN H 1 55 GLN HG3 . . 3.960 2.916 2.135 3.626 . 0 0 "[ . 1 . 2]" 1
720 1 55 GLN H 1 56 ARG H . . 3.790 2.934 2.332 4.354 0.564 12 1 "[ . 1 + . 2]" 1
721 1 55 GLN HA 1 55 GLN HG2 . . 4.080 3.150 2.432 3.738 . 0 0 "[ . 1 . 2]" 1
722 1 55 GLN HA 1 55 GLN QG . . 3.530 2.788 2.365 3.345 . 0 0 "[ . 1 . 2]" 1
723 1 55 GLN HA 1 55 GLN HG3 . . 4.080 3.310 2.462 3.880 . 0 0 "[ . 1 . 2]" 1
724 1 56 ARG H 1 56 ARG HG2 . . 4.940 3.578 2.679 4.902 . 0 0 "[ . 1 . 2]" 1
725 1 56 ARG H 1 56 ARG QG . . 4.240 3.040 2.238 4.225 . 0 0 "[ . 1 . 2]" 1
726 1 56 ARG H 1 56 ARG HG3 . . 4.940 3.617 2.252 4.804 . 0 0 "[ . 1 . 2]" 1
727 1 56 ARG H 1 57 GLY H . . 4.320 2.359 1.761 4.280 . 0 0 "[ . 1 . 2]" 1
728 1 57 GLY H 1 58 PRO QD . . 4.500 4.221 3.028 4.391 . 0 0 "[ . 1 . 2]" 1
729 1 58 PRO HB2 1 59 GLN H . . 4.000 3.734 3.188 4.144 0.144 15 0 "[ . 1 . 2]" 1
730 1 58 PRO HB3 1 59 GLN H . . 3.990 3.921 3.470 4.193 0.203 13 0 "[ . 1 . 2]" 1
731 1 59 GLN H 1 59 GLN HB2 . . 4.010 3.439 2.421 3.795 . 0 0 "[ . 1 . 2]" 1
732 1 59 GLN H 1 59 GLN HB3 . . 4.010 3.236 2.903 3.733 . 0 0 "[ . 1 . 2]" 1
733 1 59 GLN H 1 59 GLN QG . . 3.500 2.266 1.969 2.785 . 0 0 "[ . 1 . 2]" 1
734 1 59 GLN H 1 60 ALA H . . 4.510 4.470 4.413 4.515 0.005 5 0 "[ . 1 . 2]" 1
735 1 59 GLN HA 1 59 GLN QG . . 3.780 3.120 2.400 3.357 . 0 0 "[ . 1 . 2]" 1
736 1 59 GLN HA 1 60 ALA H . . 2.890 2.253 2.159 2.405 . 0 0 "[ . 1 . 2]" 1
737 1 59 GLN QB 1 59 GLN QE . . 3.960 3.157 2.633 3.482 . 0 0 "[ . 1 . 2]" 1
738 1 59 GLN QB 1 60 ALA H . . 3.340 2.760 2.397 3.066 . 0 0 "[ . 1 . 2]" 1
739 1 59 GLN QG 1 60 ALA H . . 4.140 3.884 3.362 4.256 0.116 18 0 "[ . 1 . 2]" 1
740 1 60 ALA H 1 60 ALA MB . . 2.920 2.312 2.227 2.486 . 0 0 "[ . 1 . 2]" 1
741 1 60 ALA H 1 61 ALA H . . 4.670 4.456 4.356 4.614 . 0 0 "[ . 1 . 2]" 1
742 1 60 ALA HA 1 61 ALA H . . 2.750 2.150 2.106 2.246 . 0 0 "[ . 1 . 2]" 1
743 1 60 ALA HA 1 61 ALA MB . . 4.780 3.985 3.898 4.057 . 0 0 "[ . 1 . 2]" 1
744 1 60 ALA MB 1 61 ALA H . . 3.210 3.051 2.728 3.286 0.076 7 0 "[ . 1 . 2]" 1
745 1 60 ALA MB 1 61 ALA MB . . 4.570 4.402 4.244 4.510 . 0 0 "[ . 1 . 2]" 1
746 1 60 ALA MB 1 62 ASN H . . 5.140 5.410 4.531 5.802 0.662 13 4 "[ . - + * *2]" 1
747 1 60 ALA MB 1 63 VAL HA . . 5.500 5.058 4.354 5.951 0.451 8 0 "[ . 1 . 2]" 1
748 1 61 ALA H 1 61 ALA MB . . 3.060 2.519 2.318 2.712 . 0 0 "[ . 1 . 2]" 1
749 1 61 ALA H 1 62 ASN H . . 4.340 4.390 4.106 4.468 0.128 13 0 "[ . 1 . 2]" 1
750 1 61 ALA H 1 62 ASN QB . . 5.340 4.849 4.374 6.206 0.866 19 2 "[ . 1- . +2]" 1
751 1 61 ALA H 1 62 ASN QD . . 4.670 4.412 3.631 5.655 0.985 3 3 "[- + . 1 *. 2]" 1
752 1 61 ALA H 1 63 VAL QG . . 4.880 4.774 3.911 5.924 1.044 6 4 "[ .+ * * . -]" 1
753 1 61 ALA HA 1 62 ASN H . . 2.810 2.346 2.151 2.693 . 0 0 "[ . 1 . 2]" 1
754 1 61 ALA HA 1 62 ASN HA . . 4.590 4.442 4.220 4.611 0.021 15 0 "[ . 1 . 2]" 1
755 1 61 ALA HA 1 63 VAL QG . . 4.850 4.105 3.472 5.214 0.364 6 0 "[ . 1 . 2]" 1
756 1 61 ALA MB 1 62 ASN H . . 3.330 2.597 1.979 3.295 . 0 0 "[ . 1 . 2]" 1
757 1 61 ALA MB 1 62 ASN HA . . 4.730 4.325 3.979 4.750 0.020 12 0 "[ . 1 . 2]" 1
758 1 61 ALA MB 1 62 ASN HB2 . . 5.010 4.053 3.765 5.066 0.056 11 0 "[ . 1 . 2]" 1
759 1 61 ALA MB 1 62 ASN QB . . 4.140 3.775 3.170 4.021 . 0 0 "[ . 1 . 2]" 1
760 1 61 ALA MB 1 62 ASN HB3 . . 5.010 4.782 3.341 5.126 0.116 3 0 "[ . 1 . 2]" 1
761 1 61 ALA MB 1 62 ASN QD . . 4.030 2.704 2.198 4.602 0.572 14 1 "[ . 1 +. 2]" 1
762 1 62 ASN H 1 62 ASN HA . . 2.680 2.292 2.260 2.601 . 0 0 "[ . 1 . 2]" 1
763 1 62 ASN H 1 62 ASN HB2 . . 4.010 3.637 3.206 3.892 . 0 0 "[ . 1 . 2]" 1
764 1 62 ASN H 1 62 ASN HB3 . . 4.010 3.864 2.432 4.086 0.076 17 0 "[ . 1 . 2]" 1
765 1 62 ASN H 1 62 ASN QD . . 4.880 3.470 2.079 4.885 0.005 14 0 "[ . 1 . 2]" 1
766 1 62 ASN H 1 63 VAL H . . 4.090 3.461 3.225 4.481 0.391 19 0 "[ . 1 . 2]" 1
767 1 62 ASN H 1 63 VAL QG . . 4.080 3.894 3.536 4.850 0.770 19 1 "[ . 1 . +2]" 1
768 1 62 ASN HA 1 63 VAL H . . 2.950 2.229 2.063 2.338 . 0 0 "[ . 1 . 2]" 1
769 1 62 ASN QD 1 63 VAL HA . . 5.500 6.004 3.939 6.434 0.934 17 17 "[***-****** ** **+* *]" 1
770 1 63 VAL H 1 63 VAL HB . . 3.660 2.582 2.449 3.049 . 0 0 "[ . 1 . 2]" 1
771 1 63 VAL H 1 63 VAL QG . . 2.910 2.325 2.047 2.540 . 0 0 "[ . 1 . 2]" 1
772 1 63 VAL H 1 64 GLN H . . 4.500 4.395 4.167 4.545 0.045 16 0 "[ . 1 . 2]" 1
773 1 63 VAL HA 1 63 VAL QG . . 3.100 2.150 2.120 2.335 . 0 0 "[ . 1 . 2]" 1
774 1 63 VAL HA 1 64 GLN H . . 2.750 2.139 2.042 2.183 . 0 0 "[ . 1 . 2]" 1
775 1 63 VAL QG 1 64 GLN H . . 3.000 2.742 2.407 3.110 0.110 12 0 "[ . 1 . 2]" 1
776 1 63 VAL QG 1 64 GLN HA . . 4.600 3.610 3.208 3.913 . 0 0 "[ . 1 . 2]" 1
777 1 63 VAL QG 1 64 GLN QB . . 4.920 4.140 3.899 4.398 . 0 0 "[ . 1 . 2]" 1
778 1 63 VAL QG 1 65 LYS H . . 3.790 4.199 3.644 4.744 0.954 11 8 "[*** **- 1+* . 2]" 1
779 1 64 GLN H 1 64 GLN QB . . 3.320 2.420 2.180 2.592 . 0 0 "[ . 1 . 2]" 1
780 1 64 GLN H 1 65 LYS H . . 4.130 4.418 4.231 4.568 0.438 6 0 "[ . 1 . 2]" 1
781 1 64 GLN H 1 65 LYS HA . . 4.870 4.937 4.534 5.281 0.411 6 0 "[ . 1 . 2]" 1
782 1 64 GLN HA 1 65 LYS H . . 2.580 2.224 2.163 2.365 . 0 0 "[ . 1 . 2]" 1
783 1 64 GLN HA 1 66 ALA H . . 5.500 6.033 5.770 6.305 0.805 6 12 "[**-**+ 1*** ** *2]" 1
784 1 64 GLN QB 1 66 ALA H . . 5.500 5.684 5.301 6.096 0.596 6 2 "[ .+ 1 . -2]" 1
785 1 65 LYS H 1 65 LYS QB . . 3.080 2.242 2.126 2.297 . 0 0 "[ . 1 . 2]" 1
786 1 65 LYS H 1 65 LYS QE . . 5.470 5.743 3.658 5.959 0.489 1 0 "[ . 1 . 2]" 1
787 1 65 LYS H 1 66 ALA H . . 4.560 4.539 4.441 4.603 0.043 4 0 "[ . 1 . 2]" 1
788 1 65 LYS HA 1 65 LYS QD . . 3.380 1.974 1.832 2.117 . 0 0 "[ . 1 . 2]" 1
789 1 65 LYS HA 1 65 LYS QG . . 3.720 2.884 2.642 3.040 . 0 0 "[ . 1 . 2]" 1
790 1 65 LYS HA 1 66 ALA H . . 2.500 2.168 2.100 2.275 . 0 0 "[ . 1 . 2]" 1
791 1 65 LYS QB 1 65 LYS QD . . 2.910 2.357 2.225 2.785 . 0 0 "[ . 1 . 2]" 1
792 1 65 LYS QB 1 65 LYS QE . . 4.290 3.674 1.981 3.861 . 0 0 "[ . 1 . 2]" 1
793 1 65 LYS QB 1 66 ALA H . . 4.220 3.650 3.172 3.817 . 0 0 "[ . 1 . 2]" 1
794 1 65 LYS QD 1 66 ALA H . . 4.210 2.406 1.866 3.146 . 0 0 "[ . 1 . 2]" 1
795 1 65 LYS QE 1 65 LYS QG . . 3.460 2.380 2.270 2.846 . 0 0 "[ . 1 . 2]" 1
796 1 65 LYS QG 1 66 ALA H . . 3.950 2.927 2.355 3.386 . 0 0 "[ . 1 . 2]" 1
797 1 66 ALA H 1 66 ALA MB . . 2.810 2.356 2.261 2.523 . 0 0 "[ . 1 . 2]" 1
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