NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573293 |
2m4i   |
19007 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m4i
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 1169
_Distance_constraint_stats_list.Viol_count 2122
_Distance_constraint_stats_list.Viol_total 13560.990
_Distance_constraint_stats_list.Viol_max 2.832
_Distance_constraint_stats_list.Viol_rms 0.1393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0290
_Distance_constraint_stats_list.Viol_average_violations_only 0.3195
_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 6 THR 5.496 1.001 12 5 "[ * *. 1 + .- * 2]"
1 7 LYS 12.474 1.001 12 8 "[ ***. 1 + *.- **2]"
1 8 LYS 36.223 2.435 18 12 "[ ***-** 1 * *** +*2]"
1 9 GLN 14.588 1.392 18 6 "[ *. 1 * *- +*2]"
1 10 GLN 19.761 2.027 19 5 "[ . 1 * .* -+*]"
1 11 TYR 31.976 2.435 18 11 "[ ***- * 1 * *** +*2]"
1 12 VAL 2.134 0.451 4 0 "[ . 1 . 2]"
1 13 THR 3.260 1.327 20 2 "[ . 1 . -+]"
1 14 ILE 3.096 0.524 8 1 "[ . + 1 . 2]"
1 15 LYS 22.039 1.502 20 11 "[ ***** - 1 ** **+]"
1 16 GLY 0.449 0.184 14 0 "[ . 1 . 2]"
1 17 THR 4.966 1.006 16 4 "[ - . 1 *.+ *]"
1 19 ASN 20.378 1.502 20 12 "[ ***-*** 1 * *** +]"
1 20 GLY 4.314 0.588 16 2 "[ - 1 .+ 2]"
1 21 LEU 8.308 0.408 16 0 "[ . 1 . 2]"
1 22 THR 4.767 1.004 18 1 "[ . 1 . + 2]"
1 23 LEU 9.069 0.561 2 1 "[ + . 1 . 2]"
1 24 HIS 20.183 2.824 19 10 "[ * . *- 1 ***** +*]"
1 25 LEU 9.641 2.824 19 6 "[ . ** 1 * .- +*]"
1 26 ASP 8.183 0.677 3 3 "[ + . * 1 -. 2]"
1 27 ASP 14.487 1.763 19 6 "[ * . 1 - *. *+*]"
1 28 ALA 14.601 2.027 19 7 "[ ** - 1 *. *+*]"
1 29 CYS 13.428 1.339 19 6 "[ - * 1 * *+*]"
1 30 SER 6.804 0.950 14 3 "[ . 1 +. -*2]"
1 31 PHE 10.690 1.050 14 8 "[ *.*** 1 +-* * 2]"
1 32 ASP 12.914 1.135 20 7 "[ *.- * 1 * ** +]"
1 33 GLU 10.257 1.176 19 2 "[ . 1 -. +2]"
1 34 LEU 3.379 1.176 19 1 "[ . 1 . +2]"
1 35 LEU 20.459 1.099 15 8 "[ *.* * 1 *-*+ *]"
1 36 ASP 9.237 1.135 20 5 "[ . 1 - *. **+]"
1 37 GLY 2.678 0.390 4 0 "[ . 1 . 2]"
1 38 LEU 6.810 0.694 8 2 "[ .- + 1 . 2]"
1 39 GLN 6.510 0.985 14 4 "[ . 1 **+- 2]"
1 40 ASN 20.012 1.373 19 10 "[ *** 1 ***-* *+2]"
1 41 MET 3.226 0.654 3 2 "[ -+ . 1 . 2]"
1 42 LEU 9.133 1.047 15 6 "[ * . - 1 **+* 2]"
1 43 SER 3.147 0.589 20 1 "[ . 1 . +]"
1 44 ILE 5.467 0.714 4 3 "[ -*+. 1 . 2]"
1 45 GLU 0.757 0.249 13 0 "[ . 1 . 2]"
1 46 GLN 20.096 1.047 15 7 "[ - . 1 **+* **]"
1 47 TYR 21.108 1.840 19 6 "[ * * 1 * .* +-]"
1 48 THR 9.010 1.031 16 5 "[ * 1 -*.+ *2]"
1 49 ASP 22.152 0.965 14 11 "[ * *-*** 1 **+** 2]"
1 50 GLY 9.201 1.335 19 9 "[ **** 1 ** * -+2]"
1 51 LYS 21.342 1.335 19 10 "[ *-** 1 ** * *+*]"
1 52 GLY 3.629 0.320 18 0 "[ . 1 . 2]"
1 53 GLN 26.924 1.031 16 9 "[ ** 1 -**+ ***]"
1 54 LYS 21.386 1.265 18 11 "[ ****- 1 * ** +**]"
1 55 ILE 27.462 1.751 19 5 "[ - * 1 .* +*]"
1 56 SER 10.940 1.065 18 4 "[ *.- 1 * . + 2]"
1 57 VAL 6.976 0.636 4 2 "[ +. 1 . -]"
1 58 HIS 15.810 1.414 18 9 "[ * ** 1 *- ** + *]"
1 59 VAL 26.304 1.782 19 11 "[ * . -* 1 ***** *+*]"
1 60 LYS 20.910 1.163 19 9 "[ * ** 1 -** *+*]"
1 61 LEU 39.103 1.782 19 13 "[ * **-* 1 ***** *+*]"
1 62 GLY 21.602 1.075 14 10 "[ **-* ** 1 *+** 2]"
1 63 ASN 30.894 1.339 19 11 "[ **-*** 1 * * *+*]"
1 64 ARG 16.551 1.045 13 11 "[ ***.*** 1 +*-* * 2]"
1 65 PHE 0.706 0.317 20 0 "[ . 1 . 2]"
1 66 LEU 15.546 1.435 19 8 "[ * * ** 1 * . *+-]"
1 67 TYR 15.279 1.741 19 8 "[ * ** - 1 ** +*]"
1 68 LYS 29.580 2.718 18 11 "[ ***. ** 1 ** * +*-]"
1 69 GLU 22.390 2.718 18 11 "[ ***. ** 1 -* * +**]"
1 70 GLN 15.925 1.741 19 9 "[ * ** - 1 ** *+*]"
1 71 GLU 11.311 1.435 19 5 "[ - * 1 . *+*]"
1 72 GLU 22.483 2.576 18 8 "[ - *. 1 ***. +**]"
1 73 GLN 23.912 2.179 18 7 "[ *. 1 -**. +**]"
1 74 LEU 11.688 1.373 19 8 "[ *** 1 * *- *+2]"
1 75 THR 4.749 1.305 20 1 "[ . 1 . +]"
1 76 GLU 22.511 2.576 18 5 "[ . 1 - *. +**]"
1 77 LEU 4.479 0.676 19 2 "[ . 1 . -+2]"
1 78 ILE 13.391 1.305 20 5 "[ * . * 1 . -*+]"
1 79 ALA 14.972 1.545 18 7 "[ -* 1 **. +**]"
1 80 SER 0.615 0.188 20 0 "[ . 1 . 2]"
1 81 LYS 1.582 0.826 19 1 "[ . 1 . +2]"
1 82 LYS 15.128 1.545 18 7 "[ -* 1 **. +**]"
1 83 ASP 1.832 0.595 20 1 "[ . 1 . +]"
1 84 LEU 15.061 1.840 19 7 "[ -* * 1 *.* +*]"
1 85 PHE 12.546 0.875 20 1 "[ . 1 . +]"
1 86 VAL 14.820 2.832 20 4 "[ .* 1 * *+]"
1 87 HIS 10.486 2.832 20 3 "[ . 1 * *+]"
1 88 SER 5.323 0.663 15 4 "[ * . 1 - +* 2]"
1 89 ILE 15.622 1.414 18 9 "[ * * 1 **-.* +**]"
1 90 ASP 19.702 1.256 19 11 "[ * **** 1 * -* *+*]"
1 91 SER 8.817 0.818 14 7 "[ . ** 1 * +.* -*]"
1 92 GLU 15.181 0.995 18 11 "[ - *** *1 * ** +**]"
1 93 VAL 7.399 0.995 18 4 "[ * *1 . +*2]"
1 96 LYS 0.008 0.008 12 0 "[ . 1 . 2]"
1 97 LYS 13.668 1.428 20 3 "[ . 1 - *+]"
1 98 GLU 10.356 1.442 20 4 "[ * . 1 .- *+]"
1 99 ALA 7.864 1.428 20 4 "[ *. 1 - *+]"
1 100 GLN 14.107 1.724 20 8 "[ *. ** 1 * .- **+]"
1 101 GLN 14.324 1.724 20 9 "[ *. ** 1 ** .- **+]"
1 102 ILE 3.635 0.394 8 0 "[ . 1 . 2]"
1 103 ARG 29.922 1.954 19 11 "[ * *.* * 1 * **- *+*]"
1 104 GLU 5.481 1.017 12 1 "[ . 1 + . 2]"
1 105 GLU 25.415 1.954 19 11 "[ * *.* * 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 6 THR HA 1 6 THR MG . . 2.700 2.168 2.070 2.247 . 0 0 "[ . 1 . 2]" 1
2 1 6 THR HA 1 7 LYS QB . . 4.960 4.582 4.404 4.971 0.011 16 0 "[ . 1 . 2]" 1
3 1 6 THR HB 1 7 LYS H . . 2.340 2.469 2.043 3.341 1.001 12 5 "[ * *. 1 + .- * 2]" 1
4 1 6 THR HB 1 7 LYS QB . . 4.650 4.275 3.383 4.982 0.332 4 0 "[ . 1 . 2]" 1
5 1 6 THR HB 1 7 LYS QG . . 4.070 3.408 2.507 4.562 0.492 16 0 "[ . 1 . 2]" 1
6 1 6 THR MG 1 7 LYS QB . . 4.730 3.931 3.332 4.980 0.250 20 0 "[ . 1 . 2]" 1
7 1 7 LYS H 1 7 LYS QG . . 3.360 2.332 2.001 2.780 . 0 0 "[ . 1 . 2]" 1
8 1 7 LYS HA 1 7 LYS HB2 . . 2.770 2.426 2.322 2.494 . 0 0 "[ . 1 . 2]" 1
9 1 7 LYS HA 1 7 LYS HB3 . . 2.770 2.473 2.394 2.594 . 0 0 "[ . 1 . 2]" 1
10 1 7 LYS HA 1 7 LYS QD . . 5.090 4.258 3.787 4.452 . 0 0 "[ . 1 . 2]" 1
11 1 7 LYS HA 1 7 LYS QG . . 3.640 3.352 3.333 3.427 . 0 0 "[ . 1 . 2]" 1
12 1 7 LYS HA 1 8 LYS H . . 2.610 2.396 2.230 2.570 . 0 0 "[ . 1 . 2]" 1
13 1 7 LYS HA 1 8 LYS QB . . 4.510 4.261 3.917 4.580 0.070 6 0 "[ . 1 . 2]" 1
14 1 7 LYS HA 1 8 LYS QD . . 3.390 3.161 2.455 4.373 0.983 14 2 "[ - . 1 +. 2]" 1
15 1 7 LYS QB 1 7 LYS QE . . 4.060 3.287 2.153 3.745 . 0 0 "[ . 1 . 2]" 1
16 1 7 LYS QB 1 7 LYS QG . . 2.360 2.083 2.032 2.101 . 0 0 "[ . 1 . 2]" 1
17 1 7 LYS QB 1 8 LYS H . . 2.860 2.459 2.159 2.801 . 0 0 "[ . 1 . 2]" 1
18 1 7 LYS QB 1 8 LYS HA . . 4.600 4.358 4.184 4.620 0.020 1 0 "[ . 1 . 2]" 1
19 1 7 LYS QE 1 7 LYS QG . . 2.590 2.183 2.123 2.325 . 0 0 "[ . 1 . 2]" 1
20 1 7 LYS QE 1 8 LYS HA . . 5.150 5.084 3.727 6.018 0.868 19 3 "[ * . 1 .- +2]" 1
21 1 7 LYS QG 1 8 LYS HA . . 3.980 3.742 3.412 4.076 0.096 3 0 "[ . 1 . 2]" 1
22 1 8 LYS H 1 8 LYS QB . . 3.430 3.061 2.370 3.285 . 0 0 "[ . 1 . 2]" 1
23 1 8 LYS H 1 8 LYS QD . . 2.600 2.491 1.870 3.495 0.895 12 5 "[ -*. * 1 + *. 2]" 1
24 1 8 LYS H 1 9 GLN H . . 4.680 4.417 4.351 4.527 . 0 0 "[ . 1 . 2]" 1
25 1 8 LYS H 1 9 GLN HA . . 4.950 4.833 4.603 5.150 0.200 14 0 "[ . 1 . 2]" 1
26 1 8 LYS H 1 11 TYR QD . . 5.090 5.044 3.903 6.595 1.505 18 4 "[ * . 1 *- + 2]" 1
27 1 8 LYS H 1 11 TYR QE . . 5.260 5.614 4.462 7.695 2.435 18 8 "[ .- * 1 * *** +*2]" 1
28 1 8 LYS HA 1 8 LYS HB2 . . 2.780 2.507 2.295 2.988 0.208 5 0 "[ . 1 . 2]" 1
29 1 8 LYS HA 1 8 LYS HB3 . . 2.780 2.436 2.261 2.660 . 0 0 "[ . 1 . 2]" 1
30 1 8 LYS HA 1 8 LYS QD . . 4.450 3.736 3.081 4.075 . 0 0 "[ . 1 . 2]" 1
31 1 8 LYS HA 1 9 GLN H . . 2.740 2.382 2.206 2.523 . 0 0 "[ . 1 . 2]" 1
32 1 8 LYS HA 1 9 GLN QE . . 3.450 3.593 2.896 4.572 1.122 18 4 "[ . 1 *- +*2]" 1
33 1 8 LYS HA 1 10 GLN H . . 5.030 4.575 4.179 5.236 0.206 4 0 "[ . 1 . 2]" 1
34 1 8 LYS QB 1 8 LYS QE . . 3.830 3.027 1.885 3.786 . 0 0 "[ . 1 . 2]" 1
35 1 8 LYS QB 1 8 LYS QG . . 2.250 2.033 2.001 2.061 . 0 0 "[ . 1 . 2]" 1
36 1 8 LYS QB 1 9 GLN H . . 2.760 2.510 2.162 2.931 0.171 14 0 "[ . 1 . 2]" 1
37 1 8 LYS QB 1 9 GLN HA . . 4.970 4.514 4.217 4.780 . 0 0 "[ . 1 . 2]" 1
38 1 8 LYS QB 1 10 GLN H . . 3.970 3.401 2.776 3.957 . 0 0 "[ . 1 . 2]" 1
39 1 8 LYS QB 1 11 TYR QB . . 4.790 3.787 2.507 4.548 . 0 0 "[ . 1 . 2]" 1
40 1 8 LYS QD 1 11 TYR QB . . 4.380 3.571 2.148 5.012 0.632 16 1 "[ . 1 .+ 2]" 1
41 1 8 LYS QE 1 8 LYS QG . . 2.660 2.240 2.032 2.432 . 0 0 "[ . 1 . 2]" 1
42 1 8 LYS QG 1 9 GLN H . . 4.490 3.649 2.618 4.535 0.045 6 0 "[ . 1 . 2]" 1
43 1 8 LYS QG 1 10 GLN H . . 5.010 4.083 2.135 5.099 0.089 6 0 "[ . 1 . 2]" 1
44 1 8 LYS QG 1 11 TYR HA . . 4.510 4.280 3.473 5.224 0.714 3 1 "[ + . 1 . 2]" 1
45 1 8 LYS QG 1 11 TYR QD . . 3.560 2.788 1.867 4.237 0.677 6 2 "[ -+ 1 . 2]" 1
46 1 9 GLN H 1 9 GLN QE . . 3.570 3.472 2.990 3.981 0.411 16 0 "[ . 1 . 2]" 1
47 1 9 GLN H 1 10 GLN H . . 2.680 2.405 2.159 2.969 0.289 4 0 "[ . 1 . 2]" 1
48 1 9 GLN H 1 10 GLN HA . . 5.250 4.944 4.687 5.243 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLN H 1 11 TYR QD . . 4.530 4.648 3.233 5.922 1.392 18 5 "[ -. 1 * .* +*2]" 1
50 1 9 GLN HA 1 9 GLN QE . . 5.050 3.796 2.185 5.083 0.033 18 0 "[ . 1 . 2]" 1
51 1 9 GLN HA 1 10 GLN HA . . 4.910 4.568 4.499 4.669 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLN QB 1 10 GLN H . . 4.000 2.447 1.947 3.635 . 0 0 "[ . 1 . 2]" 1
53 1 9 GLN QE 1 9 GLN QG . . 2.910 2.158 2.112 2.237 . 0 0 "[ . 1 . 2]" 1
54 1 9 GLN QG 1 10 GLN H . . 4.220 3.815 2.162 4.465 0.245 13 0 "[ . 1 . 2]" 1
55 1 10 GLN H 1 10 GLN QG . . 3.010 2.722 2.165 3.630 0.620 19 1 "[ . 1 . +2]" 1
56 1 10 GLN H 1 11 TYR H . . 4.690 4.319 3.912 4.544 . 0 0 "[ . 1 . 2]" 1
57 1 10 GLN H 1 11 TYR QB . . 5.030 4.786 4.230 5.207 0.177 12 0 "[ . 1 . 2]" 1
58 1 10 GLN H 1 11 TYR QD . . 4.340 4.220 3.283 5.374 1.034 19 3 "[ . 1 .* -+2]" 1
59 1 10 GLN HA 1 10 GLN QE . . 4.720 4.481 3.741 4.973 0.253 4 0 "[ . 1 . 2]" 1
60 1 10 GLN HA 1 26 ASP QB . . 3.190 2.773 2.135 3.585 0.395 4 0 "[ . 1 . 2]" 1
61 1 10 GLN QB 1 10 GLN QE . . 3.050 2.520 1.663 2.838 . 0 0 "[ . 1 . 2]" 1
62 1 10 GLN QB 1 27 ASP HA . . 4.650 3.645 2.600 4.434 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLN QE 1 27 ASP HA . . 3.920 3.520 2.123 5.683 1.763 19 3 "[ . 1 - . +*]" 1
64 1 10 GLN QE 1 27 ASP QB . . 4.560 3.622 2.162 5.383 0.823 19 1 "[ . 1 . +2]" 1
65 1 10 GLN QE 1 28 ALA H . . 4.610 4.229 2.773 6.637 2.027 19 3 "[ . 1 . -+*]" 1
66 1 10 GLN QG 1 11 TYR H . . 5.070 4.115 3.364 4.743 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLN QG 1 27 ASP HA . . 4.530 3.508 2.225 5.580 1.050 18 1 "[ . 1 . + 2]" 1
68 1 11 TYR H 1 11 TYR QD . . 3.480 3.477 2.574 4.439 0.959 18 4 "[ . 1 -.* +*2]" 1
69 1 11 TYR H 1 12 VAL H . . 4.650 4.382 4.304 4.570 . 0 0 "[ . 1 . 2]" 1
70 1 11 TYR H 1 26 ASP H . . 3.600 3.318 2.538 3.715 0.115 13 0 "[ . 1 . 2]" 1
71 1 11 TYR HA 1 12 VAL H . . 2.770 2.444 2.172 2.723 . 0 0 "[ . 1 . 2]" 1
72 1 11 TYR HA 1 12 VAL HB . . 4.530 4.388 4.224 4.698 0.168 13 0 "[ . 1 . 2]" 1
73 1 11 TYR HA 1 12 VAL MG1 . . 4.040 3.533 3.221 3.751 . 0 0 "[ . 1 . 2]" 1
74 1 12 VAL H 1 12 VAL HB . . 3.600 3.331 3.131 3.508 . 0 0 "[ . 1 . 2]" 1
75 1 12 VAL H 1 12 VAL MG1 . . 2.840 2.324 2.102 2.540 . 0 0 "[ . 1 . 2]" 1
76 1 12 VAL H 1 13 THR H . . 4.640 4.296 4.119 4.395 . 0 0 "[ . 1 . 2]" 1
77 1 12 VAL H 1 13 THR HA . . 5.130 4.883 4.739 5.029 . 0 0 "[ . 1 . 2]" 1
78 1 12 VAL H 1 13 THR HB . . 5.000 4.699 4.238 5.089 0.089 4 0 "[ . 1 . 2]" 1
79 1 12 VAL HA 1 12 VAL HB . . 2.780 2.436 2.313 2.483 . 0 0 "[ . 1 . 2]" 1
80 1 12 VAL HA 1 13 THR H . . 2.580 2.210 2.166 2.285 . 0 0 "[ . 1 . 2]" 1
81 1 12 VAL HA 1 25 LEU HA . . 2.730 2.508 2.356 2.737 0.007 15 0 "[ . 1 . 2]" 1
82 1 12 VAL HB 1 13 THR H . . 4.290 4.068 3.989 4.139 . 0 0 "[ . 1 . 2]" 1
83 1 12 VAL HB 1 26 ASP H . . 4.010 3.970 3.488 4.461 0.451 4 0 "[ . 1 . 2]" 1
84 1 12 VAL MG1 1 13 THR H . . 5.110 3.875 3.586 4.286 . 0 0 "[ . 1 . 2]" 1
85 1 12 VAL MG2 1 13 THR H . . 4.080 2.386 2.117 2.644 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL MG2 1 14 ILE QG . . 4.210 2.717 2.400 2.999 . 0 0 "[ . 1 . 2]" 1
87 1 12 VAL MG2 1 25 LEU QB . . 5.050 2.755 2.153 4.580 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL MG2 1 25 LEU MD2 . . 4.610 3.312 1.950 3.976 . 0 0 "[ . 1 . 2]" 1
89 1 12 VAL MG2 1 35 LEU HA . . 5.200 4.430 3.828 5.175 . 0 0 "[ . 1 . 2]" 1
90 1 13 THR H 1 13 THR HB . . 3.640 3.315 2.781 3.594 . 0 0 "[ . 1 . 2]" 1
91 1 13 THR H 1 13 THR MG . . 4.460 2.567 2.270 3.814 . 0 0 "[ . 1 . 2]" 1
92 1 13 THR H 1 14 ILE H . . 4.560 4.250 4.091 4.320 . 0 0 "[ . 1 . 2]" 1
93 1 13 THR H 1 14 ILE HA . . 5.000 4.731 4.583 4.864 . 0 0 "[ . 1 . 2]" 1
94 1 13 THR H 1 14 ILE QG . . 4.030 3.596 3.418 3.754 . 0 0 "[ . 1 . 2]" 1
95 1 13 THR H 1 23 LEU HA . . 5.040 4.697 4.470 5.000 . 0 0 "[ . 1 . 2]" 1
96 1 13 THR H 1 24 HIS H . . 3.370 3.018 2.839 3.327 . 0 0 "[ . 1 . 2]" 1
97 1 13 THR H 1 24 HIS QB . . 4.900 3.958 3.057 4.943 0.043 20 0 "[ . 1 . 2]" 1
98 1 13 THR H 1 35 LEU QD . . 4.670 4.044 3.616 5.170 0.500 13 0 "[ . 1 . 2]" 1
99 1 13 THR HA 1 13 THR HB . . 2.790 2.509 2.367 2.996 0.206 19 0 "[ . 1 . 2]" 1
100 1 13 THR HA 1 14 ILE H . . 2.510 2.198 2.137 2.232 . 0 0 "[ . 1 . 2]" 1
101 1 13 THR HA 1 14 ILE HA . . 4.720 4.426 4.395 4.444 . 0 0 "[ . 1 . 2]" 1
102 1 13 THR HA 1 14 ILE HB . . 4.940 4.671 4.551 4.807 . 0 0 "[ . 1 . 2]" 1
103 1 13 THR HB 1 14 ILE H . . 4.410 4.124 4.019 4.324 . 0 0 "[ . 1 . 2]" 1
104 1 13 THR MG 1 24 HIS QB . . 4.210 2.542 1.821 5.537 1.327 20 2 "[ . 1 . -+]" 1
105 1 14 ILE H 1 14 ILE HB . . 3.110 2.837 2.625 2.914 . 0 0 "[ . 1 . 2]" 1
106 1 14 ILE H 1 14 ILE MD . . 4.640 3.966 3.448 4.126 . 0 0 "[ . 1 . 2]" 1
107 1 14 ILE H 1 14 ILE QG . . 3.100 2.768 2.533 3.099 . 0 0 "[ . 1 . 2]" 1
108 1 14 ILE HA 1 14 ILE QG . . 3.200 2.538 2.465 2.617 . 0 0 "[ . 1 . 2]" 1
109 1 14 ILE HA 1 15 LYS H . . 2.460 2.179 2.156 2.204 . 0 0 "[ . 1 . 2]" 1
110 1 14 ILE HA 1 15 LYS HB2 . . 5.220 4.654 4.186 5.744 0.524 8 1 "[ . + 1 . 2]" 1
111 1 14 ILE HA 1 15 LYS QB . . 4.400 4.119 3.953 4.361 . 0 0 "[ . 1 . 2]" 1
112 1 14 ILE HA 1 15 LYS HB3 . . 5.220 4.720 4.381 5.380 0.160 18 0 "[ . 1 . 2]" 1
113 1 14 ILE HA 1 23 LEU H . . 5.060 4.786 4.630 4.983 . 0 0 "[ . 1 . 2]" 1
114 1 14 ILE HA 1 23 LEU QB . . 2.720 2.540 1.963 3.165 0.445 16 0 "[ . 1 . 2]" 1
115 1 14 ILE HB 1 14 ILE MD . . 2.770 2.350 2.208 2.395 . 0 0 "[ . 1 . 2]" 1
116 1 14 ILE HB 1 14 ILE QG . . 2.610 2.418 2.384 2.532 . 0 0 "[ . 1 . 2]" 1
117 1 14 ILE HB 1 15 LYS HA . . 5.050 4.690 4.398 4.903 . 0 0 "[ . 1 . 2]" 1
118 1 14 ILE MD 1 14 ILE MG . . 3.430 2.082 1.877 2.585 . 0 0 "[ . 1 . 2]" 1
119 1 14 ILE MD 1 35 LEU HA . . 4.880 2.772 2.074 3.301 . 0 0 "[ . 1 . 2]" 1
120 1 14 ILE MD 1 38 LEU HB2 . . 4.770 2.509 2.053 3.287 . 0 0 "[ . 1 . 2]" 1
121 1 14 ILE MD 1 38 LEU QB . . 4.050 2.291 2.010 2.927 . 0 0 "[ . 1 . 2]" 1
122 1 14 ILE MD 1 38 LEU HB3 . . 4.770 2.793 2.248 3.352 . 0 0 "[ . 1 . 2]" 1
123 1 14 ILE QG 1 23 LEU HA . . 5.000 3.659 3.158 4.169 . 0 0 "[ . 1 . 2]" 1
124 1 14 ILE QG 1 23 LEU QB . . 4.570 2.341 1.984 2.950 . 0 0 "[ . 1 . 2]" 1
125 1 14 ILE QG 1 24 HIS H . . 4.790 3.719 3.376 3.963 . 0 0 "[ . 1 . 2]" 1
126 1 14 ILE QG 1 35 LEU QD . . 4.010 2.511 2.105 3.522 . 0 0 "[ . 1 . 2]" 1
127 1 14 ILE MG 1 16 GLY QA . . 5.070 3.758 3.218 4.401 . 0 0 "[ . 1 . 2]" 1
128 1 14 ILE MG 1 23 LEU QB . . 4.130 2.125 1.925 2.407 . 0 0 "[ . 1 . 2]" 1
129 1 14 ILE MG 1 38 LEU QB . . 2.680 2.441 2.036 3.077 0.397 2 0 "[ . 1 . 2]" 1
130 1 15 LYS H 1 15 LYS QB . . 2.900 2.496 2.166 3.006 0.106 7 0 "[ . 1 . 2]" 1
131 1 15 LYS H 1 15 LYS QG . . 4.940 3.924 2.540 4.234 . 0 0 "[ . 1 . 2]" 1
132 1 15 LYS H 1 21 LEU HA . . 5.250 4.963 4.616 5.365 0.115 5 0 "[ . 1 . 2]" 1
133 1 15 LYS H 1 22 THR H . . 3.890 3.449 3.222 3.809 . 0 0 "[ . 1 . 2]" 1
134 1 15 LYS H 1 22 THR HA . . 5.170 4.838 4.625 5.004 . 0 0 "[ . 1 . 2]" 1
135 1 15 LYS H 1 22 THR HB . . 4.100 3.619 3.226 4.103 0.003 19 0 "[ . 1 . 2]" 1
136 1 15 LYS H 1 23 LEU QB . . 3.440 3.476 2.682 4.001 0.561 2 1 "[ + . 1 . 2]" 1
137 1 15 LYS H 1 24 HIS H . . 5.210 5.080 4.794 5.364 0.154 7 0 "[ . 1 . 2]" 1
138 1 15 LYS HA 1 15 LYS QB . . 2.640 2.374 2.171 2.538 . 0 0 "[ . 1 . 2]" 1
139 1 15 LYS HA 1 15 LYS QD . . 4.280 3.488 2.295 4.235 . 0 0 "[ . 1 . 2]" 1
140 1 15 LYS HA 1 15 LYS QG . . 3.600 2.549 2.218 3.342 . 0 0 "[ . 1 . 2]" 1
141 1 15 LYS HA 1 17 THR MG . . 5.250 3.973 3.405 4.975 . 0 0 "[ . 1 . 2]" 1
142 1 15 LYS HA 1 22 THR H . . 5.170 4.884 4.635 5.183 0.013 8 0 "[ . 1 . 2]" 1
143 1 15 LYS QB 1 15 LYS QD . . 3.290 2.252 2.029 2.560 . 0 0 "[ . 1 . 2]" 1
144 1 15 LYS QB 1 15 LYS QG . . 2.250 2.052 2.009 2.098 . 0 0 "[ . 1 . 2]" 1
145 1 15 LYS QB 1 22 THR H . . 4.780 3.367 2.594 4.798 0.018 7 0 "[ . 1 . 2]" 1
146 1 15 LYS QB 1 22 THR HB . . 3.710 2.493 2.142 4.202 0.492 8 0 "[ . 1 . 2]" 1
147 1 15 LYS QD 1 15 LYS QE . . 2.340 2.057 2.011 2.100 . 0 0 "[ . 1 . 2]" 1
148 1 15 LYS QD 1 17 THR MG . . 4.620 3.820 2.179 4.880 0.260 19 0 "[ . 1 . 2]" 1
149 1 15 LYS QD 1 19 ASN QB . . 4.120 3.766 2.162 4.716 0.596 5 1 "[ + 1 . 2]" 1
150 1 15 LYS QE 1 15 LYS QG . . 3.310 2.323 2.123 2.708 . 0 0 "[ . 1 . 2]" 1
151 1 15 LYS QE 1 19 ASN QB . . 2.950 3.078 2.286 4.452 1.502 20 5 "[ * .- * 1 * +]" 1
152 1 15 LYS QE 1 54 LYS QB . . 4.780 5.070 3.720 6.045 1.265 18 9 "[ **** 1 ** +-*]" 1
153 1 16 GLY H 1 17 THR H . . 3.570 2.826 2.108 3.754 0.184 14 0 "[ . 1 . 2]" 1
154 1 16 GLY H 1 22 THR H . . 5.200 4.917 4.524 5.296 0.096 5 0 "[ . 1 . 2]" 1
155 1 16 GLY QA 1 21 LEU HA . . 3.620 2.789 2.150 3.451 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLY QA 1 22 THR H . . 4.650 3.469 3.013 4.040 . 0 0 "[ . 1 . 2]" 1
157 1 17 THR H 1 17 THR HB . . 3.770 3.347 2.537 3.727 . 0 0 "[ . 1 . 2]" 1
158 1 17 THR H 1 17 THR MG . . 4.240 2.478 1.931 3.315 . 0 0 "[ . 1 . 2]" 1
159 1 17 THR H 1 19 ASN QB . . 4.520 3.950 3.296 5.526 1.006 16 1 "[ . 1 .+ 2]" 1
160 1 17 THR HA 1 17 THR HB . . 2.660 2.463 2.301 2.730 0.070 4 0 "[ . 1 . 2]" 1
161 1 17 THR HA 1 46 GLN QE . . 3.560 3.340 2.475 4.292 0.732 20 3 "[ - . 1 *. +]" 1
162 1 19 ASN HA 1 19 ASN QB . . 2.640 2.390 2.185 2.548 . 0 0 "[ . 1 . 2]" 1
163 1 19 ASN HA 1 20 GLY H . . 3.320 2.852 2.570 3.109 . 0 0 "[ . 1 . 2]" 1
164 1 19 ASN HA 1 49 ASP H . . 4.420 4.759 4.116 5.356 0.936 12 8 "[ * *-*** 1 + .* 2]" 1
165 1 19 ASN HA 1 49 ASP HA . . 4.110 3.668 2.183 4.801 0.691 15 2 "[ . 1 -+ 2]" 1
166 1 19 ASN HA 1 49 ASP QB . . 2.300 2.187 1.767 2.593 0.293 8 0 "[ . 1 . 2]" 1
167 1 19 ASN HA 1 53 GLN HA . . 3.880 3.527 2.603 4.162 0.282 15 0 "[ . 1 . 2]" 1
168 1 19 ASN HA 1 54 LYS H . . 4.880 4.421 3.549 4.991 0.111 8 0 "[ . 1 . 2]" 1
169 1 19 ASN QB 1 20 GLY H . . 2.430 2.145 1.874 2.519 0.089 14 0 "[ . 1 . 2]" 1
170 1 19 ASN QB 1 49 ASP QB . . 4.580 3.840 3.134 4.370 . 0 0 "[ . 1 . 2]" 1
171 1 19 ASN QB 1 53 GLN HA . . 4.570 4.035 3.237 4.864 0.294 15 0 "[ . 1 . 2]" 1
172 1 19 ASN QB 1 54 LYS H . . 4.420 3.648 2.607 4.264 . 0 0 "[ . 1 . 2]" 1
173 1 20 GLY H 1 20 GLY QA . . 2.470 2.238 2.189 2.301 . 0 0 "[ . 1 . 2]" 1
174 1 20 GLY H 1 21 LEU H . . 3.880 3.219 2.721 3.577 . 0 0 "[ . 1 . 2]" 1
175 1 20 GLY H 1 53 GLN HA . . 3.400 2.806 2.190 3.497 0.097 18 0 "[ . 1 . 2]" 1
176 1 20 GLY H 1 54 LYS H . . 2.740 2.481 2.285 2.822 0.082 8 0 "[ . 1 . 2]" 1
177 1 20 GLY H 1 54 LYS QB . . 4.160 3.879 3.521 4.253 0.093 16 0 "[ . 1 . 2]" 1
178 1 20 GLY H 1 55 ILE QG . . 5.090 4.474 3.949 5.084 . 0 0 "[ . 1 . 2]" 1
179 1 20 GLY QA 1 21 LEU H . . 2.380 2.223 2.094 2.367 . 0 0 "[ . 1 . 2]" 1
180 1 20 GLY QA 1 53 GLN QB . . 3.950 2.153 1.837 2.236 . 0 0 "[ . 1 . 2]" 1
181 1 20 GLY QA 1 54 LYS H . . 3.060 3.074 2.674 3.639 0.579 5 1 "[ + 1 . 2]" 1
182 1 20 GLY QA 1 55 ILE H . . 4.360 4.290 3.882 4.948 0.588 16 1 "[ . 1 .+ 2]" 1
183 1 20 GLY QA 1 55 ILE MD . . 5.060 3.481 3.049 4.070 . 0 0 "[ . 1 . 2]" 1
184 1 20 GLY QA 1 55 ILE QG . . 2.740 2.453 2.113 3.036 0.296 15 0 "[ . 1 . 2]" 1
185 1 21 LEU H 1 21 LEU QB . . 3.080 2.812 2.678 2.923 . 0 0 "[ . 1 . 2]" 1
186 1 21 LEU H 1 21 LEU HG . . 4.720 4.518 4.342 4.681 . 0 0 "[ . 1 . 2]" 1
187 1 21 LEU H 1 22 THR H . . 3.910 3.617 3.285 3.847 . 0 0 "[ . 1 . 2]" 1
188 1 21 LEU H 1 54 LYS H . . 4.250 3.895 3.684 4.366 0.116 5 0 "[ . 1 . 2]" 1
189 1 21 LEU H 1 55 ILE H . . 4.320 4.205 3.969 4.585 0.265 16 0 "[ . 1 . 2]" 1
190 1 21 LEU H 1 55 ILE HA . . 2.360 2.371 2.046 2.728 0.368 16 0 "[ . 1 . 2]" 1
191 1 21 LEU H 1 55 ILE HB . . 4.950 4.925 4.647 5.358 0.408 16 0 "[ . 1 . 2]" 1
192 1 21 LEU H 1 55 ILE QG . . 3.980 2.852 2.473 3.243 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU H 1 55 ILE MG . . 4.500 3.694 3.322 4.081 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU H 1 56 SER H . . 4.110 3.888 3.588 4.327 0.217 3 0 "[ . 1 . 2]" 1
195 1 21 LEU HA 1 21 LEU HG . . 3.470 3.105 2.873 3.247 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU HA 1 22 THR H . . 2.490 2.192 2.152 2.275 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU HA 1 23 LEU QD . . 4.860 4.194 3.808 4.459 . 0 0 "[ . 1 . 2]" 1
198 1 21 LEU HA 1 42 LEU MD1 . . 5.070 3.908 3.321 4.377 . 0 0 "[ . 1 . 2]" 1
199 1 21 LEU QB 1 21 LEU HG . . 2.580 2.391 2.350 2.443 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU QB 1 23 LEU QD . . 4.290 3.623 3.300 4.104 . 0 0 "[ . 1 . 2]" 1
201 1 21 LEU QB 1 42 LEU MD1 . . 4.510 4.121 3.397 4.747 0.237 15 0 "[ . 1 . 2]" 1
202 1 21 LEU QB 1 55 ILE HA . . 3.040 2.573 2.163 3.017 . 0 0 "[ . 1 . 2]" 1
203 1 21 LEU QB 1 55 ILE MD . . 4.540 3.761 3.410 4.145 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU QB 1 55 ILE QG . . 3.500 2.849 2.440 3.242 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU QB 1 55 ILE MG . . 2.960 1.899 1.832 2.067 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU QB 1 56 SER H . . 4.950 4.214 3.686 4.871 . 0 0 "[ . 1 . 2]" 1
207 1 21 LEU HB2 1 22 THR H . . 4.790 4.459 4.323 4.587 . 0 0 "[ . 1 . 2]" 1
208 1 21 LEU HB2 1 23 LEU QD . . 5.120 4.355 4.231 4.656 . 0 0 "[ . 1 . 2]" 1
209 1 21 LEU HB3 1 22 THR H . . 4.790 4.440 4.286 4.515 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU HB3 1 23 LEU QD . . 5.120 3.887 3.429 4.562 . 0 0 "[ . 1 . 2]" 1
211 1 21 LEU HG 1 22 THR H . . 4.180 3.762 3.390 4.052 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU HG 1 23 LEU H . . 3.910 3.860 3.382 4.276 0.366 13 0 "[ . 1 . 2]" 1
213 1 21 LEU HG 1 23 LEU QB . . 3.920 3.750 3.045 4.278 0.358 19 0 "[ . 1 . 2]" 1
214 1 21 LEU HG 1 55 ILE HA . . 4.520 4.195 3.884 4.572 0.052 2 0 "[ . 1 . 2]" 1
215 1 21 LEU HG 1 55 ILE MG . . 4.290 3.593 3.245 3.882 . 0 0 "[ . 1 . 2]" 1
216 1 21 LEU HG 1 57 VAL HA . . 4.690 4.635 4.269 5.035 0.345 16 0 "[ . 1 . 2]" 1
217 1 22 THR H 1 22 THR HB . . 3.160 2.919 2.691 3.274 0.114 16 0 "[ . 1 . 2]" 1
218 1 22 THR H 1 23 LEU H . . 4.330 4.112 3.900 4.277 . 0 0 "[ . 1 . 2]" 1
219 1 22 THR H 1 23 LEU QB . . 4.660 4.532 4.318 4.798 0.138 12 0 "[ . 1 . 2]" 1
220 1 22 THR H 1 23 LEU QD . . 4.840 4.059 3.636 4.459 . 0 0 "[ . 1 . 2]" 1
221 1 22 THR HA 1 23 LEU H . . 2.460 2.187 2.155 2.266 . 0 0 "[ . 1 . 2]" 1
222 1 22 THR HA 1 58 HIS H . . 5.100 5.106 4.737 5.521 0.421 5 0 "[ . 1 . 2]" 1
223 1 22 THR HB 1 23 LEU H . . 4.560 4.200 3.952 4.278 . 0 0 "[ . 1 . 2]" 1
224 1 22 THR MG 1 54 LYS QB . . 4.870 3.802 3.267 4.343 . 0 0 "[ . 1 . 2]" 1
225 1 22 THR MG 1 54 LYS QD . . 3.470 2.982 2.157 4.474 1.004 18 1 "[ . 1 . + 2]" 1
226 1 22 THR MG 1 56 SER H . . 5.120 3.335 2.586 3.900 . 0 0 "[ . 1 . 2]" 1
227 1 23 LEU H 1 23 LEU QB . . 3.240 3.029 2.824 3.267 0.027 19 0 "[ . 1 . 2]" 1
228 1 23 LEU H 1 23 LEU QD . . 2.840 2.112 1.689 3.197 0.357 20 0 "[ . 1 . 2]" 1
229 1 23 LEU H 1 24 HIS H . . 4.710 4.416 4.368 4.494 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU H 1 56 SER H . . 4.990 4.343 3.833 4.908 . 0 0 "[ . 1 . 2]" 1
231 1 23 LEU H 1 57 VAL HA . . 3.400 3.291 2.807 3.673 0.273 2 0 "[ . 1 . 2]" 1
232 1 23 LEU H 1 57 VAL MG1 . . 5.040 4.670 4.158 5.137 0.097 6 0 "[ . 1 . 2]" 1
233 1 23 LEU H 1 58 HIS H . . 3.790 3.582 3.179 4.017 0.227 5 0 "[ . 1 . 2]" 1
234 1 23 LEU HA 1 23 LEU QB . . 2.590 2.168 2.161 2.174 . 0 0 "[ . 1 . 2]" 1
235 1 23 LEU HA 1 24 HIS H . . 2.590 2.264 2.157 2.407 . 0 0 "[ . 1 . 2]" 1
236 1 23 LEU QB 1 23 LEU QD . . 2.750 1.879 1.814 1.940 . 0 0 "[ . 1 . 2]" 1
237 1 23 LEU QB 1 24 HIS H . . 4.180 2.667 2.298 2.927 . 0 0 "[ . 1 . 2]" 1
238 1 23 LEU QB 1 35 LEU QD . . 4.520 2.634 2.186 3.523 . 0 0 "[ . 1 . 2]" 1
239 1 23 LEU QB 1 35 LEU HG . . 5.090 3.875 3.105 4.300 . 0 0 "[ . 1 . 2]" 1
240 1 23 LEU QD 1 35 LEU HA . . 4.470 3.920 3.179 4.435 . 0 0 "[ . 1 . 2]" 1
241 1 23 LEU QD 1 35 LEU QB . . 4.600 3.740 3.146 3.997 . 0 0 "[ . 1 . 2]" 1
242 1 23 LEU QD 1 36 ASP HA . . 5.250 4.268 3.897 5.089 . 0 0 "[ . 1 . 2]" 1
243 1 23 LEU QD 1 38 LEU QB . . 5.030 3.927 3.174 4.890 . 0 0 "[ . 1 . 2]" 1
244 1 23 LEU QD 1 39 GLN H . . 4.480 3.779 3.235 4.338 . 0 0 "[ . 1 . 2]" 1
245 1 23 LEU QD 1 39 GLN HA . . 4.420 3.128 2.774 3.653 . 0 0 "[ . 1 . 2]" 1
246 1 23 LEU QD 1 39 GLN QG . . 4.300 2.605 1.863 3.945 . 0 0 "[ . 1 . 2]" 1
247 1 23 LEU QD 1 57 VAL HA . . 3.670 2.270 1.866 2.988 . 0 0 "[ . 1 . 2]" 1
248 1 24 HIS H 1 24 HIS QB . . 3.030 2.743 2.591 3.234 0.204 19 0 "[ . 1 . 2]" 1
249 1 24 HIS H 1 25 LEU H . . 4.410 4.121 3.931 4.226 . 0 0 "[ . 1 . 2]" 1
250 1 24 HIS H 1 35 LEU QD . . 4.070 3.618 3.189 4.609 0.539 13 1 "[ . 1 + . 2]" 1
251 1 24 HIS HA 1 25 LEU H . . 2.420 2.154 2.115 2.223 . 0 0 "[ . 1 . 2]" 1
252 1 24 HIS HA 1 25 LEU HA . . 4.680 4.405 4.377 4.438 . 0 0 "[ . 1 . 2]" 1
253 1 24 HIS HA 1 35 LEU QD . . 4.890 3.957 3.461 4.631 . 0 0 "[ . 1 . 2]" 1
254 1 24 HIS HA 1 58 HIS H . . 3.820 3.595 3.283 4.031 0.211 7 0 "[ . 1 . 2]" 1
255 1 24 HIS HA 1 58 HIS QB . . 4.320 2.959 2.194 3.957 . 0 0 "[ . 1 . 2]" 1
256 1 24 HIS HA 1 59 VAL HA . . 3.940 3.964 3.199 4.771 0.831 15 2 "[ - . 1 + 2]" 1
257 1 24 HIS HA 1 60 LYS H . . 4.350 4.499 3.640 5.229 0.879 16 5 "[ . *- 1 **+ 2]" 1
258 1 24 HIS QB 1 58 HIS H . . 5.020 4.255 3.624 4.957 . 0 0 "[ . 1 . 2]" 1
259 1 24 HIS QB 1 58 HIS QB . . 4.840 2.818 1.918 3.517 . 0 0 "[ . 1 . 2]" 1
260 1 24 HIS HD2 1 25 LEU H . . 3.130 3.231 2.165 5.954 2.824 19 6 "[ . ** 1 * .- +*]" 1
261 1 25 LEU H 1 26 ASP H . . 4.740 4.334 4.215 4.437 . 0 0 "[ . 1 . 2]" 1
262 1 25 LEU H 1 26 ASP HA . . 5.240 4.804 4.693 4.942 . 0 0 "[ . 1 . 2]" 1
263 1 25 LEU H 1 59 VAL HA . . 3.080 2.886 2.226 3.419 0.339 2 0 "[ . 1 . 2]" 1
264 1 25 LEU H 1 60 LYS H . . 3.310 3.097 2.598 3.452 0.142 16 0 "[ . 1 . 2]" 1
265 1 25 LEU HA 1 25 LEU MD1 . . 3.540 2.505 1.924 3.739 0.199 6 0 "[ . 1 . 2]" 1
266 1 25 LEU HA 1 26 ASP H . . 2.500 2.191 2.150 2.286 . 0 0 "[ . 1 . 2]" 1
267 1 25 LEU HA 1 35 LEU QD . . 5.000 3.707 3.311 4.130 . 0 0 "[ . 1 . 2]" 1
268 1 25 LEU QB 1 26 ASP HA . . 5.090 4.554 4.090 4.800 . 0 0 "[ . 1 . 2]" 1
269 1 25 LEU QB 1 59 VAL HB . . 4.820 4.575 3.246 5.140 0.320 6 0 "[ . 1 . 2]" 1
270 1 26 ASP H 1 27 ASP H . . 3.960 3.621 2.733 4.234 0.274 8 0 "[ . 1 . 2]" 1
271 1 26 ASP HA 1 27 ASP H . . 2.560 2.346 2.163 2.804 0.244 15 0 "[ . 1 . 2]" 1
272 1 26 ASP HA 1 27 ASP HA . . 4.600 4.357 4.298 4.542 . 0 0 "[ . 1 . 2]" 1
273 1 26 ASP HA 1 60 LYS H . . 4.860 3.998 3.203 4.805 . 0 0 "[ . 1 . 2]" 1
274 1 26 ASP HA 1 60 LYS QG . . 5.090 4.389 3.721 5.366 0.276 18 0 "[ . 1 . 2]" 1
275 1 26 ASP HA 1 61 LEU HA . . 4.240 4.270 3.367 4.917 0.677 3 3 "[ + . * 1 -. 2]" 1
276 1 27 ASP H 1 28 ALA H . . 4.330 4.217 3.861 4.411 0.081 5 0 "[ . 1 . 2]" 1
277 1 27 ASP H 1 28 ALA HA . . 4.780 4.591 4.283 4.976 0.196 15 0 "[ . 1 . 2]" 1
278 1 27 ASP H 1 61 LEU HG . . 4.620 4.320 2.899 5.450 0.830 14 3 "[ - . 1 * +. 2]" 1
279 1 27 ASP QB 1 30 SER QB . . 3.070 2.947 2.174 4.020 0.950 14 3 "[ . 1 +. -*2]" 1
280 1 27 ASP QB 1 61 LEU HA . . 4.850 4.250 3.238 4.737 . 0 0 "[ . 1 . 2]" 1
281 1 28 ALA H 1 28 ALA MB . . 3.210 2.474 2.276 2.812 . 0 0 "[ . 1 . 2]" 1
282 1 28 ALA H 1 29 CYS H . . 4.820 4.431 4.164 4.576 . 0 0 "[ . 1 . 2]" 1
283 1 28 ALA HA 1 29 CYS H . . 2.570 2.234 2.156 2.333 . 0 0 "[ . 1 . 2]" 1
284 1 28 ALA HA 1 30 SER H . . 3.580 3.535 3.179 4.333 0.753 18 1 "[ . 1 . + 2]" 1
285 1 28 ALA HA 1 62 GLY H . . 4.640 4.786 3.965 5.715 1.075 14 4 "[ ** - 1 +. 2]" 1
286 1 28 ALA HA 1 64 ARG HA . . 5.260 4.904 3.846 5.351 0.091 18 0 "[ . 1 . 2]" 1
287 1 28 ALA MB 1 29 CYS H . . 4.250 2.704 2.465 3.023 . 0 0 "[ . 1 . 2]" 1
288 1 28 ALA MB 1 62 GLY H . . 5.000 4.782 4.240 5.402 0.402 16 0 "[ . 1 . 2]" 1
289 1 29 CYS H 1 29 CYS HA . . 2.560 2.263 2.255 2.280 . 0 0 "[ . 1 . 2]" 1
290 1 29 CYS H 1 30 SER H . . 3.070 2.781 2.642 3.144 0.074 10 0 "[ . 1 . 2]" 1
291 1 29 CYS H 1 63 ASN H . . 4.080 4.317 3.320 5.419 1.339 19 6 "[ - * 1 * *+*]" 1
292 1 29 CYS HA 1 29 CYS QB . . 2.550 2.357 2.284 2.477 . 0 0 "[ . 1 . 2]" 1
293 1 29 CYS HA 1 63 ASN QD . . 4.880 4.706 3.247 6.089 1.209 18 4 "[ - * 1 * + 2]" 1
294 1 29 CYS HA 1 64 ARG HA . . 3.220 2.922 2.458 3.515 0.295 12 0 "[ . 1 . 2]" 1
295 1 29 CYS QB 1 30 SER HA . . 4.880 4.261 4.019 4.474 . 0 0 "[ . 1 . 2]" 1
296 1 29 CYS QB 1 63 ASN QD . . 4.850 4.298 3.401 5.793 0.943 18 1 "[ . 1 . + 2]" 1
297 1 30 SER HA 1 30 SER QB . . 2.510 2.343 2.162 2.538 0.028 5 0 "[ . 1 . 2]" 1
298 1 30 SER HA 1 31 PHE HA . . 4.640 4.361 4.306 4.506 . 0 0 "[ . 1 . 2]" 1
299 1 30 SER HA 1 31 PHE QB . . 4.440 4.381 4.002 4.816 0.376 15 0 "[ . 1 . 2]" 1
300 1 31 PHE HA 1 32 ASP H . . 2.470 2.201 2.113 2.432 . 0 0 "[ . 1 . 2]" 1
301 1 31 PHE HA 1 33 GLU H . . 4.620 4.019 3.339 5.670 1.050 14 1 "[ . 1 +. 2]" 1
302 1 31 PHE HA 1 64 ARG QG . . 4.730 4.759 3.370 5.756 1.026 16 7 "[ *.*** 1 -+ * 2]" 1
303 1 31 PHE QB 1 32 ASP HA . . 4.970 4.434 3.950 4.754 . 0 0 "[ . 1 . 2]" 1
304 1 31 PHE QB 1 33 GLU HA . . 5.050 4.781 4.335 5.470 0.420 14 0 "[ . 1 . 2]" 1
305 1 31 PHE QB 1 33 GLU QB . . 3.560 3.335 2.778 4.574 1.014 14 1 "[ . 1 +. 2]" 1
306 1 32 ASP H 1 32 ASP QB . . 3.600 2.781 2.369 3.108 . 0 0 "[ . 1 . 2]" 1
307 1 32 ASP H 1 33 GLU H . . 3.670 2.936 2.185 3.830 0.160 11 0 "[ . 1 . 2]" 1
308 1 32 ASP H 1 33 GLU HA . . 5.090 4.660 4.213 5.013 . 0 0 "[ . 1 . 2]" 1
309 1 32 ASP H 1 66 LEU QD . . 4.780 3.737 2.070 4.840 0.060 12 0 "[ . 1 . 2]" 1
310 1 32 ASP HA 1 32 ASP HB2 . . 2.800 2.620 2.411 3.028 0.228 13 0 "[ . 1 . 2]" 1
311 1 32 ASP HA 1 32 ASP HB3 . . 2.800 2.443 2.272 3.021 0.221 14 0 "[ . 1 . 2]" 1
312 1 32 ASP HA 1 33 GLU H . . 2.940 2.860 2.195 3.279 0.339 15 0 "[ . 1 . 2]" 1
313 1 32 ASP HA 1 33 GLU QG . . 4.990 4.349 3.814 5.053 0.063 10 0 "[ . 1 . 2]" 1
314 1 32 ASP HA 1 35 LEU H . . 3.950 3.431 3.058 4.497 0.547 14 1 "[ . 1 +. 2]" 1
315 1 32 ASP HA 1 35 LEU QB . . 4.430 3.276 2.472 4.997 0.567 14 1 "[ . 1 +. 2]" 1
316 1 32 ASP QB 1 35 LEU H . . 4.900 3.509 3.029 4.013 . 0 0 "[ . 1 . 2]" 1
317 1 32 ASP QB 1 35 LEU HA . . 4.590 4.910 4.300 5.689 1.099 15 6 "[ *.- * 1 * *+ 2]" 1
318 1 32 ASP QB 1 36 ASP QB . . 4.680 4.081 2.714 5.815 1.135 20 2 "[ . 1 -. +]" 1
319 1 33 GLU H 1 33 GLU QG . . 3.240 2.209 2.031 3.217 . 0 0 "[ . 1 . 2]" 1
320 1 33 GLU H 1 35 LEU H . . 4.280 4.053 3.899 4.503 0.223 14 0 "[ . 1 . 2]" 1
321 1 33 GLU HA 1 33 GLU QB . . 2.530 2.188 2.171 2.380 . 0 0 "[ . 1 . 2]" 1
322 1 33 GLU HA 1 33 GLU QG . . 3.650 3.310 2.447 3.470 . 0 0 "[ . 1 . 2]" 1
323 1 33 GLU HA 1 34 LEU HA . . 4.920 4.702 4.590 4.778 . 0 0 "[ . 1 . 2]" 1
324 1 33 GLU HA 1 35 LEU H . . 3.990 3.993 3.613 4.427 0.437 4 0 "[ . 1 . 2]" 1
325 1 33 GLU HA 1 36 ASP QB . . 4.010 3.115 2.384 4.309 0.299 14 0 "[ . 1 . 2]" 1
326 1 33 GLU QG 1 34 LEU QB . . 4.750 3.607 2.864 5.926 1.176 19 1 "[ . 1 . +2]" 1
327 1 33 GLU QG 1 34 LEU QD . . 4.110 2.575 1.799 5.216 1.106 19 1 "[ . 1 . +2]" 1
328 1 34 LEU H 1 34 LEU QB . . 3.600 2.277 2.129 2.479 . 0 0 "[ . 1 . 2]" 1
329 1 34 LEU H 1 34 LEU QD . . 5.190 2.904 2.107 3.604 . 0 0 "[ . 1 . 2]" 1
330 1 34 LEU H 1 35 LEU QB . . 5.010 4.136 3.837 4.333 . 0 0 "[ . 1 . 2]" 1
331 1 34 LEU H 1 36 ASP H . . 4.560 4.259 4.092 4.439 . 0 0 "[ . 1 . 2]" 1
332 1 34 LEU HA 1 34 LEU QB . . 2.580 2.447 2.341 2.533 . 0 0 "[ . 1 . 2]" 1
333 1 34 LEU HA 1 34 LEU QD . . 3.930 1.996 1.877 2.134 . 0 0 "[ . 1 . 2]" 1
334 1 34 LEU HA 1 35 LEU HA . . 4.870 4.685 4.512 4.850 . 0 0 "[ . 1 . 2]" 1
335 1 34 LEU HA 1 37 GLY H . . 4.200 3.723 3.380 4.124 . 0 0 "[ . 1 . 2]" 1
336 1 34 LEU HA 1 38 LEU H . . 4.800 4.517 3.950 5.191 0.391 20 0 "[ . 1 . 2]" 1
337 1 34 LEU QB 1 35 LEU H . . 4.410 3.000 2.656 3.535 . 0 0 "[ . 1 . 2]" 1
338 1 34 LEU QB 1 35 LEU HA . . 4.770 3.968 3.764 4.204 . 0 0 "[ . 1 . 2]" 1
339 1 35 LEU H 1 35 LEU QB . . 3.040 2.263 2.094 2.405 . 0 0 "[ . 1 . 2]" 1
340 1 35 LEU H 1 36 ASP H . . 2.520 2.452 2.203 2.913 0.393 14 0 "[ . 1 . 2]" 1
341 1 35 LEU H 1 36 ASP QB . . 4.400 4.227 3.888 5.059 0.659 14 1 "[ . 1 +. 2]" 1
342 1 35 LEU H 1 37 GLY H . . 3.790 3.759 3.290 4.180 0.390 4 0 "[ . 1 . 2]" 1
343 1 35 LEU H 1 38 LEU H . . 4.980 4.872 4.543 5.401 0.421 20 0 "[ . 1 . 2]" 1
344 1 35 LEU HA 1 36 ASP HA . . 5.110 4.796 4.720 4.839 . 0 0 "[ . 1 . 2]" 1
345 1 35 LEU HA 1 38 LEU QB . . 3.330 3.243 2.750 3.980 0.650 6 1 "[ .+ 1 . 2]" 1
346 1 35 LEU HA 1 39 GLN H . . 4.380 4.199 4.037 4.471 0.091 6 0 "[ . 1 . 2]" 1
347 1 35 LEU QB 1 35 LEU HG . . 2.600 2.438 2.346 2.538 . 0 0 "[ . 1 . 2]" 1
348 1 35 LEU QB 1 36 ASP H . . 2.680 2.371 2.219 2.874 0.194 20 0 "[ . 1 . 2]" 1
349 1 35 LEU QB 1 36 ASP QB . . 4.070 3.847 3.659 4.622 0.552 12 1 "[ . 1 + . 2]" 1
350 1 35 LEU QB 1 37 GLY H . . 4.990 4.559 4.379 4.761 . 0 0 "[ . 1 . 2]" 1
351 1 35 LEU HG 1 36 ASP H . . 4.600 4.036 3.651 5.156 0.556 20 1 "[ . 1 . +]" 1
352 1 35 LEU HG 1 38 LEU QB . . 4.870 4.640 4.149 5.179 0.309 6 0 "[ . 1 . 2]" 1
353 1 36 ASP H 1 36 ASP QB . . 2.460 2.232 2.084 2.594 0.134 12 0 "[ . 1 . 2]" 1
354 1 36 ASP H 1 37 GLY H . . 3.010 2.684 2.550 2.795 . 0 0 "[ . 1 . 2]" 1
355 1 36 ASP H 1 38 LEU H . . 4.750 4.410 3.996 4.679 . 0 0 "[ . 1 . 2]" 1
356 1 36 ASP H 1 39 GLN H . . 5.040 4.739 4.589 5.057 0.017 7 0 "[ . 1 . 2]" 1
357 1 36 ASP HA 1 36 ASP HB2 . . 2.960 2.380 2.242 3.029 0.069 12 0 "[ . 1 . 2]" 1
358 1 36 ASP HA 1 36 ASP QB . . 2.440 2.254 2.161 2.363 . 0 0 "[ . 1 . 2]" 1
359 1 36 ASP HA 1 36 ASP HB3 . . 2.960 2.888 2.426 3.027 0.067 2 0 "[ . 1 . 2]" 1
360 1 36 ASP HA 1 38 LEU H . . 4.860 4.430 3.974 4.698 . 0 0 "[ . 1 . 2]" 1
361 1 36 ASP HA 1 39 GLN H . . 3.780 3.390 3.034 3.615 . 0 0 "[ . 1 . 2]" 1
362 1 36 ASP HA 1 39 GLN QE . . 3.590 2.738 1.930 3.500 . 0 0 "[ . 1 . 2]" 1
363 1 36 ASP HA 1 39 GLN QG . . 4.540 3.540 2.085 4.062 . 0 0 "[ . 1 . 2]" 1
364 1 36 ASP QB 1 37 GLY H . . 3.670 2.894 2.472 3.533 . 0 0 "[ . 1 . 2]" 1
365 1 36 ASP QB 1 40 ASN QB . . 4.720 4.660 4.167 5.644 0.924 19 2 "[ . 1 . -+2]" 1
366 1 36 ASP HB2 1 37 GLY H . . 4.380 3.986 2.590 4.265 . 0 0 "[ . 1 . 2]" 1
367 1 36 ASP HB3 1 37 GLY H . . 4.380 3.050 2.502 3.925 . 0 0 "[ . 1 . 2]" 1
368 1 37 GLY H 1 37 GLY QA . . 2.440 2.194 2.189 2.201 . 0 0 "[ . 1 . 2]" 1
369 1 37 GLY H 1 38 LEU H . . 3.090 2.823 2.727 2.963 . 0 0 "[ . 1 . 2]" 1
370 1 37 GLY H 1 38 LEU QB . . 4.870 4.628 4.441 4.884 0.014 13 0 "[ . 1 . 2]" 1
371 1 37 GLY H 1 39 GLN H . . 4.350 4.103 3.847 4.718 0.368 7 0 "[ . 1 . 2]" 1
372 1 37 GLY QA 1 38 LEU H . . 2.860 2.660 2.564 2.829 . 0 0 "[ . 1 . 2]" 1
373 1 37 GLY QA 1 38 LEU HA . . 4.510 3.997 3.973 4.023 . 0 0 "[ . 1 . 2]" 1
374 1 37 GLY QA 1 40 ASN H . . 5.130 3.823 3.530 4.219 . 0 0 "[ . 1 . 2]" 1
375 1 38 LEU H 1 38 LEU QB . . 2.440 2.181 2.073 2.395 . 0 0 "[ . 1 . 2]" 1
376 1 38 LEU H 1 39 GLN H . . 2.840 2.504 2.199 2.624 . 0 0 "[ . 1 . 2]" 1
377 1 38 LEU H 1 40 ASN H . . 4.640 4.265 3.730 4.569 . 0 0 "[ . 1 . 2]" 1
378 1 38 LEU H 1 41 MET H . . 5.010 4.730 4.665 4.864 . 0 0 "[ . 1 . 2]" 1
379 1 38 LEU HA 1 38 LEU MD1 . . 3.890 2.318 1.932 3.868 . 0 0 "[ . 1 . 2]" 1
380 1 38 LEU HA 1 40 ASN H . . 4.910 4.557 4.357 4.730 . 0 0 "[ . 1 . 2]" 1
381 1 38 LEU HA 1 41 MET H . . 3.890 3.503 3.172 3.907 0.017 7 0 "[ . 1 . 2]" 1
382 1 38 LEU HA 1 42 LEU H . . 3.960 3.653 3.457 4.097 0.137 8 0 "[ . 1 . 2]" 1
383 1 38 LEU HA 1 42 LEU QB . . 5.150 4.889 4.632 5.136 . 0 0 "[ . 1 . 2]" 1
384 1 38 LEU HA 1 42 LEU MD1 . . 4.600 4.039 3.462 4.422 . 0 0 "[ . 1 . 2]" 1
385 1 38 LEU QB 1 39 GLN H . . 2.910 2.682 2.408 2.872 . 0 0 "[ . 1 . 2]" 1
386 1 38 LEU QB 1 42 LEU HG . . 4.140 3.660 2.950 4.834 0.694 8 1 "[ . + 1 . 2]" 1
387 1 38 LEU HB2 1 39 GLN H . . 3.540 2.930 2.691 3.846 0.306 2 0 "[ . 1 . 2]" 1
388 1 38 LEU HB3 1 39 GLN H . . 3.540 3.242 2.571 3.712 0.172 13 0 "[ . 1 . 2]" 1
389 1 39 GLN H 1 40 ASN H . . 3.150 2.807 2.594 2.939 . 0 0 "[ . 1 . 2]" 1
390 1 39 GLN H 1 40 ASN QB . . 5.080 4.548 4.328 4.649 . 0 0 "[ . 1 . 2]" 1
391 1 39 GLN H 1 41 MET H . . 4.430 4.114 3.750 4.530 0.100 7 0 "[ . 1 . 2]" 1
392 1 39 GLN H 1 42 LEU H . . 5.200 4.836 4.772 4.960 . 0 0 "[ . 1 . 2]" 1
393 1 39 GLN HA 1 39 GLN QG . . 3.500 2.669 2.301 3.389 . 0 0 "[ . 1 . 2]" 1
394 1 39 GLN HA 1 42 LEU H . . 4.480 4.004 3.543 4.232 . 0 0 "[ . 1 . 2]" 1
395 1 39 GLN HA 1 43 SER H . . 4.670 4.192 3.694 4.394 . 0 0 "[ . 1 . 2]" 1
396 1 39 GLN QE 1 40 ASN H . . 5.130 3.736 2.851 4.759 . 0 0 "[ . 1 . 2]" 1
397 1 39 GLN QE 1 40 ASN QB . . 4.760 3.799 2.682 4.958 0.198 19 0 "[ . 1 . 2]" 1
398 1 39 GLN QE 1 40 ASN QD . . 4.120 3.677 2.222 5.105 0.985 14 4 "[ . 1 **+- 2]" 1
399 1 39 GLN QG 1 57 VAL MG2 . . 3.450 3.147 2.633 3.896 0.446 4 0 "[ . 1 . 2]" 1
400 1 40 ASN H 1 40 ASN HB2 . . 3.220 2.316 2.079 2.736 . 0 0 "[ . 1 . 2]" 1
401 1 40 ASN H 1 40 ASN QB . . 2.440 2.178 2.052 2.247 . 0 0 "[ . 1 . 2]" 1
402 1 40 ASN H 1 40 ASN HB3 . . 3.220 2.898 2.334 3.544 0.324 18 0 "[ . 1 . 2]" 1
403 1 40 ASN H 1 40 ASN QD . . 4.140 3.856 2.265 4.550 0.410 15 0 "[ . 1 . 2]" 1
404 1 40 ASN H 1 41 MET H . . 2.850 2.623 2.467 2.781 . 0 0 "[ . 1 . 2]" 1
405 1 40 ASN H 1 42 LEU H . . 4.710 4.443 4.101 4.677 . 0 0 "[ . 1 . 2]" 1
406 1 40 ASN H 1 43 SER H . . 5.200 4.943 4.819 5.246 0.046 6 0 "[ . 1 . 2]" 1
407 1 40 ASN HA 1 40 ASN QD . . 3.890 2.966 2.332 3.547 . 0 0 "[ . 1 . 2]" 1
408 1 40 ASN HA 1 43 SER H . . 4.000 3.853 3.588 4.402 0.402 4 0 "[ . 1 . 2]" 1
409 1 40 ASN HA 1 43 SER QB . . 4.690 3.102 2.694 4.042 . 0 0 "[ . 1 . 2]" 1
410 1 40 ASN HA 1 44 ILE H . . 5.000 4.683 4.114 5.714 0.714 4 1 "[ +. 1 . 2]" 1
411 1 40 ASN QB 1 40 ASN QD . . 2.470 2.195 2.076 2.602 0.132 5 0 "[ . 1 . 2]" 1
412 1 40 ASN QB 1 41 MET H . . 2.900 2.659 2.297 3.326 0.426 4 0 "[ . 1 . 2]" 1
413 1 40 ASN QD 1 74 LEU QB . . 2.930 3.096 2.171 4.303 1.373 19 8 "[ *** 1 * *- *+2]" 1
414 1 40 ASN QD 1 74 LEU HG . . 4.810 4.499 3.978 5.309 0.499 15 0 "[ . 1 . 2]" 1
415 1 41 MET H 1 42 LEU H . . 3.150 2.782 2.181 2.912 . 0 0 "[ . 1 . 2]" 1
416 1 41 MET H 1 42 LEU QB . . 5.130 4.719 3.984 4.985 . 0 0 "[ . 1 . 2]" 1
417 1 41 MET H 1 43 SER H . . 4.480 4.148 3.456 4.391 . 0 0 "[ . 1 . 2]" 1
418 1 41 MET HA 1 44 ILE HB . . 3.560 3.511 2.980 4.214 0.654 3 2 "[ -+ . 1 . 2]" 1
419 1 41 MET HA 1 44 ILE QG . . 4.590 4.106 3.379 4.624 0.034 3 0 "[ . 1 . 2]" 1
420 1 42 LEU H 1 42 LEU QB . . 2.650 2.384 2.240 2.520 . 0 0 "[ . 1 . 2]" 1
421 1 42 LEU H 1 42 LEU MD1 . . 4.140 3.506 3.288 3.757 . 0 0 "[ . 1 . 2]" 1
422 1 42 LEU H 1 43 SER H . . 2.960 2.727 2.639 2.842 . 0 0 "[ . 1 . 2]" 1
423 1 42 LEU H 1 44 ILE H . . 4.330 4.191 4.014 4.411 0.081 3 0 "[ . 1 . 2]" 1
424 1 42 LEU H 1 45 GLU H . . 4.980 4.680 4.527 5.229 0.249 13 0 "[ . 1 . 2]" 1
425 1 42 LEU HA 1 42 LEU QB . . 2.590 2.392 2.329 2.458 . 0 0 "[ . 1 . 2]" 1
426 1 42 LEU HA 1 42 LEU HG . . 3.220 2.916 2.652 3.158 . 0 0 "[ . 1 . 2]" 1
427 1 42 LEU HA 1 43 SER HA . . 5.050 4.800 4.755 4.884 . 0 0 "[ . 1 . 2]" 1
428 1 42 LEU HA 1 45 GLU H . . 3.530 3.216 2.979 3.694 0.164 8 0 "[ . 1 . 2]" 1
429 1 42 LEU HA 1 46 GLN H . . 3.420 3.314 2.869 3.765 0.345 14 0 "[ . 1 . 2]" 1
430 1 42 LEU QB 1 43 SER H . . 2.980 2.669 2.534 2.880 . 0 0 "[ . 1 . 2]" 1
431 1 42 LEU QB 1 44 ILE H . . 5.040 4.572 4.360 4.791 . 0 0 "[ . 1 . 2]" 1
432 1 42 LEU QB 1 46 GLN H . . 4.580 4.155 3.736 4.531 . 0 0 "[ . 1 . 2]" 1
433 1 42 LEU QB 1 46 GLN QE . . 4.890 4.831 3.450 5.937 1.047 15 5 "[ - . 1 **+* 2]" 1
434 1 43 SER H 1 43 SER QB . . 3.590 2.442 2.107 2.710 . 0 0 "[ . 1 . 2]" 1
435 1 43 SER H 1 44 ILE HB . . 5.110 5.070 4.786 5.437 0.327 2 0 "[ . 1 . 2]" 1
436 1 43 SER H 1 44 ILE QG . . 4.500 4.143 3.778 4.528 0.028 11 0 "[ . 1 . 2]" 1
437 1 43 SER H 1 45 GLU H . . 4.480 4.043 3.852 4.686 0.206 8 0 "[ . 1 . 2]" 1
438 1 43 SER HA 1 43 SER QB . . 2.550 2.361 2.178 2.510 . 0 0 "[ . 1 . 2]" 1
439 1 43 SER HA 1 44 ILE HA . . 4.850 4.610 4.523 4.689 . 0 0 "[ . 1 . 2]" 1
440 1 43 SER HA 1 47 TYR HA . . 5.020 4.553 3.604 5.472 0.452 3 0 "[ . 1 . 2]" 1
441 1 43 SER HA 1 55 ILE MD . . 5.250 4.640 3.963 5.839 0.589 20 1 "[ . 1 . +]" 1
442 1 43 SER QB 1 44 ILE H . . 4.370 2.945 2.645 3.295 . 0 0 "[ . 1 . 2]" 1
443 1 44 ILE H 1 44 ILE HB . . 2.790 2.589 2.337 2.869 0.079 13 0 "[ . 1 . 2]" 1
444 1 44 ILE H 1 44 ILE QG . . 3.030 2.371 1.896 2.750 . 0 0 "[ . 1 . 2]" 1
445 1 44 ILE H 1 46 GLN H . . 4.600 4.274 3.650 4.757 0.157 14 0 "[ . 1 . 2]" 1
446 1 44 ILE HA 1 44 ILE MD . . 4.620 3.783 2.022 3.983 . 0 0 "[ . 1 . 2]" 1
447 1 44 ILE HA 1 44 ILE HG12 . . 3.280 2.635 2.420 2.856 . 0 0 "[ . 1 . 2]" 1
448 1 44 ILE HA 1 44 ILE QG . . 2.600 2.488 2.299 2.689 0.089 11 0 "[ . 1 . 2]" 1
449 1 44 ILE HA 1 44 ILE HG13 . . 3.280 3.066 2.834 3.559 0.279 11 0 "[ . 1 . 2]" 1
450 1 44 ILE HB 1 45 GLU HA . . 4.750 4.306 4.011 4.601 . 0 0 "[ . 1 . 2]" 1
451 1 44 ILE QG 1 44 ILE MG . . 3.220 2.292 2.218 2.363 . 0 0 "[ . 1 . 2]" 1
452 1 45 GLU HA 1 46 GLN QB . . 5.070 4.467 4.290 4.736 . 0 0 "[ . 1 . 2]" 1
453 1 46 GLN H 1 46 GLN QB . . 2.980 2.818 2.640 3.278 0.298 19 0 "[ . 1 . 2]" 1
454 1 46 GLN H 1 46 GLN QE . . 4.350 4.313 3.162 5.366 1.016 15 4 "[ - . 1 * +* 2]" 1
455 1 46 GLN H 1 47 TYR H . . 4.280 3.871 3.508 4.339 0.059 19 0 "[ . 1 . 2]" 1
456 1 46 GLN HA 1 46 GLN QB . . 2.490 2.319 2.178 2.497 0.007 15 0 "[ . 1 . 2]" 1
457 1 46 GLN HA 1 46 GLN QE . . 4.430 4.134 3.830 4.401 . 0 0 "[ . 1 . 2]" 1
458 1 46 GLN HA 1 47 TYR H . . 2.430 2.177 2.126 2.310 . 0 0 "[ . 1 . 2]" 1
459 1 46 GLN HA 1 47 TYR HA . . 4.680 4.393 4.354 4.476 . 0 0 "[ . 1 . 2]" 1
460 1 46 GLN HA 1 47 TYR QB . . 4.790 4.477 4.176 4.598 . 0 0 "[ . 1 . 2]" 1
461 1 46 GLN HA 1 48 THR H . . 3.580 3.359 3.066 3.881 0.301 19 0 "[ . 1 . 2]" 1
462 1 46 GLN QB 1 46 GLN QE . . 4.070 2.627 2.005 3.108 . 0 0 "[ . 1 . 2]" 1
463 1 46 GLN QB 1 46 GLN QG . . 2.240 2.037 1.997 2.073 . 0 0 "[ . 1 . 2]" 1
464 1 46 GLN QE 1 47 TYR H . . 4.470 4.296 3.793 4.950 0.480 16 0 "[ . 1 . 2]" 1
465 1 46 GLN QE 1 47 TYR HA . . 3.380 3.411 2.885 4.401 1.021 16 1 "[ . 1 .+ 2]" 1
466 1 46 GLN QE 1 48 THR H . . 4.420 3.805 2.498 5.157 0.737 19 1 "[ . 1 . +2]" 1
467 1 47 TYR H 1 47 TYR QD . . 5.070 2.305 1.920 3.148 . 0 0 "[ . 1 . 2]" 1
468 1 47 TYR H 1 48 THR H . . 2.320 2.117 1.758 2.420 0.100 6 0 "[ . 1 . 2]" 1
469 1 47 TYR HA 1 47 TYR HB2 . . 2.790 2.441 2.366 2.546 . 0 0 "[ . 1 . 2]" 1
470 1 47 TYR HA 1 47 TYR HB3 . . 2.790 2.476 2.365 2.555 . 0 0 "[ . 1 . 2]" 1
471 1 47 TYR HA 1 48 THR H . . 3.440 3.078 2.854 3.504 0.064 19 0 "[ . 1 . 2]" 1
472 1 47 TYR HA 1 48 THR HA . . 4.870 4.586 4.413 4.705 . 0 0 "[ . 1 . 2]" 1
473 1 47 TYR HA 1 49 ASP H . . 4.960 4.969 4.549 5.759 0.799 16 3 "[ - * 1 .+ 2]" 1
474 1 47 TYR QB 1 55 ILE MD . . 4.930 2.901 2.465 3.972 . 0 0 "[ . 1 . 2]" 1
475 1 47 TYR QD 1 53 GLN QE . . 3.750 3.449 2.538 4.621 0.871 13 1 "[ . 1 + . 2]" 1
476 1 47 TYR QD 1 55 ILE MD . . 3.800 3.175 2.112 5.437 1.637 19 2 "[ . 1 . +-]" 1
477 1 47 TYR QD 1 55 ILE QG . . 5.080 4.681 3.458 6.831 1.751 19 2 "[ . 1 . +-]" 1
478 1 47 TYR QD 1 84 LEU HG . . 3.380 3.211 2.242 5.220 1.840 19 2 "[ . 1 . +-]" 1
479 1 47 TYR HE2 1 53 GLN QE . . 4.940 4.475 3.699 5.573 0.633 19 1 "[ . 1 . +2]" 1
480 1 48 THR H 1 48 THR HB . . 3.020 2.943 2.687 3.361 0.341 18 0 "[ . 1 . 2]" 1
481 1 48 THR H 1 49 ASP H . . 4.270 4.081 3.648 4.489 0.219 16 0 "[ . 1 . 2]" 1
482 1 48 THR H 1 49 ASP HA . . 5.160 4.982 4.441 5.290 0.130 6 0 "[ . 1 . 2]" 1
483 1 48 THR H 1 53 GLN QE . . 4.330 4.516 3.954 5.361 1.031 16 4 "[ * 1 -*.+ 2]" 1
484 1 48 THR HA 1 49 ASP H . . 2.570 2.223 2.148 2.294 . 0 0 "[ . 1 . 2]" 1
485 1 48 THR HA 1 49 ASP HA . . 4.790 4.456 4.382 4.542 . 0 0 "[ . 1 . 2]" 1
486 1 48 THR HA 1 53 GLN QE . . 2.450 2.308 1.741 2.941 0.491 16 0 "[ . 1 . 2]" 1
487 1 48 THR HB 1 49 ASP H . . 4.680 4.199 3.815 4.386 . 0 0 "[ . 1 . 2]" 1
488 1 48 THR HB 1 49 ASP HA . . 5.200 4.694 4.237 5.015 . 0 0 "[ . 1 . 2]" 1
489 1 48 THR HB 1 53 GLN QE . . 4.990 4.691 4.269 5.228 0.238 14 0 "[ . 1 . 2]" 1
490 1 49 ASP H 1 49 ASP QB . . 2.540 2.353 2.131 2.734 0.194 14 0 "[ . 1 . 2]" 1
491 1 49 ASP H 1 52 GLY H . . 5.270 4.826 3.976 5.353 0.083 7 0 "[ . 1 . 2]" 1
492 1 49 ASP H 1 53 GLN H . . 4.670 4.050 3.572 4.868 0.198 20 0 "[ . 1 . 2]" 1
493 1 49 ASP H 1 53 GLN HA . . 4.950 4.319 3.856 4.873 . 0 0 "[ . 1 . 2]" 1
494 1 49 ASP H 1 53 GLN QB . . 2.800 2.434 2.130 2.777 . 0 0 "[ . 1 . 2]" 1
495 1 49 ASP H 1 53 GLN HE21 . . 3.300 2.876 2.244 3.956 0.656 15 2 "[ . 1 - + 2]" 1
496 1 49 ASP H 1 53 GLN QE . . 2.730 2.530 2.181 3.493 0.763 15 1 "[ . 1 + 2]" 1
497 1 49 ASP H 1 53 GLN HE22 . . 3.300 2.914 2.329 3.887 0.587 15 1 "[ . 1 + 2]" 1
498 1 49 ASP HA 1 51 LYS H . . 4.940 4.402 3.546 5.706 0.766 15 1 "[ . 1 + 2]" 1
499 1 49 ASP QB 1 53 GLN QG . . 4.850 3.962 3.451 5.815 0.965 14 2 "[ . 1 +- 2]" 1
500 1 50 GLY H 1 51 LYS H . . 2.690 2.626 2.202 3.501 0.811 4 1 "[ +. 1 . 2]" 1
501 1 50 GLY QA 1 51 LYS QD . . 3.640 3.610 2.799 4.759 1.119 19 5 "[ -** 1 * . +2]" 1
502 1 50 GLY QA 1 51 LYS QG . . 4.070 3.978 3.358 5.405 1.335 19 4 "[ . 1 * * -+2]" 1
503 1 50 GLY QA 1 52 GLY H . . 5.020 4.129 3.388 4.664 . 0 0 "[ . 1 . 2]" 1
504 1 51 LYS H 1 51 LYS QD . . 3.220 2.859 2.132 4.484 1.264 19 4 "[ *-* 1 . +2]" 1
505 1 51 LYS H 1 52 GLY QA . . 4.850 4.176 3.906 4.643 . 0 0 "[ . 1 . 2]" 1
506 1 51 LYS H 1 53 GLN H . . 4.680 4.606 3.988 5.580 0.900 20 2 "[ . 1 . - +]" 1
507 1 51 LYS HA 1 51 LYS QB . . 2.580 2.360 2.181 2.526 . 0 0 "[ . 1 . 2]" 1
508 1 51 LYS HA 1 51 LYS QD . . 4.130 3.342 1.972 4.239 0.109 7 0 "[ . 1 . 2]" 1
509 1 51 LYS HA 1 51 LYS QG . . 2.650 2.546 2.214 3.445 0.795 18 1 "[ . 1 . + 2]" 1
510 1 51 LYS HA 1 52 GLY H . . 3.250 3.286 2.919 3.569 0.319 14 0 "[ . 1 . 2]" 1
511 1 51 LYS QB 1 51 LYS QD . . 3.280 2.280 2.099 2.668 . 0 0 "[ . 1 . 2]" 1
512 1 51 LYS QB 1 51 LYS QE . . 4.000 3.012 2.001 3.774 . 0 0 "[ . 1 . 2]" 1
513 1 51 LYS QB 1 52 GLY QA . . 4.800 3.853 3.553 4.381 . 0 0 "[ . 1 . 2]" 1
514 1 51 LYS QE 1 51 LYS QG . . 3.300 2.253 2.101 2.804 . 0 0 "[ . 1 . 2]" 1
515 1 52 GLY H 1 53 GLN H . . 3.230 3.037 2.180 3.550 0.320 18 0 "[ . 1 . 2]" 1
516 1 52 GLY QA 1 85 PHE QD . . 4.300 3.220 2.541 3.825 . 0 0 "[ . 1 . 2]" 1
517 1 53 GLN H 1 53 GLN QB . . 3.010 2.749 2.564 2.934 . 0 0 "[ . 1 . 2]" 1
518 1 53 GLN H 1 53 GLN HE21 . . 4.420 4.111 2.290 4.405 . 0 0 "[ . 1 . 2]" 1
519 1 53 GLN H 1 53 GLN QE . . 3.820 3.590 2.158 3.898 0.078 16 0 "[ . 1 . 2]" 1
520 1 53 GLN H 1 53 GLN HE22 . . 4.420 3.968 2.641 4.347 . 0 0 "[ . 1 . 2]" 1
521 1 53 GLN H 1 53 GLN QG . . 3.830 2.371 2.136 2.858 . 0 0 "[ . 1 . 2]" 1
522 1 53 GLN H 1 54 LYS H . . 4.870 4.424 4.174 4.568 . 0 0 "[ . 1 . 2]" 1
523 1 53 GLN H 1 84 LEU QB . . 4.290 4.514 3.955 5.163 0.873 14 3 "[ .* 1 +.- 2]" 1
524 1 53 GLN H 1 85 PHE H . . 4.900 4.691 4.027 5.294 0.394 13 0 "[ . 1 . 2]" 1
525 1 53 GLN H 1 85 PHE QD . . 4.300 3.808 3.225 4.455 0.155 13 0 "[ . 1 . 2]" 1
526 1 53 GLN H 1 85 PHE QE . . 4.690 4.247 3.331 4.789 0.099 13 0 "[ . 1 . 2]" 1
527 1 53 GLN HA 1 53 GLN QB . . 2.510 2.167 2.149 2.182 . 0 0 "[ . 1 . 2]" 1
528 1 53 GLN HA 1 54 LYS H . . 2.480 2.149 2.102 2.234 . 0 0 "[ . 1 . 2]" 1
529 1 53 GLN HA 1 54 LYS QB . . 4.510 4.053 3.951 4.188 . 0 0 "[ . 1 . 2]" 1
530 1 53 GLN QB 1 54 LYS H . . 4.180 3.296 2.762 3.662 . 0 0 "[ . 1 . 2]" 1
531 1 53 GLN QE 1 84 LEU MD1 . . 5.080 2.808 1.993 3.714 . 0 0 "[ . 1 . 2]" 1
532 1 53 GLN QE 1 84 LEU HG . . 4.410 3.259 2.198 4.795 0.385 14 0 "[ . 1 . 2]" 1
533 1 54 LYS H 1 54 LYS HB2 . . 3.090 2.682 2.336 3.084 . 0 0 "[ . 1 . 2]" 1
534 1 54 LYS H 1 54 LYS QB . . 2.660 2.327 2.227 2.438 . 0 0 "[ . 1 . 2]" 1
535 1 54 LYS H 1 54 LYS HB3 . . 3.090 2.628 2.305 3.579 0.489 18 0 "[ . 1 . 2]" 1
536 1 54 LYS H 1 54 LYS QG . . 4.780 3.951 3.094 4.060 . 0 0 "[ . 1 . 2]" 1
537 1 54 LYS H 1 55 ILE H . . 4.500 4.250 4.047 4.412 . 0 0 "[ . 1 . 2]" 1
538 1 54 LYS H 1 55 ILE HA . . 5.270 5.051 4.886 5.256 . 0 0 "[ . 1 . 2]" 1
539 1 54 LYS H 1 55 ILE QG . . 4.640 4.208 4.023 4.411 . 0 0 "[ . 1 . 2]" 1
540 1 54 LYS HA 1 54 LYS QD . . 4.840 4.031 2.649 4.246 . 0 0 "[ . 1 . 2]" 1
541 1 54 LYS HA 1 54 LYS QG . . 2.790 2.410 2.185 2.585 . 0 0 "[ . 1 . 2]" 1
542 1 54 LYS HA 1 55 ILE H . . 2.420 2.160 2.094 2.213 . 0 0 "[ . 1 . 2]" 1
543 1 54 LYS HA 1 55 ILE HA . . 4.690 4.408 4.375 4.443 . 0 0 "[ . 1 . 2]" 1
544 1 54 LYS HA 1 55 ILE QG . . 3.890 3.667 3.398 4.004 0.114 20 0 "[ . 1 . 2]" 1
545 1 54 LYS HA 1 56 SER H . . 4.660 4.699 4.225 5.227 0.567 13 2 "[ .- 1 + . 2]" 1
546 1 54 LYS HA 1 85 PHE QB . . 3.740 2.127 1.865 2.227 . 0 0 "[ . 1 . 2]" 1
547 1 54 LYS HA 1 85 PHE QD . . 3.370 3.405 2.959 3.804 0.434 4 0 "[ . 1 . 2]" 1
548 1 54 LYS HA 1 86 VAL HA . . 5.250 4.871 4.406 5.192 . 0 0 "[ . 1 . 2]" 1
549 1 54 LYS QB 1 54 LYS QE . . 4.130 2.697 2.051 3.715 . 0 0 "[ . 1 . 2]" 1
550 1 54 LYS QB 1 55 ILE H . . 4.170 3.877 3.609 3.991 . 0 0 "[ . 1 . 2]" 1
551 1 54 LYS QB 1 55 ILE HA . . 4.980 4.578 4.294 4.748 . 0 0 "[ . 1 . 2]" 1
552 1 54 LYS QB 1 56 SER H . . 4.440 4.261 3.329 4.795 0.355 6 0 "[ . 1 . 2]" 1
553 1 54 LYS QB 1 85 PHE QB . . 4.750 3.569 2.760 3.957 . 0 0 "[ . 1 . 2]" 1
554 1 54 LYS HB2 1 55 ILE H . . 4.750 4.444 4.080 4.589 . 0 0 "[ . 1 . 2]" 1
555 1 54 LYS HB3 1 55 ILE H . . 4.750 4.283 3.792 4.460 . 0 0 "[ . 1 . 2]" 1
556 1 54 LYS QD 1 56 SER H . . 4.890 4.539 4.109 5.536 0.646 4 1 "[ +. 1 . 2]" 1
557 1 54 LYS QE 1 54 LYS QG . . 2.690 2.323 2.122 2.800 0.110 11 0 "[ . 1 . 2]" 1
558 1 54 LYS QG 1 56 SER H . . 4.340 3.187 2.471 5.405 1.065 18 1 "[ . 1 . + 2]" 1
559 1 54 LYS QG 1 85 PHE QB . . 3.280 2.953 2.265 3.491 0.211 3 0 "[ . 1 . 2]" 1
560 1 55 ILE H 1 55 ILE HB . . 3.070 2.694 2.590 2.777 . 0 0 "[ . 1 . 2]" 1
561 1 55 ILE H 1 55 ILE QG . . 3.740 2.408 2.193 2.949 . 0 0 "[ . 1 . 2]" 1
562 1 55 ILE H 1 56 SER H . . 3.750 3.678 3.384 4.030 0.280 6 0 "[ . 1 . 2]" 1
563 1 55 ILE H 1 56 SER HA . . 5.020 4.762 4.598 4.949 . 0 0 "[ . 1 . 2]" 1
564 1 55 ILE H 1 85 PHE H . . 3.830 3.943 3.527 4.250 0.420 15 0 "[ . 1 . 2]" 1
565 1 55 ILE H 1 85 PHE QB . . 4.320 3.057 2.803 3.376 . 0 0 "[ . 1 . 2]" 1
566 1 55 ILE H 1 86 VAL H . . 4.640 4.468 4.150 4.769 0.129 8 0 "[ . 1 . 2]" 1
567 1 55 ILE H 1 87 HIS H . . 4.980 4.489 4.096 4.781 . 0 0 "[ . 1 . 2]" 1
568 1 55 ILE HA 1 55 ILE MD . . 4.750 3.897 3.746 3.942 . 0 0 "[ . 1 . 2]" 1
569 1 55 ILE HA 1 55 ILE HG12 . . 3.520 2.713 2.541 3.229 . 0 0 "[ . 1 . 2]" 1
570 1 55 ILE HA 1 55 ILE QG . . 2.850 2.531 2.382 2.608 . 0 0 "[ . 1 . 2]" 1
571 1 55 ILE HA 1 55 ILE HG13 . . 3.520 3.099 2.453 3.298 . 0 0 "[ . 1 . 2]" 1
572 1 55 ILE HA 1 55 ILE MG . . 2.870 2.362 2.294 2.452 . 0 0 "[ . 1 . 2]" 1
573 1 55 ILE HA 1 56 SER H . . 2.790 2.356 2.193 2.505 . 0 0 "[ . 1 . 2]" 1
574 1 55 ILE HA 1 56 SER HA . . 4.800 4.445 4.386 4.528 . 0 0 "[ . 1 . 2]" 1
575 1 55 ILE HA 1 86 VAL HA . . 4.580 4.284 4.164 4.418 . 0 0 "[ . 1 . 2]" 1
576 1 55 ILE HB 1 55 ILE MD . . 3.410 2.393 2.219 2.488 . 0 0 "[ . 1 . 2]" 1
577 1 55 ILE HB 1 56 SER H . . 4.690 4.413 4.378 4.442 . 0 0 "[ . 1 . 2]" 1
578 1 55 ILE HB 1 56 SER HA . . 4.970 4.720 4.633 4.841 . 0 0 "[ . 1 . 2]" 1
579 1 55 ILE HB 1 84 LEU QB . . 4.860 4.054 3.593 4.369 . 0 0 "[ . 1 . 2]" 1
580 1 55 ILE HB 1 86 VAL H . . 4.480 4.212 3.959 4.459 . 0 0 "[ . 1 . 2]" 1
581 1 55 ILE HB 1 86 VAL MG1 . . 5.170 3.947 3.770 4.173 . 0 0 "[ . 1 . 2]" 1
582 1 55 ILE HB 1 86 VAL MG2 . . 4.250 2.499 2.067 2.832 . 0 0 "[ . 1 . 2]" 1
583 1 55 ILE MD 1 78 ILE MG . . 4.270 3.288 2.623 3.822 . 0 0 "[ . 1 . 2]" 1
584 1 55 ILE MD 1 84 LEU QB . . 4.940 2.368 2.042 2.734 . 0 0 "[ . 1 . 2]" 1
585 1 55 ILE MD 1 84 LEU HG . . 4.580 2.934 2.333 3.534 . 0 0 "[ . 1 . 2]" 1
586 1 55 ILE QG 1 84 LEU QB . . 4.610 3.169 2.601 3.903 . 0 0 "[ . 1 . 2]" 1
587 1 55 ILE QG 1 84 LEU HG . . 4.110 4.277 3.733 4.831 0.721 8 2 "[ - + 1 . 2]" 1
588 1 55 ILE QG 1 85 PHE H . . 4.120 4.152 3.724 4.995 0.875 20 1 "[ . 1 . +]" 1
589 1 55 ILE QG 1 86 VAL H . . 5.150 5.069 4.657 5.903 0.753 20 1 "[ . 1 . +]" 1
590 1 55 ILE QG 1 86 VAL HB . . 3.830 3.847 3.555 4.344 0.514 20 1 "[ . 1 . +]" 1
591 1 55 ILE MG 1 56 SER HA . . 4.860 4.110 3.764 4.339 . 0 0 "[ . 1 . 2]" 1
592 1 55 ILE MG 1 57 VAL H . . 4.500 3.928 3.456 4.220 . 0 0 "[ . 1 . 2]" 1
593 1 55 ILE MG 1 86 VAL HA . . 4.320 3.402 3.176 3.565 . 0 0 "[ . 1 . 2]" 1
594 1 55 ILE MG 1 86 VAL HB . . 4.620 3.229 2.877 3.631 . 0 0 "[ . 1 . 2]" 1
595 1 55 ILE MG 1 86 VAL MG2 . . 5.100 2.302 2.113 2.480 . 0 0 "[ . 1 . 2]" 1
596 1 56 SER H 1 56 SER QB . . 3.630 2.625 2.449 2.872 . 0 0 "[ . 1 . 2]" 1
597 1 56 SER H 1 57 VAL H . . 4.470 4.114 3.939 4.270 . 0 0 "[ . 1 . 2]" 1
598 1 56 SER HA 1 56 SER QB . . 2.530 2.305 2.181 2.368 . 0 0 "[ . 1 . 2]" 1
599 1 56 SER HA 1 86 VAL HA . . 3.840 3.875 3.472 4.241 0.401 2 0 "[ . 1 . 2]" 1
600 1 56 SER HA 1 87 HIS H . . 2.530 2.448 2.157 2.805 0.275 16 0 "[ . 1 . 2]" 1
601 1 56 SER HA 1 87 HIS HB2 . . 4.450 3.463 2.782 4.457 0.007 4 0 "[ . 1 . 2]" 1
602 1 56 SER HA 1 87 HIS QB . . 3.680 3.196 2.655 3.768 0.088 4 0 "[ . 1 . 2]" 1
603 1 56 SER HA 1 87 HIS HB3 . . 4.450 3.925 3.045 4.463 0.013 11 0 "[ . 1 . 2]" 1
604 1 56 SER QB 1 57 VAL H . . 4.070 3.592 3.372 3.793 . 0 0 "[ . 1 . 2]" 1
605 1 57 VAL H 1 57 VAL HB . . 2.840 2.617 2.534 2.691 . 0 0 "[ . 1 . 2]" 1
606 1 57 VAL H 1 57 VAL MG2 . . 4.070 2.192 2.044 2.435 . 0 0 "[ . 1 . 2]" 1
607 1 57 VAL H 1 58 HIS H . . 4.470 4.118 3.909 4.269 . 0 0 "[ . 1 . 2]" 1
608 1 57 VAL H 1 58 HIS HD2 . . 4.320 3.908 2.923 4.956 0.636 4 2 "[ +. 1 . -]" 1
609 1 57 VAL H 1 86 VAL MG2 . . 5.210 4.132 3.712 4.660 . 0 0 "[ . 1 . 2]" 1
610 1 57 VAL H 1 87 HIS H . . 3.390 3.334 2.855 3.779 0.389 13 0 "[ . 1 . 2]" 1
611 1 57 VAL H 1 87 HIS HA . . 5.120 4.972 4.819 5.202 0.082 4 0 "[ . 1 . 2]" 1
612 1 57 VAL H 1 87 HIS QB . . 5.090 4.329 3.921 4.878 . 0 0 "[ . 1 . 2]" 1
613 1 57 VAL H 1 88 SER QB . . 4.640 3.965 3.707 4.213 . 0 0 "[ . 1 . 2]" 1
614 1 57 VAL H 1 89 ILE H . . 5.160 4.471 3.965 5.446 0.286 20 0 "[ . 1 . 2]" 1
615 1 57 VAL HA 1 57 VAL MG1 . . 2.780 2.344 2.298 2.382 . 0 0 "[ . 1 . 2]" 1
616 1 57 VAL HA 1 58 HIS H . . 2.510 2.216 2.181 2.279 . 0 0 "[ . 1 . 2]" 1
617 1 57 VAL HA 1 88 SER HA . . 4.810 4.399 4.292 4.674 . 0 0 "[ . 1 . 2]" 1
618 1 57 VAL HB 1 58 HIS H . . 4.730 4.397 4.353 4.431 . 0 0 "[ . 1 . 2]" 1
619 1 57 VAL HB 1 59 VAL MG2 . . 4.700 3.950 3.491 4.595 . 0 0 "[ . 1 . 2]" 1
620 1 57 VAL HB 1 89 ILE H . . 4.460 3.584 3.049 4.432 . 0 0 "[ . 1 . 2]" 1
621 1 57 VAL MG1 1 58 HIS H . . 4.090 3.378 3.244 3.521 . 0 0 "[ . 1 . 2]" 1
622 1 57 VAL MG1 1 59 VAL H . . 5.090 3.471 3.004 3.976 . 0 0 "[ . 1 . 2]" 1
623 1 57 VAL MG1 1 88 SER QB . . 5.030 3.178 2.957 3.733 . 0 0 "[ . 1 . 2]" 1
624 1 58 HIS H 1 58 HIS QB . . 3.640 2.402 2.312 2.502 . 0 0 "[ . 1 . 2]" 1
625 1 58 HIS H 1 58 HIS HD2 . . 3.860 3.525 2.885 4.233 0.373 20 0 "[ . 1 . 2]" 1
626 1 58 HIS H 1 59 VAL H . . 4.360 4.021 3.801 4.283 . 0 0 "[ . 1 . 2]" 1
627 1 58 HIS H 1 59 VAL HA . . 5.250 4.903 4.827 4.981 . 0 0 "[ . 1 . 2]" 1
628 1 58 HIS H 1 89 ILE H . . 5.260 4.947 4.751 5.323 0.063 13 0 "[ . 1 . 2]" 1
629 1 58 HIS HA 1 58 HIS QB . . 2.590 2.420 2.366 2.501 . 0 0 "[ . 1 . 2]" 1
630 1 58 HIS HA 1 59 VAL H . . 2.530 2.212 2.155 2.308 . 0 0 "[ . 1 . 2]" 1
631 1 58 HIS HA 1 88 SER HA . . 4.120 4.244 3.535 4.783 0.663 15 4 "[ * . 1 - +* 2]" 1
632 1 58 HIS HA 1 89 ILE H . . 3.010 3.031 2.714 3.572 0.562 13 1 "[ . 1 + . 2]" 1
633 1 58 HIS HA 1 89 ILE MG . . 4.440 2.567 2.067 3.355 . 0 0 "[ . 1 . 2]" 1
634 1 58 HIS QB 1 59 VAL H . . 4.190 3.710 3.471 3.834 . 0 0 "[ . 1 . 2]" 1
635 1 58 HIS QB 1 89 ILE MG . . 4.770 3.498 2.928 4.537 . 0 0 "[ . 1 . 2]" 1
636 1 58 HIS HD2 1 89 ILE H . . 3.550 3.600 2.871 4.964 1.414 18 4 "[ * 1 - .* + 2]" 1
637 1 59 VAL H 1 59 VAL HB . . 3.900 3.448 2.809 3.706 . 0 0 "[ . 1 . 2]" 1
638 1 59 VAL H 1 59 VAL MG2 . . 2.320 1.912 1.745 2.154 . 0 0 "[ . 1 . 2]" 1
639 1 59 VAL H 1 60 LYS H . . 4.150 4.043 3.640 4.551 0.401 7 0 "[ . 1 . 2]" 1
640 1 59 VAL H 1 89 ILE H . . 3.350 3.377 2.914 3.903 0.553 16 1 "[ . 1 .+ 2]" 1
641 1 59 VAL H 1 90 ASP HA . . 3.830 3.279 2.572 4.074 0.244 18 0 "[ . 1 . 2]" 1
642 1 59 VAL HA 1 60 LYS H . . 2.610 2.263 2.131 2.444 . 0 0 "[ . 1 . 2]" 1
643 1 59 VAL HA 1 61 LEU HG . . 4.200 4.131 3.235 5.702 1.502 19 4 "[ . - 1 . *+*]" 1
644 1 59 VAL HB 1 61 LEU MD1 . . 2.560 2.584 1.946 3.387 0.827 13 6 "[ . ** 1 *+-.* 2]" 1
645 1 59 VAL HB 1 61 LEU HG . . 3.290 3.296 2.195 5.072 1.782 19 3 "[ . 1 . *+-]" 1
646 1 59 VAL HB 1 90 ASP HA . . 4.320 3.632 2.867 4.423 0.103 14 0 "[ . 1 . 2]" 1
647 1 59 VAL HB 1 90 ASP QB . . 4.150 3.440 2.302 4.987 0.837 18 1 "[ . 1 . + 2]" 1
648 1 59 VAL MG2 1 88 SER HA . . 4.910 4.575 4.268 5.217 0.307 14 0 "[ . 1 . 2]" 1
649 1 59 VAL MG2 1 90 ASP QB . . 4.350 2.408 1.938 3.724 . 0 0 "[ . 1 . 2]" 1
650 1 60 LYS H 1 60 LYS QB . . 3.610 2.399 2.127 2.668 . 0 0 "[ . 1 . 2]" 1
651 1 60 LYS H 1 61 LEU H . . 4.030 3.505 2.816 4.066 0.036 12 0 "[ . 1 . 2]" 1
652 1 60 LYS H 1 61 LEU HG . . 4.540 4.126 3.211 5.473 0.933 18 1 "[ . 1 . + 2]" 1
653 1 60 LYS HA 1 60 LYS QB . . 2.490 2.425 2.265 2.542 0.052 8 0 "[ . 1 . 2]" 1
654 1 60 LYS HA 1 61 LEU H . . 2.730 2.478 2.208 2.860 0.130 16 0 "[ . 1 . 2]" 1
655 1 60 LYS HA 1 61 LEU HG . . 4.840 4.748 4.044 6.003 1.163 19 3 "[ . 1 . *+-]" 1
656 1 60 LYS HA 1 62 GLY H . . 5.030 4.023 3.068 4.829 . 0 0 "[ . 1 . 2]" 1
657 1 60 LYS HA 1 90 ASP QB . . 4.720 4.884 4.249 5.638 0.918 19 4 "[ * 1 -. *+2]" 1
658 1 60 LYS QB 1 60 LYS QE . . 3.480 2.823 1.971 3.715 0.235 16 0 "[ . 1 . 2]" 1
659 1 60 LYS QE 1 89 ILE MG . . 4.470 4.180 2.713 5.433 0.963 19 4 "[ . 1 -.* *+2]" 1
660 1 61 LEU H 1 61 LEU MD1 . . 4.180 3.109 2.356 3.841 . 0 0 "[ . 1 . 2]" 1
661 1 61 LEU H 1 61 LEU HG . . 2.790 2.685 2.154 3.746 0.956 18 3 "[ . 1 . +*-]" 1
662 1 61 LEU H 1 62 GLY H . . 3.270 2.623 2.189 2.972 . 0 0 "[ . 1 . 2]" 1
663 1 61 LEU H 1 90 ASP QB . . 4.020 4.221 3.701 5.276 1.256 19 5 "[ ** 1 - *+2]" 1
664 1 61 LEU H 1 91 SER H . . 3.540 3.416 2.396 4.250 0.710 16 1 "[ . 1 .+ 2]" 1
665 1 61 LEU HA 1 61 LEU QB . . 2.530 2.373 2.285 2.476 . 0 0 "[ . 1 . 2]" 1
666 1 61 LEU QB 1 64 ARG HA . . 5.150 4.236 3.292 5.137 . 0 0 "[ . 1 . 2]" 1
667 1 61 LEU MD1 1 66 LEU QB . . 4.410 3.215 1.967 5.155 0.745 19 3 "[ . 1 . -+*]" 1
668 1 61 LEU HG 1 62 GLY H . . 4.550 4.388 3.999 4.799 0.249 15 0 "[ . 1 . 2]" 1
669 1 62 GLY H 1 63 ASN H . . 4.190 4.095 3.084 4.588 0.398 15 0 "[ . 1 . 2]" 1
670 1 62 GLY H 1 63 ASN HA . . 5.110 5.261 4.642 5.673 0.563 13 5 "[ **-. 1 + * 2]" 1
671 1 62 GLY H 1 64 ARG H . . 3.450 3.764 3.149 4.495 1.045 13 8 "[ ***. - 1 +*** 2]" 1
672 1 62 GLY QA 1 63 ASN H . . 2.420 2.164 2.074 2.334 . 0 0 "[ . 1 . 2]" 1
673 1 62 GLY QA 1 64 ARG H . . 4.030 3.640 3.312 4.029 . 0 0 "[ . 1 . 2]" 1
674 1 63 ASN H 1 63 ASN QB . . 3.030 2.767 2.533 3.337 0.307 18 0 "[ . 1 . 2]" 1
675 1 63 ASN H 1 63 ASN QD . . 4.680 3.720 2.203 4.360 . 0 0 "[ . 1 . 2]" 1
676 1 63 ASN H 1 64 ARG H . . 3.040 2.936 2.182 3.539 0.499 13 0 "[ . 1 . 2]" 1
677 1 63 ASN HA 1 63 ASN HB2 . . 2.770 2.492 2.392 3.023 0.253 18 0 "[ . 1 . 2]" 1
678 1 63 ASN HA 1 63 ASN HB3 . . 2.770 2.444 2.336 2.518 . 0 0 "[ . 1 . 2]" 1
679 1 63 ASN HA 1 64 ARG H . . 3.280 2.860 2.499 3.183 . 0 0 "[ . 1 . 2]" 1
680 1 63 ASN HA 1 64 ARG HA . . 5.010 4.674 4.533 4.810 . 0 0 "[ . 1 . 2]" 1
681 1 63 ASN HA 1 92 GLU HA . . 4.320 4.364 2.964 5.086 0.766 3 6 "[ + *** 1 * -]" 1
682 1 63 ASN HA 1 93 VAL H . . 4.870 4.520 3.376 5.575 0.705 5 1 "[ + 1 . 2]" 1
683 1 63 ASN HA 1 93 VAL MG1 . . 4.320 3.543 2.435 4.605 0.285 18 0 "[ . 1 . 2]" 1
684 1 63 ASN QB 1 63 ASN QD . . 2.400 2.150 2.115 2.197 . 0 0 "[ . 1 . 2]" 1
685 1 63 ASN QB 1 64 ARG HA . . 5.150 4.738 4.390 4.999 . 0 0 "[ . 1 . 2]" 1
686 1 63 ASN QB 1 93 VAL HB . . 4.900 4.586 2.333 5.608 0.708 5 2 "[ + 1 . - 2]" 1
687 1 63 ASN QB 1 93 VAL MG1 . . 4.540 3.433 2.365 4.525 . 0 0 "[ . 1 . 2]" 1
688 1 63 ASN HB2 1 63 ASN HD22 . . 4.090 3.624 3.462 4.047 . 0 0 "[ . 1 . 2]" 1
689 1 63 ASN HB3 1 63 ASN HD22 . . 4.090 3.761 3.463 4.051 . 0 0 "[ . 1 . 2]" 1
690 1 64 ARG H 1 64 ARG QG . . 4.560 3.233 2.022 4.010 . 0 0 "[ . 1 . 2]" 1
691 1 64 ARG H 1 65 PHE H . . 2.750 2.449 2.155 2.646 . 0 0 "[ . 1 . 2]" 1
692 1 64 ARG H 1 66 LEU H . . 5.170 4.855 4.120 5.639 0.469 3 0 "[ . 1 . 2]" 1
693 1 64 ARG HA 1 65 PHE QB . . 5.070 4.116 3.901 4.287 . 0 0 "[ . 1 . 2]" 1
694 1 64 ARG QG 1 65 PHE QB . . 4.880 4.397 3.953 4.933 0.053 1 0 "[ . 1 . 2]" 1
695 1 65 PHE H 1 65 PHE HA . . 2.570 2.263 2.252 2.278 . 0 0 "[ . 1 . 2]" 1
696 1 65 PHE H 1 66 LEU H . . 3.230 3.004 2.648 3.346 0.116 12 0 "[ . 1 . 2]" 1
697 1 65 PHE HA 1 66 LEU H . . 2.790 2.501 2.238 3.107 0.317 20 0 "[ . 1 . 2]" 1
698 1 65 PHE HA 1 66 LEU HA . . 4.900 4.522 4.408 4.664 . 0 0 "[ . 1 . 2]" 1
699 1 65 PHE QB 1 65 PHE HD2 . . 2.550 2.301 2.257 2.370 . 0 0 "[ . 1 . 2]" 1
700 1 66 LEU H 1 66 LEU QB . . 2.840 2.295 2.200 2.476 . 0 0 "[ . 1 . 2]" 1
701 1 66 LEU H 1 66 LEU HG . . 4.820 4.484 4.348 4.574 . 0 0 "[ . 1 . 2]" 1
702 1 66 LEU H 1 67 TYR H . . 4.920 4.549 4.405 4.622 . 0 0 "[ . 1 . 2]" 1
703 1 66 LEU HA 1 66 LEU QD . . 4.000 2.184 1.993 2.740 . 0 0 "[ . 1 . 2]" 1
704 1 66 LEU HA 1 66 LEU HG . . 3.340 2.923 2.385 3.183 . 0 0 "[ . 1 . 2]" 1
705 1 66 LEU HA 1 67 TYR H . . 2.640 2.302 2.164 2.721 0.081 18 0 "[ . 1 . 2]" 1
706 1 66 LEU HA 1 67 TYR HA . . 4.600 4.325 4.292 4.376 . 0 0 "[ . 1 . 2]" 1
707 1 66 LEU QB 1 66 LEU HG . . 2.570 2.409 2.348 2.532 . 0 0 "[ . 1 . 2]" 1
708 1 66 LEU QB 1 67 TYR H . . 3.880 3.402 2.234 3.760 . 0 0 "[ . 1 . 2]" 1
709 1 66 LEU QB 1 68 LYS H . . 4.660 4.330 3.758 5.357 0.697 8 2 "[ . -+ 1 . 2]" 1
710 1 66 LEU QD 1 67 TYR H . . 3.650 2.409 1.717 3.156 . 0 0 "[ . 1 . 2]" 1
711 1 66 LEU QD 1 67 TYR QD . . 4.890 3.352 2.644 4.371 . 0 0 "[ . 1 . 2]" 1
712 1 66 LEU HG 1 67 TYR H . . 2.450 2.313 1.889 2.937 0.487 2 0 "[ . 1 . 2]" 1
713 1 66 LEU HG 1 68 LYS H . . 4.830 4.461 3.382 5.841 1.011 18 3 "[ . 1 * . + -]" 1
714 1 66 LEU HG 1 70 GLN QB . . 4.910 4.615 3.386 5.998 1.088 18 1 "[ . 1 . + 2]" 1
715 1 66 LEU HG 1 71 GLU QG . . 4.510 4.199 2.963 5.945 1.435 19 4 "[ * - 1 . *+2]" 1
716 1 67 TYR H 1 67 TYR QB . . 3.570 2.441 2.154 2.920 . 0 0 "[ . 1 . 2]" 1
717 1 67 TYR H 1 67 TYR QD . . 2.370 2.428 2.068 2.868 0.498 20 0 "[ . 1 . 2]" 1
718 1 67 TYR H 1 67 TYR QE . . 4.800 4.340 3.737 5.022 0.222 14 0 "[ . 1 . 2]" 1
719 1 67 TYR H 1 70 GLN QB . . 4.640 4.471 3.841 5.183 0.543 14 1 "[ . 1 +. 2]" 1
720 1 67 TYR HA 1 67 TYR QB . . 2.620 2.369 2.160 2.501 . 0 0 "[ . 1 . 2]" 1
721 1 67 TYR HA 1 67 TYR QD . . 3.500 3.018 2.506 3.717 0.217 18 0 "[ . 1 . 2]" 1
722 1 67 TYR HA 1 68 LYS H . . 2.530 2.264 2.139 2.409 . 0 0 "[ . 1 . 2]" 1
723 1 67 TYR HA 1 68 LYS HA . . 4.820 4.513 4.388 4.623 . 0 0 "[ . 1 . 2]" 1
724 1 67 TYR HA 1 70 GLN QB . . 4.650 4.828 4.361 5.398 0.748 5 5 "[ * *+ - 1 *. 2]" 1
725 1 67 TYR QB 1 69 GLU H . . 4.220 3.441 2.838 3.898 . 0 0 "[ . 1 . 2]" 1
726 1 67 TYR QB 1 70 GLN H . . 2.900 2.780 2.523 3.274 0.374 5 0 "[ . 1 . 2]" 1
727 1 67 TYR QB 1 70 GLN HA . . 4.680 4.520 3.972 4.939 0.259 5 0 "[ . 1 . 2]" 1
728 1 67 TYR QB 1 70 GLN QG . . 2.710 2.561 2.108 4.451 1.741 19 3 "[ . 1 - +*]" 1
729 1 68 LYS H 1 68 LYS QB . . 2.980 2.249 2.049 2.502 . 0 0 "[ . 1 . 2]" 1
730 1 68 LYS H 1 68 LYS QG . . 4.630 3.333 2.314 4.019 . 0 0 "[ . 1 . 2]" 1
731 1 68 LYS H 1 69 GLU H . . 3.110 2.728 2.478 2.878 . 0 0 "[ . 1 . 2]" 1
732 1 68 LYS HA 1 68 LYS QD . . 4.690 3.475 2.091 4.276 . 0 0 "[ . 1 . 2]" 1
733 1 68 LYS HA 1 68 LYS QG . . 3.590 2.747 2.123 3.453 . 0 0 "[ . 1 . 2]" 1
734 1 68 LYS HA 1 70 GLN H . . 4.490 3.953 3.601 4.400 . 0 0 "[ . 1 . 2]" 1
735 1 68 LYS HA 1 70 GLN QB . . 5.150 4.616 4.213 5.198 0.048 15 0 "[ . 1 . 2]" 1
736 1 68 LYS HA 1 71 GLU H . . 3.840 3.309 3.109 3.742 . 0 0 "[ . 1 . 2]" 1
737 1 68 LYS HA 1 71 GLU QB . . 3.540 3.070 2.607 4.350 0.810 19 1 "[ . 1 . +2]" 1
738 1 68 LYS HA 1 71 GLU QG . . 4.740 3.426 2.275 4.656 . 0 0 "[ . 1 . 2]" 1
739 1 68 LYS HA 1 72 GLU H . . 4.370 4.072 3.812 4.710 0.340 19 0 "[ . 1 . 2]" 1
740 1 68 LYS HA 1 72 GLU QB . . 5.000 4.710 4.284 6.010 1.010 20 1 "[ . 1 . +]" 1
741 1 68 LYS QB 1 68 LYS QE . . 3.550 2.878 1.883 3.823 0.273 19 0 "[ . 1 . 2]" 1
742 1 68 LYS QB 1 68 LYS QG . . 2.370 2.040 2.004 2.095 . 0 0 "[ . 1 . 2]" 1
743 1 68 LYS QB 1 69 GLU HA . . 4.220 4.181 3.741 4.704 0.484 2 0 "[ . 1 . 2]" 1
744 1 68 LYS QD 1 68 LYS QE . . 2.310 2.054 1.980 2.098 . 0 0 "[ . 1 . 2]" 1
745 1 68 LYS QD 1 72 GLU QB . . 3.650 3.334 2.150 5.401 1.751 19 4 "[ *. 1 *- . +2]" 1
746 1 68 LYS QE 1 69 GLU HA . . 3.660 4.195 2.401 6.378 2.718 18 11 "[ ***. *- 1 ** * +**]" 1
747 1 68 LYS QG 1 69 GLU H . . 5.070 3.588 2.197 4.656 . 0 0 "[ . 1 . 2]" 1
748 1 69 GLU H 1 69 GLU QB . . 3.540 2.375 2.103 2.665 . 0 0 "[ . 1 . 2]" 1
749 1 69 GLU H 1 69 GLU QG . . 4.050 2.915 2.110 4.037 . 0 0 "[ . 1 . 2]" 1
750 1 69 GLU H 1 70 GLN H . . 3.110 2.655 2.517 2.807 . 0 0 "[ . 1 . 2]" 1
751 1 69 GLU H 1 70 GLN QB . . 4.920 4.540 4.370 4.876 . 0 0 "[ . 1 . 2]" 1
752 1 69 GLU H 1 72 GLU QB . . 4.880 4.513 4.231 5.033 0.153 18 0 "[ . 1 . 2]" 1
753 1 69 GLU HA 1 69 GLU QG . . 2.730 2.648 2.336 3.188 0.458 14 0 "[ . 1 . 2]" 1
754 1 69 GLU HA 1 71 GLU H . . 4.920 4.399 3.997 4.744 . 0 0 "[ . 1 . 2]" 1
755 1 69 GLU HA 1 72 GLU H . . 3.830 3.402 3.068 3.703 . 0 0 "[ . 1 . 2]" 1
756 1 69 GLU HA 1 72 GLU QB . . 2.630 2.450 2.164 2.913 0.283 14 0 "[ . 1 . 2]" 1
757 1 69 GLU HA 1 73 GLN H . . 4.130 3.931 3.667 4.527 0.397 12 0 "[ . 1 . 2]" 1
758 1 69 GLU HA 1 73 GLN QB . . 5.120 4.868 4.561 5.432 0.312 12 0 "[ . 1 . 2]" 1
759 1 69 GLU QB 1 70 GLN H . . 3.660 2.782 2.483 3.031 . 0 0 "[ . 1 . 2]" 1
760 1 69 GLU QB 1 70 GLN HA . . 4.310 3.934 3.806 4.102 . 0 0 "[ . 1 . 2]" 1
761 1 69 GLU QB 1 70 GLN QG . . 4.600 3.744 3.033 5.663 1.063 20 2 "[ . 1 . -+]" 1
762 1 69 GLU QB 1 73 GLN QB . . 4.770 4.576 4.057 5.305 0.535 12 1 "[ . 1 + . 2]" 1
763 1 70 GLN H 1 70 GLN QB . . 2.480 2.267 2.134 2.489 0.009 14 0 "[ . 1 . 2]" 1
764 1 70 GLN H 1 71 GLU H . . 2.980 2.561 2.437 2.721 . 0 0 "[ . 1 . 2]" 1
765 1 70 GLN H 1 71 GLU QB . . 5.150 4.635 4.346 5.014 . 0 0 "[ . 1 . 2]" 1
766 1 70 GLN H 1 72 GLU H . . 4.160 3.883 3.620 4.247 0.087 18 0 "[ . 1 . 2]" 1
767 1 70 GLN H 1 72 GLU QB . . 4.950 4.649 4.330 5.159 0.209 18 0 "[ . 1 . 2]" 1
768 1 70 GLN HA 1 71 GLU HA . . 4.980 4.714 4.644 4.797 . 0 0 "[ . 1 . 2]" 1
769 1 70 GLN HA 1 72 GLU H . . 4.660 4.423 4.200 4.653 . 0 0 "[ . 1 . 2]" 1
770 1 70 GLN HA 1 73 GLN H . . 4.050 3.733 3.454 3.961 . 0 0 "[ . 1 . 2]" 1
771 1 70 GLN HA 1 73 GLN QB . . 4.320 3.839 3.278 4.183 . 0 0 "[ . 1 . 2]" 1
772 1 70 GLN HA 1 73 GLN QE . . 4.600 3.130 2.362 4.162 . 0 0 "[ . 1 . 2]" 1
773 1 70 GLN HA 1 73 GLN QG . . 2.970 2.488 2.086 3.265 0.295 12 0 "[ . 1 . 2]" 1
774 1 70 GLN QB 1 70 GLN QE . . 2.900 2.461 1.681 2.812 . 0 0 "[ . 1 . 2]" 1
775 1 70 GLN QB 1 70 GLN QG . . 2.310 2.032 1.994 2.092 . 0 0 "[ . 1 . 2]" 1
776 1 70 GLN QB 1 71 GLU H . . 2.970 2.612 2.268 2.875 . 0 0 "[ . 1 . 2]" 1
777 1 70 GLN QB 1 71 GLU HA . . 4.060 3.911 3.785 4.358 0.298 20 0 "[ . 1 . 2]" 1
778 1 70 GLN QB 1 72 GLU H . . 5.030 4.593 4.344 4.861 . 0 0 "[ . 1 . 2]" 1
779 1 70 GLN QB 1 73 GLN QG . . 4.580 3.957 3.640 4.356 . 0 0 "[ . 1 . 2]" 1
780 1 71 GLU H 1 71 GLU QB . . 2.800 2.466 2.138 2.714 . 0 0 "[ . 1 . 2]" 1
781 1 71 GLU H 1 72 GLU H . . 2.750 2.459 2.268 2.718 . 0 0 "[ . 1 . 2]" 1
782 1 71 GLU H 1 72 GLU HB2 . . 5.240 4.556 4.251 4.938 . 0 0 "[ . 1 . 2]" 1
783 1 71 GLU H 1 72 GLU QB . . 4.480 4.206 4.009 4.632 0.152 18 0 "[ . 1 . 2]" 1
784 1 71 GLU H 1 72 GLU HB3 . . 5.240 5.031 4.477 6.218 0.978 18 2 "[ . 1 . + -]" 1
785 1 71 GLU H 1 73 GLN H . . 4.600 4.212 3.786 4.444 . 0 0 "[ . 1 . 2]" 1
786 1 71 GLU H 1 73 GLN QG . . 4.660 4.383 4.163 4.887 0.227 12 0 "[ . 1 . 2]" 1
787 1 71 GLU H 1 74 LEU HG . . 5.300 5.177 4.810 5.614 0.314 18 0 "[ . 1 . 2]" 1
788 1 71 GLU HA 1 71 GLU QB . . 2.540 2.358 2.268 2.495 . 0 0 "[ . 1 . 2]" 1
789 1 71 GLU HA 1 71 GLU QG . . 3.640 2.699 2.291 3.144 . 0 0 "[ . 1 . 2]" 1
790 1 71 GLU HA 1 74 LEU H . . 3.900 3.649 3.412 3.921 0.021 18 0 "[ . 1 . 2]" 1
791 1 71 GLU HA 1 74 LEU MD1 . . 4.880 3.566 3.046 4.075 . 0 0 "[ . 1 . 2]" 1
792 1 71 GLU HA 1 75 THR H . . 4.510 4.270 3.944 4.653 0.143 15 0 "[ . 1 . 2]" 1
793 1 71 GLU QB 1 72 GLU H . . 3.060 2.622 2.352 2.810 . 0 0 "[ . 1 . 2]" 1
794 1 71 GLU QB 1 72 GLU HA . . 4.160 3.850 3.752 3.952 . 0 0 "[ . 1 . 2]" 1
795 1 71 GLU QB 1 74 LEU HG . . 4.070 3.928 3.512 4.542 0.472 2 0 "[ . 1 . 2]" 1
796 1 71 GLU HB2 1 72 GLU HA . . 4.880 4.258 3.942 5.390 0.510 2 1 "[ + . 1 . 2]" 1
797 1 71 GLU HB3 1 72 GLU HA . . 4.880 4.496 3.850 4.781 . 0 0 "[ . 1 . 2]" 1
798 1 72 GLU H 1 72 GLU QB . . 2.660 2.206 2.054 2.524 . 0 0 "[ . 1 . 2]" 1
799 1 72 GLU H 1 72 GLU QG . . 4.650 3.764 2.007 4.055 . 0 0 "[ . 1 . 2]" 1
800 1 72 GLU H 1 73 GLN H . . 3.040 2.760 2.550 2.878 . 0 0 "[ . 1 . 2]" 1
801 1 72 GLU H 1 74 LEU H . . 4.440 4.215 4.120 4.336 . 0 0 "[ . 1 . 2]" 1
802 1 72 GLU HA 1 72 GLU QB . . 2.510 2.421 2.301 2.529 0.019 19 0 "[ . 1 . 2]" 1
803 1 72 GLU HA 1 72 GLU QG . . 2.810 2.423 2.190 2.837 0.027 18 0 "[ . 1 . 2]" 1
804 1 72 GLU HA 1 74 LEU H . . 4.540 4.240 4.042 4.531 . 0 0 "[ . 1 . 2]" 1
805 1 72 GLU HA 1 75 THR H . . 3.670 3.362 3.107 3.581 . 0 0 "[ . 1 . 2]" 1
806 1 72 GLU HA 1 75 THR MG . . 5.140 3.839 1.962 4.230 . 0 0 "[ . 1 . 2]" 1
807 1 72 GLU HA 1 76 GLU H . . 4.280 4.089 3.844 4.251 . 0 0 "[ . 1 . 2]" 1
808 1 72 GLU QB 1 73 GLN H . . 2.830 2.497 2.275 2.718 . 0 0 "[ . 1 . 2]" 1
809 1 72 GLU QB 1 73 GLN HA . . 4.570 3.914 3.693 4.229 . 0 0 "[ . 1 . 2]" 1
810 1 72 GLU QB 1 73 GLN QB . . 4.540 3.958 3.749 4.218 . 0 0 "[ . 1 . 2]" 1
811 1 72 GLU QB 1 74 LEU H . . 5.160 4.659 4.537 4.793 . 0 0 "[ . 1 . 2]" 1
812 1 72 GLU QG 1 73 GLN HA . . 4.600 4.230 3.387 5.781 1.181 18 3 "[ . 1 . +-*]" 1
813 1 72 GLU QG 1 76 GLU HA . . 4.870 5.160 4.445 7.446 2.576 18 4 "[ . 1 *. +-*]" 1
814 1 73 GLN H 1 73 GLN QB . . 2.870 2.455 2.298 2.585 . 0 0 "[ . 1 . 2]" 1
815 1 73 GLN H 1 73 GLN QE . . 4.440 4.498 4.023 5.108 0.668 4 2 "[ +. 1 - . 2]" 1
816 1 73 GLN H 1 73 GLN QG . . 2.410 2.297 2.078 2.560 0.150 12 0 "[ . 1 . 2]" 1
817 1 73 GLN H 1 74 LEU H . . 3.110 2.783 2.713 2.845 . 0 0 "[ . 1 . 2]" 1
818 1 73 GLN H 1 75 THR H . . 4.460 4.098 3.882 4.223 . 0 0 "[ . 1 . 2]" 1
819 1 73 GLN H 1 76 GLU H . . 5.000 4.817 4.696 4.938 . 0 0 "[ . 1 . 2]" 1
820 1 73 GLN HA 1 73 GLN HB2 . . 2.790 2.415 2.330 2.491 . 0 0 "[ . 1 . 2]" 1
821 1 73 GLN HA 1 73 GLN QB . . 2.440 2.171 2.166 2.177 . 0 0 "[ . 1 . 2]" 1
822 1 73 GLN HA 1 73 GLN HB3 . . 2.790 2.471 2.389 2.573 . 0 0 "[ . 1 . 2]" 1
823 1 73 GLN HA 1 73 GLN QG . . 3.590 3.366 3.319 3.444 . 0 0 "[ . 1 . 2]" 1
824 1 73 GLN HA 1 74 LEU HA . . 4.910 4.614 4.558 4.689 . 0 0 "[ . 1 . 2]" 1
825 1 73 GLN HA 1 76 GLU H . . 3.830 3.643 3.374 3.938 0.108 12 0 "[ . 1 . 2]" 1
826 1 73 GLN HA 1 76 GLU QB . . 3.100 3.062 2.632 3.440 0.340 16 0 "[ . 1 . 2]" 1
827 1 73 GLN HA 1 76 GLU QG . . 2.670 2.859 2.214 4.849 2.179 18 3 "[ . 1 - *. + 2]" 1
828 1 73 GLN QB 1 73 GLN QE . . 4.010 3.543 3.465 3.670 . 0 0 "[ . 1 . 2]" 1
829 1 73 GLN QB 1 74 LEU H . . 3.830 3.566 3.487 3.694 . 0 0 "[ . 1 . 2]" 1
830 1 73 GLN QB 1 76 GLU QB . . 4.630 4.370 4.044 4.673 0.043 16 0 "[ . 1 . 2]" 1
831 1 73 GLN QB 1 76 GLU QG . . 4.180 4.341 3.727 5.944 1.764 18 3 "[ . 1 - *. + 2]" 1
832 1 73 GLN HB2 1 74 LEU H . . 4.470 3.968 3.831 4.131 . 0 0 "[ . 1 . 2]" 1
833 1 73 GLN HB3 1 74 LEU H . . 4.470 4.054 3.863 4.242 . 0 0 "[ . 1 . 2]" 1
834 1 73 GLN QE 1 73 GLN QG . . 2.430 2.147 2.101 2.172 . 0 0 "[ . 1 . 2]" 1
835 1 73 GLN QE 1 74 LEU H . . 4.360 3.797 2.836 4.549 0.189 7 0 "[ . 1 . 2]" 1
836 1 73 GLN QG 1 74 LEU H . . 2.580 2.322 2.175 2.572 . 0 0 "[ . 1 . 2]" 1
837 1 73 GLN QG 1 74 LEU HA . . 4.660 3.766 3.208 4.500 . 0 0 "[ . 1 . 2]" 1
838 1 74 LEU H 1 74 LEU QB . . 2.920 2.619 2.398 2.744 . 0 0 "[ . 1 . 2]" 1
839 1 74 LEU H 1 74 LEU MD1 . . 4.470 3.815 3.669 4.083 . 0 0 "[ . 1 . 2]" 1
840 1 74 LEU H 1 74 LEU HG . . 2.560 2.332 2.143 2.741 0.181 18 0 "[ . 1 . 2]" 1
841 1 74 LEU H 1 75 THR H . . 2.660 2.325 2.185 2.457 . 0 0 "[ . 1 . 2]" 1
842 1 74 LEU HA 1 74 LEU HB2 . . 2.760 2.391 2.318 2.447 . 0 0 "[ . 1 . 2]" 1
843 1 74 LEU HA 1 74 LEU HB3 . . 2.760 2.478 2.419 2.582 . 0 0 "[ . 1 . 2]" 1
844 1 74 LEU HA 1 74 LEU MD1 . . 4.280 3.669 3.534 3.761 . 0 0 "[ . 1 . 2]" 1
845 1 74 LEU HA 1 75 THR HA . . 5.030 4.743 4.666 4.785 . 0 0 "[ . 1 . 2]" 1
846 1 74 LEU HA 1 77 LEU QB . . 4.490 3.942 3.423 4.446 . 0 0 "[ . 1 . 2]" 1
847 1 74 LEU HA 1 77 LEU QD . . 4.150 2.417 2.074 3.274 . 0 0 "[ . 1 . 2]" 1
848 1 74 LEU QB 1 74 LEU MD1 . . 2.880 2.130 2.096 2.161 . 0 0 "[ . 1 . 2]" 1
849 1 74 LEU HB2 1 75 THR H . . 4.320 4.010 3.899 4.101 . 0 0 "[ . 1 . 2]" 1
850 1 74 LEU HB3 1 75 THR H . . 4.320 4.006 3.821 4.172 . 0 0 "[ . 1 . 2]" 1
851 1 74 LEU MD1 1 75 THR H . . 3.310 3.037 2.782 3.321 0.011 18 0 "[ . 1 . 2]" 1
852 1 74 LEU MD1 1 75 THR HA . . 3.080 2.775 2.494 2.969 . 0 0 "[ . 1 . 2]" 1
853 1 74 LEU MD1 1 76 GLU H . . 5.230 4.752 4.567 4.953 . 0 0 "[ . 1 . 2]" 1
854 1 74 LEU HG 1 75 THR HA . . 4.500 4.009 3.518 4.371 . 0 0 "[ . 1 . 2]" 1
855 1 75 THR H 1 75 THR MG . . 4.760 3.700 2.252 3.792 . 0 0 "[ . 1 . 2]" 1
856 1 75 THR H 1 76 GLU H . . 2.740 2.502 2.327 2.576 . 0 0 "[ . 1 . 2]" 1
857 1 75 THR H 1 77 LEU H . . 4.700 4.308 4.144 4.509 . 0 0 "[ . 1 . 2]" 1
858 1 75 THR HA 1 75 THR MG . . 3.410 2.421 2.327 3.203 . 0 0 "[ . 1 . 2]" 1
859 1 75 THR HA 1 76 GLU HA . . 5.250 4.888 4.823 4.946 . 0 0 "[ . 1 . 2]" 1
860 1 75 THR HA 1 77 LEU H . . 4.230 3.847 3.653 4.047 . 0 0 "[ . 1 . 2]" 1
861 1 75 THR HA 1 78 ILE H . . 3.740 3.399 3.270 3.534 . 0 0 "[ . 1 . 2]" 1
862 1 75 THR HA 1 79 ALA H . . 4.410 4.256 4.030 4.621 0.211 20 0 "[ . 1 . 2]" 1
863 1 75 THR MG 1 76 GLU H . . 4.390 3.714 2.614 3.973 . 0 0 "[ . 1 . 2]" 1
864 1 75 THR MG 1 76 GLU HA . . 4.350 3.782 3.225 4.078 . 0 0 "[ . 1 . 2]" 1
865 1 75 THR MG 1 78 ILE HB . . 4.260 3.340 2.751 4.954 0.694 20 1 "[ . 1 . +]" 1
866 1 75 THR MG 1 78 ILE MD . . 4.980 3.322 2.747 6.285 1.305 20 1 "[ . 1 . +]" 1
867 1 75 THR MG 1 79 ALA H . . 3.730 3.423 3.029 4.404 0.674 20 1 "[ . 1 . +]" 1
868 1 75 THR MG 1 79 ALA HA . . 4.360 3.917 3.434 4.497 0.137 20 0 "[ . 1 . 2]" 1
869 1 75 THR MG 1 79 ALA MB . . 2.650 2.546 2.107 3.047 0.397 19 0 "[ . 1 . 2]" 1
870 1 76 GLU H 1 76 GLU QB . . 2.570 2.285 2.103 2.434 . 0 0 "[ . 1 . 2]" 1
871 1 76 GLU H 1 77 LEU H . . 3.170 2.779 2.675 2.919 . 0 0 "[ . 1 . 2]" 1
872 1 76 GLU H 1 77 LEU QB . . 5.010 4.619 4.470 4.815 . 0 0 "[ . 1 . 2]" 1
873 1 76 GLU H 1 77 LEU QD . . 4.520 3.765 3.563 3.961 . 0 0 "[ . 1 . 2]" 1
874 1 76 GLU H 1 79 ALA H . . 4.870 4.540 4.467 4.629 . 0 0 "[ . 1 . 2]" 1
875 1 76 GLU H 1 79 ALA MB . . 4.880 4.045 3.782 4.194 . 0 0 "[ . 1 . 2]" 1
876 1 76 GLU HA 1 76 GLU QB . . 2.640 2.449 2.386 2.525 . 0 0 "[ . 1 . 2]" 1
877 1 76 GLU HA 1 76 GLU QG . . 3.640 2.563 2.212 2.910 . 0 0 "[ . 1 . 2]" 1
878 1 76 GLU HA 1 77 LEU HA . . 5.120 4.804 4.735 4.870 . 0 0 "[ . 1 . 2]" 1
879 1 76 GLU HA 1 77 LEU QD . . 5.240 4.611 4.534 4.789 . 0 0 "[ . 1 . 2]" 1
880 1 76 GLU HA 1 79 ALA H . . 3.690 3.128 2.889 3.409 . 0 0 "[ . 1 . 2]" 1
881 1 76 GLU HA 1 79 ALA MB . . 3.300 2.060 1.859 2.256 . 0 0 "[ . 1 . 2]" 1
882 1 76 GLU HA 1 80 SER H . . 4.630 4.267 3.542 4.703 0.073 20 0 "[ . 1 . 2]" 1
883 1 76 GLU QB 1 77 LEU H . . 2.980 2.832 2.667 3.053 0.073 12 0 "[ . 1 . 2]" 1
884 1 76 GLU QB 1 77 LEU QD . . 3.130 2.847 2.694 3.022 . 0 0 "[ . 1 . 2]" 1
885 1 76 GLU HB2 1 77 LEU H . . 3.760 3.023 2.749 3.848 0.088 18 0 "[ . 1 . 2]" 1
886 1 76 GLU HB2 1 77 LEU QD . . 3.880 3.079 2.789 4.295 0.415 18 0 "[ . 1 . 2]" 1
887 1 76 GLU HB3 1 77 LEU H . . 3.760 3.572 2.792 3.907 0.147 13 0 "[ . 1 . 2]" 1
888 1 76 GLU HB3 1 77 LEU QD . . 3.880 3.557 2.889 3.994 0.114 15 0 "[ . 1 . 2]" 1
889 1 77 LEU H 1 77 LEU QB . . 2.540 2.218 2.147 2.280 . 0 0 "[ . 1 . 2]" 1
890 1 77 LEU H 1 77 LEU QD . . 2.450 2.191 2.039 2.462 0.012 19 0 "[ . 1 . 2]" 1
891 1 77 LEU H 1 78 ILE H . . 3.090 2.621 2.438 2.793 . 0 0 "[ . 1 . 2]" 1
892 1 77 LEU H 1 79 ALA H . . 4.140 3.777 3.623 3.930 . 0 0 "[ . 1 . 2]" 1
893 1 77 LEU HA 1 77 LEU QB . . 2.640 2.471 2.442 2.502 . 0 0 "[ . 1 . 2]" 1
894 1 77 LEU HA 1 77 LEU QD . . 3.150 2.613 1.879 2.930 . 0 0 "[ . 1 . 2]" 1
895 1 77 LEU HA 1 78 ILE HA . . 5.000 4.634 4.588 4.702 . 0 0 "[ . 1 . 2]" 1
896 1 77 LEU HA 1 79 ALA H . . 4.750 4.390 4.019 4.647 . 0 0 "[ . 1 . 2]" 1
897 1 77 LEU HA 1 80 SER H . . 4.360 4.235 3.968 4.548 0.188 20 0 "[ . 1 . 2]" 1
898 1 77 LEU QB 1 77 LEU HG . . 2.600 2.395 2.167 2.481 . 0 0 "[ . 1 . 2]" 1
899 1 77 LEU QB 1 78 ILE H . . 2.760 2.695 2.397 2.992 0.232 19 0 "[ . 1 . 2]" 1
900 1 77 LEU QB 1 78 ILE HA . . 4.780 3.931 3.798 4.034 . 0 0 "[ . 1 . 2]" 1
901 1 77 LEU QB 1 78 ILE HB . . 5.040 4.682 4.525 4.907 . 0 0 "[ . 1 . 2]" 1
902 1 77 LEU QB 1 78 ILE MD . . 3.390 2.981 2.451 4.066 0.676 19 2 "[ . 1 . -+2]" 1
903 1 77 LEU QB 1 78 ILE QG . . 3.520 2.974 2.660 3.333 . 0 0 "[ . 1 . 2]" 1
904 1 77 LEU QB 1 79 ALA H . . 4.850 4.481 4.351 4.717 . 0 0 "[ . 1 . 2]" 1
905 1 77 LEU QD 1 78 ILE H . . 4.890 3.893 3.749 4.049 . 0 0 "[ . 1 . 2]" 1
906 1 77 LEU HG 1 78 ILE H . . 5.240 5.078 4.936 5.461 0.221 19 0 "[ . 1 . 2]" 1
907 1 78 ILE H 1 78 ILE MD . . 2.500 2.400 1.874 3.545 1.045 18 5 "[ * . - 1 . +**]" 1
908 1 78 ILE H 1 78 ILE QG . . 2.730 2.551 2.096 3.040 0.310 7 0 "[ . 1 . 2]" 1
909 1 78 ILE H 1 79 ALA H . . 2.750 2.219 2.023 2.444 . 0 0 "[ . 1 . 2]" 1
910 1 78 ILE H 1 80 SER H . . 4.430 4.069 3.896 4.311 . 0 0 "[ . 1 . 2]" 1
911 1 78 ILE HA 1 78 ILE MD . . 4.470 3.654 2.321 3.962 . 0 0 "[ . 1 . 2]" 1
912 1 78 ILE HA 1 78 ILE QG . . 2.770 2.498 2.320 3.103 0.333 20 0 "[ . 1 . 2]" 1
913 1 78 ILE HA 1 80 SER H . . 4.110 3.837 3.562 4.068 . 0 0 "[ . 1 . 2]" 1
914 1 78 ILE HA 1 81 LYS H . . 3.890 3.614 3.425 3.828 . 0 0 "[ . 1 . 2]" 1
915 1 78 ILE HA 1 81 LYS QE . . 4.030 3.414 2.601 4.856 0.826 19 1 "[ . 1 . +2]" 1
916 1 78 ILE HB 1 79 ALA H . . 3.150 2.992 2.795 3.437 0.287 20 0 "[ . 1 . 2]" 1
917 1 78 ILE HB 1 79 ALA HA . . 4.460 4.167 4.089 4.248 . 0 0 "[ . 1 . 2]" 1
918 1 78 ILE HB 1 80 SER H . . 5.290 5.096 4.926 5.314 0.024 14 0 "[ . 1 . 2]" 1
919 1 78 ILE HB 1 82 LYS QB . . 4.810 4.525 3.947 5.229 0.419 15 0 "[ . 1 . 2]" 1
920 1 78 ILE MD 1 79 ALA H . . 4.290 3.907 3.487 4.607 0.317 19 0 "[ . 1 . 2]" 1
921 1 78 ILE QG 1 79 ALA H . . 4.610 4.175 3.840 4.387 . 0 0 "[ . 1 . 2]" 1
922 1 79 ALA H 1 79 ALA MB . . 2.790 2.215 2.134 2.241 . 0 0 "[ . 1 . 2]" 1
923 1 79 ALA H 1 80 SER H . . 3.000 2.696 2.612 2.789 . 0 0 "[ . 1 . 2]" 1
924 1 79 ALA H 1 81 LYS H . . 4.610 4.158 4.012 4.377 . 0 0 "[ . 1 . 2]" 1
925 1 79 ALA H 1 82 LYS QB . . 4.700 4.458 4.097 4.807 0.107 20 0 "[ . 1 . 2]" 1
926 1 79 ALA HA 1 81 LYS H . . 4.210 3.681 3.521 3.921 . 0 0 "[ . 1 . 2]" 1
927 1 79 ALA HA 1 82 LYS H . . 3.750 3.531 3.420 3.752 0.002 6 0 "[ . 1 . 2]" 1
928 1 79 ALA HA 1 82 LYS HA . . 4.400 4.177 3.805 4.502 0.102 20 0 "[ . 1 . 2]" 1
929 1 79 ALA HA 1 82 LYS QB . . 2.470 2.191 2.050 2.407 . 0 0 "[ . 1 . 2]" 1
930 1 79 ALA HA 1 82 LYS QD . . 2.630 2.914 2.186 4.175 1.545 18 6 "[ - 1 **. +**]" 1
931 1 79 ALA HA 1 82 LYS QE . . 4.070 3.608 1.837 4.885 0.815 13 2 "[ .- 1 + . 2]" 1
932 1 79 ALA HA 1 82 LYS QG . . 4.400 3.053 2.455 3.996 . 0 0 "[ . 1 . 2]" 1
933 1 79 ALA MB 1 80 SER H . . 4.400 2.825 2.680 2.997 . 0 0 "[ . 1 . 2]" 1
934 1 79 ALA MB 1 82 LYS QB . . 4.600 3.680 3.462 3.874 . 0 0 "[ . 1 . 2]" 1
935 1 79 ALA MB 1 82 LYS QD . . 3.880 3.318 2.758 4.259 0.379 18 0 "[ . 1 . 2]" 1
936 1 79 ALA MB 1 82 LYS QE . . 5.120 3.346 2.183 4.353 . 0 0 "[ . 1 . 2]" 1
937 1 80 SER H 1 80 SER QB . . 3.580 2.681 2.401 2.912 . 0 0 "[ . 1 . 2]" 1
938 1 80 SER H 1 81 LYS H . . 2.870 2.555 2.427 2.685 . 0 0 "[ . 1 . 2]" 1
939 1 80 SER H 1 81 LYS QG . . 5.080 3.791 3.431 4.616 . 0 0 "[ . 1 . 2]" 1
940 1 80 SER H 1 82 LYS H . . 4.690 4.486 4.326 4.710 0.020 4 0 "[ . 1 . 2]" 1
941 1 80 SER HA 1 82 LYS H . . 4.710 4.387 4.053 4.756 0.046 3 0 "[ . 1 . 2]" 1
942 1 81 LYS H 1 81 LYS QB . . 3.510 3.226 3.043 3.306 . 0 0 "[ . 1 . 2]" 1
943 1 81 LYS H 1 81 LYS QD . . 4.920 4.141 2.305 4.466 . 0 0 "[ . 1 . 2]" 1
944 1 81 LYS H 1 81 LYS QG . . 3.080 2.351 2.154 2.728 . 0 0 "[ . 1 . 2]" 1
945 1 81 LYS H 1 82 LYS H . . 2.980 2.562 2.293 2.828 . 0 0 "[ . 1 . 2]" 1
946 1 81 LYS H 1 82 LYS HA . . 4.440 4.104 3.993 4.359 . 0 0 "[ . 1 . 2]" 1
947 1 81 LYS HA 1 81 LYS HB2 . . 2.860 2.553 2.496 2.616 . 0 0 "[ . 1 . 2]" 1
948 1 81 LYS HA 1 81 LYS QB . . 2.440 2.180 2.173 2.185 . 0 0 "[ . 1 . 2]" 1
949 1 81 LYS HA 1 81 LYS HB3 . . 2.860 2.368 2.333 2.410 . 0 0 "[ . 1 . 2]" 1
950 1 81 LYS HA 1 81 LYS QD . . 4.890 4.258 3.646 4.496 . 0 0 "[ . 1 . 2]" 1
951 1 81 LYS HA 1 81 LYS QG . . 3.720 3.345 3.300 3.479 . 0 0 "[ . 1 . 2]" 1
952 1 81 LYS HA 1 82 LYS H . . 2.950 2.692 2.508 2.808 . 0 0 "[ . 1 . 2]" 1
953 1 81 LYS HA 1 82 LYS HA . . 4.910 4.616 4.559 4.665 . 0 0 "[ . 1 . 2]" 1
954 1 81 LYS HA 1 83 ASP QB . . 4.990 4.325 3.772 5.014 0.024 11 0 "[ . 1 . 2]" 1
955 1 81 LYS QB 1 81 LYS QD . . 2.590 2.182 2.080 2.410 . 0 0 "[ . 1 . 2]" 1
956 1 81 LYS QB 1 81 LYS QG . . 2.330 2.086 2.024 2.098 . 0 0 "[ . 1 . 2]" 1
957 1 81 LYS QB 1 82 LYS H . . 4.270 4.008 3.953 4.043 . 0 0 "[ . 1 . 2]" 1
958 1 81 LYS QB 1 83 ASP H . . 4.340 3.807 3.589 4.191 . 0 0 "[ . 1 . 2]" 1
959 1 81 LYS QB 1 83 ASP QB . . 4.320 3.962 3.830 4.207 . 0 0 "[ . 1 . 2]" 1
960 1 81 LYS HB2 1 82 LYS H . . 4.920 4.389 4.317 4.446 . 0 0 "[ . 1 . 2]" 1
961 1 81 LYS HB3 1 82 LYS H . . 4.920 4.632 4.587 4.656 . 0 0 "[ . 1 . 2]" 1
962 1 81 LYS QG 1 82 LYS H . . 4.620 4.014 3.877 4.262 . 0 0 "[ . 1 . 2]" 1
963 1 81 LYS QG 1 83 ASP H . . 4.740 4.390 4.061 4.649 . 0 0 "[ . 1 . 2]" 1
964 1 82 LYS H 1 82 LYS QB . . 3.080 2.661 2.119 2.781 . 0 0 "[ . 1 . 2]" 1
965 1 82 LYS H 1 82 LYS QD . . 4.240 3.875 2.519 4.718 0.478 20 0 "[ . 1 . 2]" 1
966 1 82 LYS H 1 82 LYS QE . . 4.390 4.186 3.626 4.678 0.288 15 0 "[ . 1 . 2]" 1
967 1 82 LYS H 1 82 LYS QG . . 3.060 2.133 1.781 3.480 0.420 20 0 "[ . 1 . 2]" 1
968 1 82 LYS H 1 83 ASP H . . 4.220 3.629 3.286 4.057 . 0 0 "[ . 1 . 2]" 1
969 1 82 LYS HA 1 83 ASP HB2 . . 5.180 5.021 4.613 5.308 0.128 5 0 "[ . 1 . 2]" 1
970 1 82 LYS HA 1 83 ASP QB . . 4.550 4.436 4.174 4.615 0.065 8 0 "[ . 1 . 2]" 1
971 1 82 LYS HA 1 83 ASP HB3 . . 5.180 4.987 4.570 5.553 0.373 7 0 "[ . 1 . 2]" 1
972 1 82 LYS QB 1 82 LYS QE . . 4.380 3.260 2.131 3.670 . 0 0 "[ . 1 . 2]" 1
973 1 82 LYS QB 1 86 VAL MG1 . . 3.830 2.232 1.984 2.850 . 0 0 "[ . 1 . 2]" 1
974 1 82 LYS QD 1 82 LYS QE . . 2.320 2.058 1.999 2.099 . 0 0 "[ . 1 . 2]" 1
975 1 82 LYS QD 1 86 VAL MG1 . . 4.070 3.084 1.920 3.732 . 0 0 "[ . 1 . 2]" 1
976 1 82 LYS QE 1 82 LYS QG . . 3.070 2.239 2.128 2.344 . 0 0 "[ . 1 . 2]" 1
977 1 82 LYS QG 1 83 ASP H . . 4.970 4.227 4.017 4.440 . 0 0 "[ . 1 . 2]" 1
978 1 82 LYS QG 1 83 ASP HA . . 4.910 4.341 4.035 5.505 0.595 20 1 "[ . 1 . +]" 1
979 1 82 LYS QG 1 86 VAL MG1 . . 5.140 3.755 2.288 4.388 . 0 0 "[ . 1 . 2]" 1
980 1 83 ASP H 1 83 ASP QB . . 2.730 2.268 2.146 2.329 . 0 0 "[ . 1 . 2]" 1
981 1 83 ASP H 1 84 LEU H . . 2.580 2.317 2.177 2.573 . 0 0 "[ . 1 . 2]" 1
982 1 83 ASP HA 1 83 ASP QB . . 2.570 2.395 2.297 2.536 . 0 0 "[ . 1 . 2]" 1
983 1 83 ASP HA 1 84 LEU H . . 3.560 3.345 3.024 3.477 . 0 0 "[ . 1 . 2]" 1
984 1 83 ASP QB 1 84 LEU H . . 3.680 3.086 2.708 3.636 . 0 0 "[ . 1 . 2]" 1
985 1 84 LEU H 1 84 LEU QB . . 3.630 2.538 2.411 2.637 . 0 0 "[ . 1 . 2]" 1
986 1 84 LEU H 1 84 LEU MD1 . . 3.000 2.662 2.401 3.119 0.119 8 0 "[ . 1 . 2]" 1
987 1 84 LEU H 1 85 PHE H . . 4.830 4.567 4.484 4.617 . 0 0 "[ . 1 . 2]" 1
988 1 84 LEU H 1 86 VAL H . . 4.720 4.698 4.252 5.388 0.668 6 1 "[ .+ 1 . 2]" 1
989 1 84 LEU HA 1 84 LEU MD1 . . 2.750 2.133 2.010 2.269 . 0 0 "[ . 1 . 2]" 1
990 1 84 LEU HA 1 85 PHE H . . 2.810 2.498 2.304 2.608 . 0 0 "[ . 1 . 2]" 1
991 1 84 LEU QB 1 85 PHE H . . 2.640 2.285 2.103 2.644 0.004 6 0 "[ . 1 . 2]" 1
992 1 84 LEU QB 1 86 VAL H . . 4.720 3.681 3.237 4.061 . 0 0 "[ . 1 . 2]" 1
993 1 84 LEU MD1 1 85 PHE H . . 5.040 3.777 3.496 4.005 . 0 0 "[ . 1 . 2]" 1
994 1 84 LEU HG 1 85 PHE H . . 4.950 4.559 4.346 4.840 . 0 0 "[ . 1 . 2]" 1
995 1 85 PHE H 1 85 PHE QB . . 3.620 2.482 2.318 2.594 . 0 0 "[ . 1 . 2]" 1
996 1 85 PHE H 1 85 PHE QD . . 2.640 2.706 2.333 3.131 0.491 19 0 "[ . 1 . 2]" 1
997 1 85 PHE H 1 85 PHE QE . . 4.680 4.397 4.048 4.755 0.075 18 0 "[ . 1 . 2]" 1
998 1 85 PHE H 1 86 VAL H . . 3.990 3.765 3.573 4.018 0.028 6 0 "[ . 1 . 2]" 1
999 1 85 PHE H 1 86 VAL HB . . 5.240 5.066 4.921 5.289 0.049 13 0 "[ . 1 . 2]" 1
1000 1 85 PHE HA 1 85 PHE QB . . 2.550 2.349 2.292 2.427 . 0 0 "[ . 1 . 2]" 1
1001 1 85 PHE HA 1 85 PHE QD . . 4.420 2.642 2.306 3.001 . 0 0 "[ . 1 . 2]" 1
1002 1 85 PHE HA 1 86 VAL H . . 2.750 2.387 2.245 2.501 . 0 0 "[ . 1 . 2]" 1
1003 1 85 PHE QB 1 86 VAL HA . . 5.080 4.356 4.283 4.406 . 0 0 "[ . 1 . 2]" 1
1004 1 86 VAL H 1 86 VAL HB . . 3.260 2.939 2.778 3.108 . 0 0 "[ . 1 . 2]" 1
1005 1 86 VAL H 1 86 VAL MG1 . . 3.230 1.994 1.890 2.113 . 0 0 "[ . 1 . 2]" 1
1006 1 86 VAL H 1 86 VAL MG2 . . 4.680 3.816 3.787 3.872 . 0 0 "[ . 1 . 2]" 1
1007 1 86 VAL H 1 87 HIS H . . 4.720 4.471 4.391 4.547 . 0 0 "[ . 1 . 2]" 1
1008 1 86 VAL H 1 87 HIS HD2 . . 5.080 5.018 3.974 7.912 2.832 20 3 "[ . 1 - *+]" 1
1009 1 86 VAL HA 1 86 VAL HB . . 2.710 2.422 2.384 2.484 . 0 0 "[ . 1 . 2]" 1
1010 1 86 VAL HA 1 86 VAL MG2 . . 3.390 2.408 2.301 2.470 . 0 0 "[ . 1 . 2]" 1
1011 1 86 VAL HA 1 87 HIS H . . 2.430 2.169 2.128 2.208 . 0 0 "[ . 1 . 2]" 1
1012 1 86 VAL HA 1 87 HIS HA . . 4.700 4.429 4.392 4.468 . 0 0 "[ . 1 . 2]" 1
1013 1 86 VAL HB 1 87 HIS H . . 4.490 4.124 4.027 4.225 . 0 0 "[ . 1 . 2]" 1
1014 1 86 VAL MG1 1 86 VAL MG2 . . 2.920 2.083 2.066 2.094 . 0 0 "[ . 1 . 2]" 1
1015 1 86 VAL MG1 1 87 HIS HA . . 4.560 3.952 3.681 4.149 . 0 0 "[ . 1 . 2]" 1
1016 1 86 VAL MG2 1 87 HIS H . . 3.380 2.563 2.290 2.866 . 0 0 "[ . 1 . 2]" 1
1017 1 86 VAL MG2 1 88 SER H . . 4.670 3.533 2.982 4.125 . 0 0 "[ . 1 . 2]" 1
1018 1 87 HIS H 1 87 HIS QB . . 3.630 2.769 2.663 2.885 . 0 0 "[ . 1 . 2]" 1
1019 1 87 HIS H 1 87 HIS HD2 . . 5.260 4.712 3.834 5.395 0.135 19 0 "[ . 1 . 2]" 1
1020 1 87 HIS H 1 88 SER H . . 4.380 3.778 3.401 4.089 . 0 0 "[ . 1 . 2]" 1
1021 1 87 HIS H 1 88 SER HA . . 4.870 4.463 4.305 4.581 . 0 0 "[ . 1 . 2]" 1
1022 1 87 HIS HA 1 88 SER H . . 2.430 2.178 2.133 2.273 . 0 0 "[ . 1 . 2]" 1
1023 1 87 HIS QB 1 88 SER H . . 3.730 3.675 3.304 3.842 0.112 3 0 "[ . 1 . 2]" 1
1024 1 87 HIS QB 1 89 ILE HB . . 5.110 4.832 4.478 5.647 0.537 20 1 "[ . 1 . +]" 1
1025 1 88 SER H 1 88 SER QB . . 3.690 2.657 2.470 2.983 . 0 0 "[ . 1 . 2]" 1
1026 1 88 SER H 1 89 ILE H . . 4.750 4.482 4.370 4.559 . 0 0 "[ . 1 . 2]" 1
1027 1 88 SER HA 1 88 SER QB . . 2.530 2.287 2.171 2.395 . 0 0 "[ . 1 . 2]" 1
1028 1 88 SER HA 1 89 ILE H . . 2.500 2.222 2.163 2.318 . 0 0 "[ . 1 . 2]" 1
1029 1 88 SER HA 1 89 ILE HA . . 4.730 4.447 4.394 4.523 . 0 0 "[ . 1 . 2]" 1
1030 1 88 SER QB 1 89 ILE H . . 3.280 3.061 2.646 3.533 0.253 20 0 "[ . 1 . 2]" 1
1031 1 88 SER QB 1 89 ILE HA . . 4.730 4.038 3.888 4.330 . 0 0 "[ . 1 . 2]" 1
1032 1 89 ILE H 1 89 ILE HB . . 3.720 3.400 3.177 3.544 . 0 0 "[ . 1 . 2]" 1
1033 1 89 ILE H 1 89 ILE HG12 . . 5.090 4.596 4.345 5.184 0.094 8 0 "[ . 1 . 2]" 1
1034 1 89 ILE H 1 89 ILE QG . . 4.370 4.151 4.029 4.286 . 0 0 "[ . 1 . 2]" 1
1035 1 89 ILE H 1 89 ILE HG13 . . 5.090 4.747 4.569 4.830 . 0 0 "[ . 1 . 2]" 1
1036 1 89 ILE H 1 89 ILE MG . . 4.320 2.493 2.270 2.745 . 0 0 "[ . 1 . 2]" 1
1037 1 89 ILE H 1 90 ASP H . . 4.560 4.206 3.948 4.335 . 0 0 "[ . 1 . 2]" 1
1038 1 89 ILE H 1 90 ASP HA . . 4.910 4.660 4.507 4.761 . 0 0 "[ . 1 . 2]" 1
1039 1 89 ILE HA 1 89 ILE HB . . 2.720 2.455 2.369 2.559 . 0 0 "[ . 1 . 2]" 1
1040 1 89 ILE HA 1 89 ILE HG12 . . 3.450 3.166 2.925 3.743 0.293 8 0 "[ . 1 . 2]" 1
1041 1 89 ILE HA 1 89 ILE QG . . 2.720 2.380 2.205 2.781 0.061 8 0 "[ . 1 . 2]" 1
1042 1 89 ILE HA 1 89 ILE HG13 . . 3.450 2.463 2.263 2.867 . 0 0 "[ . 1 . 2]" 1
1043 1 89 ILE HB 1 89 ILE MD . . 3.450 2.397 2.298 2.483 . 0 0 "[ . 1 . 2]" 1
1044 1 89 ILE QG 1 89 ILE MG . . 3.230 2.293 2.031 2.373 . 0 0 "[ . 1 . 2]" 1
1045 1 89 ILE QG 1 90 ASP HA . . 5.090 3.790 3.467 4.063 . 0 0 "[ . 1 . 2]" 1
1046 1 89 ILE HG12 1 90 ASP H . . 3.130 2.903 2.183 3.838 0.708 8 1 "[ . + 1 . 2]" 1
1047 1 89 ILE HG13 1 90 ASP H . . 3.130 2.728 2.189 3.143 0.013 15 0 "[ . 1 . 2]" 1
1048 1 90 ASP H 1 90 ASP QB . . 2.920 2.730 2.466 3.033 0.113 16 0 "[ . 1 . 2]" 1
1049 1 90 ASP H 1 91 SER H . . 4.690 4.388 4.084 4.516 . 0 0 "[ . 1 . 2]" 1
1050 1 90 ASP H 1 91 SER HA . . 5.190 4.894 4.703 5.125 . 0 0 "[ . 1 . 2]" 1
1051 1 90 ASP H 1 92 GLU H . . 5.050 4.657 3.864 5.398 0.348 12 0 "[ . 1 . 2]" 1
1052 1 90 ASP HA 1 90 ASP QB . . 2.440 2.237 2.169 2.402 . 0 0 "[ . 1 . 2]" 1
1053 1 90 ASP HA 1 91 SER H . . 3.050 2.617 2.245 3.108 0.058 3 0 "[ . 1 . 2]" 1
1054 1 90 ASP HA 1 91 SER HA . . 4.760 4.438 4.289 4.587 . 0 0 "[ . 1 . 2]" 1
1055 1 90 ASP QB 1 91 SER H . . 2.630 2.493 2.040 3.448 0.818 14 5 "[ . ** 1 +. -*]" 1
1056 1 90 ASP QB 1 92 GLU H . . 4.330 3.723 2.601 4.978 0.648 12 2 "[ - . 1 + . 2]" 1
1057 1 91 SER H 1 92 GLU H . . 3.350 3.156 2.351 4.133 0.783 19 3 "[ . 1 - .* +2]" 1
1058 1 91 SER HA 1 91 SER QB . . 2.550 2.310 2.168 2.501 . 0 0 "[ . 1 . 2]" 1
1059 1 91 SER HA 1 92 GLU H . . 2.900 2.615 2.188 2.898 . 0 0 "[ . 1 . 2]" 1
1060 1 91 SER HA 1 92 GLU HA . . 4.920 4.613 4.381 4.770 . 0 0 "[ . 1 . 2]" 1
1061 1 92 GLU H 1 92 GLU QB . . 3.010 2.655 2.408 3.156 0.146 12 0 "[ . 1 . 2]" 1
1062 1 92 GLU H 1 92 GLU QG . . 2.350 2.177 1.688 2.880 0.530 3 1 "[ + . 1 . 2]" 1
1063 1 92 GLU HA 1 92 GLU HB2 . . 2.840 2.554 2.333 2.988 0.148 9 0 "[ . 1 . 2]" 1
1064 1 92 GLU HA 1 92 GLU QB . . 2.440 2.185 2.151 2.269 . 0 0 "[ . 1 . 2]" 1
1065 1 92 GLU HA 1 92 GLU HB3 . . 2.840 2.405 2.236 2.605 . 0 0 "[ . 1 . 2]" 1
1066 1 92 GLU HA 1 93 VAL H . . 2.770 2.372 2.144 2.712 . 0 0 "[ . 1 . 2]" 1
1067 1 92 GLU HA 1 93 VAL HA . . 4.720 4.402 4.340 4.487 . 0 0 "[ . 1 . 2]" 1
1068 1 92 GLU HA 1 93 VAL HB . . 4.560 4.457 4.214 4.849 0.289 3 0 "[ . 1 . 2]" 1
1069 1 92 GLU HA 1 93 VAL MG1 . . 4.360 3.744 3.445 4.131 . 0 0 "[ . 1 . 2]" 1
1070 1 92 GLU QG 1 93 VAL HA . . 4.930 4.611 3.569 5.925 0.995 18 3 "[ . *1 . +-2]" 1
1071 1 93 VAL H 1 93 VAL HB . . 3.330 2.983 2.467 3.344 0.014 12 0 "[ . 1 . 2]" 1
1072 1 93 VAL HA 1 93 VAL HB . . 2.790 2.444 2.369 2.539 . 0 0 "[ . 1 . 2]" 1
1073 1 93 VAL HA 1 93 VAL MG2 . . 3.270 2.394 2.284 2.489 . 0 0 "[ . 1 . 2]" 1
1074 1 96 LYS HA 1 97 LYS H . . 2.550 2.310 2.143 2.558 0.008 12 0 "[ . 1 . 2]" 1
1075 1 96 LYS HA 1 97 LYS HA . . 4.750 4.398 4.303 4.499 . 0 0 "[ . 1 . 2]" 1
1076 1 97 LYS H 1 97 LYS QD . . 5.120 4.564 3.849 5.146 0.026 4 0 "[ . 1 . 2]" 1
1077 1 97 LYS H 1 99 ALA H . . 5.170 5.036 3.802 6.598 1.428 20 3 "[ . 1 - *+]" 1
1078 1 97 LYS HA 1 97 LYS HB2 . . 2.790 2.464 2.378 2.514 . 0 0 "[ . 1 . 2]" 1
1079 1 97 LYS HA 1 97 LYS HB3 . . 2.790 2.817 2.381 3.029 0.239 4 0 "[ . 1 . 2]" 1
1080 1 97 LYS HA 1 97 LYS QE . . 4.670 4.084 2.155 5.373 0.703 20 1 "[ . 1 . +]" 1
1081 1 97 LYS HA 1 97 LYS QG . . 3.730 2.844 2.356 3.366 . 0 0 "[ . 1 . 2]" 1
1082 1 97 LYS HA 1 98 GLU H . . 2.430 2.252 2.128 2.667 0.237 19 0 "[ . 1 . 2]" 1
1083 1 97 LYS QB 1 97 LYS QD . . 3.300 2.286 2.082 2.752 . 0 0 "[ . 1 . 2]" 1
1084 1 97 LYS QB 1 97 LYS QE . . 2.270 2.234 1.963 3.534 1.264 20 1 "[ . 1 . +]" 1
1085 1 97 LYS QB 1 97 LYS QG . . 2.320 2.075 2.007 2.096 . 0 0 "[ . 1 . 2]" 1
1086 1 97 LYS QB 1 98 GLU H . . 3.520 3.306 2.131 3.970 0.450 5 0 "[ . 1 . 2]" 1
1087 1 97 LYS QB 1 99 ALA MB . . 5.020 3.866 2.954 4.916 . 0 0 "[ . 1 . 2]" 1
1088 1 97 LYS QD 1 99 ALA MB . . 4.880 3.388 2.150 4.275 . 0 0 "[ . 1 . 2]" 1
1089 1 97 LYS QE 1 97 LYS QG . . 3.070 2.467 2.080 2.802 . 0 0 "[ . 1 . 2]" 1
1090 1 97 LYS QG 1 98 GLU H . . 4.670 3.008 2.121 4.215 . 0 0 "[ . 1 . 2]" 1
1091 1 97 LYS QG 1 98 GLU HA . . 5.060 4.243 3.840 4.667 . 0 0 "[ . 1 . 2]" 1
1092 1 97 LYS QG 1 99 ALA H . . 4.200 3.473 2.229 4.716 0.516 15 1 "[ . 1 + 2]" 1
1093 1 97 LYS QG 1 99 ALA HA . . 4.750 4.032 3.447 5.015 0.265 18 0 "[ . 1 . 2]" 1
1094 1 98 GLU H 1 98 GLU QB . . 2.730 2.421 2.096 2.968 0.238 3 0 "[ . 1 . 2]" 1
1095 1 98 GLU H 1 99 ALA H . . 4.460 3.887 3.119 4.550 0.090 15 0 "[ . 1 . 2]" 1
1096 1 98 GLU HA 1 98 GLU QB . . 2.560 2.378 2.161 2.527 . 0 0 "[ . 1 . 2]" 1
1097 1 98 GLU HA 1 98 GLU QG . . 2.700 2.548 2.157 3.313 0.613 3 1 "[ + . 1 . 2]" 1
1098 1 98 GLU HA 1 99 ALA H . . 2.510 2.369 2.138 2.879 0.369 12 0 "[ . 1 . 2]" 1
1099 1 98 GLU HA 1 99 ALA HA . . 4.750 4.482 4.391 4.623 . 0 0 "[ . 1 . 2]" 1
1100 1 98 GLU HA 1 99 ALA MB . . 5.060 4.230 3.933 4.636 . 0 0 "[ . 1 . 2]" 1
1101 1 98 GLU HA 1 100 GLN H . . 4.660 4.356 3.054 5.190 0.530 20 1 "[ . 1 . +]" 1
1102 1 98 GLU HA 1 100 GLN QB . . 5.070 4.879 3.947 6.512 1.442 20 3 "[ . 1 .- *+]" 1
1103 1 98 GLU QB 1 99 ALA H . . 3.980 3.733 3.130 3.972 . 0 0 "[ . 1 . 2]" 1
1104 1 98 GLU QB 1 100 GLN H . . 4.380 3.814 3.072 4.478 0.098 5 0 "[ . 1 . 2]" 1
1105 1 98 GLU HB2 1 99 ALA H . . 4.760 4.417 4.137 4.602 . 0 0 "[ . 1 . 2]" 1
1106 1 98 GLU HB3 1 99 ALA H . . 4.760 4.081 3.218 4.632 . 0 0 "[ . 1 . 2]" 1
1107 1 98 GLU QG 1 99 ALA H . . 4.820 4.428 3.301 4.671 . 0 0 "[ . 1 . 2]" 1
1108 1 99 ALA H 1 99 ALA MB . . 2.980 2.344 2.259 2.707 . 0 0 "[ . 1 . 2]" 1
1109 1 99 ALA HA 1 100 GLN H . . 2.760 2.473 2.203 3.285 0.525 4 1 "[ +. 1 . 2]" 1
1110 1 100 GLN H 1 100 GLN QB . . 2.800 2.341 2.141 2.632 . 0 0 "[ . 1 . 2]" 1
1111 1 100 GLN H 1 100 GLN QG . . 4.680 3.802 2.497 4.199 . 0 0 "[ . 1 . 2]" 1
1112 1 100 GLN HA 1 100 GLN QB . . 2.610 2.390 2.318 2.515 . 0 0 "[ . 1 . 2]" 1
1113 1 100 GLN HA 1 100 GLN QG . . 3.000 2.603 2.336 3.046 0.046 8 0 "[ . 1 . 2]" 1
1114 1 100 GLN HA 1 101 GLN HA . . 4.620 4.357 4.320 4.420 . 0 0 "[ . 1 . 2]" 1
1115 1 100 GLN QB 1 100 GLN QG . . 2.350 2.050 1.993 2.093 . 0 0 "[ . 1 . 2]" 1
1116 1 100 GLN QB 1 102 ILE HB . . 4.270 4.039 3.245 4.664 0.394 8 0 "[ . 1 . 2]" 1
1117 1 100 GLN QB 1 102 ILE MG . . 4.270 2.693 2.082 3.369 . 0 0 "[ . 1 . 2]" 1
1118 1 100 GLN QE 1 100 GLN QG . . 2.920 2.191 2.134 2.599 . 0 0 "[ . 1 . 2]" 1
1119 1 100 GLN QG 1 101 GLN QB . . 4.230 4.409 3.478 5.954 1.724 20 6 "[ . *- 1 * . **+]" 1
1120 1 101 GLN HA 1 101 GLN HE21 . . 4.260 3.548 2.230 4.904 0.644 16 1 "[ . 1 .+ 2]" 1
1121 1 101 GLN HA 1 101 GLN QE . . 3.720 3.225 2.203 4.321 0.601 16 1 "[ . 1 .+ 2]" 1
1122 1 101 GLN HA 1 101 GLN HE22 . . 4.260 3.824 3.106 4.801 0.541 16 1 "[ . 1 .+ 2]" 1
1123 1 101 GLN HA 1 102 ILE H . . 2.600 2.289 2.158 2.497 . 0 0 "[ . 1 . 2]" 1
1124 1 101 GLN HA 1 102 ILE HA . . 4.650 4.370 4.324 4.475 . 0 0 "[ . 1 . 2]" 1
1125 1 101 GLN QB 1 101 GLN QG . . 2.330 2.008 1.965 2.029 . 0 0 "[ . 1 . 2]" 1
1126 1 101 GLN QB 1 102 ILE HA . . 4.820 4.556 4.429 4.660 . 0 0 "[ . 1 . 2]" 1
1127 1 101 GLN QE 1 103 ARG QB . . 4.430 3.995 2.470 5.122 0.692 16 2 "[ . 1 - .+ 2]" 1
1128 1 101 GLN QG 1 102 ILE HA . . 4.500 4.115 3.429 4.631 0.131 13 0 "[ . 1 . 2]" 1
1129 1 101 GLN QG 1 103 ARG QB . . 4.670 4.690 3.964 5.350 0.680 8 2 "[ -. + 1 . 2]" 1
1130 1 102 ILE H 1 102 ILE HB . . 3.710 3.290 2.898 3.440 . 0 0 "[ . 1 . 2]" 1
1131 1 102 ILE H 1 103 ARG H . . 4.270 4.206 3.734 4.497 0.227 13 0 "[ . 1 . 2]" 1
1132 1 102 ILE H 1 103 ARG HA . . 4.900 4.860 4.602 5.255 0.355 13 0 "[ . 1 . 2]" 1
1133 1 102 ILE HA 1 102 ILE HB . . 2.670 2.400 2.344 2.466 . 0 0 "[ . 1 . 2]" 1
1134 1 102 ILE HA 1 102 ILE MD . . 4.490 2.999 2.138 3.905 . 0 0 "[ . 1 . 2]" 1
1135 1 102 ILE HA 1 102 ILE QG . . 2.760 2.667 2.344 2.971 0.211 2 0 "[ . 1 . 2]" 1
1136 1 102 ILE HA 1 103 ARG H . . 2.440 2.172 2.130 2.251 . 0 0 "[ . 1 . 2]" 1
1137 1 102 ILE HA 1 103 ARG HA . . 4.700 4.400 4.351 4.460 . 0 0 "[ . 1 . 2]" 1
1138 1 102 ILE HA 1 103 ARG QB . . 4.420 4.160 3.931 4.395 . 0 0 "[ . 1 . 2]" 1
1139 1 102 ILE HB 1 102 ILE MD . . 2.830 2.353 2.254 2.483 . 0 0 "[ . 1 . 2]" 1
1140 1 102 ILE HB 1 102 ILE QG . . 2.600 2.408 2.337 2.454 . 0 0 "[ . 1 . 2]" 1
1141 1 102 ILE QG 1 102 ILE MG . . 2.770 2.206 2.091 2.392 . 0 0 "[ . 1 . 2]" 1
1142 1 102 ILE QG 1 103 ARG HA . . 4.910 3.513 3.269 3.852 . 0 0 "[ . 1 . 2]" 1
1143 1 102 ILE MG 1 103 ARG H . . 5.050 4.085 3.695 4.305 . 0 0 "[ . 1 . 2]" 1
1144 1 102 ILE MG 1 103 ARG HA . . 4.870 4.072 3.730 4.370 . 0 0 "[ . 1 . 2]" 1
1145 1 103 ARG H 1 103 ARG QG . . 4.620 3.684 3.037 4.392 . 0 0 "[ . 1 . 2]" 1
1146 1 103 ARG H 1 104 GLU HA . . 5.250 4.670 4.252 4.949 . 0 0 "[ . 1 . 2]" 1
1147 1 103 ARG HA 1 103 ARG QD . . 2.670 2.469 2.094 4.130 1.460 20 2 "[ . 1 . - +]" 1
1148 1 103 ARG HA 1 103 ARG QG . . 3.600 2.682 2.310 3.379 . 0 0 "[ . 1 . 2]" 1
1149 1 103 ARG HA 1 104 GLU H . . 2.440 2.200 2.126 2.337 . 0 0 "[ . 1 . 2]" 1
1150 1 103 ARG HA 1 105 GLU H . . 3.780 3.636 3.282 4.365 0.585 12 1 "[ . 1 + . 2]" 1
1151 1 103 ARG HA 1 105 GLU QG . . 4.580 4.054 3.093 5.125 0.545 4 1 "[ +. 1 . 2]" 1
1152 1 103 ARG QB 1 103 ARG QG . . 2.350 2.020 2.001 2.031 . 0 0 "[ . 1 . 2]" 1
1153 1 103 ARG QB 1 104 GLU H . . 3.730 3.318 2.528 3.980 0.250 12 0 "[ . 1 . 2]" 1
1154 1 103 ARG QB 1 104 GLU HA . . 4.800 4.394 4.066 4.812 0.012 20 0 "[ . 1 . 2]" 1
1155 1 103 ARG QB 1 105 GLU H . . 3.280 2.842 2.182 3.871 0.591 12 1 "[ . 1 + . 2]" 1
1156 1 103 ARG QB 1 105 GLU QB . . 4.830 3.945 2.869 4.942 0.112 14 0 "[ . 1 . 2]" 1
1157 1 103 ARG QD 1 105 GLU H . . 3.370 3.773 2.467 4.373 1.003 12 9 "[ * .* * 1 + -* ***]" 1
1158 1 103 ARG QD 1 105 GLU QG . . 3.060 3.133 2.200 5.014 1.954 19 7 "[ *.* 1 *.- *+*]" 1
1159 1 103 ARG QG 1 105 GLU H . . 4.990 3.624 2.010 4.910 . 0 0 "[ . 1 . 2]" 1
1160 1 104 GLU H 1 104 GLU QB . . 3.610 2.539 2.252 2.953 . 0 0 "[ . 1 . 2]" 1
1161 1 104 GLU H 1 104 GLU QG . . 4.000 3.072 2.046 4.245 0.245 8 0 "[ . 1 . 2]" 1
1162 1 104 GLU H 1 105 GLU H . . 2.620 2.542 2.134 3.637 1.017 12 1 "[ . 1 + . 2]" 1
1163 1 104 GLU H 1 105 GLU QG . . 3.740 3.237 2.810 3.823 0.083 7 0 "[ . 1 . 2]" 1
1164 1 104 GLU HA 1 105 GLU HA . . 4.870 4.561 4.408 4.772 . 0 0 "[ . 1 . 2]" 1
1165 1 104 GLU QB 1 105 GLU H . . 4.280 3.663 2.922 4.020 . 0 0 "[ . 1 . 2]" 1
1166 1 104 GLU QG 1 105 GLU H . . 4.340 4.070 2.411 4.749 0.409 2 0 "[ . 1 . 2]" 1
1167 1 105 GLU H 1 105 GLU QB . . 3.350 2.729 2.349 3.320 . 0 0 "[ . 1 . 2]" 1
1168 1 105 GLU H 1 105 GLU QG . . 2.320 2.346 1.970 2.962 0.642 4 2 "[ +. 1 - . 2]" 1
1169 1 105 GLU HA 1 105 GLU QG . . 3.660 2.887 2.297 3.490 . 0 0 "[ . 1 . 2]" 1
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