NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565019 |
2lxj   |
18679 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lxj
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 744
_Distance_constraint_stats_list.Viol_count 2430
_Distance_constraint_stats_list.Viol_total 45488.484
_Distance_constraint_stats_list.Viol_max 8.270
_Distance_constraint_stats_list.Viol_rms 0.7220
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1529
_Distance_constraint_stats_list.Viol_average_violations_only 0.9360
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 15.845 1.423 12 12 "[*- *. **+*** ***]"
1 3 GLN 872.764 8.270 13 20 [**-*********+*******]
1 4 GLY 12.447 0.797 13 9 "[ -* .* * 1 +*** *2]"
1 5 THR 50.635 1.049 9 19 "[******-*+*** *******]"
1 6 VAL 32.491 0.983 16 8 "[ * . -**1** .+ *2]"
1 7 LYS 19.348 1.391 12 7 "[ .* 1 +* - * **]"
1 8 TRP 29.353 1.648 2 12 "[ +* .* **1 * -*****2]"
1 9 PHE 33.837 1.971 6 15 "[ ***.+*-******** * 2]"
1 10 ASN 11.864 0.938 12 7 "[ - . * + *** *]"
1 11 ALA 6.219 0.773 5 5 "[ * + 1-* .* 2]"
1 12 GLU 15.058 1.605 10 6 "[ * * +-* .* 2]"
1 13 LYS 10.488 1.605 10 7 "[ * . + * *** *]"
1 14 GLY 1.968 0.255 9 0 "[ . 1 . 2]"
1 15 PHE 11.773 1.496 12 10 "[ * *. ***+ *** - 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 1.795 0.783 2 1 "[ + . 1 . 2]"
1 18 ILE 395.496 8.111 5 20 [****+**************-]
1 19 GLU 17.397 1.256 6 5 "[ .+ 1 *. ** -]"
1 20 ARG 12.343 2.149 20 8 "[ * . * *1- *. ** +]"
1 21 GLU 5.641 0.681 12 3 "[ . -1 +* . 2]"
1 22 ASN 3.380 0.681 12 3 "[ . *1 +- . 2]"
1 23 GLY 1.328 0.319 2 0 "[ . 1 . 2]"
1 24 ASP 14.911 0.792 8 12 "[* ****-+*1* * .* *2]"
1 25 ASP 34.548 2.149 20 18 [*********1****.-***+]
1 26 VAL 130.806 6.622 20 20 [***************-***+]
1 27 PHE 2.451 0.338 17 0 "[ . 1 . 2]"
1 28 VAL 17.995 1.329 5 18 "[****+******-**** **]"
1 29 HIS 5.382 1.001 11 2 "[ . 1+ . - 2]"
1 30 PHE 117.994 4.419 11 20 [**********+*********]
1 31 SER 117.904 8.164 16 20 [***************+***-]
1 32 ALA 12.157 1.384 5 3 "[ -+ 1* . 2]"
1 33 ILE 141.411 4.955 16 20 [***************+**-*]
1 34 GLN 454.034 6.134 16 20 [*********-*****+****]
1 35 GLY 11.041 0.667 12 7 "[ * - 1 + ** ** 2]"
1 36 ASP 0.674 0.090 8 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 9.130 1.811 8 6 "[ . +-* * *. * 2]"
1 39 LYS 9.126 1.811 8 6 "[ . +-* * *. * 2]"
1 40 SER 0.012 0.009 19 0 "[ . 1 . 2]"
1 41 LEU 373.176 8.164 16 20 [**********-****+****]
1 42 ASP 48.759 1.069 10 17 "[** ** ***+-** ******]"
1 43 GLU 60.263 1.971 6 16 "[ ***.+*********- **2]"
1 44 GLY 30.781 1.049 9 18 "[********+1*** *-****]"
1 45 GLN 199.274 6.076 16 20 [**********-****+****]
1 46 ALA 180.229 6.134 16 20 [***************+**-*]
1 47 VAL 157.058 4.298 16 20 [***************+****]
1 48 THR 103.044 2.186 9 20 [**-*****+***********]
1 49 PHE 28.937 1.329 5 20 [****+******-********]
1 50 ASP 3.921 0.506 1 1 "[+ . 1 . 2]"
1 51 VAL 317.903 8.270 13 20 [********-***+*******]
1 52 GLU 4.958 0.630 5 3 "[ + *1 -. 2]"
1 53 GLU 29.008 2.123 1 12 "[+* *-* *1* *** **]"
1 54 GLY 34.639 1.680 1 18 "[+***-****** **** ***]"
1 55 GLN 13.088 0.674 9 4 "[ * *- +1 . 2]"
1 56 ARG 11.283 0.913 1 6 "[+ *- ** .* 2]"
1 57 GLY 30.452 2.123 1 10 "[+* .* *1* *** *-]"
1 58 PRO 12.638 1.281 5 9 "[* **+ ** 1 - . **2]"
1 59 GLN 7.643 0.994 7 2 "[- . + 1 . 2]"
1 60 ALA 4.651 0.522 1 1 "[+ . 1 . 2]"
1 61 ALA 10.827 0.506 1 1 "[+ . 1 . 2]"
1 62 ASN 4.158 0.359 17 0 "[ . 1 . 2]"
1 63 VAL 32.384 1.128 5 8 "[ **+ 1- ** **2]"
1 64 GLN 67.233 1.578 6 19 "[*** *+*********-****]"
1 65 LYS 43.479 1.930 20 17 "[**-*.*** ******** *+]"
1 66 ALA 58.374 2.262 16 19 [*******-*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 2 GLU HA 1 3 GLN H . . 2.690 2.411 2.079 3.069 0.379 6 0 "[ . 1 . 2]" 1
2 1 2 GLU QB 1 3 GLN H . . 4.080 3.112 2.095 4.025 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU QG 1 3 GLN H . . 3.460 4.205 3.522 4.883 1.423 12 12 "[*- *. **+*** ***]" 1
4 1 3 GLN H 1 3 GLN QB . . 3.040 2.475 2.281 2.930 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLN H 1 4 GLY H . . 4.650 4.409 4.152 4.562 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN H 1 48 THR HB . . 4.230 5.716 5.052 6.042 1.812 12 20 [***********+*******-] 1
7 1 3 GLN HA 1 3 GLN QG . . 3.440 2.613 2.240 3.508 0.068 9 0 "[ . 1 . 2]" 1
8 1 3 GLN HA 1 4 GLY H . . 2.890 2.173 2.078 2.386 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN HA 1 51 VAL QG . . 5.010 7.281 6.368 8.251 3.241 20 20 [********-**********+] 1
10 1 3 GLN QB 1 4 GLY H . . 3.170 3.385 2.455 3.967 0.797 13 7 "[ -* .* * 1 +*.* 2]" 1
11 1 3 GLN QB 1 48 THR HB . . 4.190 5.043 4.094 6.043 1.853 20 15 "[**-***** 1* **** *+]" 1
12 1 3 GLN QB 1 48 THR MG . . 3.880 2.757 1.780 3.666 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLN QE 1 18 ILE HB . . 4.570 11.399 10.101 12.681 8.111 5 20 [****+**-************] 1
14 1 3 GLN QE 1 18 ILE MD . . 3.870 9.217 7.500 10.543 6.673 5 20 [*-**+***************] 1
15 1 3 GLN QE 1 18 ILE QG . . 5.340 10.726 8.109 12.206 6.866 5 20 [*-**+***************] 1
16 1 3 GLN QE 1 26 VAL QG . . 3.470 9.277 8.518 10.092 6.622 20 20 [*************-*****+] 1
17 1 3 GLN QE 1 51 VAL HA . . 5.340 12.777 11.157 13.610 8.270 13 20 [*********-**+*******] 1
18 1 3 GLN QE 1 51 VAL QG . . 3.030 9.211 7.929 10.033 7.003 13 20 [*********-**+*******] 1
19 1 3 GLN QG 1 4 GLY H . . 4.410 3.661 2.578 4.395 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLN QG 1 48 THR HA . . 4.180 3.971 3.049 5.226 1.046 9 3 "[ . +- . * 2]" 1
21 1 3 GLN QG 1 48 THR HB . . 4.200 4.834 3.193 6.386 2.186 9 12 "[ ** .* *+* -**.* * *]" 1
22 1 3 GLN QG 1 48 THR MG . . 4.630 2.483 1.381 3.814 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLY H 1 5 THR H . . 4.250 4.401 4.298 4.485 0.235 17 0 "[ . 1 . 2]" 1
24 1 4 GLY H 1 48 THR HA . . 4.240 3.426 3.178 3.685 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLY H 1 48 THR MG . . 4.200 4.084 3.660 4.306 0.106 19 0 "[ . 1 . 2]" 1
26 1 4 GLY H 1 66 ALA MB . . 5.230 5.183 4.225 6.004 0.774 15 2 "[ . 1 + -2]" 1
27 1 4 GLY QA 1 5 THR H . . 3.110 2.234 2.179 2.305 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR H 1 5 THR HB . . 3.440 2.831 2.595 3.505 0.065 14 0 "[ . 1 . 2]" 1
29 1 5 THR H 1 5 THR MG . . 4.730 3.753 3.108 3.936 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR H 1 6 VAL H . . 4.820 4.427 4.300 4.509 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR H 1 6 VAL QG . . 5.500 5.051 4.822 5.276 . 0 0 "[ . 1 . 2]" 1
32 1 5 THR H 1 19 GLU H . . 4.720 3.295 2.833 3.900 . 0 0 "[ . 1 . 2]" 1
33 1 5 THR H 1 47 VAL QG . . 5.500 4.746 3.926 5.378 . 0 0 "[ . 1 . 2]" 1
34 1 5 THR HA 1 5 THR MG . . 3.300 2.282 2.178 2.371 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR HA 1 6 VAL H . . 2.710 2.173 2.142 2.199 . 0 0 "[ . 1 . 2]" 1
36 1 5 THR HA 1 6 VAL HB . . 4.800 4.733 4.690 4.790 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR HA 1 6 VAL QG . . 4.080 3.536 3.389 3.621 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR HA 1 19 GLU H . . 5.440 4.876 4.522 5.183 . 0 0 "[ . 1 . 2]" 1
39 1 5 THR HA 1 19 GLU QG . . 4.840 4.159 3.915 4.597 . 0 0 "[ . 1 . 2]" 1
40 1 5 THR HA 1 46 ALA H . . 4.610 4.503 4.210 4.954 0.344 20 0 "[ . 1 . 2]" 1
41 1 5 THR HA 1 46 ALA HA . . 3.140 2.182 1.794 2.645 . 0 0 "[ . 1 . 2]" 1
42 1 5 THR HA 1 46 ALA MB . . 4.030 3.494 2.771 4.156 0.126 20 0 "[ . 1 . 2]" 1
43 1 5 THR HA 1 47 VAL H . . 3.410 3.257 2.779 3.694 0.284 6 0 "[ . 1 . 2]" 1
44 1 5 THR HA 1 47 VAL QG . . 3.970 3.571 2.812 4.192 0.222 16 0 "[ . 1 . 2]" 1
45 1 5 THR HB 1 6 VAL H . . 3.590 3.941 3.257 4.183 0.593 9 4 "[ . - +1 * . *2]" 1
46 1 5 THR HB 1 6 VAL HA . . 4.970 5.012 4.775 5.205 0.235 9 0 "[ . 1 . 2]" 1
47 1 5 THR HB 1 7 LYS H . . 5.440 5.188 4.232 5.960 0.520 15 1 "[ . 1 + 2]" 1
48 1 5 THR HB 1 19 GLU H . . 5.000 4.076 3.721 4.820 . 0 0 "[ . 1 . 2]" 1
49 1 5 THR HB 1 19 GLU HB3 . . 5.420 4.778 3.999 6.025 0.605 14 2 "[ . 1 +. - 2]" 1
50 1 5 THR HB 1 19 GLU QG . . 4.370 2.417 1.964 3.430 . 0 0 "[ . 1 . 2]" 1
51 1 5 THR HB 1 44 GLY H . . 4.940 5.351 3.616 5.989 1.049 9 14 "[*****-**+1** * * *]" 1
52 1 5 THR HB 1 44 GLY QA . . 4.500 4.527 2.530 5.130 0.630 7 3 "[ -. + 1 .* 2]" 1
53 1 5 THR HB 1 45 GLN H . . 5.500 6.145 4.627 6.528 1.028 17 16 "[*****-* **** **+ **]" 1
54 1 5 THR MG 1 6 VAL H . . 3.350 2.765 2.480 3.495 0.145 14 0 "[ . 1 . 2]" 1
55 1 5 THR MG 1 44 GLY H . . 4.280 3.341 2.606 4.271 . 0 0 "[ . 1 . 2]" 1
56 1 5 THR MG 1 44 GLY QA . . 4.100 2.531 2.083 3.031 . 0 0 "[ . 1 . 2]" 1
57 1 5 THR MG 1 45 GLN H . . 4.050 3.657 3.159 4.051 0.001 14 0 "[ . 1 . 2]" 1
58 1 5 THR MG 1 46 ALA H . . 4.270 3.771 3.284 4.450 0.180 17 0 "[ . 1 . 2]" 1
59 1 5 THR MG 1 46 ALA HA . . 3.510 3.017 2.521 3.589 0.079 17 0 "[ . 1 . 2]" 1
60 1 5 THR MG 1 46 ALA MB . . 3.850 3.111 2.276 3.872 0.022 17 0 "[ . 1 . 2]" 1
61 1 5 THR MG 1 47 VAL H . . 4.820 4.656 4.084 5.184 0.364 17 0 "[ . 1 . 2]" 1
62 1 6 VAL H 1 6 VAL HB . . 2.980 2.580 2.530 2.662 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL H 1 6 VAL QG . . 2.900 2.044 1.894 2.169 . 0 0 "[ . 1 . 2]" 1
64 1 6 VAL H 1 7 LYS H . . 4.560 4.422 4.087 4.583 0.023 15 0 "[ . 1 . 2]" 1
65 1 6 VAL H 1 18 ILE HA . . 5.080 4.721 4.229 5.373 0.293 2 0 "[ . 1 . 2]" 1
66 1 6 VAL H 1 18 ILE MD . . 4.950 4.856 3.469 5.303 0.353 10 0 "[ . 1 . 2]" 1
67 1 6 VAL H 1 18 ILE QG . . 4.780 4.353 3.413 4.659 . 0 0 "[ . 1 . 2]" 1
68 1 6 VAL H 1 19 GLU QG . . 5.080 4.801 4.648 5.246 0.166 9 0 "[ . 1 . 2]" 1
69 1 6 VAL H 1 41 LEU QD . . 5.410 5.278 3.982 5.903 0.493 10 0 "[ . 1 . 2]" 1
70 1 6 VAL H 1 45 GLN H . . 4.010 3.616 3.237 3.970 . 0 0 "[ . 1 . 2]" 1
71 1 6 VAL H 1 45 GLN HA . . 5.270 4.861 4.611 5.187 . 0 0 "[ . 1 . 2]" 1
72 1 6 VAL H 1 45 GLN HB3 . . 4.430 4.032 3.626 4.351 . 0 0 "[ . 1 . 2]" 1
73 1 6 VAL H 1 46 ALA HA . . 3.820 3.468 2.843 3.943 0.123 20 0 "[ . 1 . 2]" 1
74 1 6 VAL H 1 46 ALA MB . . 5.250 4.805 4.204 5.284 0.034 20 0 "[ . 1 . 2]" 1
75 1 6 VAL H 1 47 VAL H . . 4.560 4.160 3.724 4.573 0.013 13 0 "[ . 1 . 2]" 1
76 1 6 VAL H 1 47 VAL QG . . 4.120 3.362 2.839 3.912 . 0 0 "[ . 1 . 2]" 1
77 1 6 VAL HA 1 6 VAL QG . . 3.270 2.136 2.128 2.140 . 0 0 "[ . 1 . 2]" 1
78 1 6 VAL HA 1 7 LYS H . . 2.910 2.156 2.118 2.209 . 0 0 "[ . 1 . 2]" 1
79 1 6 VAL HA 1 7 LYS QB . . 5.170 4.335 4.036 4.516 . 0 0 "[ . 1 . 2]" 1
80 1 6 VAL HA 1 7 LYS QG . . 5.340 4.142 3.679 5.418 0.078 18 0 "[ . 1 . 2]" 1
81 1 6 VAL HA 1 8 TRP H . . 4.680 4.275 3.768 4.670 . 0 0 "[ . 1 . 2]" 1
82 1 6 VAL HA 1 18 ILE HA . . 3.330 2.339 1.810 2.868 . 0 0 "[ . 1 . 2]" 1
83 1 6 VAL HA 1 18 ILE QG . . 3.850 2.422 1.455 2.810 . 0 0 "[ . 1 . 2]" 1
84 1 6 VAL HA 1 18 ILE MG . . 4.360 2.713 2.197 4.346 . 0 0 "[ . 1 . 2]" 1
85 1 6 VAL HA 1 19 GLU H . . 3.670 3.633 3.165 3.906 0.236 16 0 "[ . 1 . 2]" 1
86 1 6 VAL HB 1 7 LYS H . . 4.460 4.283 4.055 4.418 . 0 0 "[ . 1 . 2]" 1
87 1 6 VAL HB 1 41 LEU QB . . 5.340 3.852 3.030 4.707 . 0 0 "[ . 1 . 2]" 1
88 1 6 VAL HB 1 43 GLU HA . . 3.750 2.852 2.260 3.772 0.022 6 0 "[ . 1 . 2]" 1
89 1 6 VAL HB 1 44 GLY H . . 3.350 2.835 2.172 3.473 0.123 12 0 "[ . 1 . 2]" 1
90 1 6 VAL HB 1 45 GLN H . . 3.400 2.903 2.420 3.466 0.066 12 0 "[ . 1 . 2]" 1
91 1 6 VAL QG 1 7 LYS H . . 3.240 2.907 2.487 3.312 0.072 12 0 "[ . 1 . 2]" 1
92 1 6 VAL QG 1 8 TRP H . . 3.190 3.165 2.565 3.614 0.424 12 0 "[ . 1 . 2]" 1
93 1 6 VAL QG 1 8 TRP HA . . 4.240 3.532 2.950 4.146 . 0 0 "[ . 1 . 2]" 1
94 1 6 VAL QG 1 9 PHE H . . 4.320 3.822 3.280 4.348 0.028 6 0 "[ . 1 . 2]" 1
95 1 6 VAL QG 1 9 PHE QB . . 3.510 2.511 2.167 3.320 . 0 0 "[ . 1 . 2]" 1
96 1 6 VAL QG 1 10 ASN H . . 5.500 5.475 4.737 5.811 0.311 15 0 "[ . 1 . 2]" 1
97 1 6 VAL QG 1 17 PHE H . . 4.940 3.772 3.081 4.531 . 0 0 "[ . 1 . 2]" 1
98 1 6 VAL QG 1 18 ILE H . . 4.840 4.723 4.024 5.151 0.311 2 0 "[ . 1 . 2]" 1
99 1 6 VAL QG 1 18 ILE HA . . 4.300 3.419 2.890 3.752 . 0 0 "[ . 1 . 2]" 1
100 1 6 VAL QG 1 18 ILE QG . . 3.380 2.111 1.715 2.622 . 0 0 "[ . 1 . 2]" 1
101 1 6 VAL QG 1 19 GLU H . . 4.960 4.600 4.236 4.840 . 0 0 "[ . 1 . 2]" 1
102 1 6 VAL QG 1 33 ILE MD . . 4.220 4.287 3.031 5.203 0.983 16 4 "[ * . 1* .+ -2]" 1
103 1 6 VAL QG 1 33 ILE MG . . 4.840 4.840 4.069 5.596 0.756 16 2 "[ . - 1 .+ 2]" 1
104 1 6 VAL QG 1 41 LEU QB . . 3.440 2.120 1.720 2.968 . 0 0 "[ . 1 . 2]" 1
105 1 6 VAL QG 1 41 LEU QD . . 3.840 2.606 1.944 3.399 . 0 0 "[ . 1 . 2]" 1
106 1 6 VAL QG 1 42 ASP H . . 4.240 4.011 3.250 5.166 0.926 12 1 "[ . 1 + . 2]" 1
107 1 6 VAL QG 1 43 GLU H . . 4.560 4.214 3.629 5.078 0.518 12 1 "[ . 1 + . 2]" 1
108 1 6 VAL QG 1 43 GLU HA . . 3.310 2.680 2.169 3.390 0.080 6 0 "[ . 1 . 2]" 1
109 1 6 VAL QG 1 44 GLY H . . 3.880 3.439 3.139 3.766 . 0 0 "[ . 1 . 2]" 1
110 1 6 VAL QG 1 45 GLN H . . 4.290 3.543 2.994 4.084 . 0 0 "[ . 1 . 2]" 1
111 1 6 VAL QG 1 45 GLN HB2 . . 4.880 4.263 3.501 4.756 . 0 0 "[ . 1 . 2]" 1
112 1 6 VAL QG 1 45 GLN HB3 . . 3.790 2.983 2.290 3.481 . 0 0 "[ . 1 . 2]" 1
113 1 6 VAL QG 1 47 VAL HB . . 4.890 4.404 3.852 4.971 0.081 13 0 "[ . 1 . 2]" 1
114 1 6 VAL QG 1 47 VAL QG . . 3.110 2.178 1.867 2.533 . 0 0 "[ . 1 . 2]" 1
115 1 7 LYS H 1 7 LYS QB . . 3.490 2.366 2.078 2.542 . 0 0 "[ . 1 . 2]" 1
116 1 7 LYS H 1 7 LYS QG . . 4.040 2.605 2.046 3.782 . 0 0 "[ . 1 . 2]" 1
117 1 7 LYS H 1 8 TRP H . . 3.120 2.647 2.135 2.880 . 0 0 "[ . 1 . 2]" 1
118 1 7 LYS H 1 18 ILE HA . . 3.280 2.459 2.040 3.131 . 0 0 "[ . 1 . 2]" 1
119 1 7 LYS H 1 18 ILE QG . . 4.060 3.754 2.751 4.301 0.241 13 0 "[ . 1 . 2]" 1
120 1 7 LYS HA 1 7 LYS QG . . 3.480 2.645 2.273 3.057 . 0 0 "[ . 1 . 2]" 1
121 1 7 LYS HA 1 8 TRP HA . . 4.730 4.598 4.485 4.700 . 0 0 "[ . 1 . 2]" 1
122 1 7 LYS QB 1 7 LYS QE . . 4.180 2.752 1.825 3.860 . 0 0 "[ . 1 . 2]" 1
123 1 7 LYS QB 1 8 TRP H . . 3.210 2.158 1.828 2.711 . 0 0 "[ . 1 . 2]" 1
124 1 7 LYS QB 1 8 TRP HE1 . . 4.460 4.057 3.113 5.639 1.179 17 1 "[ . 1 . + 2]" 1
125 1 7 LYS QB 1 18 ILE H . . 4.940 5.104 4.488 6.331 1.391 12 3 "[ . 1 +- . *2]" 1
126 1 7 LYS QB 1 18 ILE HA . . 5.500 3.868 2.992 4.452 . 0 0 "[ . 1 . 2]" 1
127 1 7 LYS QB 1 18 ILE QG . . 5.500 5.174 4.557 5.767 0.267 12 0 "[ . 1 . 2]" 1
128 1 7 LYS QB 1 19 GLU H . . 4.250 4.295 3.013 5.506 1.256 6 2 "[ .+ 1 . - 2]" 1
129 1 7 LYS QB 1 19 GLU HB3 . . 4.160 4.126 3.077 4.941 0.781 17 2 "[ . 1 . + -]" 1
130 1 7 LYS QE 1 7 LYS QG . . 3.280 2.446 2.112 2.797 . 0 0 "[ . 1 . 2]" 1
131 1 7 LYS QG 1 8 TRP H . . 4.890 3.920 3.627 4.380 . 0 0 "[ . 1 . 2]" 1
132 1 7 LYS QG 1 18 ILE HA . . 5.340 3.525 2.603 4.973 . 0 0 "[ . 1 . 2]" 1
133 1 7 LYS QG 1 19 GLU H . . 3.660 3.009 2.216 4.117 0.457 6 0 "[ . 1 . 2]" 1
134 1 7 LYS QG 1 19 GLU HB3 . . 3.420 2.515 1.789 3.648 0.228 12 0 "[ . 1 . 2]" 1
135 1 7 LYS QG 1 19 GLU QG . . 4.010 2.863 2.254 3.549 . 0 0 "[ . 1 . 2]" 1
136 1 8 TRP H 1 8 TRP QB . . 3.550 2.969 2.578 3.343 . 0 0 "[ . 1 . 2]" 1
137 1 8 TRP H 1 8 TRP HE1 . . 5.500 5.287 4.500 6.504 1.004 17 3 "[ .- 1 . + *2]" 1
138 1 8 TRP H 1 9 PHE H . . 4.470 4.270 3.996 4.409 . 0 0 "[ . 1 . 2]" 1
139 1 8 TRP H 1 17 PHE HB2 . . 4.870 3.191 2.626 4.059 . 0 0 "[ . 1 . 2]" 1
140 1 8 TRP H 1 17 PHE QB . . 4.130 3.125 2.597 3.942 . 0 0 "[ . 1 . 2]" 1
141 1 8 TRP H 1 17 PHE HB3 . . 4.870 4.515 3.854 5.345 0.475 12 0 "[ . 1 . 2]" 1
142 1 8 TRP H 1 18 ILE HA . . 4.690 4.476 3.810 4.830 0.140 6 0 "[ . 1 . 2]" 1
143 1 8 TRP HA 1 9 PHE H . . 2.940 2.244 2.090 2.435 . 0 0 "[ . 1 . 2]" 1
144 1 8 TRP HA 1 17 PHE H . . 5.440 4.902 4.394 5.326 . 0 0 "[ . 1 . 2]" 1
145 1 8 TRP HA 1 43 GLU HA . . 4.290 4.267 3.414 5.036 0.746 9 5 "[ ** . +1 .- * 2]" 1
146 1 8 TRP HA 1 43 GLU QG . . 4.410 3.945 1.791 6.058 1.648 2 7 "[ +* . * 1 * -* * 2]" 1
147 1 8 TRP HA 1 44 GLY H . . 5.500 5.693 4.938 6.524 1.024 9 6 "[ * . +1 -* **2]" 1
148 1 8 TRP QB 1 9 PHE H . . 3.220 2.918 2.438 3.495 0.275 19 0 "[ . 1 . 2]" 1
149 1 8 TRP HB2 1 9 PHE H . . 3.970 3.509 2.493 4.379 0.409 19 0 "[ . 1 . 2]" 1
150 1 8 TRP HB3 1 9 PHE H . . 3.970 3.499 2.468 4.034 0.064 12 0 "[ . 1 . 2]" 1
151 1 9 PHE H 1 9 PHE HB2 . . 4.000 3.412 2.813 3.918 . 0 0 "[ . 1 . 2]" 1
152 1 9 PHE H 1 9 PHE HB3 . . 4.000 2.925 2.585 3.343 . 0 0 "[ . 1 . 2]" 1
153 1 9 PHE H 1 43 GLU H . . 5.050 5.542 4.278 6.514 1.464 6 11 "[ ***.+ -*1 **** * 2]" 1
154 1 9 PHE H 1 43 GLU HA . . 5.050 5.077 4.108 5.793 0.743 18 4 "[ .* 1 *.- + 2]" 1
155 1 9 PHE H 1 43 GLU QG . . 5.340 4.344 1.825 6.493 1.153 18 3 "[ - . 1 *. + 2]" 1
156 1 9 PHE HA 1 10 ASN H . . 3.170 2.154 2.093 2.261 . 0 0 "[ . 1 . 2]" 1
157 1 9 PHE HA 1 11 ALA H . . 5.080 4.723 4.144 4.942 . 0 0 "[ . 1 . 2]" 1
158 1 9 PHE QB 1 41 LEU H . . 5.340 4.049 2.936 5.166 . 0 0 "[ . 1 . 2]" 1
159 1 9 PHE QB 1 41 LEU QB . . 4.250 3.420 2.311 4.487 0.237 20 0 "[ . 1 . 2]" 1
160 1 9 PHE QB 1 43 GLU H . . 4.590 5.091 3.506 6.561 1.971 6 10 "[ *.+* *-**** * 2]" 1
161 1 9 PHE HB2 1 10 ASN H . . 4.530 4.061 3.009 4.586 0.056 9 0 "[ . 1 . 2]" 1
162 1 9 PHE HB3 1 10 ASN H . . 4.530 4.359 4.085 4.487 . 0 0 "[ . 1 . 2]" 1
163 1 10 ASN H 1 10 ASN QB . . 3.370 2.381 2.276 2.475 . 0 0 "[ . 1 . 2]" 1
164 1 10 ASN H 1 13 LYS QB . . 4.930 4.928 4.454 5.868 0.938 12 4 "[ . 1 + -** 2]" 1
165 1 10 ASN H 1 15 PHE H . . 4.090 4.041 3.648 4.273 0.183 15 0 "[ . 1 . 2]" 1
166 1 10 ASN HA 1 11 ALA H . . 2.860 2.306 2.215 2.474 . 0 0 "[ . 1 . 2]" 1
167 1 10 ASN HA 1 12 GLU H . . 3.860 3.366 2.940 3.681 . 0 0 "[ . 1 . 2]" 1
168 1 10 ASN QB 1 11 ALA H . . 4.240 3.887 3.766 4.030 . 0 0 "[ . 1 . 2]" 1
169 1 10 ASN QB 1 12 GLU H . . 4.680 3.957 3.645 4.586 . 0 0 "[ . 1 . 2]" 1
170 1 10 ASN QB 1 13 LYS H . . 4.220 3.055 2.421 3.978 . 0 0 "[ . 1 . 2]" 1
171 1 10 ASN QB 1 15 PHE H . . 3.600 2.982 2.380 3.456 . 0 0 "[ . 1 . 2]" 1
172 1 10 ASN HB2 1 11 ALA H . . 4.880 4.518 4.444 4.625 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASN HB2 1 15 PHE H . . 4.260 3.636 2.410 5.136 0.876 10 4 "[ - . + ** 2]" 1
174 1 10 ASN HB3 1 11 ALA H . . 4.880 4.243 4.043 4.486 . 0 0 "[ . 1 . 2]" 1
175 1 10 ASN HB3 1 15 PHE H . . 4.260 3.668 2.890 4.215 . 0 0 "[ . 1 . 2]" 1
176 1 10 ASN QD 1 13 LYS QB . . 4.100 3.598 2.324 4.722 0.622 20 2 "[ - . 1 . +]" 1
177 1 11 ALA H 1 11 ALA MB . . 2.980 2.232 2.216 2.249 . 0 0 "[ . 1 . 2]" 1
178 1 11 ALA H 1 12 GLU H . . 3.170 2.655 2.559 2.825 . 0 0 "[ . 1 . 2]" 1
179 1 11 ALA H 1 13 LYS H . . 4.590 4.128 3.862 4.459 . 0 0 "[ . 1 . 2]" 1
180 1 11 ALA HA 1 13 LYS H . . 4.720 3.865 3.398 4.255 . 0 0 "[ . 1 . 2]" 1
181 1 11 ALA HA 1 14 GLY H . . 3.860 3.211 2.895 3.888 0.028 11 0 "[ . 1 . 2]" 1
182 1 11 ALA HA 1 14 GLY QA . . 4.470 3.457 2.859 4.376 . 0 0 "[ . 1 . 2]" 1
183 1 11 ALA HA 1 15 PHE H . . 4.450 3.985 3.053 4.450 . 0 0 "[ . 1 . 2]" 1
184 1 11 ALA MB 1 12 GLU H . . 3.420 2.800 2.581 3.212 . 0 0 "[ . 1 . 2]" 1
185 1 11 ALA MB 1 12 GLU HB2 . . 4.560 4.848 4.360 5.333 0.773 5 5 "[ * + 1-* .* 2]" 1
186 1 11 ALA MB 1 12 GLU QG . . 4.070 3.330 2.802 3.926 . 0 0 "[ . 1 . 2]" 1
187 1 11 ALA MB 1 13 LYS H . . 4.910 4.389 4.188 4.668 . 0 0 "[ . 1 . 2]" 1
188 1 11 ALA MB 1 14 GLY H . . 4.980 4.487 4.252 4.868 . 0 0 "[ . 1 . 2]" 1
189 1 12 GLU H 1 12 GLU HB2 . . 2.810 2.600 2.333 3.553 0.743 5 2 "[ + 1- . 2]" 1
190 1 12 GLU H 1 12 GLU HB3 . . 3.490 3.537 2.695 3.625 0.135 15 0 "[ . 1 . 2]" 1
191 1 12 GLU H 1 12 GLU QG . . 3.410 2.183 1.875 2.522 . 0 0 "[ . 1 . 2]" 1
192 1 12 GLU H 1 13 LYS H . . 2.930 2.511 2.266 2.692 . 0 0 "[ . 1 . 2]" 1
193 1 12 GLU H 1 13 LYS QB . . 4.790 4.586 4.281 4.827 0.037 2 0 "[ . 1 . 2]" 1
194 1 12 GLU H 1 13 LYS QG . . 4.410 4.266 3.518 6.015 1.605 10 1 "[ . + . 2]" 1
195 1 12 GLU H 1 14 GLY H . . 3.830 3.888 3.693 4.085 0.255 9 0 "[ . 1 . 2]" 1
196 1 12 GLU H 1 14 GLY QA . . 5.500 5.347 5.027 5.618 0.118 9 0 "[ . 1 . 2]" 1
197 1 12 GLU HB2 1 13 LYS H . . 3.720 3.152 2.634 3.888 0.168 5 0 "[ . 1 . 2]" 1
198 1 12 GLU HB2 1 13 LYS QD . . 5.340 4.150 3.089 5.162 . 0 0 "[ . 1 . 2]" 1
199 1 12 GLU HB3 1 13 LYS H . . 4.040 4.053 3.742 4.490 0.450 11 0 "[ . 1 . 2]" 1
200 1 12 GLU QG 1 13 LYS H . . 4.710 4.038 2.392 4.445 . 0 0 "[ . 1 . 2]" 1
201 1 13 LYS H 1 13 LYS QB . . 3.400 2.471 2.155 2.733 . 0 0 "[ . 1 . 2]" 1
202 1 13 LYS H 1 13 LYS QD . . 4.370 3.838 3.054 4.941 0.571 16 1 "[ . 1 .+ 2]" 1
203 1 13 LYS H 1 13 LYS HG2 . . 4.230 2.840 2.314 4.420 0.190 10 0 "[ . 1 . 2]" 1
204 1 13 LYS H 1 13 LYS QG . . 3.360 2.764 2.295 3.899 0.539 10 1 "[ . + . 2]" 1
205 1 13 LYS H 1 13 LYS HG3 . . 4.230 3.985 3.163 4.336 0.106 10 0 "[ . 1 . 2]" 1
206 1 13 LYS H 1 14 GLY H . . 3.250 2.074 1.874 2.222 . 0 0 "[ . 1 . 2]" 1
207 1 13 LYS H 1 15 PHE H . . 4.140 3.690 3.517 3.900 . 0 0 "[ . 1 . 2]" 1
208 1 13 LYS HA 1 13 LYS QD . . 4.580 2.228 1.884 3.775 . 0 0 "[ . 1 . 2]" 1
209 1 13 LYS HA 1 13 LYS HG2 . . 3.940 3.042 2.613 3.607 . 0 0 "[ . 1 . 2]" 1
210 1 13 LYS HA 1 13 LYS HG3 . . 3.940 3.690 2.393 3.908 . 0 0 "[ . 1 . 2]" 1
211 1 13 LYS HA 1 14 GLY QA . . 5.120 4.206 4.088 4.308 . 0 0 "[ . 1 . 2]" 1
212 1 13 LYS QB 1 13 LYS QE . . 4.450 3.232 1.912 3.860 . 0 0 "[ . 1 . 2]" 1
213 1 13 LYS QB 1 14 GLY H . . 4.170 2.824 2.429 3.133 . 0 0 "[ . 1 . 2]" 1
214 1 13 LYS QB 1 15 PHE H . . 3.910 3.053 2.608 3.500 . 0 0 "[ . 1 . 2]" 1
215 1 13 LYS QD 1 13 LYS QG . . 2.370 2.062 2.013 2.094 . 0 0 "[ . 1 . 2]" 1
216 1 13 LYS QG 1 14 GLY H . . 4.780 4.161 3.623 4.776 . 0 0 "[ . 1 . 2]" 1
217 1 13 LYS QG 1 15 PHE H . . 5.340 4.803 4.170 5.169 . 0 0 "[ . 1 . 2]" 1
218 1 14 GLY H 1 15 PHE H . . 3.180 2.193 1.986 2.387 . 0 0 "[ . 1 . 2]" 1
219 1 14 GLY QA 1 30 PHE QB . . 4.500 2.794 2.018 3.922 . 0 0 "[ . 1 . 2]" 1
220 1 14 GLY QA 1 30 PHE QD . . 4.200 2.543 1.772 3.090 . 0 0 "[ . 1 . 2]" 1
221 1 15 PHE H 1 16 GLY H . . 4.610 4.383 4.343 4.424 . 0 0 "[ . 1 . 2]" 1
222 1 15 PHE H 1 29 HIS HA . . 5.500 5.159 4.777 6.016 0.516 18 1 "[ . 1 . + 2]" 1
223 1 15 PHE H 1 30 PHE QB . . 4.700 4.859 3.975 6.196 1.496 12 5 "[ *. *1-+ *. 2]" 1
224 1 16 GLY H 1 28 VAL H . . 3.890 3.037 2.831 3.324 . 0 0 "[ . 1 . 2]" 1
225 1 16 GLY H 1 28 VAL QG . . 3.430 2.413 2.140 2.692 . 0 0 "[ . 1 . 2]" 1
226 1 16 GLY H 1 29 HIS HA . . 4.560 3.909 3.482 4.261 . 0 0 "[ . 1 . 2]" 1
227 1 17 PHE H 1 18 ILE QG . . 5.020 4.231 3.750 5.803 0.783 2 1 "[ + . 1 . 2]" 1
228 1 17 PHE HA 1 18 ILE H . . 2.980 2.122 2.091 2.164 . 0 0 "[ . 1 . 2]" 1
229 1 17 PHE HA 1 27 PHE HA . . 4.210 3.113 2.677 3.482 . 0 0 "[ . 1 . 2]" 1
230 1 17 PHE HA 1 28 VAL H . . 3.790 3.325 2.829 3.852 0.062 19 0 "[ . 1 . 2]" 1
231 1 17 PHE HA 1 28 VAL QG . . 4.240 3.398 2.819 4.107 . 0 0 "[ . 1 . 2]" 1
232 1 17 PHE QB 1 18 ILE H . . 3.530 3.256 2.946 3.444 . 0 0 "[ . 1 . 2]" 1
233 1 17 PHE HB2 1 18 ILE H . . 4.350 4.270 4.114 4.384 0.034 13 0 "[ . 1 . 2]" 1
234 1 17 PHE HB3 1 18 ILE H . . 4.350 3.378 3.018 3.601 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE H 1 18 ILE HB . . 3.190 2.657 2.550 2.821 . 0 0 "[ . 1 . 2]" 1
236 1 18 ILE H 1 18 ILE MD . . 4.290 3.922 3.748 4.608 0.318 2 0 "[ . 1 . 2]" 1
237 1 18 ILE H 1 18 ILE QG . . 3.610 2.614 2.311 4.076 0.466 2 0 "[ . 1 . 2]" 1
238 1 18 ILE H 1 18 ILE MG . . 3.950 3.775 2.295 3.900 . 0 0 "[ . 1 . 2]" 1
239 1 18 ILE H 1 26 VAL HB . . 3.560 3.134 2.631 3.560 . 0 0 "[ . 1 . 2]" 1
240 1 18 ILE H 1 26 VAL QG . . 4.660 3.754 3.428 4.017 . 0 0 "[ . 1 . 2]" 1
241 1 18 ILE H 1 27 PHE H . . 5.120 5.033 4.871 5.199 0.079 12 0 "[ . 1 . 2]" 1
242 1 18 ILE H 1 27 PHE HA . . 4.640 4.135 3.699 4.446 . 0 0 "[ . 1 . 2]" 1
243 1 18 ILE H 1 28 VAL HB . . 5.100 4.435 3.857 5.104 0.004 19 0 "[ . 1 . 2]" 1
244 1 18 ILE HA 1 18 ILE MG . . 3.250 2.397 2.262 3.196 . 0 0 "[ . 1 . 2]" 1
245 1 18 ILE HA 1 19 GLU H . . 2.860 2.254 2.176 2.510 . 0 0 "[ . 1 . 2]" 1
246 1 18 ILE HB 1 18 ILE MD . . 3.370 2.421 2.390 2.447 . 0 0 "[ . 1 . 2]" 1
247 1 18 ILE HB 1 19 GLU H . . 4.630 4.028 3.526 4.188 . 0 0 "[ . 1 . 2]" 1
248 1 18 ILE HB 1 26 VAL H . . 3.990 3.793 3.006 5.412 1.422 2 2 "[ + . 1 . -]" 1
249 1 18 ILE HB 1 26 VAL HB . . 3.550 2.492 1.932 4.157 0.607 2 1 "[ + . 1 . 2]" 1
250 1 18 ILE HB 1 26 VAL QG . . 4.510 3.243 2.795 4.295 . 0 0 "[ . 1 . 2]" 1
251 1 18 ILE HB 1 49 PHE QD . . 5.190 4.632 3.756 5.644 0.454 2 0 "[ . 1 . 2]" 1
252 1 18 ILE MD 1 18 ILE MG . . 2.870 1.936 1.879 2.007 . 0 0 "[ . 1 . 2]" 1
253 1 18 ILE MD 1 19 GLU H . . 4.910 4.998 3.766 5.319 0.409 9 0 "[ . 1 . 2]" 1
254 1 18 ILE MD 1 26 VAL HB . . 4.520 3.777 3.036 4.754 0.234 16 0 "[ . 1 . 2]" 1
255 1 18 ILE MD 1 28 VAL HB . . 3.870 2.687 2.146 3.576 . 0 0 "[ . 1 . 2]" 1
256 1 18 ILE MD 1 47 VAL QG . . 3.260 2.252 1.791 2.891 . 0 0 "[ . 1 . 2]" 1
257 1 18 ILE MD 1 60 ALA MB . . 4.180 2.616 2.152 3.464 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE QG 1 19 GLU H . . 5.080 4.117 2.008 4.407 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE QG 1 26 VAL H . . 5.500 4.956 4.531 5.731 0.231 20 0 "[ . 1 . 2]" 1
260 1 18 ILE QG 1 28 VAL QG . . 4.210 2.606 2.178 3.884 . 0 0 "[ . 1 . 2]" 1
261 1 18 ILE QG 1 33 ILE MG . . 5.140 6.244 5.439 7.332 2.192 2 18 "[*+*-******** ******2]" 1
262 1 18 ILE QG 1 47 VAL QG . . 3.790 3.446 2.932 4.143 0.353 5 0 "[ . 1 . 2]" 1
263 1 18 ILE QG 1 49 PHE QD . . 5.250 4.799 4.382 5.103 . 0 0 "[ . 1 . 2]" 1
264 1 18 ILE MG 1 19 GLU H . . 2.920 2.535 1.816 3.178 0.258 2 0 "[ . 1 . 2]" 1
265 1 18 ILE MG 1 19 GLU HA . . 4.030 4.045 3.695 4.435 0.405 13 0 "[ . 1 . 2]" 1
266 1 18 ILE MG 1 26 VAL H . . 4.560 4.408 3.577 4.933 0.373 20 0 "[ . 1 . 2]" 1
267 1 18 ILE MG 1 26 VAL HB . . 4.820 3.675 1.788 4.426 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLU H 1 19 GLU HB3 . . 3.160 2.808 2.532 3.258 0.098 6 0 "[ . 1 . 2]" 1
269 1 19 GLU H 1 19 GLU QG . . 3.050 2.066 1.824 2.297 . 0 0 "[ . 1 . 2]" 1
270 1 19 GLU HA 1 20 ARG H . . 2.770 2.168 2.077 2.421 . 0 0 "[ . 1 . 2]" 1
271 1 20 ARG H 1 20 ARG QB . . 3.580 2.404 2.225 2.677 . 0 0 "[ . 1 . 2]" 1
272 1 20 ARG H 1 21 GLU H . . 4.530 4.456 4.148 4.599 0.069 16 0 "[ . 1 . 2]" 1
273 1 20 ARG QB 1 20 ARG QD . . 3.310 2.224 2.093 2.501 . 0 0 "[ . 1 . 2]" 1
274 1 20 ARG QB 1 25 ASP HA . . 4.740 4.962 2.464 6.889 2.149 20 8 "[ * . * *1- *. ** +]" 1
275 1 20 ARG QB 1 26 VAL H . . 4.810 4.367 3.404 5.490 0.680 2 1 "[ + . 1 . 2]" 1
276 1 20 ARG QG 1 21 GLU H . . 4.510 2.122 1.744 3.299 . 0 0 "[ . 1 . 2]" 1
277 1 21 GLU H 1 21 GLU QB . . 2.740 2.649 2.397 3.295 0.555 9 1 "[ . +1 . 2]" 1
278 1 21 GLU H 1 21 GLU QG . . 3.570 2.193 1.695 3.278 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLU H 1 22 ASN H . . 3.470 2.997 2.690 4.151 0.681 12 2 "[ . -1 + . 2]" 1
280 1 21 GLU HA 1 21 GLU HG2 . . 4.190 3.290 2.500 4.214 0.024 13 0 "[ . 1 . 2]" 1
281 1 21 GLU HA 1 21 GLU QG . . 3.510 2.954 2.403 3.493 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLU HA 1 21 GLU HG3 . . 4.190 3.516 2.486 4.254 0.064 1 0 "[ . 1 . 2]" 1
283 1 21 GLU HA 1 22 ASN HA . . 4.690 4.597 4.489 4.740 0.050 4 0 "[ . 1 . 2]" 1
284 1 21 GLU QB 1 22 ASN H . . 3.300 2.906 1.752 3.868 0.568 13 1 "[ . 1 + . 2]" 1
285 1 21 GLU QB 1 23 GLY H . . 4.810 4.620 3.809 5.129 0.319 2 0 "[ . 1 . 2]" 1
286 1 21 GLU QG 1 22 ASN H . . 4.760 3.505 1.781 4.348 . 0 0 "[ . 1 . 2]" 1
287 1 22 ASN H 1 22 ASN QB . . 3.470 2.429 2.243 2.654 . 0 0 "[ . 1 . 2]" 1
288 1 22 ASN H 1 23 GLY H . . 3.340 2.742 2.301 3.592 0.252 20 0 "[ . 1 . 2]" 1
289 1 22 ASN QB 1 23 GLY H . . 4.300 3.588 2.794 4.062 . 0 0 "[ . 1 . 2]" 1
290 1 23 GLY H 1 24 ASP H . . 4.440 2.569 1.866 3.768 . 0 0 "[ . 1 . 2]" 1
291 1 23 GLY QA 1 24 ASP H . . 3.120 2.677 2.110 2.921 . 0 0 "[ . 1 . 2]" 1
292 1 24 ASP H 1 24 ASP QB . . 2.980 2.325 2.214 2.719 . 0 0 "[ . 1 . 2]" 1
293 1 24 ASP H 1 25 ASP H . . 3.810 3.696 2.704 4.187 0.377 15 0 "[ . 1 . 2]" 1
294 1 24 ASP QB 1 25 ASP H . . 3.280 3.829 3.383 4.072 0.792 8 12 "[* ****-+*1* * .* *2]" 1
295 1 25 ASP H 1 26 VAL H . . 4.350 4.069 2.254 4.596 0.246 8 0 "[ . 1 . 2]" 1
296 1 25 ASP H 1 26 VAL HA . . 4.860 5.152 4.067 5.559 0.699 1 9 "[+ * ** *1** .- *2]" 1
297 1 26 VAL H 1 26 VAL QG . . 3.400 2.229 2.002 2.665 . 0 0 "[ . 1 . 2]" 1
298 1 26 VAL H 1 27 PHE H . . 4.550 4.462 4.286 4.554 0.004 9 0 "[ . 1 . 2]" 1
299 1 26 VAL HA 1 27 PHE QB . . 4.520 4.001 3.922 4.095 . 0 0 "[ . 1 . 2]" 1
300 1 26 VAL HA 1 58 PRO QB . . 4.910 3.078 1.809 4.344 . 0 0 "[ . 1 . 2]" 1
301 1 26 VAL HA 1 58 PRO QG . . 4.030 2.704 1.782 3.885 . 0 0 "[ . 1 . 2]" 1
302 1 26 VAL HB 1 28 VAL QG . . 5.250 4.832 4.524 5.168 . 0 0 "[ . 1 . 2]" 1
303 1 26 VAL QG 1 27 PHE H . . 3.520 2.618 2.378 2.817 . 0 0 "[ . 1 . 2]" 1
304 1 26 VAL QG 1 58 PRO QB . . 4.490 2.160 1.690 2.860 . 0 0 "[ . 1 . 2]" 1
305 1 26 VAL QG 1 58 PRO HG2 . . 4.830 2.995 2.081 3.707 . 0 0 "[ . 1 . 2]" 1
306 1 26 VAL QG 1 58 PRO QG . . 4.250 2.851 2.032 3.550 . 0 0 "[ . 1 . 2]" 1
307 1 26 VAL QG 1 58 PRO HG3 . . 4.830 3.627 2.764 4.577 . 0 0 "[ . 1 . 2]" 1
308 1 26 VAL QG 1 59 GLN H . . 5.470 3.821 3.342 4.778 . 0 0 "[ . 1 . 2]" 1
309 1 26 VAL QG 1 59 GLN HA . . 4.540 3.039 2.281 3.677 . 0 0 "[ . 1 . 2]" 1
310 1 27 PHE H 1 27 PHE QB . . 3.220 2.270 2.237 2.309 . 0 0 "[ . 1 . 2]" 1
311 1 27 PHE H 1 27 PHE QD . . 5.030 4.194 4.148 4.218 . 0 0 "[ . 1 . 2]" 1
312 1 27 PHE H 1 28 VAL QG . . 5.370 5.291 5.104 5.458 0.088 16 0 "[ . 1 . 2]" 1
313 1 27 PHE H 1 58 PRO QG . . 5.350 3.636 2.698 4.625 . 0 0 "[ . 1 . 2]" 1
314 1 27 PHE HA 1 28 VAL H . . 2.870 2.175 2.142 2.234 . 0 0 "[ . 1 . 2]" 1
315 1 27 PHE HA 1 28 VAL QG . . 4.960 3.815 3.632 3.927 . 0 0 "[ . 1 . 2]" 1
316 1 27 PHE QB 1 28 VAL H . . 4.350 3.907 3.727 4.004 . 0 0 "[ . 1 . 2]" 1
317 1 27 PHE QB 1 58 PRO QG . . 5.110 4.656 3.915 5.448 0.338 17 0 "[ . 1 . 2]" 1
318 1 27 PHE QB 1 59 GLN HA . . 3.960 2.827 2.445 3.495 . 0 0 "[ . 1 . 2]" 1
319 1 27 PHE QB 1 60 ALA H . . 4.890 4.008 3.795 4.312 . 0 0 "[ . 1 . 2]" 1
320 1 27 PHE QD 1 28 VAL H . . 4.090 3.927 3.429 4.235 0.145 6 0 "[ . 1 . 2]" 1
321 1 27 PHE QD 1 59 GLN HA . . 4.630 3.816 3.212 4.674 0.044 20 0 "[ . 1 . 2]" 1
322 1 27 PHE QD 1 60 ALA H . . 4.700 4.485 4.021 4.939 0.239 15 0 "[ . 1 . 2]" 1
323 1 28 VAL H 1 28 VAL HB . . 3.760 2.886 2.640 3.195 . 0 0 "[ . 1 . 2]" 1
324 1 28 VAL H 1 28 VAL QG . . 2.950 2.121 2.018 2.230 . 0 0 "[ . 1 . 2]" 1
325 1 28 VAL H 1 29 HIS H . . 4.460 4.508 4.364 4.582 0.122 16 0 "[ . 1 . 2]" 1
326 1 28 VAL HA 1 28 VAL QG . . 3.330 2.273 2.230 2.309 . 0 0 "[ . 1 . 2]" 1
327 1 28 VAL HA 1 29 HIS H . . 2.770 2.248 2.150 2.384 . 0 0 "[ . 1 . 2]" 1
328 1 28 VAL HA 1 60 ALA H . . 3.650 2.589 2.179 3.142 . 0 0 "[ . 1 . 2]" 1
329 1 28 VAL HA 1 60 ALA MB . . 3.640 2.279 1.799 2.938 . 0 0 "[ . 1 . 2]" 1
330 1 28 VAL HB 1 29 HIS H . . 4.380 4.052 3.934 4.201 . 0 0 "[ . 1 . 2]" 1
331 1 28 VAL HB 1 60 ALA H . . 4.960 3.915 3.220 4.586 . 0 0 "[ . 1 . 2]" 1
332 1 28 VAL HB 1 60 ALA MB . . 3.300 2.025 1.779 2.740 . 0 0 "[ . 1 . 2]" 1
333 1 28 VAL QG 1 29 HIS H . . 3.310 2.210 1.850 2.606 . 0 0 "[ . 1 . 2]" 1
334 1 28 VAL QG 1 32 ALA H . . 4.720 4.122 3.688 4.804 0.084 2 0 "[ . 1 . 2]" 1
335 1 28 VAL QG 1 32 ALA MB . . 3.520 2.825 2.083 3.829 0.309 2 0 "[ . 1 . 2]" 1
336 1 28 VAL QG 1 33 ILE H . . 5.210 3.573 3.013 4.140 . 0 0 "[ . 1 . 2]" 1
337 1 28 VAL QG 1 33 ILE QG . . 4.360 2.053 1.775 2.841 . 0 0 "[ . 1 . 2]" 1
338 1 28 VAL QG 1 49 PHE QD . . 4.140 4.929 4.608 5.469 1.329 5 18 "[****+******-**** **]" 1
339 1 28 VAL QG 1 60 ALA H . . 4.400 3.726 3.375 4.151 . 0 0 "[ . 1 . 2]" 1
340 1 28 VAL QG 1 60 ALA MB . . 3.620 2.031 1.782 2.232 . 0 0 "[ . 1 . 2]" 1
341 1 29 HIS H 1 29 HIS QB . . 3.580 2.674 2.221 3.249 . 0 0 "[ . 1 . 2]" 1
342 1 29 HIS H 1 32 ALA H . . 5.000 3.978 3.670 4.339 . 0 0 "[ . 1 . 2]" 1
343 1 29 HIS H 1 32 ALA MB . . 3.800 2.584 1.944 3.182 . 0 0 "[ . 1 . 2]" 1
344 1 29 HIS H 1 60 ALA H . . 4.620 4.339 3.702 4.811 0.191 1 0 "[ . 1 . 2]" 1
345 1 29 HIS H 1 60 ALA MB . . 4.250 3.788 3.108 4.293 0.043 10 0 "[ . 1 . 2]" 1
346 1 29 HIS HA 1 30 PHE H . . 3.000 2.299 2.192 2.434 . 0 0 "[ . 1 . 2]" 1
347 1 29 HIS HA 1 31 SER H . . 4.640 4.170 3.878 4.600 . 0 0 "[ . 1 . 2]" 1
348 1 29 HIS QB 1 30 PHE H . . 4.300 2.871 2.358 3.718 . 0 0 "[ . 1 . 2]" 1
349 1 29 HIS QB 1 31 SER H . . 3.790 2.844 2.278 3.782 . 0 0 "[ . 1 . 2]" 1
350 1 29 HIS QB 1 32 ALA H . . 3.910 3.367 2.472 4.911 1.001 11 1 "[ . 1+ . 2]" 1
351 1 30 PHE H 1 30 PHE QB . . 2.970 2.418 2.256 2.592 . 0 0 "[ . 1 . 2]" 1
352 1 30 PHE H 1 30 PHE QD . . 3.220 2.189 1.891 3.299 0.079 6 0 "[ . 1 . 2]" 1
353 1 30 PHE H 1 31 SER H . . 4.180 2.737 2.509 2.975 . 0 0 "[ . 1 . 2]" 1
354 1 30 PHE H 1 33 ILE MD . . 4.460 4.102 3.345 5.997 1.537 5 1 "[ + 1 . 2]" 1
355 1 30 PHE HA 1 30 PHE QD . . 4.480 3.509 1.999 3.749 . 0 0 "[ . 1 . 2]" 1
356 1 30 PHE HA 1 32 ALA H . . 4.010 3.662 3.404 3.952 . 0 0 "[ . 1 . 2]" 1
357 1 30 PHE HA 1 33 ILE H . . 4.740 3.229 2.709 3.749 . 0 0 "[ . 1 . 2]" 1
358 1 30 PHE HA 1 33 ILE MD . . 3.240 2.354 1.800 4.096 0.856 5 1 "[ + 1 . 2]" 1
359 1 30 PHE HA 1 33 ILE QG . . 3.570 2.904 2.237 4.975 1.405 5 1 "[ + 1 . 2]" 1
360 1 30 PHE QB 1 31 SER HA . . 4.680 4.341 3.834 4.583 . 0 0 "[ . 1 . 2]" 1
361 1 30 PHE QB 1 33 ILE MD . . 3.880 3.561 2.722 4.918 1.038 5 1 "[ + 1 . 2]" 1
362 1 30 PHE QB 1 41 LEU H . . 4.660 7.427 5.521 9.079 4.419 11 20 [*-********+*********] 1
363 1 30 PHE QB 1 41 LEU QB . . 5.180 7.651 5.667 8.760 3.580 20 19 "[* **************-**+]" 1
364 1 31 SER H 1 31 SER HB2 . . 3.740 2.772 2.466 3.557 . 0 0 "[ . 1 . 2]" 1
365 1 31 SER H 1 31 SER QB . . 3.180 2.436 2.243 2.832 . 0 0 "[ . 1 . 2]" 1
366 1 31 SER H 1 31 SER HB3 . . 3.740 2.843 2.490 3.621 . 0 0 "[ . 1 . 2]" 1
367 1 31 SER H 1 32 ALA H . . 3.320 2.529 2.292 3.056 . 0 0 "[ . 1 . 2]" 1
368 1 31 SER H 1 32 ALA HA . . 5.160 5.099 4.887 5.327 0.167 11 0 "[ . 1 . 2]" 1
369 1 31 SER H 1 32 ALA MB . . 4.290 4.139 3.863 4.340 0.050 19 0 "[ . 1 . 2]" 1
370 1 31 SER H 1 33 ILE H . . 4.930 3.983 3.802 4.240 . 0 0 "[ . 1 . 2]" 1
371 1 31 SER HA 1 33 ILE H . . 4.660 4.189 3.824 4.583 . 0 0 "[ . 1 . 2]" 1
372 1 31 SER HA 1 41 LEU H . . 5.500 11.372 9.232 13.664 8.164 16 20 [***************+***-] 1
373 1 31 SER QB 1 32 ALA H . . 4.420 3.381 2.917 3.843 . 0 0 "[ . 1 . 2]" 1
374 1 32 ALA H 1 32 ALA MB . . 2.640 2.397 2.300 2.773 0.133 11 0 "[ . 1 . 2]" 1
375 1 32 ALA H 1 33 ILE H . . 3.020 2.004 1.754 2.273 . 0 0 "[ . 1 . 2]" 1
376 1 32 ALA H 1 33 ILE HB . . 5.330 4.276 3.753 4.590 . 0 0 "[ . 1 . 2]" 1
377 1 32 ALA H 1 33 ILE MD . . 4.450 4.680 4.319 5.834 1.384 5 1 "[ + 1 . 2]" 1
378 1 32 ALA HA 1 33 ILE QG . . 4.960 5.045 4.811 6.340 1.380 5 1 "[ + 1 . 2]" 1
379 1 32 ALA MB 1 33 ILE H . . 3.900 2.877 2.655 3.163 . 0 0 "[ . 1 . 2]" 1
380 1 32 ALA MB 1 61 ALA H . . 5.500 4.341 3.912 5.186 . 0 0 "[ . 1 . 2]" 1
381 1 32 ALA MB 1 61 ALA HA . . 3.990 1.992 1.705 2.851 . 0 0 "[ . 1 . 2]" 1
382 1 32 ALA MB 1 62 ASN H . . 4.350 2.949 2.030 3.989 . 0 0 "[ . 1 . 2]" 1
383 1 32 ALA MB 1 63 VAL QG . . 3.470 3.266 1.853 4.075 0.605 4 1 "[ +. 1 . 2]" 1
384 1 33 ILE H 1 33 ILE HB . . 3.100 2.548 2.455 2.651 . 0 0 "[ . 1 . 2]" 1
385 1 33 ILE H 1 33 ILE MD . . 3.960 3.619 3.488 4.367 0.407 5 0 "[ . 1 . 2]" 1
386 1 33 ILE H 1 33 ILE QG . . 2.890 2.193 1.890 3.960 1.070 5 1 "[ + 1 . 2]" 1
387 1 33 ILE H 1 33 ILE MG . . 3.990 3.692 2.156 3.787 . 0 0 "[ . 1 . 2]" 1
388 1 33 ILE H 1 34 GLN H . . 4.770 4.570 4.308 4.646 . 0 0 "[ . 1 . 2]" 1
389 1 33 ILE HA 1 33 ILE QG . . 3.490 2.446 2.285 2.522 . 0 0 "[ . 1 . 2]" 1
390 1 33 ILE HA 1 33 ILE MG . . 3.510 2.426 2.324 3.209 . 0 0 "[ . 1 . 2]" 1
391 1 33 ILE HA 1 34 GLN H . . 2.760 2.261 2.144 2.503 . 0 0 "[ . 1 . 2]" 1
392 1 33 ILE HA 1 34 GLN HA . . 4.540 4.374 4.270 4.432 . 0 0 "[ . 1 . 2]" 1
393 1 33 ILE HA 1 63 VAL HA . . 5.340 5.208 4.289 6.405 1.065 11 3 "[ - . 1+ . *2]" 1
394 1 33 ILE HA 1 63 VAL HB . . 3.630 2.599 1.763 3.690 0.060 11 0 "[ . 1 . 2]" 1
395 1 33 ILE HA 1 63 VAL MG1 . . 4.420 3.844 3.046 4.784 0.364 4 0 "[ . 1 . 2]" 1
396 1 33 ILE HA 1 63 VAL QG . . 3.730 2.711 2.272 3.138 . 0 0 "[ . 1 . 2]" 1
397 1 33 ILE HA 1 63 VAL MG2 . . 4.420 2.813 2.306 3.300 . 0 0 "[ . 1 . 2]" 1
398 1 33 ILE HB 1 41 LEU HA . . 4.620 7.954 6.132 9.575 4.955 16 20 [*-*************+****] 1
399 1 33 ILE HB 1 41 LEU QD . . 4.150 4.262 3.451 4.985 0.835 20 4 "[ . 1 * .* -+]" 1
400 1 33 ILE MD 1 33 ILE MG . . 3.090 1.930 1.855 1.978 . 0 0 "[ . 1 . 2]" 1
401 1 33 ILE MD 1 34 GLN H . . 5.500 4.908 3.665 5.452 . 0 0 "[ . 1 . 2]" 1
402 1 33 ILE MD 1 41 LEU H . . 4.440 4.153 3.004 5.350 0.910 16 3 "[ * . -1 .+ 2]" 1
403 1 33 ILE MD 1 41 LEU QB . . 3.560 3.658 1.865 4.640 1.080 16 7 "[ **.* *1- * .+ 2]" 1
404 1 33 ILE MD 1 41 LEU QD . . 4.660 2.657 1.518 4.096 . 0 0 "[ . 1 . 2]" 1
405 1 33 ILE MD 1 63 VAL QG . . 4.360 3.634 2.784 4.880 0.520 11 1 "[ . 1+ . 2]" 1
406 1 33 ILE QG 1 34 GLN H . . 4.590 4.029 1.908 4.368 . 0 0 "[ . 1 . 2]" 1
407 1 33 ILE MG 1 34 GLN H . . 3.190 2.460 1.781 3.217 0.027 7 0 "[ . 1 . 2]" 1
408 1 33 ILE MG 1 34 GLN HA . . 4.720 3.938 3.623 4.075 . 0 0 "[ . 1 . 2]" 1
409 1 33 ILE MG 1 41 LEU QB . . 4.280 3.961 2.272 4.916 0.636 16 2 "[ . - 1 .+ 2]" 1
410 1 33 ILE MG 1 41 LEU QD . . 3.610 2.195 1.778 3.282 . 0 0 "[ . 1 . 2]" 1
411 1 33 ILE MG 1 63 VAL H . . 5.100 4.878 3.413 6.228 1.128 5 3 "[ + 1* . -2]" 1
412 1 33 ILE MG 1 63 VAL QG . . 3.140 3.011 2.411 4.247 1.107 5 2 "[ + 1- . 2]" 1
413 1 34 GLN H 1 34 GLN QB . . 3.060 2.678 2.447 2.939 . 0 0 "[ . 1 . 2]" 1
414 1 34 GLN H 1 34 GLN QG . . 2.980 2.009 1.723 3.021 0.041 5 0 "[ . 1 . 2]" 1
415 1 34 GLN H 1 35 GLY H . . 4.690 4.027 2.663 4.610 . 0 0 "[ . 1 . 2]" 1
416 1 34 GLN H 1 63 VAL HA . . 5.500 5.442 4.764 6.279 0.779 11 1 "[ . 1+ . 2]" 1
417 1 34 GLN H 1 63 VAL HB . . 4.290 2.986 2.283 3.844 . 0 0 "[ . 1 . 2]" 1
418 1 34 GLN H 1 63 VAL QG . . 3.990 3.580 2.989 4.202 0.212 8 0 "[ . 1 . 2]" 1
419 1 34 GLN H 1 64 GLN HA . . 5.010 5.293 3.439 6.552 1.542 11 10 "[ * **** 1+ * -* *2]" 1
420 1 34 GLN HA 1 34 GLN QG . . 3.520 3.333 2.523 3.487 . 0 0 "[ . 1 . 2]" 1
421 1 34 GLN HA 1 35 GLY H . . 2.650 2.372 2.108 3.113 0.463 14 0 "[ . 1 . 2]" 1
422 1 34 GLN QB 1 35 GLY H . . 3.360 3.522 2.006 4.027 0.667 12 6 "[ * - 1 + ** * 2]" 1
423 1 34 GLN QB 1 64 GLN HA . . 4.580 4.415 2.839 5.745 1.165 16 6 "[ - .** 1* .+ * 2]" 1
424 1 34 GLN QE 1 41 LEU QD . . 4.030 3.696 1.775 5.959 1.929 1 4 "[+ .* - 1 .* 2]" 1
425 1 34 GLN QE 1 45 GLN QG . . 3.240 6.575 4.975 8.743 5.503 1 20 [+***-***************] 1
426 1 34 GLN QE 1 46 ALA H . . 5.340 9.625 7.559 11.474 6.134 16 20 [***************+**-*] 1
427 1 34 GLN QE 1 46 ALA MB . . 5.340 8.618 7.161 10.035 4.695 16 20 [***************+**-*] 1
428 1 34 GLN QE 1 47 VAL QG . . 4.170 4.291 2.337 5.329 1.159 1 8 "[+* .*** 1 * -* 2]" 1
429 1 34 GLN QE 1 65 LYS HA . . 4.300 4.100 2.061 5.062 0.762 12 1 "[ . 1 + . 2]" 1
430 1 34 GLN QE 1 65 LYS QB . . 3.850 3.544 2.063 4.162 0.312 16 0 "[ . 1 . 2]" 1
431 1 34 GLN QE 1 65 LYS QD . . 3.910 3.793 2.214 4.694 0.784 4 3 "[ +. * 1 - 2]" 1
432 1 34 GLN QE 1 65 LYS QE . . 4.490 3.739 2.597 4.957 0.467 20 0 "[ . 1 . 2]" 1
433 1 34 GLN QE 1 65 LYS QG . . 4.130 2.612 1.768 4.397 0.267 20 0 "[ . 1 . 2]" 1
434 1 34 GLN QE 1 66 ALA H . . 5.050 5.928 4.096 6.517 1.467 20 16 "[****.****1** -**** +]" 1
435 1 34 GLN QG 1 35 GLY H . . 4.200 4.229 3.002 4.835 0.635 18 2 "[ . 1 . -+ 2]" 1
436 1 34 GLN QG 1 45 GLN QE . . 5.040 8.845 6.349 11.116 6.076 16 20 [***********-***+****] 1
437 1 34 GLN QG 1 47 VAL HA . . 5.120 7.758 6.152 9.418 4.298 16 20 [***************+***-] 1
438 1 34 GLN QG 1 47 VAL QG . . 3.960 5.109 3.876 6.159 2.199 16 18 "[*********-** **+** *]" 1
439 1 34 GLN QG 1 63 VAL HB . . 5.100 3.542 2.516 4.571 . 0 0 "[ . 1 . 2]" 1
440 1 34 GLN QG 1 64 GLN HA . . 4.890 3.562 1.943 4.971 0.081 13 0 "[ . 1 . 2]" 1
441 1 34 GLN QG 1 65 LYS QE . . 4.650 4.937 2.295 6.580 1.930 20 11 "[ - *. ****** * *+]" 1
442 1 35 GLY QA 1 36 ASP H . . 2.920 2.399 2.088 2.875 . 0 0 "[ . 1 . 2]" 1
443 1 35 GLY QA 1 36 ASP QB . . 5.340 4.229 3.793 4.655 . 0 0 "[ . 1 . 2]" 1
444 1 36 ASP H 1 36 ASP HA . . 2.860 2.888 2.813 2.950 0.090 8 0 "[ . 1 . 2]" 1
445 1 36 ASP HA 1 37 GLY QA . . 4.610 3.932 3.884 4.270 . 0 0 "[ . 1 . 2]" 1
446 1 37 GLY QA 1 38 PHE H . . 3.180 2.355 2.104 2.851 . 0 0 "[ . 1 . 2]" 1
447 1 37 GLY QA 1 38 PHE HA . . 4.960 4.004 3.927 4.083 . 0 0 "[ . 1 . 2]" 1
448 1 38 PHE H 1 38 PHE QB . . 3.060 2.677 2.414 3.218 0.158 15 0 "[ . 1 . 2]" 1
449 1 38 PHE H 1 39 LYS H . . 4.620 4.005 2.491 4.482 . 0 0 "[ . 1 . 2]" 1
450 1 38 PHE H 1 39 LYS HA . . 5.500 4.778 4.288 5.111 . 0 0 "[ . 1 . 2]" 1
451 1 38 PHE HA 1 39 LYS H . . 2.870 2.273 2.141 3.074 0.204 3 0 "[ . 1 . 2]" 1
452 1 38 PHE HA 1 39 LYS QD . . 4.090 4.128 2.800 5.901 1.811 8 6 "[ . +-* * *. * 2]" 1
453 1 39 LYS H 1 39 LYS QB . . 3.040 2.442 2.126 2.634 . 0 0 "[ . 1 . 2]" 1
454 1 39 LYS H 1 39 LYS QD . . 4.160 3.035 1.762 4.319 0.159 14 0 "[ . 1 . 2]" 1
455 1 39 LYS HA 1 39 LYS QD . . 4.300 2.813 1.980 4.248 . 0 0 "[ . 1 . 2]" 1
456 1 40 SER QB 1 41 LEU H . . 3.760 3.130 2.281 3.763 0.003 19 0 "[ . 1 . 2]" 1
457 1 40 SER HB2 1 41 LEU H . . 4.450 3.717 2.307 4.378 . 0 0 "[ . 1 . 2]" 1
458 1 40 SER HB3 1 41 LEU H . . 4.450 3.635 2.501 4.459 0.009 19 0 "[ . 1 . 2]" 1
459 1 41 LEU H 1 41 LEU QD . . 5.030 2.843 2.032 3.688 . 0 0 "[ . 1 . 2]" 1
460 1 41 LEU H 1 41 LEU HG . . 4.740 3.637 2.296 4.608 . 0 0 "[ . 1 . 2]" 1
461 1 41 LEU H 1 42 ASP H . . 4.760 4.398 3.834 4.599 . 0 0 "[ . 1 . 2]" 1
462 1 41 LEU HA 1 41 LEU QD . . 3.090 1.986 1.835 2.691 . 0 0 "[ . 1 . 2]" 1
463 1 41 LEU HA 1 41 LEU HG . . 3.870 3.307 2.446 3.718 . 0 0 "[ . 1 . 2]" 1
464 1 41 LEU HA 1 42 ASP H . . 2.790 2.206 2.114 2.375 . 0 0 "[ . 1 . 2]" 1
465 1 41 LEU HA 1 42 ASP QB . . 4.710 4.251 3.898 4.638 . 0 0 "[ . 1 . 2]" 1
466 1 41 LEU QB 1 41 LEU QD . . 2.850 1.999 1.931 2.072 . 0 0 "[ . 1 . 2]" 1
467 1 41 LEU QB 1 42 ASP H . . 3.200 3.158 2.401 3.819 0.619 11 3 "[ . 1+- . *2]" 1
468 1 41 LEU QB 1 45 GLN QG . . 5.050 4.379 2.610 5.644 0.594 2 2 "[ + . - 1 . 2]" 1
469 1 41 LEU QD 1 42 ASP H . . 3.400 3.330 2.199 4.151 0.751 16 3 "[ * 1- .+ 2]" 1
470 1 41 LEU QD 1 45 GLN QE . . 4.860 4.899 3.510 6.599 1.739 4 6 "[** +. 1- ** 2]" 1
471 1 41 LEU QD 1 45 GLN QG . . 3.830 3.403 1.801 5.022 1.192 16 5 "[* *. * 1 -+ 2]" 1
472 1 41 LEU QD 1 47 VAL QG . . 3.530 2.242 1.768 2.844 . 0 0 "[ . 1 . 2]" 1
473 1 41 LEU HG 1 42 ASP H . . 4.470 4.813 2.481 5.539 1.069 10 11 "[* . ***+* * * *-*2]" 1
474 1 41 LEU HG 1 47 VAL HB . . 5.320 5.989 4.568 8.070 2.750 1 9 "[+ *. ** 1* * **-]" 1
475 1 41 LEU HG 1 47 VAL QG . . 3.230 3.594 2.320 5.165 1.935 1 9 "[+ *. ** 1* * **-]" 1
476 1 42 ASP H 1 42 ASP QB . . 2.910 2.363 2.229 2.564 . 0 0 "[ . 1 . 2]" 1
477 1 42 ASP H 1 43 GLU H . . 4.410 4.532 4.320 4.627 0.217 13 0 "[ . 1 . 2]" 1
478 1 42 ASP H 1 43 GLU HA . . 5.250 5.470 4.908 5.776 0.526 19 1 "[ . 1 . +2]" 1
479 1 42 ASP H 1 45 GLN H . . 4.540 4.904 4.367 5.437 0.897 7 10 "[** -. + 1** * * **]" 1
480 1 42 ASP H 1 45 GLN HA . . 5.500 5.957 4.978 6.542 1.042 16 11 "[** *. * 1** *+* *-]" 1
481 1 42 ASP H 1 45 GLN HB2 . . 3.750 3.584 2.512 4.495 0.745 16 3 "[* -. 1 .+ 2]" 1
482 1 42 ASP H 1 45 GLN HB3 . . 4.190 3.565 2.822 4.362 0.172 19 0 "[ . 1 . 2]" 1
483 1 42 ASP HA 1 43 GLU H . . 2.570 2.206 2.099 2.429 . 0 0 "[ . 1 . 2]" 1
484 1 42 ASP HA 1 43 GLU HA . . 4.950 4.339 4.235 4.391 . 0 0 "[ . 1 . 2]" 1
485 1 42 ASP HA 1 43 GLU QB . . 4.740 4.525 4.360 4.780 0.040 6 0 "[ . 1 . 2]" 1
486 1 42 ASP QB 1 43 GLU H . . 3.550 3.294 2.061 3.868 0.318 1 0 "[ . 1 . 2]" 1
487 1 42 ASP QB 1 45 GLN H . . 4.410 3.790 2.861 4.580 0.170 19 0 "[ . 1 . 2]" 1
488 1 42 ASP QB 1 45 GLN HB3 . . 4.350 3.393 2.461 5.204 0.854 19 1 "[ . 1 . +2]" 1
489 1 42 ASP HB2 1 43 GLU H . . 4.250 4.081 3.464 4.378 0.128 7 0 "[ . 1 . 2]" 1
490 1 42 ASP HB3 1 43 GLU H . . 4.250 3.537 2.077 4.327 0.077 1 0 "[ . 1 . 2]" 1
491 1 43 GLU H 1 43 GLU QB . . 2.970 2.624 2.387 2.961 . 0 0 "[ . 1 . 2]" 1
492 1 43 GLU H 1 43 GLU QG . . 4.470 2.101 1.713 3.250 . 0 0 "[ . 1 . 2]" 1
493 1 43 GLU H 1 44 GLY H . . 4.690 4.473 4.118 4.610 . 0 0 "[ . 1 . 2]" 1
494 1 43 GLU H 1 45 GLN H . . 4.870 4.604 4.336 4.765 . 0 0 "[ . 1 . 2]" 1
495 1 43 GLU HA 1 44 GLY H . . 2.700 2.147 2.092 2.220 . 0 0 "[ . 1 . 2]" 1
496 1 43 GLU HA 1 45 GLN H . . 3.530 3.319 3.178 3.497 . 0 0 "[ . 1 . 2]" 1
497 1 43 GLU QB 1 44 GLY H . . 4.480 3.255 2.790 3.608 . 0 0 "[ . 1 . 2]" 1
498 1 43 GLU QG 1 44 GLY H . . 4.010 4.346 4.062 4.903 0.893 6 3 "[ .+ 1 * .- 2]" 1
499 1 44 GLY H 1 45 GLN H . . 3.480 2.309 1.813 2.705 . 0 0 "[ . 1 . 2]" 1
500 1 44 GLY H 1 45 GLN HA . . 5.020 4.926 4.539 5.154 0.134 2 0 "[ . 1 . 2]" 1
501 1 44 GLY H 1 45 GLN HB3 . . 5.010 4.526 3.947 5.251 0.241 19 0 "[ . 1 . 2]" 1
502 1 45 GLN H 1 45 GLN HB2 . . 2.940 2.657 2.320 2.858 . 0 0 "[ . 1 . 2]" 1
503 1 45 GLN H 1 45 GLN HB3 . . 2.950 2.497 2.350 2.990 0.040 19 0 "[ . 1 . 2]" 1
504 1 45 GLN H 1 45 GLN QG . . 4.090 4.011 3.898 4.065 . 0 0 "[ . 1 . 2]" 1
505 1 45 GLN H 1 46 ALA H . . 4.630 4.530 4.407 4.601 . 0 0 "[ . 1 . 2]" 1
506 1 45 GLN H 1 47 VAL QG . . 5.200 4.799 4.303 5.229 0.029 6 0 "[ . 1 . 2]" 1
507 1 45 GLN HA 1 45 GLN QG . . 3.800 2.891 2.342 3.070 . 0 0 "[ . 1 . 2]" 1
508 1 45 GLN HA 1 46 ALA H . . 2.530 2.187 2.135 2.285 . 0 0 "[ . 1 . 2]" 1
509 1 45 GLN HA 1 46 ALA MB . . 4.000 3.998 3.944 4.057 0.057 2 0 "[ . 1 . 2]" 1
510 1 45 GLN HB2 1 45 GLN QG . . 2.720 2.337 2.163 2.384 . 0 0 "[ . 1 . 2]" 1
511 1 45 GLN HB2 1 46 ALA H . . 4.270 4.184 4.032 4.482 0.212 19 0 "[ . 1 . 2]" 1
512 1 45 GLN HB3 1 46 ALA H . . 4.270 4.091 3.811 4.301 0.031 14 0 "[ . 1 . 2]" 1
513 1 45 GLN QG 1 46 ALA H . . 3.630 2.887 2.349 3.673 0.043 19 0 "[ . 1 . 2]" 1
514 1 45 GLN QG 1 47 VAL H . . 4.830 4.534 3.653 6.021 1.191 19 1 "[ . 1 . +2]" 1
515 1 45 GLN QG 1 47 VAL HA . . 5.500 4.275 3.488 5.890 0.390 19 0 "[ . 1 . 2]" 1
516 1 45 GLN QG 1 47 VAL QG . . 3.870 2.430 1.929 3.812 . 0 0 "[ . 1 . 2]" 1
517 1 46 ALA H 1 46 ALA MB . . 2.650 2.304 2.242 2.370 . 0 0 "[ . 1 . 2]" 1
518 1 46 ALA H 1 47 VAL H . . 4.490 4.442 3.992 4.575 0.085 4 0 "[ . 1 . 2]" 1
519 1 46 ALA H 1 47 VAL QG . . 4.600 4.045 3.780 4.186 . 0 0 "[ . 1 . 2]" 1
520 1 46 ALA H 1 66 ALA MB . . 4.910 4.598 4.144 5.384 0.474 11 0 "[ . 1 . 2]" 1
521 1 46 ALA HA 1 47 VAL H . . 2.600 2.160 2.115 2.251 . 0 0 "[ . 1 . 2]" 1
522 1 46 ALA HA 1 47 VAL QG . . 4.060 3.271 3.157 3.453 . 0 0 "[ . 1 . 2]" 1
523 1 46 ALA HA 1 66 ALA MB . . 4.520 4.697 3.900 5.428 0.908 11 2 "[ . 1+ . -2]" 1
524 1 46 ALA MB 1 47 VAL H . . 3.360 3.105 2.861 3.594 0.234 2 0 "[ . 1 . 2]" 1
525 1 46 ALA MB 1 47 VAL HA . . 4.090 4.104 3.963 4.363 0.273 2 0 "[ . 1 . 2]" 1
526 1 46 ALA MB 1 66 ALA H . . 3.710 4.688 3.750 5.972 2.262 16 12 "[** *****1 * -+ **2]" 1
527 1 47 VAL H 1 47 VAL QG . . 2.920 2.108 1.813 2.249 . 0 0 "[ . 1 . 2]" 1
528 1 47 VAL H 1 48 THR H . . 4.420 4.437 4.354 4.548 0.128 2 0 "[ . 1 . 2]" 1
529 1 47 VAL H 1 48 THR MG . . 5.010 4.818 4.585 5.304 0.294 2 0 "[ . 1 . 2]" 1
530 1 47 VAL H 1 65 LYS HA . . 5.500 5.666 4.601 6.576 1.076 16 6 "[- .*** 1 * .+ 2]" 1
531 1 47 VAL H 1 66 ALA H . . 4.960 5.145 4.516 6.399 1.439 7 6 "[ .*+- 1 * .* * 2]" 1
532 1 47 VAL H 1 66 ALA MB . . 4.340 4.210 3.215 4.804 0.464 19 0 "[ . 1 . 2]" 1
533 1 47 VAL HA 1 47 VAL QG . . 3.170 2.272 2.252 2.321 . 0 0 "[ . 1 . 2]" 1
534 1 47 VAL HA 1 48 THR H . . 2.780 2.370 2.198 2.619 . 0 0 "[ . 1 . 2]" 1
535 1 47 VAL HA 1 63 VAL QG . . 4.760 4.479 3.891 5.414 0.654 16 1 "[ . 1 .+ 2]" 1
536 1 47 VAL HA 1 64 GLN H . . 4.700 5.555 4.462 6.278 1.578 6 17 "[** *+***- *********]" 1
537 1 47 VAL HA 1 65 LYS HA . . 3.430 3.011 1.812 4.139 0.709 16 2 "[ .- 1 .+ 2]" 1
538 1 47 VAL HA 1 66 ALA H . . 3.100 2.658 2.144 3.727 0.627 7 1 "[ . + 1 . 2]" 1
539 1 47 VAL HA 1 66 ALA MB . . 3.670 2.732 2.044 3.489 . 0 0 "[ . 1 . 2]" 1
540 1 47 VAL HB 1 48 THR H . . 3.050 2.441 1.881 2.900 . 0 0 "[ . 1 . 2]" 1
541 1 47 VAL HB 1 49 PHE QD . . 5.140 3.883 3.155 4.625 . 0 0 "[ . 1 . 2]" 1
542 1 47 VAL HB 1 63 VAL QG . . 3.440 2.500 2.035 3.435 . 0 0 "[ . 1 . 2]" 1
543 1 47 VAL HB 1 64 GLN H . . 3.960 4.022 3.420 4.460 0.500 16 1 "[ . 1 .+ 2]" 1
544 1 47 VAL HB 1 65 LYS HA . . 4.360 3.377 2.855 3.984 . 0 0 "[ . 1 . 2]" 1
545 1 47 VAL HB 1 66 ALA H . . 4.960 4.404 3.429 5.095 0.135 18 0 "[ . 1 . 2]" 1
546 1 47 VAL QG 1 48 THR H . . 3.910 3.163 2.882 3.368 . 0 0 "[ . 1 . 2]" 1
547 1 47 VAL QG 1 48 THR HA . . 4.660 3.836 3.522 4.016 . 0 0 "[ . 1 . 2]" 1
548 1 47 VAL QG 1 49 PHE QD . . 3.280 2.052 1.652 2.889 . 0 0 "[ . 1 . 2]" 1
549 1 47 VAL QG 1 65 LYS HA . . 3.430 2.323 1.793 2.939 . 0 0 "[ . 1 . 2]" 1
550 1 47 VAL QG 1 66 ALA H . . 3.810 3.049 2.069 3.783 . 0 0 "[ . 1 . 2]" 1
551 1 48 THR H 1 48 THR HB . . 3.980 3.698 3.629 3.771 . 0 0 "[ . 1 . 2]" 1
552 1 48 THR H 1 48 THR HG1 . . 3.620 2.451 1.865 3.619 . 0 0 "[ . 1 . 2]" 1
553 1 48 THR H 1 48 THR MG . . 4.440 2.933 2.599 3.240 . 0 0 "[ . 1 . 2]" 1
554 1 48 THR H 1 49 PHE H . . 4.770 4.252 3.995 4.470 . 0 0 "[ . 1 . 2]" 1
555 1 48 THR H 1 49 PHE QD . . 5.450 4.519 4.083 4.935 . 0 0 "[ . 1 . 2]" 1
556 1 48 THR H 1 63 VAL HA . . 4.670 4.878 4.564 5.216 0.546 16 1 "[ . 1 .+ 2]" 1
557 1 48 THR H 1 63 VAL QG . . 3.590 3.861 3.359 4.498 0.908 16 4 "[ - . 1 *+ * 2]" 1
558 1 48 THR H 1 64 GLN H . . 3.590 3.556 2.977 4.017 0.427 6 0 "[ . 1 . 2]" 1
559 1 48 THR H 1 64 GLN HA . . 4.700 4.909 4.537 5.283 0.583 16 2 "[ .- 1 .+ 2]" 1
560 1 48 THR H 1 64 GLN HB2 . . 5.330 4.273 3.404 5.572 0.242 5 0 "[ . 1 . 2]" 1
561 1 48 THR H 1 64 GLN HB3 . . 4.380 4.327 3.046 5.140 0.760 16 5 "[* . - 1 **.+ 2]" 1
562 1 48 THR H 1 65 LYS HA . . 4.160 3.534 2.762 4.141 . 0 0 "[ . 1 . 2]" 1
563 1 48 THR H 1 66 ALA H . . 4.130 3.907 3.402 4.917 0.787 7 1 "[ . + 1 . 2]" 1
564 1 48 THR H 1 66 ALA MB . . 4.220 3.446 2.688 4.083 . 0 0 "[ . 1 . 2]" 1
565 1 48 THR HA 1 48 THR MG . . 3.350 2.288 2.220 2.364 . 0 0 "[ . 1 . 2]" 1
566 1 48 THR HA 1 49 PHE H . . 2.770 2.153 2.099 2.400 . 0 0 "[ . 1 . 2]" 1
567 1 48 THR HA 1 49 PHE QD . . 4.330 3.651 3.248 3.976 . 0 0 "[ . 1 . 2]" 1
568 1 48 THR HA 1 63 VAL QG . . 5.170 4.834 4.540 5.485 0.315 16 0 "[ . 1 . 2]" 1
569 1 48 THR HA 1 64 GLN H . . 5.350 4.886 4.600 5.161 . 0 0 "[ . 1 . 2]" 1
570 1 48 THR HB 1 49 PHE H . . 3.420 3.481 2.548 3.822 0.402 13 0 "[ . 1 . 2]" 1
571 1 48 THR HB 1 64 GLN H . . 5.340 4.677 4.269 5.333 . 0 0 "[ . 1 . 2]" 1
572 1 48 THR HG1 1 49 PHE H . . 4.360 4.810 4.295 5.551 1.191 20 9 "[ * *. **-* . ** +]" 1
573 1 48 THR HG1 1 64 GLN H . . 4.790 3.645 2.574 4.859 0.069 9 0 "[ . 1 . 2]" 1
574 1 48 THR MG 1 66 ALA HA . . 4.460 3.651 2.494 5.335 0.875 2 2 "[ + . 1- . 2]" 1
575 1 48 THR MG 1 66 ALA MB . . 2.910 2.348 1.573 2.918 0.008 1 0 "[ . 1 . 2]" 1
576 1 49 PHE H 1 49 PHE QD . . 3.320 2.857 2.595 3.252 . 0 0 "[ . 1 . 2]" 1
577 1 49 PHE H 1 50 ASP H . . 4.580 4.464 4.323 4.544 . 0 0 "[ . 1 . 2]" 1
578 1 49 PHE HA 1 49 PHE QD . . 4.420 3.726 3.714 3.735 . 0 0 "[ . 1 . 2]" 1
579 1 49 PHE HA 1 50 ASP H . . 3.100 2.363 2.246 2.453 . 0 0 "[ . 1 . 2]" 1
580 1 49 PHE HA 1 50 ASP HA . . 4.580 4.394 4.353 4.442 . 0 0 "[ . 1 . 2]" 1
581 1 49 PHE HA 1 63 VAL HA . . 3.820 2.266 1.973 2.532 . 0 0 "[ . 1 . 2]" 1
582 1 49 PHE HA 1 63 VAL QG . . 4.230 3.190 2.455 3.523 . 0 0 "[ . 1 . 2]" 1
583 1 49 PHE HA 1 64 GLN H . . 4.250 2.910 2.532 3.483 . 0 0 "[ . 1 . 2]" 1
584 1 49 PHE QB 1 50 ASP H . . 3.160 2.527 2.295 2.881 . 0 0 "[ . 1 . 2]" 1
585 1 49 PHE QB 1 50 ASP QB . . 4.660 4.372 4.125 4.634 . 0 0 "[ . 1 . 2]" 1
586 1 49 PHE QB 1 60 ALA MB . . 3.990 2.643 2.093 3.312 . 0 0 "[ . 1 . 2]" 1
587 1 49 PHE QB 1 61 ALA H . . 4.010 3.707 3.345 4.188 0.178 17 0 "[ . 1 . 2]" 1
588 1 49 PHE QB 1 63 VAL H . . 4.890 4.521 4.121 4.976 0.086 17 0 "[ . 1 . 2]" 1
589 1 49 PHE QB 1 63 VAL HA . . 3.720 2.455 1.964 3.063 . 0 0 "[ . 1 . 2]" 1
590 1 49 PHE QB 1 63 VAL MG1 . . 4.570 2.291 1.773 2.830 . 0 0 "[ . 1 . 2]" 1
591 1 49 PHE QB 1 63 VAL QG . . 3.370 1.952 1.621 2.513 . 0 0 "[ . 1 . 2]" 1
592 1 49 PHE QB 1 63 VAL MG2 . . 4.570 2.132 1.798 2.812 . 0 0 "[ . 1 . 2]" 1
593 1 49 PHE QB 1 64 GLN H . . 4.300 3.763 3.324 4.397 0.097 17 0 "[ . 1 . 2]" 1
594 1 49 PHE QD 1 60 ALA MB . . 3.760 3.194 2.833 3.905 0.145 5 0 "[ . 1 . 2]" 1
595 1 49 PHE QD 1 63 VAL MG1 . . 4.450 3.242 2.626 4.130 . 0 0 "[ . 1 . 2]" 1
596 1 49 PHE QD 1 63 VAL QG . . 3.860 3.069 2.542 3.844 . 0 0 "[ . 1 . 2]" 1
597 1 49 PHE QD 1 63 VAL MG2 . . 4.450 3.823 3.391 4.581 0.131 16 0 "[ . 1 . 2]" 1
598 1 50 ASP H 1 50 ASP QB . . 3.680 2.408 2.284 2.519 . 0 0 "[ . 1 . 2]" 1
599 1 50 ASP H 1 60 ALA HA . . 5.430 4.844 4.515 5.166 . 0 0 "[ . 1 . 2]" 1
600 1 50 ASP H 1 60 ALA MB . . 5.230 4.600 4.075 5.211 . 0 0 "[ . 1 . 2]" 1
601 1 50 ASP H 1 61 ALA H . . 3.600 3.731 3.513 4.106 0.506 1 1 "[+ . 1 . 2]" 1
602 1 50 ASP H 1 61 ALA MB . . 4.500 4.420 4.229 4.642 0.142 8 0 "[ . 1 . 2]" 1
603 1 50 ASP H 1 62 ASN HB2 . . 4.540 2.951 2.556 3.429 . 0 0 "[ . 1 . 2]" 1
604 1 50 ASP H 1 62 ASN QB . . 3.770 2.885 2.529 3.329 . 0 0 "[ . 1 . 2]" 1
605 1 50 ASP H 1 62 ASN HB3 . . 4.540 4.115 3.784 4.507 . 0 0 "[ . 1 . 2]" 1
606 1 50 ASP H 1 63 VAL HA . . 4.060 3.758 3.442 4.034 . 0 0 "[ . 1 . 2]" 1
607 1 50 ASP H 1 63 VAL QG . . 4.660 3.795 3.173 4.129 . 0 0 "[ . 1 . 2]" 1
608 1 50 ASP HA 1 51 VAL H . . 2.810 2.213 2.111 2.443 . 0 0 "[ . 1 . 2]" 1
609 1 50 ASP QB 1 51 VAL H . . 4.100 3.571 2.670 3.987 . 0 0 "[ . 1 . 2]" 1
610 1 50 ASP QB 1 52 GLU H . . 5.500 5.191 4.774 5.799 0.299 7 0 "[ . 1 . 2]" 1
611 1 50 ASP QB 1 61 ALA H . . 4.880 3.845 3.491 4.199 . 0 0 "[ . 1 . 2]" 1
612 1 50 ASP QB 1 61 ALA MB . . 4.080 3.335 2.953 3.731 . 0 0 "[ . 1 . 2]" 1
613 1 51 VAL H 1 51 VAL HB . . 3.540 2.673 2.507 3.087 . 0 0 "[ . 1 . 2]" 1
614 1 51 VAL H 1 51 VAL MG1 . . 3.860 2.791 1.816 3.833 . 0 0 "[ . 1 . 2]" 1
615 1 51 VAL H 1 51 VAL QG . . 3.080 2.111 1.812 2.574 . 0 0 "[ . 1 . 2]" 1
616 1 51 VAL H 1 51 VAL MG2 . . 3.860 3.131 2.048 3.849 . 0 0 "[ . 1 . 2]" 1
617 1 51 VAL H 1 52 GLU H . . 4.720 4.392 4.180 4.558 . 0 0 "[ . 1 . 2]" 1
618 1 51 VAL HA 1 51 VAL MG1 . . 3.290 2.848 2.378 3.220 . 0 0 "[ . 1 . 2]" 1
619 1 51 VAL HA 1 51 VAL MG2 . . 3.290 2.385 2.280 2.434 . 0 0 "[ . 1 . 2]" 1
620 1 51 VAL HA 1 52 GLU H . . 2.790 2.120 2.071 2.161 . 0 0 "[ . 1 . 2]" 1
621 1 51 VAL HB 1 52 GLU H . . 4.410 4.258 4.115 4.395 . 0 0 "[ . 1 . 2]" 1
622 1 51 VAL QG 1 52 GLU H . . 3.160 2.810 2.327 3.075 . 0 0 "[ . 1 . 2]" 1
623 1 51 VAL QG 1 58 PRO QB . . 3.160 2.521 1.948 3.289 0.129 6 0 "[ . 1 . 2]" 1
624 1 51 VAL QG 1 59 GLN H . . 4.190 3.457 2.881 4.102 . 0 0 "[ . 1 . 2]" 1
625 1 51 VAL QG 1 61 ALA H . . 5.170 4.618 4.000 5.131 . 0 0 "[ . 1 . 2]" 1
626 1 51 VAL MG1 1 52 GLU H . . 4.390 3.565 2.609 4.225 . 0 0 "[ . 1 . 2]" 1
627 1 51 VAL MG2 1 52 GLU H . . 4.390 3.379 2.353 4.177 . 0 0 "[ . 1 . 2]" 1
628 1 52 GLU H 1 52 GLU HB3 . . 3.670 2.947 2.368 3.778 0.108 1 0 "[ . 1 . 2]" 1
629 1 52 GLU H 1 53 GLU H . . 4.530 4.404 4.136 4.558 0.028 16 0 "[ . 1 . 2]" 1
630 1 52 GLU H 1 61 ALA MB . . 5.010 3.873 3.139 4.406 . 0 0 "[ . 1 . 2]" 1
631 1 52 GLU HA 1 52 GLU HG2 . . 4.010 3.074 2.310 3.866 . 0 0 "[ . 1 . 2]" 1
632 1 52 GLU HA 1 52 GLU QG . . 3.510 2.614 2.284 3.087 . 0 0 "[ . 1 . 2]" 1
633 1 52 GLU HA 1 52 GLU HG3 . . 4.010 3.133 2.449 3.808 . 0 0 "[ . 1 . 2]" 1
634 1 52 GLU HA 1 53 GLU H . . 3.530 2.249 2.136 2.478 . 0 0 "[ . 1 . 2]" 1
635 1 52 GLU HB2 1 61 ALA MB . . 4.170 2.810 1.841 4.232 0.062 2 0 "[ . 1 . 2]" 1
636 1 52 GLU HB3 1 52 GLU QG . . 2.420 2.310 2.158 2.433 0.013 13 0 "[ . 1 . 2]" 1
637 1 52 GLU HB3 1 53 GLU H . . 3.850 3.686 2.280 4.480 0.630 5 3 "[ + *1 -. 2]" 1
638 1 53 GLU H 1 53 GLU QB . . 2.880 2.610 2.211 3.164 0.284 7 0 "[ . 1 . 2]" 1
639 1 53 GLU H 1 53 GLU QG . . 4.320 2.467 1.792 4.050 . 0 0 "[ . 1 . 2]" 1
640 1 53 GLU H 1 54 GLY H . . 4.630 4.332 4.053 4.607 . 0 0 "[ . 1 . 2]" 1
641 1 53 GLU H 1 54 GLY QA . . 5.240 4.745 4.399 5.125 . 0 0 "[ . 1 . 2]" 1
642 1 53 GLU HA 1 54 GLY H . . 2.620 2.202 2.107 2.610 . 0 0 "[ . 1 . 2]" 1
643 1 53 GLU HA 1 57 GLY H . . 5.500 5.348 4.286 6.546 1.046 1 2 "[+ . -1 . 2]" 1
644 1 53 GLU HA 1 57 GLY QA . . 4.640 5.032 3.425 6.763 2.123 1 9 "[+* .- *1* ** **]" 1
645 1 53 GLU HA 1 58 PRO HA . . 3.120 3.009 2.155 4.327 1.207 19 2 "[- . 1 . +2]" 1
646 1 53 GLU HA 1 59 GLN H . . 3.810 3.396 2.495 4.008 0.198 1 0 "[ . 1 . 2]" 1
647 1 53 GLU QB 1 53 GLU QG . . 2.270 2.063 1.995 2.087 . 0 0 "[ . 1 . 2]" 1
648 1 53 GLU QB 1 54 GLY H . . 4.320 3.281 2.082 3.775 . 0 0 "[ . 1 . 2]" 1
649 1 53 GLU QG 1 54 GLY H . . 3.910 4.104 2.497 4.774 0.864 20 6 "[ *- 1* *.* +]" 1
650 1 54 GLY H 1 55 GLN H . . 4.690 4.270 3.599 4.573 . 0 0 "[ . 1 . 2]" 1
651 1 54 GLY H 1 56 ARG H . . 4.440 4.434 3.274 5.353 0.913 1 3 "[+ . * .- 2]" 1
652 1 54 GLY H 1 57 GLY H . . 3.820 3.689 3.096 5.365 1.545 9 3 "[* . +1 . -]" 1
653 1 54 GLY H 1 57 GLY QA . . 3.670 4.202 3.295 5.350 1.680 1 10 "[+* .* *1* -** **]" 1
654 1 54 GLY H 1 59 GLN H . . 4.220 3.753 2.843 5.214 0.994 7 1 "[ . + 1 . 2]" 1
655 1 54 GLY QA 1 58 PRO HA . . 5.130 5.220 3.604 6.411 1.281 5 8 "[ **+ ** 1 - . **2]" 1
656 1 55 GLN H 1 55 GLN HA . . 2.940 2.864 2.786 2.933 . 0 0 "[ . 1 . 2]" 1
657 1 55 GLN H 1 55 GLN HB2 . . 3.150 2.665 2.379 3.621 0.471 6 0 "[ . 1 . 2]" 1
658 1 55 GLN H 1 55 GLN QB . . 2.690 2.423 2.228 2.874 0.184 12 0 "[ . 1 . 2]" 1
659 1 55 GLN H 1 55 GLN HB3 . . 3.150 3.171 2.447 3.668 0.518 2 1 "[ + . 1 . 2]" 1
660 1 55 GLN H 1 55 GLN QG . . 3.940 2.851 1.788 4.050 0.110 5 0 "[ . 1 . 2]" 1
661 1 55 GLN H 1 56 ARG H . . 3.470 2.809 2.110 3.942 0.472 19 0 "[ . 1 . 2]" 1
662 1 55 GLN H 1 57 GLY H . . 4.720 4.243 3.453 5.394 0.674 9 1 "[ . +1 . 2]" 1
663 1 55 GLN HA 1 56 ARG H . . 3.520 3.184 2.236 3.538 0.018 18 0 "[ . 1 . 2]" 1
664 1 55 GLN HA 1 56 ARG HA . . 4.800 4.490 4.200 4.698 . 0 0 "[ . 1 . 2]" 1
665 1 55 GLN HA 1 56 ARG QB . . 5.340 5.152 4.608 5.535 0.195 3 0 "[ . 1 . 2]" 1
666 1 55 GLN QB 1 56 ARG H . . 3.430 3.272 2.628 4.004 0.574 5 2 "[ +- 1 . 2]" 1
667 1 55 GLN QG 1 56 ARG H . . 4.440 4.070 2.580 4.835 0.395 14 0 "[ . 1 . 2]" 1
668 1 56 ARG H 1 56 ARG QB . . 3.040 2.743 2.281 3.470 0.430 14 0 "[ . 1 . 2]" 1
669 1 56 ARG H 1 56 ARG QG . . 4.130 2.978 2.225 4.096 . 0 0 "[ . 1 . 2]" 1
670 1 56 ARG H 1 57 GLY H . . 3.010 2.305 1.746 3.765 0.755 9 1 "[ . +1 . 2]" 1
671 1 56 ARG HA 1 56 ARG QG . . 3.470 2.832 2.334 3.368 . 0 0 "[ . 1 . 2]" 1
672 1 56 ARG QB 1 57 GLY H . . 4.300 3.521 2.755 4.017 . 0 0 "[ . 1 . 2]" 1
673 1 57 GLY H 1 58 PRO QD . . 4.750 4.293 4.047 4.389 . 0 0 "[ . 1 . 2]" 1
674 1 58 PRO HA 1 59 GLN H . . 2.760 2.171 2.124 2.231 . 0 0 "[ . 1 . 2]" 1
675 1 58 PRO QB 1 59 GLN H . . 3.750 3.474 2.992 3.721 . 0 0 "[ . 1 . 2]" 1
676 1 58 PRO HB2 1 59 GLN H . . 4.370 3.762 3.134 4.136 . 0 0 "[ . 1 . 2]" 1
677 1 58 PRO HB3 1 59 GLN H . . 4.370 4.102 3.757 4.360 . 0 0 "[ . 1 . 2]" 1
678 1 58 PRO QD 1 59 GLN H . . 4.960 4.818 4.553 4.988 0.028 6 0 "[ . 1 . 2]" 1
679 1 59 GLN H 1 59 GLN QB . . 3.610 2.661 2.286 3.050 . 0 0 "[ . 1 . 2]" 1
680 1 59 GLN HA 1 59 GLN QE . . 4.570 4.502 3.317 5.014 0.444 3 0 "[ . 1 . 2]" 1
681 1 59 GLN HA 1 60 ALA H . . 2.860 2.233 2.132 2.502 . 0 0 "[ . 1 . 2]" 1
682 1 59 GLN HA 1 60 ALA MB . . 4.410 3.958 3.840 4.069 . 0 0 "[ . 1 . 2]" 1
683 1 59 GLN QB 1 60 ALA H . . 3.420 3.069 2.347 3.942 0.522 1 1 "[+ . 1 . 2]" 1
684 1 59 GLN HB2 1 60 ALA H . . 4.160 3.646 2.600 4.419 0.259 1 0 "[ . 1 . 2]" 1
685 1 59 GLN HB3 1 60 ALA H . . 4.160 3.611 2.381 4.430 0.270 1 0 "[ . 1 . 2]" 1
686 1 60 ALA H 1 60 ALA MB . . 2.850 2.319 2.263 2.503 . 0 0 "[ . 1 . 2]" 1
687 1 60 ALA H 1 61 ALA MB . . 5.340 4.984 4.582 5.213 . 0 0 "[ . 1 . 2]" 1
688 1 60 ALA HA 1 61 ALA H . . 2.760 2.122 2.083 2.166 . 0 0 "[ . 1 . 2]" 1
689 1 60 ALA MB 1 61 ALA H . . 3.340 3.253 2.979 3.484 0.144 1 0 "[ . 1 . 2]" 1
690 1 60 ALA MB 1 63 VAL QG . . 3.510 2.521 2.106 3.057 . 0 0 "[ . 1 . 2]" 1
691 1 61 ALA H 1 61 ALA MB . . 3.100 2.481 2.391 2.585 . 0 0 "[ . 1 . 2]" 1
692 1 61 ALA H 1 62 ASN H . . 4.360 4.433 4.334 4.495 0.135 10 0 "[ . 1 . 2]" 1
693 1 61 ALA H 1 63 VAL QG . . 4.130 4.031 3.653 4.511 0.381 13 0 "[ . 1 . 2]" 1
694 1 61 ALA HA 1 62 ASN H . . 2.830 2.335 2.157 2.516 . 0 0 "[ . 1 . 2]" 1
695 1 61 ALA HA 1 63 VAL H . . 4.690 4.584 4.175 5.114 0.424 9 0 "[ . 1 . 2]" 1
696 1 61 ALA HA 1 63 VAL QG . . 4.330 3.378 2.954 3.981 . 0 0 "[ . 1 . 2]" 1
697 1 61 ALA MB 1 62 ASN H . . 3.080 2.611 2.287 3.058 . 0 0 "[ . 1 . 2]" 1
698 1 61 ALA MB 1 62 ASN HD21 . . 4.080 3.569 2.428 4.297 0.217 18 0 "[ . 1 . 2]" 1
699 1 61 ALA MB 1 62 ASN HD22 . . 4.080 3.852 3.103 4.439 0.359 17 0 "[ . 1 . 2]" 1
700 1 61 ALA MB 1 63 VAL H . . 5.480 5.240 4.896 5.740 0.260 9 0 "[ . 1 . 2]" 1
701 1 62 ASN H 1 62 ASN HA . . 2.800 2.274 2.259 2.290 . 0 0 "[ . 1 . 2]" 1
702 1 62 ASN H 1 62 ASN HB2 . . 4.150 3.536 3.450 3.635 . 0 0 "[ . 1 . 2]" 1
703 1 62 ASN H 1 62 ASN QB . . 3.530 3.327 3.271 3.388 . 0 0 "[ . 1 . 2]" 1
704 1 62 ASN H 1 62 ASN HB3 . . 4.150 4.055 3.977 4.112 . 0 0 "[ . 1 . 2]" 1
705 1 62 ASN H 1 63 VAL H . . 3.400 3.242 3.072 3.408 0.008 9 0 "[ . 1 . 2]" 1
706 1 62 ASN H 1 63 VAL HB . . 5.500 5.369 5.198 5.595 0.095 6 0 "[ . 1 . 2]" 1
707 1 62 ASN H 1 63 VAL QG . . 4.150 3.532 3.332 3.766 . 0 0 "[ . 1 . 2]" 1
708 1 62 ASN HA 1 63 VAL H . . 3.060 2.306 2.168 2.475 . 0 0 "[ . 1 . 2]" 1
709 1 62 ASN HA 1 63 VAL HA . . 4.580 4.446 4.387 4.562 . 0 0 "[ . 1 . 2]" 1
710 1 62 ASN QB 1 62 ASN QD . . 3.070 2.138 2.105 2.172 . 0 0 "[ . 1 . 2]" 1
711 1 62 ASN HB2 1 63 VAL H . . 4.510 4.483 4.432 4.532 0.022 13 0 "[ . 1 . 2]" 1
712 1 62 ASN HB3 1 63 VAL H . . 4.510 4.124 3.886 4.322 . 0 0 "[ . 1 . 2]" 1
713 1 63 VAL H 1 63 VAL HB . . 3.630 2.607 2.542 2.718 . 0 0 "[ . 1 . 2]" 1
714 1 63 VAL H 1 63 VAL QG . . 2.840 2.398 2.140 2.518 . 0 0 "[ . 1 . 2]" 1
715 1 63 VAL H 1 64 GLN H . . 4.640 4.215 4.013 4.457 . 0 0 "[ . 1 . 2]" 1
716 1 63 VAL H 1 64 GLN HA . . 5.340 4.973 4.806 5.306 . 0 0 "[ . 1 . 2]" 1
717 1 63 VAL HA 1 63 VAL MG1 . . 3.350 2.365 2.304 2.399 . 0 0 "[ . 1 . 2]" 1
718 1 63 VAL HA 1 63 VAL QG . . 2.870 2.135 2.121 2.148 . 0 0 "[ . 1 . 2]" 1
719 1 63 VAL HA 1 63 VAL MG2 . . 3.350 2.433 2.392 2.495 . 0 0 "[ . 1 . 2]" 1
720 1 63 VAL HA 1 64 GLN H . . 2.740 2.156 2.110 2.233 . 0 0 "[ . 1 . 2]" 1
721 1 63 VAL HA 1 64 GLN HB2 . . 4.590 4.574 4.275 4.773 0.183 16 0 "[ . 1 . 2]" 1
722 1 63 VAL HB 1 64 GLN H . . 4.500 4.304 4.024 4.427 . 0 0 "[ . 1 . 2]" 1
723 1 63 VAL QG 1 64 GLN H . . 3.150 2.998 2.501 3.342 0.192 15 0 "[ . 1 . 2]" 1
724 1 64 GLN H 1 64 GLN HB2 . . 3.650 2.611 2.255 3.106 . 0 0 "[ . 1 . 2]" 1
725 1 64 GLN H 1 64 GLN HB3 . . 3.440 3.276 2.524 3.793 0.353 10 0 "[ . 1 . 2]" 1
726 1 64 GLN H 1 64 GLN QG . . 4.680 3.183 2.345 4.218 . 0 0 "[ . 1 . 2]" 1
727 1 64 GLN H 1 65 LYS H . . 4.510 4.487 4.402 4.543 0.033 8 0 "[ . 1 . 2]" 1
728 1 64 GLN HA 1 64 GLN QE . . 3.820 4.017 2.178 4.715 0.895 20 5 "[ * .* 1* - +]" 1
729 1 64 GLN HA 1 64 GLN QG . . 3.690 2.575 2.299 3.027 . 0 0 "[ . 1 . 2]" 1
730 1 64 GLN HA 1 65 LYS H . . 3.090 2.339 2.156 2.669 . 0 0 "[ . 1 . 2]" 1
731 1 64 GLN HA 1 65 LYS QG . . 4.700 4.080 3.599 5.830 1.130 20 2 "[ . 1 . -+]" 1
732 1 64 GLN HB2 1 65 LYS H . . 4.300 3.872 2.984 4.458 0.158 6 0 "[ . 1 . 2]" 1
733 1 64 GLN HB3 1 64 GLN QE . . 4.410 3.001 1.796 4.092 . 0 0 "[ . 1 . 2]" 1
734 1 64 GLN HB3 1 65 LYS H . . 4.010 3.106 1.949 4.142 0.132 2 0 "[ . 1 . 2]" 1
735 1 64 GLN QG 1 65 LYS H . . 3.610 3.412 1.732 4.640 1.030 1 5 "[+ - . 1 *** 2]" 1
736 1 65 LYS H 1 65 LYS QB . . 3.400 2.424 2.256 2.743 . 0 0 "[ . 1 . 2]" 1
737 1 65 LYS H 1 65 LYS QE . . 4.710 4.544 3.500 6.279 1.569 20 2 "[ . 1- . +]" 1
738 1 65 LYS H 1 65 LYS QG . . 3.500 2.644 2.112 4.057 0.557 20 2 "[ . 1 . -+]" 1
739 1 65 LYS H 1 66 ALA H . . 4.790 4.553 4.434 4.650 . 0 0 "[ . 1 . 2]" 1
740 1 65 LYS HA 1 65 LYS QG . . 3.620 2.552 2.363 3.359 . 0 0 "[ . 1 . 2]" 1
741 1 65 LYS HA 1 66 ALA H . . 2.620 2.252 2.146 2.545 . 0 0 "[ . 1 . 2]" 1
742 1 65 LYS QB 1 66 ALA H . . 3.600 2.913 2.197 3.671 0.071 19 0 "[ . 1 . 2]" 1
743 1 65 LYS QG 1 66 ALA H . . 4.650 3.813 2.521 4.543 . 0 0 "[ . 1 . 2]" 1
744 1 66 ALA H 1 66 ALA MB . . 2.900 2.372 2.233 2.646 . 0 0 "[ . 1 . 2]" 1
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