Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609688 | 2n7c RC | 25800 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n7c
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 712
_Distance_constraint_stats_list.Viol_count 2685
_Distance_constraint_stats_list.Viol_total 157393.891
_Distance_constraint_stats_list.Viol_max 17.307
_Distance_constraint_stats_list.Viol_rms 2.3332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5526
_Distance_constraint_stats_list.Viol_average_violations_only 2.9310
_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 5 VAL 0.522 0.338 14 0 "[ . 1 . 2]"
1 6 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ARG 2.678 0.405 10 0 "[ . 1 . 2]"
1 8 GLU 2.410 0.405 10 0 "[ . 1 . 2]"
1 9 SER 12.881 1.390 10 8 "[ ** * - + * . **2]"
1 10 VAL 14.471 0.793 7 6 "[ * +- 1 * . **2]"
1 11 SER 18.949 1.390 10 7 "[ ** * + * . -*2]"
1 12 ARG 457.032 16.410 12 20 [***********+********]
1 13 ILE 19.372 1.597 20 11 "[ **-** * 1 ** **+]"
1 14 TYR 2451.093 15.743 17 20 [**-*************+***]
1 15 VAL 0.086 0.086 19 0 "[ . 1 . 2]"
1 16 GLY 8.544 0.670 16 8 "[ - *** 1 * *.+ *]"
1 17 ASN 3.966 1.060 3 1 "[ + . 1 . 2]"
1 18 LEU 7.415 0.985 8 6 "[ **-. + 1* . *2]"
1 19 PRO 6.046 0.705 7 5 "[ * *. + 1* -. 2]"
1 20 SER 2.386 0.705 7 3 "[ * . + 1 -. 2]"
1 21 HIS 3.695 0.347 7 0 "[ . 1 . 2]"
1 22 VAL 32.307 1.670 8 20 [*******+*******-****]
1 23 SER 18.422 1.808 15 11 "[* * .* *1*-* + * **]"
1 24 SER 19.249 1.051 4 8 "[ *+.* 1* * .-* *2]"
1 25 ARG 33.050 1.808 15 11 "[- * .* *1*** + * **]"
1 26 ASP 6.747 0.758 3 1 "[ + . 1 . 2]"
1 27 VAL 35.095 1.614 9 18 "[-*******+*****.** **]"
1 28 GLU 17.397 1.342 14 9 "[** *. * 1 +* -**]"
1 29 ASN 2.561 0.533 19 1 "[ . 1 . +2]"
1 30 GLU 14.008 1.480 17 10 "[ ***** 1-***. + 2]"
1 31 PHE 44.086 1.614 9 20 [******-*+***********]
1 32 ARG 20.509 1.480 17 13 "[**-*** *1****. + *2]"
1 33 LYS 70.842 2.971 10 20 [**-******+**********]
1 34 TYR 24.498 1.392 9 15 "[*** .***+**** **** 2]"
1 35 GLY 13.227 1.536 18 8 "[* . *1 ** * +*-]"
1 36 ASN 0.294 0.206 19 0 "[ . 1 . 2]"
1 37 ILE 20.738 1.342 14 12 "[****. ***1 +* **-]"
1 38 LEU 1.456 0.505 3 1 "[ + . 1 . 2]"
1 39 LYS 45.501 2.018 3 20 [**+***********-*****]
1 40 CYS 13.117 0.853 18 9 "[ ** * * * *- + *]"
1 41 ASP 15.078 1.340 3 11 "[ + * ***** *-.** 2]"
1 42 VAL 34.353 2.007 14 18 "[ **** *******+-*****]"
1 43 LYS 419.802 12.396 12 20 [*****-*****+********]
1 44 LYS 93.112 1.938 19 20 [*********-********+*]
1 45 THR 60.260 1.705 19 20 [*********-********+*]
1 46 VAL 11.681 1.309 19 9 "[ * *** 1 **.* +-]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.279 0.279 8 0 "[ . 1 . 2]"
1 49 ALA 11.116 1.130 14 6 "[ * * -* 1 +. *2]"
1 50 ALA 7.507 0.703 3 3 "[ + . * 1 . -]"
1 51 PHE 516.368 15.094 16 20 [*****-*********+****]
1 52 ALA 33.159 1.217 14 20 [*-***********+******]
1 53 PHE 1731.815 16.319 12 20 [***********+**-*****]
1 54 ILE 84.702 1.756 1 20 [+**************-****]
1 55 GLU 5.468 0.582 19 2 "[ . 1 - +2]"
1 56 PHE 31.169 1.801 14 15 "[*****-* *** *+*** 2]"
1 57 GLU 1.760 0.505 3 1 "[ + . 1 . 2]"
1 58 ASP 2.526 0.729 2 2 "[ + . - 1 . 2]"
1 59 ALA 8.446 1.511 7 4 "[- *. + 1 . *]"
1 60 ARG 14.844 1.137 14 13 "[ * **- **1* +*****2]"
1 61 ASP 0.008 0.008 7 0 "[ . 1 . 2]"
1 62 ALA 64.818 2.971 10 20 [********-+**********]
1 63 ALA 15.060 1.188 8 12 "[ **- +*1* ******2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 84.931 2.395 8 20 [*******+**********-*]
1 66 ILE 96.393 1.960 20 20 [******************-+]
1 67 LYS 37.868 2.395 8 17 "[** * *+***********-]"
1 68 GLU 19.232 1.091 20 9 "[ . ***1- ** **+]"
1 69 LYS 34.070 1.354 20 14 "[* * *****1- **.** *+]"
1 70 ASP 50.102 2.068 3 19 "[**+-************* **]"
1 71 GLY 11.939 1.336 3 11 "[ +***-* 1** *.* *2]"
1 72 CYS 2.641 1.396 8 2 "[ -. + 1 . 2]"
1 73 ASP 1.529 0.375 9 0 "[ . 1 . 2]"
1 74 PHE 28.379 1.799 4 12 "[ **+.** *** - ** *]"
1 75 GLU 4.313 0.780 2 7 "[ + *. - *** . * 2]"
1 76 GLY 11.989 1.799 4 9 "[ **+. * -*** . * 2]"
1 77 ASN 4.628 0.788 9 3 "[ *. +1 . - 2]"
1 78 LYS 28.671 1.691 17 15 "[** *.****** **- +* *]"
1 79 LEU 4.002 0.491 12 0 "[ . 1 . 2]"
1 80 ARG 753.597 17.025 12 20 [***********+**-*****]
1 81 VAL 90.513 2.068 3 20 [**+-****************]
1 82 GLU 616.483 17.307 16 20 [**************-+****]
1 83 VAL 5.874 0.931 15 6 "[- * . * 1 *+ *2]"
1 84 PRO 3.491 0.331 19 0 "[ . 1 . 2]"
1 85 PHE 62.796 1.756 1 20 [+***-***************]
1 86 ASN 19.366 1.291 16 18 "[*** -****** ***+****]"
1 87 ALA 5.058 0.539 19 1 "[ . 1 . +2]"
1 88 ARG 8.345 1.511 7 4 "[- *. + 1 . *]"
1 89 GLU 1.009 0.539 19 1 "[ . 1 . +2]"
2 4 U 482.067 13.031 1 20 [+*******-***********]
2 5 C 4499.994 17.307 16 20 [***************+****]
2 6 A 2059.061 16.410 12 20 [***********+***-****]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 59 ALA H 1 61 ASP H . . 5.700 4.337 3.238 4.777 . 0 0 "[ . 1 . 2]" 1
2 1 43 LYS H 1 51 PHE H . . 4.410 3.038 2.911 3.274 . 0 0 "[ . 1 . 2]" 1
3 1 43 LYS H 1 44 LYS H . . 5.200 4.496 4.398 4.588 . 0 0 "[ . 1 . 2]" 1
4 1 43 LYS H 1 50 ALA MB . . 5.200 4.500 4.230 4.869 . 0 0 "[ . 1 . 2]" 1
5 1 59 ALA H 1 88 ARG QG . . 3.960 4.157 3.110 5.471 1.511 7 4 "[- *. + 1 . *]" 1
6 1 41 ASP H 1 53 PHE H . . 4.330 3.131 2.873 3.557 . 0 0 "[ . 1 . 2]" 1
7 1 40 CYS H 1 41 ASP H . . 4.430 4.345 4.061 4.485 0.055 9 0 "[ . 1 . 2]" 1
8 1 41 ASP H 1 42 VAL HA . . 5.700 4.788 4.595 5.040 . 0 0 "[ . 1 . 2]" 1
9 1 40 CYS QB 1 41 ASP H . . 4.810 3.003 2.467 3.910 . 0 0 "[ . 1 . 2]" 1
10 1 74 PHE H 1 76 GLY H . . 4.940 5.309 3.914 6.739 1.799 4 8 "[ **+. * -** . * 2]" 1
11 1 73 ASP H 1 74 PHE H . . 5.200 4.442 4.367 4.561 . 0 0 "[ . 1 . 2]" 1
12 1 74 PHE H 1 77 ASN QB . . 4.920 3.533 2.819 4.794 . 0 0 "[ . 1 . 2]" 1
13 1 74 PHE H 1 78 LYS QE . . 5.200 5.644 5.010 6.891 1.691 17 9 "[ *.** ** - +* *]" 1
14 1 74 PHE H 1 75 GLU H . . 4.840 4.394 4.334 4.418 . 0 0 "[ . 1 . 2]" 1
15 1 78 LYS QG 1 79 LEU H . . 4.850 4.198 2.919 4.805 . 0 0 "[ . 1 . 2]" 1
16 1 79 LEU H 1 79 LEU HG . . 4.200 4.368 3.950 4.691 0.491 12 0 "[ . 1 . 2]" 1
17 1 78 LYS H 1 79 LEU H . . 5.400 3.833 3.413 4.174 . 0 0 "[ . 1 . 2]" 1
18 1 79 LEU H 1 80 ARG HA . . 5.700 4.635 4.193 4.987 . 0 0 "[ . 1 . 2]" 1
19 1 71 GLY H 1 81 VAL H . . 5.060 5.628 4.640 6.396 1.336 3 11 "[ +***-* 1** *.* *2]" 1
20 1 70 ASP HA 1 81 VAL H . . 5.070 5.190 4.186 5.983 0.913 16 5 "[ * . 1*- *.+ 2]" 1
21 1 81 VAL H 1 82 GLU QB . . 5.700 4.213 3.594 4.727 . 0 0 "[ . 1 . 2]" 1
22 1 80 ARG HD3 1 81 VAL H . . 5.700 5.192 4.594 6.460 0.760 14 3 "[ * .- 1 +. 2]" 1
23 1 70 ASP QB 1 81 VAL H . . 5.200 6.217 5.083 6.941 1.741 16 19 "[************-**+* **]" 1
24 1 38 LEU H 1 56 PHE HA . . 5.270 3.340 2.992 4.136 . 0 0 "[ . 1 . 2]" 1
25 1 38 LEU H 1 55 GLU H . . 5.230 4.188 3.898 4.511 . 0 0 "[ . 1 . 2]" 1
26 1 38 LEU H 1 39 LYS H . . 3.790 2.306 2.186 2.543 . 0 0 "[ . 1 . 2]" 1
27 1 37 ILE H 1 38 LEU QD . . 5.700 4.502 4.025 5.058 . 0 0 "[ . 1 . 2]" 1
28 1 35 GLY QA 1 37 ILE H . . 4.950 4.922 4.296 5.533 0.583 9 2 "[ . +1 . -]" 1
29 1 28 GLU HA 1 37 ILE H . . 5.640 6.140 5.718 6.982 1.342 14 9 "[** *. * 1 +* -**]" 1
30 1 37 ILE H 1 38 LEU H . . 5.570 4.549 4.449 4.627 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE HB 1 7 ARG H . . 5.060 3.771 2.114 4.518 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE MG 1 7 ARG H . . 4.900 3.472 2.295 4.332 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL QG 1 7 ARG H . . 5.200 4.271 2.229 5.538 0.338 14 0 "[ . 1 . 2]" 1
34 1 7 ARG H 1 8 GLU QB . . 5.310 4.765 3.709 5.692 0.382 9 0 "[ . 1 . 2]" 1
35 1 55 GLU H 1 55 GLU HG3 . . 5.660 4.411 3.273 4.743 . 0 0 "[ . 1 . 2]" 1
36 1 56 PHE H 1 57 GLU H . . 5.700 4.503 4.367 4.632 . 0 0 "[ . 1 . 2]" 1
37 1 39 LYS QE 1 40 CYS H . . 4.860 3.492 2.493 5.141 0.281 12 0 "[ . 1 . 2]" 1
38 1 39 LYS H 1 40 CYS H . . 5.250 4.326 4.249 4.393 . 0 0 "[ . 1 . 2]" 1
39 1 39 LYS QG 1 40 CYS H . . 5.700 2.851 1.936 4.242 . 0 0 "[ . 1 . 2]" 1
40 1 14 TYR H 1 15 VAL H . . 5.590 4.353 4.178 4.470 . 0 0 "[ . 1 . 2]" 1
41 1 49 ALA H 1 50 ALA H . . 5.240 4.631 4.526 4.666 . 0 0 "[ . 1 . 2]" 1
42 1 45 THR H 1 49 ALA H . . 4.650 3.831 3.246 4.203 . 0 0 "[ . 1 . 2]" 1
43 1 48 GLY H 1 49 ALA H . . 3.790 2.764 2.530 3.172 . 0 0 "[ . 1 . 2]" 1
44 1 13 ILE HB 1 14 TYR H . . 4.790 3.989 3.081 4.148 . 0 0 "[ . 1 . 2]" 1
45 1 12 ARG H 1 13 ILE H . . 5.700 4.356 4.092 4.524 . 0 0 "[ . 1 . 2]" 1
46 1 12 ARG H 1 13 ILE QG . . 5.700 5.196 4.663 6.182 0.482 4 0 "[ . 1 . 2]" 1
47 1 10 VAL QG 1 12 ARG H . . 5.700 4.687 3.179 5.530 . 0 0 "[ . 1 . 2]" 1
48 1 53 PHE QB 1 54 ILE H . . 4.800 3.078 2.748 3.396 . 0 0 "[ . 1 . 2]" 1
49 1 79 LEU HG 1 80 ARG H . . 4.970 4.562 3.537 5.121 0.151 3 0 "[ . 1 . 2]" 1
50 1 78 LYS QG 1 80 ARG H . . 5.200 5.912 5.287 6.634 1.434 1 12 "[+* *.* * * **- ** *]" 1
51 1 79 LEU MD2 1 80 ARG H . . 5.060 3.550 2.343 4.907 . 0 0 "[ . 1 . 2]" 1
52 1 79 LEU H 1 80 ARG H . . 5.480 3.660 2.916 4.284 . 0 0 "[ . 1 . 2]" 1
53 1 79 LEU HA 1 80 ARG H . . 3.710 2.294 2.171 2.726 . 0 0 "[ . 1 . 2]" 1
54 1 72 CYS QB 1 73 ASP H . . 4.460 2.796 2.312 3.395 . 0 0 "[ . 1 . 2]" 1
55 1 64 ASP H 1 65 ALA H . . 3.740 2.718 2.566 2.849 . 0 0 "[ . 1 . 2]" 1
56 1 33 LYS QE 1 65 ALA H . . 4.630 5.736 5.099 6.552 1.922 10 19 "[** **-***+**********]" 1
57 1 65 ALA H 1 66 ILE HA . . 5.700 5.165 5.005 5.333 . 0 0 "[ . 1 . 2]" 1
58 1 34 TYR QE 1 65 ALA H . . 5.700 4.738 3.562 6.030 0.330 4 0 "[ . 1 . 2]" 1
59 1 62 ALA H 1 65 ALA H . . 5.200 5.536 5.153 5.804 0.604 7 5 "[ . + 1 -*.* *]" 1
60 1 81 VAL HB 1 82 GLU H . . 5.500 4.030 3.131 4.351 . 0 0 "[ . 1 . 2]" 1
61 1 82 GLU H 1 82 GLU HG3 . . 5.200 4.564 3.419 4.854 . 0 0 "[ . 1 . 2]" 1
62 1 66 ILE MD 1 82 GLU H . . 5.700 3.993 2.970 4.789 . 0 0 "[ . 1 . 2]" 1
63 1 81 VAL QG 1 82 GLU H . . 4.880 2.797 2.352 3.547 . 0 0 "[ . 1 . 2]" 1
64 1 66 ILE MG 1 82 GLU H . . 5.200 5.883 4.952 6.836 1.636 3 12 "[* + .*** 1 ** -****2]" 1
65 1 31 PHE H 1 32 ARG H . . 3.760 2.777 2.679 2.936 . 0 0 "[ . 1 . 2]" 1
66 1 30 GLU H 1 32 ARG H . . 5.530 4.186 3.918 4.345 . 0 0 "[ . 1 . 2]" 1
67 1 32 ARG H 1 34 TYR H . . 5.200 4.471 4.260 5.249 0.049 9 0 "[ . 1 . 2]" 1
68 1 32 ARG H 1 35 GLY H . . 5.700 5.233 4.842 5.741 0.041 18 0 "[ . 1 . 2]" 1
69 1 32 ARG H 1 34 TYR QD . . 5.200 4.869 4.385 6.475 1.275 9 1 "[ . +1 . 2]" 1
70 1 32 ARG H 1 32 ARG HB3 . . 4.030 3.151 2.367 3.697 . 0 0 "[ . 1 . 2]" 1
71 1 32 ARG H 1 33 LYS QG . . 5.700 5.272 4.579 6.360 0.660 6 2 "[ - .+ 1 . 2]" 1
72 1 27 VAL H 1 28 GLU H . . 3.770 2.742 2.493 2.995 . 0 0 "[ . 1 . 2]" 1
73 1 28 GLU H 1 30 GLU H . . 5.420 4.240 3.888 4.453 . 0 0 "[ . 1 . 2]" 1
74 1 28 GLU H 1 28 GLU QG . . 4.090 3.924 2.659 4.060 . 0 0 "[ . 1 . 2]" 1
75 1 25 ARG HA 1 28 GLU H . . 5.700 3.680 3.073 4.222 . 0 0 "[ . 1 . 2]" 1
76 1 78 LYS H 1 78 LYS QE . . 5.310 4.160 3.544 4.711 . 0 0 "[ . 1 . 2]" 1
77 1 77 ASN QB 1 78 LYS H . . 4.810 2.657 2.307 3.579 . 0 0 "[ . 1 . 2]" 1
78 1 78 LYS H 1 78 LYS HB2 . . 3.840 2.844 2.310 4.053 0.213 4 0 "[ . 1 . 2]" 1
79 1 78 LYS H 1 78 LYS QD . . 4.200 3.587 2.850 5.200 1.000 9 2 "[ -. +1 . 2]" 1
80 1 85 PHE H 1 86 ASN HA . . 4.020 4.781 4.020 5.311 1.291 16 18 "[*** -****** ***+****]" 1
81 1 23 SER HA 1 25 ARG H . . 4.370 4.420 4.159 4.721 0.351 12 0 "[ . 1 . 2]" 1
82 1 23 SER HB3 1 25 ARG H . . 4.430 3.609 2.842 4.843 0.413 2 0 "[ . 1 . 2]" 1
83 1 25 ARG QG 1 28 GLU H . . 5.700 5.601 5.151 6.066 0.366 13 0 "[ . 1 . 2]" 1
84 1 74 PHE H 1 77 ASN H . . 4.250 4.307 3.864 4.941 0.691 4 2 "[ +. 1 . - 2]" 1
85 1 77 ASN H 1 78 LYS QE . . 4.520 4.103 3.242 5.308 0.788 9 1 "[ . +1 . 2]" 1
86 1 82 GLU H 1 83 VAL H . . 5.020 4.323 4.167 4.421 . 0 0 "[ . 1 . 2]" 1
87 1 82 GLU QB 1 83 VAL H . . 4.250 3.503 2.766 3.883 . 0 0 "[ . 1 . 2]" 1
88 1 82 GLU HG2 1 83 VAL H . . 5.040 3.157 1.831 4.427 . 0 0 "[ . 1 . 2]" 1
89 1 66 ILE MG 1 83 VAL H . . 4.570 4.651 3.876 5.501 0.931 15 5 "[- * . * 1 + *2]" 1
90 1 82 GLU HG3 1 83 VAL H . . 4.440 2.840 2.322 3.506 . 0 0 "[ . 1 . 2]" 1
91 1 61 ASP H 1 63 ALA MB . . 5.420 4.576 3.966 4.875 . 0 0 "[ . 1 . 2]" 1
92 1 60 ARG H 1 61 ASP H . . 3.840 2.753 2.426 2.961 . 0 0 "[ . 1 . 2]" 1
93 1 61 ASP H 1 62 ALA H . . 3.930 2.517 2.168 2.759 . 0 0 "[ . 1 . 2]" 1
94 1 57 GLU H 1 58 ASP H . . 4.570 2.669 2.442 2.943 . 0 0 "[ . 1 . 2]" 1
95 1 38 LEU H 1 57 GLU H . . 5.400 4.719 4.300 5.905 0.505 3 1 "[ + . 1 . 2]" 1
96 1 86 ASN H 1 87 ALA H . . 3.980 3.402 2.723 4.335 0.355 16 0 "[ . 1 . 2]" 1
97 1 45 THR HA 1 46 VAL H . . 3.770 2.350 2.266 2.546 . 0 0 "[ . 1 . 2]" 1
98 1 44 LYS QD 1 46 VAL H . . 5.700 6.234 5.808 7.009 1.309 19 9 "[ * *** 1 **.* +-]" 1
99 1 44 LYS QG 1 46 VAL H . . 5.700 5.193 4.856 5.529 . 0 0 "[ . 1 . 2]" 1
100 1 52 ALA H 1 53 PHE H . . 5.480 4.500 4.368 4.579 . 0 0 "[ . 1 . 2]" 1
101 1 51 PHE H 1 52 ALA H . . 5.260 4.324 4.221 4.468 . 0 0 "[ . 1 . 2]" 1
102 1 45 THR HB 1 46 VAL H . . 3.930 3.345 2.125 3.897 . 0 0 "[ . 1 . 2]" 1
103 1 88 ARG H 1 89 GLU H . . 4.940 3.052 1.719 4.631 . 0 0 "[ . 1 . 2]" 1
104 1 63 ALA H 1 64 ASP H . . 4.170 2.937 2.796 3.111 . 0 0 "[ . 1 . 2]" 1
105 1 87 ALA MB 1 88 ARG H . . 5.700 2.666 1.918 3.734 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL H 1 11 SER HA . . 4.970 5.048 4.436 5.573 0.603 19 2 "[ . 1 . -+2]" 1
107 1 10 VAL H 1 11 SER QB . . 5.700 5.399 4.362 6.334 0.634 5 1 "[ + 1 . 2]" 1
108 1 62 ALA H 1 63 ALA MB . . 4.570 4.385 4.186 4.492 . 0 0 "[ . 1 . 2]" 1
109 1 27 VAL H 1 29 ASN H . . 5.090 4.363 4.120 4.823 . 0 0 "[ . 1 . 2]" 1
110 1 25 ARG QD 1 27 VAL H . . 5.460 5.421 4.485 6.829 1.369 11 5 "[- * .* 1+ . *]" 1
111 1 26 ASP QB 1 27 VAL H . . 5.200 2.593 2.407 2.977 . 0 0 "[ . 1 . 2]" 1
112 1 23 SER H 1 27 VAL H . . 5.700 4.563 3.943 5.258 . 0 0 "[ . 1 . 2]" 1
113 1 25 ARG H 1 27 VAL H . . 5.700 4.406 4.045 4.721 . 0 0 "[ . 1 . 2]" 1
114 1 27 VAL H 1 28 GLU HA . . 5.700 5.385 5.192 5.558 . 0 0 "[ . 1 . 2]" 1
115 1 72 CYS H 1 73 ASP H . . 5.260 4.628 4.508 4.678 . 0 0 "[ . 1 . 2]" 1
116 1 60 ARG H 1 88 ARG QG . . 5.220 3.941 2.508 5.500 0.280 1 0 "[ . 1 . 2]" 1
117 1 59 ALA H 1 60 ARG H . . 3.980 2.893 2.630 3.145 . 0 0 "[ . 1 . 2]" 1
118 1 60 ARG H 1 62 ALA H . . 5.470 4.360 3.861 4.787 . 0 0 "[ . 1 . 2]" 1
119 1 22 VAL H 1 23 SER H . . 5.410 4.527 4.231 4.698 . 0 0 "[ . 1 . 2]" 1
120 1 23 SER H 1 23 SER HB2 . . 4.310 2.891 2.444 3.700 . 0 0 "[ . 1 . 2]" 1
121 1 22 VAL QG 1 23 SER H . . 5.700 3.192 2.425 3.626 . 0 0 "[ . 1 . 2]" 1
122 1 71 GLY H 1 72 CYS H . . 4.020 2.827 2.263 3.311 . 0 0 "[ . 1 . 2]" 1
123 1 23 SER H 1 23 SER HB3 . . 3.940 3.320 2.546 3.684 . 0 0 "[ . 1 . 2]" 1
124 1 23 SER H 1 25 ARG QD . . 5.010 5.694 4.417 6.818 1.808 15 11 "[* * .* *1*-* + * **]" 1
125 1 70 ASP H 1 71 GLY H . . 5.310 4.614 4.569 4.644 . 0 0 "[ . 1 . 2]" 1
126 1 69 LYS H 1 70 ASP H . . 3.840 2.506 2.025 2.857 . 0 0 "[ . 1 . 2]" 1
127 1 69 LYS QB 1 70 ASP H . . 5.190 3.385 2.863 3.767 . 0 0 "[ . 1 . 2]" 1
128 1 70 ASP H 1 81 VAL HB . . 5.200 5.245 4.316 6.472 1.272 3 3 "[ + . 1- *. 2]" 1
129 1 66 ILE MD 1 70 ASP H . . 5.700 4.601 3.131 6.482 0.782 20 1 "[ . 1 . +]" 1
130 1 70 ASP H 1 81 VAL QG . . 5.200 4.132 3.259 5.390 0.190 3 0 "[ . 1 . 2]" 1
131 1 25 ARG HB3 1 26 ASP H . . 4.060 3.458 2.536 4.335 0.275 12 0 "[ . 1 . 2]" 1
132 1 30 GLU H 1 31 PHE H . . 3.980 2.697 2.394 2.933 . 0 0 "[ . 1 . 2]" 1
133 1 27 VAL HA 1 30 GLU H . . 5.230 3.326 2.854 3.758 . 0 0 "[ . 1 . 2]" 1
134 1 30 GLU H 1 31 PHE QB . . 5.200 4.624 4.237 4.986 . 0 0 "[ . 1 . 2]" 1
135 1 30 GLU H 1 30 GLU QG . . 4.630 4.005 3.959 4.068 . 0 0 "[ . 1 . 2]" 1
136 1 23 SER H 1 26 ASP H . . 4.850 4.037 3.051 4.814 . 0 0 "[ . 1 . 2]" 1
137 1 26 ASP H 1 28 GLU H . . 5.370 4.058 3.733 4.509 . 0 0 "[ . 1 . 2]" 1
138 1 25 ARG QD 1 26 ASP H . . 4.740 3.403 2.512 4.696 . 0 0 "[ . 1 . 2]" 1
139 1 25 ARG HB2 1 26 ASP H . . 3.950 3.545 2.618 4.307 0.357 18 0 "[ . 1 . 2]" 1
140 1 25 ARG H 1 26 ASP H . . 3.990 2.763 2.501 2.971 . 0 0 "[ . 1 . 2]" 1
141 1 50 ALA H 1 51 PHE H . . 5.250 4.502 4.406 4.594 . 0 0 "[ . 1 . 2]" 1
142 1 43 LYS HB2 1 51 PHE H . . 4.270 3.935 3.273 4.344 0.074 5 0 "[ . 1 . 2]" 1
143 1 43 LYS QG 1 51 PHE H . . 5.200 5.451 4.992 5.767 0.567 5 1 "[ + 1 . 2]" 1
144 1 45 THR H 1 51 PHE H . . 5.200 5.396 5.036 5.838 0.638 19 2 "[ . 1 -. +2]" 1
145 1 44 LYS H 1 45 THR H . . 5.280 4.395 4.270 4.446 . 0 0 "[ . 1 . 2]" 1
146 1 43 LYS HB2 1 44 LYS H . . 4.140 3.406 3.075 3.865 . 0 0 "[ . 1 . 2]" 1
147 1 43 LYS QG 1 44 LYS H . . 5.200 4.037 3.434 4.354 . 0 0 "[ . 1 . 2]" 1
148 1 24 SER H 1 42 VAL HB . . 5.640 5.543 4.136 6.115 0.475 10 0 "[ . 1 . 2]" 1
149 1 24 SER H 1 25 ARG H . . 4.090 2.910 2.758 3.164 . 0 0 "[ . 1 . 2]" 1
150 1 24 SER H 1 26 ASP H . . 5.700 4.343 4.077 4.556 . 0 0 "[ . 1 . 2]" 1
151 1 23 SER HA 1 24 SER H . . 3.640 2.340 2.176 2.570 . 0 0 "[ . 1 . 2]" 1
152 1 23 SER HB2 1 24 SER H . . 3.910 3.452 2.369 4.176 0.266 20 0 "[ . 1 . 2]" 1
153 1 24 SER H 1 25 ARG HA . . 5.200 5.542 5.436 5.682 0.482 18 0 "[ . 1 . 2]" 1
154 1 23 SER HB3 1 24 SER H . . 3.980 3.188 2.408 3.923 . 0 0 "[ . 1 . 2]" 1
155 1 10 VAL H 1 11 SER H . . 4.610 3.809 1.906 4.515 . 0 0 "[ . 1 . 2]" 1
156 1 9 SER QB 1 11 SER H . . 5.230 4.818 3.642 6.133 0.903 10 1 "[ . + . 2]" 1
157 1 67 LYS H 1 67 LYS QD . . 4.200 3.901 3.248 4.264 0.064 8 0 "[ . 1 . 2]" 1
158 1 66 ILE MD 1 67 LYS H . . 4.400 4.363 3.312 4.910 0.510 20 1 "[ . 1 . +]" 1
159 1 66 ILE MG 1 67 LYS H . . 5.200 2.478 2.287 3.197 . 0 0 "[ . 1 . 2]" 1
160 1 67 LYS H 1 68 GLU H . . 4.190 2.850 2.661 2.965 . 0 0 "[ . 1 . 2]" 1
161 1 61 ASP H 1 63 ALA H . . 5.470 3.846 3.054 4.173 . 0 0 "[ . 1 . 2]" 1
162 1 62 ALA H 1 63 ALA H . . 4.060 2.769 2.557 2.910 . 0 0 "[ . 1 . 2]" 1
163 1 60 ARG H 1 63 ALA H . . 5.700 4.774 4.535 5.008 . 0 0 "[ . 1 . 2]" 1
164 1 33 LYS H 1 34 TYR H . . 4.490 2.641 2.481 2.841 . 0 0 "[ . 1 . 2]" 1
165 1 64 ASP HA 1 67 LYS H . . 5.200 3.708 3.224 3.977 . 0 0 "[ . 1 . 2]" 1
166 1 32 ARG H 1 33 LYS H . . 4.450 2.990 2.743 3.174 . 0 0 "[ . 1 . 2]" 1
167 1 66 ILE H 1 66 ILE MD . . 4.200 4.343 3.651 4.534 0.334 12 0 "[ . 1 . 2]" 1
168 1 39 LYS H 1 55 GLU HG3 . . 5.060 5.157 4.573 5.642 0.582 19 2 "[ . 1 - +2]" 1
169 1 56 PHE HA 1 58 ASP H . . 5.700 4.234 3.735 4.894 . 0 0 "[ . 1 . 2]" 1
170 1 9 SER H 1 10 VAL H . . 4.830 4.238 2.731 4.657 . 0 0 "[ . 1 . 2]" 1
171 1 8 GLU QG 1 9 SER H . . 5.700 3.525 1.660 4.891 . 0 0 "[ . 1 . 2]" 1
172 1 34 TYR H 1 34 TYR QD . . 2.950 2.339 1.899 2.946 . 0 0 "[ . 1 . 2]" 1
173 1 34 TYR H 1 35 GLY H . . 3.720 2.418 2.222 2.615 . 0 0 "[ . 1 . 2]" 1
174 1 31 PHE HA 1 34 TYR H . . 5.700 3.535 3.055 5.185 . 0 0 "[ . 1 . 2]" 1
175 1 39 LYS H 1 55 GLU H . . 4.380 3.103 2.796 3.357 . 0 0 "[ . 1 . 2]" 1
176 1 38 LEU QB 1 39 LYS H . . 4.980 2.626 2.360 2.887 . 0 0 "[ . 1 . 2]" 1
177 1 37 ILE MG 1 39 LYS H . . 5.200 5.031 4.856 5.359 0.159 12 0 "[ . 1 . 2]" 1
178 1 66 ILE H 1 67 LYS H . . 3.820 2.753 2.161 2.984 . 0 0 "[ . 1 . 2]" 1
179 1 42 VAL H 1 53 PHE H . . 5.200 5.023 4.808 5.150 . 0 0 "[ . 1 . 2]" 1
180 1 18 LEU H 1 50 ALA H . . 5.020 3.912 3.203 4.600 . 0 0 "[ . 1 . 2]" 1
181 1 18 LEU H 1 50 ALA MB . . 5.700 3.815 3.326 4.433 . 0 0 "[ . 1 . 2]" 1
182 1 20 SER H 1 20 SER QB . . 3.450 2.952 2.265 3.381 . 0 0 "[ . 1 . 2]" 1
183 1 35 GLY QA 1 36 ASN H . . 3.650 2.284 2.232 2.344 . 0 0 "[ . 1 . 2]" 1
184 1 28 GLU H 1 29 ASN H . . 4.130 2.873 2.722 2.997 . 0 0 "[ . 1 . 2]" 1
185 1 26 ASP H 1 29 ASN H . . 5.200 4.879 4.608 5.530 0.330 14 0 "[ . 1 . 2]" 1
186 1 29 ASN H 1 30 GLU H . . 4.050 2.736 2.222 2.899 . 0 0 "[ . 1 . 2]" 1
187 1 27 VAL HA 1 29 ASN H . . 5.490 4.445 3.688 4.891 . 0 0 "[ . 1 . 2]" 1
188 1 28 GLU QG 1 29 ASN H . . 5.300 3.597 3.050 4.310 . 0 0 "[ . 1 . 2]" 1
189 1 28 GLU QB 1 29 ASN H . . 4.130 2.574 2.305 2.902 . 0 0 "[ . 1 . 2]" 1
190 1 29 ASN H 1 30 GLU QB . . 5.200 4.472 3.925 4.697 . 0 0 "[ . 1 . 2]" 1
191 1 27 VAL QG 1 29 ASN H . . 5.700 4.689 4.189 5.095 . 0 0 "[ . 1 . 2]" 1
192 1 13 ILE H 1 14 TYR HA . . 5.700 5.320 4.911 5.542 . 0 0 "[ . 1 . 2]" 1
193 1 67 LYS H 1 69 LYS H . . 5.670 4.237 4.095 4.401 . 0 0 "[ . 1 . 2]" 1
194 1 69 LYS H 1 69 LYS QE . . 5.700 3.843 2.854 4.854 . 0 0 "[ . 1 . 2]" 1
195 1 68 GLU QG 1 69 LYS H . . 4.710 2.792 2.241 3.286 . 0 0 "[ . 1 . 2]" 1
196 1 67 LYS QD 1 69 LYS H . . 5.700 4.993 4.601 5.465 . 0 0 "[ . 1 . 2]" 1
197 1 16 GLY H 1 17 ASN H . . 5.640 4.498 4.425 4.585 . 0 0 "[ . 1 . 2]" 1
198 1 17 ASN H 1 18 LEU H . . 4.110 2.752 2.562 2.926 . 0 0 "[ . 1 . 2]" 1
199 1 30 GLU QG 1 31 PHE H . . 5.370 3.533 3.303 4.009 . 0 0 "[ . 1 . 2]" 1
200 1 27 VAL HB 1 31 PHE H . . 5.200 5.315 4.073 6.023 0.823 13 7 "[ ** **-+ . * 2]" 1
201 1 30 GLU QB 1 31 PHE H . . 4.770 2.543 2.339 2.740 . 0 0 "[ . 1 . 2]" 1
202 1 68 GLU H 1 69 LYS H . . 3.900 2.433 1.919 2.739 . 0 0 "[ . 1 . 2]" 1
203 1 68 GLU H 1 69 LYS QE . . 4.930 4.874 3.921 6.021 1.091 20 2 "[ . -1 . +]" 1
204 1 68 GLU H 1 69 LYS QB . . 4.440 4.536 4.090 4.919 0.479 4 0 "[ . 1 . 2]" 1
205 1 67 LYS QD 1 68 GLU H . . 4.600 3.091 2.289 3.730 . 0 0 "[ . 1 . 2]" 1
206 1 46 VAL H 1 47 SER H . . 4.110 2.713 2.631 3.054 . 0 0 "[ . 1 . 2]" 1
207 1 45 THR H 1 50 ALA HA . . 3.800 3.708 3.484 4.113 0.313 19 0 "[ . 1 . 2]" 1
208 1 44 LYS QD 1 45 THR H . . 4.470 4.620 3.182 5.016 0.546 3 1 "[ + . 1 . 2]" 1
209 1 44 LYS QG 1 45 THR H . . 4.360 3.408 2.231 3.716 . 0 0 "[ . 1 . 2]" 1
210 1 15 VAL HB 1 16 GLY H . . 5.700 3.798 2.774 4.313 . 0 0 "[ . 1 . 2]" 1
211 1 45 THR H 1 48 GLY H . . 5.010 4.006 3.636 5.289 0.279 8 0 "[ . 1 . 2]" 1
212 1 76 GLY H 1 77 ASN H . . 4.020 2.765 2.041 3.633 . 0 0 "[ . 1 . 2]" 1
213 1 75 GLU H 1 76 GLY H . . 4.270 3.080 2.775 3.534 . 0 0 "[ . 1 . 2]" 1
214 1 35 GLY H 1 36 ASN H . . 5.340 4.391 4.269 4.525 . 0 0 "[ . 1 . 2]" 1
215 1 32 ARG HA 1 35 GLY H . . 5.700 3.336 3.033 3.686 . 0 0 "[ . 1 . 2]" 1
216 1 27 VAL HA 1 30 GLU QB . . 4.740 2.578 2.290 3.073 . 0 0 "[ . 1 . 2]" 1
217 1 27 VAL HA 1 28 GLU QB . . 5.200 5.193 5.080 5.317 0.117 4 0 "[ . 1 . 2]" 1
218 1 23 SER HB2 1 25 ARG H . . 4.230 3.569 2.837 4.602 0.372 12 0 "[ . 1 . 2]" 1
219 1 66 ILE HA 1 66 ILE MG . . 3.550 3.123 2.604 3.270 . 0 0 "[ . 1 . 2]" 1
220 1 66 ILE HA 1 66 ILE MD . . 3.720 2.482 2.088 3.534 . 0 0 "[ . 1 . 2]" 1
221 1 46 VAL HA 1 46 VAL MG2 . . 3.500 2.954 2.299 3.286 . 0 0 "[ . 1 . 2]" 1
222 1 9 SER QB 1 10 VAL HA . . 4.720 4.482 3.895 4.957 0.237 3 0 "[ . 1 . 2]" 1
223 1 9 SER QB 1 11 SER HA . . 5.200 5.565 4.604 6.590 1.390 10 6 "[ ** - + * . * 2]" 1
224 1 11 SER QB 1 12 ARG H . . 4.470 3.447 2.979 3.974 . 0 0 "[ . 1 . 2]" 1
225 1 19 PRO QG 1 20 SER QB . . 4.780 4.591 3.594 5.485 0.705 7 3 "[ * . + 1 -. 2]" 1
226 1 84 PRO HA 1 85 PHE H . . 3.280 3.268 2.246 3.611 0.331 19 0 "[ . 1 . 2]" 1
227 1 19 PRO HA 1 20 SER H . . 3.240 2.242 2.108 2.519 . 0 0 "[ . 1 . 2]" 1
228 1 24 SER HA 1 27 VAL HB . . 4.270 3.846 2.572 5.162 0.892 19 4 "[ * .* 1 .- +2]" 1
229 1 24 SER HA 1 42 VAL QG . . 3.760 3.825 2.536 4.811 1.051 4 4 "[ +. 1- * . * 2]" 1
230 1 24 SER HA 1 27 VAL QG . . 4.740 2.697 2.052 3.723 . 0 0 "[ . 1 . 2]" 1
231 1 22 VAL HA 1 23 SER H . . 3.050 2.176 2.072 2.292 . 0 0 "[ . 1 . 2]" 1
232 1 22 VAL HA 1 26 ASP QB . . 4.410 3.808 2.280 4.792 0.382 3 0 "[ . 1 . 2]" 1
233 1 42 VAL HA 1 53 PHE H . . 4.290 3.396 2.988 3.924 . 0 0 "[ . 1 . 2]" 1
234 1 42 VAL HA 1 43 LYS H . . 3.220 2.152 2.078 2.302 . 0 0 "[ . 1 . 2]" 1
235 1 37 ILE HA 1 38 LEU H . . 3.390 2.142 2.086 2.190 . 0 0 "[ . 1 . 2]" 1
236 1 37 ILE HA 1 56 PHE HA . . 3.740 2.738 2.282 3.400 . 0 0 "[ . 1 . 2]" 1
237 1 81 VAL HA 1 82 GLU H . . 3.370 2.172 2.078 2.289 . 0 0 "[ . 1 . 2]" 1
238 1 66 ILE MD 1 81 VAL HA . . 4.040 4.593 3.844 5.571 1.531 20 9 "[ *-.* * 1 * *. **+]" 1
239 1 27 VAL QG 1 28 GLU HA . . 4.820 3.750 3.293 4.430 . 0 0 "[ . 1 . 2]" 1
240 1 34 TYR HA 1 34 TYR QD . . 3.400 3.050 2.545 3.377 . 0 0 "[ . 1 . 2]" 1
241 1 34 TYR HA 1 35 GLY H . . 5.200 3.505 3.247 3.639 . 0 0 "[ . 1 . 2]" 1
242 1 38 LEU QD 1 57 GLU HA . . 3.620 2.816 2.164 3.916 0.296 3 0 "[ . 1 . 2]" 1
243 1 60 ARG HA 1 63 ALA H . . 4.620 3.375 2.881 3.800 . 0 0 "[ . 1 . 2]" 1
244 1 25 ARG HA 1 28 GLU QB . . 3.830 2.710 2.115 3.929 0.099 4 0 "[ . 1 . 2]" 1
245 1 25 ARG HA 1 25 ARG QG . . 3.730 2.648 2.374 3.561 . 0 0 "[ . 1 . 2]" 1
246 1 60 ARG HA 1 60 ARG QG . . 3.490 2.999 2.299 3.541 0.051 15 0 "[ . 1 . 2]" 1
247 1 32 ARG HA 1 32 ARG QD . . 4.540 4.032 2.104 4.545 0.005 20 0 "[ . 1 . 2]" 1
248 1 70 ASP HA 1 81 VAL QG . . 5.200 3.069 2.099 4.283 . 0 0 "[ . 1 . 2]" 1
249 1 9 SER HA 1 10 VAL H . . 3.030 2.586 2.114 3.569 0.539 19 2 "[ . - 1 . +2]" 1
250 1 85 PHE HA 1 86 ASN H . . 3.390 3.122 2.575 3.528 0.138 13 0 "[ . 1 . 2]" 1
251 1 10 VAL QG 1 11 SER HA . . 5.070 4.115 3.353 4.701 . 0 0 "[ . 1 . 2]" 1
252 1 66 ILE MD 1 70 ASP HA . . 5.200 4.369 2.849 6.083 0.883 20 1 "[ . 1 . +]" 1
253 1 70 ASP HA 1 81 VAL HB . . 3.940 3.201 2.369 4.576 0.636 3 1 "[ + . 1 . 2]" 1
254 1 67 LYS QD 1 68 GLU HA . . 4.040 3.329 3.006 4.137 0.097 19 0 "[ . 1 . 2]" 1
255 1 85 PHE HA 1 85 PHE QD . . 4.380 3.404 2.137 3.799 . 0 0 "[ . 1 . 2]" 1
256 1 26 ASP HA 1 29 ASN HB2 . . 4.020 3.404 2.901 4.090 0.070 15 0 "[ . 1 . 2]" 1
257 1 30 GLU HA 1 30 GLU QG . . 3.710 2.750 2.347 3.106 . 0 0 "[ . 1 . 2]" 1
258 1 26 ASP HA 1 29 ASN H . . 4.390 3.553 3.207 3.957 . 0 0 "[ . 1 . 2]" 1
259 1 30 GLU HA 1 32 ARG H . . 4.900 4.459 3.864 4.784 . 0 0 "[ . 1 . 2]" 1
260 1 64 ASP HA 1 65 ALA H . . 3.730 3.533 3.492 3.601 . 0 0 "[ . 1 . 2]" 1
261 1 75 GLU HA 1 75 GLU QG . . 3.800 2.508 2.294 3.099 . 0 0 "[ . 1 . 2]" 1
262 1 53 PHE HA 1 53 PHE QE . . 4.510 4.780 4.623 4.889 0.379 20 0 "[ . 1 . 2]" 1
263 1 53 PHE HA 1 54 ILE H . . 3.450 2.175 2.122 2.233 . 0 0 "[ . 1 . 2]" 1
264 1 8 GLU HA 1 9 SER H . . 3.100 2.709 2.136 3.226 0.126 3 0 "[ . 1 . 2]" 1
265 1 29 ASN HA 1 32 ARG QG . . 4.670 3.085 2.118 4.623 . 0 0 "[ . 1 . 2]" 1
266 1 14 TYR HA 1 15 VAL H . . 3.330 2.165 2.087 2.284 . 0 0 "[ . 1 . 2]" 1
267 1 39 LYS HA 1 40 CYS H . . 3.050 2.286 2.184 2.467 . 0 0 "[ . 1 . 2]" 1
268 1 7 ARG HA 1 8 GLU H . . 3.120 2.706 2.090 3.525 0.405 10 0 "[ . 1 . 2]" 1
269 1 88 ARG HA 1 89 GLU H . . 3.480 2.902 2.088 3.567 0.087 13 0 "[ . 1 . 2]" 1
270 1 18 LEU QD 1 51 PHE HA . . 4.140 2.834 2.256 3.802 . 0 0 "[ . 1 . 2]" 1
271 1 21 HIS HA 1 21 HIS HB3 . . 2.700 2.763 2.312 3.047 0.347 7 0 "[ . 1 . 2]" 1
272 1 78 LYS HA 1 79 LEU H . . 3.140 2.204 2.091 2.508 . 0 0 "[ . 1 . 2]" 1
273 1 59 ALA HA 1 62 ALA H . . 4.200 3.826 3.670 3.986 . 0 0 "[ . 1 . 2]" 1
274 1 59 ALA HA 1 61 ASP H . . 4.820 4.440 3.769 4.828 0.008 7 0 "[ . 1 . 2]" 1
275 1 55 GLU HA 1 56 PHE H . . 3.080 2.195 2.133 2.337 . 0 0 "[ . 1 . 2]" 1
276 1 63 ALA HA 1 67 LYS H . . 4.330 3.937 3.643 4.373 0.043 9 0 "[ . 1 . 2]" 1
277 1 63 ALA HA 1 65 ALA H . . 5.200 4.092 3.773 4.561 . 0 0 "[ . 1 . 2]" 1
278 1 63 ALA HA 1 66 ILE MG . . 4.610 2.541 2.173 3.990 . 0 0 "[ . 1 . 2]" 1
279 1 63 ALA HA 1 66 ILE MD . . 4.980 5.143 4.793 6.168 1.188 8 1 "[ . + 1 . 2]" 1
280 1 44 LYS HA 1 45 THR H . . 3.310 2.274 2.215 2.461 . 0 0 "[ . 1 . 2]" 1
281 1 73 ASP HA 1 74 PHE H . . 3.400 2.182 2.068 2.350 . 0 0 "[ . 1 . 2]" 1
282 1 65 ALA HA 1 67 LYS QD . . 4.760 5.652 4.748 7.155 2.395 8 16 "[** * -+***** ******]" 1
283 1 12 ARG HA 1 13 ILE MG . . 5.520 5.461 4.536 5.605 0.085 20 0 "[ . 1 . 2]" 1
284 1 10 VAL QG 1 12 ARG HA . . 5.200 4.914 3.949 5.993 0.793 7 2 "[ . + 1 - . 2]" 1
285 1 12 ARG HA 1 13 ILE H . . 3.310 2.174 2.081 2.330 . 0 0 "[ . 1 . 2]" 1
286 1 62 ALA HA 1 64 ASP H . . 5.010 4.052 3.530 4.540 . 0 0 "[ . 1 . 2]" 1
287 1 62 ALA HA 1 66 ILE H . . 5.200 4.682 4.125 5.355 0.155 8 0 "[ . 1 . 2]" 1
288 1 62 ALA HA 1 63 ALA MB . . 5.210 4.983 4.820 5.057 . 0 0 "[ . 1 . 2]" 1
289 1 62 ALA HA 1 65 ALA H . . 4.600 3.467 2.939 3.865 . 0 0 "[ . 1 . 2]" 1
290 1 36 ASN HA 1 37 ILE H . . 3.000 2.140 2.058 2.244 . 0 0 "[ . 1 . 2]" 1
291 1 80 ARG HA 1 80 ARG QG . . 3.640 2.454 2.180 2.677 . 0 0 "[ . 1 . 2]" 1
292 1 80 ARG HA 1 81 VAL H . . 3.310 2.178 2.089 2.317 . 0 0 "[ . 1 . 2]" 1
293 1 43 LYS HA 1 44 LYS H . . 3.190 2.453 2.326 2.614 . 0 0 "[ . 1 . 2]" 1
294 1 43 LYS HA 1 43 LYS QD . . 4.240 3.450 2.188 4.213 . 0 0 "[ . 1 . 2]" 1
295 1 43 LYS HA 1 44 LYS QD . . 5.200 3.809 3.510 5.546 0.346 19 0 "[ . 1 . 2]" 1
296 1 43 LYS HA 1 44 LYS QB . . 5.200 4.214 3.534 4.477 . 0 0 "[ . 1 . 2]" 1
297 1 17 ASN HA 1 18 LEU H . . 3.740 2.791 2.597 2.993 . 0 0 "[ . 1 . 2]" 1
298 1 17 ASN HA 1 50 ALA H . . 4.470 3.057 2.682 3.616 . 0 0 "[ . 1 . 2]" 1
299 1 41 ASP HA 1 42 VAL H . . 2.890 2.379 2.108 2.592 . 0 0 "[ . 1 . 2]" 1
300 1 86 ASN HA 1 87 ALA MB . . 4.490 4.393 3.917 4.936 0.446 4 0 "[ . 1 . 2]" 1
301 1 86 ASN HA 1 87 ALA H . . 3.250 2.862 2.120 3.595 0.345 2 0 "[ . 1 . 2]" 1
302 1 58 ASP HA 1 59 ALA H . . 3.190 2.215 2.077 2.533 . 0 0 "[ . 1 . 2]" 1
303 1 58 ASP HA 1 59 ALA MB . . 4.560 3.956 3.859 4.099 . 0 0 "[ . 1 . 2]" 1
304 1 87 ALA HA 1 88 ARG H . . 3.300 2.693 2.076 3.596 0.296 9 0 "[ . 1 . 2]" 1
305 1 49 ALA HA 1 50 ALA H . . 3.020 2.248 2.145 2.329 . 0 0 "[ . 1 . 2]" 1
306 1 17 ASN HA 1 49 ALA HA . . 3.680 3.756 3.031 4.740 1.060 3 1 "[ + . 1 . 2]" 1
307 1 44 LYS QB 1 50 ALA HA . . 4.980 2.890 2.411 4.327 . 0 0 "[ . 1 . 2]" 1
308 1 44 LYS QD 1 50 ALA HA . . 5.200 5.366 2.305 5.903 0.703 3 3 "[ + . * 1 . -]" 1
309 1 45 THR MG 1 50 ALA HA . . 5.100 4.429 3.950 4.828 . 0 0 "[ . 1 . 2]" 1
310 1 50 ALA HA 1 51 PHE H . . 3.100 2.268 2.145 2.335 . 0 0 "[ . 1 . 2]" 1
311 1 44 LYS HA 1 50 ALA HA . . 3.350 2.246 2.021 2.622 . 0 0 "[ . 1 . 2]" 1
312 1 18 LEU HB2 1 19 PRO HD2 . . 4.830 2.954 2.115 4.288 . 0 0 "[ . 1 . 2]" 1
313 1 18 LEU HB2 1 19 PRO HD3 . . 4.480 4.145 3.319 5.076 0.596 2 3 "[ + -. 1* . 2]" 1
314 1 51 PHE H 1 52 ALA HA . . 5.040 4.819 4.657 4.977 . 0 0 "[ . 1 . 2]" 1
315 1 52 ALA HA 1 54 ILE H . . 5.200 6.161 5.931 6.335 1.135 4 20 [***+***************-] 1
316 1 43 LYS H 1 52 ALA HA . . 3.940 3.501 3.272 3.790 . 0 0 "[ . 1 . 2]" 1
317 1 52 ALA HA 1 53 PHE H . . 3.150 2.177 2.109 2.294 . 0 0 "[ . 1 . 2]" 1
318 1 42 VAL HA 1 52 ALA HA . . 3.370 2.273 2.097 2.519 . 0 0 "[ . 1 . 2]" 1
319 1 42 VAL QG 1 52 ALA HA . . 4.430 2.579 2.145 3.535 . 0 0 "[ . 1 . 2]" 1
320 1 58 ASP QB 1 59 ALA H . . 4.640 3.485 2.281 3.957 . 0 0 "[ . 1 . 2]" 1
321 1 58 ASP QB 1 60 ARG H . . 4.670 3.848 3.254 4.507 . 0 0 "[ . 1 . 2]" 1
322 1 58 ASP QB 1 61 ASP H . . 4.570 2.953 2.386 3.477 . 0 0 "[ . 1 . 2]" 1
323 1 39 LYS QD 1 41 ASP QB . . 4.900 4.207 3.002 6.023 1.123 8 2 "[ - . + 1 . 2]" 1
324 1 39 LYS QB 1 41 ASP QB . . 5.200 5.553 4.745 6.008 0.808 8 10 "[ * *+*** *-.** 2]" 1
325 1 39 LYS QG 1 41 ASP QB . . 5.100 4.834 3.482 6.440 1.340 3 2 "[ + . - 1 . 2]" 1
326 1 40 CYS HA 1 41 ASP QB . . 4.970 4.146 3.735 4.706 . 0 0 "[ . 1 . 2]" 1
327 1 41 ASP QB 1 53 PHE QB . . 4.650 3.905 2.898 4.397 . 0 0 "[ . 1 . 2]" 1
328 1 40 CYS QB 1 41 ASP QB . . 5.200 4.943 4.662 5.407 0.207 2 0 "[ . 1 . 2]" 1
329 1 57 GLU QG 1 58 ASP QB . . 5.190 3.724 2.795 4.571 . 0 0 "[ . 1 . 2]" 1
330 1 41 ASP H 1 41 ASP QB . . 3.630 2.902 2.716 3.149 . 0 0 "[ . 1 . 2]" 1
331 1 41 ASP QB 1 42 VAL H . . 4.200 2.719 2.096 3.285 . 0 0 "[ . 1 . 2]" 1
332 1 80 ARG HA 1 80 ARG HD2 . . 4.810 4.618 4.186 5.043 0.233 8 0 "[ . 1 . 2]" 1
333 1 80 ARG HA 1 80 ARG HD3 . . 4.620 4.843 4.200 5.059 0.439 18 0 "[ . 1 . 2]" 1
334 1 60 ARG HA 1 60 ARG QD . . 4.810 3.827 3.268 4.547 . 0 0 "[ . 1 . 2]" 1
335 1 58 ASP QB 1 60 ARG QD . . 4.990 4.146 2.337 5.719 0.729 2 2 "[ + . - 1 . 2]" 1
336 1 14 TYR QE 1 16 GLY HA3 . . 4.430 3.203 2.431 3.558 . 0 0 "[ . 1 . 2]" 1
337 1 80 ARG QB 1 80 ARG HD3 . . 3.710 3.265 2.628 3.361 . 0 0 "[ . 1 . 2]" 1
338 1 88 ARG HA 1 88 ARG QD . . 4.760 2.820 2.109 4.294 . 0 0 "[ . 1 . 2]" 1
339 1 25 ARG HA 1 25 ARG QD . . 4.150 3.712 3.507 4.189 0.039 11 0 "[ . 1 . 2]" 1
340 1 73 ASP HB2 1 74 PHE H . . 4.850 4.210 4.025 4.469 . 0 0 "[ . 1 . 2]" 1
341 1 73 ASP H 1 73 ASP HB2 . . 3.400 2.688 2.203 3.156 . 0 0 "[ . 1 . 2]" 1
342 1 73 ASP H 1 73 ASP HB3 . . 3.370 3.224 2.842 3.745 0.375 9 0 "[ . 1 . 2]" 1
343 1 42 VAL QG 1 53 PHE QB . . 4.960 5.219 4.761 6.061 1.101 3 5 "[ +*. 1 - * *]" 1
344 1 53 PHE QB 1 54 ILE QG . . 5.200 4.690 4.592 4.761 . 0 0 "[ . 1 . 2]" 1
345 1 42 VAL QG 1 44 LYS QE . . 5.200 3.781 2.402 4.291 . 0 0 "[ . 1 . 2]" 1
346 1 53 PHE QB 1 55 GLU H . . 5.200 5.162 4.860 5.628 0.428 20 0 "[ . 1 . 2]" 1
347 1 67 LYS QE 1 68 GLU QB . . 5.150 3.642 3.193 4.806 . 0 0 "[ . 1 . 2]" 1
348 1 67 LYS QE 1 68 GLU QG . . 5.200 4.561 4.012 5.589 0.389 14 0 "[ . 1 . 2]" 1
349 1 40 CYS HA 1 53 PHE QB . . 4.050 4.517 4.083 4.903 0.853 18 9 "[ ** * * * *- + *]" 1
350 1 44 LYS QE 1 45 THR HA . . 5.200 6.473 6.037 6.905 1.705 19 20 [*******-**********+*] 1
351 1 39 LYS QE 1 40 CYS HA . . 5.200 3.987 2.824 5.783 0.583 2 1 "[ + . 1 . 2]" 1
352 1 76 GLY QA 1 78 LYS QE . . 4.720 3.853 2.966 5.293 0.573 9 1 "[ . +1 . 2]" 1
353 1 39 LYS QE 1 41 ASP QB . . 4.860 2.788 1.988 4.153 . 0 0 "[ . 1 . 2]" 1
354 1 34 TYR QE 1 69 LYS QE . . 4.390 4.441 3.391 5.690 1.300 9 7 "[* * .-* +1 * .* 2]" 1
355 1 69 LYS HA 1 69 LYS QE . . 4.590 3.291 1.942 4.359 . 0 0 "[ . 1 . 2]" 1
356 1 33 LYS QE 1 62 ALA MB . . 4.340 6.713 5.924 7.311 2.971 10 20 [********-+**********] 1
357 1 33 LYS QE 1 34 TYR QE . . 4.080 2.901 2.122 3.991 . 0 0 "[ . 1 . 2]" 1
358 1 68 GLU QG 1 69 LYS QE . . 2.920 2.465 1.939 3.567 0.647 20 1 "[ . 1 . +]" 1
359 1 70 ASP H 1 70 ASP QB . . 3.710 2.406 2.302 2.594 . 0 0 "[ . 1 . 2]" 1
360 1 70 ASP QB 1 81 VAL QG . . 5.200 3.924 3.059 4.871 . 0 0 "[ . 1 . 2]" 1
361 1 51 PHE HB2 1 52 ALA H . . 4.610 3.992 3.254 4.315 . 0 0 "[ . 1 . 2]" 1
362 1 51 PHE HB3 1 52 ALA H . . 4.630 3.274 2.721 3.517 . 0 0 "[ . 1 . 2]" 1
363 1 70 ASP QB 1 81 VAL HB . . 3.790 4.624 3.561 5.858 2.068 3 16 "[**+-** ***** **** *]" 1
364 1 56 PHE HB2 1 57 GLU H . . 4.370 4.120 3.453 4.411 0.041 2 0 "[ . 1 . 2]" 1
365 1 31 PHE QB 1 54 ILE MD . . 5.110 4.451 3.441 5.391 0.281 7 0 "[ . 1 . 2]" 1
366 1 23 SER H 1 26 ASP QB . . 4.090 2.860 2.011 3.676 . 0 0 "[ . 1 . 2]" 1
367 1 26 ASP H 1 26 ASP QB . . 3.840 2.426 2.183 2.540 . 0 0 "[ . 1 . 2]" 1
368 1 22 VAL HB 1 26 ASP QB . . 4.370 3.539 2.189 5.128 0.758 3 1 "[ + . 1 . 2]" 1
369 1 26 ASP QB 1 27 VAL QG . . 4.220 3.398 2.917 4.034 . 0 0 "[ . 1 . 2]" 1
370 1 14 TYR QB 1 15 VAL H . . 4.960 3.632 3.524 3.839 . 0 0 "[ . 1 . 2]" 1
371 1 14 TYR H 1 14 TYR QB . . 3.780 2.501 2.314 2.694 . 0 0 "[ . 1 . 2]" 1
372 1 54 ILE HB 1 85 PHE QE . . 5.020 5.967 5.328 6.776 1.756 1 19 "[+****** ********-***]" 1
373 1 54 ILE H 1 54 ILE HB . . 4.200 2.847 2.699 3.007 . 0 0 "[ . 1 . 2]" 1
374 1 13 ILE MD 1 54 ILE HB . . 4.530 3.155 2.023 4.782 0.252 1 0 "[ . 1 . 2]" 1
375 1 27 VAL QG 1 54 ILE HB . . 5.200 4.642 3.728 6.222 1.022 8 1 "[ . + 1 . 2]" 1
376 1 64 ASP H 1 64 ASP HB2 . . 3.760 2.414 2.339 2.532 . 0 0 "[ . 1 . 2]" 1
377 1 64 ASP H 1 64 ASP HB3 . . 3.740 3.396 2.446 3.631 . 0 0 "[ . 1 . 2]" 1
378 1 64 ASP HB3 1 65 ALA H . . 4.110 3.658 2.638 4.021 . 0 0 "[ . 1 . 2]" 1
379 1 61 ASP HB2 1 62 ALA H . . 4.430 3.617 2.337 3.943 . 0 0 "[ . 1 . 2]" 1
380 1 61 ASP H 1 61 ASP HB3 . . 4.400 2.708 2.230 3.670 . 0 0 "[ . 1 . 2]" 1
381 1 37 ILE HB 1 54 ILE HA . . 5.500 5.752 4.906 6.297 0.797 3 4 "[ + . - 1 *. *2]" 1
382 1 36 ASN HA 1 37 ILE HB . . 5.200 4.861 4.607 5.092 . 0 0 "[ . 1 . 2]" 1
383 1 76 GLY QA 1 77 ASN QB . . 4.800 4.454 3.881 4.662 . 0 0 "[ . 1 . 2]" 1
384 1 61 ASP H 1 61 ASP HB2 . . 4.130 2.471 2.296 2.920 . 0 0 "[ . 1 . 2]" 1
385 1 61 ASP HB3 1 62 ALA H . . 4.590 2.638 2.301 3.495 . 0 0 "[ . 1 . 2]" 1
386 1 85 PHE H 1 85 PHE HB2 . . 4.040 3.361 2.350 3.978 . 0 0 "[ . 1 . 2]" 1
387 1 85 PHE H 1 85 PHE HB3 . . 4.060 3.088 2.671 4.007 . 0 0 "[ . 1 . 2]" 1
388 1 66 ILE H 1 66 ILE HB . . 3.750 2.243 2.030 2.635 . 0 0 "[ . 1 . 2]" 1
389 1 66 ILE HB 1 69 LYS QG . . 5.170 5.501 4.806 6.524 1.354 20 4 "[* . - 1 *. +]" 1
390 1 66 ILE HB 1 67 LYS QG . . 5.200 5.402 4.479 6.003 0.803 18 4 "[ . *1 *- . + 2]" 1
391 1 63 ALA MB 1 66 ILE HB . . 5.200 4.565 3.699 5.820 0.620 18 1 "[ . 1 . + 2]" 1
392 1 86 ASN H 1 86 ASN HB2 . . 4.230 3.135 2.345 3.711 . 0 0 "[ . 1 . 2]" 1
393 1 86 ASN H 1 86 ASN HB3 . . 4.260 3.170 2.416 4.082 . 0 0 "[ . 1 . 2]" 1
394 1 86 ASN HB3 1 87 ALA H . . 4.560 4.134 2.666 4.686 0.126 6 0 "[ . 1 . 2]" 1
395 1 36 ASN QB 1 57 GLU QB . . 4.290 3.046 2.115 4.378 0.088 4 0 "[ . 1 . 2]" 1
396 1 36 ASN H 1 36 ASN QB . . 3.650 2.357 2.166 2.542 . 0 0 "[ . 1 . 2]" 1
397 1 36 ASN QB 1 37 ILE H . . 4.510 3.534 2.854 3.938 . 0 0 "[ . 1 . 2]" 1
398 1 36 ASN QB 1 57 GLU QG . . 4.260 2.927 2.079 4.466 0.206 19 0 "[ . 1 . 2]" 1
399 1 29 ASN H 1 29 ASN HB2 . . 3.650 2.357 2.149 2.448 . 0 0 "[ . 1 . 2]" 1
400 1 29 ASN HB2 1 30 GLU H . . 4.960 3.549 2.589 4.092 . 0 0 "[ . 1 . 2]" 1
401 1 29 ASN H 1 29 ASN HB3 . . 3.540 3.054 2.496 3.651 0.111 7 0 "[ . 1 . 2]" 1
402 1 34 TYR HB3 1 65 ALA MB . . 5.210 3.100 2.413 5.025 . 0 0 "[ . 1 . 2]" 1
403 1 34 TYR QE 1 68 GLU QG . . 4.740 4.171 3.395 4.711 . 0 0 "[ . 1 . 2]" 1
404 1 68 GLU H 1 68 GLU QG . . 4.160 2.467 1.940 3.459 . 0 0 "[ . 1 . 2]" 1
405 1 68 GLU QG 1 69 LYS QB . . 3.840 4.106 3.738 4.554 0.714 16 3 "[ . 1- .+ *2]" 1
406 1 67 LYS QD 1 68 GLU QG . . 4.210 4.270 3.352 5.206 0.996 16 5 "[ . ** 1 -+ * 2]" 1
407 1 67 LYS QG 1 68 GLU QG . . 5.130 4.441 3.879 5.337 0.207 18 0 "[ . 1 . 2]" 1
408 1 68 GLU QG 1 69 LYS QG . . 5.200 2.597 2.175 3.439 . 0 0 "[ . 1 . 2]" 1
409 1 28 GLU QG 1 37 ILE MD . . 4.920 2.556 2.115 3.896 . 0 0 "[ . 1 . 2]" 1
410 1 39 LYS QB 1 40 CYS H . . 4.680 3.375 2.300 3.830 . 0 0 "[ . 1 . 2]" 1
411 1 38 LEU QD 1 57 GLU QG . . 5.250 3.376 2.282 3.964 . 0 0 "[ . 1 . 2]" 1
412 1 57 GLU H 1 57 GLU QG . . 4.800 3.046 1.961 4.090 . 0 0 "[ . 1 . 2]" 1
413 1 89 GLU H 1 89 GLU QG . . 4.910 3.144 2.208 4.374 . 0 0 "[ . 1 . 2]" 1
414 1 8 GLU H 1 8 GLU QG . . 4.480 3.585 2.063 4.458 . 0 0 "[ . 1 . 2]" 1
415 1 43 LYS H 1 43 LYS HB3 . . 4.140 3.825 3.594 3.955 . 0 0 "[ . 1 . 2]" 1
416 1 43 LYS HB3 1 44 LYS H . . 4.630 2.367 2.140 2.534 . 0 0 "[ . 1 . 2]" 1
417 1 43 LYS HB3 1 51 PHE QD . . 5.010 4.006 2.992 4.926 . 0 0 "[ . 1 . 2]" 1
418 1 44 LYS QB 1 45 THR H . . 4.300 2.657 2.433 3.312 . 0 0 "[ . 1 . 2]" 1
419 1 43 LYS H 1 44 LYS QB . . 5.200 5.105 4.810 5.554 0.354 8 0 "[ . 1 . 2]" 1
420 1 75 GLU H 1 75 GLU QG . . 4.430 3.198 2.601 4.290 . 0 0 "[ . 1 . 2]" 1
421 1 82 GLU H 1 82 GLU HG2 . . 5.110 4.646 4.336 5.099 . 0 0 "[ . 1 . 2]" 1
422 1 66 ILE MD 1 81 VAL HB . . 3.960 3.964 2.721 5.704 1.744 20 4 "[ - 1 *. *+]" 1
423 1 81 VAL H 1 81 VAL HB . . 4.200 2.963 2.445 3.841 . 0 0 "[ . 1 . 2]" 1
424 1 15 VAL H 1 15 VAL HB . . 4.250 3.387 2.848 3.979 . 0 0 "[ . 1 . 2]" 1
425 1 42 VAL HB 1 43 LYS H . . 5.010 3.897 2.658 4.314 . 0 0 "[ . 1 . 2]" 1
426 1 42 VAL H 1 42 VAL HB . . 3.550 3.026 2.450 3.921 0.371 1 0 "[ . 1 . 2]" 1
427 1 10 VAL HB 1 11 SER H . . 4.070 4.115 2.723 4.526 0.456 14 0 "[ . 1 . 2]" 1
428 1 10 VAL H 1 10 VAL HB . . 4.000 3.129 2.476 3.960 . 0 0 "[ . 1 . 2]" 1
429 1 22 VAL HB 1 27 VAL H . . 5.010 4.394 3.016 6.543 1.533 3 6 "[ + .*- 1 * .* *2]" 1
430 1 22 VAL HB 1 27 VAL QG . . 4.490 3.018 2.119 4.789 0.299 7 0 "[ . 1 . 2]" 1
431 1 67 LYS H 1 67 LYS QB . . 3.520 2.489 2.387 2.745 . 0 0 "[ . 1 . 2]" 1
432 1 67 LYS QB 1 68 GLU H . . 4.040 3.831 3.694 4.028 . 0 0 "[ . 1 . 2]" 1
433 1 22 VAL HB 1 23 SER H . . 5.000 3.415 2.749 4.244 . 0 0 "[ . 1 . 2]" 1
434 1 80 ARG QB 1 81 VAL H . . 4.690 3.735 3.456 4.098 . 0 0 "[ . 1 . 2]" 1
435 1 19 PRO HB2 1 20 SER H . . 4.340 3.256 2.502 3.879 . 0 0 "[ . 1 . 2]" 1
436 1 78 LYS HB2 1 78 LYS QE . . 4.880 3.656 2.148 4.073 . 0 0 "[ . 1 . 2]" 1
437 1 78 LYS H 1 78 LYS HB3 . . 3.970 3.562 2.981 3.874 . 0 0 "[ . 1 . 2]" 1
438 1 46 VAL H 1 46 VAL HB . . 3.560 3.223 2.271 3.650 0.090 3 0 "[ . 1 . 2]" 1
439 1 46 VAL HB 1 47 SER H . . 4.490 3.952 3.033 4.190 . 0 0 "[ . 1 . 2]" 1
440 1 39 LYS H 1 55 GLU QB . . 4.520 2.320 1.902 2.864 . 0 0 "[ . 1 . 2]" 1
441 1 27 VAL HB 1 28 GLU H . . 3.800 3.289 2.514 4.129 0.329 3 0 "[ . 1 . 2]" 1
442 1 27 VAL H 1 27 VAL HB . . 3.580 2.843 2.353 3.727 0.147 19 0 "[ . 1 . 2]" 1
443 1 33 LYS H 1 33 LYS HB2 . . 4.080 3.508 2.704 3.687 . 0 0 "[ . 1 . 2]" 1
444 1 33 LYS H 1 33 LYS HB3 . . 4.080 2.376 2.059 2.686 . 0 0 "[ . 1 . 2]" 1
445 1 38 LEU HG 1 57 GLU QB . . 4.520 4.079 3.088 4.872 0.352 20 0 "[ . 1 . 2]" 1
446 1 38 LEU QD 1 57 GLU QB . . 4.680 2.399 2.025 3.592 . 0 0 "[ . 1 . 2]" 1
447 1 88 ARG QB 1 89 GLU H . . 4.430 3.373 2.439 4.024 . 0 0 "[ . 1 . 2]" 1
448 1 8 GLU QB 1 9 SER H . . 4.560 3.347 2.005 4.038 . 0 0 "[ . 1 . 2]" 1
449 1 33 LYS H 1 33 LYS QD . . 4.950 4.287 1.877 4.635 . 0 0 "[ . 1 . 2]" 1
450 1 25 ARG H 1 25 ARG HB2 . . 3.780 2.732 2.441 3.631 . 0 0 "[ . 1 . 2]" 1
451 1 25 ARG H 1 25 ARG HB3 . . 3.830 2.956 2.265 3.663 . 0 0 "[ . 1 . 2]" 1
452 1 28 GLU QB 1 37 ILE MD . . 4.920 3.248 2.302 4.181 . 0 0 "[ . 1 . 2]" 1
453 1 28 GLU H 1 28 GLU QB . . 3.810 2.220 2.138 2.332 . 0 0 "[ . 1 . 2]" 1
454 1 32 ARG H 1 32 ARG HB2 . . 4.150 2.878 2.164 3.636 . 0 0 "[ . 1 . 2]" 1
455 1 30 GLU H 1 30 GLU QB . . 3.840 2.225 2.165 2.309 . 0 0 "[ . 1 . 2]" 1
456 1 25 ARG QG 1 28 GLU QB . . 4.880 4.451 3.755 5.174 0.294 4 0 "[ . 1 . 2]" 1
457 1 28 GLU QB 1 32 ARG QG . . 5.200 4.911 3.335 5.774 0.574 1 1 "[+ . 1 . 2]" 1
458 1 30 GLU QB 1 32 ARG QG . . 5.200 5.889 5.116 6.680 1.480 17 10 "[ ***** 1-***. + 2]" 1
459 1 32 ARG HB3 1 33 LYS H . . 4.960 3.996 3.509 4.579 . 0 0 "[ . 1 . 2]" 1
460 1 60 ARG H 1 60 ARG QB . . 3.630 2.450 2.220 2.699 . 0 0 "[ . 1 . 2]" 1
461 1 60 ARG QB 1 61 ASP H . . 4.620 3.338 2.591 4.023 . 0 0 "[ . 1 . 2]" 1
462 1 59 ALA H 1 60 ARG QB . . 5.010 4.973 4.464 5.366 0.356 8 0 "[ . 1 . 2]" 1
463 1 67 LYS HA 1 67 LYS QD . . 4.660 3.776 3.684 3.880 . 0 0 "[ . 1 . 2]" 1
464 1 29 ASN HA 1 32 ARG HB2 . . 4.910 4.037 2.691 5.443 0.533 19 1 "[ . 1 . +2]" 1
465 1 29 ASN HA 1 30 GLU QB . . 5.200 5.187 5.132 5.245 0.045 9 0 "[ . 1 . 2]" 1
466 1 78 LYS HA 1 78 LYS QD . . 5.000 3.396 2.175 4.526 . 0 0 "[ . 1 . 2]" 1
467 1 42 VAL H 1 43 LYS QD . . 5.200 4.738 3.689 7.207 2.007 14 3 "[ . * 1 +. -2]" 1
468 1 44 LYS H 1 44 LYS QD . . 5.030 2.413 2.178 4.661 . 0 0 "[ . 1 . 2]" 1
469 1 72 CYS QB 1 82 GLU QB . . 4.810 4.708 3.663 6.206 1.396 8 2 "[ -. + 1 . 2]" 1
470 1 72 CYS H 1 72 CYS QB . . 3.610 2.554 2.485 2.632 . 0 0 "[ . 1 . 2]" 1
471 1 43 LYS H 1 43 LYS QD . . 4.890 3.131 2.238 4.672 . 0 0 "[ . 1 . 2]" 1
472 1 43 LYS QD 1 51 PHE QD . . 5.190 4.731 2.806 5.279 0.089 17 0 "[ . 1 . 2]" 1
473 1 44 LYS QD 1 51 PHE QD . . 5.200 5.974 5.272 7.056 1.856 8 16 "[ ** ***+ ***-***** *]" 1
474 1 44 LYS QD 1 45 THR HA . . 4.520 4.898 4.393 5.718 1.198 19 3 "[ * . - . +2]" 1
475 1 39 LYS QD 1 40 CYS HA . . 5.200 4.231 3.087 5.848 0.648 2 1 "[ + . 1 . 2]" 1
476 1 42 VAL HA 1 43 LYS QD . . 5.200 3.857 2.619 6.007 0.807 14 2 "[ . - 1 +. 2]" 1
477 1 69 LYS HA 1 69 LYS QD . . 4.020 2.443 2.155 2.899 . 0 0 "[ . 1 . 2]" 1
478 1 12 ARG HG2 1 13 ILE H . . 5.180 4.326 2.753 5.668 0.488 19 0 "[ . 1 . 2]" 1
479 1 12 ARG H 1 12 ARG HG2 . . 5.210 3.679 2.417 5.082 . 0 0 "[ . 1 . 2]" 1
480 1 12 ARG HG3 1 13 ILE H . . 5.090 4.556 3.129 5.350 0.260 9 0 "[ . 1 . 2]" 1
481 1 52 ALA MB 1 54 ILE QG . . 3.900 3.616 3.154 4.198 0.298 4 0 "[ . 1 . 2]" 1
482 1 32 ARG H 1 32 ARG QG . . 4.850 2.474 1.980 2.993 . 0 0 "[ . 1 . 2]" 1
483 1 38 LEU H 1 38 LEU HG . . 4.870 3.479 2.453 4.300 . 0 0 "[ . 1 . 2]" 1
484 1 54 ILE H 1 54 ILE QG . . 4.710 3.477 3.333 3.647 . 0 0 "[ . 1 . 2]" 1
485 1 54 ILE QG 1 55 GLU H . . 5.200 4.412 4.133 4.583 . 0 0 "[ . 1 . 2]" 1
486 1 27 VAL QG 1 54 ILE QG . . 4.260 2.565 1.942 4.341 0.081 8 0 "[ . 1 . 2]" 1
487 1 37 ILE MD 1 40 CYS QB . . 4.100 2.597 2.114 3.478 . 0 0 "[ . 1 . 2]" 1
488 1 60 ARG QG 1 61 ASP H . . 5.000 3.642 2.518 4.675 . 0 0 "[ . 1 . 2]" 1
489 1 80 ARG QG 1 81 VAL H . . 4.540 2.701 2.191 3.808 . 0 0 "[ . 1 . 2]" 1
490 1 80 ARG H 1 80 ARG QG . . 4.170 4.057 3.873 4.183 0.013 4 0 "[ . 1 . 2]" 1
491 1 88 ARG H 1 88 ARG QG . . 4.830 3.912 2.368 4.482 . 0 0 "[ . 1 . 2]" 1
492 1 60 ARG H 1 60 ARG QG . . 3.790 3.205 2.236 4.101 0.311 10 0 "[ . 1 . 2]" 1
493 1 25 ARG QG 1 26 ASP H . . 4.400 4.192 2.802 4.625 0.225 6 0 "[ . 1 . 2]" 1
494 1 25 ARG H 1 25 ARG QG . . 4.200 3.385 2.154 4.106 . 0 0 "[ . 1 . 2]" 1
495 1 18 LEU QD 1 52 ALA H . . 5.440 2.710 2.265 3.864 . 0 0 "[ . 1 . 2]" 1
496 1 13 ILE H 1 13 ILE QG . . 4.910 2.753 2.200 3.443 . 0 0 "[ . 1 . 2]" 1
497 1 44 LYS H 1 44 LYS QG . . 4.800 3.654 3.451 4.346 . 0 0 "[ . 1 . 2]" 1
498 1 43 LYS QG 1 44 LYS QE . . 4.330 5.303 4.700 6.268 1.938 19 19 "[*******-**** *****+*]" 1
499 1 43 LYS QG 1 53 PHE QB . . 5.200 4.734 3.549 5.493 0.293 3 0 "[ . 1 . 2]" 1
500 1 39 LYS QE 1 43 LYS QG . . 5.200 6.424 5.546 7.218 2.018 3 18 "[**+*-******* ***** *]" 1
501 1 43 LYS H 1 43 LYS QG . . 4.360 3.205 2.783 3.765 . 0 0 "[ . 1 . 2]" 1
502 1 27 VAL QG 1 28 GLU H . . 4.730 2.928 2.298 3.465 . 0 0 "[ . 1 . 2]" 1
503 1 27 VAL QG 1 28 GLU QB . . 5.200 3.932 3.261 4.480 . 0 0 "[ . 1 . 2]" 1
504 1 22 VAL QG 1 27 VAL QG . . 4.470 2.109 1.809 2.614 . 0 0 "[ . 1 . 2]" 1
505 1 27 VAL H 1 27 VAL QG . . 3.620 2.166 1.924 2.504 . 0 0 "[ . 1 . 2]" 1
506 1 69 LYS H 1 69 LYS QG . . 4.940 2.569 2.352 2.862 . 0 0 "[ . 1 . 2]" 1
507 1 43 LYS H 1 52 ALA MB . . 5.120 4.585 3.763 5.116 . 0 0 "[ . 1 . 2]" 1
508 1 42 VAL H 1 52 ALA MB . . 4.630 5.229 4.029 5.847 1.217 14 13 "[ - ** ****** +.*** 2]" 1
509 1 41 ASP H 1 52 ALA MB . . 5.200 4.587 3.898 5.310 0.110 5 0 "[ . 1 . 2]" 1
510 1 52 ALA MB 1 53 PHE H . . 3.870 2.827 2.535 2.965 . 0 0 "[ . 1 . 2]" 1
511 1 51 PHE HA 1 52 ALA MB . . 5.020 4.075 3.901 4.155 . 0 0 "[ . 1 . 2]" 1
512 1 42 VAL HA 1 52 ALA MB . . 3.960 3.475 2.358 4.032 0.072 5 0 "[ . 1 . 2]" 1
513 1 52 ALA MB 1 53 PHE QB . . 5.210 4.737 4.627 4.828 . 0 0 "[ . 1 . 2]" 1
514 1 42 VAL QG 1 52 ALA MB . . 3.530 2.294 1.945 3.049 . 0 0 "[ . 1 . 2]" 1
515 1 18 LEU QD 1 52 ALA MB . . 3.860 2.257 1.924 3.421 . 0 0 "[ . 1 . 2]" 1
516 1 52 ALA MB 1 54 ILE H . . 5.280 5.160 4.905 5.554 0.274 4 0 "[ . 1 . 2]" 1
517 1 51 PHE H 1 52 ALA MB . . 5.200 4.939 4.609 5.297 0.097 5 0 "[ . 1 . 2]" 1
518 1 33 LYS QG 1 34 TYR H . . 5.070 2.822 2.477 3.493 . 0 0 "[ . 1 . 2]" 1
519 1 33 LYS QG 1 34 TYR QE . . 5.270 3.067 2.615 3.544 . 0 0 "[ . 1 . 2]" 1
520 1 33 LYS H 1 33 LYS QG . . 4.370 2.930 2.346 3.920 . 0 0 "[ . 1 . 2]" 1
521 1 15 VAL QG 1 16 GLY H . . 4.490 2.862 2.421 3.720 . 0 0 "[ . 1 . 2]" 1
522 1 42 VAL QG 1 43 LYS H . . 3.930 2.639 2.187 3.545 . 0 0 "[ . 1 . 2]" 1
523 1 80 ARG HA 1 81 VAL QG . . 5.010 3.580 3.046 4.361 . 0 0 "[ . 1 . 2]" 1
524 1 15 VAL QG 1 16 GLY HA2 . . 4.480 3.930 3.488 4.566 0.086 19 0 "[ . 1 . 2]" 1
525 1 41 ASP HA 1 42 VAL QG . . 5.300 3.387 3.053 3.764 . 0 0 "[ . 1 . 2]" 1
526 1 24 SER H 1 42 VAL QG . . 5.070 3.792 2.824 4.704 . 0 0 "[ . 1 . 2]" 1
527 1 42 VAL H 1 42 VAL QG . . 4.010 2.549 2.051 2.921 . 0 0 "[ . 1 . 2]" 1
528 1 23 SER HA 1 42 VAL QG . . 5.050 3.710 2.885 4.265 . 0 0 "[ . 1 . 2]" 1
529 1 27 VAL QG 1 31 PHE QE . . 4.800 2.660 2.154 3.912 . 0 0 "[ . 1 . 2]" 1
530 1 27 VAL QG 1 54 ILE MD . . 4.010 2.694 2.119 3.812 . 0 0 "[ . 1 . 2]" 1
531 1 45 THR MG 1 51 PHE H . . 4.990 5.646 5.177 5.971 0.981 16 15 "[** ** *****-*+***2]" 1
532 1 44 LYS HA 1 45 THR MG . . 4.860 3.665 3.231 3.903 . 0 0 "[ . 1 . 2]" 1
533 1 45 THR MG 1 49 ALA H . . 4.970 2.967 2.068 5.309 0.339 14 0 "[ . 1 . 2]" 1
534 1 80 ARG QG 1 81 VAL QG . . 4.730 4.185 3.788 4.723 . 0 0 "[ . 1 . 2]" 1
535 1 81 VAL H 1 81 VAL QG . . 4.240 2.745 2.266 3.061 . 0 0 "[ . 1 . 2]" 1
536 1 38 LEU HA 1 38 LEU QD . . 3.950 2.256 2.115 3.079 . 0 0 "[ . 1 . 2]" 1
537 1 45 THR H 1 45 THR MG . . 3.620 2.304 2.032 2.754 . 0 0 "[ . 1 . 2]" 1
538 1 45 THR HA 1 45 THR MG . . 3.400 3.012 2.392 3.260 . 0 0 "[ . 1 . 2]" 1
539 1 45 THR MG 1 47 SER H . . 5.200 3.001 2.179 4.366 . 0 0 "[ . 1 . 2]" 1
540 1 45 THR H 1 50 ALA MB . . 4.930 4.708 4.243 5.102 0.172 4 0 "[ . 1 . 2]" 1
541 1 50 ALA MB 1 51 PHE H . . 3.750 2.610 2.393 2.908 . 0 0 "[ . 1 . 2]" 1
542 1 50 ALA H 1 50 ALA MB . . 3.600 2.450 2.281 2.634 . 0 0 "[ . 1 . 2]" 1
543 1 44 LYS HA 1 50 ALA MB . . 4.090 3.601 3.112 3.950 . 0 0 "[ . 1 . 2]" 1
544 1 49 ALA HA 1 50 ALA MB . . 4.520 3.913 3.795 4.031 . 0 0 "[ . 1 . 2]" 1
545 1 44 LYS QE 1 50 ALA MB . . 5.050 4.067 2.176 4.775 . 0 0 "[ . 1 . 2]" 1
546 1 42 VAL QG 1 50 ALA MB . . 4.250 2.959 2.466 4.490 0.240 1 0 "[ . 1 . 2]" 1
547 1 18 LEU QD 1 50 ALA MB . . 4.420 2.697 2.090 3.904 . 0 0 "[ . 1 . 2]" 1
548 1 22 VAL QG 1 27 VAL H . . 5.200 3.679 2.523 4.728 . 0 0 "[ . 1 . 2]" 1
549 1 42 VAL QG 1 43 LYS HA . . 5.200 3.804 3.417 4.325 . 0 0 "[ . 1 . 2]" 1
550 1 46 VAL MG2 1 47 SER H . . 4.640 3.139 2.448 4.130 . 0 0 "[ . 1 . 2]" 1
551 1 18 LEU H 1 49 ALA MB . . 4.890 4.873 4.254 5.875 0.985 8 3 "[ * . + 1 . -2]" 1
552 1 49 ALA MB 1 50 ALA HA . . 5.490 4.201 4.069 4.393 . 0 0 "[ . 1 . 2]" 1
553 1 10 VAL QG 1 11 SER H . . 4.920 2.948 1.644 3.821 . 0 0 "[ . 1 . 2]" 1
554 1 17 ASN H 1 49 ALA MB . . 5.460 3.381 2.691 4.064 . 0 0 "[ . 1 . 2]" 1
555 1 49 ALA MB 1 50 ALA H . . 3.630 2.773 2.489 3.160 . 0 0 "[ . 1 . 2]" 1
556 1 49 ALA H 1 49 ALA MB . . 3.440 2.255 2.190 2.496 . 0 0 "[ . 1 . 2]" 1
557 1 17 ASN HA 1 49 ALA MB . . 4.120 2.881 2.309 4.316 0.196 3 0 "[ . 1 . 2]" 1
558 1 48 GLY H 1 49 ALA MB . . 5.320 4.420 4.222 4.860 . 0 0 "[ . 1 . 2]" 1
559 1 45 THR MG 1 49 ALA MB . . 2.980 2.560 2.064 4.110 1.130 14 3 "[ * - 1 +. 2]" 1
560 1 9 SER HA 1 10 VAL QG . . 5.200 3.596 3.050 4.401 . 0 0 "[ . 1 . 2]" 1
561 1 87 ALA MB 1 88 ARG QB . . 4.590 4.091 3.288 4.533 . 0 0 "[ . 1 . 2]" 1
562 1 87 ALA MB 1 88 ARG HA . . 5.020 4.216 3.852 4.628 . 0 0 "[ . 1 . 2]" 1
563 1 87 ALA H 1 87 ALA MB . . 3.640 2.669 2.203 2.867 . 0 0 "[ . 1 . 2]" 1
564 1 87 ALA MB 1 89 GLU H . . 5.180 4.190 2.566 5.719 0.539 19 1 "[ . 1 . +2]" 1
565 1 59 ALA MB 1 88 ARG H . . 5.290 4.449 2.932 6.007 0.717 4 1 "[ +. 1 . 2]" 1
566 1 59 ALA MB 1 60 ARG HA . . 4.370 3.869 3.677 4.033 . 0 0 "[ . 1 . 2]" 1
567 1 59 ALA MB 1 88 ARG QG . . 4.050 2.682 2.121 3.750 . 0 0 "[ . 1 . 2]" 1
568 1 59 ALA MB 1 60 ARG H . . 4.240 2.489 2.233 2.725 . 0 0 "[ . 1 . 2]" 1
569 1 59 ALA H 1 59 ALA MB . . 3.410 2.197 2.142 2.585 . 0 0 "[ . 1 . 2]" 1
570 1 59 ALA MB 1 88 ARG HA . . 5.290 4.411 2.931 5.181 . 0 0 "[ . 1 . 2]" 1
571 1 59 ALA MB 1 88 ARG QB . . 4.210 2.660 2.128 4.348 0.138 4 0 "[ . 1 . 2]" 1
572 1 65 ALA MB 1 66 ILE H . . 3.960 2.629 2.287 3.141 . 0 0 "[ . 1 . 2]" 1
573 1 65 ALA H 1 65 ALA MB . . 3.370 2.253 2.190 2.299 . 0 0 "[ . 1 . 2]" 1
574 1 65 ALA MB 1 66 ILE HA . . 5.460 3.934 3.671 4.289 . 0 0 "[ . 1 . 2]" 1
575 1 62 ALA HA 1 65 ALA MB . . 3.860 3.168 2.646 3.951 0.091 7 0 "[ . 1 . 2]" 1
576 1 62 ALA MB 1 65 ALA MB . . 4.410 3.673 3.018 4.240 . 0 0 "[ . 1 . 2]" 1
577 1 65 ALA MB 1 66 ILE MG . . 4.530 4.696 3.616 5.278 0.748 14 4 "[ * . 1 +. -*]" 1
578 1 65 ALA MB 1 66 ILE MD . . 5.200 5.171 3.972 5.762 0.562 9 1 "[ . +1 . 2]" 1
579 1 13 ILE H 1 13 ILE MG . . 4.420 3.799 3.599 4.019 . 0 0 "[ . 1 . 2]" 1
580 1 66 ILE MG 1 82 GLU HA . . 5.140 5.018 4.419 5.761 0.621 7 1 "[ . + 1 . 2]" 1
581 1 13 ILE MG 1 14 TYR H . . 4.600 2.407 2.185 3.488 . 0 0 "[ . 1 . 2]" 1
582 1 13 ILE MG 1 85 PHE QE . . 4.640 4.523 4.096 6.081 1.441 19 1 "[ . 1 . +2]" 1
583 1 62 ALA MB 1 65 ALA H . . 5.320 4.413 3.951 4.703 . 0 0 "[ . 1 . 2]" 1
584 1 62 ALA MB 1 63 ALA H . . 3.850 2.874 2.526 3.360 . 0 0 "[ . 1 . 2]" 1
585 1 34 TYR H 1 62 ALA MB . . 5.200 5.709 5.058 6.329 1.129 12 12 "[** . **-**+* .*** 2]" 1
586 1 62 ALA H 1 62 ALA MB . . 3.520 2.171 2.080 2.212 . 0 0 "[ . 1 . 2]" 1
587 1 59 ALA HA 1 62 ALA MB . . 3.770 2.840 2.304 3.412 . 0 0 "[ . 1 . 2]" 1
588 1 62 ALA MB 1 63 ALA HA . . 5.200 4.007 3.776 4.262 . 0 0 "[ . 1 . 2]" 1
589 1 13 ILE MG 1 54 ILE HB . . 5.060 3.661 3.019 4.624 . 0 0 "[ . 1 . 2]" 1
590 1 22 VAL QG 1 54 ILE QG . . 4.780 5.122 4.453 6.416 1.636 8 5 "[ * *. +-1 . * 2]" 1
591 1 18 LEU HB2 1 22 VAL QG . . 5.200 4.111 2.407 5.338 0.138 2 0 "[ . 1 . 2]" 1
592 1 22 VAL QG 1 23 SER HA . . 5.270 4.225 3.845 4.650 . 0 0 "[ . 1 . 2]" 1
593 1 63 ALA MB 1 64 ASP H . . 3.710 2.777 2.556 3.156 . 0 0 "[ . 1 . 2]" 1
594 1 63 ALA H 1 63 ALA MB . . 3.310 2.200 2.190 2.225 . 0 0 "[ . 1 . 2]" 1
595 1 60 ARG HA 1 63 ALA MB . . 3.700 2.580 2.332 3.036 . 0 0 "[ . 1 . 2]" 1
596 1 63 ALA MB 1 65 ALA H . . 4.920 4.555 4.466 4.716 . 0 0 "[ . 1 . 2]" 1
597 1 63 ALA MB 1 67 LYS H . . 5.200 4.412 3.902 4.926 . 0 0 "[ . 1 . 2]" 1
598 1 63 ALA MB 1 64 ASP HA . . 5.220 4.036 3.926 4.182 . 0 0 "[ . 1 . 2]" 1
599 1 60 ARG QG 1 63 ALA MB . . 4.120 4.516 3.586 5.257 1.137 14 12 "[ **- **1* +*****2]" 1
600 1 37 ILE MD 1 54 ILE HA . . 5.250 4.518 2.891 4.941 . 0 0 "[ . 1 . 2]" 1
601 1 37 ILE MD 1 38 LEU HA . . 5.410 3.603 3.302 5.403 . 0 0 "[ . 1 . 2]" 1
602 1 37 ILE MD 1 38 LEU H . . 4.230 3.313 2.289 4.261 0.031 12 0 "[ . 1 . 2]" 1
603 1 37 ILE MD 1 40 CYS H . . 4.650 3.215 2.953 3.712 . 0 0 "[ . 1 . 2]" 1
604 1 37 ILE MD 1 55 GLU H . . 5.200 4.207 2.520 4.755 . 0 0 "[ . 1 . 2]" 1
605 1 28 GLU H 1 37 ILE MD . . 5.200 5.042 3.956 5.938 0.738 8 1 "[ . + 1 . 2]" 1
606 1 37 ILE H 1 37 ILE MD . . 4.790 4.108 3.776 4.377 . 0 0 "[ . 1 . 2]" 1
607 1 37 ILE MD 1 39 LYS H . . 3.870 2.908 2.028 3.919 0.049 12 0 "[ . 1 . 2]" 1
608 1 37 ILE MD 1 39 LYS HA . . 5.130 2.843 2.129 3.457 . 0 0 "[ . 1 . 2]" 1
609 1 37 ILE HA 1 37 ILE MD . . 4.100 3.565 2.456 4.003 . 0 0 "[ . 1 . 2]" 1
610 1 37 ILE MD 1 38 LEU QD . . 5.450 4.339 3.653 5.122 . 0 0 "[ . 1 . 2]" 1
611 1 66 ILE MD 1 82 GLU HA . . 4.310 3.885 2.476 5.003 0.693 20 2 "[ . 1 -. +]" 1
612 1 66 ILE HB 1 66 ILE MD . . 3.490 3.283 3.262 3.305 . 0 0 "[ . 1 . 2]" 1
613 1 66 ILE MD 1 67 LYS HA . . 4.430 4.315 2.898 5.779 1.349 20 3 "[ . 1 -. *+]" 1
614 1 66 ILE MD 1 70 ASP QB . . 5.200 4.018 2.163 5.643 0.443 20 0 "[ . 1 . 2]" 1
615 1 66 ILE MD 1 67 LYS QB . . 5.200 5.038 3.518 5.980 0.780 19 2 "[ . 1 . +-]" 1
616 1 66 ILE MD 1 81 VAL QG . . 3.190 2.489 1.979 3.456 0.266 12 0 "[ . 1 . 2]" 1
617 1 66 ILE MD 1 81 VAL H . . 5.380 5.848 4.447 7.340 1.960 20 12 "[ ***** *- ** * *+]" 1
618 1 66 ILE MD 1 83 VAL H . . 5.030 4.321 3.225 5.557 0.527 14 1 "[ . 1 +. 2]" 1
619 1 13 ILE H 1 13 ILE MD . . 5.040 3.476 2.147 4.149 . 0 0 "[ . 1 . 2]" 1
620 1 13 ILE MD 1 31 PHE QD . . 5.010 3.227 2.454 5.013 0.003 7 0 "[ . 1 . 2]" 1
621 1 13 ILE MD 1 85 PHE QE . . 4.140 3.585 2.261 5.737 1.597 20 1 "[ . 1 . +]" 1
622 1 13 ILE MD 1 85 PHE QD . . 5.200 5.266 4.180 6.427 1.227 20 3 "[ - . 1 . * +]" 1
623 1 13 ILE MD 1 31 PHE QE . . 3.930 2.985 2.309 4.440 0.510 4 1 "[ +. 1 . 2]" 1
624 1 13 ILE MD 1 13 ILE MG . . 3.730 2.295 2.015 3.226 . 0 0 "[ . 1 . 2]" 1
625 1 54 ILE H 1 54 ILE MD . . 4.970 2.549 2.330 2.780 . 0 0 "[ . 1 . 2]" 1
626 1 54 ILE MD 1 55 GLU H . . 5.200 5.207 5.083 5.264 0.064 6 0 "[ . 1 . 2]" 1
627 1 31 PHE QD 1 54 ILE MD . . 4.640 3.558 2.925 4.310 . 0 0 "[ . 1 . 2]" 1
628 1 54 ILE MD 1 85 PHE QE . . 5.450 6.161 5.068 6.681 1.231 4 18 "[***+*** ********-**2]" 1
629 1 31 PHE QE 1 54 ILE MD . . 5.650 2.722 2.241 4.055 . 0 0 "[ . 1 . 2]" 1
630 1 52 ALA MB 1 54 ILE MD . . 4.740 2.585 2.228 3.218 . 0 0 "[ . 1 . 2]" 1
631 1 22 VAL QG 1 54 ILE MD . . 3.690 4.449 3.943 5.360 1.670 8 17 "[****** +**** **-** *]" 1
632 1 14 TYR QD 1 15 VAL H . . 4.100 3.077 2.375 3.613 . 0 0 "[ . 1 . 2]" 1
633 1 14 TYR QD 1 16 GLY HA3 . . 4.360 4.782 4.365 5.030 0.670 16 8 "[ - *** 1 * *.+ *]" 1
634 1 31 PHE HA 1 34 TYR QD . . 3.320 2.348 2.089 4.712 1.392 9 1 "[ . +1 . 2]" 1
635 1 34 TYR QD 1 65 ALA MB . . 3.720 2.657 2.324 3.132 . 0 0 "[ . 1 . 2]" 1
636 1 51 PHE H 1 51 PHE QE . . 4.040 4.854 4.389 5.123 1.083 4 18 "[***+**********-* * *]" 1
637 1 44 LYS HA 1 51 PHE QE . . 3.960 3.627 2.896 5.329 1.369 8 3 "[ * . + 1 . -]" 1
638 1 51 PHE HA 1 51 PHE QE . . 4.200 4.896 4.676 5.449 1.249 17 19 "[***** -*********+***]" 1
639 1 45 THR MG 1 51 PHE QE . . 3.610 2.475 2.168 3.064 . 0 0 "[ . 1 . 2]" 1
640 1 27 VAL QG 1 31 PHE QD . . 3.490 2.591 2.107 3.315 . 0 0 "[ . 1 . 2]" 1
641 1 31 PHE QD 1 34 TYR QD . . 3.850 3.321 2.425 4.136 0.286 13 0 "[ . 1 . 2]" 1
642 1 31 PHE QD 1 35 GLY H . . 5.200 5.636 4.710 6.736 1.536 18 7 "[* . 1 ** * +-*]" 1
643 1 31 PHE H 1 31 PHE QD . . 4.030 2.937 2.423 3.659 . 0 0 "[ . 1 . 2]" 1
644 1 31 PHE HA 1 31 PHE QD . . 3.900 2.586 2.169 3.030 . 0 0 "[ . 1 . 2]" 1
645 1 27 VAL HB 1 31 PHE QD . . 3.870 3.995 2.262 5.484 1.614 9 11 "[ - ** * +*****. * 2]" 1
646 1 30 GLU QG 1 31 PHE QD . . 5.200 3.679 2.564 4.917 . 0 0 "[ . 1 . 2]" 1
647 1 74 PHE QD 1 75 GLU QG . . 3.830 3.028 2.176 4.610 0.780 2 7 "[ + *. - *** . * 2]" 1
648 1 45 THR MG 1 51 PHE QD . . 4.330 3.876 2.630 4.586 0.256 19 0 "[ . 1 . 2]" 1
649 1 43 LYS HB2 1 51 PHE QD . . 4.760 3.100 2.158 3.906 . 0 0 "[ . 1 . 2]" 1
650 1 43 LYS QG 1 51 PHE QD . . 5.200 4.966 3.937 5.844 0.644 5 2 "[ +- 1 . 2]" 1
651 1 13 ILE QG 1 31 PHE QE . . 3.940 3.823 2.219 5.016 1.076 6 7 "[ * *+ * 1 *- * 2]" 1
652 1 34 TYR H 1 34 TYR QE . . 4.560 4.469 4.239 4.773 0.213 15 0 "[ . 1 . 2]" 1
653 1 34 TYR QE 1 65 ALA MB . . 4.090 3.240 2.346 3.830 . 0 0 "[ . 1 . 2]" 1
654 1 14 TYR QE 1 16 GLY H . . 4.290 3.879 2.972 4.315 0.025 17 0 "[ . 1 . 2]" 1
655 1 56 PHE QD 1 65 ALA MB . . 4.700 5.744 4.556 6.501 1.801 14 15 "[******* *** -+*** 2]" 1
656 1 56 PHE QE 1 65 ALA MB . . 4.200 4.351 2.787 5.285 1.085 14 10 "[ * **- *** +* * 2]" 1
657 1 34 TYR HB2 1 65 ALA MB . . 4.340 3.705 3.021 4.501 0.161 6 0 "[ . 1 . 2]" 1
658 1 34 TYR HB2 1 56 PHE QE . . 5.130 3.033 2.539 3.650 . 0 0 "[ . 1 . 2]" 1
659 1 34 TYR HB3 1 56 PHE QD . . 5.260 5.097 3.901 6.024 0.764 15 2 "[ . - 1 + 2]" 1
660 1 34 TYR HB3 1 56 PHE QE . . 4.940 3.476 2.233 4.421 . 0 0 "[ . 1 . 2]" 1
661 1 31 PHE QD 1 69 LYS QG . . 5.680 5.838 4.821 6.650 0.970 14 7 "[ * * -* 1* +. * 2]" 1
662 1 14 TYR QE 1 51 PHE QE . . 4.200 3.895 3.242 4.261 0.061 15 0 "[ . 1 . 2]" 1
663 2 5 C H1' 2 5 C H2' . . 3.000 2.930 2.773 3.046 0.046 5 0 "[ . 1 . 2]" 1
664 2 4 U H1' 2 5 C H6 . . 5.500 7.610 2.385 9.958 4.458 15 18 "[ *-***** *****+*****]" 1
665 2 4 U H1' 2 4 U H2' . . 3.000 2.894 2.789 3.016 0.016 1 0 "[ . 1 . 2]" 1
666 2 4 U H3' 2 4 U H5'' . . 3.300 2.855 2.305 3.816 0.516 9 1 "[ . +1 . 2]" 1
667 2 6 A H1' 2 6 A H3' . . 3.500 3.786 3.699 3.900 0.400 14 0 "[ . 1 . 2]" 1
668 2 4 U H1' 2 4 U H3' . . 3.500 3.831 3.577 4.055 0.555 3 1 "[ + . 1 . 2]" 1
669 2 4 U H1' 2 4 U H4' . . 3.800 2.947 2.386 3.728 . 0 0 "[ . 1 . 2]" 1
670 2 5 C H1' 2 6 A H8 . . 5.000 4.521 3.450 5.632 0.632 4 2 "[ +. 1 .- 2]" 1
671 2 5 C H1' 2 5 C H3' . . 3.500 3.809 3.674 3.976 0.476 12 0 "[ . 1 . 2]" 1
672 2 5 C H1' 2 6 A H2 . . 5.100 9.307 6.811 11.511 6.411 3 20 [**+********-********] 1
673 2 6 A H1' 2 6 A H2' . . 3.000 2.965 2.743 3.053 0.053 2 0 "[ . 1 . 2]" 1
674 2 5 C Q5' 2 5 C H6 . . 4.400 3.407 2.176 5.669 1.269 10 1 "[ . + . 2]" 1
675 2 6 A Q5' 2 6 A H8 . . 3.100 4.068 2.226 5.134 2.034 18 18 "[ **********-*** *+**]" 1
676 2 5 C H1' 2 5 C H4' . . 4.000 3.103 2.654 3.506 . 0 0 "[ . 1 . 2]" 1
677 2 4 U C4' 2 4 U O4' . . 1.500 1.425 1.412 1.438 . 0 0 "[ . 1 . 2]" 1
678 2 4 U H4' 2 4 U O4' . . 2.100 2.058 2.036 2.084 . 0 0 "[ . 1 . 2]" 1
679 2 5 C C4' 2 5 C O4' . . 1.500 1.424 1.417 1.431 . 0 0 "[ . 1 . 2]" 1
680 2 5 C H4' 2 5 C O4' . . 2.100 2.057 2.023 2.074 . 0 0 "[ . 1 . 2]" 1
681 2 6 A C4' 2 6 A O4' . . 1.500 1.425 1.417 1.430 . 0 0 "[ . 1 . 2]" 1
682 2 6 A H4' 2 6 A O4' . . 2.100 2.058 2.035 2.075 . 0 0 "[ . 1 . 2]" 1
683 1 80 ARG QD 2 4 U Q5' . . 4.000 14.172 12.717 15.440 11.440 4 20 [***+****-***********] 1
684 1 80 ARG QD 2 4 U H1' . . 4.000 15.166 14.187 17.031 13.031 1 20 [+********-**********] 1
685 1 14 TYR QE 2 5 C H6 . . 3.000 16.198 13.435 17.937 14.937 17 20 [*****-**********+***] 1
686 1 14 TYR QE 2 5 C H5 . . 3.000 16.554 12.577 18.454 15.454 15 20 [*****-********+*****] 1
687 1 14 TYR QD 2 5 C H5 . . 3.000 15.319 11.499 17.808 14.808 15 20 [*****-********+*****] 1
688 1 14 TYR QD 2 5 C H6 . . 3.000 15.089 12.522 16.610 13.610 15 20 [*****-********+*****] 1
689 1 14 TYR QD 2 5 C H1' . . 4.500 17.167 14.861 18.954 14.454 17 20 [-***************+***] 1
690 1 14 TYR QE 2 5 C H1' . . 4.500 18.126 15.661 20.243 15.743 17 20 [*******-********+***] 1
691 1 14 TYR QE 2 5 C H2' . . 4.500 17.176 14.348 20.081 15.581 16 20 [************-**+****] 1
692 1 14 TYR QE 2 5 C H4' . . 4.500 16.718 12.717 18.788 14.288 4 20 [***+***-************] 1
693 1 14 TYR QE 2 5 C Q5' . . 3.500 13.493 10.660 15.043 11.543 17 20 [*******-********+***] 1
694 1 14 TYR QB 2 5 C H6 . . 5.000 14.786 12.064 17.075 12.075 15 20 [********-*****+*****] 1
695 1 80 ARG QD 2 5 C H6 . . 5.000 20.261 17.599 22.025 17.025 12 20 [********-**+********] 1
696 1 82 GLU QG 2 5 C H6 . . 4.000 19.265 16.575 21.307 17.307 16 20 [********-******+****] 1
697 1 82 GLU QB 2 5 C H6 . . 5.000 19.508 17.155 21.429 16.429 15 20 [********-*****+*****] 1
698 1 53 PHE QE 2 5 C H1' . . 5.000 13.733 11.344 15.370 10.370 17 20 [-***************+***] 1
699 1 53 PHE QE 2 5 C H2' . . 5.000 12.810 9.907 15.860 10.860 16 20 [************-**+****] 1
700 1 53 PHE QE 2 5 C H4' . . 5.000 12.460 8.525 13.694 8.694 16 20 [*******-*******+****] 1
701 1 53 PHE QE 2 5 C Q5' . . 5.000 9.699 6.607 11.158 6.158 16 20 [*******-*******+****] 1
702 1 51 PHE QE 2 5 C H2' . . 5.000 16.517 10.988 20.094 15.094 16 20 [*******-*******+****] 1
703 1 51 PHE QE 2 5 C H4' . . 5.000 15.574 9.221 18.199 13.199 20 20 [*******-***********+] 1
704 1 53 PHE QE 2 6 A H8 . . 3.000 14.070 11.431 16.695 13.695 4 20 [***+*-**************] 1
705 1 12 ARG QD 2 6 A H2 . . 4.000 17.450 13.835 20.410 16.410 12 20 [********-**+********] 1
706 1 53 PHE QD 2 6 A H8 . . 3.000 13.570 10.826 15.877 12.877 4 20 [***+****-***********] 1
707 1 53 PHE QD 2 6 A H1' . . 3.000 15.135 11.894 18.299 15.299 17 20 [**********-*****+***] 1
708 1 53 PHE QE 2 6 A H1' . . 3.000 15.270 11.607 19.319 16.319 12 20 [*****-*****+********] 1
709 1 53 PHE QB 2 6 A H1' . . 4.000 14.714 11.849 17.331 13.331 17 20 [**********-*****+***] 1
710 1 43 LYS QE 2 6 A H1' . . 4.000 12.516 8.249 16.123 12.123 12 20 [***********+*-******] 1
711 1 43 LYS QD 2 6 A H1' . . 4.000 13.466 9.044 16.396 12.396 12 20 [**********-+********] 1
712 1 12 ARG QD 2 6 A H8 . . 4.000 13.154 8.639 15.344 11.344 15 20 [********-*****+*****] 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 959
_Distance_constraint_stats_list.Viol_total 13088.413
_Distance_constraint_stats_list.Viol_max 3.112
_Distance_constraint_stats_list.Viol_rms 0.6064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6817
_Distance_constraint_stats_list.Viol_average_violations_only 0.6824
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 SER 18.560 1.884 17 12 "[ *.* ***** *.-+**2]"
1 13 ILE 38.978 1.327 17 20 [************-***+***]
1 14 TYR 72.403 2.006 20 20 [*********-*********+]
1 15 VAL 39.854 1.174 19 20 [**-***************+*]
1 16 GLY 27.610 0.997 12 14 "[ *-*****1*+ *. ****]"
1 24 SER 22.792 2.045 14 19 "[******* *****+*-****]"
1 25 ARG 31.542 1.627 14 20 [*************+****-*]
1 26 ASP 22.449 1.463 8 17 "[*** .* +*******-****]"
1 27 VAL 14.343 0.928 7 15 "[***** + ***- **** *]"
1 28 GLU 50.580 2.679 7 20 [******+********-****]
1 29 ASN 130.934 3.112 1 20 [+*****************-*]
1 30 GLU 22.449 1.463 8 17 "[*** .* +*******-****]"
1 31 PHE 14.343 0.928 7 15 "[***** + ***- **** *]"
1 32 ARG 27.788 2.679 7 18 "[******+*******-** *2]"
1 33 LYS 99.392 3.112 1 20 [+************-******]
1 38 LEU 14.233 1.440 1 8 "[+ * . - 1 * .****2]"
1 39 LYS 10.659 0.603 19 4 "[ . * 1 * . +-]"
1 41 ASP 19.674 0.815 2 20 [*+*****************-]
1 52 ALA 39.854 1.174 19 20 [**-***************+*]
1 53 PHE 19.674 0.815 2 20 [*+*****************-]
1 54 ILE 38.978 1.327 17 20 [************-***+***]
1 55 GLU 24.892 1.440 1 10 "[+ * . * 1 ** .****-]"
1 56 PHE 18.560 1.884 17 12 "[ *.* ***** *.-+**2]"
1 62 ALA 27.468 1.421 8 16 "[* **.-*+*1 *********]"
1 63 ALA 17.628 1.176 9 18 "[** **** +**-********]"
1 64 ASP 58.484 2.414 10 20 [*******-*+**********]
1 65 ALA 51.978 2.567 8 19 "[-******+********** *]"
1 66 ILE 27.468 1.421 8 16 "[* **.-*+*1 *********]"
1 67 LYS 17.628 1.176 9 18 "[** **** +**-********]"
1 68 GLU 58.484 2.414 10 20 [*******-*+**********]
1 69 LYS 51.978 2.567 8 19 "[-******+********** *]"
1 73 ASP 38.587 1.617 20 19 "[******* **********-+]"
1 79 LEU 38.587 1.617 20 19 "[******* **********-+]"
1 80 ARG 27.610 0.997 12 14 "[ *-*****1*+ *. ****]"
1 82 GLU 72.403 2.006 20 20 [*********-*********+]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 41 ASP H 1 53 PHE O . . 1.800 2.106 1.932 2.246 0.446 8 0 "[ . 1 . 2]" 2
2 1 41 ASP N 1 53 PHE O . . 2.400 3.077 2.929 3.215 0.815 2 20 [*+*****************-] 2
3 1 39 LYS O 1 55 GLU H . . 1.800 1.869 1.797 2.013 0.213 19 0 "[ . 1 . 2]" 2
4 1 39 LYS O 1 55 GLU N . . 2.400 2.864 2.789 3.003 0.603 19 4 "[ . * 1 * . +-]" 2
5 1 38 LEU H 1 55 GLU O . . 1.800 1.959 1.803 3.008 1.208 1 1 "[+ . 1 . 2]" 2
6 1 38 LEU N 1 55 GLU O . . 2.400 2.953 2.815 3.840 1.440 1 8 "[+ * . - 1 * .****2]" 2
7 1 15 VAL H 1 52 ALA O . . 1.800 2.171 1.957 2.421 0.621 16 4 "[ ** 1 .+ -]" 2
8 1 15 VAL N 1 52 ALA O . . 2.400 3.090 2.903 3.318 0.918 20 20 [**-****************+] 2
9 1 15 VAL O 1 52 ALA H . . 1.800 2.092 1.838 2.674 0.874 19 4 "[ -* 1 * . +2]" 2
10 1 15 VAL O 1 52 ALA N . . 2.400 3.039 2.831 3.574 1.174 19 12 "[ * *** *1** *-* *+2]" 2
11 1 13 ILE O 1 54 ILE H . . 1.800 2.290 1.895 2.819 1.019 17 9 "[ *. *-*1 * .*+* *]" 2
12 1 13 ILE O 1 54 ILE N . . 2.400 3.261 2.904 3.727 1.327 17 20 [**-*************+***] 2
13 1 13 ILE H 1 54 ILE O . . 1.800 1.914 1.812 2.515 0.715 19 1 "[ . 1 . +2]" 2
14 1 13 ILE N 1 54 ILE O . . 2.400 2.884 2.784 3.408 1.008 19 4 "[ . * 1 - . * +2]" 2
15 1 14 TYR O 1 82 GLU H . . 1.800 2.446 1.993 3.147 1.347 5 11 "[ + *-*** *** **]" 2
16 1 14 TYR O 1 82 GLU N . . 2.400 3.446 3.008 4.144 1.744 5 20 [**-*+***************] 2
17 1 14 TYR H 1 82 GLU O . . 1.800 2.658 1.937 3.443 1.643 20 17 "[** -*** ***** *****+]" 2
18 1 14 TYR N 1 82 GLU O . . 2.400 3.471 2.876 4.406 2.006 20 19 "[******* *****-*****+]" 2
19 1 16 GLY H 1 80 ARG O . . 1.800 1.850 1.801 1.929 0.129 9 0 "[ . 1 . 2]" 2
20 1 16 GLY N 1 80 ARG O . . 2.400 2.838 2.787 2.923 0.523 9 1 "[ . +1 . 2]" 2
21 1 16 GLY O 1 80 ARG H . . 1.800 2.093 1.847 2.797 0.997 12 2 "[ - . 1 + . 2]" 2
22 1 16 GLY O 1 80 ARG N . . 2.400 2.999 2.826 3.327 0.927 12 14 "[ *-*****1*+ *. ****]" 2
23 1 24 SER O 1 28 GLU H . . 1.800 2.193 1.901 3.642 1.842 14 4 "[ ** - +. 2]" 2
24 1 24 SER O 1 28 GLU N . . 2.400 3.146 2.878 4.445 2.045 14 19 "[******* *****+*-****]" 2
25 1 25 ARG O 1 29 ASN H . . 1.800 2.418 1.942 3.275 1.475 7 10 "[* *** + 1* **.- * 2]" 2
26 1 25 ARG O 1 29 ASN N . . 2.400 3.359 2.913 4.027 1.627 14 20 [*************+****-*] 2
27 1 26 ASP O 1 30 GLU H . . 1.800 2.205 1.834 3.033 1.233 8 5 "[* - . + 1 . * *]" 2
28 1 26 ASP O 1 30 GLU N . . 2.400 3.117 2.846 3.863 1.463 8 17 "[*** .* +*******-****]" 2
29 1 27 VAL O 1 31 PHE H . . 1.800 1.962 1.836 2.334 0.534 7 1 "[ . + 1 . 2]" 2
30 1 27 VAL O 1 31 PHE N . . 2.400 2.955 2.834 3.328 0.928 7 15 "[***** + ***- **** *]" 2
31 1 28 GLU O 1 32 ARG H . . 1.800 2.348 1.900 4.374 2.574 7 5 "[ * . +* 1 .- *2]" 2
32 1 28 GLU O 1 32 ARG N . . 2.400 3.241 2.893 5.079 2.679 7 18 "[******+*******-** *2]" 2
33 1 29 ASN O 1 33 LYS H . . 1.800 4.191 3.535 4.737 2.937 1 20 [+************-******] 2
34 1 29 ASN O 1 33 LYS N . . 2.400 4.978 4.375 5.512 3.112 1 20 [+************-******] 2
35 1 62 ALA O 1 66 ILE H . . 1.800 2.324 1.855 3.126 1.326 8 8 "[ . *+-1 ** .* **2]" 2
36 1 62 ALA O 1 66 ILE N . . 2.400 3.249 2.818 3.821 1.421 8 16 "[* **.-*+*1 *********]" 2
37 1 63 ALA O 1 67 LYS H . . 1.800 2.043 1.870 2.586 0.786 9 3 "[ . +1 - . * 2]" 2
38 1 63 ALA O 1 67 LYS N . . 2.400 3.038 2.868 3.576 1.176 9 18 "[** **** +*****-*****]" 2
39 1 64 ASP O 1 68 GLU H . . 1.800 3.175 2.024 4.012 2.212 10 18 "[*******-*+*** *****2]" 2
40 1 64 ASP O 1 68 GLU N . . 2.400 3.949 2.970 4.814 2.414 10 20 [*********+*********-] 2
41 1 65 ALA O 1 69 LYS H . . 1.800 3.021 1.904 4.367 2.567 8 12 "[ ***** +*** *. *- 2]" 2
42 1 65 ALA O 1 69 LYS N . . 2.400 3.777 2.824 4.764 2.364 8 19 "[-******+********** *]" 2
43 1 11 SER O 1 56 PHE H . . 1.800 2.073 1.806 3.334 1.534 17 3 "[ *. 1 . + -2]" 2
44 1 11 SER O 1 56 PHE N . . 2.400 3.055 2.778 4.284 1.884 17 12 "[ *.* ***** *.-+**2]" 2
45 1 73 ASP H 1 79 LEU O . . 1.800 1.877 1.809 2.022 0.222 3 0 "[ . 1 . 2]" 2
46 1 73 ASP N 1 79 LEU O . . 2.400 2.868 2.818 2.984 0.584 3 4 "[ + . *1 * . -2]" 2
47 1 73 ASP O 1 79 LEU H . . 1.800 2.306 1.921 3.110 1.310 20 9 "[* * -1 ** . ***+]" 2
48 1 73 ASP O 1 79 LEU N . . 2.400 3.278 2.884 4.017 1.617 20 19 "[**-**** ***********+]" 2
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