NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561561 |
2luu   |
18541 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2luu
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 739
_Distance_constraint_stats_list.Viol_count 7381
_Distance_constraint_stats_list.Viol_total 105000.273
_Distance_constraint_stats_list.Viol_max 3.792
_Distance_constraint_stats_list.Viol_rms 0.9495
_Distance_constraint_stats_list.Viol_average_all_restraints 1.4208
_Distance_constraint_stats_list.Viol_average_violations_only 1.4226
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 LYS 6.630 1.771 4 6 "[ *-+*** 1]"
1 7 GLU 6.630 1.771 4 6 "[ *-+*** 1]"
1 8 LYS 6.704 0.973 5 9 "[***-+** **]"
1 9 GLY 6.704 0.973 5 9 "[***-+** **]"
1 11 GLU 10.137 1.700 6 10 [*-***+****]
1 12 PRO 44.801 2.956 2 10 [*+***-****]
1 13 LYS 104.321 2.956 2 10 [*+***-****]
1 14 ALA 62.922 2.694 9 10 [*****-**+*]
1 15 ASP 46.715 3.226 2 10 [*+*******-]
1 16 ALA 62.912 3.226 2 10 [*+*******-]
1 17 GLU 86.419 2.627 4 10 [***+****-*]
1 18 CYS 170.070 2.962 5 10 [-***+*****]
1 19 SER 82.407 3.726 3 10 [**+**-****]
1 20 GLU 177.187 3.441 9 10 [*-******+*]
1 21 TRP 533.363 3.726 3 10 [-*+*******]
1 22 GLN 247.947 3.502 3 10 [**+******-]
1 23 TYR 402.403 3.490 10 10 [******-**+]
1 24 GLY 134.745 3.753 7 10 [***-**+***]
1 25 LYS 149.714 2.828 5 10 [***-+*****]
1 26 CYS 119.506 3.227 3 10 [**+-******]
1 27 VAL 313.649 3.736 3 10 [**+*******]
1 28 PRO 346.548 3.704 6 10 [****-+****]
1 29 ASN 120.196 3.704 3 10 [**+-******]
1 30 SER 103.350 3.704 6 10 [***-*+****]
1 31 GLY 46.310 2.530 10 10 [**-******+]
1 32 ASP 83.220 3.391 10 10 [-********+]
1 33 CYS 285.584 3.737 6 10 [-****+****]
1 34 GLY 78.658 2.819 8 10 [*******+*-]
1 35 ASN 87.150 3.541 10 10 [******-**+]
1 36 GLY 219.255 3.741 7 10 [******+***]
1 37 ILE 600.844 3.736 3 10 [**+**-****]
1 38 ARG 539.926 3.561 7 10 [**-***+***]
1 39 GLU 355.493 3.494 10 10 [******-**+]
1 40 ALA 373.854 3.275 5 10 [**-*+*****]
1 41 THR 500.478 3.753 7 10 [******+**-]
1 42 CYS 224.796 3.502 3 10 [**+*****-*]
1 43 ASN 73.427 3.204 8 10 [*****-*+**]
1 44 GLU 174.358 3.339 9 10 [*******-+*]
1 45 GLN 353.896 3.713 9 10 [*******-+*]
1 46 THR 236.227 3.486 9 10 [-*******+*]
1 47 LYS 276.831 3.500 3 10 [**+*****-*]
1 48 LYS 210.129 3.393 6 10 [*****+**-*]
1 49 THR 346.232 3.500 3 10 [**+****-**]
1 50 LYS 264.566 3.741 7 10 [*****-+***]
1 51 CYS 129.487 3.438 1 10 [+*-*******]
1 52 LYS 158.071 3.332 3 10 [*-+*******]
1 53 VAL 428.510 3.737 6 10 [**-**+****]
1 54 PRO 48.409 2.186 10 10 [*-*******+]
1 55 CYS 51.169 2.697 8 10 [*-*****+**]
1 56 ASN 25.904 2.231 7 10 [******+***]
1 57 TRP 140.036 3.541 10 10 [*********+]
1 58 LYS 82.089 3.371 2 10 [*+*****-**]
1 59 LYS 102.079 3.368 7 10 [***-**+***]
1 60 ASP 93.681 3.233 6 10 [***-*+****]
1 61 PHE 103.579 3.082 9 10 [********+*]
1 62 GLY 115.172 3.539 3 10 [**+******-]
1 63 ALA 83.844 2.583 7 10 [*****-+***]
1 64 ASP 141.132 3.126 1 10 [+********-]
1 65 CYS 86.402 2.849 9 10 [***-****+*]
1 66 LYS 151.305 3.488 3 10 [**+******-]
1 67 TYR 398.371 3.735 10 10 [**-******+]
1 68 LYS 171.228 2.939 5 10 [**-*+*****]
1 69 PHE 229.378 2.939 5 10 [-***+*****]
1 70 GLY 41.365 2.845 10 10 [**-******+]
1 71 ARG 184.603 3.342 9 10 [**-*****+*]
1 72 TRP 414.057 3.618 1 10 [+*******-*]
1 73 ALA 283.748 3.792 10 10 [********-+]
1 74 GLU 146.589 2.768 8 10 [****-**+**]
1 75 CYS 73.868 2.768 8 10 [*****-*+**]
1 76 ASP 115.288 3.374 7 10 [******+***]
1 77 THR 136.310 3.150 7 10 [*****-+***]
1 78 THR 153.414 3.723 1 10 [+*-*******]
1 79 THR 215.190 3.723 1 10 [+*******-*]
1 80 GLY 200.100 3.464 1 10 [+*********]
1 81 THR 330.705 3.419 4 10 [***+******]
1 82 ARG 282.644 3.374 7 10 [***-**+***]
1 83 SER 222.839 2.873 6 10 [*****+-***]
1 84 ARG 195.308 3.792 10 10 [**-******+]
1 85 SER 106.010 2.858 10 10 [********-+]
1 86 GLY 182.018 3.212 4 10 [***+*****-]
1 87 THR 234.741 3.735 9 10 [-*******+*]
1 88 LEU 439.622 3.700 9 10 [********+-]
1 89 LYS 105.428 2.454 2 10 [-+********]
1 90 LYS 285.626 3.478 1 10 [+**-******]
1 91 ALA 208.652 3.488 3 10 [**+******-]
1 92 LEU 227.512 3.126 1 10 [+********-]
1 93 PHE 127.651 3.539 3 10 [**+******-]
1 94 ASN 63.723 2.827 4 10 [***+*****-]
1 95 ALA 68.546 2.827 4 10 [***+-*****]
1 96 GLU 90.642 2.842 6 10 [*****+*-**]
1 97 CYS 104.946 3.374 3 10 [*-+*******]
1 98 GLN 176.753 3.374 3 10 [**+-******]
1 99 THR 192.738 3.136 9 10 [*******-+*]
1 100 THR 247.943 3.735 9 10 [*-******+*]
1 101 ILE 622.024 3.735 10 10 [***-*****+]
1 102 LYS 298.473 3.271 6 10 [*****+*-**]
1 103 VAL 396.266 3.367 9 10 [**-*****+*]
1 104 SER 186.193 3.367 9 10 [***-****+*]
1 105 LYS 238.964 3.176 8 10 [***-***+**]
1 106 PRO 60.209 2.616 2 10 [*+**-*****]
1 107 CYS 44.106 2.668 5 10 [****+*****]
1 108 THR 60.845 3.464 1 10 [+*********]
1 109 PRO 59.617 3.150 7 10 [-*****+***]
1 112 PRO 19.878 1.739 5 10 [****+*-***]
1 113 LYS 31.399 1.865 5 10 [****+-****]
1 116 GLY 4.704 0.952 1 1 "[+ . 1]"
1 117 GLY 10.096 0.952 1 4 "[+* *- 1]"
1 118 GLU 5.392 0.919 5 3 "[ * +- 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 LYS HA 1 7 GLU H . . 1.800 2.463 2.142 3.571 1.771 4 6 "[ *-+*** 1]" 1
2 1 8 LYS HA 1 9 GLY H . . 1.800 2.470 2.205 2.773 0.973 5 9 "[***-+** **]" 1
3 1 11 GLU QG 1 11 GLU N . . 1.800 2.814 2.494 3.500 1.700 6 10 [*-***+****] 1
4 1 12 PRO HA 1 13 LYS H . . 1.800 2.296 2.150 2.636 0.836 7 5 "[ ***-+ 1]" 1
5 1 12 PRO QB 1 13 LYS H . . 1.800 3.117 2.063 3.849 2.049 6 9 "[****-+ ***]" 1
6 1 12 PRO QG 1 13 LYS H . . 1.800 4.467 3.759 4.756 2.956 2 10 [*+****-***] 1
7 1 13 LYS HA 1 14 ALA H . . 1.800 2.278 2.145 2.615 0.815 5 2 "[ +- 1]" 1
8 1 13 LYS HA 1 14 ALA MB . . 1.800 4.033 3.947 4.219 2.419 5 10 [-***+*****] 1
9 1 13 LYS QB 1 14 ALA H . . 1.800 3.237 1.995 3.835 2.035 4 9 [***+.-****] 1
10 1 13 LYS QG 1 14 ALA H . . 1.800 3.604 1.981 4.494 2.694 9 9 "[-**** **+*]" 1
11 1 14 ALA H 1 14 ALA MB . . 1.800 2.140 2.035 2.248 0.448 7 0 "[ . 1]" 1
12 1 15 ASP H 1 16 ALA MB . . 1.800 4.637 3.896 5.026 3.226 2 10 [*+*****-**] 1
13 1 15 ASP HA 1 16 ALA H . . 1.800 2.391 2.142 2.563 0.763 10 6 "[*** .- *+]" 1
14 1 15 ASP QB 1 16 ALA H . . 1.800 3.044 2.417 3.998 2.198 5 10 [****+****-] 1
15 1 16 ALA H 1 16 ALA MB . . 1.800 2.672 2.194 2.903 1.103 7 8 "[*-* .*+***]" 1
16 1 16 ALA HA 1 17 GLU H . . 1.800 2.548 2.229 2.801 1.001 6 8 "[* ***+** -]" 1
17 1 17 GLU H 1 17 GLU QG . . 1.800 2.779 2.477 3.065 1.265 3 10 [*-+*******] 1
18 1 17 GLU HA 1 17 GLU QG . . 1.800 2.432 2.196 2.559 0.759 4 9 [-**+.*****] 1
19 1 17 GLU HA 1 18 CYS H . . 1.800 2.304 2.166 2.507 0.707 3 4 "[ *+ . * -1]" 1
20 1 17 GLU HA 1 18 CYS QB . . 1.800 4.089 3.891 4.294 2.494 4 10 [*-*+******] 1
21 1 17 GLU QB 1 17 GLU QG . . 1.800 2.033 2.032 2.033 0.233 4 0 "[ . 1]" 1
22 1 17 GLU QB 1 18 CYS H . . 1.800 2.670 2.171 3.077 1.277 6 9 "[*- **+****]" 1
23 1 17 GLU QG 1 18 CYS H . . 1.800 4.187 3.907 4.427 2.627 4 10 [***+-*****] 1
24 1 18 CYS HA 1 20 GLU H . . 1.800 3.863 3.278 4.577 2.777 6 10 [-****+****] 1
25 1 18 CYS QB 1 20 GLU H . . 1.800 4.098 3.722 4.629 2.829 3 10 [**+****-**] 1
26 1 18 CYS QB 1 21 TRP HD1 . . 1.800 2.478 2.011 3.091 1.291 10 7 "[ ***- ** +]" 1
27 1 18 CYS QB 1 21 TRP HE1 . . 1.800 2.302 1.929 2.643 0.843 5 6 "[-* + ***]" 1
28 1 18 CYS QB 1 21 TRP HZ2 . . 1.800 4.115 3.500 4.762 2.962 5 10 [***-+*****] 1
29 1 18 CYS QB 1 43 ASN QD . . 1.800 2.308 1.906 3.312 1.512 10 4 "[ * *- +]" 1
30 1 18 CYS QB 1 45 GLN QE . . 1.800 4.394 4.181 4.751 2.951 8 10 [*******+*-] 1
31 1 19 SER HA 1 20 GLU H . . 1.800 3.519 3.429 3.568 1.768 9 10 [-*******+*] 1
32 1 19 SER HA 1 21 TRP HD1 . . 1.800 3.908 3.555 4.203 2.403 7 10 [******+**-] 1
33 1 19 SER HA 1 21 TRP HE1 . . 1.800 5.378 4.996 5.526 3.726 3 10 [**+******-] 1
34 1 19 SER QB 1 20 GLU H . . 1.800 2.636 1.918 3.287 1.487 7 7 "[****.-+ *]" 1
35 1 20 GLU H 1 20 GLU QG . . 1.800 3.320 2.037 4.146 2.346 3 9 "[ -+*******]" 1
36 1 20 GLU HA 1 20 GLU QG . . 1.800 2.619 2.046 3.446 1.646 2 8 "[*+ **-** *]" 1
37 1 20 GLU HA 1 21 TRP H . . 1.800 2.532 2.298 3.570 1.770 9 9 [******-*+1] 1
38 1 20 GLU HA 1 21 TRP HD1 . . 1.800 4.847 4.611 5.241 3.441 9 10 [******-*+*] 1
39 1 20 GLU QB 1 20 GLU QG . . 1.800 2.023 2.002 2.035 0.235 1 0 "[ . 1]" 1
40 1 20 GLU QB 1 21 TRP H . . 1.800 3.786 2.337 4.036 2.236 5 10 [****+***-*] 1
41 1 20 GLU QG 1 21 TRP H . . 1.800 4.275 3.736 4.723 2.923 4 10 [***+**-***] 1
42 1 21 TRP H 1 21 TRP HD1 . . 1.800 2.856 2.580 3.272 1.472 9 10 [*****-**+*] 1
43 1 21 TRP HA 1 22 GLN H . . 1.800 2.156 2.140 2.217 0.417 3 0 "[ . 1]" 1
44 1 21 TRP HA 1 22 GLN QG . . 1.800 3.785 3.599 3.936 2.136 3 10 [**+-******] 1
45 1 21 TRP HA 1 40 ALA MB . . 1.800 4.389 4.298 4.535 2.735 1 10 [+*****-***] 1
46 1 21 TRP HA 1 42 CYS QB . . 1.800 2.841 2.386 3.259 1.459 4 10 [***+****-*] 1
47 1 21 TRP QB 1 22 GLN H . . 1.800 3.440 3.022 3.661 1.861 10 10 [**-******+] 1
48 1 21 TRP QB 1 23 TYR QE . . 1.800 2.149 1.970 2.351 0.551 10 2 "[ . - +]" 1
49 1 21 TRP QB 1 40 ALA MB . . 1.800 2.985 2.871 3.068 1.268 3 10 [**+*-*****] 1
50 1 21 TRP HD1 1 23 TYR QE . . 1.800 5.069 4.713 5.290 3.490 10 10 [**-******+] 1
51 1 21 TRP HE3 1 23 TYR QD . . 1.800 3.502 3.459 3.555 1.755 10 10 [-********+] 1
52 1 21 TRP HE3 1 23 TYR QE . . 1.800 3.270 2.869 3.602 1.802 3 10 [**+**-****] 1
53 1 21 TRP HE3 1 40 ALA MB . . 1.800 1.890 1.855 1.950 0.150 1 0 "[ . 1]" 1
54 1 21 TRP HE3 1 41 THR H . . 1.800 4.171 3.625 4.586 2.786 1 10 [+*-*******] 1
55 1 21 TRP HE3 1 42 CYS H . . 1.800 4.553 4.233 4.729 2.929 6 10 [*-***+****] 1
56 1 21 TRP HH2 1 40 ALA MB . . 1.800 4.782 4.372 5.075 3.275 5 10 [**-*+*****] 1
57 1 21 TRP HH2 1 42 CYS H . . 1.800 3.520 2.900 3.894 2.094 5 10 [**-*+*****] 1
58 1 21 TRP HH2 1 45 GLN QB . . 1.800 3.717 3.144 3.965 2.165 4 10 [***+****-*] 1
59 1 21 TRP HZ2 1 43 ASN QB . . 1.800 3.410 3.365 3.552 1.752 9 10 [*******-+*] 1
60 1 21 TRP HZ2 1 45 GLN QE . . 1.800 2.137 1.912 2.506 0.706 10 2 "[ .- +]" 1
61 1 21 TRP HZ2 1 45 GLN QG . . 1.800 3.038 2.027 3.826 2.026 4 9 "[***+-*** *]" 1
62 1 21 TRP HZ3 1 40 ALA MB . . 1.800 2.678 2.392 2.994 1.194 5 10 [**-*+*****] 1
63 1 21 TRP HZ3 1 41 THR HA . . 1.800 3.436 2.793 3.879 2.079 5 10 [**-*+*****] 1
64 1 21 TRP HZ3 1 42 CYS H . . 1.800 3.540 2.710 4.096 2.296 1 10 [+*-*******] 1
65 1 22 GLN H 1 22 GLN QG . . 1.800 2.086 1.938 2.221 0.421 4 0 "[ . 1]" 1
66 1 22 GLN H 1 41 THR H . . 1.800 4.274 3.997 4.518 2.718 9 10 [**-*****+*] 1
67 1 22 GLN H 1 42 CYS HA . . 1.800 4.955 4.693 5.302 3.502 3 10 [*-+*******] 1
68 1 22 GLN HA 1 22 GLN QG . . 1.800 3.188 2.825 3.370 1.570 3 10 [**+**-****] 1
69 1 22 GLN HA 1 23 TYR H . . 1.800 2.196 2.172 2.219 0.419 5 0 "[ . 1]" 1
70 1 22 GLN HA 1 23 TYR QD . . 1.800 4.596 4.167 4.793 2.993 10 10 [******-**+] 1
71 1 22 GLN QB 1 22 GLN QE . . 1.800 3.369 3.068 3.743 1.943 4 10 [***+-*****] 1
72 1 22 GLN QB 1 22 GLN QG . . 1.800 2.016 1.983 2.034 0.234 1 0 "[ . 1]" 1
73 1 22 GLN QB 1 23 TYR H . . 1.800 3.641 3.580 3.694 1.894 5 10 [****+*-***] 1
74 1 22 GLN QB 1 41 THR H . . 1.800 3.815 3.197 4.434 2.634 7 10 [*****-+***] 1
75 1 22 GLN QG 1 23 TYR H . . 1.800 4.630 4.381 4.933 3.133 9 10 [******-*+*] 1
76 1 22 GLN QG 1 41 THR H . . 1.800 3.645 2.349 4.987 3.187 2 10 [*+*******-] 1
77 1 23 TYR H 1 23 TYR QD . . 1.800 3.071 2.587 3.248 1.448 9 10 [******-*+*] 1
78 1 23 TYR HA 1 23 TYR QD . . 1.800 2.333 2.095 2.905 1.105 7 5 "[- ** +* 1]" 1
79 1 23 TYR HA 1 24 GLY H . . 1.800 2.227 2.160 2.331 0.531 4 1 "[ +. 1]" 1
80 1 23 TYR HA 1 40 ALA MB . . 1.800 2.007 1.905 2.252 0.452 10 0 "[ . 1]" 1
81 1 23 TYR HA 1 41 THR H . . 1.800 4.574 4.286 4.824 3.024 6 10 [*****+-***] 1
82 1 23 TYR QB 1 24 GLY H . . 1.800 2.909 2.617 3.137 1.337 10 10 [***-*****+] 1
83 1 23 TYR QD 1 24 GLY H . . 1.800 4.091 3.879 4.417 2.617 7 10 [******+**-] 1
84 1 23 TYR QD 1 38 ARG QB . . 1.800 4.805 3.872 5.011 3.211 9 10 [******-*+*] 1
85 1 23 TYR QD 1 38 ARG QD . . 1.800 3.218 2.812 3.519 1.719 5 10 [****+****-] 1
86 1 23 TYR QD 1 38 ARG QG . . 1.800 3.934 3.741 4.425 2.625 10 10 [**-******+] 1
87 1 23 TYR QD 1 40 ALA HA . . 1.800 4.218 3.962 4.387 2.587 7 10 [**-***+***] 1
88 1 23 TYR QD 1 40 ALA MB . . 1.800 1.916 1.884 1.975 0.175 1 0 "[ . 1]" 1
89 1 23 TYR QD 1 49 THR MG . . 1.800 3.576 3.058 4.076 2.276 3 10 [**+***-***] 1
90 1 23 TYR QE 1 38 ARG QD . . 1.800 4.560 4.155 4.880 3.080 5 10 [**-*+*****] 1
91 1 23 TYR QE 1 40 ALA MB . . 1.800 3.266 3.018 3.392 1.592 8 10 [*******+*-] 1
92 1 23 TYR QE 1 49 THR MG . . 1.800 3.683 3.317 4.064 2.264 3 10 [**+***-***] 1
93 1 24 GLY H 1 25 LYS H . . 1.800 4.477 4.309 4.561 2.761 6 10 [*****+-***] 1
94 1 24 GLY H 1 40 ALA HA . . 1.800 3.329 3.091 3.456 1.656 7 10 [******+*-*] 1
95 1 24 GLY H 1 40 ALA MB . . 1.800 3.153 2.825 3.540 1.740 3 10 [**+*****-*] 1
96 1 24 GLY H 1 41 THR H . . 1.800 5.416 5.140 5.553 3.753 7 10 [******+*-*] 1
97 1 24 GLY QA 1 25 LYS H . . 1.800 2.272 2.238 2.282 0.482 9 0 "[ . 1]" 1
98 1 25 LYS H 1 25 LYS QD . . 1.800 1.891 1.883 1.903 0.103 7 0 "[ . 1]" 1
99 1 25 LYS H 1 25 LYS QG . . 1.800 3.294 3.250 3.423 1.623 2 10 [*+****-***] 1
100 1 25 LYS HA 1 26 CYS H . . 1.800 2.337 2.330 2.353 0.553 7 10 [***-**+***] 1
101 1 25 LYS QB 1 25 LYS QG . . 1.800 2.020 2.005 2.022 0.222 7 0 "[ . 1]" 1
102 1 25 LYS QB 1 26 CYS H . . 1.800 2.645 2.596 2.692 0.892 2 10 [*+****-***] 1
103 1 25 LYS QB 1 27 VAL QG . . 1.800 4.620 4.608 4.628 2.828 5 10 [*-**+*****] 1
104 1 25 LYS QD 1 25 LYS QG . . 1.800 2.041 2.036 2.079 0.279 2 0 "[ . 1]" 1
105 1 25 LYS QD 1 27 VAL QG . . 1.800 3.886 3.244 3.969 2.169 4 10 [*-*+******] 1
106 1 25 LYS QE 1 27 VAL QG . . 1.800 2.708 2.650 2.721 0.921 5 10 [*-**+*****] 1
107 1 25 LYS QG 1 27 VAL HB . . 1.800 3.257 3.215 3.277 1.477 4 10 [***+**-***] 1
108 1 25 LYS QG 1 27 VAL QG . . 1.800 2.923 2.906 2.933 1.133 5 10 [****+*-***] 1
109 1 26 CYS HA 1 27 VAL H . . 1.800 2.150 2.147 2.151 0.351 1 0 "[ . 1]" 1
110 1 26 CYS HA 1 27 VAL QG . . 1.800 3.583 3.549 3.602 1.802 7 10 [*-****+***] 1
111 1 26 CYS HA 1 37 ILE H . . 1.800 3.920 3.812 4.042 2.242 4 10 [***+***-**] 1
112 1 26 CYS HA 1 38 ARG QB . . 1.800 2.805 2.538 3.959 2.159 7 10 [******+*-*] 1
113 1 26 CYS HA 1 38 ARG QG . . 1.800 4.490 3.046 5.027 3.227 3 10 [**+***-***] 1
114 1 26 CYS QB 1 27 VAL H . . 1.800 3.534 3.479 3.622 1.822 2 10 [*+-*******] 1
115 1 26 CYS QB 1 53 VAL QG . . 1.800 2.687 2.156 3.135 1.335 5 8 "[** -+****1]" 1
116 1 27 VAL H 1 27 VAL QG . . 1.800 2.037 1.980 2.058 0.258 7 0 "[ . 1]" 1
117 1 27 VAL H 1 37 ILE H . . 1.800 2.813 2.588 3.026 1.226 7 10 [-*****+***] 1
118 1 27 VAL H 1 38 ARG HA . . 1.800 3.916 3.712 4.079 2.279 6 10 [*****+-***] 1
119 1 27 VAL H 1 38 ARG QB . . 1.800 4.393 4.191 5.361 3.561 7 10 [******+*-*] 1
120 1 27 VAL HA 1 27 VAL QG . . 1.800 2.372 2.344 2.399 0.599 2 10 [*+-*******] 1
121 1 27 VAL HA 1 28 PRO QD . . 1.800 1.911 1.902 1.917 0.117 5 0 "[ . 1]" 1
122 1 27 VAL HA 1 28 PRO QG . . 1.800 3.814 3.806 3.819 2.019 5 10 [**-*+*****] 1
123 1 27 VAL HB 1 27 VAL QG . . 1.800 1.885 1.874 1.890 0.090 6 0 "[ . 1]" 1
124 1 27 VAL HB 1 37 ILE H . . 1.800 5.299 5.042 5.536 3.736 3 10 [-*+*******] 1
125 1 27 VAL QG 1 28 PRO QB . . 1.800 4.009 3.979 4.032 2.232 7 10 [******+*-*] 1
126 1 27 VAL QG 1 28 PRO QD . . 1.800 1.931 1.923 1.945 0.145 7 0 "[ . 1]" 1
127 1 27 VAL QG 1 28 PRO QG . . 1.800 3.099 3.051 3.133 1.333 7 10 [******+*-*] 1
128 1 27 VAL QG 1 37 ILE H . . 1.800 2.872 2.552 3.433 1.633 7 10 [-*****+***] 1
129 1 27 VAL QG 1 38 ARG HA . . 1.800 3.953 3.792 4.240 2.440 7 10 [***-**+***] 1
130 1 28 PRO HA 1 29 ASN H . . 1.800 2.453 2.155 3.516 1.716 3 2 "[ + . -]" 1
131 1 28 PRO HA 1 30 SER H . . 1.800 4.079 3.505 5.504 3.704 6 10 [*-***+****] 1
132 1 28 PRO HA 1 36 GLY QA . . 1.800 1.921 1.901 1.965 0.165 9 0 "[ . 1]" 1
133 1 28 PRO HA 1 37 ILE H . . 1.800 3.757 3.035 3.981 2.181 1 10 [+*****-***] 1
134 1 28 PRO HA 1 53 VAL QG . . 1.800 3.848 3.487 4.347 2.547 7 10 [*-****+***] 1
135 1 28 PRO QB 1 29 ASN H . . 1.800 3.429 2.795 3.649 1.849 1 10 [+******-**] 1
136 1 28 PRO QB 1 30 SER H . . 1.800 3.841 2.538 4.784 2.984 6 10 [**-**+****] 1
137 1 28 PRO QB 1 32 ASP HA . . 1.800 4.355 3.832 5.191 3.391 10 10 [******-**+] 1
138 1 28 PRO QB 1 33 CYS H . . 1.800 3.988 3.591 4.388 2.588 10 10 [*-*******+] 1
139 1 28 PRO QB 1 33 CYS HA . . 1.800 2.398 1.988 2.922 1.122 3 5 "[ + - ** *]" 1
140 1 28 PRO QB 1 36 GLY QA . . 1.800 3.337 2.774 3.525 1.725 1 10 [+*****-***] 1
141 1 28 PRO QB 1 53 VAL QG . . 1.800 2.817 2.507 3.239 1.439 7 10 [*-****+***] 1
142 1 28 PRO QD 1 28 PRO QG . . 1.800 1.970 1.969 1.971 0.171 7 0 "[ . 1]" 1
143 1 28 PRO QD 1 53 VAL QG . . 1.800 2.511 2.197 2.713 0.913 2 9 [*+**-****1] 1
144 1 28 PRO QG 1 29 ASN H . . 1.800 4.240 2.414 4.758 2.958 1 10 [+*-*******] 1
145 1 28 PRO QG 1 32 ASP HA . . 1.800 4.096 3.649 4.557 2.757 10 10 [*-*******+] 1
146 1 28 PRO QG 1 33 CYS H . . 1.800 4.558 4.343 4.753 2.953 1 10 [+*-*******] 1
147 1 28 PRO QG 1 33 CYS HA . . 1.800 2.495 2.010 2.719 0.919 1 9 [+******-*1] 1
148 1 28 PRO QG 1 53 VAL QG . . 1.800 2.999 2.738 3.143 1.343 7 10 [****-*+***] 1
149 1 29 ASN H 1 30 SER H . . 1.800 2.754 2.180 4.345 2.545 6 6 "[* *-*+ *]" 1
150 1 29 ASN H 1 36 GLY QA . . 1.800 2.899 1.966 4.688 2.888 3 5 "[ + .-** *]" 1
151 1 29 ASN H 1 37 ILE H . . 1.800 4.309 3.682 5.504 3.704 3 10 [**+**-****] 1
152 1 29 ASN HA 1 30 SER H . . 1.800 3.272 2.166 3.567 1.767 8 9 "[**-** *+**]" 1
153 1 29 ASN QB 1 30 SER H . . 1.800 3.064 2.012 3.949 2.149 6 9 [*****+*-*1] 1
154 1 30 SER HA 1 31 GLY H . . 1.800 2.317 2.144 2.701 0.901 6 4 "[ - .+ **1]" 1
155 1 30 SER QB 1 31 GLY H . . 1.800 3.608 2.457 4.053 2.253 9 10 [*****-**+*] 1
156 1 31 GLY QA 1 32 ASP H . . 1.800 2.182 2.109 2.242 0.442 9 0 "[ . 1]" 1
157 1 31 GLY QA 1 33 CYS H . . 1.800 3.725 3.338 4.330 2.530 10 10 [-********+] 1
158 1 32 ASP H 1 33 CYS H . . 1.800 2.344 1.982 2.823 1.023 8 6 "[- *.* +**]" 1
159 1 32 ASP HA 1 33 CYS H . . 1.800 3.536 3.493 3.570 1.770 6 10 [-****+****] 1
160 1 32 ASP QB 1 33 CYS H . . 1.800 2.610 2.059 3.008 1.208 3 8 "[**+** -**1]" 1
161 1 33 CYS H 1 53 VAL QG . . 1.800 4.692 4.578 4.733 2.933 1 10 [+*-*******] 1
162 1 33 CYS HA 1 34 GLY H . . 1.800 2.284 2.282 2.287 0.487 10 0 "[ . 1]" 1
163 1 33 CYS HA 1 53 VAL H . . 1.800 5.497 5.450 5.537 3.737 6 10 [*****+-***] 1
164 1 33 CYS HA 1 53 VAL HB . . 1.800 5.287 4.914 5.442 3.642 8 10 [**-****+**] 1
165 1 33 CYS HA 1 53 VAL QG . . 1.800 2.648 2.413 2.773 0.973 8 10 [**-****+**] 1
166 1 33 CYS QB 1 34 GLY H . . 1.800 2.705 2.684 2.731 0.931 5 10 [****+****-] 1
167 1 33 CYS QB 1 53 VAL HB . . 1.800 4.164 4.008 4.306 2.506 7 10 [**-***+***] 1
168 1 33 CYS QB 1 53 VAL QG . . 1.800 2.018 1.935 2.113 0.313 2 0 "[ . 1]" 1
169 1 33 CYS QB 1 55 CYS HA . . 1.800 4.210 3.974 4.497 2.697 8 10 [*-*****+**] 1
170 1 34 GLY H 1 53 VAL H . . 1.800 3.440 3.348 3.580 1.780 3 10 [**+******-] 1
171 1 34 GLY H 1 53 VAL HB . . 1.800 4.548 4.444 4.619 2.819 8 10 [******-+**] 1
172 1 34 GLY H 1 53 VAL QG . . 1.800 1.831 1.806 1.850 0.050 8 0 "[ . 1]" 1
173 1 34 GLY QA 1 35 ASN H . . 1.800 2.119 2.109 2.137 0.337 7 0 "[ . 1]" 1
174 1 34 GLY QA 1 53 VAL H . . 1.800 3.539 3.137 4.126 2.326 3 10 [**+******-] 1
175 1 35 ASN HA 1 36 GLY H . . 1.800 2.226 2.146 2.436 0.636 7 1 "[ . + 1]" 1
176 1 35 ASN HA 1 53 VAL H . . 1.800 4.249 3.882 4.639 2.839 7 10 [**-***+***] 1
177 1 35 ASN QB 1 36 GLY H . . 1.800 3.838 3.482 4.021 2.221 2 10 [*+**-*****] 1
178 1 35 ASN QB 1 57 TRP HZ2 . . 1.800 5.283 5.178 5.341 3.541 10 10 [******-**+] 1
179 1 36 GLY H 1 50 LYS HA . . 1.800 5.096 4.636 5.541 3.741 7 10 [******+**-] 1
180 1 36 GLY H 1 51 CYS H . . 1.800 3.284 2.828 3.770 1.970 3 10 [-*+*******] 1
181 1 36 GLY H 1 52 LYS HA . . 1.800 3.038 2.790 3.262 1.462 1 10 [+******-**] 1
182 1 36 GLY H 1 52 LYS QB . . 1.800 4.960 4.728 5.132 3.332 3 10 [**+****-**] 1
183 1 36 GLY H 1 52 LYS QG . . 1.800 4.383 3.921 4.712 2.912 1 10 [+******-**] 1
184 1 36 GLY H 1 53 VAL H . . 1.800 3.883 3.501 4.214 2.414 5 10 [****+*-***] 1
185 1 36 GLY QA 1 37 ILE H . . 1.800 2.258 2.192 2.283 0.483 4 0 "[ . 1]" 1
186 1 36 GLY QA 1 37 ILE HB . . 1.800 4.201 3.836 4.483 2.683 10 10 [********-+] 1
187 1 37 ILE H 1 37 ILE MD . . 1.800 3.859 2.778 4.693 2.893 3 10 [**+***-***] 1
188 1 37 ILE H 1 37 ILE QG . . 1.800 3.346 2.624 4.258 2.458 9 10 [********+-] 1
189 1 37 ILE H 1 37 ILE MG . . 1.800 3.420 2.335 3.929 2.129 8 10 [**-****+**] 1
190 1 37 ILE HA 1 37 ILE MD . . 1.800 2.263 1.966 3.200 1.400 3 3 "[ -+ . *1]" 1
191 1 37 ILE HA 1 37 ILE MG . . 1.800 2.617 2.278 3.187 1.387 3 9 [**+****-*1] 1
192 1 37 ILE HA 1 38 ARG H . . 1.800 2.248 2.207 2.304 0.504 3 1 "[ + . 1]" 1
193 1 37 ILE HA 1 49 THR H . . 1.800 4.472 3.943 4.669 2.869 9 10 [******-*+*] 1
194 1 37 ILE HA 1 51 CYS H . . 1.800 3.323 2.312 3.829 2.029 6 10 [**-**+****] 1
195 1 37 ILE HB 1 37 ILE MD . . 1.800 2.822 2.061 3.230 1.430 6 7 "[* **+-* *]" 1
196 1 37 ILE HB 1 38 ARG H . . 1.800 3.972 3.751 4.230 2.430 7 10 [******+**-] 1
197 1 37 ILE MD 1 37 ILE QG . . 1.800 1.866 1.854 1.893 0.093 6 0 "[ . 1]" 1
198 1 37 ILE MD 1 37 ILE MG . . 1.800 2.416 1.932 3.249 1.449 7 4 "[ *- . + *1]" 1
199 1 37 ILE MD 1 38 ARG H . . 1.800 3.524 3.296 4.049 2.249 7 10 [*-****+***] 1
200 1 37 ILE MD 1 49 THR H . . 1.800 4.266 3.216 5.035 3.235 7 10 [**-***+***] 1
201 1 37 ILE MD 1 50 LYS HA . . 1.800 2.368 1.980 3.048 1.248 3 5 "[* + .-* *]" 1
202 1 37 ILE MD 1 50 LYS QB . . 1.800 3.605 2.689 4.576 2.776 7 10 [-*****+***] 1
203 1 37 ILE MD 1 50 LYS QD . . 1.800 3.298 1.951 4.738 2.938 7 7 "[** *.-+**1]" 1
204 1 37 ILE MD 1 50 LYS QE . . 1.800 3.363 2.327 3.910 2.110 8 10 [*****-*+**] 1
205 1 37 ILE MD 1 50 LYS QG . . 1.800 2.660 1.815 4.403 2.603 1 6 "[+ * *-** 1]" 1
206 1 37 ILE MD 1 51 CYS H . . 1.800 3.697 3.167 4.642 2.842 3 10 [**+****-**] 1
207 1 37 ILE QG 1 37 ILE MG . . 1.800 2.210 2.056 2.302 0.502 8 2 "[ . + -]" 1
208 1 37 ILE MG 1 38 ARG H . . 1.800 2.541 2.162 3.393 1.593 2 4 "[ +* .- *1]" 1
209 1 37 ILE MG 1 38 ARG HA . . 1.800 3.499 3.350 3.634 1.834 10 10 [********-+] 1
210 1 37 ILE MG 1 39 GLU QB . . 1.800 4.630 3.571 4.873 3.073 10 10 [******-**+] 1
211 1 37 ILE MG 1 39 GLU QG . . 1.800 3.788 3.498 4.577 2.777 1 10 [+****-****] 1
212 1 37 ILE MG 1 48 LYS HA . . 1.800 3.628 2.521 4.764 2.964 2 10 [*+****-***] 1
213 1 37 ILE MG 1 48 LYS QB . . 1.800 2.237 1.813 3.309 1.509 3 3 "[ *+ . -1]" 1
214 1 37 ILE MG 1 48 LYS QD . . 1.800 2.814 1.972 3.961 2.161 1 7 "[+** *-* *1]" 1
215 1 37 ILE MG 1 48 LYS QE . . 1.800 3.104 1.899 3.903 2.103 7 8 "[-***. +***]" 1
216 1 37 ILE MG 1 48 LYS QG . . 1.800 3.006 1.884 4.563 2.763 3 6 "[-*+ .** *1]" 1
217 1 37 ILE MG 1 49 THR H . . 1.800 3.577 2.780 4.828 3.028 2 10 [*+****-***] 1
218 1 37 ILE MG 1 50 LYS HA . . 1.800 4.216 3.702 5.061 3.261 7 10 [******+**-] 1
219 1 38 ARG H 1 38 ARG QD . . 1.800 4.387 4.198 5.001 3.201 7 10 [***-**+***] 1
220 1 38 ARG H 1 38 ARG QG . . 1.800 2.445 2.144 3.998 2.198 7 5 "[* - .*+ *]" 1
221 1 38 ARG H 1 48 LYS HA . . 1.800 4.041 3.626 4.227 2.427 3 10 [**+***-***] 1
222 1 38 ARG H 1 49 THR H . . 1.800 2.758 2.224 2.956 1.156 1 9 "[+*-*** ***]" 1
223 1 38 ARG H 1 50 LYS HA . . 1.800 4.077 3.679 4.436 2.636 7 10 [*-****+***] 1
224 1 38 ARG H 1 51 CYS H . . 1.800 4.845 3.970 5.238 3.438 1 10 [+*-*******] 1
225 1 38 ARG HA 1 38 ARG QG . . 1.800 3.230 2.226 3.347 1.547 10 9 "[**-*** **+]" 1
226 1 38 ARG HA 1 39 GLU H . . 1.800 2.189 2.151 2.240 0.440 10 0 "[ . 1]" 1
227 1 38 ARG HA 1 39 GLU QB . . 1.800 4.120 3.964 4.219 2.419 2 10 [-+********] 1
228 1 38 ARG QB 1 38 ARG QD . . 1.800 2.136 2.050 2.438 0.638 7 1 "[ . + 1]" 1
229 1 38 ARG QB 1 39 GLU H . . 1.800 3.066 2.822 3.593 1.793 7 10 [******+**-] 1
230 1 38 ARG QB 1 49 THR H . . 1.800 4.306 2.904 4.621 2.821 8 10 [******-+**] 1
231 1 38 ARG QB 1 49 THR MG . . 1.800 4.551 2.859 4.767 2.967 4 10 [***+**-***] 1
232 1 38 ARG QD 1 38 ARG QG . . 1.800 2.034 1.991 2.048 0.248 4 0 "[ . 1]" 1
233 1 38 ARG QG 1 39 GLU H . . 1.800 3.809 2.925 4.071 2.271 2 10 [*+****-***] 1
234 1 38 ARG QG 1 49 THR H . . 1.800 2.895 2.317 4.830 3.030 7 10 [******+**-] 1
235 1 38 ARG QG 1 49 THR MG . . 1.800 3.046 2.811 4.503 2.703 7 10 [**-***+***] 1
236 1 39 GLU H 1 39 GLU QG . . 1.800 3.528 3.191 4.080 2.280 7 10 [*-****+***] 1
237 1 39 GLU HA 1 39 GLU QG . . 1.800 2.162 2.012 2.304 0.504 7 1 "[ . + 1]" 1
238 1 39 GLU HA 1 40 ALA H . . 1.800 2.169 2.143 2.184 0.384 9 0 "[ . 1]" 1
239 1 39 GLU HA 1 40 ALA MB . . 1.800 3.911 3.878 3.980 2.180 7 10 [**-***+***] 1
240 1 39 GLU HA 1 46 THR MG . . 1.800 4.192 3.900 4.446 2.646 8 10 [*******+*-] 1
241 1 39 GLU HA 1 47 LYS H . . 1.800 4.581 4.186 5.008 3.208 10 10 [******-**+] 1
242 1 39 GLU HA 1 49 THR H . . 1.800 4.005 3.599 4.401 2.601 7 10 [*-****+***] 1
243 1 39 GLU QB 1 39 GLU QG . . 1.800 2.033 2.016 2.043 0.243 9 0 "[ . 1]" 1
244 1 39 GLU QB 1 40 ALA H . . 1.800 3.255 3.070 3.738 1.938 7 10 [**-***+***] 1
245 1 39 GLU QB 1 46 THR MG . . 1.800 3.581 3.139 4.397 2.597 7 10 [*-****+***] 1
246 1 39 GLU QG 1 40 ALA H . . 1.800 3.586 3.038 3.771 1.971 3 10 [-*+*******] 1
247 1 39 GLU QG 1 46 THR HB . . 1.800 5.174 4.862 5.286 3.486 9 10 [-*******+*] 1
248 1 39 GLU QG 1 46 THR MG . . 1.800 3.050 2.666 3.300 1.500 2 10 [*+****-***] 1
249 1 39 GLU QG 1 47 LYS H . . 1.800 4.722 3.897 5.294 3.494 10 10 [******-**+] 1
250 1 40 ALA H 1 40 ALA MB . . 1.800 2.583 2.520 2.616 0.816 10 10 [***-*****+] 1
251 1 40 ALA H 1 41 THR MG . . 1.800 4.974 4.911 5.023 3.223 2 10 [*+-*******] 1
252 1 40 ALA H 1 46 THR HA . . 1.800 4.537 4.453 4.651 2.851 4 10 [***+-*****] 1
253 1 40 ALA H 1 47 LYS H . . 1.800 3.243 3.075 3.377 1.577 1 10 [+-********] 1
254 1 40 ALA HA 1 41 THR H . . 1.800 2.240 2.183 2.278 0.478 3 0 "[ . 1]" 1
255 1 40 ALA MB 1 41 THR H . . 1.800 2.808 2.673 2.984 1.184 10 10 [******-**+] 1
256 1 40 ALA MB 1 41 THR HA . . 1.800 4.026 3.996 4.078 2.278 7 10 [-*****+***] 1
257 1 40 ALA MB 1 47 LYS H . . 1.800 4.016 3.608 4.464 2.664 7 10 [******+**-] 1
258 1 40 ALA MB 1 47 LYS QB . . 1.800 4.626 4.345 4.806 3.006 2 10 [-+********] 1
259 1 41 THR H 1 41 THR MG . . 1.800 3.730 3.589 3.825 2.025 9 10 [*******-+*] 1
260 1 41 THR H 1 42 CYS H . . 1.800 4.215 4.176 4.248 2.448 7 10 [*-****+***] 1
261 1 41 THR HA 1 41 THR MG . . 1.800 1.918 1.909 1.933 0.133 8 0 "[ . 1]" 1
262 1 41 THR HA 1 42 CYS H . . 1.800 2.142 2.141 2.143 0.343 3 0 "[ . 1]" 1
263 1 41 THR HA 1 42 CYS QB . . 1.800 4.052 4.010 4.123 2.323 3 10 [-*+*******] 1
264 1 41 THR HA 1 45 GLN H . . 1.800 4.129 3.848 4.338 2.538 9 10 [******-*+*] 1
265 1 41 THR HB 1 42 CYS H . . 1.800 3.701 3.653 3.779 1.979 2 10 [*+*****-**] 1
266 1 41 THR HB 1 45 GLN H . . 1.800 5.143 4.826 5.513 3.713 9 10 [*******-+*] 1
267 1 41 THR MG 1 42 CYS H . . 1.800 3.276 3.113 3.461 1.661 8 10 [*******+*-] 1
268 1 41 THR MG 1 44 GLU H . . 1.800 4.958 4.797 5.139 3.339 9 10 [******-*+*] 1
269 1 41 THR MG 1 44 GLU HA . . 1.800 4.501 4.252 4.691 2.891 9 10 [******-*+*] 1
270 1 41 THR MG 1 45 GLN H . . 1.800 3.591 3.424 3.806 2.006 9 10 [*******-+*] 1
271 1 41 THR MG 1 45 GLN HA . . 1.800 4.513 4.013 5.088 3.288 7 10 [******+**-] 1
272 1 42 CYS H 1 45 GLN QB . . 1.800 5.040 4.925 5.117 3.317 10 10 [**-******+] 1
273 1 42 CYS HA 1 43 ASN H . . 1.800 2.245 2.193 2.293 0.493 10 0 "[ . 1]" 1
274 1 43 ASN HA 1 44 GLU H . . 1.800 3.394 3.132 3.564 1.764 10 10 [**-******+] 1
275 1 43 ASN QB 1 44 GLU H . . 1.800 2.665 1.934 3.582 1.782 3 4 "[ +*. *- 1]" 1
276 1 43 ASN QB 1 45 GLN H . . 1.800 4.121 3.423 5.004 3.204 8 10 [*******+-*] 1
277 1 44 GLU H 1 44 GLU QG . . 1.800 4.170 4.049 4.257 2.457 2 10 [*+****-***] 1
278 1 44 GLU H 1 45 GLN H . . 1.800 2.370 1.876 3.136 1.336 8 4 "[ **. -+ 1]" 1
279 1 44 GLU HA 1 44 GLU QG . . 1.800 2.164 2.022 2.385 0.585 3 1 "[ + . 1]" 1
280 1 44 GLU HA 1 45 GLN H . . 1.800 2.647 2.301 2.865 1.065 9 10 [*******-+*] 1
281 1 44 GLU QB 1 44 GLU QG . . 1.800 2.023 2.005 2.030 0.230 1 0 "[ . 1]" 1
282 1 44 GLU QB 1 45 GLN H . . 1.800 3.895 3.816 4.012 2.212 4 10 [***+****-*] 1
283 1 44 GLU QG 1 45 GLN H . . 1.800 4.450 3.861 4.768 2.968 2 10 [*+*****-**] 1
284 1 45 GLN H 1 45 GLN QG . . 1.800 2.410 2.187 2.669 0.869 3 6 "[ +** ** -]" 1
285 1 45 GLN HA 1 45 GLN QG . . 1.800 3.348 3.299 3.375 1.575 10 10 [**-******+] 1
286 1 45 GLN HA 1 46 THR H . . 1.800 2.382 2.265 2.643 0.843 8 9 "[-******+ *]" 1
287 1 45 GLN QB 1 45 GLN QE . . 1.800 3.509 3.359 3.571 1.771 10 10 [*******-*+] 1
288 1 45 GLN QB 1 45 GLN QG . . 1.800 2.043 2.031 2.070 0.270 3 0 "[ . 1]" 1
289 1 45 GLN QB 1 46 THR H . . 1.800 2.448 1.933 2.726 0.926 9 9 "[******- +*]" 1
290 1 45 GLN QG 1 46 THR H . . 1.800 3.864 3.245 4.098 2.298 3 10 [**+****-**] 1
291 1 46 THR H 1 46 THR MG . . 1.800 3.916 3.841 3.975 2.175 6 10 [**-**+****] 1
292 1 46 THR HA 1 47 LYS H . . 1.800 2.156 2.146 2.173 0.373 7 0 "[ . 1]" 1
293 1 46 THR HB 1 47 LYS H . . 1.800 3.869 3.700 3.983 2.183 1 10 [+**-******] 1
294 1 46 THR MG 1 47 LYS H . . 1.800 2.695 2.492 2.858 1.058 10 10 [******-**+] 1
295 1 46 THR MG 1 48 LYS H . . 1.800 5.159 5.111 5.193 3.393 6 10 [***-*+****] 1
296 1 47 LYS H 1 47 LYS QG . . 1.800 2.386 2.065 2.760 0.960 5 6 "[*- *+* *1]" 1
297 1 47 LYS HA 1 48 LYS H . . 1.800 2.275 2.161 2.408 0.608 5 5 "[* +** -1]" 1
298 1 47 LYS QB 1 47 LYS QD . . 1.800 2.164 1.978 2.352 0.552 6 3 "[* -+ 1]" 1
299 1 47 LYS QB 1 48 LYS H . . 1.800 2.756 2.448 3.112 1.312 3 10 [**+*-*****] 1
300 1 47 LYS QB 1 49 THR H . . 1.800 5.161 4.950 5.300 3.500 3 10 [**+*-*****] 1
301 1 47 LYS QB 1 49 THR MG . . 1.800 3.495 3.210 3.716 1.916 2 10 [*+-*******] 1
302 1 47 LYS QD 1 47 LYS QE . . 1.800 2.070 2.033 2.101 0.301 8 0 "[ . 1]" 1
303 1 47 LYS QD 1 47 LYS QG . . 1.800 2.030 2.011 2.041 0.241 7 0 "[ . 1]" 1
304 1 47 LYS QD 1 48 LYS H . . 1.800 4.686 3.215 5.097 3.297 2 10 [*+****-***] 1
305 1 47 LYS QE 1 47 LYS QG . . 1.800 2.152 1.983 2.291 0.491 1 0 "[ . 1]" 1
306 1 47 LYS QE 1 49 THR MG . . 1.800 2.800 2.027 3.736 1.936 1 5 "[+ * ** -]" 1
307 1 48 LYS H 1 48 LYS QD . . 1.800 4.037 2.953 4.534 2.734 4 10 [-**+******] 1
308 1 48 LYS H 1 48 LYS QG . . 1.800 2.659 1.959 3.473 1.673 5 6 "[ -*+ ***]" 1
309 1 48 LYS HA 1 49 THR H . . 1.800 2.158 2.153 2.175 0.375 10 0 "[ . 1]" 1
310 1 48 LYS HA 1 49 THR MG . . 1.800 3.422 3.292 3.537 1.737 7 10 [**-***+***] 1
311 1 48 LYS QD 1 48 LYS QE . . 1.800 2.029 2.011 2.040 0.240 1 0 "[ . 1]" 1
312 1 49 THR H 1 49 THR MG . . 1.800 2.450 2.366 2.579 0.779 7 10 [-*****+***] 1
313 1 49 THR HA 1 49 THR MG . . 1.800 2.519 2.436 2.657 0.857 3 10 [**+***-***] 1
314 1 49 THR HA 1 50 LYS H . . 1.800 2.250 2.159 2.438 0.638 10 2 "[ . - +]" 1
315 1 49 THR HB 1 50 LYS H . . 1.800 2.927 2.441 3.347 1.547 3 10 [**+******-] 1
316 1 49 THR MG 1 50 LYS H . . 1.800 4.106 3.909 4.314 2.514 3 10 [**+******-] 1
317 1 50 LYS H 1 50 LYS QD . . 1.800 3.292 2.247 4.686 2.886 7 9 "[** ***+-**]" 1
318 1 50 LYS H 1 50 LYS QE . . 1.800 3.888 2.172 4.961 3.161 10 9 "[*-****** +]" 1
319 1 50 LYS H 1 50 LYS QG . . 1.800 3.051 1.970 3.898 2.098 10 8 "[ ***-***+]" 1
320 1 50 LYS HA 1 51 CYS H . . 1.800 2.231 2.141 2.345 0.545 9 1 "[ . +1]" 1
321 1 50 LYS QB 1 51 CYS H . . 1.800 2.976 2.588 3.528 1.728 10 10 [********-+] 1
322 1 50 LYS QG 1 51 CYS H . . 1.800 3.651 2.975 4.140 2.340 6 10 [****-+****] 1
323 1 51 CYS HA 1 52 LYS H . . 1.800 2.429 2.260 2.488 0.688 2 8 "[*+ ***-**1]" 1
324 1 51 CYS QB 1 52 LYS H . . 1.800 2.713 2.207 3.509 1.709 3 8 "[ -+** ****]" 1
325 1 52 LYS HA 1 53 VAL H . . 1.800 2.160 2.148 2.237 0.437 10 0 "[ . 1]" 1
326 1 52 LYS HA 1 53 VAL QG . . 1.800 3.333 3.309 3.351 1.551 8 10 [*-*****+**] 1
327 1 52 LYS QB 1 53 VAL H . . 1.800 3.552 3.346 3.658 1.858 7 10 [******+**-] 1
328 1 52 LYS QD 1 53 VAL H . . 1.800 2.405 2.263 2.576 0.776 3 9 "[*-+***** *]" 1
329 1 52 LYS QD 1 53 VAL QG . . 1.800 3.131 2.934 3.320 1.520 7 10 [******+**-] 1
330 1 52 LYS QG 1 53 VAL H . . 1.800 3.503 2.877 4.002 2.202 5 10 [****+****-] 1
331 1 53 VAL H 1 53 VAL QG . . 1.800 1.951 1.905 2.038 0.238 7 0 "[ . 1]" 1
332 1 53 VAL HA 1 53 VAL QG . . 1.800 2.313 2.258 2.356 0.556 7 8 "[**-***+ *1]" 1
333 1 53 VAL HA 1 54 PRO QD . . 1.800 2.071 2.069 2.073 0.273 10 0 "[ . 1]" 1
334 1 53 VAL HA 1 54 PRO QG . . 1.800 3.984 3.981 3.986 2.186 10 10 [**-******+] 1
335 1 53 VAL HB 1 53 VAL QG . . 1.800 1.876 1.871 1.879 0.079 10 0 "[ . 1]" 1
336 1 53 VAL MG1 1 53 VAL MG2 . . 1.800 2.042 2.013 2.070 0.270 10 0 "[ . 1]" 1
337 1 53 VAL QG 1 55 CYS HA . . 1.800 3.874 3.762 3.959 2.159 6 10 [*****+-***] 1
338 1 54 PRO HA 1 54 PRO QD . . 1.800 3.383 3.382 3.383 1.583 9 10 [********+-] 1
339 1 54 PRO HA 1 55 CYS H . . 1.800 2.433 2.424 2.461 0.661 6 10 [*-***+****] 1
340 1 54 PRO QD 1 54 PRO QG . . 1.800 1.970 1.969 1.970 0.170 9 0 "[ . 1]" 1
341 1 56 ASN HA 1 57 TRP H . . 1.800 2.630 2.140 3.570 1.770 10 6 "[* .*-**+]" 1
342 1 56 ASN QB 1 57 TRP H . . 1.800 3.560 2.130 4.031 2.231 7 9 [******+*-1] 1
343 1 57 TRP H 1 57 TRP HD1 . . 1.800 3.835 1.964 5.250 3.450 6 9 "[ ****+**-*]" 1
344 1 57 TRP HA 1 57 TRP HD1 . . 1.800 2.889 2.116 4.579 2.779 8 8 "[*** ***+ -]" 1
345 1 57 TRP HA 1 57 TRP HE3 . . 1.800 4.502 2.011 5.141 3.341 4 9 "[**-+*** **]" 1
346 1 57 TRP HA 1 58 LYS H . . 1.800 2.973 2.169 3.569 1.769 4 9 "[*-*+** ***]" 1
347 1 57 TRP QB 1 58 LYS H . . 1.800 2.731 2.011 4.051 2.251 1 5 "[+- .*** 1]" 1
348 1 58 LYS H 1 58 LYS QD . . 1.800 4.305 3.459 5.171 3.371 2 10 [*+*******-] 1
349 1 58 LYS H 1 58 LYS QG . . 1.800 4.062 3.106 4.485 2.685 4 10 [***+****-*] 1
350 1 58 LYS HA 1 58 LYS QG . . 1.800 2.296 2.067 2.632 0.832 4 5 "[* +.**- 1]" 1
351 1 58 LYS QB 1 58 LYS QG . . 1.800 2.047 2.007 2.078 0.278 2 0 "[ . 1]" 1
352 1 58 LYS QD 1 58 LYS QG . . 1.800 2.036 2.022 2.040 0.240 5 0 "[ . 1]" 1
353 1 58 LYS HE2 1 58 LYS QG . . 1.800 2.159 1.987 2.668 0.868 10 1 "[ . +]" 1
354 1 59 LYS H 1 59 LYS QD . . 1.800 4.591 3.991 5.168 3.368 7 10 [***-**+***] 1
355 1 59 LYS H 1 59 LYS QG . . 1.800 3.980 3.651 4.260 2.460 6 10 [**-**+****] 1
356 1 59 LYS HA 1 60 ASP H . . 1.800 2.672 2.149 3.554 1.754 8 7 "[ ***-+**]" 1
357 1 59 LYS QB 1 60 ASP H . . 1.800 2.932 1.988 4.029 2.229 7 8 "[***-**+ *1]" 1
358 1 59 LYS QD 1 60 ASP H . . 1.800 3.943 1.946 5.033 3.233 6 9 [**-**+***1] 1
359 1 59 LYS QG 1 60 ASP H . . 1.800 2.890 1.976 4.427 2.627 6 7 "[ **-.+** *]" 1
360 1 60 ASP HA 1 61 PHE H . . 1.800 2.714 2.145 3.554 1.754 1 8 "[+** ** *-*]" 1
361 1 60 ASP QB 1 61 PHE H . . 1.800 2.997 2.004 4.054 2.254 3 8 "[* +*- ****]" 1
362 1 60 ASP QB 1 61 PHE QD . . 1.800 3.821 2.083 4.882 3.082 9 9 "[-**** **+*]" 1
363 1 61 PHE H 1 61 PHE QD . . 1.800 3.376 2.715 4.528 2.728 8 10 [*****-*+**] 1
364 1 61 PHE H 1 62 GLY H . . 1.800 3.852 2.186 4.577 2.777 2 9 "[*+**-** **]" 1
365 1 61 PHE HA 1 61 PHE QD . . 1.800 2.709 2.217 3.060 1.260 5 8 "[*-**+* * *]" 1
366 1 61 PHE HA 1 62 GLY H . . 1.800 2.609 2.222 3.559 1.759 5 7 "[** +* **-]" 1
367 1 61 PHE QB 1 62 GLY H . . 1.800 2.680 1.980 3.901 2.101 8 5 "[ **. *+ -]" 1
368 1 62 GLY H 1 63 ALA H . . 1.800 4.027 3.572 4.383 2.583 7 10 [*****-+***] 1
369 1 62 GLY H 1 93 PHE QB . . 1.800 5.259 5.136 5.339 3.539 3 10 [**+*****-*] 1
370 1 62 GLY QA 1 63 ALA H . . 1.800 2.162 2.111 2.281 0.481 7 0 "[ . 1]" 1
371 1 62 GLY QA 1 64 ASP H . . 1.800 3.528 3.080 4.045 2.245 6 10 [*****+-***] 1
372 1 63 ALA H 1 63 ALA MB . . 1.800 2.144 2.035 2.234 0.434 1 0 "[ . 1]" 1
373 1 63 ALA H 1 64 ASP H . . 1.800 2.531 2.228 2.751 0.951 1 9 "[+ -*******]" 1
374 1 63 ALA HA 1 64 ASP H . . 1.800 3.502 3.425 3.557 1.757 6 10 [*-***+****] 1
375 1 63 ALA MB 1 64 ASP H . . 1.800 2.749 2.409 2.998 1.198 2 10 [-+********] 1
376 1 63 ALA MB 1 65 CYS H . . 1.800 2.793 2.249 4.069 2.269 10 9 "[** **-***+]" 1
377 1 63 ALA MB 1 65 CYS QB . . 1.800 2.877 2.471 3.565 1.765 10 10 [***-*****+] 1
378 1 64 ASP H 1 65 CYS H . . 1.800 2.871 2.701 3.421 1.621 10 10 [-********+] 1
379 1 64 ASP HA 1 65 CYS H . . 1.800 2.774 2.270 2.985 1.185 1 9 [+***-****1] 1
380 1 64 ASP HA 1 92 LEU QB . . 1.800 4.733 4.482 4.926 3.126 1 10 [+-********] 1
381 1 64 ASP HA 1 92 LEU QD . . 1.800 4.350 3.839 4.875 3.075 1 10 [+****-****] 1
382 1 64 ASP QB 1 92 LEU QD . . 1.800 3.275 2.306 3.836 2.036 1 10 [+********-] 1
383 1 65 CYS HA 1 66 LYS H . . 1.800 2.224 2.222 2.225 0.425 3 0 "[ . 1]" 1
384 1 65 CYS HA 1 88 LEU QD . . 1.800 3.635 3.206 4.649 2.849 9 10 [********+-] 1
385 1 65 CYS QB 1 66 LYS H . . 1.800 2.866 2.859 2.887 1.087 10 10 [******-**+] 1
386 1 65 CYS QB 1 67 TYR QE . . 1.800 2.583 1.923 3.490 1.690 3 6 "[**+-. * *1]" 1
387 1 65 CYS QB 1 88 LEU QD . . 1.800 2.217 1.914 3.050 1.250 9 3 "[- * . +1]" 1
388 1 66 LYS H 1 66 LYS QD . . 1.800 4.164 3.630 4.573 2.773 6 10 [-****+****] 1
389 1 66 LYS H 1 66 LYS QG . . 1.800 3.609 2.416 4.168 2.368 1 10 [+********-] 1
390 1 66 LYS H 1 88 LEU QD . . 1.800 2.872 2.393 3.865 2.065 3 10 [**+***-***] 1
391 1 66 LYS H 1 91 ALA HA . . 1.800 4.099 3.466 5.288 3.488 3 10 [**+*-*****] 1
392 1 66 LYS HA 1 66 LYS QD . . 1.800 2.867 2.174 3.823 2.023 7 8 "[****.*+* -]" 1
393 1 66 LYS HA 1 67 TYR H . . 1.800 2.146 2.140 2.199 0.399 9 0 "[ . 1]" 1
394 1 66 LYS QB 1 67 TYR H . . 1.800 3.631 3.338 3.846 2.046 3 10 [**+******-] 1
395 1 66 LYS QB 1 90 LYS H . . 1.800 2.600 2.157 3.229 1.429 2 9 "[*+****** -]" 1
396 1 66 LYS QD 1 67 TYR H . . 1.800 3.853 2.573 4.699 2.899 2 10 [*+******-*] 1
397 1 67 TYR H 1 67 TYR QD . . 1.800 3.099 2.641 3.619 1.819 9 10 [********+-] 1
398 1 67 TYR HA 1 68 LYS H . . 1.800 2.281 2.177 2.446 0.646 3 2 "[- + . 1]" 1
399 1 67 TYR HA 1 68 LYS QB . . 1.800 3.933 3.868 3.994 2.194 9 10 [-*******+*] 1
400 1 67 TYR HA 1 88 LEU HA . . 1.800 2.445 1.995 3.272 1.472 9 6 "[ * -***+1]" 1
401 1 67 TYR HA 1 88 LEU QD . . 1.800 3.548 3.064 4.118 2.318 3 10 [*-+*******] 1
402 1 67 TYR HA 1 89 LYS H . . 1.800 3.824 3.242 4.254 2.454 2 10 [*+******-*] 1
403 1 67 TYR QB 1 68 LYS H . . 1.800 2.715 2.313 3.044 1.244 5 10 [**-*+*****] 1
404 1 67 TYR QB 1 87 THR H . . 1.800 5.047 4.508 5.343 3.543 2 10 [*+*******-] 1
405 1 67 TYR QD 1 68 LYS H . . 1.800 3.540 3.151 3.804 2.004 10 10 [**-******+] 1
406 1 67 TYR QD 1 87 THR H . . 1.800 5.223 4.899 5.468 3.668 8 10 [**-****+**] 1
407 1 67 TYR QD 1 88 LEU HA . . 1.800 3.636 2.730 4.092 2.292 8 10 [**-****+**] 1
408 1 67 TYR QD 1 88 LEU QD . . 1.800 3.201 2.882 3.457 1.657 3 10 [**+*****-*] 1
409 1 67 TYR QD 1 101 ILE MD . . 1.800 2.126 1.955 2.467 0.667 9 3 "[- * . +1]" 1
410 1 67 TYR QD 1 101 ILE MG . . 1.800 3.443 3.282 3.642 1.842 1 10 [+******-**] 1
411 1 67 TYR QE 1 88 LEU H . . 1.800 4.717 4.091 5.500 3.700 9 10 [**-*****+*] 1
412 1 67 TYR QE 1 88 LEU QB . . 1.800 2.920 2.193 4.681 2.881 9 9 "[-* *****+*]" 1
413 1 67 TYR QE 1 88 LEU QD . . 1.800 2.691 2.329 2.807 1.007 3 10 [**+*****-*] 1
414 1 67 TYR QE 1 101 ILE H . . 1.800 5.453 5.211 5.535 3.735 10 10 [********-+] 1
415 1 67 TYR QE 1 101 ILE MD . . 1.800 3.643 3.586 3.676 1.876 1 10 [+**-******] 1
416 1 67 TYR QE 1 101 ILE MG . . 1.800 3.336 3.168 3.520 1.720 10 10 [*-*******+] 1
417 1 68 LYS H 1 68 LYS QG . . 1.800 4.130 4.049 4.253 2.453 1 10 [+*******-*] 1
418 1 68 LYS H 1 87 THR H . . 1.800 3.359 2.912 3.717 1.917 5 10 [****+****-] 1
419 1 68 LYS H 1 88 LEU HA . . 1.800 3.044 2.585 3.941 2.141 9 10 [****-***+*] 1
420 1 68 LYS HA 1 68 LYS QG . . 1.800 2.408 2.102 3.012 1.212 9 6 "[* **.- *+1]" 1
421 1 68 LYS HA 1 69 PHE H . . 1.800 2.151 2.146 2.153 0.353 2 0 "[ . 1]" 1
422 1 68 LYS QB 1 68 LYS QG . . 1.800 2.024 2.005 2.031 0.231 5 0 "[ . 1]" 1
423 1 68 LYS QB 1 69 PHE H . . 1.800 3.864 3.806 3.918 2.118 9 10 [******-*+*] 1
424 1 68 LYS QD 1 69 PHE H . . 1.800 3.779 2.669 4.739 2.939 5 10 [****+***-*] 1
425 1 68 LYS QG 1 69 PHE H . . 1.800 3.296 3.004 3.863 2.063 7 10 [***-**+***] 1
426 1 69 PHE HA 1 69 PHE QD . . 1.800 2.517 2.050 2.871 1.071 4 7 "[** +* - **]" 1
427 1 69 PHE HA 1 70 GLY H . . 1.800 2.344 2.339 2.351 0.551 10 10 [*******-*+] 1
428 1 69 PHE HA 1 86 GLY QA . . 1.800 2.852 2.515 3.210 1.410 10 10 [******-**+] 1
429 1 69 PHE HA 1 87 THR H . . 1.800 4.276 4.075 4.524 2.724 10 10 [****-****+] 1
430 1 69 PHE QB 1 70 GLY H . . 1.800 2.565 2.537 2.610 0.810 3 10 [-*+*******] 1
431 1 69 PHE QD 1 86 GLY QA . . 1.800 3.310 2.911 3.752 1.952 10 10 [*****-***+] 1
432 1 69 PHE QD 1 101 ILE MD . . 1.800 3.182 2.819 3.416 1.616 1 10 [+****-****] 1
433 1 69 PHE QD 1 103 VAL QG . . 1.800 3.610 3.489 3.848 2.048 6 10 [*-***+****] 1
434 1 69 PHE QE 1 101 ILE MD . . 1.800 2.365 1.998 2.754 0.954 3 5 "[**+-. *]" 1
435 1 69 PHE QE 1 101 ILE MG . . 1.800 3.497 3.293 3.623 1.823 4 10 [***+*-****] 1
436 1 69 PHE QE 1 103 VAL QG . . 1.800 2.563 2.138 2.897 1.097 6 8 "[* **+-***]" 1
437 1 69 PHE HZ 1 101 ILE MD . . 1.800 2.471 2.169 2.833 1.033 6 8 "[-** *+***1]" 1
438 1 69 PHE HZ 1 101 ILE MG . . 1.800 3.320 2.640 3.638 1.838 6 10 [**-**+****] 1
439 1 69 PHE HZ 1 103 VAL QG . . 1.800 3.377 2.027 4.047 2.247 9 9 "[*- *****+*]" 1
440 1 70 GLY H 1 86 GLY QA . . 1.800 4.091 3.662 4.645 2.845 10 10 [*******-*+] 1
441 1 70 GLY QA 1 71 ARG H . . 1.800 2.337 2.128 2.540 0.740 7 6 "[* -*. +**1]" 1
442 1 71 ARG H 1 71 ARG QD . . 1.800 4.322 3.490 5.121 3.321 9 10 [*******-+*] 1
443 1 71 ARG H 1 71 ARG QG . . 1.800 2.768 2.100 3.807 2.007 9 9 [******-*+1] 1
444 1 71 ARG HA 1 71 ARG QD . . 1.800 3.396 2.089 3.924 2.124 8 9 [****.**+-*] 1
445 1 71 ARG HA 1 71 ARG QG . . 1.800 2.752 2.095 3.372 1.572 8 9 "[*****-*+ *]" 1
446 1 71 ARG HA 1 72 TRP H . . 1.800 2.448 2.220 2.815 1.015 3 6 "[* +** *- 1]" 1
447 1 71 ARG HA 1 72 TRP QB . . 1.800 4.320 4.203 4.548 2.748 2 10 [*+******-*] 1
448 1 71 ARG HA 1 72 TRP HD1 . . 1.800 4.343 3.461 5.142 3.342 9 10 [*-******+*] 1
449 1 71 ARG QB 1 71 ARG QD . . 1.800 2.170 1.979 2.502 0.702 5 3 "[ - + * 1]" 1
450 1 71 ARG QB 1 71 ARG QG . . 1.800 2.043 2.017 2.079 0.279 2 0 "[ . 1]" 1
451 1 71 ARG QB 1 72 TRP H . . 1.800 2.464 1.901 2.930 1.130 9 7 "[ * **-*+*]" 1
452 1 71 ARG QB 1 73 ALA MB . . 1.800 4.165 3.815 4.467 2.667 2 10 [*+******-*] 1
453 1 71 ARG QD 1 71 ARG QG . . 1.800 2.027 2.010 2.036 0.236 6 0 "[ . 1]" 1
454 1 71 ARG QG 1 72 TRP H . . 1.800 4.105 3.656 4.440 2.640 5 10 [****+***-*] 1
455 1 72 TRP H 1 72 TRP HD1 . . 1.800 3.462 2.247 4.121 2.321 4 9 "[* *+*****-]" 1
456 1 72 TRP H 1 72 TRP HE3 . . 1.800 5.228 5.004 5.418 3.618 1 10 [+******-**] 1
457 1 72 TRP HA 1 72 TRP HE3 . . 1.800 2.694 2.430 3.308 1.508 2 10 [*+*****-**] 1
458 1 72 TRP HA 1 73 ALA H . . 1.800 3.086 2.219 3.357 1.557 9 9 "[* ******+-]" 1
459 1 72 TRP HA 1 73 ALA MB . . 1.800 3.822 3.727 3.978 2.178 2 10 [*+*******-] 1
460 1 72 TRP HA 1 84 ARG QB . . 1.800 2.193 1.926 2.924 1.124 10 2 "[ - . +]" 1
461 1 72 TRP QB 1 73 ALA H . . 1.800 3.510 3.225 3.745 1.945 10 10 [********-+] 1
462 1 72 TRP HE3 1 82 ARG QB . . 1.800 3.769 3.187 4.061 2.261 9 10 [*****-**+*] 1
463 1 72 TRP HE3 1 82 ARG QG . . 1.800 3.811 2.604 4.736 2.936 6 10 [*-***+****] 1
464 1 72 TRP HE3 1 83 SER HA . . 1.800 3.736 3.282 4.121 2.321 1 10 [+*******-*] 1
465 1 72 TRP HE3 1 84 ARG H . . 1.800 3.725 3.496 3.893 2.093 10 10 [******-**+] 1
466 1 72 TRP HE3 1 84 ARG QB . . 1.800 2.526 2.332 2.811 1.011 9 10 [*****-**+*] 1
467 1 72 TRP HE3 1 103 VAL QG . . 1.800 3.657 3.624 3.700 1.900 10 10 [***-*****+] 1
468 1 72 TRP HE3 1 105 LYS H . . 1.800 4.387 3.901 4.769 2.969 2 10 [*+****-***] 1
469 1 72 TRP HH2 1 103 VAL QG . . 1.800 2.144 1.993 2.298 0.498 9 0 "[ . 1]" 1
470 1 72 TRP HZ2 1 103 VAL QG . . 1.800 3.448 3.415 3.496 1.696 2 10 [*+**-*****] 1
471 1 72 TRP HZ3 1 83 SER HA . . 1.800 3.304 2.924 3.633 1.833 2 10 [*+******-*] 1
472 1 72 TRP HZ3 1 84 ARG H . . 1.800 2.973 2.784 3.168 1.368 2 10 [*+****-***] 1
473 1 72 TRP HZ3 1 103 VAL QG . . 1.800 2.097 2.053 2.309 0.509 9 1 "[ . +1]" 1
474 1 72 TRP HZ3 1 104 SER HA . . 1.800 2.898 2.525 3.383 1.583 2 10 [*+****-***] 1
475 1 72 TRP HZ3 1 105 LYS H . . 1.800 4.054 3.721 4.764 2.964 2 10 [*+****-***] 1
476 1 73 ALA H 1 73 ALA MB . . 1.800 2.785 2.076 2.896 1.096 7 9 "[* *-**+***]" 1
477 1 73 ALA H 1 84 ARG HA . . 1.800 5.413 4.419 5.592 3.792 10 10 [*-*******+] 1
478 1 73 ALA HA 1 74 GLU H . . 1.800 2.639 2.559 2.670 0.870 6 10 [*****+**-*] 1
479 1 73 ALA HA 1 74 GLU QG . . 1.800 3.639 3.520 3.867 2.067 2 10 [*+***-****] 1
480 1 73 ALA MB 1 74 GLU H . . 1.800 1.965 1.906 2.287 0.487 9 0 "[ . 1]" 1
481 1 73 ALA MB 1 74 GLU HA . . 1.800 4.119 4.084 4.170 2.370 7 10 [******+*-*] 1
482 1 73 ALA MB 1 74 GLU QB . . 1.800 3.815 3.626 4.034 2.234 9 10 [*-******+*] 1
483 1 73 ALA MB 1 74 GLU QG . . 1.800 3.807 3.575 4.237 2.437 9 10 [*-******+*] 1
484 1 73 ALA MB 1 82 ARG HA . . 1.800 4.504 3.610 4.862 3.062 2 10 [*+******-*] 1
485 1 73 ALA MB 1 83 SER H . . 1.800 4.008 3.274 4.625 2.825 2 10 [*+******-*] 1
486 1 73 ALA MB 1 84 ARG HA . . 1.800 4.097 3.525 4.828 3.028 2 10 [*+******-*] 1
487 1 74 GLU H 1 74 GLU QG . . 1.800 2.345 2.026 2.760 0.960 9 5 "[ *-* *+1]" 1
488 1 74 GLU HA 1 74 GLU QG . . 1.800 2.798 2.458 2.913 1.113 2 10 [*+******-*] 1
489 1 74 GLU HA 1 75 CYS H . . 1.800 2.413 2.168 2.528 0.728 4 8 "[***+.-* **]" 1
490 1 74 GLU QB 1 74 GLU QG . . 1.800 2.021 2.015 2.027 0.227 9 0 "[ . 1]" 1
491 1 74 GLU QB 1 75 CYS H . . 1.800 2.411 2.147 3.068 1.268 8 5 "[* - ** + 1]" 1
492 1 74 GLU QG 1 75 CYS H . . 1.800 4.288 4.051 4.568 2.768 8 10 [*******+-*] 1
493 1 75 CYS HA 1 76 ASP H . . 1.800 2.229 2.139 2.531 0.731 4 2 "[ +. - 1]" 1
494 1 75 CYS HA 1 82 ARG QG . . 1.800 3.760 1.954 4.331 2.531 9 9 "[***** *-+*]" 1
495 1 75 CYS QB 1 76 ASP H . . 1.800 3.087 2.224 3.481 1.681 10 9 "[*** -****+]" 1
496 1 76 ASP H 1 82 ARG HA . . 1.800 3.982 3.239 5.174 3.374 7 10 [*-****+***] 1
497 1 76 ASP HA 1 77 THR H . . 1.800 2.168 2.138 2.191 0.391 4 0 "[ . 1]" 1
498 1 76 ASP HA 1 77 THR MG . . 1.800 4.028 3.550 4.636 2.836 2 10 [*+-*******] 1
499 1 76 ASP HA 1 78 THR H . . 1.800 3.677 3.583 3.845 2.045 7 10 [******+**-] 1
500 1 76 ASP QB 1 77 THR H . . 1.800 3.418 3.020 3.734 1.934 3 10 [*-+*******] 1
501 1 76 ASP QB 1 81 THR H . . 1.800 3.341 1.919 4.320 2.520 6 9 "[***-*+ ***]" 1
502 1 77 THR H 1 77 THR MG . . 1.800 2.536 2.038 3.152 1.352 7 5 "[ * *. +-*1]" 1
503 1 77 THR H 1 78 THR H . . 1.800 2.580 2.511 2.671 0.871 2 10 [*+****-***] 1
504 1 77 THR HA 1 77 THR MG . . 1.800 2.194 1.953 2.426 0.626 3 5 "[* + *- *]" 1
505 1 77 THR HA 1 78 THR H . . 1.800 3.420 3.347 3.476 1.676 7 10 [******+-**] 1
506 1 77 THR HA 1 80 GLY H . . 1.800 3.836 3.482 4.922 3.122 7 10 [**-***+***] 1
507 1 77 THR MG 1 109 PRO QB . . 1.800 3.808 3.331 4.210 2.410 6 10 [*-***+****] 1
508 1 77 THR MG 1 109 PRO QG . . 1.800 3.644 2.930 4.950 3.150 7 10 [******+-**] 1
509 1 78 THR H 1 78 THR MG . . 1.800 3.624 3.082 3.791 1.991 8 10 [*******+*-] 1
510 1 78 THR H 1 79 THR H . . 1.800 3.090 2.781 3.216 1.416 2 10 [*+*-******] 1
511 1 78 THR H 1 79 THR HA . . 1.800 5.411 5.152 5.523 3.723 1 10 [+**-******] 1
512 1 78 THR H 1 80 GLY H . . 1.800 3.551 3.183 3.723 1.923 8 10 [***-***+**] 1
513 1 78 THR HA 1 78 THR MG . . 1.800 2.267 2.102 2.406 0.606 1 6 "[+*- ** *1]" 1
514 1 78 THR HA 1 79 THR H . . 1.800 3.487 2.890 3.560 1.760 6 10 [*****+*-**] 1
515 1 78 THR HB 1 79 THR H . . 1.800 2.234 1.934 4.131 2.331 8 1 "[ . + 1]" 1
516 1 79 THR H 1 79 THR MG . . 1.800 2.375 1.897 3.839 2.039 9 3 "[ . *-+1]" 1
517 1 79 THR H 1 80 GLY H . . 1.800 2.322 1.986 2.892 1.092 7 4 "[- *. + *]" 1
518 1 79 THR H 1 80 GLY QA . . 1.800 4.191 3.547 4.621 2.821 7 10 [******+-**] 1
519 1 79 THR HA 1 79 THR MG . . 1.800 3.010 2.303 3.191 1.391 2 10 [*+******-*] 1
520 1 79 THR HA 1 80 GLY H . . 1.800 3.379 3.169 3.560 1.760 7 10 [*-****+***] 1
521 1 79 THR HA 1 81 THR MG . . 1.800 4.570 4.010 5.219 3.419 4 10 [*-*+******] 1
522 1 79 THR HB 1 81 THR MG . . 1.800 4.287 2.404 5.127 3.327 4 10 [***+****-*] 1
523 1 79 THR MG 1 80 GLY H . . 1.800 2.739 1.897 3.990 2.190 9 7 "[*** * * +-]" 1
524 1 79 THR MG 1 80 GLY QA . . 1.800 3.823 3.490 4.102 2.302 9 10 [***-****+*] 1
525 1 80 GLY H 1 81 THR H . . 1.800 2.566 2.318 2.832 1.032 2 10 [*+****-***] 1
526 1 80 GLY H 1 81 THR MG . . 1.800 4.184 3.444 5.031 3.231 4 10 [***+****-*] 1
527 1 80 GLY QA 1 81 THR H . . 1.800 2.804 2.572 2.918 1.118 10 10 [********-+] 1
528 1 80 GLY QA 1 81 THR MG . . 1.800 3.356 3.092 4.234 2.434 4 10 [***+***-**] 1
529 1 80 GLY QA 1 108 THR HA . . 1.800 4.859 4.061 5.264 3.464 1 10 [+-********] 1
530 1 81 THR H 1 81 THR MG . . 1.800 2.752 1.910 3.585 1.785 4 9 [***+.**-**] 1
531 1 81 THR HA 1 81 THR MG . . 1.800 2.527 2.045 2.979 1.179 5 8 "[*** + ***-]" 1
532 1 81 THR HA 1 82 ARG H . . 1.800 2.352 2.301 2.507 0.707 7 10 [***-**+***] 1
533 1 81 THR HA 1 105 LYS H . . 1.800 4.394 4.104 4.709 2.909 7 10 [*-****+***] 1
534 1 81 THR HA 1 107 CYS H . . 1.800 2.474 2.024 2.810 1.010 4 7 "[* *+-** *]" 1
535 1 81 THR HB 1 82 ARG H . . 1.800 2.722 2.583 3.201 1.401 5 10 [****+*-***] 1
536 1 81 THR HB 1 104 SER QB . . 1.800 3.531 2.988 4.200 2.400 7 10 [*****-+***] 1
537 1 81 THR HB 1 105 LYS H . . 1.800 3.210 2.709 4.023 2.223 4 10 [*-*+******] 1
538 1 81 THR MG 1 82 ARG H . . 1.800 3.864 2.999 4.181 2.381 5 10 [***-+*****] 1
539 1 81 THR MG 1 104 SER QB . . 1.800 3.975 3.253 4.509 2.709 7 10 [***-**+***] 1
540 1 81 THR MG 1 105 LYS H . . 1.800 4.382 3.637 4.976 3.176 8 10 [***-***+**] 1
541 1 81 THR MG 1 106 PRO HA . . 1.800 2.086 1.885 2.961 1.161 5 1 "[ + 1]" 1
542 1 81 THR MG 1 106 PRO QB . . 1.800 2.155 1.851 2.897 1.097 2 2 "[ + - 1]" 1
543 1 81 THR MG 1 106 PRO QG . . 1.800 3.552 3.053 4.416 2.616 2 10 [-+********] 1
544 1 81 THR MG 1 107 CYS H . . 1.800 3.588 3.305 4.468 2.668 5 10 [*-**+*****] 1
545 1 82 ARG H 1 82 ARG QG . . 1.800 3.518 1.993 4.369 2.569 8 7 "[* * *-*+ *]" 1
546 1 82 ARG H 1 104 SER QB . . 1.800 4.236 3.896 4.418 2.618 5 10 [***-+*****] 1
547 1 82 ARG H 1 105 LYS H . . 1.800 2.725 2.487 2.871 1.071 3 10 [**+-******] 1
548 1 82 ARG HA 1 82 ARG QG . . 1.800 2.963 2.185 3.347 1.547 2 9 "[*+*** *-**]" 1
549 1 82 ARG HA 1 83 SER H . . 1.800 2.215 2.142 2.324 0.524 7 1 "[ . + 1]" 1
550 1 82 ARG HA 1 83 SER QB . . 1.800 4.359 4.259 4.463 2.663 2 10 [*+****-***] 1
551 1 82 ARG QB 1 82 ARG QD . . 1.800 2.256 2.024 2.392 0.592 6 7 "[* * *+*- *]" 1
552 1 82 ARG QB 1 83 SER H . . 1.800 3.402 3.232 3.543 1.743 1 10 [+**-******] 1
553 1 82 ARG QB 1 105 LYS H . . 1.800 4.184 3.630 4.636 2.836 9 10 [*****-**+*] 1
554 1 82 ARG QD 1 82 ARG QG . . 1.800 2.045 1.986 2.100 0.300 2 0 "[ . 1]" 1
555 1 83 SER HA 1 84 ARG H . . 1.800 2.256 2.211 2.341 0.541 9 1 "[ . +1]" 1
556 1 83 SER HA 1 104 SER HA . . 1.800 2.109 1.939 2.333 0.533 10 1 "[ . +]" 1
557 1 83 SER HA 1 105 LYS H . . 1.800 3.759 3.523 3.944 2.144 10 10 [********-+] 1
558 1 83 SER QB 1 84 ARG H . . 1.800 2.772 2.552 2.905 1.105 1 10 [+*******-*] 1
559 1 83 SER QB 1 102 LYS QD . . 1.800 3.994 3.110 4.673 2.873 6 10 [****-+****] 1
560 1 83 SER QB 1 103 VAL H . . 1.800 4.056 3.909 4.152 2.352 2 10 [*+*****-**] 1
561 1 83 SER QB 1 103 VAL QG . . 1.800 4.156 3.871 4.288 2.488 10 10 [********-+] 1
562 1 83 SER QB 1 104 SER HA . . 1.800 3.358 2.759 3.664 1.864 10 10 [********-+] 1
563 1 84 ARG H 1 103 VAL H . . 1.800 3.061 2.988 3.106 1.306 1 10 [+***-*****] 1
564 1 84 ARG H 1 103 VAL QG . . 1.800 2.259 2.122 2.369 0.569 5 5 "[* - + * *]" 1
565 1 84 ARG H 1 104 SER HA . . 1.800 3.609 3.515 3.701 1.901 10 10 [*******-*+] 1
566 1 84 ARG HA 1 85 SER H . . 1.800 2.225 2.214 2.235 0.435 9 0 "[ . 1]" 1
567 1 84 ARG QB 1 85 SER H . . 1.800 3.549 3.371 3.588 1.788 4 10 [***+*****-] 1
568 1 84 ARG QB 1 103 VAL QG . . 1.800 2.014 1.901 2.253 0.453 9 0 "[ . 1]" 1
569 1 84 ARG QD 1 103 VAL QG . . 1.800 3.857 2.690 4.333 2.533 4 10 [***+*-****] 1
570 1 85 SER HA 1 86 GLY H . . 1.800 2.150 2.148 2.152 0.352 7 0 "[ . 1]" 1
571 1 85 SER HA 1 101 ILE H . . 1.800 3.717 3.615 3.962 2.162 9 10 [********+-] 1
572 1 85 SER HA 1 103 VAL H . . 1.800 4.039 3.932 4.187 2.387 5 10 [***-+*****] 1
573 1 85 SER QB 1 86 GLY H . . 1.800 3.619 3.276 3.789 1.989 10 10 [*******-*+] 1
574 1 85 SER QB 1 102 LYS QD . . 1.800 3.901 3.243 4.658 2.858 10 10 [********-+] 1
575 1 86 GLY H 1 87 THR MG . . 1.800 4.800 4.576 5.012 3.212 4 10 [***+***-**] 1
576 1 86 GLY H 1 101 ILE H . . 1.800 2.396 2.297 2.514 0.714 9 9 [****.***+-] 1
577 1 86 GLY H 1 101 ILE MD . . 1.800 3.180 3.028 3.253 1.453 9 10 [***-****+*] 1
578 1 86 GLY H 1 101 ILE MG . . 1.800 4.414 4.323 4.500 2.700 9 10 [***-****+*] 1
579 1 86 GLY H 1 102 LYS HA . . 1.800 4.842 4.637 4.899 3.099 2 10 [*+******-*] 1
580 1 86 GLY QA 1 87 THR H . . 1.800 2.198 2.159 2.272 0.472 3 0 "[ . 1]" 1
581 1 86 GLY QA 1 101 ILE MD . . 1.800 1.949 1.935 1.961 0.161 8 0 "[ . 1]" 1
582 1 87 THR H 1 87 THR MG . . 1.800 2.999 2.568 3.356 1.556 10 10 [*******-*+] 1
583 1 87 THR HA 1 87 THR MG . . 1.800 2.285 2.108 2.416 0.616 9 4 "[- * . *+1]" 1
584 1 87 THR HA 1 88 LEU H . . 1.800 2.171 2.144 2.283 0.483 9 0 "[ . 1]" 1
585 1 87 THR HA 1 100 THR H . . 1.800 5.099 4.947 5.535 3.735 9 10 [**-*****+*] 1
586 1 87 THR HA 1 101 ILE H . . 1.800 4.366 4.241 4.460 2.660 10 10 [**-******+] 1
587 1 87 THR HB 1 88 LEU H . . 1.800 3.249 2.703 3.431 1.631 4 10 [***+****-*] 1
588 1 88 LEU H 1 88 LEU QB . . 1.800 2.221 2.101 2.358 0.558 3 2 "[- + . 1]" 1
589 1 88 LEU H 1 88 LEU QD . . 1.800 2.931 1.979 3.581 1.781 2 9 "[-+ *******]" 1
590 1 88 LEU H 1 88 LEU HG . . 1.800 4.106 3.708 4.461 2.661 9 10 [**-*****+*] 1
591 1 88 LEU H 1 99 THR HA . . 1.800 2.993 2.552 3.700 1.900 9 10 [********+-] 1
592 1 88 LEU H 1 99 THR MG . . 1.800 4.482 3.517 4.936 3.136 9 10 [******-*+*] 1
593 1 88 LEU H 1 100 THR MG . . 1.800 5.027 4.712 5.188 3.388 3 10 [*-+*******] 1
594 1 88 LEU HA 1 88 LEU QD . . 1.800 3.190 1.950 3.402 1.602 1 9 "[+-****** *]" 1
595 1 88 LEU HA 1 89 LYS H . . 1.800 2.216 2.179 2.232 0.432 3 0 "[ . 1]" 1
596 1 88 LEU QB 1 88 LEU QD . . 1.800 1.832 1.714 1.979 0.179 9 0 "[ . 1]" 1
597 1 88 LEU QB 1 99 THR HA . . 1.800 2.877 1.950 3.943 2.143 3 8 "[* +***** -]" 1
598 1 88 LEU MD1 1 88 LEU MD2 . . 1.800 1.978 1.887 2.027 0.227 4 0 "[ . 1]" 1
599 1 88 LEU QD 1 88 LEU HG . . 1.800 1.876 1.857 1.887 0.087 4 0 "[ . 1]" 1
600 1 88 LEU QD 1 89 LYS H . . 1.800 3.322 2.056 3.771 1.971 3 9 "[*-+***** *]" 1
601 1 88 LEU QD 1 89 LYS HA . . 1.800 3.671 3.457 4.205 2.405 3 10 [**+*****-*] 1
602 1 88 LEU QD 1 90 LYS H . . 1.800 3.450 2.379 4.142 2.342 3 10 [**+*****-*] 1
603 1 88 LEU QD 1 91 ALA HA . . 1.800 2.581 1.929 3.622 1.822 9 8 "[ * *****+-]" 1
604 1 88 LEU QD 1 91 ALA MB . . 1.800 2.853 2.571 3.092 1.292 7 10 [*****-+***] 1
605 1 88 LEU QD 1 97 CYS QB . . 1.800 1.850 1.680 2.706 0.906 9 1 "[ . +1]" 1
606 1 88 LEU QD 1 99 THR HA . . 1.800 1.906 1.850 2.114 0.314 2 0 "[ . 1]" 1
607 1 88 LEU QD 1 99 THR HB . . 1.800 3.528 2.910 3.987 2.187 3 10 [**+******-] 1
608 1 88 LEU QD 1 99 THR MG . . 1.800 3.092 2.175 4.072 2.272 2 8 "[*+*** -**]" 1
609 1 88 LEU QD 1 101 ILE QG . . 1.800 4.583 4.312 4.698 2.898 10 10 [********-+] 1
610 1 89 LYS H 1 89 LYS QG . . 1.800 3.646 2.927 4.065 2.265 9 10 [-*******+*] 1
611 1 89 LYS H 1 90 LYS H . . 1.800 2.181 1.924 2.811 1.011 3 2 "[- + . 1]" 1
612 1 89 LYS HA 1 90 LYS H . . 1.800 3.541 3.468 3.568 1.768 10 10 [*-*******+] 1
613 1 89 LYS QB 1 90 LYS H . . 1.800 2.543 2.121 2.964 1.164 2 7 "[-+ ***** 1]" 1
614 1 90 LYS H 1 90 LYS QD . . 1.800 4.168 3.641 4.667 2.867 4 10 [***+***-**] 1
615 1 90 LYS H 1 90 LYS QG . . 1.800 3.650 2.815 4.133 2.333 5 10 [****+***-*] 1
616 1 90 LYS H 1 91 ALA H . . 1.800 4.473 4.322 4.587 2.787 2 10 [*+******-*] 1
617 1 90 LYS HA 1 90 LYS QG . . 1.800 2.415 2.118 3.287 1.487 9 5 "[ * -* *+1]" 1
618 1 90 LYS HA 1 91 ALA H . . 1.800 2.176 2.146 2.293 0.493 9 0 "[ . 1]" 1
619 1 90 LYS HA 1 91 ALA MB . . 1.800 3.931 3.855 3.985 2.185 10 10 [*-*******+] 1
620 1 90 LYS QB 1 90 LYS QG . . 1.800 2.033 2.004 2.064 0.264 9 0 "[ . 1]" 1
621 1 90 LYS QB 1 91 ALA H . . 1.800 3.431 2.799 3.746 1.946 3 10 [*-+*******] 1
622 1 90 LYS QB 1 92 LEU QD . . 1.800 3.161 2.299 3.932 2.132 9 9 [***-****+1] 1
623 1 90 LYS QD 1 90 LYS QE . . 1.800 2.038 2.010 2.075 0.275 10 0 "[ . 1]" 1
624 1 90 LYS QD 1 90 LYS QG . . 1.800 2.055 2.045 2.079 0.279 9 0 "[ . 1]" 1
625 1 90 LYS QD 1 91 ALA H . . 1.800 4.028 2.577 4.984 3.184 9 10 [*-******+*] 1
626 1 90 LYS QD 1 92 LEU QD . . 1.800 2.896 1.993 3.762 1.962 9 7 "[* * ***-+1]" 1
627 1 90 LYS QE 1 90 LYS QG . . 1.800 2.098 1.990 2.380 0.580 5 2 "[ + - 1]" 1
628 1 90 LYS QE 1 91 ALA H . . 1.800 4.838 3.594 5.278 3.478 1 10 [+********-] 1
629 1 90 LYS QE 1 92 LEU QD . . 1.800 2.402 1.859 2.952 1.152 2 5 "[ + ** * -]" 1
630 1 90 LYS QG 1 91 ALA H . . 1.800 3.273 2.752 4.174 2.374 4 10 [***+*-****] 1
631 1 90 LYS QG 1 92 LEU QD . . 1.800 2.583 1.911 3.666 1.866 4 5 "[ * +.- **]" 1
632 1 91 ALA H 1 91 ALA MB . . 1.800 2.304 2.125 2.662 0.862 2 4 "[ + *.* -1]" 1
633 1 91 ALA HA 1 92 LEU H . . 1.800 3.089 2.163 3.572 1.772 10 8 "[** ** **-+]" 1
634 1 91 ALA MB 1 92 LEU H . . 1.800 2.585 1.950 3.691 1.891 2 4 "[ +* .* -1]" 1
635 1 91 ALA MB 1 97 CYS H . . 1.800 2.404 1.867 3.556 1.756 9 5 "[ -* . * +*]" 1
636 1 92 LEU H 1 92 LEU QB . . 1.800 3.127 2.594 3.466 1.666 4 10 [**-+******] 1
637 1 92 LEU H 1 92 LEU QD . . 1.800 2.869 2.324 3.728 1.928 9 10 [-*******+*] 1
638 1 92 LEU H 1 92 LEU HG . . 1.800 2.851 1.980 3.315 1.515 9 9 "[* ***-**+*]" 1
639 1 92 LEU HA 1 92 LEU QD . . 1.800 2.251 2.090 2.429 0.629 6 4 "[ *+ -*]" 1
640 1 92 LEU HA 1 93 PHE H . . 1.800 2.919 2.436 3.567 1.767 6 10 [*****+***-] 1
641 1 92 LEU QB 1 92 LEU QD . . 1.800 1.888 1.811 1.945 0.145 4 0 "[ . 1]" 1
642 1 92 LEU QB 1 93 PHE H . . 1.800 2.030 1.886 2.352 0.552 10 1 "[ . +]" 1
643 1 92 LEU MD1 1 92 LEU MD2 . . 1.800 1.926 1.901 2.021 0.221 4 0 "[ . 1]" 1
644 1 92 LEU QD 1 92 LEU HG . . 1.800 1.863 1.859 1.869 0.069 4 0 "[ . 1]" 1
645 1 92 LEU QD 1 93 PHE H . . 1.800 3.467 3.260 3.634 1.834 4 10 [**-+******] 1
646 1 92 LEU HG 1 93 PHE H . . 1.800 4.487 3.658 4.851 3.051 10 10 [***-*****+] 1
647 1 93 PHE H 1 93 PHE QD . . 1.800 3.952 2.289 4.426 2.626 3 9 "[**+****- *]" 1
648 1 93 PHE HA 1 93 PHE QD . . 1.800 2.481 2.008 3.096 1.296 9 7 "[ ****- +*]" 1
649 1 93 PHE HA 1 94 ASN H . . 1.800 2.570 2.152 3.083 1.283 8 6 "[ * * *+*-]" 1
650 1 94 ASN H 1 95 ALA H . . 1.800 3.806 2.589 4.627 2.827 4 10 [***+****-*] 1
651 1 94 ASN HA 1 94 ASN QD . . 1.800 3.306 2.055 3.920 2.120 5 8 "[- **+*** *]" 1
652 1 94 ASN HA 1 95 ALA H . . 1.800 3.044 2.489 3.552 1.752 2 10 [*+**-*****] 1
653 1 94 ASN QB 1 95 ALA H . . 1.800 2.647 1.871 3.778 1.978 8 5 "[ *- +**]" 1
654 1 95 ALA H 1 95 ALA MB . . 1.800 2.461 2.120 2.927 1.127 9 5 "[- * *+*]" 1
655 1 95 ALA HA 1 96 GLU H . . 1.800 2.912 2.146 3.565 1.765 1 6 "[+ **-* *1]" 1
656 1 95 ALA MB 1 96 GLU H . . 1.800 2.784 2.004 3.623 1.823 10 7 "[ **-.*** +]" 1
657 1 96 GLU HA 1 96 GLU QG . . 1.800 2.885 2.130 3.352 1.552 9 7 "[ ** ***-+1]" 1
658 1 96 GLU HA 1 97 CYS H . . 1.800 2.285 2.140 2.449 0.649 3 3 "[ +-. *]" 1
659 1 96 GLU HA 1 97 CYS QB . . 1.800 4.181 3.993 4.642 2.842 6 10 [***-*+****] 1
660 1 96 GLU QB 1 97 CYS H . . 1.800 2.938 2.285 4.006 2.206 10 9 "[*- ******+]" 1
661 1 96 GLU QG 1 97 CYS H . . 1.800 3.679 2.423 4.225 2.425 9 10 [***-****+*] 1
662 1 97 CYS HA 1 98 GLN H . . 1.800 2.379 2.266 2.438 0.638 3 8 "[*-+***** 1]" 1
663 1 97 CYS HA 1 98 GLN QG . . 1.800 4.316 3.737 5.174 3.374 3 10 [**+****-**] 1
664 1 97 CYS QB 1 98 GLN H . . 1.800 2.621 2.475 2.980 1.180 10 10 [*****-***+] 1
665 1 98 GLN H 1 98 GLN QG . . 1.800 2.387 2.024 3.418 1.618 10 3 "[ *-. +]" 1
666 1 98 GLN HA 1 98 GLN QE . . 1.800 3.847 2.496 5.089 3.289 6 10 [**-**+****] 1
667 1 98 GLN HA 1 98 GLN QG . . 1.800 3.100 2.529 3.357 1.557 4 10 [***+***-**] 1
668 1 98 GLN HA 1 99 THR H . . 1.800 2.151 2.138 2.195 0.395 1 0 "[ . 1]" 1
669 1 98 GLN HA 1 99 THR MG . . 1.800 4.016 3.420 4.597 2.797 7 10 [******+*-*] 1
670 1 98 GLN QB 1 98 GLN QE . . 1.800 3.189 2.367 3.712 1.912 9 10 [*-******+*] 1
671 1 98 GLN QB 1 98 GLN QG . . 1.800 1.993 1.930 2.040 0.240 6 0 "[ . 1]" 1
672 1 98 GLN QB 1 99 THR H . . 1.800 3.248 2.954 3.438 1.638 10 10 [-********+] 1
673 1 98 GLN QB 1 101 ILE MG . . 1.800 3.957 3.513 4.279 2.479 4 10 [***+***-**] 1
674 1 98 GLN QG 1 101 ILE MG . . 1.800 3.872 2.653 4.796 2.996 3 10 [**+***-***] 1
675 1 99 THR H 1 99 THR MG . . 1.800 2.493 1.939 3.237 1.437 3 4 "[- + .** 1]" 1
676 1 99 THR H 1 100 THR H . . 1.800 2.594 2.565 2.653 0.853 2 10 [-+********] 1
677 1 99 THR HA 1 100 THR H . . 1.800 3.305 3.183 3.388 1.588 2 10 [*+-*******] 1
678 1 99 THR HB 1 100 THR H . . 1.800 4.166 3.787 4.363 2.563 10 10 [******-**+] 1
679 1 99 THR MG 1 100 THR H . . 1.800 3.623 2.372 4.454 2.654 3 10 [*-+*******] 1
680 1 100 THR H 1 100 THR MG . . 1.800 3.931 3.852 4.025 2.225 1 10 [+**-******] 1
681 1 100 THR H 1 101 ILE MG . . 1.800 5.103 4.967 5.247 3.447 2 10 [*+******-*] 1
682 1 100 THR HA 1 100 THR MG . . 1.800 2.036 1.966 2.149 0.349 8 0 "[ . 1]" 1
683 1 100 THR HA 1 101 ILE H . . 1.800 2.209 2.165 2.273 0.473 1 0 "[ . 1]" 1
684 1 100 THR HA 1 101 ILE MG . . 1.800 4.901 4.717 5.015 3.215 10 10 [********-+] 1
685 1 100 THR HB 1 101 ILE H . . 1.800 3.497 3.262 3.730 1.930 9 10 [**-*****+*] 1
686 1 100 THR MG 1 101 ILE H . . 1.800 2.703 2.161 3.083 1.283 10 9 "[-******* +]" 1
687 1 101 ILE H 1 101 ILE MD . . 1.800 3.657 3.646 3.686 1.886 3 10 [**+*-*****] 1
688 1 101 ILE H 1 101 ILE QG . . 1.800 1.920 1.897 1.954 0.154 3 0 "[ . 1]" 1
689 1 101 ILE H 1 101 ILE MG . . 1.800 3.719 3.650 3.754 1.954 3 10 [**+*****-*] 1
690 1 101 ILE HA 1 101 ILE MD . . 1.800 4.050 4.024 4.085 2.285 9 10 [**-*****+*] 1
691 1 101 ILE HA 1 101 ILE MG . . 1.800 1.898 1.893 1.911 0.111 9 0 "[ . 1]" 1
692 1 101 ILE HA 1 102 LYS H . . 1.800 2.208 2.197 2.227 0.427 10 0 "[ . 1]" 1
693 1 101 ILE HB 1 101 ILE MD . . 1.800 2.438 2.374 2.479 0.679 10 10 [********-+] 1
694 1 101 ILE HB 1 102 LYS H . . 1.800 3.313 3.251 3.349 1.549 2 10 [*+******-*] 1
695 1 101 ILE MD 1 101 ILE QG . . 1.800 1.860 1.854 1.877 0.077 10 0 "[ . 1]" 1
696 1 101 ILE MD 1 101 ILE MG . . 1.800 2.000 1.907 2.118 0.318 9 0 "[ . 1]" 1
697 1 101 ILE MD 1 102 LYS H . . 1.800 5.045 5.008 5.071 3.271 6 10 [*****+***-] 1
698 1 101 ILE MD 1 103 VAL QG . . 1.800 3.512 3.474 3.557 1.757 6 10 [*****+-***] 1
699 1 101 ILE QG 1 101 ILE MG . . 1.800 2.297 2.261 2.321 0.521 3 4 "[* +-.* 1]" 1
700 1 101 ILE QG 1 102 LYS H . . 1.800 4.515 4.498 4.528 2.728 6 10 [*****+***-] 1
701 1 101 ILE QG 1 103 VAL QG . . 1.800 4.242 4.198 4.277 2.477 10 10 [******-**+] 1
702 1 101 ILE MG 1 102 LYS H . . 1.800 2.842 2.730 2.959 1.159 9 10 [********+-] 1
703 1 101 ILE MG 1 103 VAL QG . . 1.800 2.801 2.695 3.012 1.212 9 10 [**-*****+*] 1
704 1 102 LYS H 1 102 LYS QD . . 1.800 4.424 4.074 4.657 2.857 2 10 [-+********] 1
705 1 102 LYS H 1 102 LYS QG . . 1.800 3.407 2.861 4.216 2.416 6 10 [*****+***-] 1
706 1 102 LYS H 1 103 VAL QG . . 1.800 3.662 3.610 3.717 1.917 6 10 [*****+-***] 1
707 1 102 LYS HA 1 102 LYS QG . . 1.800 2.571 2.387 2.854 1.054 1 10 [+******-**] 1
708 1 102 LYS HA 1 103 VAL H . . 1.800 2.247 2.234 2.260 0.460 7 0 "[ . 1]" 1
709 1 102 LYS HA 1 103 VAL QG . . 1.800 3.540 3.504 3.575 1.775 9 10 [*-******+*] 1
710 1 102 LYS QB 1 103 VAL H . . 1.800 3.827 3.726 4.016 2.216 5 10 [****+****-] 1
711 1 102 LYS QG 1 103 VAL H . . 1.800 4.307 3.525 4.788 2.988 1 10 [+***-*****] 1
712 1 103 VAL H 1 103 VAL QG . . 1.800 1.916 1.855 2.008 0.208 9 0 "[ . 1]" 1
713 1 103 VAL HA 1 103 VAL QG . . 1.800 2.083 2.055 2.113 0.313 7 0 "[ . 1]" 1
714 1 103 VAL HA 1 104 SER H . . 1.800 2.348 2.285 2.384 0.584 5 9 "[-***+*** *]" 1
715 1 103 VAL HB 1 103 VAL QG . . 1.800 1.879 1.877 1.881 0.081 1 0 "[ . 1]" 1
716 1 103 VAL HB 1 104 SER H . . 1.800 2.522 2.425 2.695 0.895 9 10 [****-***+*] 1
717 1 103 VAL HB 1 104 SER QB . . 1.800 5.130 5.082 5.167 3.367 9 10 [****-***+*] 1
718 1 103 VAL MG1 1 103 VAL MG2 . . 1.800 2.054 2.011 2.068 0.268 1 0 "[ . 1]" 1
719 1 103 VAL QG 1 104 SER H . . 1.800 3.217 3.174 3.291 1.491 9 10 [*-******+*] 1
720 1 104 SER HA 1 105 LYS H . . 1.800 2.268 2.201 2.401 0.601 2 2 "[ + -. 1]" 1
721 1 104 SER QB 1 105 LYS H . . 1.800 2.818 2.578 2.981 1.181 10 10 [*-*******+] 1
722 1 105 LYS H 1 105 LYS QG . . 1.800 3.981 3.559 4.241 2.441 2 10 [*+*-******] 1
723 1 105 LYS HA 1 106 PRO QD . . 1.800 1.907 1.862 1.989 0.189 7 0 "[ . 1]" 1
724 1 105 LYS QB 1 105 LYS QE . . 1.800 3.290 2.602 3.713 1.913 3 10 [-*+*******] 1
725 1 105 LYS QB 1 105 LYS QG . . 1.800 2.062 2.027 2.096 0.296 6 0 "[ . 1]" 1
726 1 105 LYS QB 1 106 PRO QD . . 1.800 3.203 2.750 3.572 1.772 5 10 [-***+*****] 1
727 1 105 LYS QD 1 105 LYS QG . . 1.800 2.072 2.034 2.100 0.300 8 0 "[ . 1]" 1
728 1 106 PRO HA 1 107 CYS H . . 1.800 2.171 2.150 2.246 0.446 2 0 "[ . 1]" 1
729 1 106 PRO QB 1 107 CYS H . . 1.800 3.378 2.948 3.754 1.954 2 10 [*+****-***] 1
730 1 106 PRO QD 1 106 PRO QG . . 1.800 1.970 1.969 1.971 0.171 6 0 "[ . 1]" 1
731 1 108 THR H 1 108 THR MG . . 1.800 2.716 1.923 3.838 2.038 6 7 "[* **.+* -*]" 1
732 1 108 THR HA 1 109 PRO QD . . 1.800 2.021 1.936 2.035 0.235 3 0 "[ . 1]" 1
733 1 108 THR HB 1 109 PRO QD . . 1.800 2.570 2.103 3.578 1.778 6 6 "[- * *+** 1]" 1
734 1 108 THR MG 1 109 PRO QD . . 1.800 2.919 1.906 3.732 1.932 8 8 "[** ** -+**]" 1
735 1 112 PRO HA 1 113 LYS N . . 1.800 2.592 2.477 2.744 0.944 7 10 [**-***+***] 1
736 1 112 PRO QB 1 113 LYS N . . 1.800 2.996 2.421 3.539 1.739 5 10 [****+*-***] 1
737 1 113 LYS QG 1 113 LYS N . . 1.800 2.952 2.416 3.665 1.865 5 10 [****+-****] 1
738 1 116 GLY QA 1 117 GLY H . . 1.800 2.270 2.118 2.752 0.952 1 1 "[+ . 1]" 1
739 1 117 GLY QA 1 118 GLU H . . 1.800 2.339 2.135 2.719 0.919 5 3 "[ * +- 1]" 1
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