Open imerelli opened 11 months ago
thuxugang
commented
11 months ago It looks like the secondary structure file fails to be generated, please run the following scritpt "/opt/tools/deg/opus_mut/Mut/mkdssp/mkdssp CXCR4_Y256M.bb" and check the reason.
imerelli
commented
11 months ago mkdssp seems ok. I don't see errors in that part. I'm attachint all the *.bb files and the bb_list file (also the original pdb file) to this post. I would be very grateful if you can test opus_mut with them. test_opus_mut.tgz
thuxugang
commented
11 months ago Your files work fine with me. Can you use only one .bb file, such as "CXCR4_Y256M.bb", and send me the generated files in tmp_files? You should take a look at .ss file, it may not be generated properly through this script "/opt/tools/deg/opus_mut/Mut/mkdssp/mkdssp CXCR4_Y256M.bb".
imerelli
commented
11 months ago Ok, now I get the issue. The problem is that the prodived verion of mkdssp is not working because of this error:
mkdssp: error while loading shared libraries: libboost_date_time-mt.so.1.53.0: cannot open shared object file: No such file or directory
But I don't have the chance to install that library, it is not even in conda anymore. And If I to use the new version of dssp from conda (I made a link in order to make it work):
$ conda install -c salilab dssp
...
$ ls -la
total 8504
drwxrwxrwx. 2 imerelli bioinformatics 114 Dec 24 10:47 .
drwxrwxrwx. 7 imerelli bioinformatics 383 Dec 22 19:02 ..
-rwxrwxrwx. 1 imerelli bioinformatics 3033 Oct 31 2021 dssp.cpp
lrwxr-x---. 1 imerelli bioinformatics 45 Dec 24 10:47 mkdssp -> /opt/tools/deg/miniforge3/envs/mut/bin/mkdssp
-rwxrwxrwx. 1 imerelli bioinformatics 7028944 Oct 31 2021 mkdssp_old
-rwxrwxrwx. 1 imerelli bioinformatics 167942 Oct 31 2021 xssp-3.0.10.tar.gz
$ /opt/tools/deg/opus_mut/Mut/mkdssp/mkdssp --version
mkdssp version 3.0.0
If you use DSSP, please cite:
Touw WG, Baakman C, Black J, te Beek TA, Krieger E, Joosten RP & Vriend G.
A series of PDB-related databanks for everyday needs.
Nucleic Acids Res. (2015) 43, D364-D368. doi: 10.1093/nar/gku1028.
The original DSSP reference is:
Kabsch W & Sander C.
Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features.
Biopolymers (1983) 22, 2577-2637. doi: 10.1002/bip.360221211.The only files that I see in the tmp_files directory are .pp and .fasta. Here the output of using this new version:
$ /opt/tools/deg/opus_mut/Mut/mkdssp/mkdssp CXCR4_Y256M.bb
==== Secondary Structure Definition by the program DSSP, CMBI version 2.0 ==== DATE=2023-12-24 .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
.
COMPND .
SOURCE .
AUTHOR .
352 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
19807.7 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
279 79.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
7 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES .
28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
25 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
209 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
9 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES .
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** .
1 0 0 0 1 2 0 0 1 0 0 2 0 0 0 0 2 1 0 0 0 0 1 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX .
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER .
0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER .
1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET .
# RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA CHAIN
1 1 A M 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.6 29.0 0.9 -11.0
2 2 A E + 0 0 87 2,-0.1 3,-0.1 0, 0.0 0, 0.0 0.889 360.0 49.5 47.7 122.6 28.8 -1.1 -14.3
3 3 A G + 0 0 80 1,-0.0 2,-0.6 0, 0.0 0, 0.0 0.640 11.6 141.2-165.5 147.4 27.6 -1.3 -17.2
4 4 A I - 0 0 84 2,-0.0 2,-0.9 0, 0.0 -2,-0.1 -0.903 42.6-147.2 -83.7 119.6 26.8 0.1 -20.6
5 5 A S + 0 0 85 -2,-0.6 2,-0.7 -3,-0.1 0, 0.0 -0.868 21.7 175.9 -93.4 101.6 27.5 -2.8 -23.0
6 6 A I - 0 0 78 -2,-0.9 2,-0.6 2,-0.0 -2,-0.0 -0.961 24.5-142.8 -95.9 112.3 28.7 -1.3 -26.3
7 7 A Y - 0 0 82 -2,-0.7 2,-0.3 1,-0.0 -2,-0.0 -0.727 14.9-133.9 -76.2 119.7 29.6 -4.2 -28.5
8 8 A T - 0 0 79 -2,-0.6 2,-0.8 1,-0.1 -1,-0.0 -0.580 14.4-123.7 -68.2 131.2 32.7 -3.4 -30.6
9 9 A S - 0 0 90 -2,-0.3 2,-0.5 2,-0.0 -1,-0.1 -0.757 28.2-173.5 -76.4 105.8 32.6 -4.2 -34.3
10 10 A D - 0 0 77 -2,-0.8 2,-0.7 2,-0.1 -2,-0.0 -0.935 22.3-131.4-102.0 128.0 35.6 -6.5 -35.2
11 11 A N + 0 0 92 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.709 35.9 161.3 -83.5 106.4 35.8 -7.1 -38.9
12 12 A Y - 0 0 76 -2,-0.7 2,-0.1 0, 0.0 -2,-0.1 -0.958 28.5-136.2-132.6 119.0 36.2 -10.8 -40.0
13 13 A T - 0 0 84 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.367 42.3 -7.7 -59.9 139.1 35.4 -11.8 -43.6
14 14 A E + 0 0 86 -2,-0.1 2,-0.1 1,-0.0 -1,-0.1 0.903 42.0 130.2 58.5 102.8 33.6 -14.7 -45.1
15 15 A E - 0 0 79 2,-0.0 2,-0.5 0, 0.0 -1,-0.0 -0.537 41.9-135.3-158.5 127.6 32.0 -17.9 -44.7
16 16 A M + 0 0 94 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.522 32.3 162.0 -66.3 116.1 28.4 -18.5 -46.1
17 17 A G - 0 0 71 -2,-0.5 2,-0.8 2,-0.1 -2,-0.0 -0.889 31.8-143.2-138.0 105.4 26.1 -20.3 -43.7
18 18 A S + 0 0 97 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.584 33.6 167.9 -61.8 100.3 22.3 -20.1 -44.4
19 19 A G - 0 0 68 -2,-0.8 -2,-0.1 0, 0.0 0, 0.0 -0.992 42.9 -91.4-124.2 132.6 20.8 -19.9 -40.8
20 20 A D - 0 0 82 -2,-0.4 2,-1.5 1,-0.1 -2,-0.0 -0.121 21.2-148.6 -44.3 116.4 17.1 -19.0 -40.1
21 21 A Y + 0 0 89 2,-0.0 2,-0.7 3,-0.0 3,-0.3 -0.363 47.6 147.0 -76.8 52.5 16.4 -15.2 -39.6
22 22 A D - 0 0 75 -2,-1.5 -2,-0.0 1,-0.2 0, 0.0 -0.878 58.4 -1.7 -96.5 114.5 13.6 -16.2 -37.2
23 23 A S + 0 0 79 -2,-0.7 2,-1.1 1,-0.2 -1,-0.2 0.903 48.9 163.2 76.3 61.3 13.1 -13.7 -34.4
24 24 A M - 0 0 82 -3,-0.3 2,-0.4 3,-0.0 -1,-0.2 -0.863 41.5-142.9 -79.5 96.9 15.3 -10.7 -34.0
25 25 A K - 0 0 75 -2,-1.1 248,-0.0 1,-0.1 3,-0.0 -0.581 16.8-118.5 -59.1 119.9 12.7 -9.0 -31.6
26 26 A E - 0 0 74 -2,-0.4 2,-0.5 1,-0.1 248,-0.1 -0.439 35.1-104.2 -57.5 129.8 12.7 -5.3 -32.5
27 27 A P - 0 0 84 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.516 33.3-135.5 -64.6 114.9 13.9 -3.4 -29.3
28 28 A C - 0 0 69 -2,-0.5 2,-0.4 2,-0.0 -3,-0.0 -0.626 18.5-160.8 -73.1 106.7 10.7 -1.9 -27.8
29 29 A F - 0 0 72 -2,-0.9 2,-1.7 1,-0.1 249,-0.1 -0.745 29.0-111.0 -82.9 137.0 11.5 1.7 -26.8
30 30 A R - 0 0 85 -2,-0.4 2,-1.4 1,-0.1 -1,-0.1 -0.539 32.4-161.6 -70.1 87.6 9.1 3.2 -24.3
31 31 A E - 0 0 69 -2,-1.7 2,-0.6 2,-0.0 -1,-0.1 -0.632 12.1-144.8 -68.7 95.7 7.4 5.8 -26.5
32 32 A E - 0 0 68 -2,-1.4 2,-2.8 1,-0.1 3,-0.3 -0.578 8.4-142.5 -53.9 116.3 5.9 8.0 -23.9
33 33 A N >> + 0 0 69 -2,-0.6 4,-1.8 1,-0.2 3,-0.9 -0.466 44.4 171.8 -70.6 59.3 2.6 9.1 -25.5
34 34 A A H 3> + 0 0 48 -2,-2.8 4,-3.0 1,-0.3 -1,-0.2 0.812 55.7 59.2 -63.5 -38.0 4.0 12.0 -23.5
35 35 A N H 34 S+ 0 0 74 -3,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.868 111.5 40.0 -61.2 -41.6 1.5 14.7 -24.7
36 36 A F H X> S+ 0 0 57 -3,-0.9 4,-3.1 2,-0.2 3,-1.1 0.965 119.9 42.8 -73.8 -50.0 -1.6 12.9 -23.4
37 37 A N H 3X S+ 0 0 48 -4,-1.8 4,-1.8 1,-0.3 -2,-0.2 0.895 108.5 59.4 -67.0 -37.3 -0.1 11.6 -20.1
38 38 A K H 3< S+ 0 0 40 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.623 119.0 31.3 -64.0 -17.0 1.7 15.0 -19.3
39 39 A I H <> S+ 0 0 50 -3,-1.1 4,-1.4 -4,-0.4 -2,-0.2 0.772 122.3 46.2-102.6 -47.5 -1.8 16.7 -19.4
40 40 A F H X S+ 0 0 50 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.954 110.7 48.5 -65.8 -54.2 -4.1 13.9 -18.1
41 41 A L H X S+ 0 0 50 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.932 113.5 43.7 -58.9 -54.5 -2.2 12.6 -15.1
42 42 A P H > S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.845 113.4 54.4 -63.7 -30.7 -1.4 16.0 -13.4
43 43 A T H X S+ 0 0 51 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.961 112.9 41.6 -63.1 -50.1 -5.0 17.1 -14.0
44 44 A I H X S+ 0 0 48 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.944 115.6 50.1 -63.2 -46.8 -6.4 13.9 -12.3
45 45 A Y H X S+ 0 0 33 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.900 111.1 49.6 -59.5 -41.0 -3.8 14.2 -9.5
46 46 A S H X S+ 0 0 51 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.898 111.5 48.7 -65.6 -40.9 -4.7 17.9 -8.9
47 47 A I H X S+ 0 0 51 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.968 114.7 44.1 -60.9 -52.4 -8.4 17.1 -8.8
48 48 A I H X S+ 0 0 44 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.863 111.9 55.1 -65.5 -36.5 -7.9 14.2 -6.3
49 49 A F H X S+ 0 0 28 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.979 113.5 39.8 -54.5 -58.3 -5.5 16.4 -4.3
50 50 A L H X S+ 0 0 56 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.931 122.4 39.9 -63.2 -48.6 -8.1 19.2 -3.9
51 51 A T H X S+ 0 0 51 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.873 117.6 50.0 -70.3 -35.6 -11.1 17.0 -3.3
52 52 A G H X>S+ 0 0 17 -4,-2.5 4,-2.5 -5,-0.3 5,-0.5 0.915 110.5 47.7 -70.9 -44.8 -9.2 14.5 -1.1
53 53 A I H X5S+ 0 0 49 -4,-2.7 4,-1.9 -5,-0.3 5,-0.3 0.950 119.1 40.6 -60.1 -51.0 -7.6 17.2 1.2
54 54 A V H X5S+ 0 0 54 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.952 120.6 43.1 -64.1 -50.7 -11.0 18.9 1.8
55 55 A G H X5S+ 0 0 32 -4,-2.5 4,-1.9 -5,-0.2 -3,-0.2 0.954 120.9 36.8 -64.4 -55.0 -13.1 15.7 2.0
56 56 A N H X5S+ 0 0 24 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.889 115.5 55.6 -71.9 -34.8 -10.8 13.6 4.3
57 57 A G H X<S+ 0 0 49 -4,-1.9 4,-2.7 -5,-0.5 -1,-0.2 0.936 108.7 48.5 -58.3 -45.8 -9.7 16.7 6.3
58 58 A L H X S+ 0 0 48 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.903 110.7 50.7 -61.6 -42.4 -13.5 17.4 7.1
59 59 A V H X S+ 0 0 51 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.953 112.7 46.0 -60.3 -48.5 -14.1 13.7 8.1
60 60 A I H X S+ 0 0 48 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.923 115.3 47.1 -60.6 -46.5 -11.0 13.8 10.5
61 61 A L H X S+ 0 0 51 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.962 113.6 46.4 -60.5 -53.5 -12.2 17.2 12.0
62 62 A V H X S+ 0 0 36 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.920 116.8 44.2 -59.4 -44.9 -15.8 16.1 12.4
63 63 A M H < S+ 0 0 52 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.829 110.0 57.0 -69.0 -31.7 -14.9 12.8 14.0
64 64 A G H < S+ 0 0 64 -4,-2.2 3,-0.5 -5,-0.2 -2,-0.2 0.834 111.8 42.0 -66.4 -34.2 -12.2 14.6 16.1
65 65 A Y H < S+ 0 0 72 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.858 112.9 53.8 -77.7 -36.3 -15.0 16.9 17.6
66 66 A Q >< + 0 0 39 -4,-2.1 3,-1.7 -5,-0.2 4,-0.5 0.002 66.9 140.2 -90.1 32.7 -17.5 14.0 18.0
67 67 A K G > S+ 0 0 64 -3,-0.5 3,-0.6 1,-0.3 -1,-0.2 0.763 70.0 48.1 -49.8 -39.6 -15.2 11.8 20.1
68 68 A K G 3 S+ 0 0 90 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.665 112.9 45.8 -75.8 -23.1 -17.9 10.6 22.5
69 69 A L G < S+ 0 0 75 -3,-1.7 2,-0.3 -6,-0.1 -1,-0.2 0.218 77.1 134.7-110.6 10.8 -20.6 9.6 19.9
70 70 A R < - 0 0 59 -3,-0.6 2,-0.1 -4,-0.5 -3,-0.0 -0.473 45.8-143.2 -68.4 124.2 -18.5 7.7 17.3
71 71 A S > - 0 0 49 -2,-0.3 4,-1.5 1,-0.1 3,-0.1 -0.320 31.0-104.4 -68.9 164.4 -20.0 4.4 16.1
72 72 A M H > S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.908 125.1 53.8 -59.3 -37.4 -17.6 1.5 15.4
73 73 A T H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 103.4 55.9 -65.8 -35.0 -17.9 2.2 11.7
74 74 A D H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.847 103.3 55.8 -66.4 -32.1 -16.9 5.8 12.3
75 75 A K H X S+ 0 0 51 -4,-1.5 4,-1.7 -3,-0.2 -2,-0.2 0.950 109.8 44.5 -63.8 -47.1 -13.7 4.6 13.9
76 76 A Y H X S+ 0 0 51 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.908 111.7 52.5 -63.8 -41.3 -12.7 2.6 10.8
77 77 A R H X S+ 0 0 51 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.816 104.9 56.5 -68.4 -27.0 -13.6 5.4 8.5
78 78 A L H X S+ 0 0 43 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.937 108.6 46.7 -62.3 -48.2 -11.3 7.7 10.6
79 79 A H H X S+ 0 0 55 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.903 112.9 50.8 -58.1 -40.8 -8.4 5.3 9.9
80 80 A L H X S+ 0 0 39 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.949 109.2 48.6 -65.4 -46.9 -9.4 5.3 6.2
81 81 A S H X S+ 0 0 31 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.788 110.8 52.7 -63.9 -28.6 -9.5 9.1 6.0
82 82 A V H X S+ 0 0 49 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.924 112.2 44.4 -69.2 -44.7 -6.0 9.2 7.7
83 83 A A H X S+ 0 0 38 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.927 116.6 46.6 -62.5 -46.1 -4.6 6.7 5.1
84 84 A D H X S+ 0 0 34 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.929 113.5 48.3 -61.6 -46.9 -6.3 8.6 2.2
85 85 A L H X S+ 0 0 36 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.903 108.1 54.7 -63.7 -41.2 -5.1 12.0 3.5
86 86 A L H < S+ 0 0 61 -4,-2.3 -1,-0.2 2,-0.2 4,-0.2 0.864 116.0 38.8 -60.3 -38.3 -1.5 10.7 4.0
87 87 A F H >X S+ 0 0 34 -4,-1.7 3,-2.2 2,-0.2 4,-0.7 0.936 111.3 56.6 -75.6 -46.5 -1.5 9.6 0.3
88 88 A V H >< S+ 0 0 33 -4,-3.0 3,-1.2 1,-0.3 -2,-0.2 0.857 98.6 61.5 -58.4 -37.1 -3.4 12.6 -1.1
89 89 A I T 3< S+ 0 0 74 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.676 102.2 54.4 -62.2 -17.1 -0.7 15.0 0.4
90 90 A T T X> S+ 0 0 43 -3,-2.2 3,-1.8 -4,-0.2 4,-1.1 0.671 80.9 90.9 -88.9 -17.8 1.9 13.3 -1.9
91 91 A L H <X S+ 0 0 29 -3,-1.2 4,-2.2 -4,-0.7 5,-0.2 0.761 76.1 64.7 -53.9 -31.7 -0.1 13.8 -5.2
92 92 A P H 3> S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.867 101.3 51.8 -58.4 -34.2 1.7 17.2 -5.9
93 93 A F H <> S+ 0 0 56 -3,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.948 110.3 47.7 -65.8 -45.3 5.0 15.2 -6.2
94 94 A W H X S+ 0 0 57 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.834 110.3 53.1 -62.8 -36.0 3.4 12.8 -8.7
95 95 A A H X S+ 0 0 25 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.910 111.9 43.8 -67.4 -42.2 1.9 15.8 -10.7
96 96 A V H X>S+ 0 0 42 -4,-1.9 4,-2.5 2,-0.2 5,-0.8 0.919 114.2 50.8 -68.0 -42.5 5.4 17.5 -11.0
97 97 A D H <5S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.918 110.4 49.6 -59.5 -43.7 7.0 14.1 -11.9
98 98 A A H <5S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.781 118.9 37.0 -67.3 -31.6 4.4 13.5 -14.6
99 99 A V H <5S- 0 0 60 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.829 136.8 -15.4 -87.6 -38.9 4.8 17.0 -16.2
100 100 A A T <5S- 0 0 69 -4,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.621 100.2 -40.3-133.7 -80.8 8.5 17.6 -15.9
101 101 A N < - 0 0 39 -5,-0.8 2,-1.3 82,-0.1 -1,-0.2 -0.988 51.4 -90.6-164.1 157.7 11.1 15.8 -13.7
102 102 A W + 0 0 50 82,-1.8 3,-0.4 -2,-0.3 7,-0.1 -0.650 48.6 161.1 -82.5 92.1 11.8 14.3 -10.3
103 103 A Y + 0 0 85 -2,-1.3 -1,-0.2 1,-0.2 -10,-0.0 0.479 53.6 81.2 -85.7 -4.7 13.3 17.3 -8.4
104 104 A F S > S- 0 0 68 1,-0.2 4,-0.8 -11,-0.1 -1,-0.2 0.404 87.9-129.8 -97.5 2.1 12.8 15.9 -4.9
105 105 A G H > - 0 0 53 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.070 38.4 -58.8 71.4 177.6 15.8 13.6 -4.5
106 106 A N H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.826 126.2 57.3 -69.0 -34.0 16.1 10.0 -3.4
107 107 A F H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.954 109.9 43.2 -64.3 -49.7 14.6 10.3 0.1
108 108 A L H X S+ 0 0 50 -4,-0.8 4,-2.7 2,-0.2 5,-0.2 0.850 109.0 60.5 -66.6 -29.4 11.2 11.7 -1.1
109 109 A C H X S+ 0 0 36 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.956 110.8 39.6 -60.9 -48.2 11.3 9.1 -3.9
110 110 A K H X S+ 0 0 18 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.903 114.7 55.0 -63.3 -42.4 11.3 6.3 -1.3
111 111 A A H X S+ 0 0 47 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.901 106.9 47.5 -63.9 -43.8 8.8 8.2 0.9
112 112 A V H X S+ 0 0 51 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.902 114.3 48.1 -66.8 -36.9 6.1 8.7 -1.8
113 113 A H H X S+ 0 0 46 -4,-1.5 4,-2.7 -5,-0.2 5,-0.2 0.934 112.2 48.5 -67.3 -44.8 6.3 5.0 -2.7
114 114 A V H X S+ 0 0 31 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.935 113.6 47.6 -58.2 -46.2 6.1 3.9 1.0
115 115 A I H X S+ 0 0 36 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.902 111.3 51.3 -64.1 -41.2 3.1 6.2 1.4
116 116 A Y H X S+ 0 0 46 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.966 113.1 44.2 -56.7 -53.1 1.5 4.8 -1.8
117 117 A T H X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.898 113.0 51.7 -65.1 -40.2 1.9 1.1 -0.6
118 118 A V H X S+ 0 0 29 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.926 112.8 46.0 -58.6 -46.9 0.7 2.0 2.9
119 119 A N H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.952 112.5 49.5 -63.9 -47.7 -2.4 3.7 1.5
120 120 A L H X S+ 0 0 51 -4,-2.7 4,-1.5 1,-0.2 5,-0.2 0.940 120.3 34.9 -57.4 -52.3 -3.2 0.8 -1.0
121 121 A Y H X S+ 0 0 34 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.922 119.3 48.2 -73.5 -44.0 -2.9 -2.0 1.7
122 122 A S H X S+ 0 0 31 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.915 110.0 52.9 -65.9 -39.0 -4.3 -0.1 4.7
123 123 A S H X S+ 0 0 44 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.956 114.0 40.1 -62.2 -51.2 -7.4 1.2 2.8
124 124 A V H X S+ 0 0 45 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.897 114.9 52.3 -68.2 -38.2 -8.5 -2.3 1.5
125 125 A L H X S+ 0 0 38 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.907 107.0 53.6 -66.0 -36.6 -7.7 -4.0 4.8
126 126 A I H X S+ 0 0 45 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.909 106.7 52.6 -61.5 -39.5 -9.8 -1.4 6.6
127 127 A L H X S+ 0 0 52 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.902 108.7 49.8 -63.1 -38.2 -12.7 -2.3 4.2
128 128 A A H X S+ 0 0 25 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.939 111.2 49.0 -63.1 -43.0 -12.2 -6.0 5.2
129 129 A F H X S+ 0 0 52 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.881 108.8 52.4 -65.1 -37.7 -12.3 -4.9 8.9
130 130 A I H X S+ 0 0 52 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.918 110.3 49.6 -59.9 -42.6 -15.5 -2.9 8.3
131 131 A S H X S+ 0 0 31 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.924 110.8 48.5 -65.5 -42.2 -17.0 -6.1 6.7
132 132 A L H X S+ 0 0 50 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.902 110.0 52.2 -62.7 -42.0 -16.0 -8.2 9.8
133 133 A D H X S+ 0 0 45 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.905 111.3 47.3 -61.4 -40.6 -17.5 -5.5 12.1
134 134 A R H X S+ 0 0 51 -4,-2.2 4,-1.5 2,-0.2 5,-0.3 0.919 111.1 51.7 -65.2 -43.1 -20.8 -5.8 10.1
135 135 A Y H >X>S+ 0 0 31 -4,-2.6 4,-2.9 1,-0.2 3,-0.7 0.964 113.1 44.2 -56.1 -53.2 -20.6 -9.6 10.2
136 136 A L H 3X5S+ 0 0 34 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.885 113.0 51.9 -60.2 -41.8 -20.2 -9.5 14.1
137 137 A A H 3<5S+ 0 0 56 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.755 122.1 29.8 -66.6 -28.5 -23.0 -6.8 14.4
138 138 A I H <<5S+ 0 0 65 -4,-1.5 3,-0.5 -3,-0.7 -2,-0.2 0.864 128.6 34.0 -99.3 -48.4 -25.5 -8.9 12.4
139 139 A V H <5S+ 0 0 77 -4,-2.9 3,-0.2 -5,-0.3 -3,-0.2 0.913 130.6 31.3 -80.0 -43.3 -24.6 -12.6 13.0
140 140 A H S >X<S+ 0 0 39 -4,-0.8 3,-0.9 -5,-0.7 4,-0.8 -0.213 76.4 147.4-107.3 37.1 -23.4 -12.3 16.6
141 141 A A T 34 + 0 0 52 -3,-0.5 3,-0.4 1,-0.2 4,-0.2 0.749 64.7 56.3 -53.1 -33.7 -25.7 -9.5 17.6
142 142 A T T 34 S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.2 3,-0.2 0.897 124.7 19.1 -65.6 -42.3 -26.1 -10.6 21.3
143 143 A N T <4 S+ 0 0 69 -3,-0.9 3,-0.3 1,-0.1 -1,-0.2 0.099 93.0 108.8-118.4 18.0 -22.4 -10.7 22.2
144 144 A S X + 0 0 23 -4,-0.8 4,-2.3 -3,-0.4 5,-0.3 0.700 57.4 77.8 -73.6 -21.6 -20.9 -8.4 19.5
145 145 A Q H > S+ 0 0 65 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 95.5 43.5 -65.3 -46.3 -20.0 -5.3 21.5
146 146 A R H > S+ 0 0 64 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.947 117.7 42.7 -63.4 -54.1 -16.8 -6.6 23.2
147 147 A P H > S+ 0 0 59 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.904 115.1 51.0 -64.7 -37.4 -15.2 -8.3 20.0
148 148 A R H X S+ 0 0 45 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.899 111.5 47.6 -64.5 -40.5 -16.2 -5.3 17.8
149 149 A K H X S+ 0 0 48 -4,-2.0 4,-1.8 -5,-0.3 5,-0.3 0.930 113.1 48.4 -63.3 -45.8 -14.6 -2.8 20.3
150 150 A L H X>S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 5,-2.0 0.913 112.5 48.9 -59.3 -45.0 -11.4 -5.0 20.4
151 151 A L I <>S+ 0 0 42 -4,-2.7 5,-1.8 1,-0.2 -2,-0.2 0.931 117.0 40.8 -60.2 -47.3 -11.3 -5.2 16.6
152 152 A A I <5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.666 124.3 34.9 -78.1 -24.5 -11.7 -1.4 16.2
153 153 A E I <5S+ 0 0 75 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.619 135.8 6.3-107.6 -20.3 -9.4 -0.2 19.0
154 154 A K I >X5S+ 0 0 49 -4,-2.1 3,-1.1 -5,-0.3 4,-1.1 0.639 120.9 53.8-128.3 -53.6 -6.6 -2.8 19.1
155 155 A V I 3><S+ 0 0 43 -5,-2.0 4,-2.8 1,-0.3 5,-0.3 0.834 97.7 67.6 -67.1 -31.4 -6.6 -5.4 16.3
156 156 A V H 3>XS+ 0 0 47 -5,-1.8 5,-1.5 -6,-0.3 4,-1.1 0.835 101.3 49.4 -55.9 -33.0 -6.7 -2.7 13.5
157 157 A Y I <4>S+ 0 0 49 -3,-1.1 5,-2.7 3,-0.2 -1,-0.2 0.956 120.1 33.5 -72.7 -47.1 -3.2 -1.6 14.5
158 158 A V I <5S+ 0 0 69 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.726 126.2 42.1 -80.1 -24.8 -1.6 -5.1 14.4
159 159 A G I <5S+ 0 0 71 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.474 132.9 12.6-103.4 -8.1 -3.8 -6.5 11.6
160 160 A V I X5S+ 0 0 23 -4,-1.1 4,-2.4 -5,-0.3 -3,-0.2 0.551 126.6 39.6-128.0 -61.7 -3.8 -3.4 9.2
161 161 A W I ><S+ 0 0 51 -5,-1.5 4,-2.2 2,-0.2 5,-0.2 0.914 116.6 45.7 -69.2 -47.3 -1.2 -0.7 10.0
162 162 A I H ><S+ 0 0 48 -5,-2.7 4,-2.6 2,-0.2 5,-0.2 0.959 116.9 44.8 -62.2 -51.2 1.8 -2.9 11.1
163 163 A P H > S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.918 112.6 52.1 -58.1 -43.6 1.4 -5.3 8.0
164 164 A A H < S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 4,-0.2 0.894 113.7 43.8 -60.1 -40.8 0.9 -2.4 5.6
165 165 A L H >< S+ 0 0 56 -4,-2.2 3,-1.1 2,-0.2 -1,-0.2 0.865 112.9 50.9 -70.5 -40.0 4.2 -0.7 6.9
166 166 A L H >< S+ 0 0 61 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.893 104.2 58.6 -65.8 -36.9 6.1 -4.0 6.9
167 167 A L T 3< S+ 0 0 69 -4,-2.4 4,-0.3 1,-0.3 -1,-0.2 0.536 94.1 67.4 -72.1 -4.8 5.0 -4.7 3.3
168 168 A T T <> + 0 0 21 -3,-1.1 4,-2.5 -4,-0.2 -1,-0.3 0.388 69.9 95.8 -91.3 -1.4 6.7 -1.3 2.2
169 169 A I H <> S+ 0 0 51 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.922 83.5 51.9 -54.9 -43.4 10.2 -2.7 2.9
170 170 A P H > S+ 0 0 61 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.937 109.1 49.3 -58.1 -46.6 10.6 -3.6 -0.8
171 171 A D H > S+ 0 0 35 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.924 110.0 51.8 -57.7 -43.5 9.5 -0.0 -1.9
172 172 A F H < S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.1 0.858 117.3 38.9 -62.2 -35.3 12.1 1.4 0.6
173 173 A I H < S+ 0 0 70 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.959 125.7 32.4 -76.5 -53.7 14.9 -0.8 -0.9
174 174 A F H < S+ 0 0 30 -4,-3.0 15,-2.4 -5,-0.2 2,-0.5 0.713 90.9 96.7 -89.7 -23.3 14.1 -0.7 -4.6
175 175 A A E < +A 188 0A 24 -4,-2.4 2,-0.3 -5,-0.4 13,-0.3 -0.558 54.4 145.6 -69.4 115.3 12.6 2.8 -5.1
176 176 A N E -A 187 0A 36 11,-2.6 11,-1.9 -2,-0.5 2,-0.5 -0.888 50.5-104.4-140.9 171.3 15.5 5.0 -6.3
177 177 A V E +A 186 0A 66 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.925 38.1 179.8-100.4 126.5 16.2 8.0 -8.6
178 178 A S E -A 185 0A 45 7,-2.4 7,-3.1 -2,-0.5 2,-0.4 -0.912 27.1-123.8-119.9 151.7 17.9 7.2 -12.0
179 179 A E E +A 184 0A 82 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.831 42.1 153.8 -90.8 128.9 18.9 9.5 -14.9
180 180 A A E > -A 183 0A 54 3,-2.6 3,-1.9 -2,-0.4 -2,-0.0 -0.934 62.7 -3.4-153.0 137.8 17.4 8.6 -18.3
181 181 A D T 3 S- 0 0 94 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.865 127.8 -53.7 47.3 50.4 16.6 10.8 -21.4
182 182 A D T 3 S+ 0 0 98 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.649 121.9 96.3 58.9 19.9 17.7 14.1 -19.8
183 183 A R E < S-A 180 0A 32 -3,-1.9 -3,-2.6 -82,-0.0 2,-0.5 -0.967 74.9-122.0-132.8 152.8 15.3 13.5 -16.8
184 184 A Y E -A 179 0A 41 -2,-0.3 -82,-1.8 -5,-0.2 2,-0.5 -0.839 30.6-160.1 -87.3 124.4 15.4 12.1 -13.3
185 185 A I E -A 178 0A 44 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.7 -0.933 8.7-153.9-108.9 126.4 13.0 9.2 -12.9
186 186 A C E +A 177 0A 66 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.905 44.5 124.8 -97.4 108.2 11.7 8.1 -9.5
187 187 A D E -A 176 0A 47 -11,-1.9 -11,-2.6 -2,-0.7 2,-0.8 -0.901 66.4 -81.4-150.8 175.4 10.8 4.4 -9.8
188 188 A R E -A 175 0A 71 -13,-0.3 2,-0.6 -2,-0.3 -13,-0.3 -0.810 40.7-160.5 -86.6 110.4 11.3 0.8 -8.5
189 189 A F - 0 0 62 -15,-2.4 -12,-0.0 -2,-0.8 -2,-0.0 -0.833 11.8-171.9 -95.7 116.3 14.5 -0.6 -10.0
190 190 A Y - 0 0 63 -2,-0.6 3,-0.1 1,-0.1 6,-0.0 -0.757 34.1-118.9-107.5 155.4 14.7 -4.4 -9.7
191 191 A P S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.734 92.6 -11.9 -62.5 -28.5 17.6 -6.8 -10.5
192 192 A N S >> S- 0 0 49 1,-0.0 3,-1.2 0, 0.0 4,-0.7 -0.961 77.8 -90.5-163.6 169.4 15.5 -8.6 -13.2
193 193 A D H 3> S+ 0 0 71 -2,-0.3 4,-2.0 1,-0.3 3,-0.2 0.743 114.2 70.6 -64.1 -24.0 11.9 -8.9 -14.6
194 194 A L H 3> S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.891 95.4 54.4 -61.4 -36.9 11.0 -11.8 -12.3
195 195 A W H <> S+ 0 0 55 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.877 104.4 54.7 -64.1 -35.9 11.0 -9.3 -9.4
196 196 A V H X S+ 0 0 54 -4,-0.7 4,-2.8 2,-0.2 5,-0.2 0.970 111.5 44.1 -58.7 -51.8 8.5 -7.1 -11.2
197 197 A V H X S+ 0 0 45 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.904 112.6 52.5 -60.8 -43.9 6.2 -10.1 -11.6
198 198 A V H X S+ 0 0 52 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.928 114.5 41.2 -59.6 -47.2 6.7 -11.2 -7.9
199 199 A F H X S+ 0 0 52 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.884 113.8 52.2 -73.9 -35.5 5.9 -7.7 -6.6
200 200 A Q H X S+ 0 0 52 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.949 111.3 48.6 -60.7 -44.6 2.9 -7.2 -9.0
201 201 A F H X S+ 0 0 51 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.911 110.5 50.8 -62.0 -41.2 1.6 -10.6 -7.8
202 202 A Q H X S+ 0 0 48 -4,-2.2 4,-2.9 2,-0.2 5,-0.4 0.932 109.6 50.8 -58.7 -46.3 2.1 -9.5 -4.1
203 203 A H H X S+ 0 0 46 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.905 112.8 45.7 -60.6 -41.9 0.1 -6.2 -4.9
204 204 A I H X>S+ 0 0 44 -4,-2.4 5,-2.2 3,-0.2 4,-2.0 0.928 115.5 47.2 -65.7 -44.8 -2.8 -8.3 -6.5
205 205 A M I <>S+ 0 0 39 -4,-2.7 5,-2.8 3,-0.2 -2,-0.2 0.946 124.3 29.5 -64.1 -48.9 -2.8 -10.8 -3.6
206 206 A V I <5S+ 0 0 59 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.849 126.1 44.7 -81.9 -35.9 -2.7 -8.2 -0.7
207 207 A G I <5S- 0 0 54 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.761 135.1 -0.2 -80.6 -27.2 -4.6 -5.3 -2.6
208 208 A L I X5S+ 0 0 43 -4,-2.0 4,-1.9 -5,-0.3 -3,-0.2 0.711 123.7 46.0-127.3 -60.6 -7.4 -7.4 -4.2
209 209 A I I ><S+ 0 0 51 -5,-2.2 4,-2.8 2,-0.2 5,-0.2 0.951 111.3 41.9 -72.2 -55.6 -7.6 -11.2 -3.5
210 210 A L H ><S+ 0 0 57 -5,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.942 122.6 38.9 -63.0 -49.5 -7.0 -11.7 0.3
211 211 A P H > S+ 0 0 35 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.897 114.8 56.7 -65.1 -37.2 -9.2 -8.7 1.4
212 212 A G H X S+ 0 0 43 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.929 106.0 49.0 -57.8 -46.9 -11.7 -9.6 -1.4
213 213 A I H X S+ 0 0 53 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.920 113.3 47.1 -59.3 -46.4 -12.2 -13.2 -0.0
214 214 A V H X S+ 0 0 51 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.935 115.5 45.8 -61.5 -47.0 -12.7 -11.9 3.6
215 215 A I H X S+ 0 0 33 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.962 115.0 45.7 -60.0 -55.0 -15.2 -9.2 2.3
216 216 A L H X S+ 0 0 51 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.911 112.9 50.6 -59.4 -44.3 -17.1 -11.7 0.1
217 217 A S H X S+ 0 0 54 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.927 111.7 48.5 -59.8 -45.3 -17.3 -14.4 2.8
218 218 A C H X S+ 0 0 30 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.937 114.7 44.1 -59.9 -49.5 -18.6 -11.8 5.3
219 219 A Y H X S+ 0 0 48 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.873 108.0 58.1 -70.0 -34.5 -21.3 -10.5 2.9
220 220 A C H X S+ 0 0 54 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.955 113.4 39.9 -55.9 -48.4 -22.4 -14.0 1.8
221 221 A I H X S+ 0 0 52 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.913 115.7 51.6 -67.8 -43.3 -23.1 -14.9 5.5
222 222 A I H X S+ 0 0 46 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 111.7 45.8 -60.9 -47.3 -24.7 -11.4 6.2
223 223 A I H X S+ 0 0 54 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.942 111.4 53.4 -62.3 -45.1 -27.1 -11.6 3.2
224 224 A S H < S+ 0 0 66 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.813 114.1 42.0 -60.1 -33.6 -28.0 -15.2 4.1
225 225 A K H >< S+ 0 0 57 -4,-1.8 3,-0.7 1,-0.1 -1,-0.2 0.802 110.7 55.5 -82.7 -32.2 -28.9 -14.1 7.7
226 226 A L H >< S+ 0 0 46 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.734 87.9 75.9 -77.5 -22.3 -30.7 -10.9 6.7
227 227 A S T 3< S+ 0 0 76 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.841 101.8 44.8 -51.6 -31.2 -33.2 -12.7 4.3
228 228 A H T < S+ 0 0 78 -3,-0.7 2,-0.4 -4,-0.3 -1,-0.3 0.414 103.7 83.9 -91.6 -2.2 -34.9 -13.8 7.6
229 229 A S < - 0 0 53 -3,-1.8 -4,-0.0 1,-0.1 -3,-0.0 -0.891 53.5-162.4-120.2 138.2 -34.8 -10.3 9.3
230 230 A K + 0 0 86 -2,-0.4 2,-0.9 4,-0.0 -1,-0.1 0.246 44.8 137.2 -91.8 10.5 -37.1 -7.1 9.2
231 231 A G > - 0 0 56 1,-0.2 4,-1.8 -5,-0.1 3,-0.1 -0.463 32.1-172.4 -72.5 102.8 -34.5 -4.7 10.6
232 232 A H H > S+ 0 0 64 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.904 84.2 49.8 -59.3 -46.8 -34.6 -1.4 8.6
233 233 A Q H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 109.2 52.8 -64.0 -36.4 -31.5 0.3 10.2
234 234 A K H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 109.3 49.6 -64.4 -42.0 -29.4 -2.8 9.7
235 235 A R H X S+ 0 0 51 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.890 109.9 51.1 -63.6 -41.1 -30.4 -2.8 5.9
236 236 A K H X S+ 0 0 52 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.943 111.6 46.3 -62.3 -48.0 -29.4 0.9 5.6
237 237 A A H X S+ 0 0 56 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.898 113.6 50.0 -61.7 -40.9 -26.0 0.4 7.2
238 238 A L H X S+ 0 0 49 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.924 107.5 53.4 -60.5 -47.9 -25.4 -2.7 5.0
239 239 A K H X S+ 0 0 52 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.913 109.0 50.0 -55.7 -44.9 -26.4 -0.7 1.8
240 240 A T H X S+ 0 0 54 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.879 113.1 44.9 -61.8 -41.8 -23.8 1.9 2.7
241 241 A T H X S+ 0 0 54 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.897 113.0 50.2 -74.9 -36.4 -21.0 -0.6 3.3
242 242 A V H X S+ 0 0 54 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.930 111.0 49.7 -63.0 -45.8 -21.8 -2.6 0.1
243 243 A I H X S+ 0 0 52 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.921 111.0 49.8 -59.5 -45.4 -21.8 0.6 -2.0
244 244 A L H X S+ 0 0 53 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.907 114.2 44.9 -58.1 -45.0 -18.4 1.6 -0.5
245 245 A I H X S+ 0 0 50 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.918 113.7 47.6 -69.5 -46.6 -16.9 -1.8 -1.3
246 246 A L H X S+ 0 0 53 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.911 113.8 48.8 -62.2 -42.1 -18.3 -2.1 -4.9
247 247 A A H X S+ 0 0 51 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.916 110.7 51.1 -64.1 -42.2 -17.1 1.5 -5.6
248 248 A F H X S+ 0 0 43 -4,-2.3 4,-1.7 2,-0.2 3,-0.2 0.952 114.4 42.0 -59.5 -51.3 -13.6 0.7 -4.2
249 249 A F H X S+ 0 0 49 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.865 111.2 56.4 -68.3 -33.3 -13.2 -2.5 -6.3
250 250 A A H < S+ 0 0 63 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.858 108.1 49.2 -63.9 -34.9 -14.7 -0.7 -9.4
251 251 A C H < S+ 0 0 29 -4,-1.9 4,-0.4 -3,-0.2 -2,-0.2 0.897 120.2 35.2 -66.5 -42.6 -12.0 2.0 -9.1
252 252 A W H X S+ 0 0 41 -4,-1.7 4,-2.3 1,-0.2 3,-0.4 0.732 97.3 80.3 -88.4 -25.6 -9.1 -0.5 -8.8
253 253 A L H X S+ 0 0 46 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.873 90.3 52.4 -55.7 -44.9 -10.2 -3.4 -11.1
254 254 A P H > S+ 0 0 58 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.892 112.1 47.5 -59.7 -37.9 -9.1 -1.7 -14.4
255 255 A Y H > S+ 0 0 24 -3,-0.4 4,-2.5 -4,-0.4 5,-0.3 0.938 110.0 51.1 -66.7 -46.2 -5.6 -1.2 -13.0
256 256 A M H X S+ 0 0 56 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.844 110.0 50.8 -62.6 -33.3 -5.4 -4.8 -11.7
257 257 A I H X S+ 0 0 52 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.940 109.7 51.4 -64.7 -46.8 -6.4 -6.0 -15.2
258 258 A G H X S+ 0 0 33 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.945 112.1 43.7 -56.4 -53.4 -3.6 -3.8 -16.8
259 259 A I H X S+ 0 0 56 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.823 111.2 55.9 -65.6 -29.6 -0.8 -5.1 -14.5
260 260 A S H X S+ 0 0 51 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.915 109.1 46.4 -67.3 -39.9 -2.1 -8.7 -15.0
261 261 A I H X S+ 0 0 51 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.931 112.5 50.5 -64.8 -44.6 -1.7 -8.2 -18.8
262 262 A D H X S+ 0 0 51 -4,-2.4 4,-2.6 1,-0.2 3,-0.5 0.947 109.5 50.7 -58.6 -46.3 1.8 -6.7 -18.3
263 263 A S H X S+ 0 0 42 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.855 108.3 53.0 -57.4 -37.7 2.7 -9.7 -16.1
264 264 A F H <>S+ 0 0 31 -4,-1.7 5,-1.8 2,-0.2 6,-1.8 0.814 109.2 48.7 -70.9 -29.6 1.5 -12.0 -18.9
265 265 A I H ><5S+ 0 0 42 -4,-1.6 3,-1.9 -3,-0.5 -2,-0.2 0.953 112.6 47.9 -68.8 -49.6 3.7 -10.2 -21.4
266 266 A L H 3<5S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.808 111.6 50.2 -62.2 -33.8 6.8 -10.5 -19.0
267 267 A L T 3<5S- 0 0 67 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.289 112.9-121.1 -83.6 6.5 6.0 -14.2 -18.4
268 268 A E T < 5S+ 0 0 61 -3,-1.9 -3,-0.2 2,-0.2 3,-0.1 0.646 79.4 124.7 55.9 21.3 5.9 -14.7 -22.3
269 269 A I S <S+ 0 0 76 -5,-1.8 2,-0.5 1,-0.2 -4,-0.2 0.860 78.3 37.4 -70.6 -37.2 2.3 -16.0 -21.9
270 270 A I S S- 0 0 45 -6,-1.8 2,-0.6 -9,-0.1 -1,-0.2 -0.983 75.5-163.8-116.7 121.5 1.2 -13.3 -24.4
271 271 A K + 0 0 88 -2,-0.5 2,-0.3 -3,-0.1 -6,-0.1 -0.938 29.1 145.7-107.3 108.9 3.6 -12.6 -27.3
272 272 A Q - 0 0 77 -2,-0.6 2,-0.1 -7,-0.0 -2,-0.0 -0.861 46.0 -93.1-135.0 167.5 2.8 -9.2 -29.0
273 273 A G >> - 0 0 56 -2,-0.3 4,-1.4 1,-0.1 3,-1.3 -0.340 45.5 -93.3 -79.0 170.1 4.6 -6.3 -30.7
274 274 A C H 3> S+ 0 0 56 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.759 120.4 64.1 -56.7 -31.5 5.8 -3.1 -29.1
275 275 A E H 3> S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.895 104.4 47.2 -60.8 -38.8 2.6 -1.2 -30.0
276 276 A F H <> S+ 0 0 56 -3,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.943 112.9 48.0 -68.4 -45.8 0.6 -3.5 -27.7
277 277 A E H X S+ 0 0 53 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.953 112.6 48.2 -60.3 -48.6 3.1 -3.2 -24.8
278 278 A N H X S+ 0 0 50 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.869 112.3 50.6 -60.2 -37.4 3.1 0.7 -25.2
279 279 A T H X S+ 0 0 49 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.936 110.6 48.7 -65.5 -45.4 -0.7 0.6 -25.2
280 280 A V H X S+ 0 0 47 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.951 112.1 48.4 -59.8 -49.2 -0.8 -1.6 -22.1
281 281 A H H X S+ 0 0 54 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.903 110.8 51.1 -61.0 -41.8 1.6 0.7 -20.2
282 282 A K H X S+ 0 0 53 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.922 112.0 46.8 -58.4 -47.1 -0.4 3.9 -21.2
283 283 A W H X S+ 0 0 47 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.857 107.3 57.1 -68.2 -33.6 -3.6 2.2 -19.9
284 284 A I H X S+ 0 0 29 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.965 109.3 45.9 -58.6 -49.5 -1.9 1.2 -16.7
285 285 A S H X S+ 0 0 56 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.899 115.9 45.9 -60.6 -42.3 -1.0 4.9 -16.0
286 286 A I H X S+ 0 0 53 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.940 115.6 45.0 -64.5 -49.4 -4.6 6.0 -16.9
287 287 A T H X S+ 0 0 26 -4,-3.0 4,-1.8 2,-0.2 -32,-0.4 0.859 112.3 52.5 -69.3 -33.2 -6.3 3.3 -14.8
288 288 A E H X S+ 0 0 46 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.956 109.5 48.3 -62.8 -50.3 -4.0 3.9 -11.8
289 289 A A H < S+ 0 0 57 -4,-2.1 4,-0.3 1,-0.2 3,-0.2 0.889 113.6 48.1 -59.8 -38.2 -4.7 7.7 -11.8
290 290 A L H >< S+ 0 0 51 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.841 103.1 62.1 -69.6 -32.1 -8.5 6.8 -12.0
291 291 A A H >< S+ 0 0 24 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.839 89.1 70.9 -64.2 -29.0 -8.1 4.3 -9.2
292 292 A F T >< S+ 0 0 54 -4,-1.4 3,-1.6 1,-0.3 4,-0.3 0.696 74.8 82.5 -64.2 -15.1 -7.0 7.2 -6.8
293 293 A F T X> S+ 0 0 52 -3,-1.4 3,-1.7 1,-0.3 4,-0.6 0.736 71.9 80.4 -60.0 -16.5 -10.6 8.4 -6.9
294 294 A H H X> S+ 0 0 48 -3,-2.1 3,-1.2 1,-0.3 4,-0.6 0.876 81.7 62.9 -55.1 -34.9 -11.1 5.8 -4.2
295 295 A C H <4 S+ 0 0 52 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.690 103.4 49.3 -63.4 -20.4 -9.6 8.4 -1.7
296 296 A C H <> S+ 0 0 44 -3,-1.7 4,-1.6 -4,-0.3 -1,-0.3 0.586 91.4 79.5 -94.4 -12.4 -12.7 10.6 -2.5
297 297 A L H <X S+ 0 0 46 -3,-1.2 4,-2.8 -4,-0.6 5,-0.2 0.881 86.6 57.0 -66.7 -38.8 -15.4 7.9 -2.0
298 298 A N H X S+ 0 0 61 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.947 109.8 41.6 -63.5 -51.6 -15.4 8.1 1.9
299 299 A P H > S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.916 115.8 51.9 -60.2 -41.9 -16.2 11.9 2.1
300 300 A I H X S+ 0 0 51 -4,-1.6 4,-2.3 1,-0.2 5,-0.3 0.958 109.9 47.8 -58.8 -51.3 -18.8 11.5 -0.7
301 301 A L H X S+ 0 0 51 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.852 112.4 50.6 -63.6 -32.9 -20.6 8.6 1.0
302 302 A Y H X S+ 0 0 39 -4,-2.0 4,-1.6 -5,-0.2 7,-0.3 0.935 110.6 48.4 -64.8 -47.0 -20.6 10.6 4.3
303 303 A A H < S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 122.0 33.8 -62.1 -39.7 -22.1 13.7 2.7
304 304 A F H < S+ 0 0 74 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.809 126.1 34.9 -91.1 -32.6 -24.9 11.7 0.9
305 305 A L H < S+ 0 0 72 -4,-2.2 2,-0.8 -5,-0.3 -3,-0.2 0.667 104.5 72.7-100.8 -16.6 -25.7 8.8 3.3
306 306 A G >X + 0 0 28 -4,-1.6 3,-1.6 -5,-0.3 4,-1.0 -0.711 44.5 173.2-103.7 87.1 -25.3 10.6 6.7
307 307 A A H 3> S+ 0 0 77 -2,-0.8 4,-0.9 1,-0.3 3,-0.3 0.873 88.9 58.2 -54.1 -31.3 -28.1 13.1 7.4
308 308 A K H 3> S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.757 94.6 65.3 -66.2 -27.2 -26.3 13.4 10.8
309 309 A F H <> S+ 0 0 44 -3,-1.6 4,-3.1 -7,-0.3 5,-0.2 0.904 95.7 54.9 -68.6 -39.2 -23.1 14.4 9.1
310 310 A K H X S+ 0 0 60 -4,-1.0 4,-2.4 -3,-0.3 5,-0.2 0.950 113.1 41.3 -59.3 -50.4 -24.5 17.8 7.8
311 311 A T H X S+ 0 0 61 -4,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.914 117.2 50.1 -61.6 -42.6 -25.6 18.9 11.3
312 312 A S H X S+ 0 0 45 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.894 110.9 47.9 -63.4 -43.1 -22.3 17.6 12.7
313 313 A A H X S+ 0 0 43 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.914 110.9 51.1 -67.4 -43.0 -20.1 19.4 10.1
314 314 A Q H X S+ 0 0 52 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.931 112.9 46.1 -59.9 -45.3 -22.0 22.7 10.7
315 315 A H H X S+ 0 0 53 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.907 114.5 48.0 -64.0 -41.1 -21.5 22.3 14.5
316 316 A A H X S+ 0 0 42 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.974 114.4 45.0 -62.9 -51.8 -17.8 21.4 13.9
317 317 A L H X S+ 0 0 55 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.890 115.7 46.9 -61.6 -42.0 -17.1 24.4 11.5
318 318 A T H X S+ 0 0 51 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.880 112.5 50.0 -69.0 -36.4 -19.0 26.9 13.7
319 319 A S H X S+ 0 0 50 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.886 110.2 50.1 -69.7 -36.3 -17.1 25.6 16.9
320 320 A V H X S+ 0 0 53 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.948 111.8 49.0 -62.0 -47.8 -13.8 26.0 15.0
321 321 A S H X S+ 0 0 52 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.941 114.3 44.6 -58.4 -47.1 -14.8 29.6 14.0
322 322 A R H X S+ 0 0 51 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.868 111.4 53.0 -66.0 -38.6 -15.8 30.4 17.7
323 323 A G H X S+ 0 0 55 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.851 110.6 48.0 -65.9 -33.8 -12.6 28.8 19.1
324 324 A S H X S+ 0 0 55 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.911 112.5 48.7 -70.9 -41.0 -10.5 30.9 16.8
325 325 A S H X S+ 0 0 52 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.890 109.3 52.1 -66.8 -38.2 -12.5 34.1 17.8
326 326 A L H X S+ 0 0 51 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.849 106.6 53.4 -69.0 -32.3 -12.1 33.4 21.6
327 327 A K H < S+ 0 0 61 -4,-1.3 4,-0.5 2,-0.2 -1,-0.2 0.793 110.7 47.6 -71.6 -26.3 -8.3 33.0 21.2
328 328 A I H < S+ 0 0 59 -4,-1.1 3,-0.5 -3,-0.2 4,-0.4 0.892 114.4 45.9 -78.7 -38.6 -8.1 36.4 19.5
329 329 A L H >< S+ 0 0 56 -4,-2.2 3,-0.9 1,-0.2 4,-0.2 0.838 105.8 59.6 -73.2 -32.5 -10.3 38.1 22.2
330 330 A S T 3< S+ 0 0 66 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.728 102.1 53.9 -70.6 -21.4 -8.4 36.5 25.2
331 331 A K T 3 S+ 0 0 72 -4,-0.5 3,-0.3 -3,-0.5 -1,-0.2 0.595 103.9 57.2 -85.8 -10.5 -5.1 38.1 24.2
332 332 A G S < S+ 0 0 73 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.360 90.6 69.4-100.5 0.8 -6.6 41.7 24.1
333 333 A K + 0 0 70 -3,-0.4 2,-0.9 -4,-0.2 -1,-0.2 0.210 63.4 99.7-115.7 15.1 -8.0 42.1 27.7
334 334 A R S S+ 0 0 86 -3,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.759 70.8 67.4 -97.5 82.5 -4.9 42.3 30.0
335 335 A G + 0 0 79 -2,-0.9 -1,-0.1 1,-0.1 0, 0.0 -0.260 61.7 77.5 166.8 110.1 -4.7 46.1 30.5
336 336 A G - 0 0 82 -2,-0.1 -1,-0.1 2,-0.0 0, 0.0 0.540 65.6 -66.5 137.1 88.7 -6.9 48.6 32.4
337 337 A H - 0 0 84 1,-0.2 2,-0.4 0, 0.0 -2,-0.0 0.886 15.1-151.3 55.9 110.2 -7.6 49.7 35.9
338 338 A S + 0 0 90 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.906 21.5 179.1 -90.9 128.9 -9.0 48.6 39.3
339 339 A S - 0 0 81 -2,-0.4 0, 0.0 2,-0.0 0, 0.0 -0.848 16.3-142.1-141.2 106.7 -10.5 51.4 41.4
340 340 A V + 0 0 89 -2,-0.3 2,-0.2 0, 0.0 -2,-0.0 0.143 23.9 169.5 -14.2 141.5 -12.1 50.7 44.8
341 341 A S - 0 0 89 2,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.533 18.2-165.2-169.3 143.5 -15.0 51.9 46.8
342 342 A T + 0 0 86 -2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.153 14.1 155.1-101.7 179.3 -16.3 50.3 50.0
343 343 A E + 0 0 91 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.428 23.6 19.9 108.2 134.5 -19.3 50.1 52.6
344 344 A S - 0 0 79 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.740 24.1-137.4-169.5 149.7 -20.8 48.4 54.8
345 345 A E + 0 0 90 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.556 17.6 125.2 24.3 127.2 -22.1 45.9 57.5
346 346 A S - 0 0 83 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.137 18.6-151.6 169.2 158.7 -24.1 43.8 59.2
347 347 A S + 0 0 87 -2,-0.0 2,-0.1 2,-0.0 0, 0.0 -0.143 17.9 150.2 -61.7 151.6 -24.8 40.4 60.7
348 348 A S - 0 0 83 -2,-0.0 2,-0.2 2,-0.0 0, 0.0 -0.233 15.4-166.3-176.1 135.9 -27.0 37.8 61.7
349 349 A F + 0 0 88 -2,-0.1 2,-0.2 2,-0.0 -2,-0.0 -0.569 13.1 161.0 -70.1 145.4 -26.8 34.0 62.1
350 350 A H - 0 0 85 -2,-0.2 -2,-0.0 2,-0.1 2,-0.0 -0.608 25.6-134.1-163.8 142.5 -29.3 31.3 62.6
351 351 A S 0 0 87 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.106 360.0 360.0 -68.2 155.7 -29.0 27.5 62.0
352 352 A S 0 0 133 -2,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.829 360.0 360.0-145.0 360.0 -30.5 24.5 60.5Maybe you can provide a static linked executable of the old version of mkdssp or maybe adjusting the parsing for the new version. At least this is my guess.
thuxugang
commented
11 months ago The "xssp-3.0.10.tar.gz" file in opus_mut\Mut\mkdssp is the original version of mkdssp. You can replace the src/dssp.cpp in it with our provided "opus_mut\Mut\mkdssp\dssp.cpp" file and recomplie it.
Hi, I have this problem running opus_mut. The test works fine, but with my protein I have this problem. Can you help me?