DSSP OUTPUT
==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1 ==== DATE=2019-06-21 .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
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COMPND .
SOURCE .
AUTHOR .
729 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
34516.5 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
403 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
45 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
108 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
3 0.4 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 .
73 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
40 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
88 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
9 1.2 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 *** .
0 0 0 2 2 2 0 1 1 0 2 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
4 2 4 0 2 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 .
8 6 3 3 4 2 1 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 .
3 2 2 2 1 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 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 AUTHCHAIN
1 1 A 0 0 63 0, 0.0 2,-0.4 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 158.8 8.6 -26.5 -23.2
2 2 V + 0 0 7 172,-0.6 9,-0.3 135,-0.1 2,-0.2 -0.934 360.0 157.3-122.7 150.0 5.3 -28.0 -22.1
3 3 G B -A 10 0A 17 7,-2.4 7,-3.9 -2,-0.4 173,-0.1 -0.666 31.7-108.2-148.0-162.6 4.8 -31.4 -20.6
4 4 L - 0 0 47 5,-0.3 5,-0.2 -2,-0.2 2,-0.1 -0.947 21.9-179.4-154.4 125.6 2.4 -33.2 -18.4
5 5 P - 0 0 36 0, 0.0 203,-0.1 0, 0.0 5,-0.0 -0.359 53.2 -90.2 -98.0-171.1 2.3 -34.5 -14.9
6 6 N S S+ 0 0 100 1,-0.2 203,-0.4 -2,-0.1 3,-0.1 0.797 125.1 52.6 -68.5 -32.5 -0.5 -36.3 -13.2
7 7 V S S- 0 0 25 1,-0.2 2,-0.3 201,-0.1 202,-0.3 0.894 119.5 -51.1 -73.1 -46.3 -1.9 -32.9 -12.1
8 8 G S S- 0 0 1 200,-0.1 -1,-0.2 8,-0.1 2,-0.2 -0.966 71.7 -48.5-173.9-176.2 -2.1 -30.9 -15.3
9 9 N E - B 0 15A 11 6,-0.6 6,-1.7 -2,-0.3 2,-0.8 -0.533 51.2-138.2 -73.0 144.8 -0.5 -29.7 -18.5
10 10 H E +AB 3 14A 56 -7,-3.9 -7,-2.4 4,-0.2 4,-0.2 -0.839 34.5 160.3-113.8 98.6 2.9 -28.3 -17.7
11 11 F S S- 0 0 26 2,-2.1 -8,-0.2 -2,-0.8 3,-0.1 0.350 83.2 -47.0 -82.6-139.7 3.4 -25.2 -19.7
12 12 E S S+ 0 0 162 1,-0.1 2,-0.3 -10,-0.1 -2,-0.0 0.919 141.7 10.3 -59.3 -36.1 6.1 -23.0 -18.3
13 13 N S S- 0 0 86 -4,-0.0 -2,-2.1 0, 0.0 2,-0.2 -0.842 102.5 -81.0-132.5 168.9 4.1 -23.8 -15.1
14 14 W E -B 10 0A 106 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.512 57.3-174.0 -69.4 138.3 1.4 -26.1 -14.2
15 15 N E -B 9 0A 50 -6,-1.7 2,-0.9 -2,-0.2 -6,-0.6 -0.993 35.0-137.9-141.3 145.4 -1.9 -24.6 -15.3
16 16 V - 0 0 9 -2,-0.4 2,-0.4 -8,-0.1 231,-0.2 -0.884 40.9-153.8 -93.8 109.3 -5.6 -25.3 -15.0
17 17 G E -c 247 0B 8 229,-1.1 231,-1.3 -2,-0.9 2,-0.5 -0.705 15.9-157.3 -99.6 138.3 -6.5 -24.5 -18.5
18 18 V E -c 248 0B 20 -2,-0.4 27,-2.5 229,-0.2 26,-1.7 -0.923 23.6-176.5-106.3 130.5 -9.8 -23.3 -19.7
19 19 L E -cd 249 45B 1 229,-2.8 231,-0.6 -2,-0.5 27,-0.2 -0.721 14.8-170.9-126.1 169.4 -10.4 -23.9 -23.4
20 20 G E - d 0 46B 0 25,-0.6 27,-3.3 229,-0.2 2,-0.2 -0.926 23.8-117.2-161.5 135.0 -13.0 -23.3 -26.0
21 21 P E + d 0 47B 10 0, 0.0 231,-0.6 0, 0.0 2,-0.3 -0.560 28.9 170.1 -76.4 144.1 -13.6 -24.4 -29.5
22 22 V - 0 0 13 25,-2.9 2,-0.6 -2,-0.2 232,-0.1 -0.959 22.6-147.4-146.3 123.9 -13.6 -22.1 -32.5
23 23 T > - 0 0 32 230,-0.7 3,-0.6 -2,-0.3 4,-0.4 -0.867 7.5-148.1 -99.8 128.9 -13.6 -23.5 -36.0
24 24 L G > S+ 0 0 40 -2,-0.6 3,-1.3 25,-0.3 -1,-0.2 0.907 97.4 47.2 -61.3 -44.2 -11.8 -21.3 -38.3
25 25 S G 3 S+ 0 0 59 1,-0.3 233,-0.3 -3,-0.1 -1,-0.3 0.722 98.3 71.5 -70.5 -22.4 -13.9 -22.1 -41.3
26 26 S G < S+ 0 0 13 -3,-0.6 230,-1.8 231,-0.1 -1,-0.3 0.603 111.8 21.9 -71.6 -13.5 -17.1 -21.7 -39.3
27 27 L S < S- 0 0 20 -3,-1.3 2,-0.3 -4,-0.4 231,-0.1 -0.781 91.3 -97.5-137.9-173.6 -16.4 -17.9 -39.3
28 28 N > - 0 0 55 -2,-0.2 3,-1.2 1,-0.1 -3,-0.1 -0.795 33.6-107.4-111.4 155.8 -14.5 -15.5 -41.4
29 29 G T 3 S+ 0 0 46 -2,-0.3 -1,-0.1 1,-0.2 600,-0.1 -0.349 104.0 60.9 -66.7 163.2 -11.1 -14.1 -40.8
30 30 G T 3 S+ 0 0 64 1,-0.0 2,-0.7 -3,-0.0 3,-0.3 0.302 76.2 101.9 99.2 -14.8 -11.4 -10.5 -39.9
31 31 T X> + 0 0 21 -3,-1.2 3,-1.3 1,-0.2 4,-0.6 -0.506 29.8 147.7-105.3 69.8 -13.4 -11.5 -36.9
32 32 K H 3> + 0 0 128 -2,-0.7 4,-2.3 1,-0.3 3,-0.4 0.772 60.6 83.5 -65.0 -22.8 -10.6 -11.1 -34.3
33 33 D H 3> S+ 0 0 104 -3,-0.3 4,-3.3 1,-0.3 -1,-0.3 0.839 81.1 58.0 -54.1 -37.7 -13.5 -10.2 -32.1
34 34 L H <> S+ 0 0 14 -3,-1.3 4,-2.9 1,-0.2 -1,-0.3 0.969 107.6 45.7 -60.3 -47.5 -14.3 -13.8 -31.4
35 35 S H X S+ 0 0 11 -4,-0.6 4,-2.5 -3,-0.4 -1,-0.2 0.909 113.8 50.3 -61.1 -39.3 -10.9 -14.4 -30.0
36 36 H H X S+ 0 0 92 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.930 110.8 48.5 -63.2 -43.2 -11.2 -11.2 -28.0
37 37 Q H X S+ 0 0 37 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.893 109.3 54.3 -63.9 -38.9 -14.6 -12.2 -26.7
38 38 K H <>S+ 0 0 0 -4,-2.9 5,-1.6 -5,-0.2 4,-0.5 0.945 107.7 48.5 -60.9 -46.9 -13.1 -15.6 -25.8
39 39 W H ><5S+ 0 0 109 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.943 112.9 46.9 -60.4 -44.8 -10.4 -14.1 -23.7
40 40 T H 3<5S+ 0 0 49 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.819 103.6 64.5 -63.2 -28.4 -12.8 -11.8 -21.9
41 41 Y T 3<5S- 0 0 5 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.633 124.4-110.5 -65.0 -17.2 -14.8 -15.0 -21.6
42 42 Q T < 5 + 0 0 64 -3,-2.3 2,-0.5 -4,-0.5 -3,-0.2 0.779 66.0 151.6 81.5 39.5 -11.9 -16.1 -19.4
43 43 V < - 0 0 1 -5,-1.6 -1,-0.3 1,-0.1 -24,-0.2 -0.871 29.0-173.4-104.1 127.9 -10.6 -18.7 -21.8
44 44 G S S+ 0 0 21 -26,-1.7 34,-2.3 -2,-0.5 2,-0.3 0.798 70.8 41.6 -77.7 -39.5 -6.9 -19.6 -21.8
45 45 L E -de 19 78B 2 -27,-2.5 -25,-0.6 32,-0.2 2,-0.5 -0.858 64.7-147.6-120.6 148.7 -6.8 -21.9 -24.9
46 46 K E -de 20 79B 1 32,-3.5 34,-2.3 -2,-0.3 2,-0.3 -0.965 19.7-160.7-113.2 130.3 -8.5 -21.8 -28.2
47 47 G E +de 21 80B 0 -27,-3.3 -25,-2.9 -2,-0.5 2,-0.3 -0.851 17.6 158.3-113.2 147.8 -9.3 -25.2 -29.7
48 48 E E - e 0 81B 1 32,-1.8 34,-2.5 -2,-0.3 -25,-0.1 -0.979 30.6-126.2-163.0 152.2 -10.0 -26.0 -33.3
49 49 T E - e 0 82B 18 -2,-0.3 2,-0.5 32,-0.2 -25,-0.3 -0.431 26.2-117.4 -92.5 171.8 -10.1 -28.9 -35.7
50 50 L - 0 0 1 32,-1.2 2,-1.0 33,-0.3 35,-0.1 -0.950 20.1-145.6-107.9 132.5 -8.3 -29.2 -39.0
51 51 D > + 0 0 30 -2,-0.5 4,-2.5 1,-0.2 5,-0.1 -0.762 20.8 176.6-105.7 94.0 -10.6 -29.5 -42.0
52 52 T H > S+ 0 0 10 -2,-1.0 4,-3.3 33,-0.5 -1,-0.2 0.906 79.8 52.2 -63.5 -43.5 -8.8 -31.8 -44.4
53 53 N H 4 S+ 0 0 30 36,-2.0 -1,-0.2 1,-0.2 37,-0.1 0.901 112.3 47.7 -62.6 -37.0 -11.5 -31.9 -47.0
54 54 S H >4 S+ 0 0 38 1,-0.2 3,-0.5 35,-0.2 -1,-0.2 0.929 113.6 48.6 -65.6 -42.7 -11.6 -28.2 -46.9
55 55 L H 3< S+ 0 0 18 -4,-2.5 6,-3.1 1,-0.3 2,-0.5 0.915 123.5 25.6 -67.2 -45.5 -7.9 -28.0 -47.3
56 56 S B 3< +L 60 0C 11 -4,-3.3 -1,-0.3 4,-0.2 4,-0.2 -0.658 58.0 145.5-126.0 82.9 -7.4 -30.4 -50.1
57 57 D S < S- 0 0 99 2,-0.6 36,-0.2 -3,-0.5 -1,-0.2 0.925 98.5 -42.7 -68.7 -41.6 -10.5 -30.6 -52.3
58 58 S S S+ 0 0 93 1,-1.1 3,-0.1 -3,-0.2 33,-0.0 -0.065 135.1 24.6-147.0-111.3 -8.0 -31.1 -55.0
59 59 A S S- 0 0 76 1,-0.1 -1,-1.1 -2,-0.1 -2,-0.6 -0.325 105.1 -87.6 -61.6 154.2 -5.0 -28.8 -55.0
60 60 F B -L 56 0C 111 -4,-0.2 2,-0.4 -3,-0.1 -4,-0.2 -0.385 48.0-172.9 -69.2 140.8 -4.3 -27.6 -51.5
61 61 T - 0 0 63 -6,-3.1 2,-0.5 -3,-0.1 3,-0.1 -1.000 8.5-173.8-133.8 136.1 -6.1 -24.5 -50.4
62 62 K - 0 0 129 -2,-0.4 -7,-0.1 1,-0.2 -2,-0.0 -0.888 14.0-176.7-133.1 108.4 -5.6 -22.5 -47.2
63 63 D S S- 0 0 134 -2,-0.5 -1,-0.2 1,-0.1 -8,-0.0 0.973 80.8 -60.0 -62.4 -47.1 -7.9 -19.7 -46.4
64 64 G > + 0 0 17 -3,-0.1 4,-1.6 3,-0.1 -1,-0.1 0.114 68.4 157.0 164.1 75.8 -5.7 -19.3 -43.5
65 65 L H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.964 93.0 44.0 -67.9 -50.0 -5.2 -21.9 -40.8
66 66 V H > S+ 0 0 28 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.869 109.2 57.0 -63.8 -37.2 -1.9 -20.3 -39.9
67 67 E H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.940 106.8 49.7 -61.1 -42.3 -3.3 -16.9 -40.0
68 68 Q H X S+ 0 0 28 -4,-1.6 4,-1.5 1,-0.2 3,-0.2 0.937 109.3 49.9 -63.8 -45.2 -5.9 -17.9 -37.5
69 69 L H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.3 3,-0.6 0.926 108.5 51.8 -61.7 -43.4 -3.5 -19.4 -35.0
70 70 S H 3X S+ 0 0 42 -4,-2.3 4,-2.6 1,-0.3 -1,-0.3 0.871 105.3 58.3 -61.4 -31.3 -1.2 -16.3 -35.1
71 71 M H 3X S+ 0 0 32 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.3 0.866 106.9 46.7 -64.4 -36.8 -4.3 -14.4 -34.4
72 72 T H S+ 0 0 0 -4,-1.5 5,-1.9 -3,-0.6 4,-0.6 0.932 110.1 53.6 -69.1 -41.2 -4.7 -16.4 -31.2
73 73 W H ><5S+ 0 0 115 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.897 104.1 53.5 -60.7 -41.3 -1.1 -15.9 -30.3
74 74 D H 3<5S+ 0 0 100 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.874 106.3 55.4 -60.8 -32.0 -1.3 -12.2 -30.6
75 75 K H 3<5S- 0 0 47 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.667 115.9-122.8 -68.2 -20.2 -4.2 -12.6 -28.2
76 76 S T <<5 + 0 0 80 -3,-1.7 2,-0.3 -4,-0.6 -3,-0.2 0.811 69.0 132.8 73.9 31.3 -1.8 -14.4 -25.9
77 77 D < - 0 0 1 -5,-1.9 -1,-0.3 -32,-0.0 -32,-0.2 -0.725 53.5-124.0-106.1 164.5 -4.0 -17.5 -25.9
78 78 Y E -e 45 0B 58 -34,-2.3 -32,-3.5 -2,-0.3 2,-0.4 -0.605 20.2-132.6-105.3 163.6 -2.8 -21.0 -26.5
79 79 L E -ef 46 136B 0 56,-3.0 58,-1.4 -34,-0.2 59,-1.1 -0.978 10.8-161.9-128.2 136.2 -4.1 -23.4 -29.1
80 80 W E -ef 47 138B 1 -34,-2.3 -32,-1.8 -2,-0.4 2,-0.8 -0.955 20.9-159.1-105.3 112.5 -5.2 -27.0 -28.9
81 81 Y E -ef 48 139B 8 57,-2.6 59,-2.4 -2,-0.6 2,-1.3 -0.835 10.3-164.7-108.1 111.0 -5.1 -28.2 -32.4
82 82 T E +ef 49 140B 4 -34,-2.5 -32,-1.2 -2,-0.8 59,-0.1 -0.733 23.1 173.9 -91.9 94.1 -7.2 -31.3 -33.1
83 83 T E + 0 0B 6 -2,-1.3 2,-0.5 57,-1.2 -33,-0.3 0.933 14.3 125.3 -76.7 -46.2 -5.7 -32.3 -36.4
84 84 Y E - f 0 141B 9 56,-1.6 58,-3.2 58,-0.3 2,-0.2 -0.904 64.3-112.3-177.3 172.5 -6.7 -35.3 -37.8
85 85 V S S+ 0 0 11 -2,-0.5 -33,-0.5 56,-0.2 2,-0.4 -0.765 93.1 48.1 -88.9 -35.2 -7.8 -36.3 -40.1
86 86 N + 0 0 7 -2,-0.2 -2,-0.1 1,-0.1 -35,-0.0 -0.457 49.0 122.5 -78.1 116.8 -11.2 -37.5 -39.4
87 87 I S S- 0 0 39 -2,-0.4 -1,-0.1 -4,-0.0 -38,-0.1 -0.228 107.9 -57.2-151.4 59.5 -13.5 -35.3 -37.5
88 88 G S S+ 0 0 25 417,-0.1 418,-0.0 -37,-0.0 -2,-0.0 0.936 121.1 98.8 57.0 81.3 -16.2 -35.3 -40.2
89 89 T + 0 0 5 -38,-0.1 -36,-2.0 -37,-0.1 -35,-0.2 0.424 34.5 139.1-174.2 5.5 -13.8 -34.0 -42.8
90 90 N - 0 0 37 -38,-0.1 2,-0.2 -37,-0.1 415,-0.0 -0.337 58.7-110.9 -65.9 143.9 -12.4 -36.6 -45.0
91 91 D > - 0 0 15 1,-0.1 4,-0.6 -35,-0.0 3,-0.4 -0.527 19.1-132.5 -70.5 143.6 -12.1 -35.6 -48.6
92 92 L H >> S+ 0 0 83 1,-0.2 3,-1.4 2,-0.2 4,-0.6 0.877 102.8 63.6 -65.1 -35.8 -14.6 -37.5 -50.7
93 93 R H >> S+ 0 0 130 1,-0.3 3,-1.8 -36,-0.2 4,-0.6 0.867 92.8 61.8 -59.7 -37.2 -11.9 -38.2 -53.3
94 94 S H >4 S+ 0 0 16 -3,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.841 93.0 66.6 -59.9 -28.0 -9.9 -40.2 -50.8
95 95 G H << S+ 0 0 40 -3,-1.4 5,-0.3 -4,-0.6 -1,-0.3 0.823 88.8 67.2 -60.7 -31.7 -12.9 -42.5 -50.6
96 96 Q H << S+ 0 0 124 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.862 78.2 92.0 -61.4 -37.7 -12.3 -43.5 -54.2
97 97 S S X< S- 0 0 45 -3,-1.0 3,-0.5 -4,-0.6 2,-0.0 -0.272 93.1 -97.5 -58.8 145.2 -9.1 -45.3 -53.3
98 98 P T 3 S- 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.327 91.3 -0.2 -71.8 149.5 -9.8 -48.8 -52.7
99 99 Q T 3 S+ 0 0 150 1,-0.2 2,-0.4 -3,-0.1 9,-0.3 0.884 94.1 149.2 45.6 57.5 -10.3 -50.4 -49.2
100 100 L < + 0 0 20 -3,-0.5 -1,-0.2 -5,-0.3 4,-0.1 -0.928 5.2 83.0-127.1 149.8 -9.7 -47.1 -47.4
101 101 F S S- 0 0 34 -2,-0.4 3,-0.1 2,-0.2 409,-0.1 0.330 89.0 -24.4 129.8 118.4 -10.9 -45.5 -44.2
102 102 R S S+ 0 0 17 1,-0.2 2,-0.3 6,-0.1 58,-0.1 0.781 103.4 95.2 40.7 51.8 -10.1 -45.4 -40.5
103 103 T S S- 0 0 29 2,-0.1 2,-2.2 57,-0.1 -2,-0.2 -0.866 95.0 -72.2-150.9-176.6 -8.5 -48.9 -40.5
104 104 D S S+ 0 0 72 -2,-0.3 2,-0.4 -3,-0.1 53,-0.1 -0.549 79.4 140.7 -83.4 76.5 -5.2 -50.7 -40.7
105 105 N > - 0 0 32 -2,-2.2 4,-2.6 1,-0.1 5,-0.1 -0.974 51.4-145.5-126.3 134.3 -5.0 -49.9 -44.4
106 106 G H > S+ 0 0 46 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.907 100.3 49.4 -65.2 -44.9 -1.8 -49.0 -46.2
107 107 P H > S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.880 113.5 47.2 -63.9 -35.4 -3.4 -46.6 -48.6
108 108 F H > S+ 0 0 12 -9,-0.3 4,-3.0 2,-0.2 5,-0.3 0.925 110.4 52.9 -68.2 -44.3 -5.2 -44.8 -45.8
109 109 K H X S+ 0 0 23 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.909 107.9 50.0 -61.1 -42.7 -2.1 -44.6 -43.7
110 110 A H X S+ 0 0 44 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.946 113.6 45.1 -63.0 -45.1 -0.1 -43.0 -46.4
111 111 E H X S+ 0 0 60 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.927 115.5 46.7 -65.1 -43.5 -2.7 -40.4 -47.1
112 112 M H X S+ 0 0 7 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.944 112.7 49.0 -63.9 -45.4 -3.3 -39.6 -43.5
113 113 Q H X S+ 0 0 100 -4,-3.0 4,-3.0 -5,-0.3 5,-0.4 0.914 110.6 51.7 -62.3 -40.7 0.4 -39.4 -42.7
114 114 K H X S+ 0 0 136 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.949 113.4 42.8 -62.1 -47.4 1.0 -37.1 -45.6
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