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 .
731 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
32207.2 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
417 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
42 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
121 16.6 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 .
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 .
3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
4 0.5 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 .
67 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
44 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
91 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
8 1.1 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 3 2 0 1 0 2 0 0 0 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
3 1 3 0 3 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 5 3 3 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 1 2 2 0 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 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 83 0, 0.0 124,-0.1 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0-177.3 -13.9 39.4 43.9
2 2 D + 0 0 115 1,-0.2 123,-0.1 122,-0.1 122,-0.0 0.910 360.0 36.4 -66.7 -42.2 -15.4 36.0 44.3
3 3 S S S+ 0 0 14 121,-0.6 2,-0.3 12,-0.0 -1,-0.2 -0.945 76.0 166.6-118.6 118.1 -12.1 34.2 43.8
4 4 P - 0 0 29 0, 0.0 11,-2.9 0, 0.0 2,-0.3 -0.880 23.9-155.2-121.2 167.9 -9.0 35.7 45.1
5 5 G E +A 14 0A 1 183,-0.4 182,-1.2 -2,-0.3 181,-0.3 -0.961 29.5 146.4-132.3 146.9 -5.4 34.8 45.8
6 6 T E -A 13 0A 45 7,-1.8 7,-3.6 -2,-0.3 2,-0.3 -0.890 26.9-140.9-160.2-174.4 -3.3 36.5 48.4
7 7 F E +A 12 0A 21 5,-0.3 2,-0.2 -2,-0.3 5,-0.2 -0.993 13.3 178.7-158.6 160.8 -0.6 35.7 50.8
8 8 R - 0 0 128 3,-2.1 -2,-0.0 -2,-0.3 5,-0.0 -0.754 55.9 -73.5-145.7-169.2 0.7 36.4 54.3
9 9 E S S+ 0 0 51 -2,-0.2 244,-0.4 1,-0.2 3,-0.1 0.855 128.5 46.7 -63.6 -35.9 3.5 35.3 56.5
10 10 K S S- 0 0 18 1,-0.2 243,-0.3 242,-0.1 2,-0.3 0.932 120.0 -43.9 -75.0 -47.5 1.9 31.9 57.0
11 11 K - 0 0 0 241,-0.1 -3,-2.1 9,-0.1 2,-0.3 -0.958 63.2 -65.3-167.3 179.8 0.9 30.8 53.5
12 12 L E -AB 7 19A 1 7,-0.7 7,-1.8 -2,-0.3 2,-0.6 -0.621 50.9-140.7 -75.8 143.0 -0.6 31.5 50.1
13 13 Y E -AB 6 18A 14 -7,-3.6 -7,-1.8 -2,-0.3 2,-0.5 -0.947 16.0-169.1-117.4 121.8 -4.3 32.2 50.5
14 14 E E S-A 5 0A 42 3,-2.5 -9,-0.2 -2,-0.6 116,-0.0 -0.923 77.7 -13.4-107.5 127.6 -6.8 30.8 48.1
15 15 Q S S- 0 0 91 -11,-2.9 -1,-0.2 -2,-0.5 -10,-0.1 0.918 133.0 -53.0 50.3 50.2 -10.4 32.1 48.2
16 16 I S S+ 0 0 126 -3,-0.3 2,-0.2 -12,-0.1 -1,-0.2 0.971 116.2 109.2 39.9 90.0 -9.4 33.6 51.6
17 17 N - 0 0 91 2,-0.0 -3,-2.5 -6,-0.0 -1,-0.1 -0.637 68.2-120.8 175.1 123.6 -8.1 30.4 53.1
18 18 M E -B 13 0A 59 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.441 34.0-168.9 -73.2 146.1 -4.5 29.6 54.0
19 19 T E -B 12 0A 28 -7,-1.8 2,-0.8 -2,-0.1 -7,-0.7 -0.998 27.4-141.5-139.7 145.1 -3.3 26.5 52.3
20 20 W - 0 0 13 -2,-0.4 2,-0.5 -9,-0.1 272,-0.2 -0.907 37.7-150.7 -99.1 109.1 -0.3 24.3 52.6
21 21 D E -c 292 0B 7 270,-2.4 272,-1.8 -2,-0.8 2,-0.5 -0.704 17.0-163.7 -98.4 128.1 0.3 23.5 49.0
22 22 K E +c 293 0B 0 -2,-0.5 26,-1.5 270,-0.2 2,-0.3 -0.898 23.9 174.3-100.2 128.6 1.9 20.4 47.7
23 23 S E -cd 294 48B 0 270,-2.6 272,-2.3 -2,-0.5 2,-0.3 -0.903 18.8-164.4-138.7 164.7 3.0 20.8 44.1
24 24 D E -cd 295 49B 0 24,-1.7 26,-2.8 -2,-0.3 2,-0.4 -0.998 23.9-115.8-147.1 147.6 4.9 18.9 41.4
25 25 Y E + d 0 50B 2 270,-2.8 273,-2.5 -2,-0.3 274,-2.1 -0.699 30.9 170.0 -92.5 131.3 6.5 19.8 38.1
26 26 L E -c 299 0B 1 24,-2.3 2,-0.5 -2,-0.4 274,-0.1 -0.956 16.9-159.6-135.5 114.9 5.2 18.4 34.9
27 27 W - 0 0 22 272,-0.7 26,-0.1 -2,-0.4 24,-0.1 -0.843 51.1 -80.3 -94.4 135.2 6.5 19.8 31.6
28 28 Y + 0 0 82 -2,-0.5 3,-0.1 273,-0.1 -1,-0.1 -0.063 54.9 179.9 -52.5 117.9 4.1 19.0 28.9
29 29 M - 0 0 27 1,-0.3 2,-0.1 2,-0.1 -3,-0.0 0.292 57.3 -35.0 -82.1-152.8 4.5 15.3 27.7
30 30 T > - 0 0 3 1,-0.1 4,-1.4 4,-0.0 -1,-0.3 -0.443 59.7-120.3 -74.0 155.7 2.2 14.1 24.9
31 31 D H > S+ 0 0 108 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.889 112.1 54.2 -64.6 -39.2 -1.4 15.4 25.0
32 32 V H > S+ 0 0 94 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.922 111.5 44.4 -62.1 -44.3 -2.8 12.0 25.4
33 33 V H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.761 94.5 82.8 -69.6 -26.6 -0.7 11.2 28.4
34 34 L H X S+ 0 0 5 -4,-1.4 4,-2.5 1,-0.3 5,-0.2 0.865 89.0 48.0 -54.9 -47.0 -1.3 14.5 30.1
35 35 D H X S+ 0 0 108 -4,-0.7 4,-2.3 -3,-0.4 -1,-0.3 0.928 114.4 47.1 -63.8 -39.6 -4.6 13.7 31.7
36 36 G H X S+ 0 0 24 -4,-0.5 4,-2.4 -3,-0.4 -1,-0.2 0.902 111.8 50.0 -64.4 -42.0 -3.3 10.4 33.0
37 37 N H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.899 112.0 48.5 -63.6 -42.2 -0.1 12.1 34.4
38 38 E H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.882 110.0 52.2 -65.3 -40.2 -2.2 14.7 36.0
39 39 G H X S+ 0 0 33 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.896 107.5 52.2 -63.8 -40.5 -4.4 12.1 37.5
40 40 F H X S+ 0 0 75 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.920 110.1 48.3 -62.1 -43.2 -1.4 10.3 38.9
41 41 L H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 4,-0.3 0.899 110.3 51.6 -65.0 -37.7 -0.3 13.4 40.5
42 42 K H ><5S+ 0 0 105 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.950 113.1 43.6 -63.0 -45.6 -3.7 14.1 42.0
43 43 K H 3<5S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.1 63.9 -65.3 -31.0 -3.8 10.6 43.4
44 44 G T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 298,-0.2 0.544 123.6-108.9 -65.1 -13.6 -0.2 11.2 44.5
45 45 D T < 5 + 0 0 26 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.2 0.783 66.4 150.0 82.7 35.4 -1.7 14.0 46.7
46 46 E < - 0 0 6 -5,-2.1 -1,-0.3 1,-0.1 -23,-0.2 -0.836 29.8-170.5 -99.5 130.6 -0.5 17.0 44.8
47 47 P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 -24,-0.2 0.602 70.5 37.4 -82.6 -15.9 -2.5 20.1 44.9
48 48 W E -d 23 0B 0 -26,-1.5 -24,-1.7 30,-0.2 2,-0.5 -0.978 61.3-148.8-145.0 146.3 -0.6 22.0 42.3
49 49 L E -de 24 80B 0 30,-2.7 32,-1.7 -2,-0.3 2,-0.4 -0.978 18.2-162.9-116.6 131.4 1.2 21.4 39.0
50 50 T E +de 25 81B 0 -26,-2.8 -24,-2.3 -2,-0.5 2,-0.3 -0.889 16.4 161.1-113.9 141.5 4.1 23.6 38.2
51 51 A - 0 0 0 30,-2.1 32,-0.4 -2,-0.4 -24,-0.1 -0.970 34.0-121.1-158.6 147.5 5.6 23.9 34.7
52 52 Y - 0 0 8 -2,-0.3 2,-0.5 30,-0.2 32,-0.1 -0.398 28.1-123.7 -77.8 158.5 7.8 26.2 32.8
53 53 T - 0 0 18 30,-1.4 2,-0.9 -2,-0.1 32,-0.1 -0.926 22.0-137.8-100.1 135.1 6.5 27.9 29.6
54 54 H > - 0 0 7 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 -0.827 19.6-175.5-105.0 105.8 8.8 27.1 26.7
55 55 W H > S+ 0 0 12 -2,-0.9 4,-3.5 33,-0.3 -1,-0.2 0.892 81.0 56.0 -63.2 -45.1 9.3 30.2 24.7
56 56 A H 4 S+ 0 0 11 32,-1.3 -1,-0.2 1,-0.2 252,-0.2 0.903 110.4 44.9 -60.9 -42.1 11.3 28.5 22.0
57 57 A H >4 S+ 0 0 23 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 0.933 114.8 49.7 -65.5 -43.2 8.6 26.0 21.3
58 58 Q H 3< S+ 0 0 16 -4,-2.1 2,-0.5 1,-0.3 6,-0.4 0.907 120.8 29.6 -67.2 -43.9 5.9 28.7 21.4
59 59 M T 3< + 0 0 53 -4,-3.5 -1,-0.3 1,-0.2 4,-0.2 -0.549 60.5 134.4-121.2 75.0 7.5 31.1 19.0
60 60 A S < S- 0 0 65 2,-0.9 -1,-0.2 -3,-0.7 3,-0.1 0.932 105.9 -55.7 -67.6 -43.6 9.6 29.4 16.5
61 61 Q S S+ 0 0 157 1,-1.3 -3,-0.0 -3,-0.3 0, 0.0 -0.077 132.2 30.0-152.6 -95.0 7.8 31.7 14.3
62 62 S S S- 0 0 96 -3,-0.1 -1,-1.3 1,-0.1 -2,-0.9 -0.209 98.0-100.5 -68.1 171.0 4.1 31.4 14.7
63 63 L - 0 0 96 -4,-0.2 2,-0.3 -3,-0.1 -4,-0.2 -0.692 17.4-137.5-112.2 158.2 3.0 30.3 18.1
64 64 N - 0 0 101 -6,-0.4 -6,-0.0 -2,-0.3 -7,-0.0 -0.767 26.5-121.2-104.9 148.5 1.9 27.0 19.9
65 65 A + 0 0 50 -2,-0.3 -1,-0.1 1,-0.1 -7,-0.0 0.938 28.1 175.2 -64.7 -67.8 -1.0 27.0 22.4
66 66 G > + 0 0 30 1,-0.1 4,-1.4 -13,-0.0 3,-0.3 0.145 60.1 99.7 78.1 -22.2 -0.2 25.7 26.0
67 67 V H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 72.7 57.5 -65.8 -41.2 -3.7 26.6 27.0
68 68 P H > S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.835 102.7 53.2 -61.4 -33.5 -5.0 23.1 26.7
69 69 W H > S+ 0 0 23 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.922 110.1 48.4 -65.6 -42.9 -2.4 21.7 29.2
70 70 I H X S+ 0 0 2 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.892 110.3 51.7 -63.5 -40.4 -3.5 24.3 31.7
71 71 M H X S+ 0 0 52 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.888 106.6 54.8 -63.4 -37.3 -7.1 23.4 31.2
72 72 C H X S+ 0 0 33 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.916 107.4 49.0 -63.7 -40.5 -6.3 19.8 31.7
73 73 K H <>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 3,-0.3 0.918 109.5 52.6 -65.3 -38.1 -4.8 20.6 35.1
74 74 Q H ><5S+ 0 0 74 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.880 103.4 57.4 -64.3 -35.8 -7.8 22.7 36.0
75 75 D H 3<5S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.885 102.0 55.7 -60.6 -37.3 -10.1 19.7 35.1
76 76 S T 3<5S- 0 0 18 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.524 118.8-115.8 -72.4 -4.2 -8.2 17.7 37.7
77 77 D T < 5S+ 0 0 134 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.833 73.4 132.1 70.4 33.2 -9.0 20.3 40.2
78 78 V < - 0 0 4 -5,-1.9 -1,-0.3 -30,-0.0 -30,-0.2 -0.905 52.7-127.8-116.8 142.5 -5.4 21.2 40.6
79 79 P - 0 0 17 0, 0.0 -30,-2.7 0, 0.0 2,-0.3 -0.342 21.9-133.3 -78.2 171.6 -3.9 24.6 40.6
80 80 D E -ef 49 129B 0 48,-2.7 50,-2.0 -32,-0.2 51,-1.0 -0.946 12.2-161.7-132.2 147.9 -1.0 25.8 38.4
81 81 N E +ef 50 131B 0 -32,-1.7 -30,-2.1 -2,-0.3 2,-0.3 -0.997 32.3 165.4-123.1 124.4 2.3 27.7 38.9
82 82 V E + f 0 132B 5 49,-1.4 51,-0.9 -2,-0.4 2,-0.2 -0.991 15.5 61.2-150.6 151.9 3.9 29.2 35.6
83 83 I E + f 0 133B 5 -32,-0.4 -30,-1.4 -2,-0.3 51,-0.2 -0.870 59.5 80.1 161.0-107.8 6.5 31.6 33.4
84 84 D E - f 0 134B 19 49,-1.4 51,-0.8 51,-0.3 52,-0.2 -0.366 52.8-140.8 96.2-142.5 10.5 31.7 33.5
85 85 T - 0 0 10 50,-0.1 51,-0.1 49,-0.1 -1,-0.1 0.803 27.1-143.0-152.8-179.7 12.9 29.8 32.1
86 86 C S S- 0 0 24 49,-0.1 450,-0.1 2,-0.1 50,-0.1 0.877 98.0 -37.8 -50.3-123.6 16.2 27.7 31.7
87 87 N S S+ 0 0 21 1,-0.1 3,-0.1 447,-0.1 448,-0.1 0.787 92.1 135.9 -68.7 -77.0 17.4 28.2 28.2
88 88 G + 0 0 3 1,-0.2 -32,-1.3 222,-0.2 2,-0.5 0.567 35.9 130.7 60.8 3.1 14.0 28.1 26.7
89 89 F - 0 0 41 -34,-0.2 -1,-0.2 -33,-0.1 2,-0.1 -0.724 60.7-132.5 -94.4 135.0 15.0 31.1 24.6
90 90 Y - 0 0 43 -2,-0.5 2,-3.3 1,-0.1 3,-0.3 -0.519 52.1 -85.0 -69.7 155.4 14.5 30.9 21.0
91 91 C S > S+ 0 0 35 1,-0.2 3,-0.8 378,-0.2 -1,-0.1 -0.309 80.3 144.3 -68.2 66.9 17.8 32.0 19.4
92 92 E G > + 0 0 11 -2,-3.3 3,-1.3 1,-0.2 -1,-0.2 0.513 42.1 100.4 -72.4 -16.4 16.6 35.7 19.8
93 93 G G 3 + 0 0 40 -3,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.720 58.5 81.3 -52.6 -26.3 20.3 36.4 20.6
94 94 F G < S+ 0 0 93 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.1 0.930 81.8 62.4 -55.0 -50.7 20.8 37.6 17.0
95 95 V S < S- 0 0 73 -3,-1.3 2,-0.1 1,-0.1 0, 0.0 -0.557 116.1 -96.6 -68.1 143.3 19.4 41.0 17.7
96 96 P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 4,-0.3 -0.463 45.5-130.5 -63.6 135.1 21.8 42.3 20.2
97 97 K + 0 0 24 -4,-0.3 2,-0.2 3,-0.1 -4,-0.0 -0.761 66.8 77.7-101.1 133.6 20.3 41.7 23.6
98 98 D S > S+ 0 0 41 -2,-0.4 4,-2.0 64,-0.1 5,-0.1 -0.602 107.8 7.6 179.3-107.0 20.0 44.3 26.3
99 99 K H > S+ 0 0 141 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.905 136.4 51.1 -61.2 -39.9 17.3 47.0 26.1
100 100 S H > S+ 0 0 39 -4,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.846 104.5 59.3 -65.7 -30.4 16.0 45.0 23.1
101 101 F H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.925 103.9 49.4 -62.7 -44.5 16.1 42.0 25.4
102 102 K H X S+ 0 0 25 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.926 110.0 51.8 -62.4 -41.9 13.8 43.7 27.8
103 103 E H X S+ 0 0 108 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.947 114.0 41.4 -62.0 -48.4 11.4 44.5 25.0
104 104 K H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.902 116.0 48.8 -68.5 -39.9 11.2 40.9 23.7
105 105 M H X S+ 0 0 11 -4,-2.9 4,-2.8 -5,-0.2 5,-0.3 0.942 112.9 48.9 -63.8 -42.6 11.1 39.3 27.1
106 106 Q H X S+ 0 0 76 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.903 109.9 51.1 -62.6 -42.2 8.3 41.7 28.1
107 107 V H X S+ 0 0 58 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.905 112.5 46.1 -65.1 -40.3 6.4 41.0 25.0
108 108 F H X S+ 0 0 19 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.947 115.9 44.0 -67.6 -46.8 6.6 37.3 25.4
109 109 T H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.918 115.2 49.5 -64.2 -41.3 5.6 37.4 29.1
110 110 T H X S+ 0 0 24 -4,-2.9 4,-2.9 -5,-0.3 -1,-0.2 0.910 109.7 51.7 -64.3 -39.9 2.9 39.9 28.5
111 111 K H X S+ 0 0 91 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.930 111.0 47.6 -61.2 -44.6 1.6 37.8 25.6
112 112 I H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.937 112.9 48.7 -63.0 -46.0 1.5 34.7 27.9
113 113 V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.910 112.0 47.9 -62.0 -44.2 -0.2 36.7 30.6
114 114 D H X S+ 0 0 56 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.895 109.4 52.9 -65.6 -39.0 -2.8 38.1 28.4
115 115 M H X S+ 0 0 36 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.906 110.7 47.4 -64.9 -38.6 -3.6 34.8 26.8
116 116 M H <>S+ 0 0 6 -4,-2.1 5,-2.7 1,-0.2 4,-0.5 0.929 112.2 50.2 -65.1 -42.3 -4.2 33.3 30.2
117 117 K H ><5S+ 0 0 59 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.824 101.1 60.6 -67.8 -31.4 -6.4 36.2 31.2
118 118 A H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.916 111.5 42.3 -59.3 -40.8 -8.6 36.1 28.2
119 119 E T 3<5S- 0 0 91 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.470 112.5-120.4 -76.8 -15.0 -9.4 32.5 29.3
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