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 .
.
COMPND .
SOURCE .
AUTHOR .
729 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
35113.4 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
391 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
46 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
107 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
3 0.4 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 .
6 0.8 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 .
5 0.7 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 .
68 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
38 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
85 11.7 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 1 3 1 1 1 0 1 1 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
4 2 3 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 0 0 PARALLEL BRIDGES PER LADDER .
11 7 2 3 3 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 3 3 0 2 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 72 0, 0.0 2,-0.4 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 169.8 -10.4 37.3 42.9
2 2 V + 0 0 13 172,-0.7 9,-0.3 10,-0.0 2,-0.2 -0.997 360.0 164.7-130.8 142.9 -7.1 36.5 44.4
3 3 G B -A 10 0A 22 7,-3.5 7,-3.9 -2,-0.4 172,-0.0 -0.718 25.3-125.5-137.8-175.6 -5.1 38.8 46.7
4 4 L - 0 0 18 5,-0.3 5,-0.2 -2,-0.2 2,-0.2 -0.965 17.1-176.3-149.1 125.5 -2.2 38.3 49.0
5 5 P - 0 0 39 0, 0.0 203,-0.1 0, 0.0 5,-0.0 -0.481 49.8 -96.4 -97.3-177.2 -1.6 39.1 52.6
6 6 N S S+ 0 0 69 1,-0.2 203,-0.4 -2,-0.2 201,-0.1 0.836 124.7 56.8 -64.0 -35.2 1.6 38.6 54.5
7 7 V S S- 0 0 63 1,-0.2 2,-0.3 201,-0.1 202,-0.2 0.878 120.7 -56.1 -67.8 -44.0 0.1 35.4 55.6
8 8 G - 0 0 1 200,-0.1 2,-0.2 198,-0.1 -1,-0.2 -0.990 67.7 -52.3 178.8 178.0 -0.5 33.7 52.3
9 9 N E - B 0 15A 17 6,-0.6 6,-1.8 -2,-0.3 2,-0.6 -0.564 52.8-148.6 -72.6 140.3 -2.2 33.9 48.9
10 10 H E +AB 3 14A 53 -7,-3.9 -7,-3.5 -2,-0.2 4,-0.2 -0.944 35.0 144.1-118.5 117.7 -5.8 34.7 49.3
11 11 F S S- 0 0 39 2,-2.1 3,-0.1 -2,-0.6 -1,-0.1 0.246 87.1 -23.4-113.4-117.7 -8.2 33.4 46.9
12 12 E S S- 0 0 141 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.942 143.1 -7.8 -60.2 -40.4 -11.6 32.3 48.0
13 13 N S S- 0 0 48 -4,-0.1 -2,-2.1 0, 0.0 -1,-0.2 -0.885 95.6 -74.5-143.8 171.9 -9.9 31.9 51.3
14 14 W E -B 10 0A 105 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.491 60.2-175.3 -68.0 138.4 -6.3 32.1 52.7
15 15 N E -B 9 0A 51 -6,-1.8 2,-0.6 -2,-0.1 -6,-0.6 -0.992 35.4-137.6-142.8 149.0 -4.6 28.9 51.7
16 16 V - 0 0 20 -2,-0.4 2,-0.5 -8,-0.1 231,-0.2 -0.914 40.0-148.9 -95.0 122.3 -1.4 27.1 52.1
17 17 G E -c 247 0B 25 229,-2.5 231,-1.7 -2,-0.6 2,-0.5 -0.821 17.2-161.9-109.6 135.1 -0.7 25.9 48.6
18 18 V E -c 248 0B 21 -2,-0.5 27,-2.3 229,-0.2 26,-1.8 -0.910 23.9-178.1-106.7 132.8 1.1 22.8 47.5
19 19 L E +cd 249 45B 2 229,-2.2 231,-1.3 -2,-0.5 27,-0.2 -0.850 18.7 178.7-133.9 161.4 2.3 22.9 43.9
20 20 G E - d 0 46B 0 25,-1.0 27,-1.7 229,-0.3 231,-0.2 -0.924 27.5-114.9-160.3 137.3 4.1 20.8 41.3
21 21 P E + d 0 47B 11 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.531 30.3 166.0 -80.9 150.5 5.0 21.4 37.6
22 22 V + 0 0 12 25,-1.5 2,-0.2 -2,-0.2 232,-0.1 -0.958 16.3 126.4-149.9 150.2 3.8 19.6 34.4
23 23 T > - 0 0 21 -2,-0.3 3,-1.2 25,-0.1 27,-0.1 -0.683 67.7 -20.2-164.3-142.3 4.1 20.6 30.6
24 24 L T 3 S+ 0 0 64 1,-0.3 234,-0.3 -2,-0.2 4,-0.1 0.450 108.6 87.0 -67.2 -16.5 5.2 19.6 27.0
25 25 S T 3 S+ 0 0 39 228,-0.1 231,-2.1 232,-0.1 -1,-0.3 0.532 95.1 43.1 -66.7 -7.0 7.3 17.0 28.6
26 26 S S < S- 0 0 29 -3,-1.2 2,-0.3 229,-0.2 232,-0.1 -0.751 89.2-103.9-131.8-179.8 4.2 14.9 28.4
27 27 L > - 0 0 31 -2,-0.2 4,-1.6 1,-0.1 3,-0.3 -0.703 28.8-114.0-108.3 160.0 1.5 14.1 26.0
28 28 N H > S+ 0 0 64 1,-0.3 4,-0.7 -2,-0.3 -1,-0.1 0.861 118.2 54.2 -59.8 -38.0 -2.1 15.3 26.0
29 29 G H > S+ 0 0 21 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.896 109.3 49.0 -62.7 -39.9 -3.4 11.8 26.7
30 30 G H > S+ 0 0 23 -3,-0.3 4,-2.5 1,-0.2 3,-0.5 0.810 92.3 80.3 -66.8 -32.6 -1.1 11.6 29.7
31 31 T H X S+ 0 0 13 -4,-1.6 4,-2.8 1,-0.3 5,-0.2 0.846 89.9 48.8 -53.0 -47.1 -2.2 14.9 31.1
32 32 K H X S+ 0 0 84 -4,-0.7 4,-2.4 -3,-0.4 -1,-0.3 0.934 113.5 48.3 -60.9 -42.4 -5.4 13.8 32.7
33 33 D H X S+ 0 0 64 -4,-0.6 4,-2.3 -3,-0.5 -2,-0.2 0.931 113.1 46.1 -63.3 -46.3 -3.7 10.9 34.4
34 34 L H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 111.9 51.6 -64.5 -40.3 -0.8 13.0 35.7
35 35 S H X S+ 0 0 9 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.908 109.6 50.1 -63.1 -40.7 -3.1 15.7 37.0
36 36 H H X S+ 0 0 114 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.925 109.9 49.7 -63.4 -43.7 -5.2 13.1 38.8
37 37 Q H X S+ 0 0 42 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.885 109.0 53.5 -63.6 -37.0 -2.2 11.6 40.4
38 38 K H <>S+ 0 0 2 -4,-2.3 5,-2.1 2,-0.2 4,-0.2 0.909 108.6 49.6 -62.2 -42.0 -1.1 15.1 41.5
39 39 W H ><5S+ 0 0 123 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.938 113.0 44.5 -62.7 -45.9 -4.5 15.6 43.1
40 40 T H 3<5S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.0 63.6 -64.3 -30.6 -4.3 12.3 45.0
41 41 Y T 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.532 122.6-112.6 -64.8 -17.0 -0.7 13.4 45.7
42 42 Q T < 5 + 0 0 46 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.766 63.7 152.9 75.7 40.3 -2.4 16.3 47.6
43 43 V < - 0 0 3 -5,-2.1 -1,-0.3 1,-0.1 -24,-0.2 -0.842 29.0-170.7 -99.0 129.6 -1.2 19.1 45.3
44 44 G + 0 0 27 -26,-1.8 34,-2.3 -2,-0.5 2,-0.3 0.722 69.9 36.6 -78.7 -33.4 -3.4 22.2 45.1
45 45 L E -de 19 78B 11 -27,-2.3 -25,-1.0 32,-0.2 2,-0.4 -0.909 61.2-147.7-131.3 151.3 -1.7 23.8 42.2
46 46 K E -de 20 79B 3 32,-2.9 34,-2.2 -2,-0.3 2,-0.3 -0.979 21.0-160.7-116.0 133.0 0.0 22.9 38.9
47 47 G E +de 21 80B 0 -27,-1.7 -25,-1.5 -2,-0.4 2,-0.3 -0.848 15.4 166.5-113.8 149.9 2.9 25.1 37.9
48 48 E E - e 0 81B 10 32,-2.1 34,-3.1 -2,-0.3 2,-0.2 -0.967 29.3-132.5-161.9 142.8 4.3 25.3 34.4
49 49 T E - e 0 82B 29 -2,-0.3 2,-0.2 32,-0.2 34,-0.2 -0.512 29.8-120.9 -86.3 162.7 6.5 27.5 32.3
50 50 L - 0 0 5 32,-1.7 2,-0.5 -2,-0.2 35,-0.1 -0.633 19.7-136.0 -92.0 164.2 5.4 28.6 28.9
51 51 D > + 0 0 26 -2,-0.2 4,-2.3 1,-0.2 3,-0.1 -0.808 23.6 177.8-127.0 96.0 7.7 27.5 26.1
52 52 T H > S+ 0 0 6 -2,-0.5 4,-3.4 37,-0.4 -1,-0.2 0.892 80.1 55.8 -62.0 -44.2 8.2 30.4 23.7
53 53 N H 4 S+ 0 0 26 36,-1.0 -1,-0.2 1,-0.2 37,-0.1 0.902 111.7 44.4 -60.7 -39.8 10.5 28.6 21.4
54 54 S H 4 S+ 0 0 38 1,-0.2 3,-0.5 -3,-0.1 -1,-0.2 0.922 114.3 50.3 -67.4 -42.9 8.0 25.9 20.9
55 55 L H < S+ 0 0 8 -4,-2.3 6,-2.4 1,-0.3 2,-0.5 0.909 121.7 28.1 -66.1 -44.1 5.2 28.3 20.5
56 56 S B < +L 60 0C 19 -4,-3.4 -1,-0.3 4,-0.2 4,-0.2 -0.694 54.1 147.0-126.1 87.5 6.8 30.5 17.9
57 57 D S S- 0 0 122 2,-0.7 -1,-0.2 -2,-0.5 36,-0.2 0.893 101.6 -46.1 -69.4 -38.0 9.3 28.7 15.8
58 58 S S S+ 0 0 82 1,-1.2 3,-0.1 -3,-0.2 33,-0.0 -0.140 134.2 23.2-151.8-108.4 8.0 31.2 13.4
59 59 A S S- 0 0 77 1,-0.1 -1,-1.2 -3,-0.1 -2,-0.7 -0.281 106.7 -79.9 -64.7 161.2 4.3 31.6 13.2
60 60 F B -L 56 0C 94 -4,-0.2 2,-0.4 -3,-0.1 -4,-0.2 -0.346 43.4-168.0 -70.0 144.3 2.6 30.5 16.4
61 61 T - 0 0 62 -6,-2.4 2,-0.7 -3,-0.1 3,-0.2 -1.000 3.4-162.7-128.7 130.7 2.0 26.8 17.1
62 62 K + 0 0 117 -2,-0.4 -7,-0.1 1,-0.2 -2,-0.0 -0.869 15.4 177.0-119.2 103.0 -0.3 25.8 19.9
63 63 D S S- 0 0 92 -2,-0.7 -1,-0.2 1,-0.1 -35,-0.0 0.974 76.9 -70.0 -62.7 -47.3 0.1 22.2 20.9
64 64 G > + 0 0 13 -3,-0.2 4,-1.8 3,-0.1 5,-0.1 0.225 69.0 157.8 156.2 70.0 -2.4 23.1 23.5
65 65 L H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 89.3 48.0 -66.8 -46.1 -1.4 25.4 26.4
66 66 V H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 108.5 53.0 -62.8 -42.1 -5.1 26.2 26.8
67 67 E H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 109.8 48.7 -62.6 -41.5 -6.1 22.5 26.8
68 68 Q H X S+ 0 0 14 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.931 111.5 49.5 -63.7 -42.8 -3.6 21.7 29.5
69 69 L H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.896 109.9 51.2 -63.2 -40.7 -4.8 24.6 31.6
70 70 S H X S+ 0 0 53 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.877 106.8 55.0 -64.9 -35.6 -8.4 23.5 31.1
71 71 M H X S+ 0 0 23 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.901 106.1 50.5 -65.4 -39.3 -7.5 20.0 32.2
72 72 T H <>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 4,-0.4 0.921 108.3 53.8 -64.7 -39.0 -6.0 21.3 35.4
73 73 W H ><5S+ 0 0 104 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.888 103.1 55.2 -61.3 -40.2 -9.1 23.3 36.1
74 74 D H 3<5S+ 0 0 113 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.876 103.3 57.0 -60.5 -35.4 -11.3 20.2 35.7
75 75 K T 3<5S- 0 0 25 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.617 117.0-118.1 -67.9 -15.8 -9.1 18.6 38.4
76 76 S T < 5S+ 0 0 82 -3,-1.8 2,-0.3 -4,-0.4 -3,-0.2 0.795 72.4 136.2 74.0 30.5 -10.1 21.5 40.6
77 77 D < - 0 0 1 -5,-1.9 -1,-0.3 -6,-0.1 -32,-0.2 -0.697 50.8-129.5-104.0 158.5 -6.4 22.4 40.7
78 78 Y E -e 45 0B 67 -34,-2.3 -32,-2.9 -2,-0.3 2,-0.4 -0.597 20.4-127.7-105.7 166.8 -5.1 26.0 40.4
79 79 L E -ef 46 136B 3 56,-2.9 58,-2.4 -34,-0.2 2,-0.6 -0.956 12.5-161.5-125.2 142.7 -2.4 27.1 38.0
80 80 W E -e 47 0B 0 -34,-2.2 -32,-2.1 -2,-0.4 2,-0.9 -0.975 21.4-160.4-111.8 109.8 0.9 29.0 38.4
81 81 Y E -ef 48 139B 9 57,-2.3 59,-2.0 -2,-0.6 2,-1.3 -0.810 8.3-163.4-103.7 108.5 1.7 30.1 35.0
82 82 T E +ef 49 140B 0 -34,-3.1 -32,-1.7 -2,-0.9 3,-0.1 -0.717 12.2 176.6 -95.4 96.7 5.3 31.1 34.6
83 83 T E + 0 0B 3 -2,-1.3 2,-0.5 57,-1.0 -1,-0.2 0.632 21.9 149.3 -67.7 -31.3 5.1 33.1 31.4
84 84 Y E - f 0 141B 0 56,-1.1 58,-3.7 58,-0.4 -1,-0.2 -0.426 39.6-157.5 64.0 -95.5 8.8 33.9 31.6
85 85 V S S+ 0 0 8 -2,-0.5 2,-0.6 56,-0.2 -33,-0.3 -0.975 80.7 63.0 -74.0 -13.5 9.6 34.2 28.4
86 86 N + 0 0 1 -34,-0.1 3,-0.1 -35,-0.1 -2,-0.1 -0.787 57.4 102.7 -92.8 125.5 13.1 33.5 29.6
87 87 I S S- 0 0 64 1,-1.8 419,-0.1 -2,-0.6 -2,-0.1 -0.135 107.4 -54.3 176.7 91.0 13.8 30.2 31.3
88 88 G S S+ 0 0 12 417,-0.3 -1,-1.8 1,-0.1 -3,-0.1 -0.315 118.2 86.3 53.4-157.2 15.6 28.2 28.5
89 89 T + 0 0 33 173,-0.2 -36,-1.0 1,-0.2 2,-0.5 0.689 47.1 149.0 48.5 40.3 13.2 28.4 25.6
90 90 N - 0 0 17 -38,-0.2 -1,-0.2 -37,-0.1 2,-0.1 -0.861 58.1-107.4 -95.4 137.3 14.1 31.6 23.9
91 91 D >> - 0 0 22 -2,-0.5 3,-0.6 1,-0.2 4,-0.5 -0.458 21.4-137.3 -64.9 139.5 13.5 31.2 20.3
92 92 L H >> S+ 0 0 72 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.831 100.4 64.7 -67.2 -32.2 16.8 31.0 18.5
93 93 R H >> S+ 0 0 168 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.861 92.0 63.6 -60.0 -35.9 15.6 33.4 15.8
94 94 S H X4 S+ 0 0 19 -3,-0.6 3,-0.9 1,-0.3 -1,-0.3 0.820 91.2 65.9 -61.0 -27.6 15.3 36.1 18.4
95 95 G H << S+ 0 0 38 -3,-1.2 5,-0.3 -4,-0.5 -1,-0.3 0.832 88.7 69.0 -61.5 -31.5 19.0 35.9 18.9
96 96 Q H << S+ 0 0 119 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.854 76.9 91.1 -60.1 -38.4 19.6 37.2 15.4
97 97 S S << S- 0 0 46 -3,-0.9 3,-0.5 -4,-0.6 2,-0.0 -0.276 94.2 -95.7 -59.6 145.8 18.3 40.6 16.1
98 98 P S S- 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.327 93.0 -0.2 -69.9 147.5 21.1 42.8 17.1
99 99 Q S S+ 0 0 163 1,-0.2 2,-0.3 -3,-0.1 9,-0.3 0.902 91.9 150.9 45.0 62.3 22.1 43.4 20.7
100 100 L + 0 0 26 -3,-0.5 -1,-0.2 -5,-0.3 4,-0.1 -0.894 6.3 87.3-123.4 153.7 19.4 41.4 22.3
101 101 F S S- 0 0 44 -2,-0.3 3,-0.1 2,-0.2 409,-0.1 0.425 88.1 -27.1 126.6 114.9 18.9 39.4 25.5
102 102 R S S+ 0 0 39 1,-0.1 2,-0.3 6,-0.1 55,-0.2 0.779 100.9 99.0 40.2 54.2 17.8 40.0 29.0
103 103 T S S- 0 0 36 2,-0.1 2,-2.6 53,-0.1 -2,-0.2 -0.922 94.3 -80.3-151.7 172.9 18.7 43.6 29.2
104 104 D S S+ 0 0 61 -2,-0.3 2,-0.4 -3,-0.1 54,-0.0 -0.507 77.9 145.4 -80.1 77.6 16.9 46.9 28.9
105 105 N > - 0 0 19 -2,-2.6 4,-2.7 1,-0.1 5,-0.2 -0.933 51.7-137.6-118.5 139.1 17.1 46.6 25.1
106 106 G H > S+ 0 0 38 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.932 102.1 46.2 -64.3 -47.8 14.4 47.9 22.9
107 107 P H > S+ 0 0 61 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.888 114.7 48.4 -64.8 -35.3 14.3 45.0 20.5
108 108 F H > S+ 0 0 14 -9,-0.3 4,-3.0 2,-0.2 5,-0.2 0.934 112.7 47.5 -67.4 -46.5 14.3 42.5 23.3
109 109 K H X S+ 0 0 54 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.896 109.9 52.9 -65.3 -38.0 11.6 44.3 25.2
110 110 A H X S+ 0 0 58 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.949 113.9 42.1 -62.7 -45.3 9.4 44.7 22.2
111 111 E H X S+ 0 0 106 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.934 116.6 48.3 -66.2 -44.2 9.5 41.0 21.4
112 112 M H X S+ 0 0 13 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.927 112.1 48.1 -63.0 -45.1 9.1 40.0 25.0
113 113 Q H X S+ 0 0 72 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.912 110.4 52.3 -64.3 -40.2 6.2 42.2 25.6
114 114 K H X S+ 0 0 154 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.932 112.5 44.1 -62.7 -45.2 4.5 41.0 22.5
115 115 F H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.936 115.1 47.1 -65.8 -46.6 4.8 37.4 23.4
116 116 V H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.915 112.5 50.3 -62.6 -41.8 3.8 37.9 27.0
117 117 E H X S+ 0 0 60 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.912 108.4 53.3 -62.7 -40.8 0.8 40.0 26.0
118 118 K H X S+ 0 0 55 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.919 110.8 46.2 -61.0 -44.5 -0.3 37.4 23.5
119 119 I H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.933 112.9 49.2 -64.8 -46.0 -0.2 34.7 26.2
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