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 .
133 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
6631.1 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
69 51.9 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 .
4 3.0 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 .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
1 0.8 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 .
7 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
49 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
2 1.5 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 0 1 0 0 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 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 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 AUTHCHAIN
1 1 M 0 0 103 0, 0.0 4,-0.2 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 158.9 -12.9 -5.5 -13.9
2 2 E + 0 0 101 2,-0.2 2,-0.2 1,-0.2 6,-0.0 0.313 360.0 40.0 -92.3 7.5 -14.5 -5.6 -10.7
3 3 G S S- 0 0 62 4,-0.0 -1,-0.2 41,-0.0 4,-0.1 -0.792 136.5 -74.4-120.9 146.5 -12.5 -8.4 -9.8
4 4 K S S+ 0 0 99 -2,-0.2 -2,-0.2 35,-0.1 4,-0.1 0.499 85.6 103.5 -80.4 155.7 -9.7 -7.1 -11.3
5 5 T S S- 0 0 73 2,-0.5 -1,-0.1 -4,-0.2 90,-0.1 -0.087 91.8 -25.7-150.7 -74.1 -8.5 -6.6 -14.7
6 6 V S > S+ 0 0 30 86,-0.1 4,-0.7 88,-0.1 3,-0.5 0.778 105.9 80.6-105.0 -49.1 -8.6 -3.3 -16.4
7 7 I T 4 S+ 0 0 28 1,-0.2 -2,-0.5 3,-0.1 35,-0.1 -0.226 83.7 20.5 -70.7 148.1 -11.3 -1.2 -14.8
8 8 L T 4 S+ 0 0 8 1,-0.3 -1,-0.2 124,-0.2 6,-0.0 0.270 107.1 62.9 80.8 12.2 -11.2 0.8 -11.6
9 9 G T > S+ 0 0 0 -3,-0.5 4,-0.9 32,-0.1 -1,-0.3 0.533 127.3 22.5 -71.8 -66.8 -7.8 1.4 -10.7
10 10 V T < S+ 0 0 0 -4,-0.7 -3,-0.1 2,-0.2 104,-0.1 0.827 130.1 45.1 -62.9 -38.4 -7.8 3.3 -13.9
11 11 I T 4 S+ 0 0 1 1,-0.2 120,-0.8 -5,-0.2 3,-0.2 0.861 108.1 55.7 -80.8 -31.1 -11.6 4.0 -14.2
12 12 I T 4 S- 0 0 17 1,-0.3 118,-0.7 118,-0.2 -1,-0.2 0.713 146.2 -52.6 -70.4 -25.1 -12.0 5.0 -10.6
13 13 M < - 0 0 0 -4,-0.9 5,-0.3 1,-0.1 -1,-0.3 -0.506 63.4 -85.5 169.5 171.3 -9.4 7.1 -12.1
14 14 S S S- 0 0 1 96,-0.4 -1,-0.1 -3,-0.2 -3,-0.1 0.813 79.1 -58.7 -62.0 -48.8 -6.3 6.8 -14.1
15 15 L S > S- 0 0 12 4,-0.1 4,-1.0 -5,-0.1 5,-0.1 0.046 110.6 -10.0-148.1 -97.3 -3.3 6.3 -11.7
16 16 V T 4 S+ 0 0 10 2,-0.2 -2,-0.1 1,-0.2 5,-0.0 0.180 135.3 63.7 -94.1 16.0 -2.0 8.3 -8.9
17 17 M T 4 S+ 0 0 30 3,-0.1 4,-0.4 -4,-0.1 -3,-0.2 0.765 97.2 55.8 -64.2 -41.0 -4.5 10.6 -10.5
18 18 A T 4 S+ 0 0 1 -5,-0.3 -2,-0.2 2,-0.1 -4,-0.1 0.835 133.8 2.2 -60.5 -43.2 -6.8 7.9 -9.4
19 19 Q S < S+ 0 0 1 -4,-1.0 2,-5.8 3,-0.1 -3,-0.1 0.260 85.5 108.2-109.6-118.0 -5.7 8.3 -5.9
20 20 N S S- 0 0 64 6,-0.1 2,-0.2 -5,-0.1 -3,-0.1 0.001 116.8 -9.6 60.6 -50.9 -3.0 11.0 -5.3
21 21 Q + 0 0 20 -2,-5.8 100,-0.1 -4,-0.4 4,-0.1 -0.624 69.8 125.4-155.5 150.1 -6.4 11.8 -3.9
22 22 V S S+ 0 0 33 -2,-0.2 105,-0.2 105,-0.1 -3,-0.1 -0.255 122.6 1.3 -93.8 -3.7 -9.9 10.8 -3.8
23 23 E S S- 0 0 73 1,-0.2 37,-0.0 36,-0.1 35,-0.0 0.322 116.5 -69.8-118.1-111.5 -8.7 11.1 -0.2
24 24 A S S- 0 0 30 35,-0.1 2,-0.4 37,-0.1 36,-0.2 0.373 90.1 -23.5-113.0 -99.8 -5.3 12.2 0.7
25 25 K E -A 59 0A 32 34,-2.5 34,-2.7 -4,-0.1 2,-0.5 -0.961 44.6-146.5-127.6 124.0 -2.6 9.8 0.0
26 26 I E -A 58 0A 1 -2,-0.4 2,-0.6 32,-0.2 32,-0.2 -0.711 19.0-165.8 -72.7 125.0 -2.4 6.2 -0.5
27 27 C E +A 57 0A 0 30,-2.5 30,-1.6 -2,-0.5 42,-0.1 -0.920 13.8 168.1-121.7 106.1 0.8 4.9 0.8
28 28 C - 0 0 0 -2,-0.6 42,-1.9 28,-0.2 28,-0.2 -0.888 32.3-138.8-108.2 138.2 1.7 1.3 -0.3
29 29 P S S+ 0 0 13 0, 0.0 2,-0.2 0, 0.0 40,-0.1 0.956 79.8 6.1 -59.9 -46.9 5.0 -0.4 0.1
30 30 R S > S- 0 0 127 25,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.792 77.9-103.0-135.5 169.8 5.5 -2.2 -3.2
31 31 T H > S+ 0 0 33 -2,-0.2 4,-4.1 1,-0.2 5,-0.2 0.881 125.7 57.2 -64.9 -34.2 3.6 -2.3 -6.5
32 32 I H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 103.9 50.8 -60.2 -42.7 2.3 -5.7 -5.2
33 33 D H > S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.935 121.4 35.0 -58.3 -45.2 0.9 -4.0 -2.1
34 34 R H X S+ 0 0 9 -4,-1.9 4,-3.5 2,-0.3 -2,-0.2 0.812 105.6 63.2 -77.6 -35.9 -0.8 -1.4 -4.3
35 35 N H X S+ 0 0 25 -4,-4.1 4,-2.1 1,-0.2 -1,-0.2 0.883 111.8 46.1 -62.4 -38.9 -1.7 -3.7 -7.2
36 36 I H X S+ 0 0 65 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.3 0.876 111.8 45.9 -63.6 -43.8 -3.8 -5.3 -4.3
37 37 Y H X S+ 0 0 4 -4,-1.5 4,-3.3 2,-0.2 -2,-0.2 0.954 115.1 50.9 -64.8 -39.9 -5.4 -2.1 -2.7
38 38 N H X S+ 0 0 13 -4,-3.5 4,-1.9 1,-0.3 -2,-0.2 0.930 113.7 43.6 -65.8 -42.5 -6.1 -1.1 -6.3
39 39 A H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.879 112.7 51.7 -62.2 -40.4 -7.7 -4.4 -6.9
40 40 C H X>S+ 0 0 15 -4,-3.1 4,-1.5 2,-0.2 5,-0.6 0.885 105.0 56.6 -63.3 -38.5 -9.5 -4.3 -3.6
41 41 R H X5S+ 0 0 60 -4,-3.3 4,-0.8 1,-0.2 3,-0.3 0.957 113.4 41.2 -58.6 -47.2 -10.9 -0.9 -4.4
42 42 L H <5S+ 0 0 4 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.785 106.2 58.2 -73.1 -31.8 -12.4 -2.3 -7.5
43 43 T H <5S- 0 0 79 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.820 131.5 -86.9 -64.2 -25.5 -13.7 -5.7 -6.2
44 44 G H <5S+ 0 0 66 -4,-1.5 2,-0.3 -3,-0.3 -3,-0.2 0.777 78.5 132.7 114.7 78.3 -15.6 -3.5 -3.9
45 45 A << - 0 0 24 -4,-0.8 -1,-0.2 -5,-0.6 2,-0.1 -0.944 53.1-105.1-134.8 155.6 -14.0 -2.4 -0.7
46 46 S > - 0 0 53 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.364 38.6-112.6 -72.3 161.8 -13.4 0.7 1.3
47 47 M H > S+ 0 0 15 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.854 115.5 55.1 -62.2 -39.4 -10.0 2.2 1.2
48 48 T H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 111.0 46.3 -65.8 -40.0 -9.2 1.5 4.7
49 49 N H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 111.8 51.9 -63.4 -40.7 -10.0 -2.1 4.1
50 50 C H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.863 106.1 53.6 -63.8 -39.1 -8.0 -2.0 1.0
51 51 A H X>S+ 0 0 4 -4,-3.3 4,-2.9 1,-0.2 5,-2.4 0.929 112.3 47.0 -59.1 -44.7 -5.0 -0.5 2.9
52 52 N H <5S+ 0 0 123 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 112.6 44.4 -64.4 -44.0 -5.2 -3.4 5.2
53 53 L H <5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.912 122.6 40.1 -61.6 -46.1 -5.6 -6.1 2.8
54 54 S H <5S- 0 0 7 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.774 110.2-109.9 -65.9 -44.5 -2.7 -4.5 0.6
55 55 G T <5S+ 0 0 19 -4,-2.9 2,-0.2 1,-0.3 -25,-0.2 0.787 76.4 131.2 81.9 51.7 -0.3 -3.4 3.2
56 56 C < - 0 0 4 -5,-2.4 -1,-0.3 -28,-0.2 2,-0.3 -0.631 39.1-162.6-105.3 172.2 -1.0 0.3 2.5
57 57 K E -A 27 0A 100 -30,-1.6 -30,-2.5 -2,-0.2 2,-0.4 -0.755 20.6-120.5-134.4 179.2 -1.8 3.0 5.1
58 58 I E +A 26 0A 64 -2,-0.3 2,-0.3 -32,-0.2 -32,-0.2 -0.994 30.8 178.4-130.8 129.4 -3.4 6.2 4.4
59 59 V E -A 25 0A 24 -34,-2.7 -34,-2.5 -2,-0.4 -35,-0.1 -0.934 34.4-138.5-135.5 150.1 -1.9 9.5 5.2
60 60 S S S+ 0 0 122 -2,-0.3 -1,-0.1 -36,-0.2 2,-0.1 0.889 85.6 66.8 -61.9 -46.2 -2.7 13.0 4.7
61 61 G S S- 0 0 39 2,-0.1 -2,-0.1 -36,-0.1 -36,-0.1 -0.355 80.7-121.3 -79.9 153.2 0.8 14.0 3.6
62 62 T S S+ 0 0 127 -2,-0.1 2,-0.7 2,-0.1 -3,-0.1 0.849 86.6 75.0 -64.3 -41.9 2.9 13.2 0.6
63 63 T S S- 0 0 129 1,-0.1 -2,-0.1 -36,-0.0 6,-0.1 -0.719 79.3-142.7 -93.9 123.2 6.1 11.5 1.8
64 64 C - 0 0 23 -2,-0.7 5,-0.2 1,-0.2 -2,-0.1 -0.026 24.6 -81.5 -92.8 176.9 5.1 8.2 2.7
65 65 P > - 0 0 42 0, 0.0 3,-4.7 0, 0.0 -1,-0.2 -0.594 38.9-123.0 -96.3 126.7 6.2 6.1 5.5
66 66 P G > S+ 0 0 114 0, 0.0 3,-0.6 0, 0.0 -2,-0.1 0.793 116.5 47.6 -54.8 -27.1 9.6 4.3 4.7
67 67 G G 3 S+ 0 0 57 1,-0.3 2,-0.0 2,-0.1 3,-0.0 0.418 122.1 34.6 -87.7 -1.2 7.8 1.0 5.4
68 68 Y G < S+ 0 0 70 -3,-4.7 -1,-0.3 -40,-0.2 -11,-0.1 -0.663 85.1 138.1-149.8 69.2 4.9 2.0 3.3
69 69 T < - 0 0 34 -3,-0.6 2,-2.7 -5,-0.2 -5,-0.1 0.244 52.4-141.2-125.5 7.8 7.1 4.0 0.7
70 70 H - 0 0 8 -42,-1.9 -36,-0.1 1,-0.2 3,-0.1 -0.315 19.3-168.2 83.8 -51.8 5.5 3.0 -2.4
71 71 D + 0 0 72 -2,-2.7 -1,-0.2 1,-0.3 -40,-0.1 0.503 64.5 53.0 65.1 9.9 8.7 2.8 -4.3
72 72 I S S+ 0 0 47 -42,-0.1 2,-1.5 -41,-0.0 -1,-0.3 0.631 83.0 65.1-123.5 -47.2 7.3 2.5 -7.8
73 73 L S S+ 0 0 9 -3,-0.1 2,-0.3 15,-0.1 10,-0.1 -0.155 84.1 110.3-100.1 38.6 5.0 5.0 -9.0
74 74 Q + 0 0 88 -2,-1.5 12,-0.0 9,-0.1 -4,-0.0 -0.766 36.8 49.3-128.9 150.9 7.4 7.9 -8.9
75 75 N - 0 0 110 -2,-0.3 2,-0.3 11,-0.0 11,-0.2 0.459 69.0-102.0 82.7 152.3 9.4 10.2 -11.1
76 76 Y + 0 0 191 6,-0.1 2,-0.1 7,-0.0 4,-0.1 -0.782 48.1 69.7-146.7 140.3 8.0 12.1 -13.9
77 77 G S S+ 0 0 23 -2,-0.3 5,-0.2 0, 0.0 0, 0.0 -0.049 94.4 35.1 154.0 163.7 6.8 13.6 -16.9
78 78 D S >> S- 0 0 123 3,-0.1 3,-1.8 -2,-0.1 4,-0.8 0.849 106.9-158.2 54.4 44.4 4.4 13.0 -19.7
79 79 A H 3> + 0 0 46 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.434 66.2 43.8 -62.0 -40.3 3.7 11.9 -16.1
80 80 V H 3> S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.936 119.0 49.5 -62.4 -41.8 1.1 9.1 -16.0
81 81 N H <> S+ 0 0 38 -3,-1.8 4,-2.9 2,-0.2 6,-0.2 0.879 110.1 48.7 -63.9 -38.3 3.0 7.6 -18.8
82 82 E H X S+ 0 0 58 -4,-0.8 4,-3.2 1,-0.2 -1,-0.2 0.915 112.3 49.0 -62.9 -43.4 6.3 7.9 -17.0
83 83 Y H X S+ 0 0 47 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.933 112.4 50.0 -60.8 -43.7 4.9 6.5 -14.0
84 84 C H X S+ 0 0 16 -4,-2.6 4,-1.3 3,-0.2 5,-0.5 0.872 113.7 43.4 -59.2 -45.7 3.4 3.6 -16.2
85 85 K H < S+ 0 0 164 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.870 104.7 60.0 -65.9 -42.9 6.7 2.9 -17.9
86 86 L H < S- 0 0 85 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.598 138.8 -90.3 -73.4 -7.0 8.6 3.1 -14.7
87 87 G H < + 0 0 25 -4,-0.6 -2,-0.2 -6,-0.2 -3,-0.2 0.909 59.8 172.7 117.7 71.4 6.1 0.4 -14.4
88 88 C < - 0 0 4 -4,-1.3 4,-0.2 -7,-0.1 -4,-0.1 0.793 68.9-104.0 -63.7 -39.9 2.6 0.6 -13.2
89 89 A > - 0 0 14 -5,-0.5 2,-4.1 2,-0.2 4,-1.6 0.417 19.2 -68.7 149.3 144.0 2.4 -2.8 -14.2
90 90 S T 4 S+ 0 0 139 2,-0.2 4,-0.1 1,-0.2 -1,-0.0 0.073 117.3 41.1 66.6 -29.7 1.5 -5.7 -16.3
91 91 S T 4 S+ 0 0 23 -2,-4.1 4,-0.2 2,-0.4 -2,-0.2 0.547 117.7 16.1-148.8-124.4 -1.9 -5.1 -15.3
92 92 V T 4 S+ 0 0 7 -4,-0.2 2,-0.3 2,-0.2 -2,-0.2 0.082 121.8 63.3 -85.1 13.1 -4.1 -1.9 -14.9
93 93 C S < S+ 0 0 5 -4,-1.6 -2,-0.4 3,-0.2 -4,-0.0 -0.901 96.4 48.0-125.5 138.0 -1.4 -0.2 -16.9
94 94 G S S+ 0 0 45 -2,-0.3 -2,-0.2 -4,-0.1 -4,-0.1 -0.071 125.8 39.0 92.0 -16.8 -1.6 -1.9 -20.2
95 95 A S S+ 0 0 4 -4,-0.2 -85,-0.2 -89,-0.1 -3,-0.1 -0.192 103.2 62.6-124.4 38.4 -5.1 -1.1 -19.3
96 96 L S > S+ 0 0 0 -5,-0.1 4,-1.4 -86,-0.1 -3,-0.2 0.562 121.4 31.1 -84.8 -43.4 -4.3 2.3 -17.9
97 97 T H > S+ 0 0 36 2,-0.3 4,-4.2 3,-0.2 5,-0.2 0.801 112.6 58.5 -61.5 -39.2 -3.2 2.6 -21.5
98 98 T H > S+ 0 0 59 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.950 110.6 50.8 -58.1 -35.1 -5.8 0.2 -22.9
99 99 L H 4 S+ 0 0 0 2,-0.2 12,-0.4 1,-0.2 -2,-0.3 0.827 114.9 38.1 -59.9 -45.9 -8.0 2.9 -21.2
100 100 K H < S+ 0 0 60 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.881 123.3 46.9 -64.6 -39.8 -6.2 5.8 -22.9
101 101 N H < S+ 0 0 126 -4,-4.2 -2,-0.2 -5,-0.1 2,-0.2 0.658 101.5 69.9 -94.6 -16.5 -6.0 3.8 -26.0
102 102 S < - 0 0 20 -4,-3.2 2,-0.4 -5,-0.2 -7,-0.0 -0.529 64.3-143.2 -59.7 140.6 -9.5 2.4 -26.4
103 103 M + 0 0 189 -2,-0.2 2,-0.3 5,-0.0 -4,-0.1 -0.919 47.5 144.8 -92.1 102.9 -12.7 4.0 -27.2
104 104 Q > - 0 0 90 -2,-0.4 4,-0.9 -5,-0.2 5,-0.2 -0.643 60.1-123.4 -77.4 157.5 -14.6 1.8 -24.9
105 105 V H > S+ 0 0 134 -2,-0.3 4,-2.2 3,-0.2 5,-0.1 0.989 107.7 34.8 -63.8 -47.8 -17.3 4.3 -23.7
106 106 N H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.851 116.1 47.4 -81.9 -46.8 -16.3 3.7 -20.2
107 107 C H > S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.933 120.7 44.0 -63.0 -41.6 -12.5 3.1 -20.3
108 108 E H X S+ 0 0 57 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.859 107.5 55.5 -74.1 -36.8 -12.3 6.3 -22.5
109 109 G H X S+ 0 0 19 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.885 106.4 55.5 -62.9 -33.5 -14.7 8.4 -20.5
110 110 A H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -96,-0.4 0.868 102.5 52.4 -62.5 -39.9 -12.4 7.6 -17.6
111 111 V H X S+ 0 0 25 -4,-1.3 4,-1.7 -12,-0.4 5,-0.2 0.914 114.1 48.2 -57.4 -43.2 -9.3 9.0 -19.5
112 112 S H X S+ 0 0 44 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.944 115.2 41.1 -63.9 -45.9 -11.4 12.0 -20.0
113 113 Q H X S+ 0 0 80 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.857 113.4 51.6 -68.3 -39.5 -12.5 12.3 -16.4
114 114 C H X S+ 0 0 2 -4,-3.0 4,-3.3 2,-0.2 5,-0.2 0.870 105.7 53.6 -71.8 -34.9 -9.2 11.5 -14.8
115 115 T H X S+ 0 0 63 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.942 116.5 40.3 -62.7 -43.7 -7.3 14.0 -16.7
116 116 N H X S+ 0 0 84 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.884 114.4 55.3 -65.7 -39.8 -9.8 16.6 -15.6
117 117 A H X S+ 0 0 1 -4,-2.7 4,-4.5 2,-0.3 5,-0.4 0.849 101.6 55.2 -62.6 -41.6 -9.8 14.9 -12.2
118 118 C H X S+ 0 0 33 -4,-3.3 4,-2.8 2,-0.2 -1,-0.2 0.966 109.8 48.6 -57.4 -47.7 -6.0 15.3 -11.9
119 119 S H X S+ 0 0 74 -4,-1.8 4,-1.0 -5,-0.2 -2,-0.3 0.932 120.5 35.6 -58.3 -46.8 -6.7 18.9 -12.5
120 120 N H X S+ 0 0 71 -4,-2.7 4,-1.9 2,-0.2 3,-0.3 0.898 118.6 50.3 -64.0 -44.6 -9.5 18.9 -9.8
121 121 F H < S+ 0 0 2 -4,-4.5 -3,-0.2 1,-0.2 -2,-0.2 0.896 113.6 45.6 -66.3 -44.1 -7.9 16.5 -7.4
122 122 C H < S+ 0 0 64 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.488 108.8 50.4 -94.7 -8.4 -4.6 18.3 -7.4
123 123 T H < S- 0 0 110 -4,-1.0 2,-0.3 -3,-0.3 -1,-0.2 0.679 128.9 -12.8 -72.9 -33.9 -5.7 21.8 -7.0
124 124 K < - 0 0 124 -4,-1.9 -1,-0.2 2,-0.3 -103,-0.0 -1.000 65.8 -97.5-163.5 177.1 -7.8 20.6 -4.0
125 125 G S S+ 0 0 72 -2,-0.3 2,-0.8 -3,-0.1 -4,-0.1 0.478 92.3 102.2 -83.4 3.2 -9.4 17.8 -1.9
126 126 S + 0 0 57 -6,-0.2 2,-0.4 -5,-0.1 -2,-0.3 -0.851 58.2 176.9 -72.0 118.2 -12.4 18.5 -3.7
127 127 A - 0 0 35 -2,-0.8 2,-0.4 -105,-0.2 -105,-0.1 -0.964 24.3-165.5-128.8 127.1 -12.3 15.6 -6.1
128 128 K - 0 0 145 -2,-0.4 -8,-0.1 -11,-0.1 -7,-0.1 -0.995 25.8-154.4-120.6 124.2 -14.8 14.6 -8.7
129 129 V - 0 0 74 -2,-0.4 -116,-0.1 1,-0.1 -117,-0.1 -0.046 15.3-109.0-106.2 178.7 -14.1 11.1 -9.8
130 130 V - 0 0 13 -118,-0.7 2,-0.3 1,-0.2 -118,-0.2 0.938 57.3 -78.4 -69.5 -83.6 -14.8 9.1 -13.0
131 131 E - 0 0 86 -120,-0.8 -1,-0.2 1,-0.1 -123,-0.1 -0.873 34.6-102.3-174.0 152.3 -17.4 6.4 -12.7
132 132 T 0 0 96 1,-0.3 -124,-0.2 -2,-0.3 -120,-0.1 0.934 360.0 360.0 -62.9 -41.2 -17.2 3.1 -11.2
133 133 A 0 0 39 -122,-0.1 -1,-0.3 -126,-0.1 -26,-0.1 -0.977 360.0 360.0-153.0 360.0 -17.0 2.3 -15.1