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 .
119 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
7032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
98 82.4 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 .
0 0.0 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 .
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 .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
2 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
94 79.0 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 3 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 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 ANTIPARALLEL BRIDGES PER LADDER .
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 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 0 113 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.2 24.5 -8.9 8.2
2 2 V H > + 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.912 360.0 51.6 -62.7 -38.6 21.4 -10.1 9.8
3 3 A H > S+ 0 0 1 2,-0.2 4,-2.5 56,-0.2 -1,-0.2 0.895 108.8 48.4 -60.5 -44.8 21.2 -12.3 6.7
4 4 A H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.928 112.1 49.7 -63.9 -42.7 24.8 -13.6 7.1
5 5 V H X S+ 0 0 100 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.908 113.1 47.8 -61.7 -41.2 24.1 -14.4 10.8
6 6 A H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.898 110.2 50.3 -62.9 -42.8 20.9 -16.2 9.8
7 7 A H X S+ 0 0 9 -4,-2.5 4,-4.3 1,-0.2 -1,-0.2 0.941 115.7 43.4 -60.4 -45.6 22.6 -18.2 7.1
8 8 D H < S+ 0 0 115 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.704 109.9 55.5 -85.9 -17.0 25.3 -19.2 9.5
9 9 Q H < S+ 0 0 85 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.902 122.4 29.1 -61.9 -44.4 22.9 -20.0 12.2
10 10 L H X S+ 0 0 0 -4,-2.4 4,-3.9 3,-0.1 -2,-0.2 0.903 105.7 70.0 -73.2 -51.6 21.1 -22.2 9.9
11 11 V H X S+ 0 0 47 -4,-4.3 4,-1.5 1,-0.3 -3,-0.2 0.817 108.6 31.3 -63.3 -46.9 23.6 -23.7 7.5
12 12 L H > S+ 0 0 124 -4,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.904 118.4 53.1 -67.9 -38.7 25.6 -25.9 9.6
13 13 Q H > S+ 0 0 87 -4,-0.5 4,-7.0 1,-0.2 5,-0.5 0.887 105.8 60.6 -60.2 -39.1 22.8 -26.8 12.1
14 14 L H X S+ 0 0 12 -4,-3.9 4,-2.4 1,-0.2 -1,-0.2 0.941 103.0 46.9 -56.7 -45.2 21.0 -27.7 8.9
15 15 E H X S+ 0 0 141 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.960 125.3 32.3 -57.3 -51.9 23.5 -30.3 8.0
16 16 G H X S+ 0 0 34 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.873 113.8 58.8 -77.4 -37.9 23.4 -31.7 11.6
17 17 D H X S+ 0 0 42 -4,-7.0 4,-1.6 1,-0.2 -1,-0.2 0.955 114.4 39.8 -66.9 -37.1 19.8 -30.9 12.2
18 18 T H X S+ 0 0 20 -4,-2.4 4,-3.0 -5,-0.5 -2,-0.2 0.838 107.3 60.0 -72.1 -34.8 19.1 -33.2 9.2
19 19 G H X S+ 0 0 28 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.943 109.5 47.3 -57.1 -40.7 21.7 -35.9 10.0
20 20 N H X S+ 0 0 85 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.881 110.1 51.4 -64.2 -43.4 19.7 -36.2 13.2
21 21 G H X S+ 0 0 19 -4,-1.6 4,-3.2 -5,-0.2 5,-0.2 0.893 109.1 51.5 -59.2 -42.8 16.4 -36.3 11.3
22 22 D H X S+ 0 0 70 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.920 113.3 43.6 -61.5 -46.9 17.8 -39.0 9.0
23 23 E H X S+ 0 0 131 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.928 115.8 47.8 -66.6 -44.0 18.9 -41.2 12.0
24 24 V H X S+ 0 0 45 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.948 115.1 43.3 -64.7 -44.2 15.8 -40.7 13.9
25 25 S H X S+ 0 0 0 -4,-3.2 4,-1.1 1,-0.2 5,-0.4 0.942 120.9 38.2 -63.7 -47.0 13.5 -41.4 11.0
26 26 E H < S+ 0 0 122 -4,-2.6 3,-0.4 -5,-0.2 4,-0.3 0.910 116.6 50.3 -68.6 -45.5 15.3 -44.4 9.6
27 27 L H < S+ 0 0 148 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.854 102.4 57.9 -63.2 -39.2 16.2 -45.8 12.8
28 28 M H < S- 0 0 48 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.768 122.8-108.9 -58.9 -36.6 12.8 -45.7 14.3
29 29 G < + 0 0 56 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.944 61.1 130.0 106.0 75.0 12.0 -47.8 11.3
30 30 A > - 0 0 20 -5,-0.4 4,-0.7 -4,-0.3 -1,-0.2 -0.998 40.7-159.8-136.4 137.9 10.0 -46.9 8.3
31 31 A H > S+ 0 0 98 -2,-0.3 4,-2.6 2,-0.1 -1,-0.1 0.898 106.3 45.2 -67.9 -46.7 10.0 -46.9 4.5
32 32 E H > S+ 0 0 141 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.890 116.8 44.9 -62.3 -41.4 7.4 -44.2 4.4
33 33 E H > S+ 0 0 16 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.911 110.9 52.2 -63.6 -40.5 9.2 -42.1 7.0
34 34 E H X S+ 0 0 48 -4,-0.7 4,-2.2 -9,-0.2 -2,-0.2 0.970 115.7 44.2 -60.8 -41.7 12.5 -42.6 5.5
35 35 A H X S+ 0 0 60 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.928 117.4 41.6 -65.4 -44.6 10.9 -41.4 2.2
36 36 A H X S+ 0 0 26 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.883 112.6 56.6 -64.8 -41.6 8.9 -38.5 3.7
37 37 A H X S+ 0 0 5 -4,-3.8 4,-2.6 1,-0.2 -1,-0.2 0.900 108.0 47.7 -62.5 -39.2 12.0 -37.7 5.8
38 38 C H X S+ 0 0 66 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.870 109.4 52.0 -60.6 -43.8 13.9 -37.5 2.5
39 39 E H X S+ 0 0 121 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.930 113.2 47.0 -58.6 -44.6 11.2 -35.3 0.9
40 40 E H X S+ 0 0 19 -4,-3.2 4,-3.1 2,-0.2 -2,-0.2 0.887 110.8 49.5 -64.5 -41.3 11.6 -33.1 4.0
41 41 G H X S+ 0 0 12 -4,-2.6 4,-3.7 2,-0.2 5,-0.2 0.908 111.9 50.1 -61.1 -44.2 15.4 -33.0 3.8
42 42 K H X S+ 0 0 146 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.934 114.3 43.4 -62.1 -45.4 15.1 -32.1 0.1
43 43 N H X S+ 0 0 28 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.907 117.7 46.5 -64.8 -41.9 12.6 -29.2 0.9
44 44 N H X S+ 0 0 8 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.945 115.6 46.5 -61.5 -46.7 14.8 -28.1 3.9
45 45 D H X S+ 0 0 60 -4,-3.7 4,-2.5 1,-0.2 -2,-0.2 0.885 111.6 48.7 -66.1 -42.8 18.0 -28.3 1.8
46 46 E H X S+ 0 0 73 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.874 110.9 50.9 -64.1 -40.8 16.7 -26.5 -1.2
47 47 C H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.912 112.6 46.8 -60.0 -45.3 15.3 -23.7 0.9
48 48 V H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.880 109.2 52.4 -64.9 -38.7 18.6 -23.3 2.7
49 49 Q H X S+ 0 0 117 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.847 105.2 56.1 -62.8 -39.1 20.6 -23.4 -0.4
50 50 R H < S+ 0 0 71 -4,-2.0 6,-1.0 2,-0.2 4,-0.4 0.888 109.8 47.9 -59.0 -41.9 18.4 -20.6 -1.9
51 51 M H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 6,-0.5 0.934 113.7 46.3 -60.0 -46.7 19.4 -18.6 1.3
52 52 S H 3< S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.521 84.0 84.4 -77.5 -13.6 23.0 -19.4 0.8
53 53 T T 3< S- 0 0 88 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.1 0.820 101.9-130.9 -45.4 -29.7 23.1 -18.6 -2.9
54 54 T S <> S+ 0 0 92 -3,-1.0 4,-0.9 -4,-0.4 -1,-0.1 -0.092 102.7 86.4 92.7 -15.8 23.6 -15.1 -1.1
55 55 R T >4 S+ 0 0 124 1,-0.2 3,-0.6 2,-0.2 -4,-0.1 0.869 83.9 59.8 -61.2 -37.2 20.9 -13.9 -3.4
56 56 G T 34 S+ 0 0 14 -6,-1.0 7,-0.4 1,-0.2 4,-0.3 0.752 94.4 64.5 -59.7 -38.6 18.9 -15.4 -0.5
57 57 V T 34 S+ 0 0 35 -6,-0.5 2,-0.3 -7,-0.1 -1,-0.2 0.819 76.6 90.4 -60.0 -38.8 20.7 -12.8 1.8
58 58 S S << S+ 0 0 56 -4,-0.9 2,-0.5 -3,-0.6 -4,-0.0 -0.633 93.8 33.8 -72.2 135.4 19.2 -9.8 0.2
59 59 S S S- 0 0 75 -2,-0.3 -56,-0.2 3,-0.1 -2,-0.1 -0.881 77.2-166.7 61.5-128.9 16.3 -9.5 2.2
60 60 S S > S+ 0 0 28 -2,-0.5 4,-2.8 -4,-0.3 5,-0.1 -0.523 85.0 61.8 135.7 -57.5 17.8 -10.7 5.4
61 61 S H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.870 103.4 45.7 -64.8 -44.5 14.2 -11.0 6.7
62 62 A H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 114.2 48.9 -63.3 -41.7 13.1 -13.5 4.2
63 63 A H > S+ 0 0 1 -7,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.910 112.5 49.6 -62.0 -42.2 16.3 -15.5 4.8
64 64 A H X S+ 0 0 19 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.890 110.3 49.5 -62.1 -42.1 15.7 -15.3 8.6
65 65 A H X S+ 0 0 29 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.902 107.8 53.2 -60.4 -46.8 12.2 -16.5 8.2
66 66 L H X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.965 116.2 42.4 -58.2 -46.6 13.3 -19.4 6.0
67 67 A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.915 115.9 44.2 -66.9 -44.9 15.7 -20.2 8.9
68 68 L H X S+ 0 0 75 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.874 111.5 55.4 -67.7 -38.5 13.5 -19.7 11.8
69 69 L H X S+ 0 0 21 -4,-3.5 4,-2.0 -5,-0.2 -1,-0.2 0.932 111.0 45.8 -62.7 -41.4 10.8 -21.5 10.1
70 70 L H X S+ 0 0 1 -4,-2.2 4,-3.0 -5,-0.3 -2,-0.2 0.882 107.8 53.2 -63.7 -40.2 13.0 -24.4 9.7
71 71 L H X S+ 0 0 23 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.880 111.0 48.9 -62.9 -44.2 14.4 -24.6 13.1
72 72 F H X S+ 0 0 122 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.905 112.5 47.9 -63.5 -41.8 10.9 -24.6 14.5
73 73 A H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.908 110.1 52.9 -63.4 -41.0 10.1 -27.4 12.0
74 74 L H X S+ 0 0 17 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.865 107.0 54.1 -64.0 -37.7 13.3 -29.3 13.1
75 75 C H X S+ 0 0 77 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.941 108.9 45.1 -62.1 -43.3 12.1 -29.0 16.6
76 76 F H X S+ 0 0 103 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.895 116.9 47.9 -64.8 -39.7 8.7 -30.6 15.8
77 77 F H X S+ 0 0 15 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.944 111.2 47.0 -64.9 -45.8 10.6 -33.3 13.8
78 78 S H X S+ 0 0 70 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.923 117.6 46.4 -65.6 -42.4 13.2 -34.1 16.4
79 79 F H X S+ 0 0 130 -4,-2.3 4,-3.2 -5,-0.3 -2,-0.2 0.923 108.7 51.6 -65.7 -42.8 10.4 -34.3 19.0
80 80 H H X S+ 0 0 17 -4,-2.6 4,-3.8 1,-0.2 -1,-0.2 0.851 110.8 50.1 -66.8 -31.7 7.9 -36.4 17.1
81 81 F H X S+ 0 0 6 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.923 110.9 45.9 -67.9 -39.8 10.6 -39.0 16.4
82 82 A H X S+ 0 0 47 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.944 120.8 43.6 -62.2 -44.8 11.7 -39.2 19.9
83 83 A H X S+ 0 0 33 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.885 111.2 52.8 -65.8 -41.6 7.9 -39.4 20.7
84 84 A H X S+ 0 0 2 -4,-3.8 4,-2.9 1,-0.2 -1,-0.2 0.869 109.0 47.7 -60.2 -43.5 7.0 -41.7 18.0
85 85 A H < S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.904 112.5 50.1 -62.8 -44.2 9.6 -44.2 18.9
86 86 R H < S+ 0 0 218 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.928 117.5 38.3 -62.2 -45.0 8.6 -44.1 22.5
87 87 A H < S+ 0 0 53 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.947 76.4 179.4 -67.8 -52.0 4.9 -44.5 21.8
88 88 V < + 0 0 93 -4,-2.9 2,-0.2 1,-0.2 -3,-0.1 0.861 34.0 122.6 35.2 56.4 5.0 -47.1 18.9
89 89 P S S- 0 0 62 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 -0.625 79.9-108.9 -93.6 177.2 1.3 -47.5 18.3
90 90 R S > S+ 0 0 179 -2,-0.2 4,-1.9 2,-0.2 5,-0.2 0.537 120.6 68.1 -60.4 -25.2 -0.4 -46.8 15.0
91 91 D H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.930 94.0 49.8 -60.4 -40.1 -1.6 -43.9 16.9
92 92 E H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.839 110.8 54.7 -69.0 -28.4 1.7 -42.3 17.2
93 93 H H > S+ 0 0 55 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.889 103.3 50.9 -63.0 -41.8 1.9 -42.8 13.4
94 94 Q H X S+ 0 0 123 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.926 116.5 45.0 -59.0 -44.5 -1.3 -41.1 12.6
95 95 E H X S+ 0 0 116 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.867 110.3 50.0 -67.8 -43.4 0.0 -38.2 14.7
96 96 N H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.887 112.5 50.8 -61.3 -42.7 3.4 -38.2 13.3
97 97 G H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.964 113.0 47.0 -60.2 -46.9 1.7 -38.2 9.7
98 98 G H X S+ 0 0 34 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.845 110.3 46.6 -64.8 -43.7 -0.4 -35.4 10.6
99 99 V H X S+ 0 0 34 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.878 114.2 52.1 -68.9 -35.4 2.1 -33.1 12.2
100 100 K H X S+ 0 0 15 -4,-2.3 4,-3.2 -5,-0.2 -2,-0.2 0.937 109.4 47.1 -63.5 -42.9 4.4 -33.8 9.2
101 101 R H X S+ 0 0 144 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.911 113.5 48.8 -62.7 -43.9 1.8 -32.9 6.7
102 102 L H X S+ 0 0 111 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.924 116.5 43.0 -61.9 -46.2 0.9 -29.8 8.6
103 103 L H X S+ 0 0 15 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.875 110.0 54.7 -68.0 -38.9 4.6 -28.7 8.9
104 104 S H X S+ 0 0 27 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.959 111.6 46.3 -64.6 -39.9 5.5 -29.6 5.4
105 105 D H X S+ 0 0 84 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.858 110.8 49.5 -64.7 -40.4 2.8 -27.4 4.3
106 106 A H X S+ 0 0 25 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.913 113.4 51.1 -61.6 -40.7 3.7 -24.5 6.7
107 107 H H X S+ 0 0 8 -4,-3.3 4,-3.0 2,-0.2 -2,-0.2 0.918 111.4 43.7 -59.2 -46.5 7.1 -24.9 5.3
108 108 L H X S+ 0 0 26 -4,-2.5 4,-3.4 2,-0.2 5,-0.4 0.855 109.7 58.2 -63.3 -39.4 6.0 -24.9 1.7
109 109 D H X S+ 0 0 102 -4,-3.2 4,-2.6 1,-0.2 5,-0.4 0.948 112.9 42.2 -58.9 -47.0 3.7 -21.9 2.5
110 110 Y H X S+ 0 0 109 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.950 116.2 42.9 -62.8 -49.0 6.9 -20.2 3.7
111 111 I H X S+ 0 0 9 -4,-3.0 4,-3.9 1,-0.2 5,-0.2 0.977 120.3 45.1 -64.8 -44.8 9.3 -21.1 1.0
112 112 Y H X S+ 0 0 117 -4,-3.4 4,-3.3 1,-0.2 -1,-0.2 0.916 118.0 40.3 -69.8 -44.9 6.7 -20.5 -1.7
113 113 T H X S+ 0 0 76 -4,-2.6 4,-2.8 -5,-0.4 -1,-0.2 0.920 119.9 44.3 -68.6 -43.3 5.4 -17.2 -0.3
114 114 Q H X S+ 0 0 22 -4,-2.7 4,-2.6 -5,-0.4 -2,-0.2 0.918 115.5 48.4 -67.9 -38.3 8.6 -15.9 0.6
115 115 H H < S+ 0 0 65 -4,-3.9 -2,-0.2 -5,-0.4 -1,-0.2 0.921 112.9 47.8 -62.3 -45.5 10.1 -17.1 -2.7
116 116 K H < S+ 0 0 158 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.875 111.4 50.5 -63.3 -38.6 7.3 -15.6 -4.7
117 117 N H < S+ 0 0 127 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.930 113.9 48.5 -60.2 -43.4 7.7 -12.3 -2.6
118 118 K < 0 0 56 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.795 360.0 360.0 -68.2 -41.2 11.5 -12.4 -3.5
119 119 P 0 0 99 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.252 360.0 360.0 -65.6 360.0 11.5 -13.1 -7.3