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 .
127 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
6858.3 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
76 59.8 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 .
5 3.9 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 .
1 0.8 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 .
10 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
8 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
47 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
4 3.1 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 1 1 0 0 3 0 0 1 0 0 0 0 0 1 0 0 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 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 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 29 0, 0.0 104,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 177.5 26.1 7.1 30.4
2 2 V - 0 0 58 102,-0.2 2,-0.8 1,-0.1 89,-0.1 0.383 360.0 -6.7-116.4 -94.4 25.9 10.3 32.4
3 3 C S S- 0 0 12 102,-0.2 80,-0.3 1,-0.2 5,-0.2 -0.938 100.5-145.5 -95.1 116.1 26.2 13.1 30.1
4 4 L - 0 0 10 -2,-0.8 -1,-0.2 78,-0.5 4,-0.1 0.735 47.7 -15.2 -65.2 -46.0 27.0 10.7 27.3
5 5 L S >>S+ 0 0 6 77,-0.3 4,-3.3 3,-0.1 5,-0.6 0.825 120.1 50.7-134.9 -53.2 29.4 11.6 24.7
6 6 I H >5S+ 0 0 13 1,-0.2 4,-1.2 75,-0.2 7,-0.2 0.957 110.6 62.9 -56.1 -46.4 30.6 15.1 24.0
7 7 L H >5S+ 0 0 0 1,-0.2 4,-0.6 74,-0.2 -1,-0.2 0.785 126.2 2.0 -56.4 -41.0 31.3 15.0 27.7
8 8 G H 45S+ 0 0 0 -5,-0.2 116,-0.4 2,-0.2 115,-0.3 0.636 109.1 78.6-120.8 -12.9 33.7 12.3 27.7
9 9 L H <5S- 0 0 1 -4,-3.3 -3,-0.2 118,-0.2 118,-0.1 0.929 136.1 -66.4 -59.6 -31.7 34.5 11.1 24.2
10 10 V H >X< - 0 0 1 -4,-1.2 3,-3.3 -5,-0.6 4,-1.0 0.156 58.4-112.9 149.2 101.9 36.4 14.3 24.6
11 11 L T 3< S- 0 0 1 -4,-0.6 -4,-0.1 1,-0.3 111,-0.1 -0.295 94.2 -16.1 -63.3 119.4 34.2 17.2 25.0
12 12 E T 34 S+ 0 0 47 1,-0.1 -1,-0.3 109,-0.1 110,-0.1 0.892 116.5 93.4 54.1 41.5 34.9 19.1 21.9
13 13 H T <> S+ 0 0 67 -3,-3.3 4,-1.6 -7,-0.2 -2,-0.2 0.549 87.5 39.5-120.8 -31.4 38.1 17.5 20.9
14 14 V H X S+ 0 0 0 -4,-1.0 4,-3.4 2,-0.2 -3,-0.1 0.903 116.2 57.5 -57.1 -42.7 36.9 14.5 18.4
15 15 Q H 4 S+ 0 0 0 -5,-0.4 -1,-0.2 1,-0.2 -4,-0.1 0.911 113.7 36.4 -58.1 -45.9 34.5 17.2 17.2
16 16 V H 4 S+ 0 0 79 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.621 112.3 56.3 -95.9 -5.6 37.5 19.4 16.4
17 17 E H < S- 0 0 116 -4,-1.6 2,-0.3 1,-0.4 -2,-0.2 0.869 137.5 -14.9 -64.1 -42.7 39.8 16.6 15.3
18 18 G < - 0 0 5 -4,-3.4 2,-0.9 -5,-0.1 -1,-0.4 -0.964 69.1-120.6-160.5 153.5 37.0 16.1 12.9
19 19 K E -A 52 0A 12 33,-2.3 33,-2.7 -2,-0.3 2,-0.4 -0.847 31.3-170.5-104.1 105.9 33.4 17.2 12.5
20 20 S E -A 51 0A 0 -2,-0.9 2,-0.4 31,-0.2 31,-0.2 -0.756 2.9-173.5 -90.5 138.8 31.1 14.3 12.5
21 21 C E -A 50 0A 0 29,-2.5 29,-2.6 -2,-0.4 2,-0.3 -0.943 2.1-174.1-128.4 150.3 27.6 14.7 11.6
22 22 C E -A 49 0A 0 -2,-0.4 27,-0.2 27,-0.3 42,-0.1 -0.948 30.9-142.7-138.5 160.7 24.6 12.3 11.6
23 23 R S S+ 0 0 164 25,-2.0 2,-0.3 -2,-0.3 26,-0.1 0.347 93.4 52.9-103.9 7.1 20.9 12.1 10.7
24 24 S S >> S- 0 0 19 24,-0.3 4,-1.3 1,-0.1 3,-0.7 -0.990 74.3-141.0-129.4 139.0 20.1 10.0 13.7
25 25 T H 3> S+ 0 0 51 -2,-0.3 4,-1.3 1,-0.3 3,-0.3 0.892 112.0 52.0 -62.6 -40.1 20.8 10.9 17.3
26 26 L H 3> S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.766 98.7 68.5 -64.9 -19.5 21.6 7.4 17.8
27 27 G H <> S+ 0 0 1 -3,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.923 99.9 45.7 -64.6 -42.9 23.9 7.6 14.8
28 28 R H X S+ 0 0 5 -4,-1.3 4,-2.8 -3,-0.3 5,-0.3 0.874 106.4 59.3 -65.7 -36.4 26.3 9.8 16.6
29 29 N H X S+ 0 0 19 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.932 112.2 43.7 -57.1 -43.2 26.2 7.5 19.6
30 30 C H X S+ 0 0 41 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.929 112.1 48.7 -62.5 -49.4 27.4 4.9 17.2
31 31 Y H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.920 110.5 52.4 -62.7 -43.3 30.0 7.0 15.4
32 32 N H X S+ 0 0 1 -4,-2.8 4,-1.0 1,-0.2 -1,-0.3 0.929 117.5 39.4 -57.0 -44.7 31.5 8.1 18.6
33 33 L H < S+ 0 0 28 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.482 113.5 47.3-112.3 -3.0 31.7 4.5 19.7
34 34 C H >< S+ 0 0 43 -4,-2.7 3,-1.0 3,-0.1 -1,-0.2 0.719 111.1 63.9 -60.8 -44.1 32.8 2.6 16.6
35 35 R H 3< S+ 0 0 25 -4,-2.4 -2,-0.2 -5,-0.4 -3,-0.1 0.641 86.5 58.6 -74.0 -15.2 35.3 5.5 16.5
36 36 V T 3< S+ 0 0 51 -4,-1.0 -1,-0.3 90,-0.1 -3,-0.1 0.923 127.0 32.6 -58.4 -42.5 37.4 4.9 19.8
37 37 R S < S+ 0 0 117 -3,-1.0 6,-0.1 -5,-0.2 -3,-0.1 -0.260 114.2 0.3 -81.0 173.3 37.7 1.7 17.6
38 38 G S S- 0 0 89 1,-0.1 2,-0.5 -2,-0.1 -4,-0.0 0.276 95.3 -27.9 69.2-159.3 37.8 1.0 13.9
39 39 A > - 0 0 48 1,-0.1 4,-3.1 2,-0.0 5,-0.2 -0.947 43.5-137.5-129.0 137.1 37.6 3.2 11.0
40 40 Q H > S+ 0 0 73 -2,-0.5 4,-2.6 2,-0.3 -1,-0.1 0.812 100.5 43.6 -62.5 -45.9 35.9 6.4 10.8
41 41 K H > S+ 0 0 165 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 118.5 49.5 -62.1 -40.4 34.1 6.4 7.4
42 42 L H > S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 -2,-0.3 0.872 109.2 49.0 -62.3 -41.3 33.1 2.9 8.3
43 43 C H X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.940 113.5 51.7 -59.1 -44.8 31.9 4.0 11.5
44 44 A H X>S+ 0 0 2 -4,-2.6 5,-3.8 1,-0.2 4,-2.0 0.878 107.2 46.8 -60.8 -47.8 30.1 6.7 9.7
45 45 N H <5S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.926 112.1 53.6 -61.6 -44.9 28.3 4.7 7.1
46 46 A H <5S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 115.6 36.5 -60.9 -45.7 27.1 2.2 9.7
47 47 C H <5S- 0 0 5 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.872 116.4 -99.9 -63.7 -45.9 25.6 4.9 12.1
48 48 R T <5S+ 0 0 130 -4,-2.0 -25,-2.0 1,-0.2 2,-0.3 0.414 79.8 144.1 101.1 37.8 24.1 7.3 9.4
49 49 C E < -A 22 0A 6 -5,-3.8 2,-0.4 -27,-0.2 -27,-0.3 -0.860 38.7-161.3-111.3 142.8 27.2 9.6 10.0
50 50 K E -A 21 0A 106 -29,-2.6 -29,-2.5 -2,-0.3 2,-0.6 -0.960 15.1-140.6-117.2 133.3 29.3 11.8 7.6
51 51 L E +A 20 0A 74 -2,-0.4 2,-0.3 -31,-0.2 -31,-0.2 -0.878 32.1 161.4-100.4 127.3 32.8 13.0 8.5
52 52 T E -A 19 0A 24 -33,-2.7 -33,-2.3 -2,-0.6 5,-0.1 -0.792 30.9-169.9-118.1 158.7 33.6 16.6 7.4
53 53 S + 0 0 95 -2,-0.3 4,-0.1 -35,-0.2 -33,-0.1 0.154 68.4 97.3-127.4 23.0 36.2 18.9 8.5
54 54 G S S- 0 0 62 2,-0.2 3,-0.1 -35,-0.2 -36,-0.0 0.339 90.6-123.9 -86.3 5.0 34.7 21.9 6.7
55 55 L S S+ 0 0 118 -36,-0.1 2,-0.3 3,-0.0 -1,-0.0 0.594 85.7 88.5 57.2 32.5 33.0 23.0 9.8
56 56 K S S- 0 0 178 -37,-0.1 -2,-0.2 0, 0.0 -3,-0.1 -0.747 70.4-145.4-114.7 129.8 29.5 23.2 9.0
57 57 C - 0 0 32 -2,-0.3 2,-0.4 -37,-0.1 -37,-0.1 -0.588 39.9-106.4 -69.4 149.7 28.1 19.8 9.6
58 58 P > - 0 0 38 0, 0.0 3,-2.9 0, 0.0 2,-0.7 -0.895 25.3-107.4-134.8 107.7 25.6 19.8 6.8
59 59 S T 3 S+ 0 0 118 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 0.155 114.4 47.8 -63.4 -15.1 22.0 20.2 7.5
60 60 S T 3 S+ 0 0 83 -2,-0.7 -1,-0.3 1,-0.3 -3,-0.0 0.766 121.6 44.3 -60.1 -32.0 20.5 16.6 6.9
61 61 F S < S+ 0 0 20 -3,-2.9 2,-0.3 -38,-0.1 -1,-0.3 -0.815 76.0 118.4-117.1 75.6 23.4 15.5 9.1
62 62 P + 0 0 64 0, 0.0 2,-0.2 0, 0.0 -41,-0.1 -0.814 30.7 168.2-135.8 106.4 23.4 18.0 12.0
63 63 K - 0 0 14 -2,-0.3 -35,-0.1 -43,-0.2 -40,-0.1 -0.390 68.1 -79.0-122.1 43.9 22.8 15.7 14.8
64 64 L + 0 0 63 -2,-0.2 -43,-0.0 -42,-0.1 4,-0.0 0.902 68.8 178.9 51.8 55.9 23.6 18.1 17.7
65 65 A - 0 0 15 -43,-0.1 2,-0.2 2,-0.0 -45,-0.1 0.729 38.6 -1.0 -60.4 -41.6 27.2 17.6 17.2
66 66 L S S- 0 0 39 -55,-0.1 2,-0.4 -54,-0.1 12,-0.1 -0.857 82.7 -61.0-159.9 161.3 29.0 19.7 19.6
67 67 V - 0 0 30 -2,-0.2 2,-0.1 1,-0.1 8,-0.1 -0.584 69.6-163.1 -83.5 124.5 29.3 22.2 22.5
68 68 S - 0 0 17 -2,-0.4 -1,-0.1 7,-0.2 3,-0.0 -0.174 39.4-157.3-121.8 162.5 27.6 25.2 21.1
69 69 N + 0 0 147 -2,-0.1 2,-0.3 1,-0.0 3,-0.3 0.596 64.8 72.9-112.9 -22.1 26.9 28.9 21.1
70 70 S S S+ 0 0 103 1,-0.2 -1,-0.0 4,-0.1 0, 0.0 -0.366 78.4 43.7-140.2 60.7 23.8 29.9 19.3
71 71 D S > S- 0 0 88 -2,-0.3 3,-2.3 -3,-0.0 -1,-0.2 -0.228 81.4-136.4-150.9 69.1 20.2 29.5 20.1
72 72 E T 3> S+ 0 0 130 1,-0.3 4,-2.0 -3,-0.3 5,-0.2 0.192 102.5 44.5 -29.6 -40.4 20.9 30.6 23.6
73 73 P H 3> S+ 0 0 83 0, 0.0 4,-2.8 0, 0.0 -1,-0.3 0.885 111.2 54.7 -60.9 -35.9 18.6 27.7 25.0
74 74 D H <> S+ 0 0 76 -3,-2.3 4,-2.5 1,-0.2 -2,-0.1 0.927 110.4 46.9 -64.4 -43.3 20.1 25.1 22.5
75 75 T H > S+ 0 0 6 2,-0.2 4,-3.9 1,-0.2 6,-0.2 0.893 110.7 50.1 -65.8 -36.7 23.5 26.0 23.8
76 76 I H X S+ 0 0 70 -4,-2.0 4,-2.0 2,-0.3 -2,-0.2 0.880 107.1 53.5 -65.8 -39.7 22.4 25.7 27.5
77 77 D H X S+ 0 0 76 -4,-2.8 4,-0.6 1,-0.2 3,-0.3 0.957 117.3 42.1 -58.7 -45.5 20.9 22.4 26.8
78 78 Y H >< S+ 0 0 22 -4,-2.5 3,-1.5 2,-0.2 -2,-0.3 0.931 113.5 48.5 -60.3 -44.8 24.5 21.9 25.5
79 79 C H 3< S+ 0 0 65 -4,-3.9 -3,-0.2 1,-0.3 -1,-0.2 0.564 100.0 62.4 -90.8 -1.2 26.3 23.7 28.4
80 80 N H 3< S- 0 0 99 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.646 120.9-129.5 -66.1 -33.2 24.3 21.7 30.7
81 81 L << - 0 0 2 -3,-1.5 -74,-0.2 -4,-0.6 -75,-0.2 -0.405 40.6 -79.3 121.7 -31.3 26.5 19.3 28.6
82 82 G S S+ 0 0 2 1,-0.4 2,-0.8 -5,-0.2 -78,-0.5 0.879 81.0 131.8 104.9 42.7 23.9 16.9 27.6
83 83 C + 0 0 51 -80,-0.3 -1,-0.4 -3,-0.2 -80,-0.1 -0.994 42.8 172.5 -76.5 98.1 22.5 14.3 29.7
84 84 R - 0 0 51 -2,-0.8 2,-1.9 -3,-0.1 -81,-0.1 0.014 42.6-120.9-111.9 18.2 19.3 16.1 28.3
85 85 A S > S+ 0 0 60 1,-0.3 4,-0.9 0, 0.0 5,-0.2 -0.480 110.9 53.3 84.9 -64.6 17.1 13.4 29.7
86 86 S H > S+ 0 0 77 -2,-1.9 4,-1.2 1,-0.2 3,-0.5 0.922 114.2 51.1 -61.5 -38.5 15.5 12.2 26.5
87 87 M H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.914 104.7 49.2 -61.9 -46.4 19.1 11.9 25.5
88 88 C H 4 S+ 0 0 19 2,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.428 112.8 50.6 -89.8 4.8 20.6 9.9 28.3
89 89 D H X S+ 0 0 101 -4,-0.9 4,-0.6 -3,-0.5 -1,-0.2 0.448 103.0 57.4 -96.7 -15.0 17.6 7.5 28.0
90 90 Y H X S+ 0 0 113 -4,-1.2 4,-1.8 -3,-0.3 -2,-0.3 0.795 104.5 66.2 -63.1 -41.7 18.6 7.4 24.4
91 91 M H < S+ 0 0 3 -4,-2.3 2,-2.0 1,-0.2 5,-0.0 -0.547 108.3 21.7 -65.0 153.8 21.7 6.3 26.1
92 92 V H 4 S+ 0 0 46 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 -0.313 116.9 64.2 78.1 -54.3 21.2 3.0 27.9
93 93 N H < S+ 0 0 123 -2,-2.0 3,-0.3 -4,-0.6 -1,-0.2 0.978 105.7 50.3 -61.0 -39.1 18.3 2.1 25.6
94 94 A S < S+ 0 0 45 -4,-1.8 2,-0.5 1,-0.3 -1,-0.2 0.805 124.3 25.6 -62.0 -42.2 21.1 2.2 23.0
95 95 A S S- 0 0 35 1,-0.1 -1,-0.3 -5,-0.1 3,-0.2 -0.952 93.2-147.0-117.0 111.4 23.5 -0.0 24.9
96 96 A - 0 0 88 -2,-0.5 2,-0.3 -3,-0.3 -1,-0.1 0.757 60.8 -40.6 -62.2 -42.0 20.9 -1.8 26.8
97 97 D S S+ 0 0 132 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.2 -0.825 79.6 140.0-160.1 157.1 22.9 -2.4 30.0
98 98 D > - 0 0 66 -2,-0.3 4,-0.6 -3,-0.2 -3,-0.0 -0.980 59.1-117.3-174.0 163.5 26.5 -3.3 30.2
99 99 E T 4 S+ 0 0 159 -2,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.299 116.7 61.9-108.0 14.0 29.8 -2.8 32.0
100 100 E T >> S+ 0 0 86 3,-0.1 3,-2.1 -3,-0.1 4,-1.4 0.651 99.7 51.7 -64.2 -40.1 31.1 -1.5 28.7
101 101 M H 3> S+ 0 0 15 1,-0.4 4,-2.7 2,-0.2 2,-0.2 0.896 109.8 57.3 -72.9 -26.0 28.4 1.2 29.0
102 102 K H 3< S+ 0 0 101 -4,-0.6 -1,-0.4 2,-0.2 -3,-0.0 -0.517 90.6 61.0 -82.1 55.6 30.2 1.3 32.2
103 103 L H <> S+ 0 0 98 -3,-2.1 4,-2.9 -2,-0.2 -2,-0.2 0.246 118.9 36.5 -98.5 -35.5 33.6 1.9 30.9
104 104 Y H X>S+ 0 0 17 -4,-1.4 4,-3.4 2,-0.3 5,-0.6 0.810 107.3 57.6 -71.2 -43.5 32.0 5.0 29.6
105 105 V H X5S+ 0 0 23 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.965 119.1 40.5 -54.7 -44.9 29.4 6.2 32.2
106 106 E H >5S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -2,-0.3 0.926 118.5 39.9 -72.9 -45.7 32.4 6.3 34.4
107 107 H H X5S+ 0 0 79 -4,-2.9 4,-2.1 2,-0.2 -3,-0.2 0.951 124.2 43.6 -69.8 -36.2 35.1 7.7 32.2
108 108 C H X5S+ 0 0 0 -4,-3.4 4,-3.9 2,-0.2 5,-0.3 0.871 108.9 58.1 -70.7 -37.2 32.3 10.2 30.7
109 109 S H XS+ 0 0 65 -4,-1.8 4,-1.5 2,-0.2 5,-1.3 0.932 115.5 45.8 -62.8 -45.0 35.2 18.5 34.5
115 115 F H <5S+ 0 0 15 -4,-2.9 -2,-0.2 -108,-0.2 -1,-0.2 0.919 115.0 47.2 -63.5 -43.5 32.9 20.1 31.8
116 116 C H <5S+ 0 0 90 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.879 106.1 56.9 -63.5 -40.3 30.1 20.7 34.4
117 117 N H <5S- 0 0 119 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.845 122.5-115.2 -60.1 -34.1 32.6 22.2 36.8
118 118 G T <5S+ 0 0 51 -4,-1.5 2,-0.8 -5,-0.2 -3,-0.2 0.298 85.1 114.4 115.1 5.9 33.3 24.5 33.9
119 119 D < - 0 0 114 -5,-1.3 2,-2.8 2,-0.1 -2,-0.2 -0.899 60.6-149.1 -94.0 102.3 36.8 23.7 33.0
120 120 V + 0 0 72 -2,-0.8 2,-0.4 -5,-0.1 -5,-0.1 -0.484 43.6 143.6 -80.5 68.5 36.2 22.2 29.7
121 121 G - 0 0 18 -2,-2.8 -6,-0.1 -10,-0.2 -2,-0.1 -0.963 44.3-130.0-120.8 138.4 39.0 19.9 29.9
122 122 L - 0 0 67 -2,-0.4 -114,-0.1 1,-0.1 -115,-0.1 -0.049 5.4-139.5 -68.9 165.4 38.7 16.5 28.4
123 123 T - 0 0 57 -115,-0.3 2,-0.2 -116,-0.1 -1,-0.1 0.769 68.6 -76.3 -85.1 -85.0 39.6 13.2 30.1
124 124 S > - 0 0 59 3,-1.1 3,-2.2 -116,-0.4 -1,-0.1 -0.834 54.5 -76.6-169.8 170.2 41.1 11.9 27.0
125 125 L T 3 S+ 0 0 53 1,-0.3 -111,-0.1 -2,-0.2 -112,-0.1 0.439 117.6 67.7 -65.9 -18.1 39.6 10.6 23.9
126 126 T T 3 0 0 70 1,-0.3 -1,-0.3 -90,-0.1 -116,-0.1 0.906 360.0 360.0 -56.1 -38.2 38.5 7.2 24.9
127 127 A < 0 0 1 -3,-2.2 -3,-1.1 -119,-0.2 -1,-0.3 -0.794 360.0 360.0 162.9 360.0 35.9 9.0 27.2