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 .
651 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
35474.5 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
333 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
5 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
179 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
3 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 .
54 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
34 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
18 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
6 0.9 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
1 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 PARALLEL BRIDGES PER LADDER .
9 7 3 5 4 5 3 1 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 .
2 2 4 1 1 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 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 0 154 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-129.7 31.0 -19.4 80.6
2 2 S - 0 0 79 1,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.429 360.0 -94.6 -72.9 150.1 27.5 -18.1 79.9
3 3 E S S+ 0 0 136 -2,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.456 94.6 4.8 -66.6 135.6 24.7 -20.6 80.3
4 4 A S S- 0 0 17 -2,-0.1 -2,-0.1 -3,-0.1 566,-0.0 0.039 105.2 -60.3 78.0 167.9 24.0 -22.2 77.0
5 5 F - 0 0 29 -4,-0.1 2,-0.2 1,-0.0 -2,-0.1 -0.724 54.8-120.2 -87.8 133.7 25.9 -21.7 73.8
6 6 P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.509 27.6-153.8 -72.9 144.4 25.9 -18.2 72.5
7 7 W - 0 0 34 -2,-0.2 2,-0.1 609,-0.0 609,-0.0 -0.971 5.2-139.3-125.6 136.3 24.3 -17.8 69.1
8 8 D > - 0 0 98 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.401 26.9-115.1 -81.5 164.6 25.1 -15.2 66.6
9 9 N H > S+ 0 0 117 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.882 117.2 57.8 -66.0 -36.9 22.3 -13.6 64.6
10 10 S H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 106.3 48.1 -60.6 -42.0 23.8 -15.1 61.5
11 11 M H > S+ 0 0 29 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.932 115.2 46.2 -63.7 -43.7 23.5 -18.5 62.9
12 12 L H >< S+ 0 0 14 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.920 111.4 48.6 -64.9 -47.3 19.9 -17.8 64.0
13 13 S H >< S+ 0 0 73 -4,-3.3 3,-1.5 1,-0.3 -1,-0.2 0.829 101.9 62.8 -67.0 -31.9 18.7 -16.3 60.7
14 14 W H 3< S+ 0 0 11 -4,-1.6 -1,-0.3 1,-0.3 582,-0.2 0.756 87.3 76.1 -63.9 -24.8 20.1 -19.0 58.5
15 15 Q T << S+ 0 0 7 -3,-1.0 581,-1.0 -4,-0.6 -1,-0.3 0.811 71.1 100.2 -58.7 -34.6 17.8 -21.4 60.3
16 16 R S < S- 0 0 120 -3,-1.5 2,-0.1 -4,-0.4 6,-0.0 -0.271 74.5-123.6 -60.4 141.0 14.9 -20.0 58.3
17 17 T - 0 0 14 1,-0.1 578,-0.1 578,-0.1 -1,-0.1 -0.374 11.3-147.4 -92.1 158.8 13.9 -22.3 55.4
18 18 S S S+ 0 0 24 -2,-0.1 630,-1.2 629,-0.1 631,-0.6 0.900 94.1 18.4 -81.3 -59.6 13.6 -21.9 51.6
19 19 F S S+ 0 0 1 628,-0.2 2,-0.3 629,-0.2 627,-0.1 0.410 101.6 91.6 -95.3 -10.7 10.8 -24.3 50.7
20 20 H S S- 0 0 4 424,-0.1 2,-0.3 574,-0.1 630,-0.1 -0.692 81.0-103.0 -96.5 155.9 8.9 -25.1 53.9
21 21 F + 0 0 8 421,-0.4 421,-2.1 -2,-0.3 -2,-0.1 -0.547 52.6 151.9 -74.3 130.1 5.9 -23.2 55.2
22 22 Q - 0 0 31 -2,-0.3 419,-0.1 419,-0.2 418,-0.1 -0.969 36.2-123.1-160.5 142.4 6.7 -20.8 58.1
23 23 P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.131 37.7 -97.9 -77.4 178.5 5.2 -17.6 59.4
24 24 E S S- 0 0 151 1,-0.2 2,-0.2 414,-0.0 0, 0.0 0.930 96.1 -22.6 -62.1 -48.0 6.9 -14.3 59.9
25 25 K S S+ 0 0 88 2,-0.0 413,-0.2 413,-0.0 -1,-0.2 -0.914 91.2 43.6-154.2 171.1 7.4 -15.1 63.6
26 26 N E S-a 438 0A 1 411,-2.2 413,-2.7 -2,-0.2 2,-0.8 -0.038 88.2 -35.2 85.9-178.6 6.3 -17.0 66.8
27 27 W E -aB 439 48A 0 21,-0.8 21,-3.5 411,-0.2 2,-0.5 -0.752 57.8-177.0 -81.3 111.7 5.4 -20.4 67.7
28 28 M E + B 0 47A 0 411,-2.1 19,-0.3 -2,-0.8 125,-0.1 -0.919 11.6 162.9-109.0 138.5 3.5 -21.8 64.9
29 29 N - 0 0 0 17,-3.3 131,-0.2 -2,-0.5 395,-0.1 -0.100 57.6 -28.8-131.0-136.7 2.2 -25.2 65.6
30 30 D - 0 0 1 129,-0.1 128,-0.3 1,-0.1 160,-0.2 -0.890 68.5-163.9 -95.8 121.6 -0.4 -27.2 63.9
31 31 P - 0 0 3 0, 0.0 128,-1.4 0, 0.0 14,-1.0 0.937 26.9 -45.9 -83.5 -44.8 -2.7 -24.5 62.6
32 32 N E S-C 44 0B 0 12,-2.8 12,-1.6 126,-0.2 129,-0.3 -0.759 72.4 -39.7 172.6 146.4 -7.1 -25.3 61.2
33 33 G E - 0 0B 1 158,-1.8 159,-0.2 -2,-0.2 127,-0.1 0.577 60.9-153.9 26.5 59.3 -9.8 -27.4 59.2
34 34 P E + 0 0B 11 0, 0.0 2,-0.3 0, 0.0 159,-0.2 -0.301 29.9 139.9 -58.7 138.0 -7.8 -28.2 56.0
35 35 M E -C 42 0B 24 7,-1.2 7,-3.0 375,-0.1 2,-0.6 -0.966 53.1-102.9-163.1 179.8 -9.8 -28.8 52.9
36 36 Y E +C 41 0B 81 375,-0.3 2,-0.4 -2,-0.3 5,-0.2 -0.972 43.5 169.4-111.5 117.7 -10.1 -28.2 49.2
37 37 Y E > -C 40 0B 45 3,-2.0 3,-1.2 -2,-0.6 -2,-0.1 -0.997 57.8 -27.3-136.0 134.3 -12.6 -25.5 48.3
38 38 K T 3 S- 0 0 115 -2,-0.4 188,-0.0 1,-0.3 190,-0.0 -0.305 123.6 -34.1 51.6-152.8 -13.1 -24.0 45.0
39 39 G T 3 S+ 0 0 32 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.702 119.5 90.3 -67.3 -22.5 -9.8 -24.2 43.1
40 40 W E < S-C 37 0B 49 -3,-1.2 -3,-2.0 187,-0.2 2,-0.6 -0.478 71.1-132.4 -93.5 151.8 -7.6 -23.8 46.2
41 41 Y E -CD 36 164B 13 123,-3.1 123,-1.4 -5,-0.2 2,-0.3 -0.876 36.3-154.2 -89.1 120.5 -6.0 -26.1 48.7
42 42 H E +CD 35 163B 1 -7,-3.0 -7,-1.2 -2,-0.6 2,-0.3 -0.761 21.3 173.6-105.8 147.8 -6.9 -24.4 52.0
43 43 F E - D 0 162B 2 119,-1.0 119,-2.3 -2,-0.3 2,-0.3 -0.955 13.8-157.3-156.5 129.0 -5.0 -24.8 55.0
44 44 F E -CD 32 161B 3 -12,-1.6 -12,-2.8 115,-0.4 2,-0.2 -0.781 17.8-131.9-129.6 155.4 -5.8 -22.7 58.3
45 45 Y - 0 0 12 -14,-1.0 2,-0.5 115,-0.8 114,-0.3 -0.999 22.2-162.0-129.7 100.5 -3.4 -21.9 61.3
46 46 Q + 0 0 0 -2,-0.2 -17,-3.3 112,-0.2 2,-0.4 -0.752 18.6 167.6-102.2 150.1 -2.3 -21.6 65.1
47 47 Y E -B 28 0A 38 -2,-0.5 -19,-0.3 -19,-0.3 -21,-0.1 -0.946 40.7-123.8-140.0 120.0 0.2 -19.6 65.8
48 48 N E -B 27 0A 25 -21,-3.5 -21,-0.8 -2,-0.4 4,-0.1 -0.867 50.2-112.8 -86.3 115.5 0.5 -19.0 69.4
49 49 P - 0 0 40 0, 0.0 -22,-0.1 0, 0.0 -1,-0.1 0.087 9.2-112.4 -56.7 163.7 0.4 -15.3 69.2
50 50 N S S+ 0 0 86 4,-0.1 2,-1.0 1,-0.1 4,-0.1 0.817 89.7 94.8 -61.7 -43.0 3.0 -12.8 69.8
51 51 D S S- 0 0 129 3,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.475 103.7 -42.8 -72.8 103.7 1.4 -11.3 72.8
52 52 F S S+ 0 0 158 -2,-1.0 6,-0.1 -4,-0.1 5,-0.1 0.737 126.8 52.4 52.0 146.9 3.0 -13.1 75.7
53 53 R S S+ 0 0 154 4,-0.2 4,-0.2 3,-0.1 5,-0.1 0.997 86.9 159.4 58.2 63.1 3.6 -16.8 75.9
54 54 D - 0 0 7 2,-0.8 -4,-0.1 3,-0.1 -3,-0.1 0.508 58.9 -25.1-102.2-133.7 5.3 -16.2 72.6
55 55 P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 379,-0.1 0.816 137.8 41.2 -59.1 -25.6 8.0 -18.3 70.8
56 56 T S S- 0 0 16 1,-0.1 -2,-0.8 378,-0.1 97,-0.1 -0.894 102.6 -86.0-123.0 159.3 8.8 -19.6 74.3
57 57 T - 0 0 93 95,-0.4 -4,-0.2 -2,-0.3 -3,-0.1 -0.014 47.5 -95.2 -62.3 156.2 6.6 -20.5 77.3
58 58 A - 0 0 15 1,-0.2 2,-0.2 -5,-0.1 -1,-0.1 -0.230 55.5 -81.7 -66.6 156.0 5.3 -18.2 79.9
59 59 W + 0 0 178 -3,-0.1 4,-0.2 4,-0.1 -1,-0.2 -0.481 61.7 176.9 -62.4 127.6 7.2 -17.8 83.0
60 60 L - 0 0 103 2,-0.9 3,-0.1 -2,-0.2 -1,-0.1 -0.137 56.4 -62.4-111.0-153.6 6.2 -20.7 85.1
61 61 T S S+ 0 0 136 1,-0.2 2,-0.5 -2,-0.1 -2,-0.1 0.942 135.2 37.2 -61.5 -41.3 7.4 -21.7 88.5
62 62 S S S- 0 0 42 4,-0.1 -2,-0.9 6,-0.0 2,-0.5 -0.918 77.4-159.8-110.9 133.2 10.7 -22.2 86.8
63 63 E - 0 0 132 -2,-0.5 -4,-0.1 -4,-0.2 -5,-0.1 -0.952 64.7 -19.1-110.8 127.1 11.7 -19.8 84.1
64 64 G S S- 0 0 42 -2,-0.5 2,-0.6 2,-0.1 85,-0.1 -0.236 126.5 -14.7 73.4-169.5 14.4 -21.0 81.8
65 65 K S S+ 0 0 117 83,-0.1 2,-0.4 84,-0.0 -2,-0.1 -0.543 82.3 172.4 -70.3 117.4 16.5 -23.9 82.9
66 66 W - 0 0 166 -2,-0.6 2,-0.4 81,-0.2 81,-0.2 -0.967 23.5-144.0-129.9 145.3 15.8 -24.1 86.6
67 67 R - 0 0 225 -2,-0.4 2,-0.4 79,-0.1 81,-0.0 -0.876 13.4-170.1-110.7 141.4 16.8 -26.7 89.1
68 68 I - 0 0 125 -2,-0.4 2,-0.4 2,-0.0 78,-0.0 -0.976 6.9-154.6-127.9 143.5 14.7 -27.8 91.9
69 69 T - 0 0 122 -2,-0.4 2,-0.5 3,-0.0 3,-0.1 -0.944 6.0-167.9-118.4 139.6 15.7 -30.0 94.8
70 70 I - 0 0 159 -2,-0.4 74,-0.1 74,-0.1 -2,-0.0 -0.992 56.3 -17.6-127.6 127.1 13.4 -32.1 96.8
71 71 G S S- 0 0 65 -2,-0.5 2,-0.3 2,-0.0 -1,-0.0 -0.046 73.4-106.5 75.2 177.4 14.4 -33.7 100.0
72 72 S - 0 0 120 -3,-0.1 2,-0.5 2,-0.0 -1,-0.0 -0.950 19.7-120.8-140.9 156.9 17.9 -34.2 101.2
73 73 K - 0 0 153 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.861 30.9-179.5-103.3 135.2 20.1 -37.3 101.4
74 74 L - 0 0 106 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.999 11.7-158.7-135.3 137.8 21.5 -38.2 104.8
75 75 N - 0 0 113 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.928 9.8-146.0-116.1 141.2 23.7 -41.1 105.7
76 76 K + 0 0 185 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.900 20.2 178.2-107.4 130.9 24.0 -42.4 109.2
77 77 T + 0 0 132 -2,-0.5 2,-0.2 2,-0.0 -2,-0.0 -0.970 19.5 119.6-130.6 147.1 27.3 -43.8 110.4
78 78 G - 0 0 73 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.604 35.8-149.0 163.7 138.1 28.3 -45.2 113.7
79 79 I - 0 0 146 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.986 8.8-155.5-128.4 134.2 29.6 -48.4 115.0
80 80 A - 0 0 97 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.894 13.5-175.9-110.4 137.2 29.0 -49.8 118.4
81 81 L - 0 0 136 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.900 9.2-163.9-127.6 155.4 31.3 -52.3 120.0
82 82 V - 0 0 117 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.995 4.7-158.6-136.3 142.4 31.2 -54.2 123.2
83 83 Y - 0 0 182 -2,-0.4 2,-0.7 2,-0.0 -2,-0.0 -0.970 5.7-167.2-123.4 118.1 34.0 -55.9 125.0
84 84 D + 0 0 111 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.912 12.2 176.6-106.8 117.6 33.2 -58.7 127.4
85 85 T - 0 0 98 -2,-0.7 2,-0.3 2,-0.0 -2,-0.0 -0.911 8.8-174.5-118.1 144.3 36.1 -59.7 129.5
86 86 D + 0 0 130 -2,-0.4 2,-0.7 2,-0.0 -2,-0.0 -0.802 10.8 166.0-143.5 102.3 35.9 -62.2 132.3
87 87 D + 0 0 140 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.896 10.2 165.0-116.0 103.4 38.9 -62.9 134.5
88 88 F + 0 0 156 -2,-0.7 2,-0.3 2,-0.0 -2,-0.0 -0.974 7.7 151.0-117.3 124.3 37.9 -64.9 137.5
89 89 K + 0 0 183 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.951 10.7 169.7-152.7 130.4 40.6 -66.5 139.5
90 90 T - 0 0 101 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.992 11.6-166.2-140.4 149.1 40.8 -67.3 143.2
91 91 Y - 0 0 202 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.981 11.8-148.1-131.5 145.4 43.1 -69.3 145.3
92 92 E - 0 0 168 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.938 4.1-151.1-117.7 139.6 42.5 -70.4 148.8
93 93 L - 0 0 138 -2,-0.4 2,-0.6 2,-0.0 -2,-0.0 -0.926 4.6-157.8-109.5 127.5 45.1 -70.9 151.4
94 94 K + 0 0 172 -2,-0.5 2,-0.3 0, 0.0 -2,-0.0 -0.899 27.9 158.1-101.9 124.7 44.6 -73.4 154.1
95 95 N + 0 0 159 -2,-0.6 -2,-0.0 0, 0.0 2,-0.0 -0.983 21.5 56.5-146.4 156.7 46.7 -72.7 157.2
96 96 G - 0 0 58 -2,-0.3 2,-0.2 1,-0.1 0, 0.0 0.261 39.2-170.7 100.7 137.6 46.8 -73.4 160.9
97 97 H + 0 0 145 2,-0.0 2,-0.4 -2,-0.0 -1,-0.1 -0.791 5.5 176.5-162.4 116.4 46.9 -76.7 162.8
98 98 L + 0 0 164 -2,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.991 15.8 144.0-127.7 129.1 46.5 -77.2 166.5
99 99 R - 0 0 193 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.959 35.2-138.3-150.6 155.0 46.5 -80.5 168.1
100 100 A - 0 0 92 -2,-0.3 2,-0.6 2,-0.0 -2,-0.0 -0.988 13.4-155.2-123.0 132.2 47.8 -81.7 171.4
101 101 D - 0 0 139 -2,-0.5 3,-0.1 3,-0.0 2,-0.0 -0.911 12.9-136.2-110.3 123.9 49.5 -85.1 171.7
102 102 H - 0 0 163 -2,-0.6 2,-0.3 1,-0.1 -2,-0.0 -0.410 43.4 -93.8 -65.6 149.4 49.6 -86.9 174.9
103 103 V + 0 0 123 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.526 67.2 138.6 -74.6 134.7 53.1 -88.2 175.4
104 104 S - 0 0 101 -2,-0.3 2,-0.5 2,-0.1 -3,-0.0 -0.946 50.1-111.8-159.2 168.0 53.5 -91.8 174.2
105 105 S + 0 0 127 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.962 52.4 132.0-116.4 126.3 56.1 -93.7 172.4
106 106 S - 0 0 104 -2,-0.5 2,-0.2 2,-0.0 -2,-0.1 -0.971 47.0-123.1-163.0 151.5 55.2 -94.9 168.9
107 107 A - 0 0 100 -2,-0.3 2,-0.4 0, 0.0 -2,-0.0 -0.604 26.9-140.7 -94.1 163.4 56.8 -95.0 165.5
108 108 S - 0 0 103 -2,-0.2 2,-0.4 4,-0.0 4,-0.1 -0.955 4.7-145.8-127.3 147.8 55.0 -93.4 162.6
109 109 N - 0 0 144 -2,-0.4 0, 0.0 2,-0.2 0, 0.0 -0.879 44.4 -70.0-113.9 150.2 54.7 -94.6 159.0
110 110 H S S+ 0 0 151 -2,-0.4 -1,-0.0 2,-0.0 0, 0.0 0.471 107.5 36.5 8.7-119.1 54.5 -92.4 155.9
111 111 Q S S- 0 0 127 1,-0.1 -2,-0.2 -3,-0.0 2,-0.2 -0.061 77.3-139.8 -55.6 152.2 51.3 -90.4 155.6
112 112 Q - 0 0 134 -4,-0.1 2,-1.2 1,-0.0 4,-0.2 -0.583 38.6 -76.3-107.6 170.9 49.7 -89.1 158.7
113 113 E S S+ 0 0 194 -2,-0.2 2,-0.3 2,-0.1 -1,-0.0 -0.593 95.5 96.4 -70.8 103.9 46.1 -89.0 159.7
114 114 H S S- 0 0 106 -2,-1.2 2,-1.0 3,-0.0 -2,-0.0 -0.941 80.6-107.9-174.7 162.0 45.1 -86.1 157.5
115 115 Q + 0 0 172 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.792 39.8 170.8-104.9 91.9 43.6 -85.4 154.1
116 116 S + 0 0 80 -2,-1.0 -1,-0.2 -4,-0.2 2,-0.1 0.937 62.3 55.9 -67.5 -46.4 46.6 -84.2 152.3
117 117 P S S- 0 0 102 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.432 71.7-155.5 -83.3 164.4 45.0 -84.1 149.0
118 118 T - 0 0 104 -2,-0.1 2,-0.1 3,-0.0 -2,-0.0 -0.875 31.8 -95.6-128.8 160.1 41.8 -82.3 148.2
119 119 S - 0 0 100 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.509 50.8-100.3 -73.4 152.6 39.4 -83.1 145.5
120 120 L - 0 0 159 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.541 36.7-122.1 -73.9 138.5 40.0 -81.1 142.4
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