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 .
460 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
19744.9 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
301 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
150 32.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
7 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
1 0.2 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 .
2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
2 0.4 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 .
48 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
18 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
17 3.7 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 1 0 0 2 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 .
5 4 8 6 2 1 1 1 2 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 .
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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER .
0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 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 40 0, 0.0 314,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-173.7 46.3 6.8 72.0
2 2 Y - 0 0 30 274,-0.2 312,-0.1 1,-0.2 311,-0.1 -0.495 360.0-146.4 -67.9 129.2 44.2 7.2 75.1
3 3 K S S+ 0 0 143 -2,-0.2 -1,-0.2 310,-0.2 311,-0.1 0.895 74.5 70.2 -67.9 -37.1 44.2 3.9 76.8
4 4 G S S- 0 0 27 309,-0.1 2,-0.4 1,-0.1 -2,-0.0 -0.128 88.6-107.9 -77.7 174.0 40.7 4.2 78.1
5 5 V - 0 0 142 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.837 37.3-152.4 -97.5 138.6 37.4 4.1 76.3
6 6 V + 0 0 44 -2,-0.4 -4,-0.0 -4,-0.1 242,-0.0 -0.935 22.2 166.6-122.7 140.5 35.8 7.5 76.1
7 7 S - 0 0 102 -2,-0.4 2,-0.3 243,-0.0 241,-0.0 -0.980 22.8-143.8-144.0 130.4 32.2 8.5 75.8
8 8 P - 0 0 34 0, 0.0 2,-1.5 0, 0.0 3,-0.5 -0.714 20.1-125.7 -89.8 151.1 30.7 11.9 76.3
9 9 R S S+ 0 0 145 -2,-0.3 6,-0.1 1,-0.2 217,-0.1 -0.690 79.9 105.4 -94.1 85.6 27.3 12.4 77.9
10 10 C + 0 0 48 -2,-1.5 -1,-0.2 3,-0.1 4,-0.2 0.637 65.7 55.6-128.1 -46.4 26.1 14.5 75.0
11 11 C S S+ 0 0 124 -3,-0.5 2,-0.3 2,-0.1 -2,-0.1 0.908 120.4 41.5 -59.9 -36.3 23.7 12.4 72.9
12 12 I S S- 0 0 75 -4,-0.2 3,-0.1 1,-0.2 0, 0.0 -0.735 120.2 -71.0-108.0 158.4 22.0 12.0 76.2
13 13 N - 0 0 147 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.109 50.3-118.4 -50.3 139.1 21.6 14.8 78.6
14 14 V - 0 0 22 1,-0.2 3,-0.1 -4,-0.2 48,-0.1 -0.195 65.5 -46.4 -67.1 173.0 24.7 16.0 80.3
15 15 Q S S- 0 0 65 1,-0.1 -1,-0.2 46,-0.1 45,-0.1 0.014 77.9 -87.2 -52.4 152.1 24.6 15.6 84.0
16 16 A - 0 0 71 1,-0.1 46,-1.9 -3,-0.1 2,-0.4 -0.181 46.6 -97.9 -62.9 150.2 21.4 16.8 85.8
17 17 S E -a 62 0A 38 44,-0.2 46,-0.2 1,-0.2 3,-0.1 -0.597 27.4-165.7 -74.9 122.2 21.1 20.3 86.9
18 18 a E S- 0 0A 30 44,-3.3 2,-0.3 -2,-0.4 45,-0.2 0.953 77.2 -18.3 -68.1 -53.4 21.9 20.7 90.5
19 19 L E S-a 63 0A 101 43,-0.6 45,-1.6 -3,-0.1 2,-0.4 -0.957 70.0-121.7-149.7 160.1 20.4 24.1 90.5
20 20 T E -a 64 0A 64 -2,-0.3 2,-0.4 43,-0.2 45,-0.2 -0.911 22.4-163.0-113.7 138.5 19.5 26.6 87.8
21 21 V E -a 65 0A 17 43,-3.2 45,-2.6 -2,-0.4 2,-0.5 -0.925 9.5-150.4-121.1 143.2 20.8 30.1 87.7
22 22 T E -a 66 0A 85 -2,-0.4 46,-0.2 43,-0.2 45,-0.2 -0.947 33.7-111.1-110.2 127.8 19.5 33.1 85.8
23 23 A - 0 0 4 43,-1.5 46,-0.2 -2,-0.5 2,-0.2 -0.259 30.7-137.0 -61.5 139.3 22.2 35.5 84.8
24 24 P - 0 0 45 0, 0.0 51,-0.3 0, 0.0 3,-0.3 -0.575 25.0-101.9 -85.5 161.5 21.9 38.7 86.6
25 25 E S S- 0 0 131 1,-0.2 46,-0.1 -2,-0.2 49,-0.0 -0.439 84.9 -26.7 -77.0 169.6 22.3 41.9 84.8
26 26 D S S+ 0 0 145 1,-0.1 -1,-0.2 -2,-0.1 48,-0.1 0.303 81.7 179.5 -16.7 100.8 25.7 43.6 85.3
27 27 S - 0 0 48 -3,-0.3 -1,-0.1 48,-0.1 17,-0.1 -0.962 29.9-118.1-124.2 139.3 26.7 42.3 88.6
28 28 P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.262 36.9-148.6 -62.0 154.4 29.8 43.1 90.5
29 29 N - 0 0 47 15,-0.1 2,-0.3 16,-0.1 47,-0.1 -0.802 8.9-139.6-128.8 170.2 31.9 40.0 91.2
30 30 T - 0 0 86 -2,-0.3 47,-0.3 1,-0.2 15,-0.2 -0.745 34.3 -96.8-118.8 167.5 34.3 38.7 93.8
31 31 D - 0 0 99 -2,-0.3 2,-0.2 1,-0.1 -1,-0.2 -0.169 41.0-116.1 -77.6 179.9 37.5 36.8 93.2
32 32 G - 0 0 32 47,-0.1 2,-0.4 16,-0.0 47,-0.1 -0.639 12.5-129.7-115.5 174.2 37.7 33.1 93.4
33 33 I - 0 0 98 -2,-0.2 2,-0.2 47,-0.1 0, 0.0 -0.932 22.5-166.3-123.0 145.5 39.4 30.5 95.5
34 34 H - 0 0 116 -2,-0.4 2,-0.3 46,-0.0 4,-0.1 -0.747 12.0-130.5-128.2 175.8 41.4 27.6 94.3
35 35 V - 0 0 32 2,-0.4 102,-0.2 -2,-0.2 100,-0.0 -0.798 28.6-110.5-123.5 164.2 42.9 24.4 95.7
36 36 T S S+ 0 0 84 -2,-0.3 166,-2.3 100,-0.1 101,-0.1 0.921 106.7 54.9 -61.2 -44.8 46.4 22.9 95.5
37 37 N E S-S 201 0B 14 164,-0.3 164,-0.6 99,-0.1 -2,-0.4 -0.258 91.2-125.5 -81.3 175.8 45.2 20.2 93.2
38 38 T E +S 199 0B 2 162,-2.4 161,-2.1 161,-1.1 98,-0.6 -0.466 56.8 106.0-143.7 86.1 43.4 21.2 90.0
39 39 Q + 0 0 0 159,-0.2 97,-1.7 -2,-0.2 2,-0.2 -0.987 52.2 85.1-140.6 141.2 40.0 20.3 88.5
40 40 N - 0 0 2 95,-0.4 95,-0.2 -2,-0.3 157,-0.1 -0.962 35.0-179.1 159.3-176.3 37.1 22.9 88.6
41 41 I + 0 0 0 -2,-0.2 39,-0.2 47,-0.2 2,-0.2 -0.128 14.6 145.5 141.7 133.3 35.5 26.0 86.7
42 42 T - 0 0 0 90,-0.2 2,-0.2 -2,-0.1 37,-0.2 -0.681 36.7 -87.7-153.5-153.4 32.5 28.5 87.2
43 43 I - 0 0 1 1,-0.4 5,-0.3 45,-0.2 37,-0.2 -0.569 65.0 -40.4-126.6-177.1 30.9 32.0 86.9
44 44 S S > S- 0 0 6 31,-0.6 4,-3.0 3,-0.2 3,-0.5 0.386 78.3 -73.2 -50.2-178.7 30.8 35.1 89.2
45 45 S T 4 S+ 0 0 52 1,-0.3 5,-0.2 2,-0.2 -1,-0.1 0.809 135.5 54.6 -54.5 -31.9 30.4 35.1 93.0
46 46 S T > S+ 0 0 59 1,-0.2 4,-0.7 3,-0.1 -1,-0.3 0.972 111.3 44.1 -64.4 -47.0 26.8 34.2 92.5
47 47 V H >> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 3,-0.6 0.881 103.6 73.6 -64.6 -36.4 27.7 31.2 90.5
48 48 I H 3< S+ 0 0 42 -4,-3.0 33,-0.1 -5,-0.3 -6,-0.0 -0.538 102.7 29.8 -75.3 137.0 30.4 30.4 92.9
49 49 G H 3> S+ 0 0 30 -2,-0.2 4,-2.8 1,-0.1 -1,-0.3 -0.110 112.1 66.1 103.1 -45.5 28.7 29.0 95.9
50 50 T H < S+ 0 0 0 -4,-2.5 3,-0.6 2,-0.2 -3,-0.2 0.911 116.7 48.1 -66.2 -42.7 28.8 25.6 92.5
52 52 D H 34 S+ 0 0 87 1,-0.3 -2,-0.2 -5,-0.2 -1,-0.2 0.896 111.3 51.9 -65.2 -38.0 30.0 25.1 96.0
53 53 D H 3< S+ 0 0 123 -4,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.681 78.4 124.0 -70.5 -23.1 26.5 24.3 97.1
54 54 a S << S- 0 0 11 -4,-1.0 3,-0.1 -3,-0.6 9,-0.1 -0.187 75.1 -97.2 -54.1 130.9 26.0 21.6 94.4
55 55 I - 0 0 101 1,-0.1 2,-0.3 -37,-0.0 -1,-0.1 -0.050 30.8-115.7 -53.8 136.3 25.1 18.4 96.1
56 56 S + 0 0 115 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.591 53.0 164.5 -68.5 135.6 27.8 15.9 96.7
57 57 I - 0 0 79 -2,-0.3 3,-0.2 3,-0.2 -3,-0.0 -0.851 59.3 -93.4-145.7 176.5 26.8 13.0 94.6
58 58 V S S- 0 0 131 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.938 101.8 -56.2 -59.5 -40.9 28.2 9.9 93.2
59 59 S S S+ 0 0 42 -3,-0.1 -1,-0.3 25,-0.0 2,-0.1 -0.974 101.5 55.2 179.4 176.2 28.9 12.2 90.4
60 60 G + 0 0 0 80,-0.4 -3,-0.2 -2,-0.3 -43,-0.1 -0.369 41.8 137.2 80.5-163.8 27.3 14.6 88.0
61 61 C - 0 0 21 -45,-0.2 25,-1.1 24,-0.1 2,-0.3 0.653 27.5-173.8 81.7 117.2 25.3 17.5 89.1
62 62 K E -a 17 0A 14 -46,-1.9 -44,-3.3 23,-0.2 -43,-0.6 -0.982 25.2-124.3-138.1 145.4 25.9 20.7 87.3
63 63 S E -a 19 0A 0 23,-0.4 2,-0.5 -2,-0.3 27,-0.4 -0.453 33.0-137.3 -79.4 169.1 24.6 24.1 87.9
64 64 Q E -a 20 0A 38 -45,-1.6 -43,-3.2 25,-0.2 2,-0.7 -0.974 8.3-151.4-132.2 133.4 23.0 25.5 84.8
65 65 L E +ab 21 91A 0 25,-3.4 27,-1.8 -2,-0.5 2,-0.2 -0.862 26.8 170.3-101.0 120.0 23.3 28.9 83.4
66 66 T E -a 22 0A 28 -45,-2.6 -43,-1.5 -2,-0.7 30,-0.1 -0.638 39.3 -64.8-119.6 177.2 20.2 30.0 81.5
67 67 L - 0 0 78 -2,-0.2 -1,-0.2 26,-0.2 5,-0.2 -0.172 40.4-163.7 -66.0 154.7 19.0 33.2 80.0
68 68 Q - 0 0 25 3,-0.7 4,-0.1 1,-0.6 2,-0.1 0.454 47.2 -62.8-100.2-122.9 18.1 36.2 82.2
69 69 I S S- 0 0 125 2,-0.4 -1,-0.6 1,-0.3 2,-0.3 -0.041 108.0 -15.6-109.9-150.1 16.1 39.0 80.9
70 70 Y S S+ 0 0 223 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.0 -0.476 130.6 50.8 -61.6 122.1 17.5 41.0 78.0
71 71 G - 0 0 36 -2,-0.3 -3,-0.7 -3,-0.1 -2,-0.4 0.426 61.3-164.0 112.2 106.7 21.1 39.9 78.2
72 72 T + 0 0 41 -5,-0.2 24,-2.4 -4,-0.1 2,-0.4 -0.338 55.8 110.0-110.4 51.0 21.8 36.2 78.3
73 73 I E -c 96 0A 73 22,-0.2 2,-0.7 -49,-0.1 24,-0.2 -0.983 56.3-150.4-132.4 135.9 25.3 36.6 79.4
74 74 E E -c 97 0A 2 22,-2.7 24,-2.7 -2,-0.4 2,-0.3 -0.902 17.4-153.1-101.2 117.6 26.9 35.9 82.7
75 75 A E +c 98 0A 37 -2,-0.7 -31,-0.6 -51,-0.3 2,-0.3 -0.665 28.1 156.8 -86.6 144.0 29.8 38.2 83.3
76 76 S E -c 99 0A 0 22,-1.6 24,-1.8 -2,-0.3 2,-0.2 -0.981 32.9-150.1-164.8 155.8 32.4 36.8 85.5
77 77 E S S- 0 0 0 1,-0.3 29,-0.1 -2,-0.3 -47,-0.1 -0.383 71.4 -15.3-107.7-167.7 36.0 37.0 86.6
78 78 D S S+ 0 0 18 27,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.102 72.0 178.8 -36.2 127.7 38.1 34.1 87.9
79 79 R E -t 133 0B 3 53,-2.2 55,-2.8 52,-0.3 2,-0.3 -0.950 14.5-165.4-135.5 154.7 35.9 31.2 88.9
80 80 S E -t 134 0B 4 -2,-0.3 2,-0.5 -39,-0.2 55,-0.2 -0.993 9.4-147.4-138.1 147.6 36.7 27.8 90.3
81 81 I - 0 0 1 53,-1.1 55,-0.3 -2,-0.3 4,-0.3 -0.896 18.2-120.1-128.1 121.8 34.5 24.8 90.5
82 82 Y > - 0 0 88 -2,-0.5 3,-1.2 -42,-0.1 56,-0.1 0.230 47.5 -74.4 -44.6 159.4 34.5 22.1 93.1
83 83 K T 3 S+ 0 0 102 1,-0.3 57,-0.1 54,-0.2 -1,-0.1 -0.223 116.3 19.4 -60.4 148.9 35.1 18.5 92.3
84 84 D T 3 S+ 0 0 25 55,-1.5 2,-0.4 1,-0.2 -1,-0.3 0.692 97.7 122.7 63.1 24.6 32.3 16.5 90.6
85 85 I < - 0 0 5 -3,-1.2 57,-1.6 -4,-0.3 -1,-0.2 -0.891 61.0-111.3-117.3 145.9 30.7 19.7 89.5
86 86 D - 0 0 1 -25,-1.1 -23,-0.4 -2,-0.4 57,-0.2 -0.348 53.3 -47.4 -86.0 170.6 30.0 20.5 85.9
87 87 H S S- 0 0 0 2,-0.4 55,-0.3 1,-0.2 56,-0.1 0.356 108.5 -50.6 9.2-135.4 31.4 23.1 83.4
88 88 W S S- 0 0 0 56,-0.2 -25,-0.2 -46,-0.1 -1,-0.2 0.867 120.5 -73.4 -60.2 -43.8 31.5 26.2 84.9
89 89 L S S- 0 0 0 55,-0.3 55,-0.8 -47,-0.1 -2,-0.4 -0.334 83.4 -38.3-162.8-108.2 28.4 24.2 85.0
90 90 I E - d 0 144A 4 -27,-0.4 -25,-3.4 -4,-0.2 2,-0.6 -0.979 51.2-155.1-134.0 134.6 26.1 23.7 82.1
91 91 F E -bd 65 145A 0 53,-1.7 56,-2.5 -2,-0.4 55,-2.2 -0.929 14.0-141.7-119.9 113.3 25.6 26.5 79.7
92 92 D > - 0 0 42 -27,-1.8 3,-0.6 -2,-0.6 56,-0.2 -0.451 38.8 -75.3 -76.7 147.0 22.3 26.3 77.8
93 93 N T 3 S+ 0 0 90 1,-0.2 -26,-0.2 -2,-0.1 -1,-0.1 0.191 114.6 21.3 -44.0 148.7 22.2 27.4 74.2
94 94 V T 3 S+ 0 0 90 1,-0.3 2,-0.3 52,-0.2 -1,-0.2 0.626 100.0 110.3 62.8 24.5 22.2 31.1 73.3
95 95 Q < - 0 0 1 -3,-0.6 53,-1.5 -4,-0.1 2,-0.4 -0.866 52.3-155.6-120.4 156.7 23.8 31.9 76.6
96 96 N E -ce 73 148A 49 -24,-2.4 -22,-2.7 -2,-0.3 2,-0.7 -0.991 14.7-151.4-134.7 138.6 27.3 33.2 77.0
97 97 L E -ce 74 149A 0 51,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.945 30.6-164.4-102.0 120.7 29.7 33.1 79.9
98 98 L E -ce 75 150A 25 -24,-2.7 -22,-1.6 -2,-0.7 2,-0.3 -0.865 20.0-128.2-112.5 138.9 31.9 36.1 79.3
99 99 V E -c 76 0A 2 51,-2.6 -22,-0.2 -2,-0.4 -24,-0.0 -0.642 32.3-120.6 -77.2 139.8 35.2 37.0 80.8
100 100 V - 0 0 29 -24,-1.8 -1,-0.1 -2,-0.3 -23,-0.1 0.923 22.7-137.7 -60.5 -51.3 35.0 40.4 82.2
101 101 G + 0 0 9 1,-0.5 58,-1.3 57,-0.1 2,-0.4 0.469 60.8 120.5 111.7 -20.1 37.6 42.3 80.4
102 102 P B > -e 159 0C 13 0, 0.0 4,-0.9 0, 0.0 -1,-0.5 -0.788 55.2-148.2 -82.5 142.5 39.1 44.2 83.2
103 103 G H > S+ 0 0 1 56,-0.8 4,-1.8 -2,-0.4 3,-0.3 0.874 96.5 55.8 -69.6 -39.7 42.8 43.5 83.6
104 104 T H 4 S+ 0 0 82 1,-0.2 -1,-0.2 2,-0.2 56,-0.0 0.863 99.8 57.3 -63.3 -39.8 42.6 44.1 87.3
105 105 I H 4 S+ 0 0 22 1,-0.3 -27,-0.2 -74,-0.0 -1,-0.2 0.883 113.6 40.7 -62.6 -39.5 39.8 41.6 87.9
106 106 N H < S+ 0 0 4 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.798 96.1 110.9 -72.2 -31.6 42.1 39.0 86.5
107 107 G S < S- 0 0 7 -4,-1.8 22,-0.2 22,-0.2 10,-0.1 0.001 73.5-129.8 -56.4 151.6 45.1 40.3 88.2
108 108 N S S- 0 0 96 20,-0.5 2,-0.3 6,-0.1 -1,-0.1 0.854 83.7 -20.9 -66.1 -38.9 46.8 38.4 91.0
109 109 G S S- 0 0 23 1,-0.3 3,-0.1 19,-0.2 8,-0.1 -0.852 93.6 -45.1-155.6-167.9 46.7 41.5 93.2
110 110 N S S- 0 0 137 -2,-0.3 2,-1.3 1,-0.2 -1,-0.3 0.068 78.5 -74.7 -61.8 177.0 46.5 45.2 93.2
111 111 I S S+ 0 0 134 3,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.653 87.6 115.1 -85.0 101.1 48.5 47.2 90.8
112 112 W S S- 0 0 193 3,-1.4 -3,-0.1 -2,-1.3 0, 0.0 -0.801 84.5 -84.9-144.3-175.3 52.0 47.0 92.2
113 113 W S S+ 0 0 194 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.945 127.4 51.5 -62.3 -43.6 55.2 45.5 91.0
114 114 K S S+ 0 0 92 1,-0.1 2,-0.6 -3,-0.1 -1,-0.2 0.910 110.7 46.8 -63.0 -44.9 54.1 42.2 92.4
115 115 N + 0 0 31 -5,-0.3 -3,-1.4 -7,-0.1 2,-0.3 -0.849 68.3 150.5-108.4 125.1 50.7 42.0 90.9
116 116 S + 0 0 8 -2,-0.6 2,-0.3 -5,-0.1 12,-0.3 -0.922 11.2 165.1-155.3 129.6 50.2 42.8 87.3
117 117 C S S+ 0 0 8 -2,-0.3 69,-0.2 1,-0.1 12,-0.1 -0.822 71.4 34.4-127.8 167.6 47.8 41.7 84.6
118 118 K S S+ 0 0 45 67,-1.8 2,-0.3 -2,-0.3 -1,-0.1 0.816 103.1 104.1 55.1 34.6 47.2 43.4 81.2
119 119 I S S- 0 0 72 66,-0.4 66,-2.9 -3,-0.2 -1,-0.2 -0.846 79.6-117.1-137.8 169.7 50.9 44.2 81.2
120 120 K - 0 0 71 -2,-0.3 64,-0.2 64,-0.3 2,-0.2 -0.896 50.5-169.8-106.7 95.3 54.1 43.0 79.6
121 121 P - 0 0 8 0, 0.0 5,-0.2 0, 0.0 6,-0.0 -0.514 40.6-134.1 -95.9 163.0 56.0 41.9 82.6
122 122 Q S S+ 0 0 146 -2,-0.2 3,-0.1 3,-0.1 61,-0.0 0.772 86.3 91.6 -68.0 -35.5 59.5 40.8 83.5
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