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 .
129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
6640.6 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
49 38.0 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 3.1 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 .
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 .
13 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
9 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
17 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
2 1.6 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 1 0 0 0 0 1 0 0 0 0 0 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 .
2 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 M 0 0 126 0, 0.0 6,-0.1 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0-149.1 8.7 -1.5 -15.3
2 2 E > + 0 0 172 2,-0.1 3,-0.8 4,-0.1 117,-0.1 0.545 360.0 55.4-116.1 -26.4 11.2 -1.2 -12.3
3 3 T T 3 S+ 0 0 41 1,-0.3 120,-2.2 119,-0.1 2,-0.1 0.833 133.0 14.9 -63.9 -40.3 11.8 2.4 -13.4
4 4 V B 3 S-A 122 0A 18 118,-0.3 -1,-0.3 1,-0.1 118,-0.3 -0.532 89.5-175.0-128.4 74.5 8.2 2.5 -13.0
5 5 T < + 0 0 40 116,-2.2 2,-0.9 -3,-0.8 115,-0.2 0.677 62.1 66.5 -65.6 -36.3 7.7 -0.6 -11.1
6 6 S >> - 0 0 11 113,-0.7 2,-1.0 115,-0.2 4,-0.6 -0.728 52.1-171.2 -84.2 110.3 3.8 -0.6 -11.1
7 7 L T 34 + 0 0 114 -2,-0.9 -1,-0.1 2,-0.2 -2,-0.1 -0.698 44.2 136.1 -84.4 70.2 2.1 -1.0 -14.3
8 8 V T 34 S- 0 0 73 -2,-1.0 -1,-0.2 112,-0.1 -3,-0.1 0.733 115.1 -38.0 -62.8 -43.3 -0.9 -0.1 -12.1
9 9 F T X4 S- 0 0 114 -3,-0.6 3,-2.0 0, 0.0 -2,-0.2 0.118 78.7-110.9-158.3 66.0 -0.7 1.6 -15.5
10 10 I T 3< S+ 0 0 59 -4,-0.6 -3,-0.2 1,-0.4 -5,-0.1 0.586 117.2 21.7 48.8 40.8 2.9 2.3 -16.1
11 11 V T >> S+ 0 0 66 -5,-0.3 4,-1.0 -7,-0.0 3,-0.7 -0.336 119.8 60.1 145.1 -50.5 2.2 6.2 -15.7
12 12 N H <> S+ 0 0 73 -3,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.695 91.3 71.6 -66.2 -16.5 -1.0 5.8 -13.7
13 13 L H 3> S+ 0 0 1 -7,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.787 93.1 56.7 -65.0 -34.3 1.4 4.1 -11.3
14 14 L H <> S+ 0 0 22 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.908 108.1 44.5 -59.9 -50.8 2.6 7.7 -10.8
15 15 I H X S+ 0 0 93 -4,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.924 115.0 47.8 -62.4 -44.8 -0.8 8.7 -9.8
16 16 I H X S+ 0 0 56 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.883 113.7 47.7 -63.7 -42.1 -1.2 5.7 -7.6
17 17 F H X S+ 0 0 5 -4,-2.7 4,-2.7 103,-0.2 -1,-0.2 0.904 108.9 52.4 -61.9 -43.4 2.1 6.2 -6.0
18 18 T H X S+ 0 0 20 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.931 113.7 47.2 -59.5 -42.3 1.4 9.8 -5.5
19 19 S H X S+ 0 0 53 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.906 114.5 42.5 -63.7 -43.7 -1.9 8.5 -3.8
20 20 V H X S+ 0 0 59 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.949 120.8 46.7 -66.4 -43.8 -0.3 5.9 -1.5
21 21 V H < S+ 0 0 3 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.848 107.0 50.3 -64.8 -46.6 2.4 8.2 -0.7
22 22 N H < S+ 0 0 27 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.888 117.2 41.2 -64.2 -43.0 0.7 11.4 0.0
23 23 Q H < S+ 0 0 136 -4,-1.5 2,-0.2 -5,-0.3 -2,-0.2 0.935 120.3 12.2 -65.9 -45.9 -1.7 9.8 2.4
24 24 A < + 0 0 52 -4,-2.2 -1,-0.2 -5,-0.2 4,-0.2 -0.827 64.4 94.1-163.8 101.0 0.6 7.4 4.3
25 25 R S S- 0 0 139 -2,-0.2 -1,-0.1 -3,-0.2 3,-0.1 -0.083 109.4 -88.6-106.8 10.0 4.1 6.0 5.3
26 26 G S S+ 0 0 58 -5,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.375 119.9 116.7 69.3 8.1 3.2 8.4 7.9
27 27 D + 0 0 29 -6,-0.2 -3,-0.2 2,-0.1 -1,-0.0 -0.909 37.7 158.6 -84.3 78.9 5.0 10.1 5.2
28 28 T S S+ 0 0 63 -2,-0.5 -1,-0.1 -4,-0.2 2,-0.1 0.148 80.1 13.3-117.9 -1.7 2.0 12.0 4.8
29 29 C S S- 0 0 11 4,-0.1 2,-0.2 -8,-0.1 5,-0.2 0.177 120.5-100.8 -98.3 -92.5 3.5 14.8 3.0
30 30 I B > -B 33 0B 7 3,-0.9 3,-2.2 5,-0.1 39,-0.1 -0.455 33.4-117.0-140.6 144.8 6.5 12.9 2.5
31 31 D T 3 S+ 0 0 78 1,-0.3 3,-0.0 -2,-0.2 -4,-0.0 0.710 110.6 34.9 -60.0 -37.0 8.7 14.3 5.2
32 32 G T 3 S+ 0 0 23 2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.805 132.0 1.1 -59.3 -40.5 11.3 15.6 2.7
33 33 L B < -B 30 0B 23 -3,-2.2 -3,-0.9 1,-0.2 3,-0.2 -0.645 68.6-126.5-159.9 172.0 9.0 16.7 -0.2
34 34 G - 0 0 0 -2,-0.2 2,-0.3 -5,-0.2 -1,-0.2 0.812 32.6-178.6-104.5 -90.4 5.4 16.7 -1.0
35 35 Y S S+ 0 0 8 2,-0.1 -1,-0.2 -13,-0.0 -5,-0.1 -0.676 76.9 170.2 63.1 -46.8 3.4 15.5 -3.7
36 36 C - 0 0 6 -2,-0.3 2,-0.2 -3,-0.2 -14,-0.1 0.275 44.7-122.5 75.5-172.3 1.7 17.3 -0.9
37 37 N S S- 0 0 60 32,-0.1 3,-0.2 35,-0.0 -2,-0.1 -0.507 83.6 -34.7-171.8-168.0 -1.6 18.9 0.1
38 38 N S S+ 0 0 140 1,-0.2 2,-0.1 -2,-0.2 -2,-0.0 0.563 108.2 161.7 -73.5 8.0 -2.2 22.5 1.0
39 39 C + 0 0 36 1,-0.0 -1,-0.2 2,-0.0 3,-0.2 -0.076 13.9 124.6 68.6-106.5 1.2 21.5 2.3
40 40 D + 0 0 56 -3,-0.2 15,-0.1 29,-0.2 -1,-0.0 -0.187 42.5 54.0 -98.6 101.2 3.9 23.6 3.3
41 41 E S > S+ 0 0 152 -2,-0.2 3,-1.0 13,-0.1 -1,-0.1 0.191 107.3 32.0-131.8 -54.2 6.2 24.2 6.3
42 42 R T 3 S+ 0 0 150 1,-0.2 -2,-0.1 -3,-0.2 -13,-0.0 0.885 128.4 39.9 -58.3 -43.2 8.0 21.0 7.5
43 43 C T 3 S+ 0 0 0 -4,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.149 115.4 69.2 -97.1 17.7 8.2 19.5 4.1
44 44 K S < S+ 0 0 44 -3,-1.0 6,-0.1 1,-0.1 25,-0.1 -0.787 75.3 48.5-135.8 169.5 9.1 22.9 2.6
45 45 A S S+ 0 0 32 4,-0.6 5,-0.2 -2,-0.3 -1,-0.1 0.539 78.0 154.1 68.6 23.7 11.9 25.2 2.7
46 46 K + 0 0 101 1,-0.2 -2,-0.1 -3,-0.2 4,-0.1 0.805 67.2 6.4 -65.3 -40.4 13.7 22.0 1.9
47 47 H S S- 0 0 91 2,-0.3 -1,-0.2 21,-0.1 3,-0.1 0.914 146.4 -4.2 -84.5 -52.0 16.8 23.0 0.1
48 48 G S S- 0 0 42 1,-0.4 2,-0.1 2,-0.0 -4,-0.0 0.497 100.2 -81.8-106.2-134.1 16.6 26.7 0.4
49 49 P S >>S- 0 0 67 0, 0.0 4,-1.3 0, 0.0 5,-0.8 -0.181 75.6 -46.5-110.3-119.8 13.7 28.3 2.0
50 50 S I 4>S+ 0 0 55 1,-0.2 5,-0.6 2,-0.2 -5,-0.1 0.884 134.9 55.6 -66.9 -40.3 10.3 29.2 0.3
51 51 S I 45S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.1 14,-0.2 0.901 108.1 48.1 -62.2 -39.4 11.8 30.6 -2.7
52 52 E I 45S- 0 0 58 1,-0.1 13,-0.5 12,-0.1 -1,-0.2 0.941 134.2 -26.7 -68.7 -49.8 13.7 27.5 -3.4
53 53 S I <5S+ 0 0 0 -4,-1.3 14,-0.5 12,-0.1 -3,-0.2 0.757 95.5 102.7-121.3 -53.5 11.3 24.7 -3.1
54 54 S I - 0 0 55 3,-0.1 3,-0.9 17,-0.1 -1,-0.2 -0.933 57.5-172.0-120.4 122.7 2.0 26.9 -10.3
59 59 V T 3 + 0 0 12 -2,-0.4 7,-0.1 1,-0.3 16,-0.1 -0.148 65.6 112.8 -88.8 24.6 5.5 25.8 -11.1
60 60 G T 3 S- 0 0 46 1,-0.1 -1,-0.3 5,-0.1 15,-0.1 0.201 95.5-119.0 -80.0 5.2 4.4 26.9 -14.3
61 61 V S < S+ 0 0 73 -3,-0.9 2,-3.0 3,-0.2 -3,-0.1 -0.928 72.8 167.7 158.8 -76.1 7.1 28.9 -12.8
62 62 P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.249 111.1 11.1 11.5 -31.9 8.0 32.3 -11.5
63 63 L S S- 0 0 70 -2,-3.0 -2,-0.2 1,-0.1 -11,-0.0 -0.808 95.4-104.2-130.1 168.9 11.0 30.1 -10.1
64 64 C + 0 0 30 -2,-0.3 -3,-0.2 1,-0.1 -1,-0.1 0.988 65.7 159.8 -60.8 -44.0 11.6 26.5 -11.2
65 65 K + 0 0 39 -13,-0.5 -1,-0.1 -14,-0.2 -12,-0.1 0.578 18.6 141.0 55.6 30.2 10.1 26.1 -7.8
66 66 C + 0 0 9 -14,-0.1 30,-0.8 -7,-0.1 2,-0.3 -0.061 44.9 32.1-113.9 20.6 9.3 22.8 -9.0
67 67 Y S S+ 0 0 0 -14,-0.5 27,-0.1 1,-0.3 -34,-0.0 -0.726 78.7 68.4-164.5-178.1 9.8 20.2 -6.3
68 68 Y S S- 0 0 10 -2,-0.3 -1,-0.3 1,-0.1 -23,-0.2 0.957 125.5 -3.1 35.1 104.5 9.4 20.0 -2.6
69 69 E S S+ 0 0 0 -39,-0.1 -29,-0.2 -25,-0.1 -13,-0.2 0.817 87.2 158.6 64.8 30.5 5.9 20.3 -1.7
70 70 C - 0 0 0 -15,-0.1 -14,-0.3 1,-0.1 -11,-0.1 0.804 37.5-148.0 -60.2 -42.4 5.4 20.7 -5.3
71 71 E - 0 0 37 1,-0.1 -35,-0.1 2,-0.1 -1,-0.1 0.833 33.5-106.8 61.7 32.4 1.7 19.6 -4.8
72 72 S S > S+ 0 0 22 1,-0.3 3,-1.4 2,-0.1 -1,-0.1 -0.411 101.6 53.5 93.1 -84.8 1.5 17.9 -8.2
73 73 P T 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.457 83.5 82.8 -74.5 -4.0 -0.6 19.9 -10.8
74 74 P T 3 S+ 0 0 10 0, 0.0 -2,-0.1 0, 0.0 -17,-0.1 0.896 105.2 41.9 -51.3 -32.0 1.2 23.1 -10.5
75 75 S < + 0 0 16 -3,-1.4 -3,-0.1 -17,-0.1 -17,-0.1 -0.527 66.4 141.3-123.0 54.2 3.2 21.0 -12.8
76 76 P + 0 0 74 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.701 19.6 175.1 -90.5 74.2 1.1 19.3 -15.1
77 77 P - 0 0 49 0, 0.0 -2,-0.1 0, 0.0 5,-0.0 -0.848 52.8-113.3 -65.6 130.9 3.4 19.8 -17.8
78 78 A - 0 0 62 -2,-0.6 5,-0.1 1,-0.2 6,-0.1 -0.831 34.1 -75.3-132.2 103.5 1.0 17.8 -19.4
79 79 P + 0 0 99 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.487 45.6 158.5 -59.8 128.0 1.5 14.5 -20.5
80 80 P S S- 0 0 80 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.671 95.4 -84.6 -76.0 50.5 3.3 13.7 -23.5
81 81 K S S+ 0 0 176 1,-0.2 2,-0.2 2,-0.1 -3,-0.1 0.804 115.5 80.0 52.4 32.4 3.4 10.6 -21.5
82 82 K S S- 0 0 60 1,-0.1 -1,-0.2 18,-0.1 6,-0.1 -0.877 99.4 -90.7-159.7 164.8 6.4 12.5 -20.0
83 83 C S S- 0 0 16 -2,-0.2 2,-0.3 3,-0.2 16,-0.1 0.952 105.8 -16.6 -61.4 -45.7 7.5 15.3 -17.6
84 84 D S S- 0 0 63 2,-0.8 5,-0.3 -4,-0.1 -1,-0.2 -0.838 88.6 -77.3-154.2 179.7 7.4 17.9 -20.3
85 85 G S S+ 0 0 62 -2,-0.3 2,-0.4 3,-0.1 -2,-0.0 0.678 111.7 87.6 -67.6 -18.1 7.3 17.9 -24.1
86 86 G S > S- 0 0 21 3,-0.1 3,-1.2 -4,-0.0 -2,-0.8 -0.712 109.7 -71.6 -84.8 127.6 10.9 17.2 -23.6
87 87 A T 3 S- 0 0 79 -2,-0.4 2,-0.3 1,-0.3 14,-0.1 -0.117 105.2 -51.2 50.9-126.5 12.6 13.9 -23.1
88 88 G T 3 S- 0 0 7 11,-0.2 2,-1.2 -6,-0.1 -1,-0.3 -0.876 81.3-151.2-106.1 121.2 11.2 13.6 -19.8
89 89 I < + 0 0 62 -3,-1.2 -3,-0.1 -2,-0.3 -2,-0.1 -0.721 30.8 167.8 -97.9 99.1 12.4 17.0 -18.9
90 90 C - 0 0 1 -2,-1.2 3,-0.4 9,-0.2 -1,-0.2 0.867 27.9-170.5 -60.1 -45.8 13.0 17.1 -15.4
91 91 S > - 0 0 47 1,-0.2 3,-0.9 -3,-0.2 -1,-0.1 -0.154 51.5 -19.1 54.2-155.5 14.8 20.4 -15.6
92 92 Q T 3 S- 0 0 114 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.723 136.3 -9.1 -61.2 -38.1 16.7 22.0 -12.9
93 93 R T 3 + 0 0 46 -3,-0.4 2,-3.0 3,-0.1 -1,-0.3 -0.291 67.7 174.4-145.3 57.3 15.2 20.2 -9.8
94 94 C < + 0 0 8 33,-0.9 5,-0.2 -3,-0.9 -27,-0.1 -0.182 21.9 141.9 -90.3 70.8 12.3 18.0 -10.7
95 95 Q + 0 0 9 -2,-3.0 2,-0.7 1,-0.1 -1,-0.2 0.674 58.3 71.4 -93.8 -5.1 11.5 16.2 -7.4
96 96 G S S- 0 0 2 -30,-0.8 -1,-0.1 -3,-0.3 -3,-0.1 -0.931 115.5 -22.4-103.9 120.0 7.8 16.3 -7.8
97 97 Q S S- 0 0 39 -2,-0.7 2,-0.4 25,-0.1 -14,-0.1 0.015 92.1 -80.1 66.7-178.6 6.7 13.8 -10.7
98 98 C - 0 0 13 -3,-0.1 2,-1.0 -16,-0.1 3,-0.2 -0.941 29.8-160.6-148.6 148.8 9.2 12.9 -13.3
99 99 C > + 0 0 0 -2,-0.4 4,-3.7 1,-0.2 5,-0.3 -0.587 61.4 178.9 -82.7 56.3 11.3 13.0 -16.3
100 100 D H > + 0 0 14 -2,-1.0 4,-3.3 1,-0.4 24,-0.3 0.752 66.6 34.9 -60.7 -50.0 11.0 9.4 -15.3
101 101 M H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.4 0.935 123.8 47.8 -63.9 -43.2 12.9 7.6 -17.8
102 102 N H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -2,-0.3 0.879 111.7 49.1 -64.9 -33.5 15.3 10.5 -17.9
103 103 C H X S+ 0 0 0 -4,-3.7 4,-1.2 1,-0.2 -2,-0.2 0.951 112.1 50.9 -61.2 -44.8 15.6 10.7 -14.1
104 104 A H < S+ 0 0 1 -4,-3.3 -2,-0.2 -5,-0.3 -1,-0.2 0.700 115.4 39.6 -72.9 -17.8 16.2 7.1 -14.2
105 105 Q H < S+ 0 0 141 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.694 122.5 41.2 -98.0 -18.5 19.0 7.4 -16.9
106 106 K H < S+ 0 0 89 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.397 83.5 95.4 -94.7 1.9 20.6 10.5 -15.5
107 107 Y S < S- 0 0 61 -4,-1.2 3,-0.2 -5,-0.1 -1,-0.1 0.849 91.7-130.0 -56.1 -28.6 20.3 9.4 -11.9
108 108 I - 0 0 116 -3,-0.2 2,-2.5 -4,-0.1 3,-0.3 0.970 33.2-103.5 75.1 79.7 24.0 8.2 -12.4
109 109 G S S+ 0 0 67 1,-0.2 2,-0.2 -4,-0.1 -1,-0.1 -0.271 111.2 54.0 -72.6 63.1 23.5 4.7 -11.0
110 110 G S S+ 0 0 74 -2,-2.5 -1,-0.2 -3,-0.2 -2,-0.1 0.208 105.9 52.7 -90.5 -90.0 24.9 4.8 -7.8
111 111 H + 0 0 111 -3,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.025 58.7 122.0 -64.6 134.3 23.0 7.7 -6.5
112 112 G + 0 0 28 -3,-0.1 3,-0.1 13,-0.1 14,-0.1 -0.554 20.6 177.9 171.6 120.2 19.3 8.2 -6.5
113 113 F S S+ 0 0 90 12,-0.2 3,-0.1 -2,-0.2 11,-0.1 -0.158 73.5 77.0-126.6 28.7 17.1 8.8 -3.7
114 114 C + 0 0 11 1,-0.1 8,-0.3 -11,-0.1 -1,-0.1 0.186 64.9 111.8-104.6 24.3 13.7 9.2 -5.5
115 115 N - 0 0 65 1,-0.1 -2,-0.1 -3,-0.1 -1,-0.1 0.763 59.0-162.7 -60.6 -45.4 13.8 5.4 -5.8
116 116 T - 0 0 32 1,-0.1 2,-3.3 5,-0.1 4,-0.2 0.490 13.3-144.4 57.4 19.3 10.9 4.9 -3.4
117 117 L S S+ 0 0 154 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.053 73.6 90.7 64.8 -54.8 11.6 1.3 -2.7
118 118 G S S- 0 0 46 -2,-3.3 2,-0.9 1,-0.1 -1,-0.2 -0.036 95.4-109.3 -99.1 18.5 8.1 0.0 -2.5
119 119 T S S+ 0 0 80 -2,-0.3 -113,-0.7 1,-0.2 -1,-0.1 -0.175 114.1 80.2 79.8 -40.2 7.0 -1.1 -6.1
120 120 F S S+ 0 0 74 -2,-0.9 -103,-0.2 -4,-0.2 -1,-0.2 0.676 79.9 130.4 -65.7 -1.2 4.6 1.9 -6.4
121 121 S + 0 0 5 -5,-0.2 -116,-2.2 -117,-0.1 2,-0.3 -0.273 33.4 169.6 -68.1 126.7 8.1 3.3 -7.1
122 122 F B -A 4 0A 2 -8,-0.3 -118,-0.3 -118,-0.3 -119,-0.1 -0.967 48.1 -0.6-130.9 142.0 8.8 5.3 -10.1
123 123 C - 0 0 4 -120,-2.2 2,-0.3 -2,-0.3 -22,-0.1 0.332 51.1-132.7 80.9 150.4 12.1 7.4 -10.9
124 124 Q - 0 0 32 -24,-0.3 2,-0.5 -13,-0.1 -1,-0.2 -0.829 41.4-155.5-120.3 124.4 15.2 7.8 -8.8
125 125 C + 0 0 2 -2,-0.3 -12,-0.2 -30,-0.1 -13,-0.1 -0.854 29.8 175.5-118.9 120.3 15.4 11.6 -9.2
126 126 E - 0 0 23 -2,-0.5 -1,-0.1 3,-0.2 -31,-0.1 -0.178 34.5-135.2-120.1 30.0 18.5 13.7 -8.9
127 127 Y S S+ 0 0 31 1,-0.2 -33,-0.9 -33,-0.1 -1,-0.1 -0.267 72.2 111.2 72.6 -60.2 17.3 17.1 -9.8
128 128 P 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -25,-0.0 0.430 360.0 360.0 -61.1 -31.9 20.1 18.1 -12.1
129 129 C 0 0 49 -27,-0.1 -3,-0.2 -30,-0.0 -30,-0.1 -0.850 360.0 360.0 177.9 360.0 18.0 18.1 -15.4