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 .
648 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
44397.3 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
260 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
6 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
36 5.6 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 .
1 0.2 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 .
1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
2 0.3 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 .
55 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
21 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
83 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 .
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 4 1 0 1 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
3 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 .
3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER .
1 0 1 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 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 0 161 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.7 53.3 -79.8 234.8
2 2 Y - 0 0 185 3,-0.0 2,-0.5 2,-0.0 0, 0.0 -0.946 360.0-151.6-113.2 125.1 52.3 -79.4 231.2
3 3 A - 0 0 75 -2,-0.5 2,-0.2 1,-0.0 0, 0.0 -0.810 23.2-120.8 -94.9 134.4 54.9 -80.1 228.6
4 4 W - 0 0 199 -2,-0.5 2,-0.3 1,-0.0 3,-0.0 -0.550 31.3-159.1 -73.9 136.6 54.4 -78.1 225.4
5 5 K - 0 0 148 -2,-0.2 2,-0.1 1,-0.0 -1,-0.0 -0.842 24.8 -98.0-116.3 155.6 54.1 -80.5 222.5
6 6 C - 0 0 100 -2,-0.3 2,-0.4 1,-0.0 -1,-0.0 -0.417 38.4-143.1 -69.4 146.4 54.6 -79.7 218.9
7 7 W - 0 0 214 -2,-0.1 2,-0.7 2,-0.0 -1,-0.0 -0.864 9.9-125.8-112.3 147.0 51.4 -79.0 217.1
8 8 V + 0 0 137 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.821 55.2 127.5 -94.0 116.3 50.7 -80.1 213.6
9 9 A - 0 0 83 -2,-0.7 2,-0.3 2,-0.0 -2,-0.0 -0.981 32.5-169.4-159.9 161.7 49.7 -77.1 211.5
10 10 G - 0 0 79 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.960 6.1-160.3-156.5 141.8 50.5 -75.3 208.4
11 11 E - 0 0 182 -2,-0.3 2,-0.1 0, 0.0 -2,-0.0 -0.978 28.7-111.8-127.5 140.5 49.5 -72.0 207.0
12 12 A - 0 0 97 -2,-0.4 2,-0.4 1,-0.0 -2,-0.0 -0.440 34.4-160.2 -67.2 141.8 49.7 -70.9 203.4
13 13 A - 0 0 100 -2,-0.1 2,-0.4 2,-0.0 -1,-0.0 -0.984 10.0-177.1-125.2 137.6 52.3 -68.3 203.0
14 14 S - 0 0 123 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.996 9.4-168.2-136.4 141.1 52.4 -65.9 200.1
15 15 I - 0 0 167 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.994 7.1-169.2-125.9 131.7 54.9 -63.2 199.1
16 16 I - 0 0 131 -2,-0.4 2,-0.7 2,-0.0 -2,-0.0 -0.976 10.1-156.2-123.0 132.4 54.1 -60.8 196.4
17 17 D - 0 0 129 -2,-0.5 2,-0.9 2,-0.1 -2,-0.0 -0.925 12.0-154.9-105.1 115.5 56.6 -58.4 195.0
18 18 H + 0 0 138 -2,-0.7 2,-0.4 2,-0.0 -2,-0.0 -0.794 31.0 150.0 -94.2 110.2 54.9 -55.5 193.5
19 19 V - 0 0 99 -2,-0.9 2,-0.4 2,-0.0 -2,-0.1 -0.993 25.2-161.2-137.1 143.8 57.1 -54.0 190.8
20 20 L + 0 0 127 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.988 11.3 173.0-129.7 136.2 56.0 -52.1 187.7
21 21 S - 0 0 107 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.998 8.5-169.3-136.3 138.5 58.0 -51.5 184.6
22 22 R + 0 0 205 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.985 16.0 154.5-132.9 126.9 56.6 -49.9 181.5
23 23 S + 0 0 116 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.953 6.3 145.9-150.0 129.4 58.3 -49.7 178.2
24 24 R + 0 0 205 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.938 12.0 175.9-160.7 139.5 56.9 -49.5 174.7
25 25 S + 0 0 114 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.959 12.6 149.6-147.8 129.3 57.9 -47.8 171.5
26 26 N + 0 0 117 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.889 8.5 169.1-158.7 128.5 56.3 -47.9 168.1
27 27 E + 0 0 190 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.835 19.8 143.7-141.6 104.4 56.1 -45.4 165.3
28 28 I + 0 0 125 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.996 9.4 159.1-140.1 134.6 54.8 -46.6 162.0
29 29 M + 0 0 179 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.917 2.7 162.7-154.5 127.7 52.7 -44.7 159.5
30 30 R - 0 0 202 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.955 10.8-178.5-149.3 130.5 52.1 -45.3 155.9
31 31 F + 0 0 180 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.975 18.0 164.4-125.9 115.9 49.5 -44.0 153.6
32 32 I + 0 0 134 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.996 16.0 173.1-136.0 135.2 49.8 -45.2 150.0
33 33 H + 0 0 143 -2,-0.4 2,-0.4 0, 0.0 -2,-0.0 -0.864 22.4 153.4-136.7 104.2 47.3 -45.2 147.2
34 34 I + 0 0 146 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.990 33.2 37.5-135.8 142.9 48.7 -46.2 143.9
35 35 G - 0 0 55 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.440 44.3-165.6 98.6 129.3 47.3 -47.8 140.8
36 36 L - 0 0 144 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.989 13.8-141.1-142.8 141.7 44.1 -47.3 139.0
37 37 L + 0 0 159 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.889 25.1 168.2-110.1 137.2 42.7 -49.6 136.3
38 38 C - 0 0 102 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.994 16.4-163.1-144.1 149.7 40.9 -48.3 133.3
39 39 V - 0 0 125 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.981 9.5-160.9-130.5 143.8 39.7 -49.7 130.0
40 40 Q - 0 0 165 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.962 4.9-154.7-128.3 146.9 38.7 -47.8 127.0
41 41 E - 0 0 173 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.948 8.3-155.3-117.0 138.2 36.7 -48.7 124.0
42 42 N - 0 0 150 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.947 5.0-157.5-114.7 134.5 37.1 -47.0 120.7
43 43 V - 0 0 115 -2,-0.5 2,-0.2 0, 0.0 -2,-0.0 -0.923 20.6-123.4-111.6 133.1 34.3 -47.0 118.2
44 44 S - 0 0 114 -2,-0.5 2,-0.4 1,-0.0 -2,-0.0 -0.555 29.4-159.2 -71.8 137.7 35.0 -46.5 114.6
45 45 K - 0 0 162 -2,-0.2 3,-0.0 2,-0.0 -1,-0.0 -0.945 24.4-111.9-118.2 138.5 33.0 -43.5 113.4
46 46 R - 0 0 193 -2,-0.4 4,-0.0 1,-0.2 -2,-0.0 -0.589 27.6-139.2 -72.0 124.4 32.2 -42.9 109.8
47 47 P S S+ 0 0 120 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.804 79.7 43.5 -53.2 -37.8 34.2 -39.9 109.0
48 48 T - 0 0 78 1,-0.2 3,-0.1 -3,-0.0 -2,-0.0 -0.875 66.2-142.3-121.6 149.1 31.5 -38.3 106.9
49 49 M S S- 0 0 185 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.933 86.0 -35.4 -64.0 -45.4 27.8 -37.9 107.3
50 50 S - 0 0 84 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.935 65.6 -94.8-163.6 178.0 27.5 -38.4 103.6
51 51 A - 0 0 96 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.917 39.6-178.7-109.7 134.6 29.2 -37.8 100.4
52 52 Y - 0 0 184 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.979 6.8-173.0-134.4 147.3 28.2 -34.8 98.4
53 53 T - 0 0 118 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.937 12.9-142.6-134.3 157.9 29.3 -33.4 95.0
54 54 R - 0 0 171 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.922 10.2-153.9-121.9 149.1 28.6 -30.3 93.2
55 55 I - 0 0 113 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.945 2.5-152.1-123.3 143.0 28.1 -29.8 89.4
56 56 R + 0 0 227 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.961 25.9 159.0-115.3 130.7 28.7 -26.8 87.4
57 57 K - 0 0 161 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.883 31.1-120.2-140.6 170.8 26.7 -26.3 84.2
58 58 S - 0 0 80 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.887 8.5-150.7-120.3 150.8 25.7 -23.4 82.0
59 59 Y + 0 0 191 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.982 30.7 158.2-117.3 121.5 22.4 -22.0 81.0
60 60 N - 0 0 135 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.980 20.0-175.5-144.4 156.1 22.3 -20.4 77.6
61 61 G - 0 0 69 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.975 5.9-168.7-150.6 138.4 19.7 -19.5 74.9
62 62 I - 0 0 131 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.990 1.4-166.4-132.5 138.1 20.3 -18.1 71.5
63 63 N + 0 0 160 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.972 14.7 160.7-124.3 140.7 17.7 -16.7 69.2
64 64 E + 0 0 162 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.978 4.3 166.6-153.4 146.3 18.2 -15.9 65.5
65 65 A - 0 0 93 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.988 8.5-173.2-158.6 154.7 15.9 -15.4 62.6
66 66 Q - 0 0 178 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.958 18.4-133.4-145.6 163.1 15.9 -14.1 59.1
67 67 Y - 0 0 199 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.974 16.9-143.6-121.8 135.2 13.4 -13.3 56.4
68 68 D + 0 0 142 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.856 24.0 172.7-101.8 128.2 13.9 -14.4 52.8
69 69 Y + 0 0 194 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.959 16.9 112.4-131.3 151.8 12.8 -12.2 50.1
70 70 G - 0 0 50 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.969 31.0-156.7 170.1-178.2 13.3 -12.4 46.3
71 71 G - 0 0 67 -2,-0.3 2,-0.3 103,-0.1 -2,-0.0 -0.948 2.9-157.1-176.3 161.1 11.6 -12.9 43.0
72 72 Q - 0 0 61 -2,-0.3 3,-0.1 87,-0.0 2,-0.1 -0.858 43.2 -66.0-142.5 175.3 12.2 -14.0 39.5
73 73 S S S- 0 0 11 -2,-0.3 127,-0.1 99,-0.1 3,-0.1 -0.397 70.6 -87.6 -65.6 143.4 10.8 -13.6 36.0
74 74 K B -a 200 0A 70 125,-1.3 127,-0.7 124,-0.3 3,-0.2 -0.287 61.6 -87.6 -60.0 135.7 7.4 -15.2 35.8
75 75 L - 0 0 130 1,-0.2 -1,-0.1 125,-0.1 126,-0.1 0.018 57.8 -82.2 -52.3 144.0 8.0 -18.8 34.8
76 76 R - 0 0 73 -3,-0.1 126,-0.2 124,-0.1 2,-0.2 -0.131 43.4-132.7 -51.1 133.7 8.2 -19.4 31.2
77 77 F - 0 0 9 124,-2.4 126,-0.3 -3,-0.2 2,-0.2 -0.557 21.5-116.1 -81.0 153.7 4.9 -19.7 29.5
78 78 D > - 0 0 70 -2,-0.2 4,-1.5 1,-0.1 5,-0.2 -0.558 23.3-117.7 -82.3 160.7 4.4 -22.6 27.2
79 79 F H > S+ 0 0 37 1,-0.2 4,-1.9 -2,-0.2 -1,-0.1 0.898 115.5 53.8 -64.0 -39.1 3.9 -21.7 23.6
80 80 R H > S+ 0 0 143 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.890 102.3 55.6 -64.9 -38.8 0.5 -23.3 23.8
81 81 M H > S+ 0 0 81 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.926 111.4 44.4 -61.7 -42.7 -0.7 -21.3 26.8
82 82 I H X S+ 0 0 4 -4,-1.5 4,-2.5 1,-0.2 7,-0.3 0.850 109.0 59.0 -67.7 -35.0 0.0 -18.1 24.9
83 83 L H X>S+ 0 0 31 -4,-1.9 5,-3.4 1,-0.2 4,-1.2 0.938 108.2 44.2 -60.0 -45.0 -1.6 -19.6 21.9
84 84 T H <5S+ 0 0 92 -4,-2.6 3,-0.4 2,-0.2 -2,-0.2 0.915 113.0 50.5 -67.1 -39.8 -4.8 -20.0 23.9
85 85 A H <5S+ 0 0 14 -4,-2.2 24,-0.9 1,-0.2 -1,-0.2 0.871 117.7 41.4 -61.9 -39.2 -4.6 -16.6 25.4
86 86 T H X5S- 0 0 1 -4,-2.5 4,-1.5 22,-0.2 -1,-0.2 0.556 112.0-118.4 -80.3 -16.5 -4.1 -15.2 21.9
87 87 D T <5S- 0 0 100 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.952 79.7 -47.3 67.7 49.0 -6.7 -17.4 20.3
88 88 D T 4X - 0 0 21 -4,-1.5 3,-0.6 1,-0.1 4,-0.5 -0.355 25.4-122.0 -68.5 154.2 -5.9 -14.5 15.7
91 91 F G >4 S+ 0 0 145 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.825 111.1 63.5 -65.7 -33.1 -5.7 -11.4 13.4
92 92 E G 34 S+ 0 0 157 1,-0.3 -1,-0.3 14,-0.0 -2,-0.0 0.876 100.9 53.8 -59.6 -36.5 -8.2 -9.6 15.5
93 93 N G <4 S+ 0 0 38 -3,-0.6 14,-2.3 -7,-0.2 2,-0.3 0.664 78.6 112.1 -71.8 -22.8 -5.8 -9.8 18.5
94 94 K E << +B 106 0A 41 -3,-1.0 12,-0.3 -4,-0.5 3,-0.1 -0.393 36.9 178.4 -66.8 117.2 -2.8 -8.2 16.8
95 95 I E - 0 0A 51 10,-2.1 2,-0.3 -2,-0.3 -1,-0.2 0.856 64.5 -4.3 -78.9 -40.0 -2.0 -4.8 18.3
96 96 G E -B 105 0A 10 9,-1.2 9,-1.7 37,-0.1 2,-0.3 -0.978 51.7-165.6-154.5 165.5 1.1 -4.1 16.2
97 97 Q + 0 0 107 -2,-0.3 2,-0.3 7,-0.2 36,-0.3 -0.899 27.6 118.5-143.8 167.5 3.5 -5.3 13.6
98 98 G S > S- 0 0 24 -2,-0.3 3,-1.2 3,-0.1 34,-0.1 -0.985 71.1 -47.6 162.5-170.4 6.9 -4.1 12.3
99 99 G T 3 S+ 0 0 25 -2,-0.3 31,-0.4 1,-0.3 30,-0.3 0.704 106.5 87.0 -64.6 -26.3 10.6 -4.7 11.8
100 100 F T 3 S- 0 0 0 31,-1.5 30,-2.4 30,-0.2 22,-0.6 0.792 109.5 -32.0 -54.1 -31.6 10.9 -5.9 15.3
101 101 C S < S- 0 0 0 -3,-1.2 20,-0.1 20,-0.2 -3,-0.1 -0.762 88.6 -60.9-153.0-157.8 10.0 -9.3 14.3
102 102 T S S- 0 0 59 -2,-0.2 -3,-0.1 18,-0.1 -2,-0.1 -0.807 97.0-125.2 -94.6 74.2 8.0 -11.3 11.9
103 103 P + 0 0 23 0, 0.0 2,-0.3 0, 0.0 18,-0.2 0.101 56.9 159.0 -49.7 126.8 6.1 -9.1 14.0
104 104 D E + C 0 120A 41 16,-1.5 16,-3.5 -7,-0.1 2,-0.6 -0.810 1.8 166.1-143.1 97.8 3.4 -10.4 16.0
105 105 I E -BC 96 119A 3 -9,-1.7 -10,-2.1 -2,-0.3 -9,-1.2 -0.960 21.4-179.0-111.2 121.0 2.3 -8.4 19.0
106 106 N E -BC 94 118A 0 12,-2.9 12,-3.5 -2,-0.6 -12,-0.2 -0.874 28.8-122.3-122.5 152.0 -1.0 -9.8 20.1
107 107 S E + C 0 117A 24 -14,-2.3 2,-0.3 -2,-0.3 10,-0.2 -0.561 41.5 176.1 -80.4 154.3 -3.4 -8.9 22.9
108 108 G E - C 0 116A 4 8,-2.4 8,-2.7 -2,-0.2 2,-0.4 -0.987 29.3-145.4-156.8 164.2 -4.1 -11.8 25.2
109 109 A E - C 0 115A 38 -24,-0.9 6,-0.2 -2,-0.3 2,-0.0 -0.998 21.0-141.8-134.4 132.6 -5.9 -12.9 28.3
110 110 C > - 0 0 24 4,-2.4 3,-1.4 -2,-0.4 -28,-0.0 -0.205 35.6 -99.6 -82.6 178.9 -4.5 -15.5 30.6
111 111 K T 3 S+ 0 0 216 1,-0.3 -1,-0.1 2,-0.1 -30,-0.0 0.849 129.6 60.8 -63.9 -31.9 -6.6 -18.1 32.4
112 112 R T 3 S- 0 0 193 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.579 117.3-121.0 -66.8 -15.9 -6.4 -15.7 35.3
113 113 C < + 0 0 98 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.604 63.4 150.0 73.5 18.8 -8.2 -13.3 33.0
114 114 L - 0 0 77 1,-0.1 -4,-2.4 99,-0.0 2,-0.4 -0.624 48.4-122.6 -78.0 138.2 -5.2 -11.0 33.4
115 115 Q E +C 109 0A 92 -2,-0.3 99,-1.4 -6,-0.2 2,-0.3 -0.676 39.8 170.1 -87.2 136.5 -4.7 -8.9 30.3
116 116 A E -CD 108 213A 3 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.5 -0.919 33.1-132.6-143.7 165.7 -1.4 -9.2 28.6
117 117 S E -CD 107 212A 4 95,-2.3 95,-2.4 -2,-0.3 2,-0.5 -0.990 23.4-154.9-120.1 125.6 0.4 -8.2 25.4
118 118 V E -CD 106 211A 4 -12,-3.5 -12,-2.9 -2,-0.5 2,-0.6 -0.893 0.1-155.6-107.7 126.6 2.4 -11.0 23.8
119 119 T E -CD 105 210A 0 91,-3.2 91,-1.8 -2,-0.5 2,-0.6 -0.874 5.1-164.0-103.2 123.4 5.3 -10.2 21.6
120 120 Y E -CD 104 209A 12 -16,-3.5 -16,-1.5 -2,-0.6 89,-0.2 -0.927 17.8-140.7-105.8 120.2 6.1 -12.8 19.1
121 121 F - 0 0 0 87,-2.6 -20,-0.2 -2,-0.6 87,-0.2 -0.213 39.1 -63.2 -78.1 170.4 9.6 -12.3 17.7
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439 439 Q S S+ 0 0 56 1,-0.3 17,-1.2 -19,-0.3 2,-0.7 0.986 118.7 25.7 -63.4 -49.6 10.5 33.1 12.7
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448 448 T S S- 0 0 59 2,-0.2 0, 0.0 1,-0.1 0, 0.0 0.036 96.2 -97.0 -72.8 178.8 0.4 42.5 0.5
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475 475 T S S+ 0 0 32 -2,-0.3 -243,-0.2 10,-0.1 2,-0.2 -0.518 89.2 110.3 -64.2 114.5 -11.6 16.6 17.9
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479 479 Y S S+ 0 0 86 1,-0.2 -1,-0.1 2,-0.1 -16,-0.0 0.962 127.5 37.9 -62.6 -49.2 -5.3 24.4 14.2
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485 485 S S S+ 0 0 103 -2,-0.3 2,-0.3 2,-0.0 -10,-0.1 -0.792 72.3 113.7 -95.7 118.3 -17.9 16.8 17.5
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495 495 M S S- 0 0 88 -2,-2.1 2,-0.4 2,-0.0 -2,-0.2 -0.809 83.2-106.2 159.0 166.6 -6.4 25.3 29.3
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504 504 F + 0 0 154 -2,-0.3 -2,-0.0 1,-0.2 3,-0.0 -0.838 18.5 165.2-125.9 95.1 -30.0 38.8 29.6
505 505 H S S+ 0 0 190 -2,-0.5 2,-0.2 2,-0.0 -1,-0.2 0.946 76.9 25.9 -69.1 -44.5 -32.9 38.7 31.9
506 506 C S S- 0 0 88 -3,-0.1 2,-0.6 1,-0.0 -3,-0.0 -0.456 101.1 -87.6-110.0-179.2 -33.4 42.4 31.5
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510 510 D S S+ 0 0 167 1,-0.1 2,-0.2 -3,-0.1 -1,-0.2 -0.395 83.3 132.7 -60.3 134.5 -26.8 49.6 23.9
511 511 R - 0 0 213 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.752 45.8 -25.3-157.4-156.2 -23.2 48.7 24.6
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514 514 V - 0 0 125 -2,-0.3 2,-0.6 1,-0.1 -1,-0.0 -0.440 33.4-116.2 -80.5 150.5 -17.9 40.4 22.8
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516 516 C + 0 0 124 -2,-0.6 2,-0.2 2,-0.0 -1,-0.2 0.898 58.4 54.0 -69.3 -45.9 -14.7 36.7 19.2
517 517 L + 0 0 153 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.646 46.5 164.3-112.6 155.8 -11.2 35.3 18.9
518 518 V - 0 0 108 -2,-0.2 2,-0.2 0, 0.0 -2,-0.0 -0.919 32.2-112.9-147.7 165.5 -8.4 34.2 21.2
519 519 R - 0 0 175 -2,-0.3 -39,-0.0 1,-0.1 2,-0.0 -0.576 27.6-111.5-102.5 169.3 -5.2 32.1 20.7
520 520 T - 0 0 23 -2,-0.2 2,-1.4 1,-0.1 3,-0.2 -0.122 54.3 -72.6 -84.4-173.1 -4.3 28.8 22.2
521 521 T > + 0 0 32 1,-0.2 4,-1.1 2,-0.1 5,-0.1 -0.683 53.0 168.8 -94.0 100.7 -1.6 28.4 24.7
522 522 D H > S+ 0 0 62 -2,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.860 73.5 64.8 -68.7 -34.0 1.6 28.9 22.8
523 523 Q H > S+ 0 0 141 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.867 96.6 53.2 -62.1 -39.7 3.5 29.1 26.0
524 524 S H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.977 114.0 40.8 -61.9 -50.9 2.8 25.5 27.1
525 525 T H X S+ 0 0 12 -4,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.886 112.7 57.0 -62.5 -37.6 4.1 24.0 23.9
526 526 Y H X S+ 0 0 59 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.914 103.7 52.2 -60.4 -43.9 6.9 26.5 23.9
527 527 R H X S+ 0 0 102 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.907 110.6 48.0 -61.1 -42.5 8.1 25.4 27.3
528 528 I H X S+ 0 0 19 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.885 109.9 52.6 -64.9 -39.2 8.1 21.8 26.1
529 529 L H < S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.922 106.7 53.7 -62.5 -39.8 10.0 22.8 23.0
530 530 E H X S+ 0 0 19 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.933 106.5 51.0 -62.2 -42.0 12.5 24.6 25.2
531 531 L H X S+ 0 0 11 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.937 107.3 56.1 -59.4 -42.7 13.1 21.4 27.2
532 532 G H X S+ 0 0 4 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.962 110.1 42.3 -58.8 -57.3 13.6 19.6 24.0
533 533 P H 4 S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.828 111.2 53.2 -57.9 -33.3 16.4 21.8 22.8
534 534 A H >< S+ 0 0 8 -4,-2.5 3,-1.1 1,-0.2 10,-0.2 0.916 111.2 51.9 -62.8 -37.1 18.1 22.1 26.1
535 535 T H 3< S+ 0 0 4 -4,-2.4 -176,-0.2 -5,-0.3 -1,-0.2 0.731 110.5 45.6 -68.1 -30.2 18.0 18.3 25.9
536 536 N T 3< S+ 0 0 5 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.098 76.2 141.8-109.6 33.0 19.5 18.1 22.5
537 537 D < - 0 0 45 -3,-1.1 6,-0.1 2,-0.1 -181,-0.1 -0.335 59.2-123.1 -68.4 150.7 22.4 20.5 22.8
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