==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 30-MAR-11 3RBV . COMPND 2 MOLECULE: SUGAR 3-KETOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA KIJANIATA; . AUTHOR H.M.HOLDEN,R.L.KUBIAK . 313 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 3 0 1 0 0 2 2 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 1 1 1 1 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 1 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 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 1 8 A N 0 0 192 0, 0.0 3,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 124.0 -12.5 -37.6 -45.8 2 9 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 26,-0.3 -0.172 360.0 -99.2 -64.4 155.4 -10.1 -37.6 -42.9 3 10 A I E -a 28 0A 7 24,-2.9 26,-3.7 1,-0.1 2,-0.7 -0.601 36.4-128.4 -73.3 134.3 -8.8 -34.3 -41.6 4 11 A R E -a 29 0A 95 -2,-0.3 62,-2.4 24,-0.2 63,-2.0 -0.778 28.5-160.3 -89.1 111.7 -5.3 -33.7 -43.1 5 12 A V E -ab 30 67A 3 24,-3.8 26,-2.1 -2,-0.7 27,-1.2 -0.806 11.6-168.5 -99.7 134.7 -3.0 -32.9 -40.2 6 13 A G E -ab 32 68A 0 61,-2.6 63,-2.7 -2,-0.5 2,-0.5 -0.932 13.0-145.4-113.2 151.3 0.4 -31.1 -40.5 7 14 A V E -ab 33 69A 0 25,-2.4 27,-3.0 -2,-0.4 2,-0.7 -0.932 3.1-157.4-115.1 125.5 2.8 -31.0 -37.6 8 15 A I E S+a 34 0A 0 61,-2.5 27,-0.2 -2,-0.5 64,-0.1 -0.908 70.4 19.2-103.7 109.5 5.0 -28.0 -36.9 9 16 A G S S- 0 0 4 25,-2.2 2,-2.0 -2,-0.7 26,-0.2 0.460 75.5-118.2 101.7 124.4 8.1 -29.0 -34.8 10 17 A C + 0 0 11 23,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.577 53.3 178.9 -91.8 71.8 9.4 -32.6 -34.3 11 18 A A > - 0 0 19 -2,-2.0 4,-2.1 1,-0.1 5,-0.2 -0.404 42.7-121.3 -79.8 156.3 8.8 -32.5 -30.6 12 19 A D H > S+ 0 0 98 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.968 117.6 49.2 -51.6 -58.1 9.4 -35.2 -28.0 13 20 A I H >>S+ 0 0 33 1,-0.3 4,-1.9 2,-0.2 5,-1.9 0.831 110.0 53.1 -59.1 -24.5 5.7 -35.1 -27.1 14 21 A A H 4>S+ 0 0 0 3,-0.2 5,-3.1 57,-0.2 -1,-0.3 0.939 112.0 43.2 -74.4 -40.6 4.8 -35.4 -30.8 15 22 A W H <5S+ 0 0 62 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.930 122.7 37.3 -71.0 -43.6 7.0 -38.5 -31.3 16 23 A R H <5S+ 0 0 120 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.886 135.8 1.2 -77.4 -41.1 5.9 -40.2 -28.1 17 24 A R T X5S+ 0 0 64 -4,-1.9 4,-1.4 -5,-0.3 -3,-0.2 0.820 123.5 43.7-117.9 -61.7 2.2 -39.3 -27.8 18 25 A A H > S+ 0 0 50 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.932 113.1 47.9 -60.4 -34.9 1.2 -42.3 -32.8 21 28 A A H X S+ 0 0 6 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.919 113.1 46.2 -63.1 -44.8 -2.4 -41.2 -32.1 22 29 A L H < S+ 0 0 2 -4,-2.4 6,-0.3 2,-0.2 -1,-0.2 0.918 111.5 52.7 -65.4 -45.3 -2.8 -39.3 -35.3 23 30 A E H < S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.8 39.5 -58.1 -47.8 -1.3 -42.1 -37.3 24 31 A A H < S+ 0 0 71 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.705 92.7 98.0 -71.5 -26.5 -3.8 -44.6 -35.8 25 32 A E >< - 0 0 8 -4,-1.7 3,-1.9 1,-0.2 -4,-0.0 -0.590 63.1-150.7 -81.9 122.2 -6.9 -42.4 -35.8 26 33 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.837 94.9 58.7 -55.3 -36.9 -9.1 -43.1 -38.9 27 34 A L T 3 S+ 0 0 52 -25,-0.1 -24,-2.9 -26,-0.0 2,-0.4 0.527 102.5 58.3 -76.4 -4.6 -10.4 -39.5 -38.8 28 35 A T E < -a 3 0A 1 -3,-1.9 2,-0.5 -6,-0.3 -24,-0.2 -0.975 60.3-163.9-132.9 137.9 -6.9 -37.9 -39.2 29 36 A E E -a 4 0A 103 -26,-3.7 -24,-3.8 -2,-0.4 2,-0.9 -0.980 20.4-135.5-121.5 124.6 -4.3 -38.2 -41.9 30 37 A V E +a 5 0A 15 -2,-0.5 -24,-0.2 18,-0.2 3,-0.1 -0.720 36.1 162.8 -76.2 107.2 -0.7 -37.1 -41.3 31 38 A T E + 0 0 17 -26,-2.1 20,-2.2 -2,-0.9 2,-0.3 0.711 58.1 9.5-100.6 -24.3 0.1 -35.2 -44.5 32 39 A A E -ac 6 51A 0 -27,-1.2 -25,-2.4 18,-0.3 2,-0.4 -0.982 50.4-165.4-157.8 139.7 3.2 -33.1 -43.6 33 40 A I E -ac 7 52A 0 18,-2.1 20,-2.7 -2,-0.3 2,-0.3 -0.994 17.2-160.3-129.5 128.4 5.7 -32.7 -40.8 34 41 A A E +ac 8 53A 0 -27,-3.0 -25,-2.2 -2,-0.4 2,-0.3 -0.820 12.7 171.3-112.7 146.3 7.9 -29.7 -40.6 35 42 A S E - c 0 54A 7 18,-2.0 20,-3.3 -2,-0.3 3,-0.0 -0.970 47.6-115.2-141.3 159.8 11.2 -29.1 -38.8 36 43 A R S S+ 0 0 207 -2,-0.3 2,-0.5 18,-0.2 3,-0.1 0.765 114.7 46.2 -59.7 -23.9 14.0 -26.5 -38.6 37 44 A R S >> S- 0 0 157 1,-0.1 4,-1.9 16,-0.1 3,-1.1 -0.984 76.1-149.6-125.9 123.5 16.1 -29.4 -40.1 38 45 A W H 3> S+ 0 0 109 -2,-0.5 4,-2.8 1,-0.3 5,-0.2 0.871 98.4 63.2 -55.1 -37.2 14.7 -31.3 -43.0 39 46 A D H 3> S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.831 104.0 46.5 -59.2 -36.1 16.7 -34.3 -41.7 40 47 A R H <> S+ 0 0 94 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.937 111.1 50.9 -73.3 -44.4 14.6 -34.4 -38.5 41 48 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.926 110.5 51.4 -52.8 -46.6 11.3 -34.0 -40.4 42 49 A K H X S+ 0 0 77 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.876 107.0 51.4 -64.6 -41.4 12.4 -36.9 -42.6 43 50 A R H X S+ 0 0 121 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.937 113.4 46.8 -58.0 -40.8 13.2 -39.1 -39.6 44 51 A F H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.898 112.0 49.0 -75.5 -34.5 9.7 -38.3 -38.3 45 52 A T H X S+ 0 0 8 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.747 104.7 58.6 -74.3 -20.7 8.0 -39.0 -41.6 46 53 A E H < S+ 0 0 138 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.883 114.6 39.3 -73.9 -30.9 9.8 -42.3 -42.0 47 54 A R H < S+ 0 0 150 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.907 133.0 19.3 -78.2 -46.5 8.1 -43.2 -38.7 48 55 A F H < S- 0 0 21 -4,-2.7 -18,-0.2 1,-0.3 -3,-0.2 0.498 101.2-116.6-113.2 -3.8 4.6 -41.7 -39.1 49 56 A G < + 0 0 35 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.331 62.5 101.5 89.2 179.8 4.1 -41.1 -42.9 50 57 A G S S- 0 0 34 -2,-0.1 -18,-0.3 -19,-0.1 -19,-0.2 -0.094 76.9 -63.0 92.0 162.2 3.6 -37.7 -44.5 51 58 A E E -c 32 0A 108 -20,-2.2 -18,-2.1 -2,-0.0 2,-0.2 -0.812 47.6-126.4 -85.6 127.6 5.9 -35.3 -46.4 52 59 A P E -c 33 0A 28 0, 0.0 2,-0.4 0, 0.0 -18,-0.2 -0.474 30.7-162.2 -69.0 136.7 8.9 -34.0 -44.6 53 60 A V E -c 34 0A 12 -20,-2.7 -18,-2.0 -2,-0.2 2,-0.6 -0.980 16.3-131.8-131.7 136.7 8.9 -30.2 -44.8 54 61 A E E S-c 35 0A 137 -2,-0.4 4,-0.4 -20,-0.2 -18,-0.2 -0.742 76.1 -7.4 -88.0 120.7 11.7 -27.7 -44.2 55 62 A G S > S- 0 0 22 -20,-3.3 4,-0.6 -2,-0.6 -20,-0.1 0.211 80.3 -96.6 73.0 158.0 10.7 -24.9 -41.9 56 63 A Y H >> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.876 111.1 63.4 -84.1 -38.5 7.2 -24.1 -40.7 57 64 A P H 3> S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.899 99.7 54.8 -58.7 -35.2 6.0 -21.5 -43.1 58 65 A A H 34 S+ 0 0 44 -4,-0.4 4,-0.4 1,-0.2 -2,-0.2 0.868 107.2 51.5 -67.3 -31.5 6.1 -23.9 -46.0 59 66 A L H X< S+ 0 0 0 -4,-0.6 3,-1.8 -3,-0.6 -1,-0.2 0.947 106.3 53.0 -69.6 -41.5 3.9 -26.3 -44.2 60 67 A L H 3< S+ 0 0 10 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 104.0 59.8 -58.0 -26.8 1.3 -23.6 -43.4 61 68 A E T 3< S+ 0 0 147 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.551 82.0 110.4 -79.0 -7.2 1.2 -22.8 -47.2 62 69 A R X - 0 0 55 -3,-1.8 3,-0.8 -4,-0.4 -30,-0.0 -0.429 57.4-153.3 -76.4 141.6 0.1 -26.3 -48.2 63 70 A D T 3 S+ 0 0 145 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.651 92.3 64.2 -83.9 -15.8 -3.4 -27.0 -49.5 64 71 A D T 3 S+ 0 0 51 -33,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.122 84.7 89.0 -93.4 29.6 -3.4 -30.5 -48.3 65 72 A V < + 0 0 1 -3,-0.8 -60,-0.2 1,-0.1 3,-0.1 -0.989 42.0 169.1-121.5 120.2 -3.3 -29.5 -44.6 66 73 A D S S+ 0 0 44 -62,-2.4 24,-1.8 -2,-0.5 2,-0.3 0.693 70.7 17.0 -90.5 -30.1 -6.6 -28.9 -42.9 67 74 A A E -bd 5 90A 0 -63,-2.0 -61,-2.6 22,-0.2 2,-0.4 -0.984 68.3-142.1-146.5 149.9 -5.4 -28.6 -39.3 68 75 A V E -bd 6 91A 1 22,-3.0 24,-2.4 -2,-0.3 2,-0.5 -0.974 5.3-147.5-121.6 130.7 -2.0 -28.1 -37.7 69 76 A Y E -bd 7 92A 1 -63,-2.7 -61,-2.5 -2,-0.4 24,-0.2 -0.830 15.1-161.2 -89.9 128.2 -0.6 -29.7 -34.5 70 77 A V E + d 0 93A 0 22,-2.9 24,-2.1 -2,-0.5 -61,-0.1 -0.750 26.1 158.6-119.2 85.6 1.7 -27.3 -32.6 71 78 A P + 0 0 10 0, 0.0 -57,-0.2 0, 0.0 -58,-0.2 -0.092 34.4 133.4 -93.8 34.8 4.0 -29.0 -30.1 72 79 A L S S- 0 0 11 1,-0.2 5,-0.1 -64,-0.1 22,-0.1 -0.270 70.1 -70.9 -76.4 172.8 6.5 -26.2 -30.0 73 80 A P > - 0 0 77 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.357 52.0-108.5 -62.5 150.0 8.0 -24.7 -26.8 74 81 A A G > S+ 0 0 2 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.803 116.6 55.2 -48.5 -44.6 5.5 -22.7 -24.9 75 82 A V G 3 S+ 0 0 95 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.731 108.6 49.7 -69.6 -18.8 7.0 -19.3 -25.6 76 83 A L G <> S+ 0 0 74 -3,-2.0 4,-1.3 1,-0.2 -1,-0.3 0.426 87.4 89.1 -98.2 -1.8 6.8 -20.0 -29.4 77 84 A H H <> S+ 0 0 1 -3,-1.6 4,-3.0 -4,-0.4 5,-0.4 0.920 81.0 53.2 -59.3 -47.1 3.1 -21.0 -29.4 78 85 A A H > S+ 0 0 13 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.931 107.6 48.8 -65.8 -44.2 1.5 -17.7 -29.9 79 86 A E H > S+ 0 0 93 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.933 118.7 40.0 -55.5 -46.8 3.4 -16.7 -33.0 80 87 A W H X S+ 0 0 25 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.811 114.2 49.2 -82.1 -31.9 2.8 -20.0 -34.7 81 88 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.919 112.0 52.9 -65.7 -47.0 -0.8 -20.6 -33.7 82 89 A D H X S+ 0 0 44 -4,-2.5 4,-2.2 -5,-0.4 -2,-0.2 0.953 113.1 42.1 -50.4 -46.5 -1.5 -17.1 -34.9 83 90 A R H X S+ 0 0 102 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.885 112.3 53.6 -74.5 -35.7 0.0 -17.7 -38.2 84 91 A A H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 -1,-0.2 0.920 111.2 45.9 -62.9 -42.7 -1.5 -21.2 -38.6 85 92 A L H ><5S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.898 110.5 53.4 -65.2 -40.8 -5.0 -19.8 -38.0 86 93 A R H 3<5S+ 0 0 138 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.842 103.0 57.6 -66.3 -28.5 -4.4 -16.9 -40.4 87 94 A A T 3<5S- 0 0 46 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.371 126.3-107.1 -76.2 2.8 -3.4 -19.5 -43.0 88 95 A G T < 5S+ 0 0 43 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.740 74.6 135.7 79.3 26.6 -6.9 -20.9 -42.4 89 96 A K < - 0 0 22 -5,-2.2 -22,-0.2 -6,-0.1 -1,-0.2 -0.882 56.0-122.1-107.1 140.1 -6.0 -24.0 -40.5 90 97 A H E -d 67 0A 34 -24,-1.8 -22,-3.0 -2,-0.4 2,-0.4 -0.344 35.5-138.6 -64.2 160.4 -7.6 -25.4 -37.3 91 98 A V E -de 68 118A 0 26,-2.8 28,-2.6 -24,-0.2 2,-0.6 -0.981 24.7-169.7-140.0 122.2 -5.0 -25.7 -34.5 92 99 A L E -de 69 119A 2 -24,-2.4 -22,-2.9 -2,-0.4 2,-0.4 -0.970 27.8-171.5-102.7 109.9 -4.3 -28.4 -31.9 93 100 A A E -de 70 120A 0 26,-3.0 28,-3.0 -2,-0.6 4,-0.1 -0.902 20.5-118.9-109.9 137.8 -1.8 -26.6 -29.6 94 101 A E E - e 0 121A 7 -24,-2.1 28,-0.1 -2,-0.4 -22,-0.1 -0.260 53.9 -57.1 -62.8 154.1 0.1 -28.3 -26.8 95 102 A K S S+ 0 0 17 26,-0.5 -1,-0.1 1,-0.1 -21,-0.1 -0.382 118.6 48.1 -65.9 150.8 -0.3 -27.1 -23.3 96 103 A P S S- 0 0 8 0, 0.0 -19,-0.1 0, 0.0 -2,-0.1 0.714 78.5-149.6 -78.1 143.4 0.1 -24.4 -22.1 97 104 A L S S- 0 0 4 -2,-0.1 2,-0.2 -4,-0.1 -3,-0.1 0.927 73.8 -31.2 -46.2 -53.6 -1.9 -22.9 -24.9 98 105 A T S S- 0 0 10 -21,-0.1 -23,-0.1 -5,-0.1 3,-0.1 -0.736 71.8 -86.9-147.4-152.9 0.2 -19.8 -24.6 99 106 A T S S+ 0 0 35 -2,-0.2 2,-0.3 1,-0.2 -24,-0.1 0.541 96.5 8.7-105.2 -11.0 2.1 -17.8 -21.9 100 107 A D S > S- 0 0 42 1,-0.1 4,-2.1 202,-0.0 -1,-0.2 -0.988 73.2-102.8-160.7 164.9 -0.7 -15.5 -20.5 101 108 A R H > S+ 0 0 66 197,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.939 114.0 51.0 -61.2 -52.3 -4.4 -14.7 -20.5 102 109 A P H > S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.918 112.3 48.8 -52.7 -44.7 -4.4 -11.6 -22.8 103 110 A Q H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 109.6 52.2 -61.6 -40.6 -2.4 -13.6 -25.4 104 111 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.909 108.1 51.2 -64.7 -41.0 -4.8 -16.5 -25.1 105 112 A E H X S+ 0 0 88 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.929 108.0 51.9 -62.2 -41.0 -7.8 -14.3 -25.7 106 113 A R H X S+ 0 0 130 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.954 109.0 51.5 -60.7 -45.5 -6.2 -12.7 -28.8 107 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.942 110.5 46.4 -51.1 -55.4 -5.6 -16.2 -30.2 108 115 A F H X S+ 0 0 22 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.870 110.3 55.7 -57.6 -34.8 -9.2 -17.3 -29.6 109 116 A A H X S+ 0 0 24 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.931 107.4 48.3 -62.4 -47.0 -10.3 -14.0 -31.2 110 117 A V H X S+ 0 0 10 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.900 115.7 44.2 -58.7 -42.2 -8.3 -14.8 -34.4 111 118 A A H ><>S+ 0 0 3 -4,-2.2 5,-1.9 -5,-0.2 3,-1.7 0.950 111.5 53.9 -70.4 -44.1 -9.7 -18.3 -34.5 112 119 A R H ><5S+ 0 0 175 -4,-3.4 3,-2.0 1,-0.3 -2,-0.2 0.937 102.0 57.4 -55.4 -48.4 -13.3 -17.0 -33.8 113 120 A E H 3<5S+ 0 0 135 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.684 114.9 39.1 -54.8 -22.8 -13.2 -14.5 -36.7 114 121 A R T <<5S- 0 0 91 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.293 109.9-114.6-115.2 8.0 -12.5 -17.3 -39.1 115 122 A G T < 5 + 0 0 51 -3,-2.0 2,-0.3 -4,-0.5 -3,-0.2 0.686 67.6 145.2 69.1 16.0 -14.7 -20.1 -37.7 116 123 A L < - 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