==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-FEB-04 1SC9 . COMPND 2 MOLECULE: (S)-ACETONE-CYANOHYDRIN LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEVEA BRASILIENSIS; . AUTHOR K.GRUBER,G.GARTLER,B.KRAMMER,H.SCHWAB,C.KRATKY . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.3 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 0.4 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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 1 1 1 1 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A A 0 0 81 0, 0.0 2,-0.3 0, 0.0 252,-0.1 0.000 360.0 360.0 360.0 162.7 26.7 25.5 5.0 2 3 A F - 0 0 154 250,-0.1 2,-0.3 27,-0.1 28,-0.1 -0.818 360.0-177.2-108.4 150.1 24.0 27.7 3.4 3 4 A A - 0 0 21 -2,-0.3 28,-2.2 28,-0.1 2,-0.7 -0.871 31.8-113.7-138.0 170.0 20.8 28.9 5.0 4 5 A H E -a 31 0A 30 68,-0.4 70,-2.3 -2,-0.3 2,-0.4 -0.940 35.8-160.5-109.7 106.7 17.8 30.9 4.0 5 6 A F E -ab 32 74A 0 26,-2.7 28,-2.9 -2,-0.7 2,-0.6 -0.742 8.6-159.7 -91.5 134.2 17.9 34.1 6.1 6 7 A V E -ab 33 75A 0 68,-2.5 70,-2.6 -2,-0.4 2,-0.5 -0.954 13.9-153.1-114.9 109.1 14.7 36.2 6.6 7 8 A L E -ab 34 76A 0 26,-2.9 28,-1.4 -2,-0.6 2,-0.5 -0.728 7.5-163.5 -88.8 128.2 15.7 39.7 7.5 8 9 A I E - b 0 77A 0 68,-3.4 70,-2.2 -2,-0.5 73,-0.2 -0.938 6.7-150.0-119.3 112.5 13.1 41.7 9.6 9 10 A H - 0 0 0 -2,-0.5 2,-0.1 26,-0.5 6,-0.1 -0.153 20.1-109.6 -72.2 169.7 13.4 45.4 9.9 10 11 A T > - 0 0 5 1,-0.2 3,-1.7 4,-0.2 27,-0.1 -0.364 50.5 -61.5 -94.8 175.8 12.3 47.5 12.8 11 12 A I T 3 S+ 0 0 8 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.226 122.3 18.8 -59.6 147.1 9.3 49.9 13.2 12 13 A C T 3 S+ 0 0 3 1,-0.3 161,-1.4 162,-0.2 -1,-0.3 0.431 115.8 87.3 72.3 0.3 9.3 53.0 10.9 13 14 A H < - 0 0 2 -3,-1.7 28,-0.5 159,-0.2 -1,-0.3 -0.423 58.8-157.5-115.1-169.6 11.8 51.1 8.6 14 15 A G > - 0 0 0 26,-0.2 3,-2.0 -2,-0.1 4,-0.3 -0.895 47.1 -68.3-156.5-176.5 11.6 48.7 5.7 15 16 A A G > S+ 0 0 19 1,-0.3 3,-2.4 -2,-0.3 21,-0.1 0.793 115.0 79.9 -52.5 -30.5 13.6 46.0 3.9 16 17 A W G > S+ 0 0 39 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.723 75.3 71.1 -52.0 -26.7 15.9 48.8 2.6 17 18 A I G < S+ 0 0 0 -3,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.784 96.9 53.8 -64.0 -22.8 17.8 48.9 5.9 18 19 A W G <> S+ 0 0 1 -3,-2.4 4,-2.6 -4,-0.3 -1,-0.3 0.253 72.1 115.3 -93.6 13.5 19.3 45.5 4.8 19 20 A H T <4 S+ 0 0 80 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.689 82.3 39.1 -60.0 -18.3 20.5 46.8 1.5 20 21 A K T > S+ 0 0 82 -3,-0.4 4,-1.0 217,-0.2 -1,-0.2 0.828 117.6 46.1 -96.5 -40.3 24.1 46.3 2.4 21 22 A L H > S+ 0 0 0 -4,-0.2 4,-2.6 216,-0.2 5,-0.3 0.879 102.5 63.6 -71.5 -39.1 23.8 43.0 4.3 22 23 A K H X S+ 0 0 64 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.940 105.9 42.0 -55.2 -53.5 21.6 41.1 1.8 23 24 A P H > S+ 0 0 65 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.870 113.1 55.0 -65.0 -30.2 24.1 41.1 -1.1 24 25 A L H < S+ 0 0 62 -4,-1.0 4,-0.4 2,-0.2 -2,-0.2 0.921 108.6 47.2 -66.5 -42.6 26.9 40.2 1.3 25 26 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-1.2 0.891 111.2 51.9 -64.6 -38.4 25.1 37.2 2.6 26 27 A E H ><5S+ 0 0 83 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.829 101.3 61.2 -66.8 -29.9 24.2 36.1 -1.0 27 28 A A T 3<5S+ 0 0 81 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.633 101.4 54.3 -70.1 -13.7 27.9 36.4 -1.8 28 29 A L T < 5S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.455 129.1-100.5 -95.7 -5.2 28.5 33.7 0.8 29 30 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.476 76.6 137.7 101.0 4.8 26.0 31.5 -1.0 30 31 A H < - 0 0 9 -5,-1.9 2,-0.5 -28,-0.1 -1,-0.3 -0.393 54.5-123.1 -84.0 159.9 22.9 32.1 1.2 31 32 A K E -a 4 0A 128 -28,-2.2 -26,-2.7 -2,-0.1 2,-0.4 -0.867 34.3-165.2 -98.1 132.8 19.3 32.7 0.1 32 33 A V E -a 5 0A 4 -2,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.984 17.3-173.6-130.2 131.6 18.0 35.9 1.6 33 34 A T E -a 6 0A 20 -28,-2.9 -26,-2.9 -2,-0.4 2,-0.6 -0.988 4.0-172.1-120.6 123.4 14.5 37.3 2.0 34 35 A A E -a 7 0A 30 -2,-0.5 -26,-0.1 -28,-0.2 2,-0.1 -0.944 17.5-160.5-118.1 107.1 14.1 40.9 3.2 35 36 A L - 0 0 26 -28,-1.4 2,-0.6 -2,-0.6 -26,-0.5 -0.441 19.7-137.3 -89.7 158.3 10.5 41.7 3.9 36 37 A D - 0 0 39 -22,-0.2 3,-0.1 -2,-0.1 -22,-0.1 -0.976 29.5-144.8-107.9 121.3 8.5 44.9 4.2 37 38 A L > - 0 0 0 -2,-0.6 3,-1.8 1,-0.2 6,-0.2 -0.201 45.7 -52.5 -77.3 178.8 6.2 44.5 7.2 38 39 A A T 3 S- 0 0 0 18,-2.1 -1,-0.2 1,-0.3 3,-0.1 -0.251 126.1 -1.3 -56.7 137.8 2.7 46.1 7.1 39 40 A A T 3 S+ 0 0 2 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.739 111.5 116.9 52.7 29.3 2.7 49.8 6.3 40 41 A S S X S- 0 0 4 -3,-1.8 3,-2.5 16,-0.1 -26,-0.2 -0.910 72.5 -16.4-126.4 152.2 6.5 49.7 6.1 41 42 A G T 3 S- 0 0 14 -28,-0.5 -27,-0.1 -2,-0.3 -5,-0.0 -0.368 132.1 -20.6 57.6-127.0 8.9 50.4 3.2 42 43 A V T 3 S+ 0 0 130 -2,-0.1 -1,-0.3 2,-0.0 -28,-0.0 0.151 97.0 135.4-100.1 19.3 6.9 50.2 0.0 43 44 A D < - 0 0 24 -3,-2.5 -6,-0.1 -6,-0.2 -5,-0.0 -0.448 59.0-130.6 -64.0 140.2 4.0 48.2 1.5 44 45 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.659 76.4 92.8 -69.2 -19.2 0.7 49.8 0.3 45 46 A R - 0 0 58 -5,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.376 68.0-135.7 -78.1 155.1 -0.9 50.0 3.7 46 47 A Q > - 0 0 85 -2,-0.1 3,-2.1 1,-0.1 4,-0.3 -0.792 26.4-112.6-105.4 153.7 -0.8 53.1 6.0 47 48 A I G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.817 112.2 68.8 -57.0 -32.1 -0.2 52.6 9.8 48 49 A E G 3 S+ 0 0 63 1,-0.3 -1,-0.3 3,-0.0 94,-0.0 0.665 94.1 59.5 -62.1 -14.8 -3.7 53.8 10.7 49 50 A E G < S+ 0 0 98 -3,-2.1 2,-0.5 88,-0.1 -1,-0.3 0.560 91.9 83.1 -87.8 -10.5 -4.9 50.5 9.1 50 51 A I < + 0 0 6 -3,-2.2 3,-0.1 -4,-0.3 87,-0.0 -0.840 50.3 179.0-101.6 127.4 -2.9 48.4 11.5 51 52 A G + 0 0 7 -2,-0.5 2,-0.3 1,-0.1 86,-0.1 0.452 61.6 13.2-106.8 -0.1 -4.2 47.7 15.0 52 53 A S S > S- 0 0 18 1,-0.1 4,-2.3 129,-0.0 5,-0.1 -0.987 73.9-103.2-165.0 165.9 -1.6 45.5 16.7 53 54 A F H > S+ 0 0 1 -2,-0.3 4,-1.2 125,-0.3 -1,-0.1 0.790 121.3 57.4 -66.3 -26.1 2.0 44.2 16.5 54 55 A D H 4 S+ 0 0 52 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.908 107.6 44.0 -70.6 -42.7 0.5 41.0 15.2 55 56 A E H >4 S+ 0 0 71 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.892 110.5 57.2 -66.8 -38.7 -1.3 42.6 12.3 56 57 A Y H 3< S+ 0 0 5 -4,-2.3 -18,-2.1 1,-0.3 -1,-0.2 0.835 103.0 55.7 -59.2 -32.8 1.9 44.5 11.7 57 58 A S T >X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 3,-1.1 0.434 74.1 112.0 -81.8 0.2 3.7 41.2 11.4 58 59 A E H <> S+ 0 0 63 -3,-1.8 4,-3.2 1,-0.3 5,-0.3 0.853 71.7 53.5 -43.9 -51.8 1.4 39.9 8.6 59 60 A P H 3> S+ 0 0 18 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.864 111.3 47.4 -55.5 -35.8 3.9 39.8 5.8 60 61 A L H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.931 114.0 46.0 -70.1 -45.9 6.3 37.7 7.9 61 62 A L H X S+ 0 0 37 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.900 113.3 50.1 -62.9 -41.2 3.5 35.3 8.9 62 63 A T H X S+ 0 0 76 -4,-3.2 4,-1.5 -5,-0.3 -1,-0.2 0.889 110.4 50.7 -65.1 -38.7 2.3 35.0 5.3 63 64 A F H < S+ 0 0 43 -4,-1.8 4,-0.4 -5,-0.3 -2,-0.2 0.922 110.7 47.4 -64.6 -45.9 5.8 34.4 4.1 64 65 A L H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.877 107.9 56.8 -63.6 -37.2 6.4 31.6 6.7 65 66 A E H 3< S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.869 102.8 56.5 -61.3 -36.1 3.0 30.1 5.7 66 67 A A T 3< S+ 0 0 77 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.567 80.9 107.5 -73.8 -10.9 4.2 29.9 2.1 67 68 A L S < S- 0 0 11 -3,-1.2 3,-0.1 -4,-0.4 -3,-0.0 -0.553 75.3-120.6 -71.7 128.6 7.3 27.8 3.0 68 69 A P > - 0 0 63 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.273 44.9 -76.6 -65.0 154.5 6.9 24.2 1.8 69 70 A P T 3 S+ 0 0 131 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.209 119.5 24.5 -52.2 138.8 7.0 21.4 4.5 70 71 A G T 3 S+ 0 0 82 1,-0.2 2,-0.5 -3,-0.1 -3,-0.0 0.136 90.1 119.6 93.4 -21.7 10.6 20.7 5.7 71 72 A E < - 0 0 92 -3,-2.0 2,-0.3 25,-0.0 -1,-0.2 -0.693 41.8-173.1 -84.2 123.2 12.0 24.1 4.7 72 73 A K - 0 0 87 -2,-0.5 -68,-0.4 -3,-0.1 2,-0.3 -0.838 4.0-163.2-115.4 153.1 13.4 26.0 7.7 73 74 A V E - c 0 96A 2 22,-2.5 24,-2.4 -2,-0.3 25,-0.9 -0.857 20.9-124.9-130.3 164.7 14.7 29.6 7.9 74 75 A I E -bc 5 98A 2 -70,-2.3 -68,-2.5 -2,-0.3 2,-0.3 -0.963 28.3-145.9-112.0 115.9 16.9 31.7 10.2 75 76 A L E -bc 6 99A 0 23,-2.0 25,-3.6 -2,-0.6 2,-0.5 -0.646 12.2-168.1 -83.4 138.9 15.1 34.8 11.3 76 77 A V E -bc 7 100A 1 -70,-2.6 -68,-3.4 -2,-0.3 2,-0.4 -0.962 8.6-176.3-129.0 110.9 17.1 38.0 11.8 77 78 A G E -bc 8 101A 0 23,-2.5 25,-2.9 -2,-0.5 2,-0.4 -0.928 10.2-153.0-114.8 133.3 15.4 40.8 13.6 78 79 A E E > - c 0 102A 0 -70,-2.2 3,-3.0 -2,-0.4 2,-0.3 -0.805 58.7 -35.6-104.4 143.6 16.8 44.3 14.3 79 80 A S T > S+ 0 0 8 23,-2.0 26,-3.2 -2,-0.4 3,-0.7 -0.276 140.2 7.8 53.9-106.0 15.7 46.6 17.1 80 81 A C T >> S+ 0 0 4 -2,-0.3 3,-1.8 1,-0.2 4,-0.5 0.532 108.6 94.7 -82.9 -3.8 12.0 46.1 17.6 81 82 A G H X> + 0 0 0 -3,-3.0 4,-1.8 1,-0.3 3,-0.5 0.696 64.3 77.5 -59.7 -21.4 12.1 43.2 15.2 82 83 A G H <> S+ 0 0 0 -3,-0.7 4,-2.0 1,-0.2 -1,-0.3 0.796 89.5 57.2 -60.0 -27.9 12.4 40.8 18.0 83 84 A L H <> S+ 0 0 0 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.861 104.2 50.5 -71.4 -35.4 8.7 41.2 18.7 84 85 A N H < S+ 0 0 2 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.935 114.1 45.3 -60.2 -47.2 4.9 36.5 17.2 88 89 A A H >X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-1.5 0.867 107.8 58.4 -65.4 -36.8 6.0 34.4 14.2 89 90 A A H 3X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.3 -1,-0.2 0.753 98.1 59.6 -66.5 -25.8 7.5 31.7 16.5 90 91 A D H << S+ 0 0 36 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.448 117.4 32.4 -82.2 0.7 4.2 31.0 18.2 91 92 A K H <4 S+ 0 0 151 -3,-1.5 -2,-0.2 -4,-0.1 -1,-0.2 0.616 134.6 20.8-122.3 -32.0 2.7 30.1 14.8 92 93 A Y H >< + 0 0 33 -4,-2.6 3,-1.9 1,-0.1 4,-0.3 -0.140 66.1 140.6-135.6 42.4 5.6 28.5 12.9 93 94 A C G >< S+ 0 0 41 -4,-0.8 3,-1.4 1,-0.3 -1,-0.1 0.833 73.5 61.5 -55.6 -33.0 8.2 27.4 15.4 94 95 A E G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.1 -24,-0.1 0.691 102.1 52.2 -68.5 -16.8 8.8 24.2 13.3 95 96 A K G < S+ 0 0 23 -3,-1.9 -22,-2.5 -23,-0.1 2,-0.6 0.381 92.7 87.7 -98.5 2.6 9.9 26.3 10.3 96 97 A I E < -c 73 0A 8 -3,-1.4 101,-0.2 -4,-0.3 -22,-0.2 -0.896 48.3-177.2-109.5 110.4 12.5 28.3 12.3 97 98 A A E S- 0 0 11 -24,-2.4 100,-0.4 -2,-0.6 2,-0.3 0.868 75.1 -32.2 -69.2 -35.8 16.0 26.9 12.6 98 99 A A E -c 74 0A 0 -25,-0.9 -23,-2.0 98,-0.1 2,-0.4 -0.958 55.3-123.9-174.7 162.4 17.0 29.8 14.8 99 100 A A E -cd 75 198A 0 98,-2.5 100,-2.8 -2,-0.3 2,-0.5 -0.985 17.7-156.6-123.4 129.9 16.3 33.4 15.5 100 101 A V E -cd 76 199A 2 -25,-3.6 -23,-2.5 -2,-0.4 2,-0.5 -0.925 6.9-150.9-109.0 126.7 19.1 36.0 15.6 101 102 A F E -cd 77 200A 0 98,-3.5 100,-3.3 -2,-0.5 2,-0.6 -0.866 6.5-163.0-100.3 126.7 18.5 39.2 17.5 102 103 A H E S-cd 78 201A 2 -25,-2.9 -23,-2.0 -2,-0.5 100,-0.2 -0.883 76.8 -40.9-114.4 96.1 20.3 42.3 16.1 103 104 A N S S+ 0 0 0 98,-3.0 2,-0.3 -2,-0.6 -24,-0.2 0.934 112.3 152.7 44.7 48.0 20.5 45.1 18.8 104 105 A S - 0 0 0 97,-0.4 -24,-0.2 -26,-0.2 -1,-0.2 -0.747 57.0-100.3-115.6 155.9 16.9 43.8 19.3 105 106 A V - 0 0 0 -26,-3.2 -3,-0.1 -2,-0.3 -1,-0.1 -0.389 33.7-149.3 -63.7 147.6 14.3 43.6 22.0 106 107 A L - 0 0 1 -5,-0.1 -1,-0.1 -24,-0.0 -23,-0.1 -0.809 11.1-159.4-126.3 88.5 14.2 40.1 23.4 107 108 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.184 9.6-157.7 -61.9 160.1 10.7 39.2 24.6 108 109 A D - 0 0 4 4,-0.2 80,-0.5 3,-0.2 7,-0.1 -0.628 22.9-123.2-127.4-170.9 10.2 36.4 27.1 109 110 A T S S+ 0 0 9 -2,-0.2 81,-0.1 78,-0.1 78,-0.1 0.489 99.0 63.3-115.1 -7.2 7.5 34.0 28.2 110 111 A E S S+ 0 0 133 2,-0.1 2,-0.2 79,-0.1 77,-0.1 0.731 104.3 44.0 -89.8 -24.5 7.3 34.8 31.9 111 112 A H S S- 0 0 65 1,-0.1 77,-0.4 2,-0.0 -3,-0.2 -0.721 99.7 -77.1-116.9 168.7 6.1 38.4 31.6 112 113 A C > - 0 0 34 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.194 48.7-105.5 -60.3 155.0 3.6 40.2 29.4 113 114 A P T 3 S+ 0 0 3 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.721 119.9 55.8 -55.5 -23.9 4.6 40.9 25.7 114 115 A S T >> S+ 0 0 2 68,-0.5 4,-2.9 1,-0.2 3,-0.6 0.576 78.4 103.0 -86.8 -8.6 5.2 44.6 26.5 115 116 A Y H <> S+ 0 0 66 -3,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.843 83.8 38.3 -40.1 -58.6 7.7 43.8 29.3 116 117 A V H 3> S+ 0 0 1 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.3 0.786 115.9 54.2 -71.0 -25.1 10.9 44.6 27.4 117 118 A V H <> S+ 0 0 1 -3,-0.6 4,-2.2 -4,-0.3 -2,-0.2 0.892 107.2 50.3 -73.1 -39.8 9.3 47.6 25.7 118 119 A D H X S+ 0 0 51 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.897 112.3 48.3 -63.5 -38.5 8.2 49.1 29.0 119 120 A K H X S+ 0 0 39 -4,-1.7 4,-2.3 -5,-0.3 3,-0.5 0.897 107.9 54.8 -68.1 -40.6 11.8 48.6 30.2 120 121 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.918 106.1 51.6 -58.5 -44.5 13.2 50.2 27.1 121 122 A M H < S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.752 108.7 52.3 -66.3 -23.5 11.1 53.3 27.6 122 123 A E H < S+ 0 0 134 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.908 114.8 40.7 -75.5 -44.5 12.4 53.5 31.2 123 124 A V H < S+ 0 0 23 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.849 131.5 25.7 -71.7 -36.9 16.0 53.3 30.0 124 125 A F < + 0 0 19 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.719 69.9 152.3-130.7 80.7 15.5 55.6 27.0 125 126 A P + 0 0 93 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.713 56.4 72.4 -82.8 -21.4 12.5 57.9 27.7 126 127 A D + 0 0 110 1,-0.1 3,-0.1 3,-0.0 -5,-0.0 -0.823 48.3 176.0-103.5 102.7 13.5 60.9 25.6 127 128 A W > - 0 0 15 -2,-0.8 3,-1.9 1,-0.3 21,-0.4 0.059 33.6-147.2 -91.7 27.0 13.2 60.3 21.8 128 129 A K T 3 S+ 0 0 89 1,-0.3 -1,-0.3 22,-0.1 19,-0.0 -0.187 71.8 3.6 49.9-119.3 14.2 63.9 21.1 129 130 A D T 3 S+ 0 0 64 -3,-0.1 -1,-0.3 2,-0.0 20,-0.2 0.320 94.0 129.7 -82.7 10.4 12.5 65.4 18.0 130 131 A T < - 0 0 11 -3,-1.9 2,-0.3 18,-0.2 17,-0.2 -0.405 50.1-142.7 -63.3 138.2 10.4 62.3 17.4 131 132 A T E -F 146 0B 84 15,-2.1 15,-2.2 -2,-0.1 2,-0.3 -0.771 11.2-152.4-107.2 153.0 6.7 63.3 17.0 132 133 A Y E +F 145 0B 121 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.866 15.5 169.4-124.8 157.1 3.6 61.5 18.1 133 134 A F E -F 144 0B 58 11,-1.9 11,-3.0 -2,-0.3 2,-0.4 -0.946 22.0-129.7-153.8 168.2 0.0 61.1 17.1 134 135 A T E +F 143 0B 83 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.963 21.7 171.0-130.2 146.8 -3.0 59.0 17.9 135 136 A Y E -F 142 0B 21 7,-1.9 7,-3.1 -2,-0.4 2,-0.4 -0.960 27.6-121.9-145.6 160.0 -5.5 57.0 15.8 136 137 A T E +F 141 0B 105 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.913 29.3 167.8-112.7 133.8 -8.2 54.5 16.6 137 138 A K E > S-F 140 0B 56 3,-2.1 3,-1.4 -2,-0.4 -88,-0.1 -0.968 71.4 -9.1-145.0 125.2 -8.4 51.0 15.3 138 139 A D T 3 S- 0 0 113 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.902 128.8 -54.2 54.3 45.5 -10.7 48.2 16.5 139 140 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.551 114.7 111.3 70.3 9.4 -11.8 50.3 19.5 140 141 A K E < -F 137 0B 92 -3,-1.4 -3,-2.1 2,-0.0 2,-0.7 -0.934 66.3-129.3-120.1 140.3 -8.3 51.0 20.7 141 142 A E E -F 136 0B 122 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.757 29.6-164.7 -86.1 118.4 -6.3 54.2 20.8 142 143 A I E -F 135 0B 0 -7,-3.1 -7,-1.9 -2,-0.7 2,-0.7 -0.863 14.4-137.1-107.9 137.9 -2.9 53.6 19.3 143 144 A T E -F 134 0B 73 -2,-0.4 34,-0.6 -9,-0.2 35,-0.5 -0.842 23.8-168.1 -95.5 116.6 0.0 55.9 19.7 144 145 A G E -FG 133 176B 0 -11,-3.0 -11,-1.9 -2,-0.7 2,-0.3 -0.595 2.4-164.9 -98.0 164.4 1.9 56.4 16.4 145 146 A L E -FG 132 175B 6 30,-2.3 30,-2.5 -13,-0.2 2,-0.5 -0.985 19.2-151.7-148.3 156.3 5.3 58.0 16.0 146 147 A K E -F 131 0B 76 -15,-2.2 -15,-2.1 -2,-0.3 28,-0.1 -0.975 36.8-117.3-130.2 113.4 7.5 59.5 13.3 147 148 A L - 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0 0 9 -4,-2.3 2,-0.2 -5,-0.3 -159,-0.2 -0.384 51.0-166.2 -62.1 137.3 11.4 56.2 7.4 173 174 A R - 0 0 50 -161,-1.4 -26,-0.3 1,-0.1 -28,-0.1 -0.739 30.7 -78.6-120.2 168.5 7.6 56.3 7.7 174 175 A K + 0 0 71 -2,-0.2 -28,-0.2 -28,-0.1 2,-0.2 -0.399 62.9 153.0 -65.4 144.8 5.2 56.8 10.6 175 176 A G E -G 145 0B 4 -30,-2.5 -30,-2.3 -164,-0.1 2,-0.3 -0.708 29.9-124.5-149.7-158.7 4.8 53.6 12.7 176 177 A S E -G 144 0B 3 -32,-0.2 -32,-0.2 -2,-0.2 -164,-0.1 -0.985 15.9-145.7-162.2 152.9 3.9 52.4 16.1 177 178 A L - 0 0 20 -34,-0.6 5,-0.1 -2,-0.3 -124,-0.1 0.564 34.5-145.5 -92.1 -14.8 5.2 50.3 19.0 178 179 A F > + 0 0 2 -35,-0.5 4,-2.6 3,-0.1 3,-0.3 0.865 38.8 162.1 49.7 37.7 1.6 49.2 19.8 179 180 A Q H > + 0 0 66 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.897 66.6 46.2 -55.2 -48.8 2.8 49.3 23.4 180 181 A N H > S+ 0 0 72 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.790 113.9 50.4 -67.6 -27.0 -0.7 49.4 25.1 181 182 A I H >4 S+ 0 0 33 -3,-0.3 3,-0.8 2,-0.2 4,-0.4 0.887 108.5 51.4 -76.3 -41.5 -1.9 46.6 22.7 182 183 A L H >< S+ 0 0 2 -4,-2.6 3,-1.1 1,-0.2 -68,-0.5 0.871 102.1 62.7 -61.4 -36.6 1.1 44.4 23.6 183 184 A A H 3< S+ 0 0 49 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 110.3 37.8 -61.0 -28.0 0.4 44.9 27.3 184 185 A K T << S+ 0 0 162 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.356 93.9 111.6-104.9 3.7 -3.0 43.2 26.9 185 186 A R S < S- 0 0 40 -3,-1.1 -71,-0.1 -4,-0.4 3,-0.1 -0.484 80.2 -95.8 -79.1 146.2 -1.8 40.5 24.4 186 187 A P - 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