==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROXYNITRILE LYASE 10-DEC-99 1DWP . COMPND 2 MOLECULE: HYDROXYNITRILE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MANIHOT ESCULENTA; . AUTHOR H.LAUBLE,U.WAGNER,C.KRATKY,B.MIELICH,H.WAJANT,S.FORSTER, . 520 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.5 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 . 2 0.4 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-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 . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 4 1 2 3 0 4 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 3 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 PARALLEL BRIDGES PER LADDER . 2 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 -4 A P 0 0 177 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.2 43.4 19.2 154.1 2 -3 A I - 0 0 165 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.903 360.0-163.8-139.0 128.7 41.2 19.0 151.0 3 -2 A S - 0 0 111 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.861 2.9-156.7-111.2 152.6 43.2 19.7 147.9 4 -1 A K - 0 0 146 -2,-0.3 2,-0.4 2,-0.0 255,-0.1 -0.985 12.7-175.2-137.3 141.4 41.4 20.6 144.6 5 1 A M - 0 0 145 -2,-0.3 2,-0.3 253,-0.1 251,-0.1 -0.985 14.1-168.5-134.9 133.5 42.6 20.3 140.9 6 2 A V - 0 0 26 -2,-0.4 2,-0.4 249,-0.3 253,-0.2 -0.896 17.5-144.7-126.6 145.8 40.3 21.6 138.1 7 3 A T - 0 0 102 -2,-0.3 2,-0.2 251,-0.1 28,-0.1 -0.905 31.6-178.1-106.7 142.4 40.3 21.4 134.2 8 4 A A - 0 0 10 -2,-0.4 28,-2.6 28,-0.0 2,-0.6 -0.746 32.9-112.2-134.5 174.0 39.1 24.5 132.5 9 5 A H E -a 36 0A 30 68,-0.4 70,-2.6 253,-0.3 2,-0.4 -0.976 34.4-165.2-112.9 111.8 38.3 26.0 129.1 10 6 A F E -ab 37 79A 0 26,-2.5 28,-2.4 -2,-0.6 2,-0.6 -0.839 9.5-158.2 -97.0 134.1 40.8 28.7 128.3 11 7 A V E -ab 38 80A 0 68,-2.7 70,-2.6 -2,-0.4 2,-0.5 -0.972 15.8-152.0-110.6 113.6 40.2 31.2 125.4 12 8 A L E -ab 39 81A 0 26,-2.7 28,-1.4 -2,-0.6 2,-0.6 -0.781 9.5-165.4 -93.9 124.5 43.5 32.6 124.4 13 9 A I E -ab 40 82A 0 68,-3.3 70,-1.9 -2,-0.5 73,-0.2 -0.916 7.0-148.4-118.9 110.5 43.4 36.1 122.9 14 10 A H - 0 0 0 26,-0.6 2,-0.1 -2,-0.6 6,-0.1 -0.205 22.2-106.8 -60.5 167.2 46.4 37.6 121.0 15 11 A T > - 0 0 4 1,-0.2 3,-1.7 4,-0.2 27,-0.1 -0.414 52.4 -66.2 -91.9 175.2 47.4 41.3 120.9 16 12 A I T 3 S+ 0 0 11 1,-0.3 2,-0.2 -2,-0.1 165,-0.2 -0.086 121.8 21.1 -59.9 151.2 46.9 43.7 117.8 17 13 A C T 3 S+ 0 0 0 163,-0.5 162,-2.8 1,-0.2 29,-0.3 0.023 114.8 81.2 77.9 -24.8 49.1 42.9 114.8 18 14 A H < - 0 0 2 -3,-1.7 28,-0.7 -2,-0.2 2,-0.3 -0.094 64.9-152.9 -96.6-164.4 49.5 39.3 116.0 19 15 A G > - 0 0 0 26,-0.2 3,-1.8 -3,-0.1 4,-0.2 -0.880 43.9 -70.7-154.1-172.5 47.1 36.2 115.7 20 16 A A G > S+ 0 0 4 1,-0.3 3,-2.1 -2,-0.3 416,-0.1 0.775 114.6 82.0 -58.5 -29.3 46.2 33.0 117.3 21 17 A W G > S+ 0 0 0 1,-0.3 3,-1.9 414,-0.2 -1,-0.3 0.716 75.1 69.2 -49.5 -26.8 49.6 31.6 116.2 22 18 A I G < S+ 0 0 0 -3,-1.8 3,-0.5 1,-0.3 4,-0.3 0.765 96.3 57.2 -71.2 -17.4 51.5 33.2 119.2 23 19 A W G <> S+ 0 0 0 -3,-2.1 4,-2.9 -4,-0.2 -1,-0.3 0.271 72.3 110.0 -90.8 14.3 49.7 30.7 121.4 24 20 A H T <4 S+ 0 0 0 -3,-1.9 -1,-0.2 1,-0.2 407,-0.2 0.707 84.1 37.3 -69.5 -15.8 51.1 27.8 119.4 25 21 A K T > S+ 0 0 70 -3,-0.5 4,-1.4 218,-0.2 -1,-0.2 0.781 118.1 47.5 -95.7 -40.3 53.4 26.6 122.2 26 22 A L H > S+ 0 0 0 -4,-0.3 4,-2.7 217,-0.2 5,-0.3 0.920 104.2 62.7 -71.7 -35.3 51.1 27.4 125.2 27 23 A K H X S+ 0 0 25 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.940 107.3 40.8 -60.8 -48.4 48.0 25.7 123.6 28 24 A P H > S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.912 114.3 55.0 -64.5 -31.8 49.6 22.1 123.5 29 25 A A H X S+ 0 0 4 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.917 110.3 44.9 -66.3 -41.3 51.1 22.7 127.0 30 26 A L H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 3,-0.4 0.881 111.9 52.6 -67.9 -37.0 47.7 23.5 128.4 31 27 A E H ><5S+ 0 0 71 -4,-2.1 3,-1.7 -5,-0.3 -2,-0.2 0.806 99.0 63.7 -72.7 -25.4 46.2 20.5 126.5 32 28 A R H 3<5S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.897 101.1 52.7 -61.0 -34.4 48.8 18.3 128.0 33 29 A A T 3<5S- 0 0 51 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.445 125.5-106.6 -78.4 -1.9 47.2 19.1 131.3 34 30 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.540 73.0 140.7 89.6 7.0 43.8 18.1 130.0 35 31 A H < - 0 0 9 -5,-2.0 2,-0.4 -28,-0.1 -1,-0.3 -0.411 54.2-121.1 -80.4 160.1 42.4 21.6 129.6 36 32 A K E -a 9 0A 119 -28,-2.6 -26,-2.5 -2,-0.1 2,-0.4 -0.865 33.1-166.1 -93.9 135.4 40.3 22.7 126.7 37 33 A V E -a 10 0A 6 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.991 15.7-174.4-131.3 131.8 41.9 25.6 124.7 38 34 A T E -a 11 0A 21 -28,-2.4 -26,-2.7 -2,-0.4 2,-0.5 -0.997 6.6-169.3-117.9 124.1 40.3 27.9 122.1 39 35 A A E -a 12 0A 25 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.970 13.2-164.9-118.2 116.9 42.8 30.4 120.3 40 36 A L E -a 13 0A 31 -28,-1.4 -26,-0.6 -2,-0.5 2,-0.4 -0.762 19.5-136.6-105.7 144.1 41.0 32.9 118.2 41 37 A D - 0 0 30 -2,-0.3 3,-0.1 -22,-0.1 -22,-0.1 -0.822 26.9-139.7 -89.8 137.4 42.1 35.4 115.6 42 38 A M > - 0 0 0 -2,-0.4 3,-1.5 1,-0.2 6,-0.2 -0.379 46.8 -60.0 -90.4 173.5 40.5 38.8 116.1 43 39 A A T 3 S+ 0 0 0 18,-2.3 -1,-0.2 1,-0.3 3,-0.1 -0.211 124.8 4.1 -57.7 143.6 39.2 40.8 113.0 44 40 A A T 3 S+ 0 0 1 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.700 109.9 110.6 55.6 28.7 42.0 41.6 110.5 45 41 A S S X S- 0 0 2 -3,-1.5 3,-2.2 16,-0.1 -26,-0.2 -0.905 76.1 -10.1-130.2 156.3 44.6 39.6 112.6 46 42 A G T 3 S- 0 0 0 -28,-0.7 390,-0.1 -2,-0.3 -27,-0.1 -0.415 132.6 -26.1 55.5-124.0 46.4 36.2 111.9 47 43 A I T 3 S+ 0 0 41 388,-0.3 -1,-0.3 -2,-0.1 -28,-0.1 -0.024 94.5 139.1-108.2 23.6 44.7 34.8 108.8 48 44 A D < - 0 0 22 -3,-2.2 -6,-0.1 -6,-0.2 -5,-0.0 -0.597 54.7-135.3 -69.7 135.1 41.4 36.5 109.4 49 45 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.611 73.1 99.1 -74.9 -13.4 40.3 37.6 105.8 50 46 A R - 0 0 65 -5,-0.1 2,-0.3 1,-0.0 -2,-0.1 -0.425 69.3-132.8 -75.6 154.0 39.2 41.1 106.9 51 47 A Q > - 0 0 53 1,-0.1 3,-2.3 -2,-0.1 4,-0.2 -0.822 18.8-119.9-104.9 149.6 41.5 44.1 106.3 52 48 A I G > S+ 0 0 9 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.853 109.8 65.0 -64.2 -27.0 42.1 46.6 109.1 53 49 A E G 3 S+ 0 0 83 1,-0.3 -1,-0.3 86,-0.0 88,-0.0 0.625 96.9 56.4 -70.7 -11.7 40.7 49.4 107.1 54 50 A Q G < S+ 0 0 114 -3,-2.3 2,-0.4 88,-0.1 -1,-0.3 0.415 93.3 87.2 -94.0 0.9 37.3 47.8 107.1 55 51 A I < - 0 0 7 -3,-2.3 3,-0.1 -4,-0.2 6,-0.0 -0.812 53.5-175.0-107.2 140.8 37.2 47.7 111.0 56 52 A N + 0 0 18 -2,-0.4 2,-0.3 1,-0.2 88,-0.1 0.595 58.4 12.3-120.6 -2.5 36.0 50.7 112.9 57 53 A S S > S- 0 0 19 1,-0.1 4,-2.3 125,-0.0 -1,-0.2 -0.970 71.6-106.9-161.8 164.7 36.5 50.2 116.5 58 54 A F H > S+ 0 0 1 -2,-0.3 4,-1.7 126,-0.2 -1,-0.1 0.814 121.9 57.7 -68.0 -32.0 38.3 48.0 119.0 59 55 A D H 4 S+ 0 0 38 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.951 107.4 44.9 -61.4 -47.4 34.8 46.5 119.8 60 56 A E H >4 S+ 0 0 85 1,-0.2 3,-1.7 2,-0.2 -2,-0.2 0.912 110.4 55.7 -61.4 -40.7 34.3 45.6 116.1 61 57 A Y H 3< S+ 0 0 3 -4,-2.3 -18,-2.3 1,-0.3 -1,-0.2 0.856 103.9 55.6 -54.9 -36.9 37.9 44.2 116.2 62 58 A S T >X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 3,-1.3 0.486 73.6 111.6 -76.9 -1.5 36.8 42.0 119.1 63 59 A E H <> + 0 0 65 -3,-1.7 4,-2.7 -4,-0.3 5,-0.3 0.827 69.7 58.4 -45.4 -46.8 33.9 40.4 117.2 64 60 A P H 3> S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.869 108.6 46.9 -57.5 -34.5 35.4 36.9 117.0 65 61 A L H <> S+ 0 0 0 -3,-1.3 4,-2.8 2,-0.2 5,-0.2 0.952 114.0 45.0 -67.7 -49.8 35.6 36.8 120.9 66 62 A L H X S+ 0 0 22 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.932 113.2 50.7 -65.7 -44.7 32.1 38.0 121.5 67 63 A T H X S+ 0 0 50 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.894 111.3 49.1 -53.1 -49.8 30.6 35.6 118.7 68 64 A F H X S+ 0 0 43 -4,-2.0 4,-0.6 -5,-0.3 3,-0.3 0.946 113.1 46.7 -59.2 -48.4 32.5 32.7 120.3 69 65 A L H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.901 108.6 54.7 -67.4 -33.6 31.1 33.6 123.8 70 66 A E H 3< S+ 0 0 115 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.894 107.7 53.4 -58.6 -35.8 27.6 34.1 122.4 71 67 A K H 3< S+ 0 0 156 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.559 81.9 115.8 -75.8 -11.8 28.0 30.5 121.1 72 68 A L S << S- 0 0 18 -3,-1.2 3,-0.1 -4,-0.6 -3,-0.0 -0.372 71.5-108.4 -67.7 138.0 28.9 28.9 124.5 73 69 A P > - 0 0 76 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.203 47.8 -80.2 -55.3 152.4 26.5 26.3 125.9 74 70 A Q T 3 S+ 0 0 191 1,-0.3 3,-0.1 3,-0.0 26,-0.0 -0.258 118.2 15.7 -58.1 132.8 24.4 27.2 128.9 75 71 A G T 3 S+ 0 0 56 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.364 92.5 126.3 84.7 -4.1 26.4 26.9 132.0 76 72 A E < - 0 0 104 -3,-2.3 2,-0.3 25,-0.0 -1,-0.3 -0.680 37.4-171.5 -85.5 144.1 29.9 26.8 130.3 77 73 A K - 0 0 108 -2,-0.3 -68,-0.4 185,-0.2 2,-0.3 -0.972 3.1-158.0-133.3 146.1 32.4 29.3 131.6 78 74 A V E - c 0 101A 0 22,-3.0 24,-2.6 -2,-0.3 25,-0.9 -0.844 19.8-130.8-125.6 156.1 35.8 30.2 130.2 79 75 A I E -bc 10 103A 0 -70,-2.6 -68,-2.7 -2,-0.3 2,-0.6 -0.959 27.4-150.2-100.7 117.1 39.0 31.7 131.5 80 76 A I E -bc 11 104A 0 23,-1.7 25,-2.6 -2,-0.6 2,-0.5 -0.849 10.1-166.5 -89.9 118.8 40.0 34.4 128.9 81 77 A V E -bc 12 105A 0 -70,-2.6 -68,-3.3 -2,-0.6 2,-0.4 -0.949 9.7-177.5-105.9 124.8 43.8 34.9 128.7 82 78 A G E -bc 13 106A 0 23,-2.6 25,-2.5 -2,-0.5 2,-0.3 -0.984 12.0-150.9-127.6 130.2 44.8 38.1 126.9 83 79 A E E > - c 0 107A 0 -70,-1.9 3,-2.9 -2,-0.4 2,-0.2 -0.721 60.0 -30.1 -96.6 152.3 48.4 39.2 126.1 84 80 A S G > S+ 0 0 10 23,-1.5 26,-3.1 24,-0.4 3,-0.7 -0.207 138.3 10.8 49.3-108.4 49.5 42.8 125.7 85 81 A C G > S+ 0 0 5 -2,-0.2 3,-1.7 1,-0.2 4,-0.4 0.651 107.5 91.0 -72.6 -9.4 46.6 44.9 124.3 86 82 A A G <> + 0 0 0 -3,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.574 59.7 82.7 -74.1 -2.5 44.1 42.1 124.9 87 83 A G H <> S+ 0 0 0 -3,-0.7 4,-2.4 1,-0.2 -1,-0.3 0.861 92.4 55.8 -58.6 -29.8 43.0 43.2 128.4 88 84 A L H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.881 103.8 51.5 -65.4 -40.2 40.8 45.6 126.4 89 85 A N H > S+ 0 0 0 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.908 110.5 49.5 -62.3 -40.9 39.3 42.5 124.6 90 86 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.942 110.7 49.0 -64.7 -45.3 38.6 41.0 128.1 91 87 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 108,-0.3 0.911 113.0 47.2 -59.7 -43.8 36.9 44.2 129.3 92 88 A I H < S+ 0 0 0 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.935 115.5 45.5 -60.4 -46.5 34.7 44.4 126.2 93 89 A A H >X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 3,-1.8 0.940 109.1 55.0 -65.8 -45.8 33.7 40.7 126.4 94 90 A A H 3X S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.3 -1,-0.2 0.802 102.4 57.2 -62.7 -30.5 33.1 40.9 130.2 95 91 A D H 3< S+ 0 0 38 -4,-1.5 -1,-0.3 103,-0.2 -2,-0.2 0.585 118.7 32.9 -76.8 -7.9 30.6 43.8 129.7 96 92 A R H <4 S+ 0 0 98 -3,-1.8 -2,-0.2 -4,-0.4 3,-0.2 0.662 134.3 22.7-106.8 -33.2 28.6 41.5 127.4 97 93 A Y H >< + 0 0 30 -4,-3.2 3,-2.4 -5,-0.2 4,-0.4 -0.105 62.8 143.3-134.7 43.3 29.2 38.0 128.9 98 94 A V G >< S+ 0 0 34 -4,-0.8 3,-1.9 1,-0.3 -1,-0.1 0.896 76.0 62.6 -50.1 -41.1 30.1 38.3 132.6 99 95 A D G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.686 103.7 47.9 -48.4 -33.8 28.1 35.2 133.2 100 96 A K G < S+ 0 0 29 -3,-2.4 -22,-3.0 -23,-0.1 2,-0.6 0.399 93.3 88.8 -98.2 3.2 30.4 33.1 130.9 101 97 A I E < -c 78 0A 6 -3,-1.9 -22,-0.2 -4,-0.4 102,-0.2 -0.902 43.9-179.6-115.3 116.0 33.7 34.3 132.3 102 98 A A E S- 0 0 11 -24,-2.6 101,-0.4 -2,-0.6 2,-0.3 0.882 76.4 -24.4 -75.5 -41.4 35.2 32.4 135.3 103 99 A A E -c 79 0A 0 -25,-0.9 -23,-1.7 99,-0.1 2,-0.4 -0.979 54.9-127.9-163.0 158.7 38.3 34.8 135.4 104 100 A G E -cd 80 204A 0 99,-2.9 101,-2.0 -2,-0.3 2,-0.5 -0.958 22.5-157.2-111.6 133.0 40.2 37.2 133.1 105 101 A V E -cd 81 205A 0 -25,-2.6 -23,-2.6 -2,-0.4 2,-0.6 -0.978 2.7-154.2-115.4 124.0 44.0 36.6 133.0 106 102 A F E -cd 82 206A 0 99,-3.1 101,-3.3 -2,-0.5 2,-0.7 -0.864 7.8-166.3-100.6 119.6 46.2 39.6 132.0 107 103 A H E S-cd 83 207A 0 -25,-2.5 -23,-1.5 -2,-0.6 101,-0.2 -0.861 77.3 -36.4-116.7 92.9 49.5 38.3 130.5 108 104 A N S S+ 0 0 0 99,-2.8 -24,-0.4 -2,-0.7 2,-0.3 0.937 115.2 152.9 54.2 45.4 51.9 41.4 130.3 109 105 A S - 0 0 0 98,-0.4 -1,-0.2 -26,-0.2 -24,-0.2 -0.760 60.7 -98.2-114.6 159.2 48.7 43.1 129.5 110 106 A L - 0 0 0 -26,-3.1 -3,-0.1 -2,-0.3 -23,-0.1 -0.462 36.5-152.0 -63.1 136.0 46.9 46.3 129.6 111 107 A L - 0 0 0 -2,-0.1 -1,-0.1 -24,-0.1 -23,-0.0 -0.827 13.0-159.4-118.9 86.2 44.6 46.3 132.7 112 108 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.157 4.9-156.8 -57.0 158.9 41.6 48.5 132.0 113 109 A D - 0 0 5 4,-0.2 81,-0.6 3,-0.1 7,-0.1 -0.749 22.7-126.8-123.9-172.8 39.6 49.9 134.9 114 110 A T S S+ 0 0 13 -2,-0.2 82,-0.1 79,-0.1 79,-0.1 0.530 99.3 67.6-107.8 -17.4 36.0 51.2 135.2 115 111 A V S S+ 0 0 91 2,-0.1 2,-0.2 80,-0.1 -1,-0.1 0.795 102.0 39.2 -74.3 -30.6 36.9 54.5 136.8 116 112 A H S S- 0 0 53 1,-0.2 78,-0.4 2,-0.0 -3,-0.1 -0.657 102.5 -69.5-116.8 175.0 38.6 56.1 133.8 117 113 A S > - 0 0 34 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.278 47.7-111.2 -56.6 150.1 38.0 56.1 130.0 118 114 A P T 3 S+ 0 0 2 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.780 119.8 56.7 -50.8 -28.1 38.7 52.8 128.1 119 115 A S T >> S+ 0 0 1 69,-0.5 4,-2.2 1,-0.2 3,-0.6 0.616 79.1 97.2 -82.4 -7.5 41.7 54.6 126.5 120 116 A Y H <> S+ 0 0 44 -3,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.841 82.5 44.7 -53.5 -47.4 43.3 55.4 129.8 121 117 A T H 3> S+ 0 0 1 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.3 0.840 111.4 56.2 -73.3 -24.6 45.8 52.6 130.1 122 118 A V H <> S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.3 -2,-0.2 0.948 107.4 48.0 -66.9 -47.0 46.8 53.0 126.5 123 119 A E H X S+ 0 0 73 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.939 113.5 48.8 -55.6 -47.7 47.7 56.8 127.1 124 120 A K H X S+ 0 0 45 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.901 108.7 52.7 -61.8 -38.6 49.7 55.6 130.1 125 121 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.944 109.5 49.9 -59.9 -45.8 51.4 52.9 128.1 126 122 A L H < S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.0 52.8 -68.8 -32.6 52.4 55.5 125.5 127 123 A E H < S+ 0 0 135 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.916 114.4 44.9 -63.0 -40.6 53.8 57.9 128.1 128 124 A S H < S+ 0 0 39 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.884 130.9 19.4 -68.5 -41.6 55.9 55.0 129.4 129 125 A F S < S+ 0 0 22 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.832 71.3 157.4-132.9 86.3 57.1 53.7 125.9 130 126 A P + 0 0 98 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.670 54.3 73.7 -88.8 -12.8 56.7 56.5 123.4 131 127 A D - 0 0 111 1,-0.1 3,-0.1 -5,-0.0 0, 0.0 -0.849 50.6-177.5-112.5 114.6 59.2 55.4 120.8 132 128 A W > - 0 0 21 -2,-0.7 3,-2.3 1,-0.3 22,-0.5 0.129 31.0-147.7-100.7 27.7 58.2 52.4 118.7 133 129 A R T 3 S+ 0 0 93 1,-0.3 -1,-0.3 23,-0.1 20,-0.0 -0.251 73.9 3.8 54.4-116.2 61.5 52.5 116.9 134 130 A D T 3 S+ 0 0 67 -3,-0.1 -1,-0.3 2,-0.0 21,-0.2 0.269 94.4 131.2 -86.0 10.6 61.1 51.4 113.3 135 131 A T < - 0 0 12 -3,-2.3 2,-0.4 19,-0.2 18,-0.2 -0.381 47.8-143.7 -60.1 139.0 57.3 51.0 113.5 136 132 A E E -F 152 0B 111 16,-2.4 16,-2.2 -2,-0.1 2,-0.3 -0.866 10.1-150.0-106.5 148.2 55.5 52.6 110.6 137 133 A Y E +F 151 0B 114 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.793 16.6 172.7-118.2 153.2 52.1 54.3 110.9 138 134 A F E -F 150 0B 66 12,-2.3 12,-2.8 -2,-0.3 2,-0.3 -0.921 14.3-147.4-147.2 167.5 49.2 54.8 108.5 139 135 A T E +F 149 0B 95 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.977 12.3 179.9-138.9 160.3 45.7 56.1 108.7 140 136 A F E -F 148 0B 24 8,-1.8 8,-2.9 -2,-0.3 2,-0.5 -0.918 33.3-110.9-144.8 167.9 42.3 55.6 107.2 141 137 A T E -F 147 0B 99 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.911 35.1-142.3-106.8 126.7 39.0 57.2 107.8 142 138 A N > - 0 0 14 4,-2.9 3,-2.3 -2,-0.5 -86,-0.1 -0.183 35.4 -77.8 -82.3-177.1 36.4 55.0 109.5 143 139 A I T 3 S+ 0 0 131 1,-0.3 -1,-0.1 2,-0.1 -87,-0.0 0.612 129.7 36.2 -60.6 -19.0 32.6 54.7 109.0 144 140 A T T 3 S- 0 0 107 -88,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.134 125.8 -91.6-119.0 16.3 31.7 57.9 110.9 145 141 A G S < S+ 0 0 46 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.502 76.3 142.9 93.5 3.3 34.7 60.0 109.8 146 142 A E - 0 0 57 -90,-0.1 -4,-2.9 -5,-0.1 2,-0.5 -0.568 50.2-126.6 -73.1 141.0 37.2 59.3 112.7 147 143 A T E -F 141 0B 77 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.764 25.9-156.9 -94.8 134.4 40.8 59.0 111.5 148 144 A I E -F 140 0B 0 -8,-2.9 -8,-1.8 -2,-0.5 2,-0.5 -0.933 5.7-143.3-116.3 133.5 42.3 55.7 112.7 149 145 A T E -F 139 0B 65 -2,-0.5 35,-0.5 -10,-0.2 34,-0.5 -0.846 20.7-178.9 -98.5 127.7 45.9 55.2 113.1 150 146 A T E -F 138 0B 1 -12,-2.8 -12,-2.3 -2,-0.5 2,-0.3 -0.765 7.3-156.6-118.4 167.0 47.3 51.8 112.2 151 147 A M E -FG 137 181B 5 30,-1.7 30,-2.1 -2,-0.3 2,-0.5 -0.986 20.6-146.6-145.9 155.5 50.9 50.5 112.4 152 148 A K E -F 136 0B 65 -16,-2.2 -16,-2.4 -2,-0.3 28,-0.1 -0.998 41.5-123.7-118.0 115.5 53.2 47.8 110.9 153 149 A L - 0 0 11 -2,-0.5 2,-0.1 26,-0.4 -18,-0.1 -0.386 26.2-114.6 -68.2 138.1 55.5 46.9 113.8 154 150 A G > - 0 0 6 -22,-0.5 4,-2.4 1,-0.1 -19,-0.2 -0.441 13.4-126.5 -74.0 152.0 59.1 47.4 113.0 155 151 A F H > S+ 0 0 98 -21,-0.2 4,-2.8 2,-0.2 5,-0.1 0.794 109.0 50.5 -68.9 -31.7 61.4 44.4 112.9 156 152 A V H >>S+ 0 0 60 2,-0.2 4,-3.3 3,-0.2 5,-0.5 0.937 111.4 48.5 -67.6 -49.4 64.0 45.8 115.4 157 153 A L H >>S+ 0 0 0 -25,-0.2 4,-2.4 2,-0.2 5,-1.7 0.932 113.5 49.1 -54.6 -45.0 61.2 46.6 117.8 158 154 A L H X>S+ 0 0 0 -4,-2.4 5,-3.3 3,-0.2 4,-0.6 0.970 115.7 42.8 -57.1 -57.0 60.0 43.0 117.3 159 155 A R H <5S+ 0 0 56 -4,-2.8 7,-0.2 3,-0.2 -2,-0.2 0.907 129.2 23.5 -58.1 -49.0 63.5 41.6 117.8 160 156 A E H <5S+ 0 0 100 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.803 131.0 30.9 -95.9 -31.3 64.5 43.6 120.8 161 157 A N H < - 0 0 92 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.203 32.0-117.5 -49.7 152.8 64.1 31.7 119.5 168 164 A D H > S+ 0 0 72 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.905 119.1 54.4 -65.8 -37.8 65.2 32.8 116.1 169 165 A G H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.863 110.2 46.1 -60.6 -35.1 62.6 30.4 114.7 170 166 A E H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 114.0 47.4 -75.7 -39.1 60.0 32.2 116.8 171 167 A Y H X S+ 0 0 25 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.927 113.6 47.5 -68.6 -44.8 61.2 35.6 115.8 172 168 A E H X S+ 0 0 12 -4,-3.1 4,-1.9 111,-0.2 -2,-0.2 0.930 109.3 55.1 -60.5 -41.5 61.3 34.6 112.1 173 169 A L H X S+ 0 0 0 -4,-2.2 4,-0.9 -5,-0.2 3,-0.5 0.955 105.8 52.5 -53.2 -51.4 57.8 33.1 112.4 174 170 A A H >X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.3 3,-1.0 0.895 108.6 48.6 -52.7 -45.3 56.6 36.5 113.8 175 171 A K H 3< S+ 0 0 43 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.834 108.7 56.2 -64.8 -35.5 58.0 38.4 110.8 176 172 A M H 3< S+ 0 0 20 -4,-1.9 130,-0.4 -3,-0.5 104,-0.3 0.617 121.6 23.1 -72.0 -19.3 56.3 35.9 108.5 177 173 A V H << S+ 0 0 0 -3,-1.0 -131,-0.2 -4,-0.9 -2,-0.2 0.417 83.8 127.0-131.7 7.2 52.7 36.3 109.8 178 174 A M < - 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0 0 146 -3,-0.4 -3,-0.1 -2,-0.2 -4,-0.1 -0.262 17.9-141.5 -54.7 120.4 66.2 12.4 86.4 488 225 B P - 0 0 18 0, 0.0 -24,-0.2 0, 0.0 3,-0.1 -0.276 22.2-110.7 -73.6 167.9 67.5 15.4 88.4 489 226 B D S S+ 0 0 81 -26,-1.9 2,-0.3 1,-0.2 -25,-0.2 0.887 102.2 7.4 -64.3 -37.7 71.1 16.5 88.5 490 227 B K E -l 464 0C 76 -27,-1.4 -25,-2.6 2,-0.0 2,-0.4 -0.993 63.5-161.1-144.7 142.5 71.4 15.4 92.1 491 228 B V E -l 465 0C 63 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.997 8.3-169.5-124.7 129.1 69.1 13.5 94.5 492 229 B Y E -l 466 0C 42 -27,-2.6 -25,-2.0 -2,-0.4 2,-0.5 -0.997 6.1-159.2-117.4 126.7 69.8 13.7 98.2 493 230 B Q E -l 467 0C 82 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.944 4.3-155.3-109.3 129.1 67.8 11.3 100.4 494 231 B V - 0 0 10 -27,-3.0 -25,-0.4 -2,-0.5 2,-0.3 -0.790 18.7-126.0 -97.2 138.3 67.5 12.3 104.1 495 232 B Q S S- 0 0 135 -2,-0.3 2,-0.1 -27,-0.1 -27,-0.0 -0.693 70.9 -13.1 -86.7 143.3 66.9 9.4 106.6 496 233 B G S S+ 0 0 27 -2,-0.3 -26,-0.5 1,-0.1 -2,-0.1 -0.353 84.2 105.2 77.3-149.1 63.9 9.7 108.8 497 234 B G - 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