==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-96 2MAS . COMPND 2 MOLECULE: INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRITHIDIA FASCICULATA; . AUTHOR M.DEGANO,V.L.SCHRAMM,J.C.SACCHETTINI . 1252 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 827 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 95 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 383 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 15 1 0 0 5 10 1 4 4 0 4 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 8 4 4 0 4 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 4 5 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 0 0 4 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 90 0, 0.0 2,-0.7 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 -42.5 89.3 45.2 102.9 2 3 A K E -a 27 0A 72 24,-3.1 26,-3.3 118,-0.0 2,-0.4 -0.902 360.0-149.0-104.2 109.1 89.5 43.2 99.6 3 4 A K E +ab 28 120A 55 -2,-0.7 118,-2.0 116,-0.7 2,-0.3 -0.629 25.2 172.0 -76.4 126.7 90.1 39.5 100.3 4 5 A I E -ab 29 121A 0 24,-2.3 26,-2.2 -2,-0.4 27,-0.8 -0.905 32.9-144.6-134.3 160.8 92.0 37.8 97.6 5 6 A I E -ab 31 122A 2 116,-1.4 118,-2.6 -2,-0.3 2,-0.7 -0.999 22.2-151.0-119.4 122.2 93.7 34.4 96.9 6 7 A L E -ab 32 123A 0 25,-2.2 27,-2.3 -2,-0.5 2,-0.6 -0.904 10.8-169.8 -99.2 111.7 96.9 35.0 94.8 7 8 A D E +ab 33 124A 2 116,-1.5 118,-2.9 -2,-0.7 119,-0.3 -0.921 28.4 146.7-101.1 120.2 97.6 31.9 92.6 8 9 A C E -a 34 0A 0 25,-2.6 27,-1.0 -2,-0.6 118,-0.2 -0.918 53.9-131.7-151.5 173.6 101.0 32.3 91.1 9 10 A D - 0 0 0 116,-0.3 29,-0.3 -2,-0.3 5,-0.2 -0.547 43.1-127.9-131.3 66.7 104.2 30.7 89.9 10 11 A P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 37,-0.2 0.203 53.7 135.0 -29.1 103.0 106.9 32.7 91.6 11 12 A G S > S- 0 0 0 75,-0.1 4,-1.8 36,-0.1 3,-0.3 -0.608 76.2 -60.2-131.5-174.7 109.4 33.9 89.1 12 13 A L H > S+ 0 0 0 73,-0.4 4,-1.0 -2,-0.2 3,-0.3 0.885 133.9 36.2 -45.8 -58.9 110.7 37.5 89.0 13 14 A D H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.821 109.1 61.8 -72.7 -28.0 107.5 39.5 88.5 14 15 A D H > S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.905 99.4 60.1 -61.3 -35.2 105.2 37.2 90.6 15 16 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -3,-0.3 3,-0.2 0.929 103.3 48.6 -56.9 -45.5 107.5 38.2 93.5 16 17 A V H X S+ 0 0 0 -4,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.841 107.5 56.4 -65.9 -31.8 106.6 41.9 93.1 17 18 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.881 106.8 49.5 -68.2 -35.9 102.9 41.0 93.0 18 19 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.2 -2,-0.2 0.958 110.8 49.3 -66.8 -47.8 103.3 39.4 96.4 19 20 A L H X S+ 0 0 5 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.950 113.6 46.8 -55.1 -50.5 105.1 42.4 97.9 20 21 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.901 112.0 50.0 -61.1 -40.6 102.4 44.7 96.5 21 22 A A H < S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.818 116.3 42.9 -69.0 -30.1 99.6 42.5 97.8 22 23 A H H < S+ 0 0 65 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.947 116.2 44.5 -78.6 -51.8 101.2 42.4 101.2 23 24 A G H < S+ 0 0 10 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.779 91.6 90.6 -65.8 -31.3 102.2 46.0 101.6 24 25 A N >< - 0 0 11 -4,-2.0 3,-1.2 -5,-0.3 282,-0.1 -0.556 67.8-146.8 -75.5 129.1 99.0 47.6 100.4 25 26 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.539 92.5 64.2 -67.0 -9.9 96.4 48.3 103.1 26 27 A E T 3 S+ 0 0 84 -25,-0.1 -24,-3.1 2,-0.0 2,-0.4 0.699 90.4 74.6 -89.2 -19.3 93.5 47.6 100.8 27 28 A I E < -a 2 0A 15 -3,-1.2 2,-0.6 -26,-0.2 -24,-0.2 -0.755 59.4-161.7 -99.9 136.2 94.2 44.0 100.1 28 29 A E E -a 3 0A 83 -26,-3.3 -24,-2.3 -2,-0.4 2,-1.0 -0.941 17.1-148.5-118.1 104.4 93.6 41.2 102.6 29 30 A L E +a 4 0A 20 -2,-0.6 -24,-0.2 -26,-0.2 3,-0.1 -0.650 20.1 177.1 -77.1 99.7 95.7 38.2 101.5 30 31 A L E - 0 0 23 -26,-2.2 2,-0.3 -2,-1.0 -25,-0.2 0.831 65.8 -20.0 -71.0 -35.2 93.8 34.9 102.4 31 32 A A E -a 5 0A 0 -27,-0.8 -25,-2.2 29,-0.2 2,-0.5 -0.967 47.3-134.4-169.4 155.8 96.4 32.6 100.8 32 33 A I E -ac 6 62A 0 29,-2.4 31,-1.6 -2,-0.3 2,-0.4 -0.991 30.5-174.3-116.9 115.4 99.2 32.2 98.3 33 34 A T E -ac 7 63A 0 -27,-2.3 -25,-2.6 -2,-0.5 2,-0.2 -0.914 10.3-143.4-112.3 144.8 98.8 29.1 96.1 34 35 A T E +ac 8 64A 0 29,-2.0 31,-0.6 -2,-0.4 2,-0.3 -0.710 16.7 178.7-111.8 159.1 101.3 27.8 93.6 35 36 A V - 0 0 0 -27,-1.0 4,-0.2 -2,-0.2 32,-0.2 -0.946 39.4 -87.4-144.1 164.6 101.2 26.1 90.1 36 37 A V S S+ 0 0 7 30,-1.2 91,-0.6 -2,-0.3 4,-0.2 -0.415 78.2 95.0 -70.0 156.5 103.7 24.9 87.5 37 38 A G S S+ 0 0 1 2,-2.2 40,-0.6 89,-0.1 -1,-0.1 -0.583 78.5 33.8 165.4-103.0 104.8 27.5 84.9 38 39 A N S S- 0 0 10 -29,-0.3 39,-1.5 38,-0.2 2,-0.2 0.871 136.9 -8.1 -51.2 -38.0 107.8 29.7 85.1 39 40 A Q S S- 0 0 12 -4,-0.2 -2,-2.2 37,-0.2 36,-0.1 -0.835 100.2 -62.6-145.1 179.6 109.5 26.8 86.8 40 41 A T > - 0 0 57 -2,-0.2 4,-2.3 -4,-0.2 3,-0.5 -0.392 55.7-104.5 -69.4 149.7 108.5 23.3 88.1 41 42 A L H > S+ 0 0 30 26,-0.3 4,-1.8 1,-0.2 5,-0.2 0.749 119.5 54.4 -43.6 -37.0 106.1 23.3 91.1 42 43 A A H > S+ 0 0 75 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.975 111.9 42.2 -66.3 -52.3 108.8 22.5 93.5 43 44 A K H > S+ 0 0 67 -3,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.944 114.7 50.6 -58.1 -49.3 111.0 25.4 92.6 44 45 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.853 110.5 49.5 -59.8 -36.5 108.1 27.8 92.3 45 46 A T H X S+ 0 0 10 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.894 109.2 51.1 -73.0 -37.5 106.9 26.8 95.8 46 47 A R H X S+ 0 0 103 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.919 109.8 52.4 -62.9 -42.6 110.3 27.2 97.4 47 48 A N H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.887 104.3 54.6 -62.1 -42.1 110.4 30.7 95.7 48 49 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.870 109.2 49.0 -61.5 -34.4 107.0 31.7 97.2 49 50 A Q H X S+ 0 0 23 -4,-1.5 4,-2.4 2,-0.2 48,-0.2 0.941 107.8 55.4 -68.9 -46.5 108.4 30.8 100.7 50 51 A L H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.947 113.1 38.8 -51.9 -55.1 111.6 32.9 100.0 51 52 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.875 112.3 57.1 -68.7 -31.0 109.7 36.1 99.2 52 53 A A H <>S+ 0 0 1 -4,-1.9 5,-3.0 -5,-0.3 -1,-0.2 0.896 110.3 46.4 -63.8 -35.4 107.1 35.5 102.0 53 54 A D H ><5S+ 0 0 24 -4,-2.4 3,-2.1 3,-0.2 -2,-0.2 0.974 111.6 50.1 -67.7 -52.7 110.0 35.3 104.4 54 55 A I H 3<5S+ 0 0 36 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 113.3 45.6 -55.2 -40.0 111.7 38.5 103.0 55 56 A A T 3<5S- 0 0 2 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.363 112.3-122.2 -85.6 4.2 108.5 40.5 103.2 56 57 A G T < 5 + 0 0 25 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.877 45.1 175.7 58.9 42.3 107.8 39.2 106.7 57 58 A I < + 0 0 2 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.586 1.2 171.9 -80.8 139.5 104.4 37.6 105.9 58 59 A T + 0 0 111 -2,-0.2 39,-0.0 1,-0.1 -5,-0.0 -0.987 55.1 31.0-144.1 150.4 102.8 35.6 108.7 59 60 A G S S+ 0 0 84 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.592 88.6 111.2 80.1 10.3 99.4 34.1 109.1 60 61 A V - 0 0 25 -29,-0.0 -1,-0.2 2,-0.0 -29,-0.2 -0.968 64.3-132.3-121.8 118.5 99.0 33.4 105.4 61 62 A P - 0 0 34 0, 0.0 -29,-2.4 0, 0.0 2,-0.6 -0.429 9.6-154.6 -70.8 139.5 99.0 29.8 104.2 62 63 A I E -cd 32 99A 2 36,-0.6 38,-2.9 -31,-0.2 2,-0.5 -0.947 19.7-176.9-113.5 107.3 101.2 28.9 101.2 63 64 A A E -c 33 0A 0 -31,-1.6 -29,-2.0 -2,-0.6 2,-0.1 -0.907 19.3-135.9-113.5 130.0 99.7 25.8 99.5 64 65 A A E -c 34 0A 26 -2,-0.5 40,-3.0 36,-0.3 41,-0.2 -0.446 27.5-179.5 -78.3 148.9 101.2 23.9 96.5 65 66 A G - 0 0 5 -31,-0.6 -30,-0.1 1,-0.3 -1,-0.1 -0.273 41.3 -5.1-123.1-143.3 98.9 22.8 93.6 66 67 A C - 0 0 5 1,-0.1 -30,-1.2 -2,-0.1 -1,-0.3 -0.214 43.1-163.3 -57.4 134.0 99.1 21.0 90.3 67 68 A D S S+ 0 0 54 697,-0.3 -26,-0.3 -32,-0.2 -1,-0.1 0.371 73.2 38.7 -98.7 4.2 102.5 20.1 89.1 68 69 A K S S- 0 0 54 696,-0.1 5,-0.1 -32,-0.1 -32,-0.1 -0.988 89.2 -97.1-149.8 155.3 101.4 19.5 85.5 69 70 A P - 0 0 7 0, 0.0 102,-0.1 0, 0.0 5,-0.1 -0.304 44.6-107.5 -68.6 162.0 99.1 21.0 82.9 70 71 A L S S- 0 0 4 1,-0.1 101,-0.1 3,-0.1 3,-0.0 0.917 100.9 -12.3 -57.0 -52.8 95.7 19.3 82.6 71 72 A V S S+ 0 0 8 2,-0.1 -1,-0.1 734,-0.0 100,-0.1 0.695 117.1 76.7-121.7 -38.9 96.4 17.6 79.2 72 73 A R S S- 0 0 80 1,-0.1 2,-0.2 98,-0.1 3,-0.1 -0.238 84.6 -91.2 -77.2 169.0 99.5 19.0 77.6 73 74 A K - 0 0 142 1,-0.1 -1,-0.1 -5,-0.1 -2,-0.1 -0.478 54.7 -85.0 -80.5 148.9 103.1 18.2 78.4 74 75 A I - 0 0 82 -2,-0.2 2,-0.4 -5,-0.1 -1,-0.1 -0.186 46.4-179.1 -53.5 137.9 105.0 20.5 80.9 75 76 A M - 0 0 87 95,-0.1 2,-0.2 -36,-0.1 -36,-0.1 -0.977 4.2-176.9-143.7 121.4 106.5 23.6 79.5 76 77 A T - 0 0 56 -2,-0.4 -38,-0.2 -38,-0.1 -37,-0.2 -0.643 28.6-133.4-115.2 175.3 108.5 26.1 81.7 77 78 A A >> + 0 0 14 -39,-1.5 4,-1.7 -40,-0.6 3,-1.6 -0.314 47.2 142.1-126.3 52.0 110.2 29.4 81.2 78 79 A G H 3> + 0 0 22 1,-0.3 4,-1.0 2,-0.2 7,-0.2 0.617 65.2 68.7 -66.9 -14.8 113.6 28.9 82.9 79 80 A H H 34 S+ 0 0 173 2,-0.2 -1,-0.3 -3,-0.1 152,-0.1 0.626 108.2 37.4 -78.7 -14.0 115.3 31.0 80.2 80 81 A I H <4 S+ 0 0 23 -3,-1.6 -2,-0.2 2,-0.2 147,-0.1 0.799 128.0 30.7-102.2 -42.6 113.6 34.1 81.5 81 82 A H H < S- 0 0 8 -4,-1.7 6,-2.8 1,-0.3 4,-0.4 0.330 107.9-116.4-103.9 12.1 113.6 33.5 85.3 82 83 A G < - 0 0 6 -4,-1.0 3,-0.3 -5,-0.2 -1,-0.3 -0.106 43.5 -65.4 77.4 174.1 116.8 31.4 85.6 83 84 A E S S+ 0 0 158 1,-0.2 -1,-0.2 4,-0.2 5,-0.1 0.918 137.1 49.8 -65.4 -41.6 117.0 27.8 86.8 84 85 A S S S- 0 0 28 3,-0.5 -1,-0.2 1,-0.1 -37,-0.2 0.678 104.6-130.2 -70.2 -18.1 115.8 28.7 90.3 85 86 A G S S+ 0 0 0 -4,-0.4 -73,-0.4 -3,-0.3 -3,-0.1 0.138 98.8 79.3 86.6 -21.7 112.9 30.6 88.8 86 87 A M S > S- 0 0 0 1,-0.2 3,-1.4 -75,-0.2 2,-0.7 -0.237 99.3-127.6-109.4 37.1 113.9 33.4 91.2 87 88 A G T 3 S- 0 0 8 -6,-2.8 -3,-0.5 1,-0.2 -1,-0.2 -0.313 72.7 -18.5 59.3 -98.1 116.7 34.5 88.9 88 89 A T T 3 S+ 0 0 85 -2,-0.7 -1,-0.2 -3,-0.1 2,-0.2 0.038 89.7 130.2-135.5 29.3 119.8 34.8 91.1 89 90 A V < - 0 0 14 -3,-1.4 2,-0.4 1,-0.0 -3,-0.1 -0.605 51.8-128.2 -88.4 148.2 118.8 34.9 94.7 90 91 A A - 0 0 92 -2,-0.2 -2,-0.1 1,-0.0 -1,-0.0 -0.763 25.4-130.4 -92.2 139.9 120.4 32.6 97.3 91 92 A Y - 0 0 56 -2,-0.4 2,-0.1 1,-0.1 4,-0.0 -0.513 18.8-111.2 -93.2 155.4 118.0 30.7 99.5 92 93 A P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.314 25.9-113.6 -75.6 168.1 118.1 30.5 103.3 93 94 A A S S+ 0 0 115 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.885 101.6 11.5 -68.1 -39.6 119.0 27.3 105.2 94 95 A E S S- 0 0 147 -3,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.970 75.4-132.5-139.9 149.4 115.5 27.1 106.6 95 96 A F - 0 0 20 -2,-0.3 -45,-0.1 1,-0.1 -46,-0.0 -0.791 3.8-150.1-102.0 146.8 112.3 29.0 105.7 96 97 A K S S+ 0 0 148 -2,-0.3 2,-0.4 -47,-0.2 -1,-0.1 0.849 87.3 66.7 -80.6 -37.6 110.2 30.5 108.5 97 98 A N S S- 0 0 21 -48,-0.2 2,-0.3 -3,-0.1 -44,-0.1 -0.710 77.4-156.0 -85.5 130.6 107.1 30.0 106.3 98 99 A K - 0 0 122 -2,-0.4 -36,-0.6 -49,-0.0 2,-0.3 -0.754 24.2-102.3-107.3 152.7 106.2 26.3 105.7 99 100 A V B -d 62 0A 61 -2,-0.3 -36,-0.2 -38,-0.1 -53,-0.0 -0.592 45.9-113.9 -74.2 128.5 104.2 24.8 102.8 100 101 A D - 0 0 44 -38,-2.9 -36,-0.3 -2,-0.3 -1,-0.1 -0.052 14.2-124.2 -56.2 165.7 100.6 24.0 104.0 101 102 A E S S+ 0 0 198 -38,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.819 84.9 82.7 -84.3 -34.9 99.4 20.4 104.2 102 103 A R S S- 0 0 106 1,-0.1 2,-0.4 2,-0.1 -38,-0.3 -0.305 86.9-108.8 -72.0 154.6 96.4 20.9 102.0 103 104 A H >> - 0 0 41 1,-0.1 4,-2.6 -40,-0.1 3,-1.2 -0.693 30.0-120.3 -81.0 138.3 96.5 20.8 98.2 104 105 A A H 3> S+ 0 0 0 -40,-3.0 4,-2.8 -2,-0.4 5,-0.3 0.862 113.6 57.3 -47.0 -41.0 95.9 24.3 96.7 105 106 A V H 3> S+ 0 0 0 -41,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.904 110.8 42.2 -61.5 -37.6 92.9 23.0 94.9 106 107 A N H <> S+ 0 0 51 -3,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.926 113.1 52.8 -76.4 -38.2 91.3 21.9 98.1 107 108 A L H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.935 109.2 49.1 -61.0 -49.8 92.4 25.1 100.0 108 109 A I H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.928 113.1 47.1 -55.9 -46.3 90.8 27.4 97.4 109 110 A I H X S+ 0 0 20 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.917 113.0 51.3 -64.1 -38.6 87.6 25.3 97.5 110 111 A D H X S+ 0 0 81 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.965 110.9 45.0 -60.1 -57.5 87.7 25.5 101.3 111 112 A L H X S+ 0 0 25 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.935 115.7 46.9 -55.3 -51.4 88.2 29.2 101.6 112 113 A V H < S+ 0 0 5 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.886 114.8 45.2 -61.0 -42.9 85.5 30.1 99.1 113 114 A M H < S+ 0 0 54 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.830 114.7 48.6 -72.2 -32.0 82.9 27.7 100.5 114 115 A S H < S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.689 103.2 69.7 -82.4 -19.7 83.5 28.7 104.1 115 116 A H S < S- 0 0 55 -4,-1.5 3,-0.1 -5,-0.2 5,-0.1 -0.530 97.2 -80.8 -94.4 169.6 83.3 32.5 103.5 116 117 A E > - 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j 01129J 2 36,-1.9 38,-2.7 -2,-0.5 2,-0.7 -0.840 33.6-132.3-120.4 151.9 96.4 42.0 47.1 1093 152 D M E + j 01130J 4 -27,-2.3 2,-0.2 -2,-0.3 38,-0.2 -0.897 66.6 89.1 -97.5 116.1 93.5 43.3 49.0 1094 153 D G + 0 0 0 36,-1.2 -2,-0.1 -2,-0.7 2,-0.1 -0.846 51.0 42.2 167.8 157.7 92.8 40.8 51.8 1095 154 D G - 0 0 1 -2,-0.2 37,-2.3 36,-0.2 2,-0.2 -0.350 51.0-132.5 90.1-171.4 93.6 39.8 55.4 1096 155 D G - 0 0 2 35,-0.3 120,-0.5 36,-0.2 -1,-0.1 -0.526 4.5-156.4 174.5 111.0 93.9 41.9 58.5 1097 156 D Y S S+ 0 0 35 1,-0.2 121,-0.3 -2,-0.2 3,-0.1 0.804 100.4 10.5 -72.5 -21.9 96.7 41.6 61.0 1098 157 D H S S+ 0 0 68 1,-0.1 2,-0.3 119,-0.1 -1,-0.2 0.272 126.0 53.3-136.2 12.3 94.6 43.0 63.9 1099 158 D E - 0 0 73 6,-0.2 2,-0.3 -821,-0.0 33,-0.2 -0.992 52.6-176.6-146.3 155.5 91.0 43.1 62.4 1100 159 D G - 0 0 6 4,-0.4 7,-0.3 -2,-0.3 4,-0.1 -0.866 12.6-175.5-145.9 165.4 88.6 40.8 60.8 1101 160 D N S S+ 0 0 25 5,-2.0 6,-0.2 -2,-0.3 -1,-0.1 0.524 84.7 50.6-130.1 -44.9 85.2 41.1 59.3 1102 161 D A S S- 0 0 20 4,-1.0 2,-0.2 2,-0.0 5,-0.2 0.910 134.2 -0.7 -63.8 -43.5 84.0 37.6 58.3 1103 162 D T S S- 0 0 39 3,-1.9 5,-0.1 110,-0.0 109,-0.0 -0.775 97.0 -84.0-131.7-177.4 84.9 36.4 61.8 1104 163 D S S S+ 0 0 25 -2,-0.2 -4,-0.4 1,-0.2 -826,-0.3 0.800 127.9 16.9 -63.2 -26.9 86.4 38.3 64.7 1105 164 D V S S+ 0 0 17 106,-0.3 111,-0.4 -6,-0.1 2,-0.4 0.415 113.2 77.8-126.3 1.7 89.9 37.7 63.4 1106 165 D A - 0 0 1 109,-0.2 -5,-2.0 -11,-0.1 -3,-1.9 -0.921 62.2-138.2-124.6 146.1 89.6 36.8 59.7 1107 166 D E >> - 0 0 8 107,-0.4 4,-2.0 -2,-0.4 3,-1.4 -0.759 25.8-118.7 -97.1 140.0 88.9 38.7 56.5 1108 167 D F H 3> S+ 0 0 16 -2,-0.4 4,-2.1 1,-0.3 -1,-0.1 0.821 106.3 55.2 -43.0 -58.3 86.5 37.4 53.9 1109 168 D N H 34 S+ 0 0 10 1,-0.2 -39,-0.6 2,-0.2 -1,-0.3 0.778 114.6 41.9 -52.3 -34.0 88.9 37.1 50.9 1110 169 D I H X4 S+ 0 0 1 -3,-1.4 3,-1.3 -41,-0.1 7,-0.3 0.906 112.5 51.3 -83.4 -39.0 91.2 34.9 52.9 1111 170 D I H 3< S+ 0 0 22 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.759 96.1 67.4 -72.9 -23.9 88.7 32.7 54.6 1112 171 D I T 3< S+ 0 0 11 -4,-2.1 -1,-0.3 1,-0.3 -95,-0.1 0.697 124.2 12.0 -70.9 -11.7 86.7 31.7 51.5 1113 172 D D S <> S+ 0 0 0 -3,-1.3 4,-2.1 -4,-0.2 -1,-0.3 -0.416 70.3 169.2-161.2 80.2 89.8 29.8 50.4 1114 173 D P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.849 78.7 53.5 -66.5 -35.8 92.4 29.4 53.1 1115 174 D E H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.919 107.6 50.8 -70.5 -32.8 94.5 26.8 51.3 1116 175 D A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.958 112.1 47.8 -64.5 -45.9 94.8 29.0 48.3 1117 176 D A H X S+ 0 0 0 -4,-2.1 4,-2.9 -7,-0.3 5,-0.3 0.924 109.1 53.7 -59.3 -42.9 95.9 31.9 50.5 1118 177 D H H X S+ 0 0 22 -4,-2.7 4,-0.9 1,-0.2 -1,-0.3 0.886 108.9 50.3 -59.3 -39.3 98.4 29.6 52.3 1119 178 D I H >X S+ 0 0 2 -4,-2.1 4,-0.7 2,-0.2 3,-0.6 0.972 113.1 45.2 -64.1 -49.2 99.8 28.8 48.8 1120 179 D V H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.937 112.6 48.1 -61.6 -50.4 100.2 32.4 47.8 1121 180 D F H 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 82,-0.2 0.673 112.6 51.8 -67.3 -15.9 101.7 33.7 51.0 1122 181 D N H << S+ 0 0 64 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.537 84.7 95.2-100.7 -5.8 104.2 30.9 51.1 1123 182 D E S << S- 0 0 33 -3,-1.2 -46,-0.0 -4,-0.7 -3,-0.0 -0.398 87.3-110.9 -74.8 164.2 105.7 31.2 47.6 1124 183 D S S S+ 0 0 79 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.503 81.1 110.3 -78.2 -4.2 108.9 33.2 47.4 1125 184 D W S S- 0 0 11 -5,-0.2 2,-0.4 1,-0.1 -36,-0.1 -0.199 81.8 -91.3 -67.8 161.4 107.4 36.1 45.5 1126 185 D Q - 0 0 71 -38,-0.3 -36,-2.7 -39,-0.2 2,-0.4 -0.643 44.4-166.1 -74.3 129.0 107.0 39.5 47.2 1127 186 D V E -jk10901230J 0 102,-2.7 104,-1.5 -2,-0.4 2,-0.6 -0.957 11.6-167.7-122.5 130.1 103.6 39.9 48.7 1128 187 D T E -jk10911231J 0 -38,-2.1 -36,-1.9 -2,-0.4 2,-0.8 -0.976 14.4-152.4-113.3 119.4 102.1 43.2 50.0 1129 188 D M E -jk10921232J 2 102,-3.3 104,-2.2 -2,-0.6 2,-1.3 -0.817 9.2-168.1 -99.6 111.4 99.0 42.7 52.1 1130 189 D V E +j 1093 0J 0 -38,-2.7 -36,-1.2 -2,-0.8 56,-0.1 -0.734 30.9 177.4 -95.8 88.4 96.6 45.6 51.9 1131 190 D G >> - 0 0 1 -2,-1.3 4,-2.5 102,-0.3 3,-1.4 -0.141 48.0 -88.4 -91.1 178.6 94.4 44.4 54.8 1132 191 D L H 3> S+ 0 0 0 -37,-2.3 4,-1.8 1,-0.3 -36,-0.2 0.758 119.7 70.5 -54.6 -27.2 91.4 45.6 56.7 1133 192 D D H 34 S+ 0 0 15 -34,-0.2 -1,-0.3 2,-0.2 101,-0.1 0.894 113.9 27.1 -58.4 -39.5 93.8 47.5 59.0 1134 193 D L H X4 S+ 0 0 0 -3,-1.4 3,-2.8 99,-0.2 4,-0.4 0.942 118.3 55.0 -85.9 -57.5 94.4 49.8 56.1 1135 194 D T H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.3 -3,-0.2 0.654 91.7 71.9 -56.2 -18.7 91.2 49.6 54.1 1136 195 D H T 3< S+ 0 0 28 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 0.629 94.8 58.1 -72.4 -7.4 89.1 50.6 57.0 1137 196 D Q T < S+ 0 0 51 -3,-2.8 2,-2.3 1,-0.2 -1,-0.2 0.645 81.4 86.7 -89.7 -21.8 90.6 54.1 56.6 1138 197 D A < + 0 0 0 -3,-0.8 43,-2.4 -4,-0.4 2,-0.2 -0.386 64.8 169.7 -80.8 65.0 89.4 54.4 53.0 1139 198 D L E -M 1180 0K 49 -2,-2.3 2,-1.2 41,-0.2 41,-0.2 -0.544 36.3-138.7 -81.4 139.7 86.0 55.8 54.0 1140 199 D A E -M 1179 0K 3 39,-2.1 39,-0.5 -2,-0.2 -1,-0.1 -0.767 35.2-176.6 -98.4 85.6 83.7 57.3 51.4 1141 200 D T >> - 0 0 40 -2,-1.2 4,-2.2 37,-0.1 3,-0.9 -0.429 41.4 -96.4 -81.4 160.7 82.4 60.3 53.3 1142 201 D P H 3> S+ 0 0 102 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.844 123.2 55.0 -43.5 -47.0 79.8 62.9 52.2 1143 202 D P H 3> S+ 0 0 76 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.922 109.9 46.9 -55.1 -45.0 82.4 65.3 50.9 1144 203 D I H <> S+ 0 0 1 -3,-0.9 4,-2.0 2,-0.2 5,-0.2 0.949 111.4 49.6 -63.9 -48.7 83.9 62.6 48.7 1145 204 D L H X S+ 0 0 33 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.883 111.3 51.1 -59.8 -34.2 80.6 61.5 47.4 1146 205 D Q H X S+ 0 0 90 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.950 106.6 52.0 -67.2 -48.9 79.8 65.2 46.6 1147 206 D R H < S+ 0 0 95 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.867 111.8 50.4 -55.5 -33.1 83.1 65.7 44.8 1148 207 D V H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 4,-0.5 0.924 104.8 53.7 -71.7 -45.2 82.1 62.6 42.8 1149 208 D K H >< S+ 0 0 121 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.858 103.1 60.8 -57.9 -34.7 78.6 63.8 41.9 1150 209 D E T 3< S+ 0 0 133 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.657 85.7 72.2 -68.5 -16.7 80.2 67.0 40.5 1151 210 D V T < S- 0 0 28 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.775 84.4-165.1 -68.6 -24.0 82.2 65.0 37.9 1152 211 D D < + 0 0 106 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.1 0.816 36.0 122.9 41.1 54.9 78.9 64.7 36.3 1153 212 D T S > S- 0 0 15 1,-0.1 4,-2.1 100,-0.0 5,-0.2 -0.823 73.9-102.7-129.3 172.2 79.6 61.9 33.7 1154 213 D N H > S+ 0 0 81 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.947 120.1 48.8 -64.9 -49.2 78.0 58.5 33.2 1155 214 D P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.924 114.0 49.9 -55.0 -43.2 80.8 56.4 34.9 1156 215 D A H > S+ 0 0 2 97,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.857 108.5 50.0 -63.5 -39.7 80.6 58.9 37.8 1157 216 D R H X S+ 0 0 104 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.903 110.9 52.1 -68.0 -33.7 76.8 58.6 38.1 1158 217 D F H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.959 110.4 46.2 -62.9 -54.9 77.3 54.8 38.1 1159 218 D M H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.881 110.8 53.6 -56.2 -40.8 79.9 54.9 40.9 1160 219 D L H X S+ 0 0 41 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.912 109.2 49.9 -61.7 -40.0 77.6 57.2 42.9 1161 220 D E H X S+ 0 0 100 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.953 115.8 39.2 -65.8 -49.5 74.8 54.8 42.5 1162 221 D I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.915 112.7 56.4 -69.7 -37.5 76.7 51.7 43.7 1163 222 D M H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.816 105.0 55.5 -62.1 -29.0 78.5 53.7 46.4 1164 223 D D H X S+ 0 0 79 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.968 109.4 43.0 -67.5 -51.9 75.1 54.6 47.7 1165 224 D Y H X S+ 0 0 53 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.906 113.2 53.0 -58.8 -45.4 74.0 51.0 48.0 1166 225 D Y H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.907 108.3 51.9 -56.5 -44.1 77.3 50.0 49.6 1167 226 D T H X S+ 0 0 12 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.862 105.5 53.3 -64.3 -39.5 76.9 52.8 52.1 1168 227 D K H X S+ 0 0 95 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.930 110.8 48.1 -62.7 -42.4 73.4 51.7 53.1 1169 228 D I H < S+ 0 0 21 -4,-2.0 4,-0.4 1,-0.2 5,-0.4 0.961 111.2 48.1 -63.1 -53.8 74.7 48.2 53.8 1170 229 D Y H < S+ 0 0 13 -4,-2.3 6,-0.5 1,-0.2 -1,-0.2 0.855 109.8 52.7 -56.7 -39.6 77.8 49.3 55.9 1171 230 D Q H < S+ 0 0 89 -4,-2.1 -1,-0.2 4,-0.2 -2,-0.2 0.875 125.9 24.5 -66.8 -33.3 75.7 51.6 58.0 1172 231 D S S >< S+ 0 0 64 -4,-1.5 3,-0.8 -3,-0.4 -3,-0.2 0.825 127.0 33.2 -90.0 -89.0 73.3 48.8 58.8 1173 232 D N T 3 S+ 0 0 83 -4,-0.4 2,-0.7 1,-0.3 -3,-0.2 0.792 131.5 16.9 -31.8 -81.1 74.8 45.3 58.5 1174 233 D R T 3 S- 0 0 103 -5,-0.4 -1,-0.3 2,-0.0 -2,-0.1 -0.640 102.5-121.2-107.7 74.5 78.5 45.6 59.5 1175 234 D Y < + 0 0 127 -3,-0.8 2,-0.3 -2,-0.7 -895,-0.3 0.355 54.5 128.9 -24.0 124.6 78.4 49.0 61.4 1176 235 D M - 0 0 68 -6,-0.5 -2,-0.0 -5,-0.1 3,-0.0 -0.887 60.9-115.7-171.3 150.3 80.5 52.0 60.4 1177 236 D A S S+ 0 0 96 -2,-0.3 2,-0.3 2,-0.0 -6,-0.1 0.816 100.4 10.3 -65.0 -33.7 79.5 55.6 59.8 1178 237 D A S S- 0 0 8 -8,-0.1 2,-0.2 -37,-0.1 -37,-0.1 -0.848 93.6 -90.0-136.8 170.9 80.5 55.4 56.1 1179 238 D A E -M 1140 0K 0 -39,-0.5 -39,-2.1 -2,-0.3 2,-0.5 -0.572 29.9-133.7 -88.0 151.1 81.5 52.5 53.8 1180 239 D A E -M 1139 0K 0 -41,-0.2 2,-1.0 -2,-0.2 -41,-0.2 -0.917 12.1-153.0-101.4 124.6 85.1 51.4 53.4 1181 240 D V + 0 0 0 -43,-2.4 4,-0.5 -2,-0.5 -44,-0.0 -0.796 21.8 174.5-103.0 91.3 86.0 50.9 49.8 1182 241 D H > + 0 0 11 -2,-1.0 3,-1.4 1,-0.2 4,-0.5 0.929 58.3 59.3 -61.1 -59.5 88.8 48.3 50.0 1183 242 D D T >> S+ 0 0 3 1,-0.3 3,-1.9 2,-0.2 4,-1.0 0.831 95.3 59.3 -49.8 -43.5 89.8 47.2 46.6 1184 243 D P H 3> S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 3,-0.4 0.823 95.4 68.9 -57.0 -29.0 90.9 50.5 45.0 1185 244 D C H <> S+ 0 0 0 -3,-1.4 4,-1.7 -4,-0.5 -2,-0.2 0.809 95.6 53.0 -59.9 -32.3 93.5 50.7 47.8 1186 245 D A H <> S+ 0 0 0 -3,-1.9 4,-0.7 -4,-0.5 -1,-0.2 0.856 112.7 43.1 -71.0 -35.3 95.3 47.7 46.3 1187 246 D V H >X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.4 3,-0.8 0.916 108.8 58.8 -75.9 -41.7 95.5 49.5 42.9 1188 247 D A H 3X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.3 7,-0.2 0.906 101.1 56.0 -54.1 -43.5 96.5 52.9 44.5 1189 248 D Y H 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.864 106.6 49.6 -60.1 -33.4 99.5 51.3 46.0 1190 249 D V H << S+ 0 0 13 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.905 113.3 47.1 -70.9 -38.2 100.7 50.1 42.6 1191 250 D I H < S- 0 0 15 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.965 136.9 -0.5 -65.2 -56.0 100.2 53.6 41.2 1192 251 D D >< - 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