==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-02 1NDV . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.KINOSHITA . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.3 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.2 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 3 0 1 1 0 2 3 0 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 3 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 170 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.3 57.4 34.0 42.5 2 5 A P - 0 0 54 0, 0.0 3,-0.5 0, 0.0 301,-0.0 -0.464 360.0-115.4 -63.2 135.6 58.3 36.6 39.9 3 6 A A S S+ 0 0 11 1,-0.2 2,-0.3 299,-0.2 299,-0.0 0.787 99.6 9.4 -42.2 -42.3 59.3 34.8 36.7 4 7 A F - 0 0 2 1,-0.1 -1,-0.2 2,-0.1 301,-0.1 -0.767 66.3-166.9-146.4 96.4 62.9 36.0 36.7 5 8 A D + 0 0 126 -3,-0.5 -1,-0.1 -2,-0.3 3,-0.1 0.706 57.4 93.8 -61.5 -23.4 64.1 37.8 39.8 6 9 A K S S- 0 0 68 1,-0.1 -2,-0.1 342,-0.0 342,-0.1 0.130 84.8 -67.7 -60.2 170.7 67.4 39.3 38.3 7 10 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 85,-0.2 -0.320 51.8-155.4 -73.9 162.8 68.0 42.6 36.8 8 11 A K E -a 92 0A 14 83,-1.3 85,-2.2 -3,-0.1 86,-1.1 -0.924 19.6-145.6-140.4 152.3 66.6 43.7 33.6 9 12 A V E -a 94 0A 1 -2,-0.3 280,-0.4 83,-0.2 2,-0.4 -0.870 18.3-172.8-105.6 137.4 66.8 46.0 30.4 10 13 A E E +a 95 0A 0 84,-2.4 86,-2.4 -2,-0.3 280,-0.1 -0.997 13.9 168.6-138.0 138.3 63.8 47.4 28.7 11 14 A L + 0 0 0 -2,-0.4 2,-0.5 278,-0.3 279,-0.1 0.603 63.9 58.4-124.0 -19.2 63.8 49.3 25.4 12 15 A H + 0 0 0 277,-0.2 280,-1.9 246,-0.1 2,-0.3 -0.852 63.3 117.6-123.5 95.3 60.2 49.5 24.3 13 16 A V B -g 292 0B 0 -2,-0.5 85,-2.7 83,-0.3 2,-0.6 -0.940 50.0-132.3-158.2 136.8 57.7 51.3 26.6 14 17 A H B > -b 98 0A 23 278,-2.7 3,-2.5 -2,-0.3 85,-0.2 -0.830 7.9-141.7 -95.1 123.7 55.6 54.4 26.0 15 18 A L G > S+ 0 0 2 83,-2.2 3,-2.3 -2,-0.6 -1,-0.1 0.869 99.2 57.5 -35.5 -47.7 55.4 57.2 28.7 16 19 A D G 3 S+ 0 0 17 82,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.318 108.1 43.2 -94.4 10.0 51.7 57.7 27.9 17 20 A G G < S+ 0 0 0 -3,-2.5 278,-3.2 275,-0.2 -1,-0.3 -0.119 105.7 64.7-120.8 33.5 50.6 54.3 28.6 18 21 A A S < S+ 0 0 1 -3,-2.3 2,-0.3 276,-0.2 68,-0.1 -0.466 71.1 118.8-146.2 58.1 52.7 54.0 31.7 19 22 A I - 0 0 6 -3,-0.1 60,-0.0 63,-0.1 3,-0.0 -0.949 65.4-106.1-113.9 146.1 51.0 56.6 34.0 20 23 A K > - 0 0 79 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.538 13.2-128.0 -81.3 145.1 49.3 55.6 37.3 21 24 A P H >> S+ 0 0 11 0, 0.0 4,-1.5 0, 0.0 3,-1.5 0.961 108.9 56.6 -38.3 -78.6 45.5 55.4 38.0 22 25 A E H 3> S+ 0 0 81 18,-0.6 4,-3.1 2,-0.2 5,-0.2 0.837 108.6 45.8 -13.0 -55.1 45.8 57.6 41.0 23 26 A T H 3> S+ 0 0 8 -3,-0.4 4,-2.2 2,-0.2 5,-0.3 0.857 100.7 67.7 -95.6 -1.0 47.5 60.4 39.1 24 27 A I H S+ 0 0 11 -4,-1.5 4,-1.4 3,-0.2 5,-1.2 0.941 110.4 61.0 -59.6 -43.0 42.6 61.4 39.0 26 29 A Y H X5S+ 0 0 94 -4,-3.1 4,-1.3 -5,-0.3 -2,-0.2 0.948 121.5 26.5 -55.4 -42.1 44.8 63.8 40.8 27 30 A Y H X5S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 6,-0.4 0.880 125.8 52.5 -75.9 -40.4 45.3 65.7 37.5 28 31 A G H <>S+ 0 0 0 -4,-2.8 5,-1.3 -5,-0.3 4,-0.4 0.983 117.4 35.1 -46.9 -72.9 41.9 64.5 36.2 29 32 A K H ><5S+ 0 0 115 -4,-1.4 3,-1.1 2,-0.2 -3,-0.2 0.917 118.4 52.7 -52.4 -44.5 39.9 65.6 39.2 30 33 A R H 3<> S- 0 0 56 1,-0.1 3,-1.9 -14,-0.0 4,-1.2 -0.774 71.9-137.8 -77.2 132.3 38.2 56.0 42.4 40 43 A P T 34 S+ 0 0 45 0, 0.0 -18,-0.6 0, 0.0 -1,-0.1 0.085 102.7 61.3 -58.4 24.4 41.9 55.5 41.7 41 44 A E T 34 S+ 0 0 116 -2,-0.3 4,-0.1 -20,-0.1 -2,-0.0 0.295 99.2 46.4-137.2 5.8 40.9 51.9 41.3 42 45 A E T <> S+ 0 0 76 -3,-1.9 4,-1.8 2,-0.1 5,-0.2 0.608 89.1 70.6-141.6 -10.2 38.5 51.8 38.5 43 46 A L H >X S+ 0 0 1 -4,-1.2 4,-2.6 1,-0.2 3,-1.0 0.998 99.8 63.1 -38.0 -60.0 39.9 53.8 35.7 44 47 A Q H 34 S+ 0 0 54 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.800 103.0 43.3 -40.6 -40.0 42.2 50.8 35.7 45 48 A N H 34 S+ 0 0 75 2,-0.2 3,-0.3 -4,-0.1 -1,-0.3 0.839 118.7 42.5 -91.5 -22.1 39.5 48.3 34.9 46 49 A I H << S+ 0 0 54 -4,-1.8 -2,-0.2 -3,-1.0 -1,-0.1 0.929 121.6 38.1 -77.5 -51.3 37.8 50.4 32.2 47 50 A I S < S+ 0 0 2 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.024 110.1 75.5 -90.1 28.3 41.1 51.7 30.4 48 51 A G S S- 0 0 1 -3,-0.3 2,-0.3 -5,-0.2 249,-0.2 -0.997 76.8-144.0-134.0 138.5 42.6 48.5 30.9 49 52 A M - 0 0 8 247,-2.1 -3,-0.1 -2,-0.4 -2,-0.1 -0.670 20.7-169.9-103.4 164.8 41.8 45.7 28.9 50 53 A D S S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.2 247,-0.0 0.468 76.8 16.8-114.3 -15.3 41.5 42.1 29.6 51 54 A K S S- 0 0 128 214,-0.1 2,-1.7 213,-0.0 -1,-0.2 -0.953 100.4 -55.5-164.6 152.6 41.1 40.8 25.9 52 55 A P + 0 0 48 0, 0.0 214,-0.1 0, 0.0 213,-0.1 -0.274 54.6 174.4 -55.0 77.8 41.6 41.8 22.2 53 56 A L - 0 0 48 -2,-1.7 2,-0.2 212,-0.2 -4,-0.0 -0.056 30.9 -97.9 -43.2 170.4 39.8 45.0 21.4 54 57 A T > - 0 0 81 1,-0.1 4,-3.3 213,-0.0 5,-0.1 -0.572 33.4 -95.6 -99.9 169.5 39.9 46.8 18.1 55 58 A L H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.910 124.1 42.9 -43.3 -55.6 41.9 49.8 16.9 56 59 A P H > S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.961 113.1 52.3 -61.4 -39.5 39.3 52.4 17.5 57 60 A D H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.943 113.5 48.3 -51.5 -48.1 38.4 50.8 21.0 58 61 A F H X S+ 0 0 45 -4,-3.3 4,-0.7 2,-0.2 3,-0.5 0.942 110.8 46.1 -57.1 -55.4 42.1 51.1 21.7 59 62 A L H X S+ 0 0 88 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.750 105.6 61.4 -67.8 -27.4 42.6 54.7 20.6 60 63 A A H >X S+ 0 0 43 -4,-1.8 4,-1.3 -5,-0.3 3,-0.8 0.898 91.7 67.3 -63.3 -33.6 39.6 55.9 22.5 61 64 A K H 3X S+ 0 0 32 -4,-1.4 4,-0.8 -3,-0.5 3,-0.4 0.920 94.0 57.0 -51.5 -39.9 41.1 54.7 25.6 62 65 A F H 3X S+ 0 0 21 -4,-0.7 4,-2.8 1,-0.2 -1,-0.3 0.905 97.4 67.9 -57.4 -34.0 43.7 57.5 25.2 63 66 A D H << S+ 0 0 79 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.888 94.2 52.5 -59.0 -41.9 40.7 60.0 25.1 64 67 A Y H < S+ 0 0 97 -4,-1.3 4,-0.3 -3,-0.4 -1,-0.2 0.977 124.2 18.3 -57.6 -66.1 39.6 59.6 28.7 65 68 A Y H >X S+ 0 0 0 -4,-0.8 3,-2.0 1,-0.2 4,-1.0 0.782 105.1 74.8 -81.9 -31.5 42.9 60.2 30.5 66 69 A M H >X S+ 0 0 0 -4,-2.8 4,-3.3 -5,-0.3 3,-0.8 0.920 94.4 56.8 -47.8 -49.9 45.3 61.9 28.1 67 70 A P H 34 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.711 98.9 63.2 -56.5 -16.2 43.4 65.2 28.5 68 71 A A H <4 S+ 0 0 0 -3,-2.0 -2,-0.2 -4,-0.3 7,-0.1 0.897 117.5 23.1 -73.9 -41.3 44.0 65.1 32.3 69 72 A I H X< S+ 0 0 1 -4,-1.0 3,-1.3 -3,-0.8 7,-0.2 0.795 105.1 83.5 -93.8 -29.6 47.8 65.2 32.0 70 73 A A T 3< S+ 0 0 0 -4,-3.3 35,-0.1 1,-0.2 34,-0.1 -0.432 93.5 28.6 -77.8 149.3 48.5 66.9 28.7 71 74 A G T 3 S+ 0 0 9 33,-1.3 2,-1.0 -2,-0.1 -1,-0.2 0.047 100.1 96.8 95.7 -36.5 48.4 70.5 28.7 72 75 A C X> - 0 0 29 -3,-1.3 4,-1.7 1,-0.2 3,-1.5 -0.702 59.3-159.3-104.4 101.2 49.4 70.7 32.3 73 76 A R H >> S+ 0 0 85 -2,-1.0 4,-1.9 1,-0.2 3,-0.5 0.798 91.6 58.5 -29.0 -52.1 53.1 71.3 32.9 74 77 A D H 3> S+ 0 0 91 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.878 108.3 45.7 -52.1 -44.3 52.9 69.8 36.4 75 78 A A H <> S+ 0 0 0 -3,-1.5 4,-2.3 2,-0.2 5,-0.3 0.815 102.2 62.0 -77.3 -24.2 51.6 66.6 35.1 76 79 A I H S+ 0 0 2 -4,-2.2 5,-1.7 2,-0.2 3,-0.5 0.950 105.5 51.6 -59.8 -38.7 60.8 50.6 36.5 88 91 A A H ><5S+ 0 0 39 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.961 106.0 52.8 -66.4 -42.5 62.7 50.1 39.8 89 92 A K H 3<5S+ 0 0 145 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.844 106.6 55.4 -61.4 -19.9 60.0 48.2 41.3 90 93 A D T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.507 117.4-113.4 -86.2 0.2 60.3 46.1 38.2 91 94 A G T < 5 + 0 0 31 -3,-2.0 -83,-1.3 -4,-0.3 2,-0.6 0.886 61.6 154.4 80.3 29.4 63.9 45.4 38.8 92 95 A V E < -a 8 0A 5 -5,-1.7 -1,-0.2 -85,-0.2 -83,-0.2 -0.811 30.2-174.6-100.0 118.0 65.1 47.3 35.7 93 96 A V E S+ 0 0 34 -85,-2.2 51,-2.7 -2,-0.6 2,-0.4 0.790 78.8 21.3 -79.4 -18.6 68.7 48.7 35.7 94 97 A Y E +ac 9 144A 0 -86,-1.1 -84,-2.4 49,-0.2 2,-0.4 -0.959 63.1 173.1-154.8 129.0 68.2 50.5 32.3 95 98 A V E -ac 10 145A 0 49,-1.7 51,-2.3 -2,-0.4 2,-0.5 -0.997 20.6-152.8-132.3 141.9 65.2 51.5 30.4 96 99 A E E - c 0 146A 0 -86,-2.4 2,-0.4 -2,-0.4 -83,-0.3 -0.957 27.0-165.4-107.4 131.2 64.8 53.5 27.2 97 100 A V E - c 0 147A 0 49,-3.4 51,-2.2 -2,-0.5 2,-0.3 -0.963 2.5-155.7-126.8 148.7 61.5 55.1 27.4 98 101 A R E +bc 14 148A 0 -85,-2.7 -83,-2.2 -2,-0.4 -82,-0.4 -0.777 19.6 142.3-132.9 154.5 59.5 56.8 24.6 99 102 A Y E - c 0 149A 2 49,-2.5 51,-2.0 -2,-0.3 3,-0.1 -0.949 43.4-101.4-170.4 161.7 56.9 59.3 23.7 100 103 A S >> - 0 0 3 -2,-0.3 3,-1.1 49,-0.2 4,-0.8 -0.682 20.0-154.0 -88.8 116.3 55.6 61.9 21.3 101 104 A P H >> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-1.6 0.971 94.2 60.7 -46.8 -46.7 56.2 65.6 22.4 102 105 A H H >4 S+ 0 0 0 1,-0.2 3,-0.7 2,-0.2 49,-0.0 0.917 95.7 59.1 -46.0 -42.4 53.2 66.6 20.3 103 106 A L H <4 S+ 0 0 26 -3,-1.1 -1,-0.2 1,-0.3 -33,-0.1 0.674 108.6 44.4 -74.8 -9.3 50.9 64.5 22.1 104 107 A L H << S+ 0 0 1 -3,-1.6 -33,-1.3 -4,-0.8 -1,-0.3 0.590 95.8 106.4 -94.8 -14.6 51.7 66.3 25.4 105 108 A A << + 0 0 0 -4,-1.7 17,-0.2 -3,-0.7 3,-0.1 -0.181 39.0 176.1 -78.1 164.6 51.5 69.6 23.9 106 109 A N S S+ 0 0 19 15,-4.1 16,-0.2 1,-0.1 2,-0.2 0.525 73.4 37.4-129.9 -11.2 48.9 72.2 24.3 107 110 A S S S+ 0 0 23 14,-2.3 -1,-0.1 13,-0.1 13,-0.1 -0.802 106.3 29.3-124.8 178.0 50.4 75.0 22.4 108 111 A K S S+ 0 0 167 11,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.788 91.1 105.7 49.3 37.4 52.5 75.1 19.1 109 112 A V - 0 0 15 -3,-0.1 -1,-0.1 13,-0.1 49,-0.0 -0.753 62.1-125.6-160.4 103.7 51.1 71.9 17.4 110 113 A E S S+ 0 0 168 -2,-0.2 2,-0.1 1,-0.1 47,-0.1 -0.829 94.1 26.0 -98.8 130.5 48.7 71.4 14.5 111 114 A P S S- 0 0 70 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.603 88.7-133.3 -77.7 164.9 46.3 69.8 15.0 112 115 A I - 0 0 63 -2,-0.1 3,-0.4 4,-0.1 -2,-0.1 -0.710 28.2-137.9 -81.2 108.4 45.6 70.0 18.7 113 116 A P S > S+ 0 0 18 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.044 72.1 27.6 -56.3 161.5 45.0 66.4 20.3 114 117 A W T 3 S- 0 0 43 1,-0.3 -44,-0.0 2,-0.0 -2,-0.0 0.772 118.5 -82.5 61.5 21.9 42.4 65.1 22.8 115 118 A N T 3 S+ 0 0 164 -3,-0.4 -1,-0.3 1,-0.2 -3,-0.1 0.185 86.8 153.2 63.6 -1.8 40.1 67.7 21.8 116 119 A Q < - 0 0 35 -3,-1.5 -1,-0.2 1,-0.1 -4,-0.1 0.204 38.6-117.3 -55.8 160.5 41.8 70.4 24.1 117 120 A A - 0 0 80 1,-0.1 -1,-0.1 -10,-0.0 0, 0.0 -0.244 43.3 -59.7 -92.2-167.6 41.9 74.0 23.8 118 121 A E + 0 0 156 1,-0.1 2,-0.3 2,-0.0 3,-0.2 0.537 57.7 140.4 -52.9-165.5 44.9 76.5 23.4 119 122 A G - 0 0 32 1,-0.1 -11,-0.2 -14,-0.0 -1,-0.1 -0.938 60.7 -93.9 167.9 170.7 47.8 77.2 25.6 120 123 A D S S+ 0 0 111 -2,-0.3 2,-2.3 -49,-0.2 -13,-0.1 0.395 77.5 114.8-107.0 3.6 51.3 78.0 26.4 121 124 A L - 0 0 3 -3,-0.2 -15,-4.1 -50,-0.1 -14,-2.3 -0.411 53.6-166.3 -78.2 79.1 52.3 74.2 26.9 122 125 A T > - 0 0 29 -2,-2.3 4,-2.1 -16,-0.2 -14,-0.1 -0.035 30.6-119.7 -40.2 152.1 54.7 73.9 24.1 123 126 A P H > S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.833 117.2 49.8 -62.2 -44.3 56.2 70.7 22.5 124 127 A D H > S+ 0 0 44 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.905 106.9 52.3 -70.3 -32.3 59.6 71.8 23.4 125 128 A E H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.3 1.000 105.1 57.3 -67.9 -50.3 58.6 72.5 26.9 126 129 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.777 108.1 46.9 -33.1 -48.6 57.2 68.9 27.1 127 130 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.937 113.0 49.5 -66.5 -44.7 60.6 67.6 26.2 128 131 A S H X S+ 0 0 45 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.945 114.0 44.9 -49.6 -55.8 62.3 69.9 28.7 129 132 A L H X S+ 0 0 15 -4,-2.6 4,-1.5 1,-0.2 5,-0.2 0.873 112.6 51.6 -57.4 -45.1 59.9 68.8 31.5 130 133 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 5,-0.2 0.909 105.1 54.8 -62.8 -36.9 60.2 65.1 30.6 131 134 A N H >X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 3,-0.8 0.981 106.4 54.5 -58.6 -65.4 63.9 65.3 30.7 132 135 A Q H 3X S+ 0 0 83 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.749 110.0 41.8 -6.5 -75.8 63.8 66.7 34.3 133 136 A G H 3X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.3 -1,-0.2 0.819 112.5 55.8 -71.1 -30.8 61.6 64.0 35.9 134 137 A L H S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 6,-0.6 0.913 103.7 50.0 -63.7 -43.3 64.3 59.5 38.7 138 141 A E H X5S+ 0 0 32 -4,-2.3 4,-1.5 1,-0.2 5,-0.3 0.986 117.3 43.8 -57.2 -44.0 67.8 58.3 37.7 139 142 A R H <5S+ 0 0 209 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.776 121.4 36.2 -68.3 -32.8 69.1 60.0 40.9 140 143 A D H <5S+ 0 0 101 -4,-2.9 -1,-0.2 1,-0.1 -3,-0.2 0.814 127.2 29.2 -81.8 -41.9 66.4 58.9 43.3 141 144 A F H <5S- 0 0 52 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.1 0.532 97.5-126.0-103.7 -4.4 65.5 55.5 42.3 142 145 A G << + 0 0 67 -4,-1.5 2,-0.4 -5,-0.5 -4,-0.2 0.765 63.3 128.8 63.4 33.5 68.7 54.4 40.8 143 146 A V - 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0 0 105 -3,-1.3 -3,-0.2 -4,-1.0 -4,-0.1 0.885 43.8-176.0 66.5 31.1 72.1 41.0 14.0 254 257 A M < - 0 0 11 -5,-2.3 2,-0.5 -6,-0.1 32,-0.3 -0.406 19.0-132.9 -56.6 146.9 69.0 43.1 13.9 255 258 A H E -i 232 0C 3 -24,-0.8 -22,-2.5 74,-0.1 2,-0.6 -0.844 13.4-155.7-103.6 131.4 67.4 43.6 17.3 256 259 A F E -ij 233 287C 2 30,-2.3 32,-2.0 -2,-0.5 2,-1.9 -0.811 9.8-143.7-105.9 116.1 63.7 43.1 17.7 257 260 A E E -ij 234 288C 0 -24,-2.1 -22,-1.5 -2,-0.6 2,-0.6 -0.531 29.6-159.3 -74.9 86.8 61.9 45.0 20.6 258 261 A I E - j 0 289C 0 -2,-1.9 32,-1.2 30,-1.4 3,-0.1 -0.670 24.9-175.9 -78.5 127.5 59.3 42.4 21.5 259 262 A C > + 0 0 0 -2,-0.6 4,-2.7 30,-0.2 3,-0.1 -0.593 11.2 174.5-101.4 75.6 56.1 43.0 23.4 260 263 A P H > S+ 0 0 0 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.745 78.2 43.0 -63.9 -21.3 54.7 39.5 23.9 261 264 A W H > S+ 0 0 53 29,-0.5 4,-1.5 2,-0.2 3,-0.5 0.910 112.0 53.2 -95.2 -37.4 51.8 40.4 26.0 262 265 A S H > S+ 0 0 0 28,-0.3 4,-2.4 2,-0.2 6,-0.4 0.915 97.8 67.1 -43.2 -47.1 51.0 43.3 23.9 263 266 A S H < S+ 0 0 0 -4,-2.7 6,-3.0 1,-0.2 5,-0.5 0.823 104.2 45.6 -53.4 -30.0 51.0 41.0 20.9 264 267 A Y H >< S+ 0 0 66 -4,-0.8 3,-1.8 -3,-0.5 -1,-0.2 0.958 113.3 45.4 -67.3 -55.0 47.9 39.2 22.3 265 268 A L H 3< S+ 0 0 1 -4,-1.5 -212,-0.2 1,-0.3 -2,-0.2 0.807 115.5 46.3 -77.3 -17.9 45.9 42.1 23.3 266 269 A T T 3< S- 0 0 37 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.585 109.7-112.1 -83.0 -10.3 46.5 44.0 20.2 267 270 A G S < S+ 0 0 47 -3,-1.8 -3,-0.2 -4,-0.3 -4,-0.1 0.414 81.9 122.1 77.3 3.7 45.8 41.3 17.7 268 271 A A S S+ 0 0 13 -5,-0.5 2,-0.5 -6,-0.4 -4,-0.2 0.909 76.8 34.2 -64.2 -37.3 49.4 41.2 16.5 269 272 A W S S- 0 0 43 -6,-3.0 -2,-0.3 -7,-0.1 -1,-0.2 -0.980 89.0-124.4-119.5 129.7 49.8 37.5 17.4 270 273 A K > - 0 0 140 -2,-0.5 3,-3.4 4,-0.2 -6,-0.1 -0.633 8.5-133.6 -81.8 119.3 47.0 35.1 17.1 271 274 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.710 101.9 59.4 -19.0 -45.7 45.7 32.9 19.8 272 275 A D T 3 S+ 0 0 132 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 0.484 107.3 15.1 -65.8 -10.6 45.7 29.9 17.5 273 276 A T S < S- 0 0 63 -3,-3.4 -4,-0.0 1,-0.2 0, 0.0 -0.610 86.5 -5.5-146.1-173.5 49.2 29.9 16.6 274 277 A E - 0 0 104 -2,-0.2 2,-0.7 1,-0.1 -1,-0.2 -0.032 49.8-134.7 -28.0 129.8 52.9 30.3 16.4 275 278 A H >> - 0 0 8 1,-0.2 4,-1.8 -6,-0.1 3,-0.7 -0.953 7.3-140.6 -98.8 124.0 54.4 32.8 18.7 276 279 A A H 3> S+ 0 0 3 -2,-0.7 4,-3.9 1,-0.2 5,-0.3 0.879 99.6 52.0 -37.9 -49.0 56.7 35.0 17.0 277 280 A V H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 102.5 56.9 -75.0 -21.5 59.1 35.0 20.1 278 281 A I H <> S+ 0 0 50 -3,-0.7 4,-4.7 2,-0.2 -1,-0.2 0.968 112.2 43.2 -63.3 -40.9 59.3 31.2 20.4 279 282 A R H X S+ 0 0 104 -4,-1.8 4,-2.8 2,-0.3 -2,-0.2 0.968 112.4 52.0 -68.7 -42.8 60.5 31.2 16.8 280 283 A F H <>S+ 0 0 0 -4,-3.9 5,-2.8 -5,-0.3 -1,-0.2 0.896 113.2 46.5 -62.8 -31.2 62.7 34.0 17.4 281 284 A K H ><5S+ 0 0 51 -4,-2.2 3,-2.1 -5,-0.3 -2,-0.3 0.957 106.3 55.0 -78.6 -41.2 64.1 32.1 20.3 282 285 A N H 3<5S+ 0 0 89 -4,-4.7 -2,-0.2 1,-0.3 -3,-0.2 0.922 112.8 48.0 -56.0 -27.5 64.4 28.8 18.5 283 286 A D T 3<5S- 0 0 63 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.361 111.3-117.3 -93.9 16.5 66.5 30.8 16.0 284 287 A Q T < 5 - 0 0 145 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.852 49.7-179.9 60.9 33.3 68.8 32.6 18.4 285 288 A V < - 0 0 6 -5,-2.8 2,-1.8 -6,-0.2 -1,-0.2 -0.409 38.9-109.2 -65.3 141.6 67.6 36.0 17.4 286 289 A N + 0 0 7 -32,-0.3 -30,-2.3 -2,-0.2 2,-0.2 -0.496 67.9 140.0 -59.2 78.5 68.8 39.4 18.8 287 290 A Y E -j 256 0C 0 -2,-1.8 39,-0.4 -32,-0.2 2,-0.3 -0.725 36.9-156.8-128.2 176.6 65.6 40.3 20.7 288 291 A S E -j 257 0C 1 -32,-2.0 -30,-1.4 -2,-0.2 2,-0.3 -0.873 21.6-117.1-143.4 166.4 64.3 41.9 24.1 289 292 A L E +j 258 0C 0 -280,-0.4 2,-0.3 -2,-0.3 -278,-0.3 -0.864 37.3 173.9-121.7 139.9 61.2 41.7 26.2 290 293 A N - 0 0 0 -32,-1.2 -29,-0.5 -2,-0.3 -28,-0.3 -0.993 35.8-144.1-157.3 150.6 59.1 44.7 26.8 291 294 A T - 0 0 0 -2,-0.3 2,-1.7 -279,-0.2 -278,-0.2 0.763 28.3-179.8 -85.6 -41.9 55.9 46.0 28.3 292 295 A D B S+g 13 0B 4 -280,-1.9 -278,-2.7 1,-0.1 -275,-0.2 -0.403 71.6 14.1 69.2 -82.2 54.8 48.7 25.9 293 296 A D S > S+ 0 0 10 -2,-1.7 4,-2.2 -280,-0.2 5,-0.2 -0.549 70.1 172.5-126.7 71.3 51.6 50.2 27.2 294 297 A P H >>S+ 0 0 6 0, 0.0 5,-1.7 0, 0.0 4,-0.6 0.834 74.4 54.5 -60.1 -32.5 51.5 48.9 30.8 295 298 A L H >45S+ 0 0 6 -278,-3.2 3,-1.8 1,-0.2 -277,-0.1 0.995 114.5 39.1 -45.1 -60.2 48.4 51.0 31.8 296 299 A I H 345S+ 0 0 0 1,-0.3 -247,-2.1 -279,-0.3 -1,-0.2 0.767 118.5 48.5 -79.6 -19.9 46.3 49.8 29.0 297 300 A F H 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -280,-0.3 -2,-0.2 0.474 101.2-128.6-100.7 6.9 47.6 46.2 29.3 298 301 A K T <<5 + 0 0 80 -3,-1.8 2,-0.3 -4,-0.6 -3,-0.2 0.886 66.7 114.3 42.9 63.1 47.1 45.9 33.0 299 302 A S < - 0 0 18 -5,-1.7 2,-0.3 -6,-0.1 -1,-0.2 -0.893 55.2-148.4-151.4 168.5 50.7 44.7 33.4 300 303 A T >> - 0 0 65 -2,-0.3 3,-2.2 -3,-0.1 4,-0.9 -0.926 52.7 -91.0-139.1 162.6 54.3 44.8 34.7 301 304 A L H 3> S+ 0 0 0 1,-0.3 4,-2.4 -2,-0.3 5,-0.3 0.862 129.1 63.3 -49.1 -35.4 57.6 43.4 33.0 302 305 A D H 3> S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.827 92.0 61.3 -56.5 -35.6 56.7 40.4 35.2 303 306 A T H <> S+ 0 0 39 -3,-2.2 4,-2.2 1,-0.2 5,-0.2 0.990 108.4 45.4 -45.1 -58.5 53.5 39.9 33.2 304 307 A D H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.916 115.4 42.7 -54.2 -50.6 55.7 39.4 30.1 305 308 A Y H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.834 110.2 57.8 -73.6 -21.1 58.3 37.1 31.6 306 309 A Q H X S+ 0 0 44 -4,-2.1 4,-4.5 -5,-0.3 -2,-0.2 0.999 108.2 46.5 -59.0 -62.0 55.6 35.1 33.3 307 310 A M H <>S+ 0 0 27 -4,-2.2 5,-1.4 2,-0.2 4,-0.4 0.928 115.0 46.1 -35.2 -64.9 53.9 34.4 29.9 308 311 A T H ><5S+ 0 0 0 -4,-2.3 6,-2.0 -5,-0.2 3,-0.7 0.961 119.1 40.4 -57.2 -45.4 57.2 33.5 28.3 309 312 A K H 3X5S+ 0 0 86 -4,-3.1 4,-0.6 4,-0.2 -2,-0.2 0.964 120.9 47.9 -51.8 -50.6 58.2 31.2 31.4 310 313 A K T 3<5S+ 0 0 121 -4,-4.5 -1,-0.2 -5,-0.3 -2,-0.2 -0.007 129.2 6.4-101.7 26.5 54.6 29.9 31.6 311 314 A D T <45S+ 0 0 131 -3,-0.7 -3,-0.2 -4,-0.4 -1,-0.1 -0.002 125.0 47.1-155.0 -44.2 53.7 29.0 28.2 312 315 A M T 4 - 0 0 79 -2,-0.8 4,-1.1 1,-0.1 -1,-0.0 -0.067 32.5-108.0 -56.2 178.7 64.5 28.8 30.7 316 319 A E H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.650 114.0 65.9-101.0 -4.0 66.3 31.4 32.5 317 320 A E H > S+ 0 0 141 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.853 99.1 58.9 -74.2 -23.6 69.3 31.5 30.5 318 321 A E H >> S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 3,-1.5 0.993 104.3 48.9 -53.3 -74.0 66.9 32.8 27.9 319 322 A F H 3X S+ 0 0 2 -4,-1.1 4,-1.9 1,-0.3 -2,-0.2 0.849 114.2 46.4 -20.6 -52.6 66.0 35.6 30.1 320 323 A K H 3X S+ 0 0 40 -4,-1.8 4,-1.6 2,-0.2 -1,-0.3 0.862 112.6 49.0 -75.4 -24.8 69.7 36.2 30.7 321 324 A R H < S+ 0 0 0 -4,-1.2 3,-1.0 1,-0.2 5,-0.3 0.859 113.9 58.5 -88.4 -26.6 71.9 46.3 26.4 328 331 A K H 3< S+ 0 0 96 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.926 110.5 45.1 -46.2 -47.0 74.2 45.4 23.5 329 332 A S T 3< S+ 0 0 18 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.168 92.6 120.4 -84.3 14.4 71.4 46.9 21.3 330 333 A S S < S- 0 0 3 -3,-1.0 -3,-0.1 -5,-0.2 7,-0.1 -0.358 73.4-123.2 -83.3 159.9 71.0 49.9 23.3 331 334 A F + 0 0 5 -2,-0.1 -124,-0.1 -124,-0.0 -1,-0.1 0.147 64.7 132.9 -94.0 29.7 71.5 53.2 22.3 332 335 A L - 0 0 5 -5,-0.3 5,-0.1 2,-0.1 -2,-0.0 -0.615 65.8-106.2 -58.0 131.9 74.0 54.0 25.0 333 336 A P > - 0 0 34 0, 0.0 4,-1.1 0, 0.0 3,-0.3 -0.378 50.3 -90.6 -55.7 146.8 77.3 55.8 23.8 334 337 A E H > S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.612 122.4 45.3 -57.5 -28.1 80.1 53.3 23.8 335 338 A D H >> S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 3,-0.7 0.994 109.8 57.3 -69.1 -48.0 81.5 53.7 27.3 336 339 A E H 3> S+ 0 0 55 -3,-0.3 4,-2.0 1,-0.3 -2,-0.2 0.788 107.0 47.4 -49.1 -33.2 78.1 53.6 28.9 337 340 A K H 3X S+ 0 0 26 -4,-1.1 4,-2.9 2,-0.2 -1,-0.3 0.879 105.9 54.2 -85.0 -33.9 77.2 50.4 27.4 338 341 A K H < S+ 0 0 125 -4,-2.9 3,-1.3 2,-0.2 -2,-0.2 0.982 111.7 52.6 -58.7 -50.3 77.5 39.9 33.8 346 349 A K H 3< S+ 0 0 158 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.4 43.9 -38.9 -50.6 78.3 40.5 37.5 347 350 A A H 3< 0 0 38 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.454 360.0 360.0 -70.7 -17.2 74.6 39.8 38.4 348 351 A Y << 0 0 58 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.475 360.0 360.0-103.8 360.0 74.1 36.9 36.2