==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-OCT-10 2XTB . COMPND 2 MOLECULE: ADENOSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI RHODESIENSE; . AUTHOR S.KUETTEL,J.GREENWALD,D.KOSTREWA,S.AHMED,L.SCAPOZZA,R.PEROZZ . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 7.7 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 . 3 0.9 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 2 2 1 1 0 1 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 2 2 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 0 0 1 2 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 . 1 0 0 1 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 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 0 A S 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.5 -24.6 -32.0 12.2 2 1 A M - 0 0 133 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.587 360.0-175.9-122.2 -40.5 -21.2 -30.3 12.8 3 2 A A + 0 0 100 1,-0.2 2,-0.5 0, 0.0 0, 0.0 0.847 33.2 161.8 40.6 51.3 -21.8 -26.8 11.5 4 3 A S - 0 0 53 308,-0.1 -1,-0.2 3,-0.0 3,-0.0 -0.881 41.8-154.6-119.4 126.0 -18.1 -26.0 12.2 5 4 A A - 0 0 65 -2,-0.5 79,-0.0 1,-0.1 2,-0.0 -0.699 42.9-103.4 -80.4 142.8 -15.6 -23.4 11.1 6 5 A P - 0 0 12 0, 0.0 306,-0.2 0, 0.0 2,-0.2 -0.309 36.0-100.2 -72.3 154.8 -12.1 -24.6 11.4 7 6 A L - 0 0 76 304,-1.9 2,-0.3 1,-0.1 155,-0.1 -0.494 45.0 -96.2 -74.2 140.8 -9.7 -23.6 14.2 8 7 A R - 0 0 63 153,-0.3 155,-2.7 -2,-0.2 156,-1.8 -0.409 44.9-151.0 -61.0 117.8 -7.2 -20.8 13.4 9 8 A V E -ab 85 164A 0 75,-2.4 77,-2.9 -2,-0.3 2,-0.5 -0.794 9.0-158.6-100.1 133.3 -3.9 -22.6 12.5 10 9 A Y E -ab 86 165A 0 154,-3.4 156,-3.2 -2,-0.4 2,-0.4 -0.938 11.8-173.5-107.4 129.4 -0.5 -21.1 13.0 11 10 A V E -ab 87 166A 0 75,-2.8 77,-3.2 -2,-0.5 2,-0.4 -0.991 5.0-174.8-127.2 127.2 2.4 -22.5 10.9 12 11 A Q E +ab 88 167A 2 154,-2.1 156,-1.3 -2,-0.4 2,-0.3 -0.987 27.3 116.5-122.7 133.4 6.0 -21.7 11.3 13 12 A C - 0 0 1 75,-1.7 77,-0.3 -2,-0.4 -2,-0.0 -0.930 67.0 -66.3-167.1-174.5 8.8 -22.9 9.0 14 13 A N - 0 0 14 -2,-0.3 2,-0.4 75,-0.2 53,-0.3 -0.853 49.6-142.6 -94.1 106.9 11.5 -22.0 6.5 15 14 A P + 0 0 0 0, 0.0 107,-0.5 0, 0.0 2,-0.4 -0.587 23.6 177.8 -77.8 124.1 9.7 -20.6 3.4 16 15 A L E -I 63 0B 20 47,-2.0 47,-3.1 -2,-0.4 2,-0.7 -0.964 27.2-132.3-122.5 141.3 11.3 -21.6 0.0 17 16 A L E -Ij 62 123B 0 105,-2.4 107,-2.6 -2,-0.4 2,-0.8 -0.850 22.4-135.9 -90.4 115.2 10.2 -20.7 -3.5 18 17 A D E -Ij 61 124B 31 43,-2.4 43,-1.7 -2,-0.7 2,-1.0 -0.637 13.4-161.8 -68.5 108.3 10.3 -23.9 -5.6 19 18 A V E -Ij 60 125B 0 105,-3.0 107,-2.8 -2,-0.8 2,-0.5 -0.867 25.5-172.8 -90.7 100.8 11.9 -22.7 -8.9 20 19 A S E +Ij 59 126B 20 39,-3.3 39,-3.7 -2,-1.0 2,-0.3 -0.874 16.9 146.4-116.6 124.2 10.5 -25.7 -10.8 21 20 A A E - j 0 127B 0 105,-2.4 107,-2.8 -2,-0.5 2,-0.5 -0.990 48.1-112.1-153.8 143.9 11.3 -26.8 -14.4 22 21 A H E - j 0 128B 95 -2,-0.3 2,-0.3 105,-0.2 35,-0.2 -0.659 47.7-174.9 -68.7 121.5 11.7 -29.8 -16.7 23 22 A V - 0 0 12 105,-3.1 107,-0.1 -2,-0.5 2,-0.0 -0.822 23.2-106.4-121.7 160.2 15.4 -29.8 -17.6 24 23 A S > - 0 0 61 -2,-0.3 4,-1.2 1,-0.1 3,-0.4 -0.279 33.1-109.1 -75.1 167.0 17.7 -31.9 -19.9 25 24 A D H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.808 121.9 62.1 -62.3 -31.2 20.2 -34.5 -18.7 26 25 A E H > S+ 0 0 143 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.829 97.7 56.9 -62.3 -34.8 22.8 -32.0 -19.8 27 26 A F H > S+ 0 0 14 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.917 109.0 43.8 -63.9 -47.5 21.4 -29.6 -17.2 28 27 A L H <>S+ 0 0 6 -4,-1.2 5,-2.7 2,-0.2 3,-0.2 0.926 115.0 49.3 -62.7 -47.4 22.0 -32.0 -14.3 29 28 A V H ><5S+ 0 0 110 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.907 107.3 56.6 -56.7 -44.9 25.4 -33.0 -15.6 30 29 A K H 3<5S+ 0 0 111 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.876 112.9 40.2 -53.9 -40.8 26.3 -29.3 -15.9 31 30 A Y T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.183 112.2-113.1-102.5 19.0 25.5 -28.7 -12.2 32 31 A G T < 5 + 0 0 42 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.754 61.9 160.6 61.2 29.0 27.1 -31.9 -10.9 33 32 A L < - 0 0 14 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.732 37.2-145.4 -95.1 120.5 23.7 -33.2 -9.9 34 33 A E > - 0 0 148 -2,-0.5 3,-1.5 1,-0.1 -5,-0.0 -0.688 39.9-101.2 -76.8 129.8 22.9 -36.8 -9.2 35 34 A R T 3 S+ 0 0 113 -2,-0.4 99,-0.1 1,-0.2 3,-0.1 -0.239 98.8 9.0 -58.3 133.0 19.4 -37.6 -10.4 36 35 A G T 3 S+ 0 0 35 91,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.533 96.9 122.2 79.7 8.8 16.7 -37.7 -7.7 37 36 A T < - 0 0 54 -3,-1.5 98,-1.1 2,-0.0 2,-0.6 -0.836 53.7-141.3-106.8 143.1 18.8 -36.5 -4.8 38 37 A A E +k 135 0B 74 -2,-0.4 2,-0.3 96,-0.2 98,-0.2 -0.904 32.0 163.9-102.0 122.5 18.2 -33.4 -2.6 39 38 A I E -k 136 0B 62 96,-2.3 98,-2.4 -2,-0.6 2,-0.3 -0.930 40.2-104.6-133.9 158.1 21.2 -31.4 -1.7 40 39 A L E -k 137 0B 112 -2,-0.3 98,-0.2 96,-0.2 2,-0.2 -0.660 51.6 -95.0 -81.1 139.3 22.0 -27.9 -0.3 41 40 A L + 0 0 54 96,-3.0 2,-0.2 -2,-0.3 98,-0.1 -0.353 54.8 170.7 -61.4 120.6 23.4 -25.4 -2.9 42 41 A S > - 0 0 59 -2,-0.2 3,-1.1 96,-0.0 -1,-0.1 -0.441 53.5 -79.6-114.5-169.9 27.2 -25.4 -2.9 43 42 A E G > S+ 0 0 147 1,-0.2 3,-1.3 -2,-0.2 -2,-0.1 0.784 124.7 66.1 -62.5 -28.4 29.9 -23.8 -5.1 44 43 A R G 3 S+ 0 0 128 1,-0.3 -1,-0.2 -12,-0.1 -11,-0.1 0.745 101.0 48.3 -66.3 -25.7 29.4 -26.7 -7.6 45 44 A Q G X S+ 0 0 7 -3,-1.1 3,-1.8 -13,-0.1 2,-0.4 0.029 77.3 148.5-105.1 25.5 25.8 -25.5 -8.3 46 45 A K T < S+ 0 0 161 -3,-1.3 -3,-0.1 1,-0.2 -4,-0.0 -0.479 70.8 17.2 -66.8 115.8 26.8 -21.8 -8.9 47 46 A G T 3> S+ 0 0 27 -2,-0.4 4,-1.8 -16,-0.0 -1,-0.2 0.258 85.0 121.4 109.4 -7.7 24.5 -20.3 -11.5 48 47 A I H <> S+ 0 0 0 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.851 74.4 49.0 -56.6 -42.2 21.7 -23.0 -11.3 49 48 A F H > S+ 0 0 27 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.868 113.3 46.1 -69.9 -37.8 18.9 -20.5 -10.4 50 49 A D H 4 S+ 0 0 115 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.791 118.0 46.0 -68.1 -29.1 19.8 -18.1 -13.2 51 50 A D H >< S+ 0 0 39 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.788 105.6 55.4 -88.8 -33.4 20.0 -21.0 -15.5 52 51 A I H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 6,-0.2 0.728 101.1 61.4 -72.9 -21.9 16.8 -22.9 -14.6 53 52 A E T 3< S+ 0 0 37 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.513 88.6 71.5 -81.9 -5.7 14.8 -19.7 -15.3 54 53 A K T < S+ 0 0 160 -3,-0.9 -1,-0.2 3,-0.0 -2,-0.2 0.762 76.1 99.0 -73.6 -27.4 16.0 -19.9 -18.9 55 54 A M S X S- 0 0 50 -3,-0.7 3,-2.3 -4,-0.4 -32,-0.0 -0.479 74.2-143.5 -65.7 118.3 13.7 -22.9 -19.3 56 55 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.677 99.7 54.1 -59.1 -17.5 10.5 -21.6 -21.0 57 56 A N T 3 S+ 0 0 59 -35,-0.2 -37,-0.1 2,-0.1 -2,-0.1 0.447 77.5 138.0 -94.9 -1.9 8.5 -24.0 -18.8 58 57 A V < - 0 0 26 -3,-2.3 2,-0.3 -6,-0.2 -37,-0.2 -0.111 33.8-165.0 -52.3 134.8 9.9 -22.8 -15.4 59 58 A R E -I 20 0B 165 -39,-3.7 -39,-3.3 2,-0.0 2,-0.6 -0.937 15.7-145.8-125.9 150.0 7.3 -22.4 -12.7 60 59 A Y E +I 19 0B 76 -2,-0.3 -41,-0.2 -41,-0.2 -43,-0.0 -0.911 25.6 166.4-118.6 101.0 7.3 -20.7 -9.3 61 60 A V E -I 18 0B 35 -43,-1.7 -43,-2.4 -2,-0.6 2,-0.1 -0.960 41.8-110.4-112.6 132.5 5.3 -22.4 -6.6 62 61 A P E +I 17 0B 1 0, 0.0 -45,-0.2 0, 0.0 2,-0.2 -0.403 54.7 162.6 -56.9 131.9 5.6 -21.5 -2.9 63 62 A G E +I 16 0B 0 -47,-3.1 -47,-2.0 -2,-0.1 4,-0.1 -0.647 22.8 117.5-143.5-164.6 7.4 -24.3 -1.0 64 63 A G S > S- 0 0 10 -49,-0.2 4,-2.6 -2,-0.2 5,-0.3 0.042 72.4 -84.0 99.8 141.8 9.2 -25.6 2.0 65 64 A S H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.888 126.3 36.7 -42.2 -65.2 8.0 -28.4 4.3 66 65 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.799 116.0 53.3 -64.5 -33.8 5.8 -26.3 6.6 67 66 A L H > S+ 0 0 0 -53,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.834 109.5 48.9 -71.4 -33.3 4.6 -23.9 3.9 68 67 A N H X S+ 0 0 31 -4,-2.6 4,-2.2 -3,-0.2 -2,-0.2 0.841 109.6 52.4 -72.1 -34.6 3.4 -26.9 1.8 69 68 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.926 111.7 47.0 -59.8 -46.0 1.7 -28.3 4.9 70 69 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.857 111.6 50.7 -65.1 -38.4 -0.0 -24.9 5.3 71 70 A R H X S+ 0 0 57 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.896 112.0 46.0 -66.2 -43.7 -1.0 -24.9 1.5 72 71 A V H X S+ 0 0 16 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.888 111.8 51.8 -67.1 -41.4 -2.5 -28.4 1.7 73 72 A A H >X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 3,-0.5 0.888 112.3 46.1 -61.2 -41.0 -4.4 -27.6 4.9 74 73 A Q H 3< S+ 0 0 0 -4,-1.8 6,-0.2 1,-0.2 -1,-0.2 0.812 104.6 61.9 -71.2 -32.5 -5.8 -24.4 3.2 75 74 A W H 3< S+ 0 0 41 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.704 105.5 48.0 -66.8 -21.1 -6.7 -26.4 0.1 76 75 A M H << S+ 0 0 30 -4,-0.8 2,-0.8 -3,-0.5 3,-0.2 0.847 114.6 44.1 -85.2 -40.4 -9.0 -28.6 2.2 77 76 A Q >< + 0 0 34 -4,-1.4 3,-1.2 1,-0.2 -1,-0.2 -0.594 69.3 150.7-102.8 68.5 -10.7 -25.6 3.9 78 77 A Q G > + 0 0 47 -2,-0.8 3,-0.7 -3,-0.4 -1,-0.2 0.731 65.0 65.3 -75.4 -23.3 -11.2 -23.4 0.8 79 78 A A G 3 S+ 0 0 87 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.505 99.6 57.9 -71.7 -4.6 -14.3 -21.7 2.2 80 79 A Y G X + 0 0 70 -3,-1.2 3,-1.3 -6,-0.2 2,-0.4 -0.258 69.2 158.9-124.8 45.8 -12.1 -20.2 4.9 81 80 A K T < S+ 0 0 97 -3,-0.7 28,-0.2 1,-0.3 27,-0.1 -0.582 78.1 7.5 -77.1 123.6 -9.4 -18.3 2.9 82 81 A G T 3 S+ 0 0 38 26,-2.3 -1,-0.3 -2,-0.4 27,-0.1 0.297 124.2 74.0 85.6 -6.2 -7.8 -15.6 5.0 83 82 A K S < S+ 0 0 139 -3,-1.3 -2,-0.2 25,-0.2 3,-0.1 0.150 97.0 37.0-121.5 14.5 -9.7 -17.1 8.0 84 83 A F S S+ 0 0 0 24,-0.5 -75,-2.4 1,-0.4 2,-0.4 0.596 101.7 37.5-131.1 -77.6 -7.7 -20.3 8.6 85 84 A V E -a 9 0A 0 23,-0.4 25,-2.8 -5,-0.2 2,-0.4 -0.743 49.2-169.8 -96.3 133.9 -4.0 -20.7 8.3 86 85 A T E -ac 10 110A 5 -77,-2.9 -75,-2.8 -2,-0.4 2,-0.5 -0.990 12.7-157.6-114.3 130.6 -1.4 -18.0 9.2 87 86 A Y E -ac 11 111A 0 23,-3.7 25,-1.5 -2,-0.4 2,-0.4 -0.947 6.7-168.9-113.9 127.4 2.2 -18.8 8.1 88 87 A V E +a 12 0A 0 -77,-3.2 -75,-1.7 -2,-0.5 2,-0.3 -0.926 31.0 114.3-113.8 136.4 5.2 -17.2 9.8 89 88 A G - 0 0 0 -2,-0.4 25,-3.2 23,-0.3 2,-0.5 -0.923 59.2 -86.1-172.8-168.9 8.7 -17.5 8.2 90 89 A C E +m 114 0C 0 -77,-0.3 32,-0.4 -2,-0.3 2,-0.2 -0.946 43.8 155.3-130.9 115.0 11.4 -15.3 6.7 91 90 A I E -m 115 0C 0 23,-2.8 25,-2.3 -2,-0.5 2,-0.3 -0.499 37.3-113.4-111.4-173.7 11.7 -14.2 3.1 92 91 A A E -m 116 0C 5 23,-0.3 2,-0.6 -2,-0.2 5,-0.1 -0.904 26.8-114.1-117.8 156.0 13.4 -11.2 1.4 93 92 A D S S+ 0 0 102 23,-0.6 2,-0.1 -2,-0.3 22,-0.1 -0.060 81.2 115.5 -81.0 37.3 11.6 -8.4 -0.3 94 93 A D S > S- 0 0 52 -2,-0.6 4,-1.9 1,-0.0 3,-0.2 -0.331 87.9 -88.3 -93.3-178.0 13.2 -9.6 -3.6 95 94 A R H > S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.793 128.2 52.4 -67.5 -30.3 11.4 -10.9 -6.7 96 95 A Y H > S+ 0 0 26 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.837 110.1 50.4 -69.5 -35.2 11.5 -14.5 -5.4 97 96 A G H > S+ 0 0 0 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.859 107.7 51.5 -70.5 -39.6 9.9 -13.3 -2.1 98 97 A K H X S+ 0 0 111 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.951 110.5 47.6 -62.1 -52.4 7.0 -11.4 -3.8 99 98 A V H X S+ 0 0 58 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.879 115.2 48.0 -56.2 -41.0 6.0 -14.4 -5.9 100 99 A L H X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.968 117.3 38.8 -64.6 -57.2 6.2 -16.6 -2.7 101 100 A K H X S+ 0 0 54 -4,-2.9 4,-2.4 1,-0.2 3,-0.5 0.935 120.0 47.2 -57.7 -48.5 4.2 -14.3 -0.5 102 101 A E H X S+ 0 0 127 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.794 113.2 47.0 -68.9 -32.2 1.7 -13.3 -3.3 103 102 A A H < S+ 0 0 23 -4,-1.9 4,-0.2 -5,-0.3 -1,-0.2 0.611 114.4 48.0 -85.4 -14.6 1.1 -16.9 -4.4 104 103 A A H <>S+ 0 0 0 -4,-1.1 5,-2.0 -3,-0.5 4,-0.4 0.812 111.8 47.7 -91.0 -38.8 0.6 -18.2 -0.9 105 104 A E H ><5S+ 0 0 75 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.921 106.4 58.8 -63.8 -44.6 -1.8 -15.4 0.1 106 105 A H T 3<5S+ 0 0 153 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.749 102.6 53.7 -57.7 -27.9 -3.8 -15.9 -3.1 107 106 A E T 3 5S- 0 0 55 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.611 131.8 -94.3 -83.0 -14.1 -4.4 -19.6 -2.0 108 107 A G T < 5S+ 0 0 4 -3,-1.8 -26,-2.3 -4,-0.4 -24,-0.5 0.551 79.8 133.4 116.4 13.5 -5.8 -18.2 1.3 109 108 A I < - 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0 0 8 -5,-0.6 2,-0.4 -6,-0.3 -27,-0.2 0.118 53.0 -94.9 -73.5-168.7 -4.4 -24.3 21.9 192 191 A L E -d 164 0A 5 -29,-2.1 -27,-3.4 -3,-0.1 2,-0.6 -0.942 23.8-148.3-122.4 132.8 -2.5 -27.4 20.6 193 192 A F E -d 165 0A 1 -2,-0.4 25,-2.4 23,-0.3 26,-1.7 -0.888 18.9-178.3-106.4 119.6 1.2 -27.6 19.8 194 193 A M E -de 166 219A 0 -29,-3.8 -27,-2.5 -2,-0.6 2,-0.3 -0.937 5.5-169.5-118.9 133.8 2.2 -30.0 17.0 195 194 A I E -de 167 220A 4 24,-2.3 26,-2.3 -2,-0.4 2,-0.5 -0.898 14.4-149.9-114.6 152.4 5.7 -30.8 15.7 196 195 A N E -de 168 221A 10 -29,-1.9 -27,-1.0 -2,-0.3 26,-0.2 -0.994 15.8-143.3-110.5 125.9 6.8 -32.7 12.7 197 196 A L - 0 0 0 24,-2.7 2,-3.1 -2,-0.5 5,-0.3 0.710 31.4-173.4 -62.4 -19.1 10.2 -34.4 13.3 198 197 A S + 0 0 16 23,-0.4 -1,-0.2 4,-0.1 101,-0.1 -0.093 53.8 9.7 65.1 -42.2 10.8 -33.4 9.7 199 198 A A >> - 0 0 11 -2,-3.1 3,-1.6 1,-0.1 4,-0.7 -0.944 69.7-116.0-166.9 145.2 14.2 -35.3 9.2 200 199 A P H >> S+ 0 0 51 0, 0.0 4,-1.1 0, 0.0 3,-0.7 0.847 110.1 65.4 -52.7 -37.6 16.4 -37.8 11.0 201 200 A F H 3>>S+ 0 0 87 1,-0.2 4,-3.3 2,-0.2 5,-0.7 0.701 90.3 66.2 -64.4 -19.6 19.2 -35.2 11.4 202 201 A I H <>5S+ 0 0 0 -3,-1.6 4,-1.6 -5,-0.3 8,-0.3 0.943 105.4 42.2 -61.8 -49.1 17.0 -33.1 13.7 203 202 A M H <<5S+ 0 0 2 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.726 121.9 42.5 -69.1 -24.2 17.1 -35.9 16.3 204 203 A Q H <5S+ 0 0 114 -4,-1.1 -2,-0.2 2,-0.1 3,-0.2 0.904 130.2 18.1 -89.5 -47.0 20.8 -36.5 15.7 205 204 A F H <5S+ 0 0 144 -4,-3.3 -3,-0.2 1,-0.1 3,-0.2 0.667 132.3 38.2-103.3 -21.2 22.3 -32.9 15.5 206 205 A F S X S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.829 71.3 56.1 -62.4 -36.1 18.5 -33.0 19.9 208 207 A A H > S+ 0 0 67 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.924 109.1 46.4 -62.7 -45.4 19.0 -30.4 22.5 209 208 A Q H >> S+ 0 0 62 1,-0.2 3,-0.6 2,-0.2 4,-0.6 0.920 113.6 48.6 -62.4 -48.1 16.6 -27.9 20.7 210 209 A L H >X S+ 0 0 1 -4,-2.1 4,-1.8 -8,-0.3 3,-1.5 0.911 106.9 56.5 -56.4 -47.3 14.0 -30.7 20.2 211 210 A G H 3< S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.716 103.3 54.5 -61.3 -24.5 14.2 -31.7 23.9 212 211 A E H << S+ 0 0 121 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.649 114.5 40.9 -80.2 -18.2 13.4 -28.2 25.0 213 212 A V H XX S+ 0 0 0 -3,-1.5 3,-0.7 -4,-0.6 4,-0.6 0.636 95.9 79.5-104.9 -21.7 10.2 -28.2 22.9 214 213 A L G >< S+ 0 0 7 -4,-1.8 3,-1.4 1,-0.2 -2,-0.1 0.887 85.4 57.8 -58.9 -46.3 9.0 -31.8 23.6 215 214 A P G 34 S+ 0 0 28 0, 0.0 40,-1.9 0, 0.0 41,-0.7 0.836 112.7 43.9 -53.7 -31.2 7.4 -31.1 27.0 216 215 A Y G <4 S+ 0 0 78 -3,-0.7 2,-0.6 38,-0.2 -23,-0.3 0.547 92.4 103.9 -87.7 -11.4 5.2 -28.5 25.2 217 216 A T << + 0 0 0 -3,-1.4 -23,-0.2 -4,-0.6 39,-0.2 -0.645 40.3 175.7 -82.9 118.8 4.5 -30.8 22.2 218 217 A D S S+ 0 0 7 -25,-2.4 43,-2.9 -2,-0.6 2,-0.5 0.921 73.6 33.7 -82.1 -52.1 1.0 -32.4 22.3 219 218 A I E -ef 194 261A 1 -26,-1.7 -24,-2.3 41,-0.2 2,-0.6 -0.929 66.4-165.5-115.1 118.7 1.2 -34.1 18.9 220 219 A I E -ef 195 262A 0 41,-2.7 43,-3.1 -2,-0.5 2,-0.4 -0.889 11.5-172.0 -99.7 119.5 4.5 -35.6 17.5 221 220 A V E +ef 196 263A 2 -26,-2.3 -24,-2.7 -2,-0.6 -23,-0.4 -0.952 18.9 136.3-117.7 130.8 4.3 -36.5 13.8 222 221 A A E - f 0 264A 2 41,-2.4 43,-3.0 -2,-0.4 2,-0.2 -0.962 42.9-112.7-157.1 168.6 7.1 -38.3 11.9 223 222 A N E > - f 0 265A 44 -2,-0.3 4,-3.2 41,-0.2 5,-0.2 -0.503 49.5 -86.0 -98.4 178.3 7.8 -41.1 9.4 224 223 A R H > S+ 0 0 60 41,-0.8 4,-2.0 1,-0.2 5,-0.1 0.855 127.9 44.8 -51.2 -44.8 9.5 -44.4 10.0 225 224 A H H > S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.850 115.8 45.9 -74.4 -36.9 13.1 -43.0 9.5 226 225 A E H > S+ 0 0 13 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.877 113.3 51.7 -69.4 -40.0 12.4 -40.0 11.7 227 226 A A H X S+ 0 0 0 -4,-3.2 4,-1.5 38,-0.2 -2,-0.2 0.881 108.9 50.7 -61.8 -41.6 10.7 -42.2 14.3 228 227 A K H X S+ 0 0 59 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.892 108.8 48.9 -68.1 -42.3 13.7 -44.6 14.4 229 228 A E H X S+ 0 0 35 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.764 106.3 59.4 -69.7 -25.7 16.3 -41.8 14.9 230 229 A F H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.912 105.4 48.0 -63.5 -44.5 14.1 -40.5 17.7 231 230 A A H X>S+ 0 0 0 -4,-1.5 5,-3.2 2,-0.2 4,-0.8 0.848 110.7 51.9 -63.6 -35.6 14.5 -43.9 19.4 232 231 A N H <5S+ 0 0 64 -4,-1.6 3,-0.3 3,-0.2 -2,-0.2 0.885 109.5 49.1 -65.7 -40.8 18.3 -43.6 18.8 233 232 A M H <5S+ 0 0 44 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.9 43.2 -61.5 -43.0 18.2 -40.1 20.4 234 233 A M H <5S- 0 0 56 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.556 114.0-117.2 -79.5 -12.5 16.3 -41.6 23.3 235 234 A K T <5 + 0 0 184 -4,-0.8 2,-1.2 -3,-0.3 -3,-0.2 0.724 60.8 153.0 72.2 27.0 18.5 -44.7 23.5 236 235 A W < - 0 0 20 -5,-3.2 2,-2.2 -6,-0.2 -1,-0.2 -0.750 36.2-153.0 -84.9 95.3 15.5 -47.0 22.7 237 236 A D + 0 0 161 -2,-1.2 2,-0.3 -3,-0.1 -5,-0.1 -0.477 55.6 102.3 -73.4 79.4 17.3 -49.9 21.1 238 237 A T - 0 0 29 -2,-2.2 -7,-0.1 -10,-0.2 -2,-0.1 -0.982 54.5-161.4-156.9 148.2 14.3 -51.0 19.0 239 238 A D + 0 0 134 -2,-0.3 2,-0.9 -8,-0.0 3,-0.1 0.151 61.9 114.9-115.3 14.8 13.1 -50.8 15.3 240 239 A C > - 0 0 57 1,-0.2 4,-2.0 -12,-0.1 3,-0.2 -0.783 53.7-161.2 -83.3 103.7 9.5 -51.6 16.3 241 240 A V H > S+ 0 0 11 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.821 87.6 53.3 -61.0 -35.8 7.8 -48.3 15.3 242 241 A E H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 107.9 50.9 -66.0 -42.6 4.7 -49.0 17.4 243 242 A E H > S+ 0 0 44 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.916 110.0 50.2 -56.9 -46.7 7.0 -49.6 20.5 244 243 A I H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.895 109.3 52.6 -59.2 -42.2 8.7 -46.3 19.8 245 244 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.903 108.1 48.9 -61.6 -44.5 5.3 -44.6 19.5 246 245 A R H X S+ 0 0 104 -4,-2.2 4,-1.3 1,-0.2 3,-0.5 0.863 112.0 48.9 -66.6 -35.7 4.1 -45.9 22.9 247 246 A R H X S+ 0 0 68 -4,-1.9 4,-2.1 1,-0.2 5,-0.4 0.742 104.6 59.3 -75.1 -24.5 7.3 -44.8 24.6 248 247 A A H < S+ 0 0 0 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.681 104.8 53.5 -74.0 -18.4 7.0 -41.3 23.0 249 248 A V H < S+ 0 0 20 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.897 128.6 10.2 -79.3 -45.8 3.6 -41.1 24.8 250 249 A S H < S+ 0 0 88 -4,-1.3 -2,-0.2 25,-0.1 -3,-0.2 0.583 127.8 50.2-116.2 -14.6 4.7 -41.8 28.4 251 250 A E S < S+ 0 0 75 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.481 94.6 77.1-108.5 -6.0 8.6 -41.7 28.4 252 251 A V S S- 0 0 4 -5,-0.4 -1,-0.0 -4,-0.1 -41,-0.0 -0.938 99.1-100.7-100.1 125.0 9.0 -38.4 26.6 253 252 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.067 44.3 179.7 -46.8 137.7 8.3 -35.5 29.0 254 253 A Y + 0 0 59 -4,-0.1 -38,-0.2 -38,-0.1 6,-0.1 -0.849 20.9 168.4-149.8 108.1 4.9 -33.9 28.6 255 254 A T + 0 0 88 -40,-1.9 -39,-0.1 -2,-0.3 -1,-0.1 0.323 50.6 109.5-100.3 5.5 3.6 -30.9 30.7 256 255 A G - 0 0 15 -41,-0.7 4,-0.1 -39,-0.2 -2,-0.1 -0.132 58.2-148.8 -77.1 175.7 0.6 -30.3 28.5 257 256 A T S S+ 0 0 124 2,-0.1 -1,-0.1 -67,-0.0 3,-0.1 0.623 84.2 71.3-120.4 -24.8 -3.1 -30.9 29.3 258 257 A K S S- 0 0 106 -67,-0.2 -66,-0.0 1,-0.1 -40,-0.0 0.744 108.7-102.0 -67.4 -25.3 -4.7 -31.8 26.0 259 258 A G - 0 0 22 16,-0.0 2,-0.5 2,-0.0 -2,-0.1 0.175 30.6 -88.6 106.3 135.4 -3.0 -35.2 25.9 260 259 A R - 0 0 11 -11,-0.2 2,-0.4 -4,-0.1 -41,-0.2 -0.621 39.8-173.6 -81.2 122.0 0.1 -36.5 24.0 261 260 A V E -f 219 0A 8 -43,-2.9 -41,-2.7 -2,-0.5 2,-0.5 -0.926 7.2-161.9-113.3 140.0 -0.5 -38.0 20.6 262 261 A V E -fG 220 274A 0 12,-2.5 12,-2.3 -2,-0.4 2,-0.6 -0.963 5.4-172.5-125.1 114.3 2.2 -39.7 18.5 263 262 A V E +fG 221 273A 0 -43,-3.1 -41,-2.4 -2,-0.5 2,-0.5 -0.927 4.2 179.7-109.9 115.7 1.7 -40.2 14.8 264 263 A F E -fG 222 272A 1 8,-2.8 8,-3.0 -2,-0.6 -41,-0.2 -0.948 12.5-156.0-118.5 110.7 4.2 -42.3 12.9 265 264 A T E -f 223 0A 21 -43,-3.0 -41,-0.8 -2,-0.5 -38,-0.2 -0.558 5.4-167.0 -79.4 148.4 3.7 -42.8 9.2 266 265 A R E > - 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