==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-NOV-08 2ZVR . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN TM_0416; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR H.SAKURABA,T.OHSHIMA . 521 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 14.0 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 . 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 . 24 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 0 0 2 2 0 2 4 0 0 2 1 0 1 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 7 7 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 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 0 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 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 1 A M 0 0 63 0, 0.0 2,-0.3 0, 0.0 232,-0.2 0.000 360.0 360.0 360.0 125.2 13.1 -8.6 -11.2 2 2 A K E -a 233 0A 67 230,-2.7 232,-3.1 258,-0.0 2,-0.4 -0.877 360.0-134.6-120.5 150.2 9.4 -8.1 -11.2 3 3 A L E +a 234 0A 3 -2,-0.3 27,-2.3 230,-0.2 28,-1.1 -0.837 25.1 174.0-104.7 133.7 6.9 -5.9 -9.3 4 4 A S E -ab 235 31A 0 230,-2.4 232,-2.8 -2,-0.4 2,-0.4 -0.901 22.0-133.7-132.4 162.6 3.7 -7.2 -7.8 5 5 A L E -ab 236 32A 13 26,-1.7 28,-2.7 -2,-0.3 2,-0.5 -0.967 11.3-138.1-122.1 131.4 1.0 -5.7 -5.6 6 6 A V E - b 0 33A 31 230,-2.5 2,-0.4 -2,-0.4 232,-0.2 -0.754 25.2-161.3 -85.1 128.7 -0.6 -7.4 -2.6 7 7 A I E - b 0 34A 6 26,-2.7 28,-0.5 -2,-0.5 2,-0.4 -0.943 10.9-135.2-116.7 134.3 -4.4 -6.7 -2.6 8 8 A S - 0 0 93 -2,-0.4 2,-0.3 26,-0.1 12,-0.1 -0.697 25.5-176.2 -88.0 135.0 -6.7 -7.0 0.4 9 9 A T - 0 0 27 26,-0.4 5,-0.1 -2,-0.4 26,-0.0 -0.950 27.1-107.6-130.4 150.9 -10.0 -8.8 -0.2 10 10 A S 0 0 72 -2,-0.3 7,-0.1 3,-0.1 -1,-0.0 -0.202 360.0 360.0 -68.0 166.6 -13.0 -9.4 2.1 11 11 A D 0 0 111 25,-0.1 -1,-0.1 26,-0.0 27,-0.0 0.905 360.0 360.0 -88.0 360.0 -13.7 -13.0 3.4 12 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 19 A F > 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -54.4 -14.5 -11.0 -2.2 14 20 A K H > + 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 360.0 53.0 -52.9 -40.2 -15.0 -10.9 -6.0 15 21 A G H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.961 111.5 43.0 -61.6 -52.7 -15.6 -7.2 -5.8 16 22 A D H > S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.880 114.6 51.8 -61.4 -39.6 -12.4 -6.4 -3.9 17 23 A L H X S+ 0 0 4 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.953 109.9 47.7 -62.4 -51.9 -10.4 -8.8 -6.1 18 24 A R H X S+ 0 0 110 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.951 115.3 45.3 -53.2 -55.0 -11.6 -7.2 -9.3 19 25 A K H X S+ 0 0 117 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.926 114.6 48.8 -55.5 -49.4 -10.9 -3.7 -8.0 20 26 A G H X S+ 0 0 2 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.921 113.5 44.9 -59.4 -47.2 -7.5 -4.7 -6.7 21 27 A M H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.898 113.6 50.0 -66.4 -38.9 -6.4 -6.4 -9.8 22 28 A E H X S+ 0 0 95 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.858 111.0 50.3 -67.2 -34.1 -7.6 -3.6 -12.0 23 29 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.940 110.3 49.4 -66.8 -46.6 -5.8 -1.1 -9.8 24 30 A A H X>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-1.8 0.889 113.4 46.7 -58.8 -42.0 -2.6 -3.1 -10.1 25 31 A K H <5S+ 0 0 85 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.955 111.7 50.5 -64.7 -51.1 -3.0 -3.3 -13.9 26 32 A R H <5S+ 0 0 141 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.874 112.3 46.8 -55.1 -42.9 -3.7 0.4 -14.2 27 33 A V H <5S- 0 0 24 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.856 120.5-105.4 -71.1 -35.6 -0.7 1.4 -12.1 28 34 A G T <5 + 0 0 35 -4,-1.8 -3,-0.2 -5,-0.2 -25,-0.2 0.483 61.6 153.9 124.3 4.2 1.7 -0.9 -13.9 29 35 A Y < - 0 0 6 -5,-2.1 -1,-0.2 -6,-0.2 -25,-0.2 -0.329 38.1-145.2 -63.2 146.8 2.3 -3.9 -11.6 30 36 A Q S S+ 0 0 93 -27,-2.3 2,-0.3 1,-0.1 -26,-0.2 0.696 76.1 6.4 -87.1 -21.6 3.3 -7.1 -13.4 31 37 A A E -b 4 0A 0 -28,-1.1 -26,-1.7 25,-0.2 2,-0.3 -0.944 65.8-130.9-152.2 172.2 1.5 -9.4 -11.0 32 38 A V E -bc 5 58A 0 25,-2.2 27,-2.2 -2,-0.3 28,-0.6 -0.906 8.2-149.8-129.6 157.2 -0.8 -9.5 -8.0 33 39 A E E -bc 6 60A 6 -28,-2.7 -26,-2.7 -2,-0.3 2,-0.3 -0.997 16.3-166.0-128.1 130.3 -0.6 -11.2 -4.6 34 40 A I E -bc 7 61A 0 26,-1.7 28,-3.1 -2,-0.4 2,-0.4 -0.763 10.2-151.1-115.6 163.7 -3.7 -12.2 -2.7 35 41 A A E + c 0 62A 46 -28,-0.5 -26,-0.4 -2,-0.3 2,-0.4 -0.980 17.8 176.1-136.2 121.6 -4.5 -13.4 0.8 36 42 A V - 0 0 10 26,-1.7 30,-0.3 -2,-0.4 29,-0.1 -0.982 26.9-153.1-130.9 140.1 -7.3 -15.7 1.8 37 43 A R S S+ 0 0 44 -2,-0.4 -1,-0.2 1,-0.3 29,-0.1 0.980 92.8 6.9 -68.9 -59.9 -8.4 -17.3 5.0 38 44 A D > - 0 0 22 1,-0.1 3,-0.9 27,-0.0 -1,-0.3 -0.952 62.7-168.6-130.8 110.7 -10.2 -20.3 3.5 39 45 A P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.720 74.5 81.4 -70.1 -23.4 -9.9 -20.9 -0.2 40 46 A S G 3 S+ 0 0 77 1,-0.3 48,-0.0 48,-0.1 52,-0.0 0.639 90.1 53.5 -60.9 -14.4 -12.6 -23.6 -0.4 41 47 A I G < S+ 0 0 99 -3,-0.9 2,-0.3 2,-0.0 -1,-0.3 0.577 94.8 84.0 -96.3 -10.2 -15.3 -21.0 -0.5 42 48 A V S < S- 0 0 24 -3,-1.7 2,-1.1 -4,-0.2 3,-0.1 -0.717 77.4-129.7 -96.5 143.1 -13.9 -19.0 -3.4 43 49 A D > - 0 0 63 -2,-0.3 4,-1.2 1,-0.2 3,-0.5 -0.781 25.7-178.7 -91.3 98.0 -14.5 -19.8 -7.1 44 50 A W H > S+ 0 0 16 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.665 73.0 71.1 -72.6 -18.2 -11.0 -19.8 -8.4 45 51 A N H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 101.6 45.1 -64.8 -41.4 -12.1 -20.6 -12.0 46 52 A E H > S+ 0 0 77 -3,-0.5 4,-3.4 1,-0.2 5,-0.2 0.917 110.6 55.8 -65.6 -41.7 -13.6 -17.0 -12.2 47 53 A V H X S+ 0 0 5 -4,-1.2 4,-2.9 1,-0.2 -2,-0.2 0.901 108.1 47.1 -56.1 -43.9 -10.4 -15.8 -10.6 48 54 A K H X S+ 0 0 92 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.915 111.8 50.5 -65.3 -43.2 -8.3 -17.4 -13.4 49 55 A I H X S+ 0 0 97 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.962 112.2 47.3 -57.7 -52.2 -10.6 -16.0 -16.0 50 56 A L H X S+ 0 0 10 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.939 113.4 49.0 -53.9 -49.8 -10.3 -12.6 -14.5 51 57 A S H X>S+ 0 0 13 -4,-2.9 5,-2.0 1,-0.2 4,-0.8 0.934 112.8 45.9 -55.7 -51.7 -6.5 -13.0 -14.4 52 58 A E H ><5S+ 0 0 115 -4,-3.4 3,-0.7 1,-0.2 -1,-0.2 0.904 109.5 58.1 -58.8 -40.9 -6.3 -14.2 -18.0 53 59 A E H 3<5S+ 0 0 126 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.881 115.1 33.5 -56.4 -44.7 -8.6 -11.3 -18.9 54 60 A L H 3<5S- 0 0 28 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.411 103.7-126.0 -94.8 1.4 -6.2 -8.6 -17.5 55 61 A N T <<5 + 0 0 127 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.922 66.6 138.0 52.6 44.0 -3.1 -10.6 -18.4 56 62 A L < - 0 0 2 -5,-2.0 -1,-0.2 -6,-0.2 -25,-0.2 -0.907 42.9-149.8-126.4 102.1 -2.1 -10.2 -14.7 57 63 A P - 0 0 57 0, 0.0 -25,-2.2 0, 0.0 2,-0.6 -0.106 14.3-125.0 -64.2 165.2 -0.6 -13.3 -13.0 58 64 A I E -c 32 0A 3 41,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.964 24.5-174.1-114.3 109.8 -1.0 -14.1 -9.3 59 65 A C E + 0 0 9 -27,-2.2 43,-2.3 -2,-0.6 2,-0.3 0.840 60.2 5.5 -77.5 -33.9 2.5 -14.5 -7.8 60 66 A A E -cd 33 102A 0 -28,-0.6 -26,-1.7 41,-0.3 2,-0.5 -0.990 56.0-137.6-151.8 158.8 1.7 -15.7 -4.3 61 67 A I E -cd 34 103A 0 41,-2.7 43,-2.4 -2,-0.3 -26,-0.2 -0.975 21.2-142.5-121.9 123.7 -1.1 -16.7 -1.9 62 68 A G E +c 35 0A 9 -28,-3.1 -26,-1.7 -2,-0.5 43,-0.1 -0.546 18.1 179.6 -85.2 149.9 -1.2 -15.5 1.7 63 69 A T > + 0 0 1 41,-0.3 3,-1.4 -2,-0.2 4,-0.5 0.284 46.3 113.3-130.5 6.6 -2.4 -17.7 4.5 64 70 A G T >> S+ 0 0 26 1,-0.3 4,-2.2 2,-0.2 3,-1.2 0.795 72.5 58.9 -51.8 -38.3 -2.0 -15.5 7.6 65 71 A Q H 3>>S+ 0 0 94 1,-0.3 4,-3.2 2,-0.2 5,-1.1 0.759 88.3 72.2 -67.2 -25.1 -5.8 -15.2 8.3 66 72 A A H <45S+ 0 0 0 -3,-1.4 6,-2.6 -30,-0.3 -1,-0.3 0.796 112.0 33.0 -59.1 -24.6 -6.1 -19.0 8.7 67 73 A Y H <>5S+ 0 0 30 -3,-1.2 4,-1.5 -4,-0.5 -2,-0.2 0.880 120.6 45.9 -93.8 -55.2 -4.2 -18.3 11.9 68 74 A L H <5S+ 0 0 99 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.857 129.3 26.3 -59.3 -36.6 -5.5 -14.9 12.9 69 75 A A T <5S+ 0 0 52 -4,-3.2 -3,-0.2 -5,-0.2 -1,-0.1 0.918 135.5 24.4 -93.6 -54.4 -9.1 -15.9 12.2 70 76 A D T 4 - 0 0 6 -2,-0.4 3,-1.2 8,-0.2 12,-0.3 -0.998 37.7-143.6-138.3 139.5 -1.3 -23.4 13.4 74 80 A L T 3 S+ 0 0 0 34,-2.3 53,-0.3 -2,-0.4 35,-0.2 0.490 110.6 38.9 -75.6 -3.5 1.4 -25.7 11.9 75 81 A T T 3 S+ 0 0 0 33,-0.2 -1,-0.3 52,-0.1 49,-0.1 0.086 81.4 146.1-129.4 17.7 2.9 -26.0 15.4 76 82 A H < - 0 0 51 -3,-1.2 6,-0.2 1,-0.2 7,-0.0 -0.355 51.4-135.6 -58.7 131.9 -0.4 -26.1 17.4 77 83 A P S S+ 0 0 75 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.849 89.5 82.2 -59.2 -32.5 0.1 -28.4 20.4 78 84 A N S > S- 0 0 63 1,-0.2 4,-2.5 2,-0.1 3,-0.4 -0.653 72.6-155.2 -78.1 112.0 -3.3 -29.9 19.7 79 85 A D H > S+ 0 0 100 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.822 90.6 53.6 -57.5 -37.8 -2.7 -32.5 17.0 80 86 A E H > S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.861 112.7 45.3 -67.8 -33.7 -6.2 -32.5 15.6 81 87 A I H > S+ 0 0 40 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.895 112.3 50.6 -74.5 -40.6 -6.0 -28.7 15.1 82 88 A R H X S+ 0 0 27 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.870 107.9 53.9 -64.7 -36.6 -2.5 -29.0 13.6 83 89 A K H X S+ 0 0 133 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.913 109.5 47.8 -63.9 -41.5 -3.8 -31.6 11.2 84 90 A K H X S+ 0 0 117 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.845 108.3 55.1 -67.2 -34.4 -6.5 -29.2 10.1 85 91 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -12,-0.3 -2,-0.2 0.939 109.7 46.9 -62.7 -45.2 -4.0 -26.4 9.7 86 92 A I H X S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.887 112.1 49.6 -62.8 -41.3 -2.0 -28.7 7.4 87 93 A E H X S+ 0 0 78 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.853 109.5 52.0 -68.5 -34.5 -5.1 -29.6 5.4 88 94 A R H X S+ 0 0 39 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.927 110.1 48.1 -66.5 -44.5 -6.1 -25.9 5.1 89 95 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.833 105.0 60.5 -65.1 -32.3 -2.6 -25.1 3.7 90 96 A V H X S+ 0 0 25 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.921 103.8 49.8 -60.6 -42.5 -2.9 -28.0 1.3 91 97 A K H X S+ 0 0 82 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.858 105.8 57.0 -64.6 -33.4 -6.0 -26.3 -0.2 92 98 A H H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.863 104.9 52.6 -63.1 -36.1 -4.0 -23.1 -0.4 93 99 A T H X S+ 0 0 11 -4,-1.7 4,-2.4 -3,-0.2 -1,-0.2 0.825 103.3 56.1 -70.0 -32.7 -1.4 -25.0 -2.6 94 100 A E H X S+ 0 0 125 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.901 110.0 46.3 -65.9 -39.3 -4.1 -26.2 -4.9 95 101 A V H >X S+ 0 0 5 -4,-1.6 3,-0.8 1,-0.2 4,-0.7 0.936 112.7 49.8 -66.1 -45.1 -5.1 -22.6 -5.5 96 102 A A H >X>S+ 0 0 2 -4,-2.3 5,-2.6 1,-0.2 4,-1.2 0.841 104.3 59.9 -62.0 -33.8 -1.4 -21.7 -6.0 97 103 A G H 3<5S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.771 96.4 60.3 -66.3 -27.2 -1.1 -24.6 -8.4 98 104 A M H <<5S+ 0 0 78 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.787 120.2 26.8 -69.3 -27.5 -3.7 -23.1 -10.7 99 105 A F H <<5S- 0 0 37 -4,-0.7 -41,-0.3 -3,-0.7 -2,-0.2 0.399 105.8-116.1-115.6 -0.5 -1.5 -20.0 -11.1 100 106 A G T <5 + 0 0 71 -4,-1.2 -3,-0.2 1,-0.2 2,-0.1 0.862 66.0 153.9 65.8 33.8 2.0 -21.4 -10.5 101 107 A A < - 0 0 9 -5,-2.6 38,-0.5 -6,-0.2 2,-0.3 -0.436 46.1-108.0 -94.2 169.2 2.1 -19.2 -7.4 102 108 A L E -d 60 0A 26 -43,-2.3 -41,-2.7 -2,-0.1 2,-0.6 -0.692 24.4-131.2 -94.5 147.1 4.1 -19.4 -4.1 103 109 A V E -de 61 140A 0 36,-2.8 38,-2.4 -2,-0.3 2,-0.4 -0.882 21.5-136.6-100.9 124.5 2.4 -20.3 -0.8 104 110 A I E - e 0 141A 8 -43,-2.4 2,-0.8 -2,-0.6 -41,-0.3 -0.666 11.5-162.7 -85.3 128.8 3.4 -18.0 2.0 105 111 A I E + e 0 142A 0 36,-3.4 38,-2.0 -2,-0.4 69,-0.1 -0.794 40.4 131.3-109.9 85.6 4.1 -19.5 5.4 106 112 A G S > S- 0 0 5 -2,-0.8 3,-1.9 36,-0.2 4,-0.2 0.462 77.2 -11.5-100.5-118.6 3.9 -16.5 7.7 107 113 A L G > S+ 0 0 19 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.674 117.8 82.4 -60.4 -18.8 1.9 -16.4 11.0 108 114 A V G 3 S+ 0 0 1 1,-0.3 -34,-2.3 -4,-0.1 -1,-0.3 0.679 76.4 71.5 -62.4 -15.8 0.3 -19.7 10.1 109 115 A R G < S- 0 0 1 -3,-1.9 -1,-0.3 -36,-0.2 -2,-0.2 0.735 100.5-139.7 -73.1 -20.2 3.4 -21.5 11.4 110 116 A G < - 0 0 2 -3,-2.0 2,-0.2 -4,-0.2 -1,-0.2 -0.124 10.9 -82.6 88.5 173.2 2.3 -20.6 14.9 111 117 A R - 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0 0 12 -4,-1.5 -45,-0.0 -5,-0.2 -41,-0.0 -0.925 62.6-163.0-122.9 148.8 1.7 -31.9 -2.3 136 142 A E S S+ 0 0 155 -2,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.868 84.9 12.9 -97.3 -45.0 3.9 -32.7 -5.3 137 143 A H S S+ 0 0 163 2,-0.0 -5,-0.0 -44,-0.0 -2,-0.0 0.582 87.7 125.3-111.6 -14.8 4.8 -29.4 -6.9 138 144 A A - 0 0 18 -7,-0.1 2,-0.4 1,-0.1 -36,-0.1 -0.084 45.8-150.6 -49.0 143.4 3.8 -26.7 -4.4 139 145 A K - 0 0 87 -38,-0.5 -36,-2.8 -46,-0.1 2,-0.3 -0.982 9.0-159.2-122.8 130.7 6.5 -24.3 -3.3 140 146 A F E -ef 103 171A 0 30,-3.2 32,-3.0 -2,-0.4 2,-0.5 -0.818 6.0-157.4-112.2 149.3 6.5 -22.6 0.1 141 147 A V E -ef 104 172A 0 -38,-2.4 -36,-3.4 -2,-0.3 2,-0.5 -0.980 11.4-145.9-128.5 120.2 8.1 -19.4 1.4 142 148 A I E -ef 105 173A 0 30,-2.9 32,-2.7 -2,-0.5 -36,-0.2 -0.726 13.2-153.8 -85.6 126.1 8.9 -18.9 5.1 143 149 A E - 0 0 16 -38,-2.0 2,-0.2 -2,-0.5 32,-0.2 -0.876 7.7-141.3-107.4 111.5 8.6 -15.3 6.2 144 150 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 32,-0.3 -0.508 25.8-163.1 -67.4 134.6 10.6 -14.2 9.2 145 151 A L - 0 0 5 8,-1.7 5,-0.1 7,-0.2 7,-0.0 -0.858 22.4 -92.6-120.0 155.9 8.4 -11.8 11.3 146 152 A N >> - 0 0 0 -2,-0.3 3,-1.7 1,-0.1 4,-1.3 -0.180 41.8-100.3 -67.3 161.1 9.4 -9.3 14.0 147 153 A R T 34 S+ 0 0 67 1,-0.3 -1,-0.1 2,-0.2 7,-0.0 0.698 118.0 61.4 -50.7 -29.7 9.3 -10.2 17.7 148 154 A Y T 34 S+ 0 0 65 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.780 109.6 40.9 -74.1 -24.6 6.0 -8.5 18.3 149 155 A E T <4 S- 0 0 37 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.703 129.5 -6.4 -95.5 -20.4 4.2 -10.9 15.9 150 156 A T < - 0 0 7 -4,-1.3 -1,-0.3 -5,-0.1 -39,-0.1 -0.989 38.4-146.6-168.9 159.1 6.0 -14.1 16.9 151 157 A D S S+ 0 0 65 -2,-0.3 2,-0.5 -3,-0.1 3,-0.2 0.103 84.5 82.2-115.2 16.1 8.7 -15.7 18.9 152 158 A F S S- 0 0 0 1,-0.2 -7,-0.2 -42,-0.1 -1,-0.1 -0.928 103.3 -5.8-130.3 108.3 9.3 -18.3 16.3 153 159 A I + 0 0 0 -2,-0.5 -8,-1.7 -9,-0.1 -1,-0.2 0.986 67.2 161.4 73.3 78.8 11.5 -17.5 13.3 154 160 A N + 0 0 30 -10,-0.3 2,-0.3 -3,-0.2 29,-0.1 0.636 56.4 45.6 -98.6 -19.7 12.3 -13.8 13.6 155 161 A T S > S- 0 0 29 1,-0.1 4,-2.0 -9,-0.1 3,-0.2 -0.850 78.2-117.3-128.6 162.5 15.4 -13.6 11.3 156 162 A I H > S+ 0 0 1 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.894 117.4 54.8 -61.7 -39.7 16.6 -14.7 7.9 157 163 A D H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.853 105.3 53.3 -63.4 -33.5 19.4 -16.7 9.6 158 164 A D H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 110.8 47.1 -63.8 -46.3 16.7 -18.5 11.7 159 165 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.932 109.2 53.0 -61.9 -46.9 14.9 -19.4 8.5 160 166 A L H X S+ 0 0 11 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.903 107.5 51.9 -56.2 -43.8 18.1 -20.6 6.7 161 167 A R H X S+ 0 0 85 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.883 112.5 45.5 -61.7 -38.8 18.9 -22.9 9.6 162 168 A I H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 3,-0.3 0.865 107.5 57.6 -74.3 -33.7 15.4 -24.4 9.4 163 169 A L H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 5,-0.5 0.880 103.0 54.9 -62.3 -36.8 15.6 -24.7 5.6 164 170 A R H < S+ 0 0 155 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.4 48.5 -65.4 -31.4 18.7 -26.8 6.0 165 171 A K H < S+ 0 0 90 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.794 112.8 46.4 -77.9 -30.6 16.7 -29.2 8.3 166 172 A I H < S- 0 0 4 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.851 91.6-163.0 -77.1 -35.6 13.8 -29.4 5.9 167 173 A N < + 0 0 141 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.1 0.929 39.7 119.6 52.8 59.3 16.3 -30.0 3.1 168 174 A S > - 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