==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-APR-13 4K3Z . COMPND 2 MOLECULE: D-ERYTHRULOSE 4-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BV. 1; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 616 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 23 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 0 3 0 2 0 0 2 2 2 1 1 0 0 0 2 0 1 1 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 5 4 4 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 1 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 0 119 0, 0.0 266,-0.2 0, 0.0 265,-0.1 0.000 360.0 360.0 360.0 148.9 -6.2 32.6 63.1 2 2 A A + 0 0 65 264,-3.9 264,-0.1 299,-0.0 299,-0.1 -0.467 360.0 167.3-122.1 59.0 -4.4 30.8 60.3 3 3 A L - 0 0 18 262,-0.1 299,-0.4 264,-0.1 2,-0.3 -0.315 20.3-151.3 -66.6 153.3 -1.0 32.3 60.8 4 4 A T E -a 269 0A 41 264,-1.8 266,-3.1 297,-0.1 2,-0.4 -0.775 7.9-130.7-121.4 170.6 2.0 30.8 59.0 5 5 A L E +a 270 0A 1 297,-0.5 29,-0.7 -2,-0.3 2,-0.3 -0.964 27.3 166.9-127.6 136.0 5.6 30.8 60.0 6 6 A S E -ab 271 34A 0 264,-2.6 266,-3.0 -2,-0.4 2,-0.4 -0.913 25.6-130.2-140.3 171.7 8.7 31.7 58.0 7 7 A L E -ab 272 35A 0 27,-1.4 29,-2.1 -2,-0.3 2,-0.4 -0.992 14.7-135.6-128.3 126.5 12.4 32.5 58.4 8 8 A N E - b 0 36A 2 264,-2.2 266,-0.3 -2,-0.4 29,-0.2 -0.654 20.5-137.8 -69.4 129.4 14.3 35.4 57.0 9 9 A T >> + 0 0 0 27,-2.1 3,-1.9 -2,-0.4 4,-0.7 0.364 69.6 114.7 -79.8 3.7 17.5 34.0 55.6 10 10 A N G >4 S+ 0 0 40 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.863 78.0 46.9 -34.8 -56.9 19.8 36.9 57.0 11 11 A P G 34 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.638 107.1 59.4 -72.6 -10.0 21.7 34.6 59.3 12 12 A L G <> S+ 0 0 3 -3,-1.9 4,-1.3 -4,-0.1 -2,-0.2 0.538 80.2 109.6 -89.9 -8.3 22.2 31.9 56.6 13 13 A V B << S+i 16 0B 6 -3,-1.2 2,-2.0 -4,-0.7 4,-0.1 -0.386 89.3 4.8 -67.7 145.1 24.1 34.4 54.2 14 14 A N T 4 S+ 0 0 123 2,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.264 123.7 69.9 75.0 -48.6 27.8 33.7 53.8 15 15 A R T 4 S+ 0 0 63 -2,-2.0 2,-0.3 -4,-0.2 -2,-0.2 0.685 112.2 26.1 -68.7 -26.5 27.5 30.5 55.9 16 16 A F B < +i 13 0B 28 -4,-1.3 -2,-0.6 1,-0.1 -1,-0.1 -0.969 60.1 153.1-133.2 148.9 25.5 29.0 53.0 17 17 A A + 0 0 71 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.494 50.3 82.8-143.0 -37.4 25.7 29.8 49.3 18 18 A E S > S- 0 0 137 1,-0.1 4,-2.6 4,-0.0 -1,-0.2 -0.644 73.8-132.5 -79.7 133.3 24.7 26.8 47.1 19 19 A P H > S+ 0 0 10 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.880 104.2 49.8 -56.3 -40.6 21.0 26.4 46.7 20 20 A D H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.915 112.5 47.9 -62.0 -46.6 20.9 22.7 47.5 21 21 A D H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 115.9 44.7 -59.6 -46.0 22.9 23.2 50.7 22 22 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.975 118.6 39.7 -63.0 -55.2 20.7 26.0 51.8 23 23 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.869 114.1 52.1 -73.0 -38.1 17.4 24.5 51.1 24 24 A E H X S+ 0 0 62 -4,-2.7 4,-2.7 -5,-0.3 5,-0.3 0.868 110.2 50.3 -63.8 -35.4 18.2 21.0 52.3 25 25 A T H X>S+ 0 0 20 -4,-1.6 4,-2.4 -5,-0.3 5,-1.4 0.908 109.5 50.9 -67.4 -42.3 19.5 22.4 55.6 26 26 A V H X>S+ 0 0 0 -4,-2.0 5,-1.2 3,-0.2 6,-1.0 0.954 116.6 40.8 -58.1 -52.1 16.3 24.4 56.1 27 27 A A H <5S+ 0 0 0 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.903 125.8 32.0 -61.6 -49.7 14.2 21.2 55.4 28 28 A R H <5S+ 0 0 137 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.893 132.0 26.4 -77.9 -44.6 16.3 18.7 57.4 29 29 A D H <5S+ 0 0 86 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.803 129.3 35.0 -99.3 -32.7 17.7 20.7 60.2 30 30 A L T < - c 0 73A 1 -2,-0.3 3,-0.9 34,-0.2 4,-0.4 -0.503 22.3-110.7 -87.1 165.1 17.4 37.5 50.9 39 39 A H G > S+ 0 0 10 34,-1.0 3,-0.6 1,-0.2 35,-0.1 0.730 101.0 77.8 -69.4 -24.3 19.1 38.9 47.8 40 40 A E G 3 S+ 0 0 28 1,-0.2 3,-0.4 3,-0.1 -1,-0.2 0.748 87.3 58.9 -63.5 -25.3 22.6 37.6 48.4 41 41 A F G < S+ 0 0 10 -3,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.874 126.2 13.8 -74.7 -38.3 21.8 34.0 47.3 42 42 A I S < S- 0 0 1 -3,-0.6 -1,-0.3 -4,-0.4 62,-0.1 -0.808 90.1-154.9-133.6 90.0 20.7 35.0 43.8 43 43 A N > - 0 0 25 -3,-0.4 3,-2.1 -2,-0.3 -3,-0.1 -0.574 16.3-145.2 -78.2 124.3 21.9 38.6 43.3 44 44 A P T 3 S+ 0 0 11 0, 0.0 315,-0.2 0, 0.0 -1,-0.1 0.662 98.8 65.8 -56.8 -17.8 20.0 40.8 40.8 45 45 A S T 3 S+ 0 0 57 2,-0.0 3,-0.1 6,-0.0 -2,-0.0 0.663 85.4 94.9 -72.9 -21.1 23.4 42.4 40.1 46 46 A W S < S- 0 0 100 -3,-2.1 5,-0.0 1,-0.2 -4,-0.0 -0.110 93.7 -67.1 -73.0 172.9 24.9 39.2 38.6 47 47 A Q > - 0 0 97 1,-0.1 4,-2.4 4,-0.1 3,-0.4 -0.261 47.5-120.3 -59.7 140.6 25.1 38.2 34.9 48 48 A A H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.863 112.9 49.9 -50.5 -42.2 21.6 37.5 33.6 49 49 A S H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.829 107.7 53.0 -69.8 -37.1 22.5 33.9 32.7 50 50 A T H > S+ 0 0 22 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.924 108.4 51.3 -60.9 -48.2 23.9 33.2 36.2 51 51 A I H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 111.8 46.4 -52.6 -50.5 20.7 34.4 37.7 52 52 A R H X S+ 0 0 31 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.937 113.2 48.9 -59.4 -47.8 18.6 32.1 35.5 53 53 A R H X S+ 0 0 101 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.909 114.8 43.9 -59.9 -46.4 20.9 29.1 36.2 54 54 A L H X S+ 0 0 27 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.821 110.8 54.7 -71.3 -29.8 20.8 29.6 40.0 55 55 A T H X S+ 0 0 6 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.905 108.8 48.6 -68.2 -40.8 17.1 30.3 40.0 56 56 A R H X S+ 0 0 50 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.933 112.5 48.9 -62.0 -46.7 16.5 26.9 38.2 57 57 A D H X S+ 0 0 42 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.908 113.8 46.2 -55.2 -45.6 18.8 25.2 40.8 58 58 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.903 111.1 51.5 -68.1 -41.7 16.9 26.9 43.6 59 59 A D H X S+ 0 0 62 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.894 108.6 51.9 -65.1 -40.0 13.5 26.0 42.2 60 60 A R H X S+ 0 0 136 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.919 109.5 50.0 -59.4 -42.4 14.6 22.3 41.8 61 61 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 6,-0.3 0.883 110.2 49.7 -67.7 -37.8 15.6 22.2 45.4 62 62 A L H X S+ 0 0 9 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.949 113.1 46.5 -62.2 -47.3 12.3 23.8 46.6 63 63 A Q H < S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 114.4 47.4 -62.6 -42.9 10.3 21.2 44.6 64 64 A R H < S+ 0 0 88 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.845 121.8 34.3 -64.9 -37.0 12.4 18.3 45.8 65 65 A T H < S- 0 0 0 -4,-1.9 244,-2.2 -5,-0.2 245,-0.8 0.627 98.9-121.8 -98.9 -20.6 12.3 19.3 49.5 66 66 A G < + 0 0 12 -4,-2.3 -3,-0.1 1,-0.3 -4,-0.1 0.325 66.1 137.0 87.6 -6.9 8.9 20.9 50.0 67 67 A V - 0 0 3 -6,-0.3 2,-0.4 -5,-0.3 -1,-0.3 -0.353 39.3-152.0 -67.6 151.7 10.4 24.2 51.2 68 68 A R E -c 34 0A 116 -35,-2.9 -33,-1.9 -3,-0.1 2,-0.6 -0.982 16.8-143.7-132.2 142.7 8.9 27.4 49.8 69 69 A V E +c 35 0A 2 39,-0.5 -33,-0.2 -2,-0.4 3,-0.1 -0.944 23.0 173.2 -99.5 113.9 10.0 30.9 49.1 70 70 A T E - 0 0 31 -35,-2.4 41,-2.3 -2,-0.6 42,-0.3 0.610 61.7 -6.1-100.0 -15.1 7.1 33.2 50.0 71 71 A S E -c 36 0A 0 -36,-1.0 -34,-2.3 39,-0.2 2,-0.4 -0.979 59.7-123.7-164.9 167.4 8.9 36.5 49.5 72 72 A G E +cd 37 113A 0 40,-2.2 42,-1.4 -2,-0.3 2,-0.3 -0.963 26.3 173.9-121.0 143.9 12.2 38.3 48.9 73 73 A M E -cd 38 114A 6 -36,-2.2 -34,-1.0 -2,-0.4 2,-0.2 -0.974 40.7 -93.9-141.8 153.7 13.8 40.9 51.0 74 74 A T - 0 0 6 40,-1.0 -64,-0.1 -2,-0.3 -36,-0.1 -0.526 46.5-139.3 -67.0 130.6 17.1 42.8 51.0 75 75 A G > - 0 0 5 -2,-0.2 3,-1.8 -66,-0.1 -1,-0.1 0.046 39.2 -73.0 -75.9-167.0 19.6 40.9 53.2 76 76 A P G > S+ 0 0 55 0, 0.0 3,-0.6 0, 0.0 -2,-0.1 0.779 134.5 52.6 -62.4 -27.1 22.1 42.4 55.7 77 77 A Y G 3 S+ 0 0 123 1,-0.2 -3,-0.0 3,-0.0 -2,-0.0 0.225 100.2 64.6 -97.6 16.8 24.3 43.5 52.7 78 78 A G G < + 0 0 2 -3,-1.8 2,-1.5 2,-0.1 -1,-0.2 0.128 60.1 119.3-120.9 21.3 21.4 45.4 51.0 79 79 A R < + 0 0 129 -3,-0.6 2,-0.2 36,-0.1 -1,-0.0 -0.577 48.4 135.2 -89.6 76.9 20.6 48.1 53.6 80 80 A L S S- 0 0 72 -2,-1.5 3,-0.2 36,-0.1 36,-0.1 -0.569 73.3 -96.6-120.7 175.2 21.3 51.0 51.2 81 81 A N > + 0 0 47 1,-0.2 3,-2.2 -2,-0.2 38,-1.7 0.928 63.2 156.7 -59.6 -47.4 19.9 54.5 50.2 82 82 A H G > S+ 0 0 4 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 -0.351 72.4 9.1 59.3-118.3 18.3 52.7 47.2 83 83 A F G 3 S+ 0 0 0 1,-0.3 -1,-0.3 34,-0.2 58,-0.1 0.591 130.8 59.3 -75.4 -5.5 15.3 54.9 46.1 84 84 A G G < S+ 0 0 0 -3,-2.2 37,-0.4 35,-0.2 -1,-0.3 0.346 74.9 120.8 -95.3 2.6 16.5 57.6 48.4 85 85 A H < - 0 0 53 -3,-2.1 6,-0.1 1,-0.1 35,-0.1 -0.499 63.8-140.0 -63.7 133.7 19.9 57.9 46.6 86 86 A P S S+ 0 0 56 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.571 78.0 89.8 -76.2 -10.5 20.2 61.5 45.4 87 87 A D > - 0 0 74 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.808 69.2-148.8 -91.3 125.1 21.7 60.4 42.1 88 88 A R H > S+ 0 0 202 -2,-0.6 4,-2.4 1,-0.2 -1,-0.1 0.855 97.4 48.7 -58.6 -41.1 19.2 59.7 39.3 89 89 A D H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 110.0 51.3 -74.0 -33.0 21.4 57.0 37.7 90 90 A V H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.945 110.8 48.9 -65.8 -43.8 22.0 55.2 41.0 91 91 A R H X S+ 0 0 22 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.931 110.0 52.3 -59.0 -45.1 18.2 55.2 41.6 92 92 A R H X S+ 0 0 94 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.932 106.0 54.2 -56.5 -47.2 17.7 53.8 38.1 93 93 A Y H X S+ 0 0 103 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.933 111.3 44.5 -52.1 -50.3 20.2 51.0 38.7 94 94 A Y H X S+ 0 0 50 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.762 108.1 57.9 -72.2 -25.2 18.2 49.9 41.9 95 95 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.968 112.3 40.4 -62.5 -52.3 14.9 50.2 40.1 96 96 A D H X S+ 0 0 27 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.832 113.4 56.5 -61.8 -38.8 16.1 47.7 37.5 97 97 A W H X S+ 0 0 15 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.929 108.9 45.0 -56.9 -50.3 17.8 45.7 40.3 98 98 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.805 108.0 58.7 -68.4 -29.0 14.5 45.3 42.2 99 99 A K H X S+ 0 0 29 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.925 109.4 44.1 -62.4 -44.8 12.7 44.5 38.9 100 100 A T H X S+ 0 0 7 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.898 109.4 56.1 -67.4 -36.7 15.0 41.5 38.5 101 101 A F H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.911 107.8 49.6 -60.8 -40.1 14.6 40.6 42.2 102 102 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.910 108.9 51.8 -62.5 -44.0 10.9 40.4 41.5 103 103 A D H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.929 112.1 47.4 -57.1 -45.7 11.6 38.2 38.5 104 104 A I H X S+ 0 0 1 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.953 114.3 44.2 -61.3 -52.3 13.7 35.9 40.7 105 105 A I H X>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-0.6 0.908 113.7 51.4 -64.7 -39.2 11.1 35.7 43.5 106 106 A G H ><5S+ 0 0 21 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.908 107.7 52.6 -61.3 -44.8 8.2 35.2 41.0 107 107 A D H 3<5S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 109.4 51.1 -55.0 -38.7 10.2 32.4 39.3 108 108 A L H 3<5S- 0 0 9 -4,-1.7 -39,-0.5 -5,-0.2 -1,-0.2 0.549 122.8-102.5 -84.1 -5.9 10.5 30.7 42.8 109 109 A G T <<5S+ 0 0 46 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.452 73.9 140.5 101.5 1.0 6.8 30.9 43.7 110 110 A G < - 0 0 2 -5,-2.5 -1,-0.3 -6,-0.2 -39,-0.2 -0.306 44.0-149.1 -77.3 165.6 7.0 33.9 46.0 111 111 A K + 0 0 97 -41,-2.3 44,-2.9 1,-0.2 45,-1.6 0.408 66.0 20.2-121.9 0.9 4.4 36.6 46.1 112 112 A S E - e 0 156A 0 -42,-0.3 -40,-2.2 42,-0.2 2,-0.3 -0.993 49.2-160.2-164.2 162.2 6.3 39.8 47.1 113 113 A V E +de 72 157A 0 43,-0.7 45,-1.8 -2,-0.3 2,-0.3 -0.982 24.4 140.7-143.1 152.4 9.5 41.7 47.3 114 114 A G E -de 73 158A 0 -42,-1.4 -40,-1.0 -2,-0.3 2,-0.2 -0.975 22.2-172.2-172.7-170.9 10.7 44.6 49.3 115 115 A T E - e 0 159A 0 43,-1.5 45,-1.3 -2,-0.3 79,-0.1 -0.823 61.1 -35.3-172.9-168.5 13.3 46.6 51.3 116 116 A Q - 0 0 8 43,-0.3 3,-0.1 -2,-0.2 52,-0.1 -0.380 60.8-114.8 -64.1 156.5 13.3 49.8 53.4 117 117 A F S S- 0 0 0 43,-0.5 2,-0.3 50,-0.4 -34,-0.2 0.948 83.5 -53.0 -53.9 -48.6 11.0 52.4 51.8 118 118 A A - 0 0 0 49,-0.3 2,-0.4 -35,-0.1 -1,-0.3 -0.908 48.0-125.4-172.3 167.8 14.2 54.4 51.3 119 119 A I - 0 0 8 -38,-1.7 2,-0.3 -2,-0.3 48,-0.2 -0.978 28.2-155.7-127.8 121.4 17.2 55.6 53.3 120 120 A F - 0 0 0 46,-3.2 -35,-0.1 -2,-0.4 2,-0.1 -0.717 13.9-120.9 -96.6 148.3 17.9 59.3 53.2 121 121 A T > - 0 0 45 -37,-0.4 4,-2.6 -2,-0.3 5,-0.3 -0.358 33.0-108.0 -68.2 160.7 21.2 61.1 53.8 122 122 A Y H > S+ 0 0 167 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 121.3 53.5 -53.2 -46.5 21.3 63.7 56.5 123 123 A K H > S+ 0 0 174 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.903 113.0 39.9 -61.9 -43.5 21.5 66.3 53.8 124 124 A D H 4 S+ 0 0 9 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.840 121.1 43.4 -75.4 -35.2 18.4 65.1 51.9 125 125 A F H < S+ 0 0 36 -4,-2.6 -2,-0.2 1,-0.2 6,-0.2 0.850 106.7 57.5 -76.4 -37.4 16.3 64.4 55.1 126 126 A D H < S+ 0 0 104 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 0.666 93.2 69.9 -79.9 -16.7 17.2 67.4 57.2 127 127 A D S X S- 0 0 83 -4,-0.7 4,-2.7 -5,-0.2 5,-0.2 -0.900 77.8-154.9 -95.2 105.3 15.9 70.0 54.6 128 128 A P H > S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.785 89.2 51.3 -60.6 -27.4 12.2 69.3 54.8 129 129 A A H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 112.4 44.7 -73.1 -46.6 11.4 70.6 51.3 130 130 A R H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.895 111.3 56.7 -60.5 -40.8 14.1 68.4 49.7 131 131 A R H X S+ 0 0 75 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.960 108.4 44.8 -55.2 -55.0 12.9 65.5 51.9 132 132 A E H X S+ 0 0 61 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.908 112.8 51.9 -59.0 -41.1 9.3 65.8 50.5 133 133 A E H X S+ 0 0 107 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.907 111.4 46.6 -64.0 -38.7 10.6 66.1 47.0 134 134 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.860 107.4 57.7 -74.9 -31.2 12.7 63.0 47.3 135 135 A I H X S+ 0 0 17 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.927 106.0 49.0 -61.7 -43.5 9.8 61.1 48.9 136 136 A K H X S+ 0 0 98 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.930 112.3 49.4 -61.6 -42.7 7.7 61.7 45.8 137 137 A I H X S+ 0 0 57 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.935 111.0 49.3 -60.7 -45.4 10.7 60.5 43.6 138 138 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.892 108.0 53.7 -64.4 -38.4 11.0 57.4 45.8 139 139 A I H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.909 107.0 51.5 -59.1 -44.2 7.3 56.6 45.5 140 140 A D H X S+ 0 0 109 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.854 106.9 53.9 -65.9 -30.7 7.5 56.8 41.7 141 141 A C H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 3,-0.2 0.946 108.6 49.2 -64.6 -48.0 10.4 54.3 41.8 142 142 A W H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.915 107.0 56.0 -55.5 -44.4 8.2 51.9 43.8 143 143 A A H X S+ 0 0 35 -4,-2.5 4,-1.9 1,-0.2 45,-0.3 0.888 106.7 49.5 -55.8 -41.4 5.5 52.4 41.3 144 144 A E H X S+ 0 0 72 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.908 112.3 47.3 -65.8 -44.5 7.8 51.3 38.5 145 145 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.901 109.5 54.0 -60.7 -44.5 8.9 48.2 40.4 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.880 106.6 52.1 -59.6 -39.5 5.3 47.3 41.3 147 147 A E H X S+ 0 0 123 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.946 113.6 42.9 -64.9 -47.8 4.3 47.4 37.6 148 148 A H H X S+ 0 0 11 -4,-1.9 4,-1.2 1,-0.2 3,-0.4 0.928 112.0 54.3 -60.7 -45.0 7.2 45.1 36.6 149 149 A A H <>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.3 4,-0.4 0.824 100.8 59.8 -61.3 -34.3 6.4 42.8 39.6 150 150 A A H ><5S+ 0 0 35 -4,-1.9 3,-1.2 1,-0.2 -1,-0.3 0.916 106.2 48.7 -56.5 -42.8 2.8 42.5 38.5 151 151 A G H 3<5S+ 0 0 48 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.742 105.8 56.5 -70.1 -25.3 4.2 41.0 35.3 152 152 A A T 3<5S- 0 0 16 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.471 122.2-106.2 -84.0 -2.7 6.4 38.7 37.3 153 153 A G T < 5 + 0 0 41 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.610 68.5 146.9 88.7 15.3 3.3 37.3 39.1 154 154 A L < - 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0 0 18 -2,-0.3 -267,-2.4 -5,-0.2 -266,-0.4 0.542 34.0-127.5 -89.0 -9.3 4.8 26.7 5.6 612 305 B G > + 0 0 0 -269,-0.2 3,-2.2 -268,-0.1 4,-0.3 0.610 61.7 143.2 71.9 14.8 2.8 25.6 8.7 613 306 B A G > + 0 0 39 1,-0.3 3,-1.7 -271,-0.2 -270,-0.1 0.779 57.0 74.3 -62.3 -26.1 0.1 28.2 7.9 614 307 B K G 3 S+ 0 0 179 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.792 94.3 54.0 -49.5 -31.8 -2.6 25.8 9.0 615 308 B D G < S+ 0 0 78 -3,-2.2 -1,-0.3 -238,-0.1 -2,-0.2 0.549 81.0 112.1 -87.5 -8.7 -1.5 26.5 12.6 616 309 B L < - 0 0 29 -3,-1.7 -239,-0.3 -4,-0.3 -240,-0.1 -0.422 50.5-161.7 -70.7 140.9 -1.8 30.3 12.4 617 310 B K 0 0 137 -241,-3.5 -240,-0.2 -2,-0.1 -1,-0.1 0.432 360.0 360.0-104.1 -5.2 -4.5 31.8 14.5 618 311 B I 0 0 100 -242,-0.6 -2,-0.0 -283,-0.0 -242,-0.0 -0.854 360.0 360.0-141.8 360.0 -4.8 35.2 12.8