==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAR-12 4E6P . COMPND 2 MOLECULE: PROBABLE SORBITOL DEHYDROGENASE (L-IDITOL 2-DEHYD . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR P.R.KUMAR,S.C.ALMO,NEW YORK STRUCTURAL GENOMICS RESEARCH CON . 1024 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 793 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 14.3 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 . 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 . 1 0.1 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 . 60 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.4 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 0 0 0 0 8 0 8 8 0 1 3 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 4 8 8 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 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 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 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 K > 0 0 171 0, 0.0 3,-1.5 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -95.6 84.9 4.8 -4.7 2 3 A R T 3 + 0 0 53 1,-0.3 235,-0.4 234,-0.0 27,-0.1 0.739 360.0 28.6 -69.3 -22.9 82.0 4.1 -2.2 3 4 A L T > S+ 0 0 3 25,-2.5 3,-2.3 22,-0.2 -1,-0.3 0.025 83.8 166.6-122.2 28.9 79.8 2.1 -4.6 4 5 A E T < S+ 0 0 138 -3,-1.5 26,-0.2 1,-0.3 25,-0.1 -0.136 70.5 0.3 -50.5 129.6 82.5 0.7 -6.9 5 6 A G T 3 S+ 0 0 61 24,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.537 96.5 140.3 70.1 8.3 81.3 -2.1 -9.2 6 7 A K < - 0 0 95 -3,-2.3 25,-3.2 23,-0.1 2,-0.6 -0.619 47.0-138.5 -86.6 143.1 77.7 -1.9 -7.8 7 8 A S E +a 31 0A 6 -2,-0.3 74,-2.9 23,-0.2 75,-2.3 -0.882 28.5 179.1 -98.7 123.7 74.6 -2.3 -10.0 8 9 A A E -ab 32 82A 0 23,-3.1 25,-2.6 -2,-0.6 2,-0.4 -0.869 19.7-163.2-120.8 155.9 71.8 0.1 -9.2 9 10 A L E -ab 33 83A 0 73,-2.0 75,-2.5 -2,-0.3 2,-0.5 -0.992 8.3-171.6-134.0 133.2 68.4 0.9 -10.6 10 11 A I E > -ab 34 84A 0 23,-1.9 25,-1.4 -2,-0.4 3,-0.7 -0.987 18.3-136.4-126.3 121.7 66.6 4.1 -9.7 11 12 A T E 3 S+a 35 0A 3 73,-2.2 75,-0.3 -2,-0.5 25,-0.2 -0.553 87.4 12.0 -78.8 144.9 62.9 4.6 -10.7 12 13 A G T 3 S+ 0 0 19 23,-0.9 6,-0.5 -2,-0.2 3,-0.3 0.874 84.0 141.5 60.2 42.0 62.0 8.0 -12.2 13 14 A S < + 0 0 0 22,-1.8 23,-0.1 -3,-0.7 9,-0.1 0.241 39.4 89.5-104.1 13.3 65.7 8.9 -12.6 14 15 A A S S+ 0 0 0 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.889 102.6 7.6 -72.9 -37.4 65.5 10.7 -15.9 15 16 A R S >> S+ 0 0 120 -3,-0.3 4,-0.8 4,-0.0 3,-0.6 -0.842 109.3 10.2-135.5 169.4 64.8 14.0 -14.1 16 17 A G H 3> S- 0 0 50 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 -0.202 116.2 -10.9 68.5-148.0 64.7 15.5 -10.6 17 18 A I H 3> S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.865 133.9 54.9 -58.8 -43.4 65.9 13.9 -7.4 18 19 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 -6,-0.5 -5,-0.2 0.872 106.5 52.9 -58.5 -37.9 66.3 10.4 -9.1 19 20 A R H X S+ 0 0 31 -4,-0.8 4,-2.3 -7,-0.3 -1,-0.2 0.896 108.1 49.3 -65.9 -42.8 68.6 12.0 -11.7 20 21 A A H X S+ 0 0 7 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.908 111.4 49.9 -62.8 -43.0 70.8 13.6 -9.0 21 22 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.919 109.7 51.8 -60.0 -45.2 71.0 10.2 -7.3 22 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 111.8 45.9 -56.2 -47.0 71.9 8.5 -10.6 23 24 A E H X S+ 0 0 63 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.907 113.8 48.0 -66.6 -42.2 74.7 11.1 -11.2 24 25 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.897 110.8 51.9 -65.9 -39.9 76.1 10.8 -7.6 25 26 A Y H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 -2,-0.2 0.914 108.6 50.4 -62.9 -43.6 76.0 7.0 -7.8 26 27 A V H ><5S+ 0 0 32 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.900 107.7 53.3 -61.4 -41.0 78.0 7.0 -11.0 27 28 A R H 3<5S+ 0 0 159 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.840 106.1 54.8 -63.0 -31.2 80.6 9.3 -9.5 28 29 A E T 3<5S- 0 0 29 -4,-1.5 -25,-2.5 -5,-0.1 -1,-0.3 0.281 129.9 -96.7 -87.2 10.6 80.8 6.7 -6.6 29 30 A G T < 5S+ 0 0 20 -3,-1.8 -24,-1.5 1,-0.3 -3,-0.2 0.468 78.0 136.7 96.1 2.9 81.6 4.0 -9.1 30 31 A A < - 0 0 1 -5,-2.6 2,-0.5 -26,-0.2 -1,-0.3 -0.383 52.6-130.4 -79.6 159.2 78.2 2.4 -9.6 31 32 A T E -a 7 0A 42 -25,-3.2 -23,-3.1 -28,-0.2 2,-0.5 -0.929 33.4-157.9-100.3 133.6 76.5 1.3 -12.8 32 33 A V E -ac 8 53A 0 20,-2.5 22,-2.0 -2,-0.5 2,-0.6 -0.962 18.2-145.7-127.2 127.1 73.0 2.8 -12.9 33 34 A A E -ac 9 54A 0 -25,-2.6 -23,-1.9 -2,-0.5 2,-1.3 -0.817 18.4-146.2 -84.0 118.4 69.9 1.8 -14.7 34 35 A I E -ac 10 55A 0 20,-3.5 22,-2.3 -2,-0.6 2,-0.5 -0.723 22.8-170.9 -88.3 89.2 68.0 5.0 -15.6 35 36 A A E +ac 11 56A 0 -25,-1.4 -22,-1.8 -2,-1.3 -23,-0.9 -0.712 18.3 145.9 -87.0 126.8 64.4 3.7 -15.3 36 37 A D E - c 0 57A 27 20,-1.9 22,-2.1 -2,-0.5 6,-0.1 -0.983 55.4-128.6-154.0 155.2 61.7 6.1 -16.5 37 38 A I S S+ 0 0 101 -2,-0.3 2,-1.2 20,-0.2 3,-0.1 0.788 103.3 73.1 -71.1 -27.4 58.3 5.8 -18.1 38 39 A D > - 0 0 86 1,-0.2 4,-2.5 20,-0.1 3,-0.2 -0.715 66.9-176.4 -91.4 90.2 59.7 8.4 -20.6 39 40 A I H > S+ 0 0 32 -2,-1.2 4,-3.1 1,-0.2 5,-0.2 0.831 81.6 50.5 -59.9 -38.8 62.1 6.2 -22.6 40 41 A E H > S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.878 113.2 46.8 -65.9 -38.2 63.4 9.2 -24.8 41 42 A R H > S+ 0 0 31 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.858 114.1 48.7 -70.2 -35.6 64.0 11.1 -21.6 42 43 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.912 110.6 49.1 -67.8 -46.2 65.7 8.0 -20.1 43 44 A R H X S+ 0 0 152 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.822 114.6 47.5 -63.1 -31.1 67.9 7.4 -23.1 44 45 A Q H X S+ 0 0 93 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.923 110.4 48.8 -76.9 -48.5 68.9 11.1 -23.0 45 46 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.929 112.0 51.0 -55.9 -44.7 69.6 11.2 -19.3 46 47 A A H X S+ 0 0 7 -4,-2.5 4,-2.0 1,-0.2 7,-0.4 0.871 109.0 51.0 -61.5 -40.5 71.8 8.1 -19.7 47 48 A A H < S+ 0 0 76 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.919 113.6 44.4 -60.8 -45.9 73.7 9.6 -22.5 48 49 A E H < S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.852 111.5 52.2 -71.6 -37.1 74.4 12.8 -20.6 49 50 A I H < S- 0 0 30 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.930 113.6-112.6 -68.6 -44.0 75.4 11.0 -17.4 50 51 A G >< - 0 0 16 -4,-2.0 3,-2.2 -5,-0.2 -1,-0.2 -0.788 38.3 -47.8 137.0-180.0 77.9 8.7 -19.1 51 52 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.689 124.4 62.1 -62.3 -20.3 78.8 5.2 -20.1 52 53 A A T 3 S+ 0 0 29 -3,-0.1 -20,-2.5 -21,-0.1 2,-0.4 0.544 95.9 72.5 -81.3 -9.8 78.0 3.8 -16.6 53 54 A A E < +c 32 0A 8 -3,-2.2 2,-0.3 -7,-0.4 -20,-0.2 -0.898 61.1 178.0-107.4 136.7 74.4 4.9 -17.0 54 55 A Y E -c 33 0A 21 -22,-2.0 -20,-3.5 -2,-0.4 2,-0.2 -0.983 27.2-112.1-138.1 149.4 72.0 3.1 -19.3 55 56 A A E -c 34 0A 30 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.560 27.4-179.3 -88.2 143.9 68.3 3.7 -20.1 56 57 A V E -c 35 0A 11 -22,-2.3 -20,-1.9 -2,-0.2 2,-0.4 -0.981 23.8-134.3-139.9 123.8 65.4 1.3 -19.2 57 58 A Q E +c 36 0A 120 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.642 37.6 168.1 -78.1 132.2 61.7 1.9 -20.0 58 59 A X - 0 0 7 -22,-2.1 2,-0.6 -2,-0.4 -46,-0.1 -0.962 33.9-167.7-155.1 131.4 59.6 1.2 -16.9 59 60 A D > - 0 0 45 -2,-0.3 3,-2.6 3,-0.2 7,-0.4 -0.943 13.6-160.8-114.3 102.7 56.0 1.7 -15.7 60 61 A V T 3 S+ 0 0 12 -2,-0.6 56,-0.2 1,-0.3 57,-0.1 0.620 88.9 64.8 -62.6 -10.6 56.1 0.9 -12.0 61 62 A T T 3 S+ 0 0 49 1,-0.1 2,-0.5 55,-0.1 -1,-0.3 0.555 92.7 73.0 -86.4 -8.5 52.3 0.5 -12.2 62 63 A R <> - 0 0 126 -3,-2.6 4,-2.7 1,-0.2 -3,-0.2 -0.933 66.7-153.5-113.7 124.8 52.6 -2.6 -14.5 63 64 A Q H > S+ 0 0 52 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.924 99.3 49.4 -57.3 -47.1 53.9 -6.0 -13.3 64 65 A D H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 111.1 49.0 -62.9 -38.3 55.2 -6.9 -16.7 65 66 A S H > S+ 0 0 20 -6,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 112.5 48.9 -66.4 -42.8 57.0 -3.6 -17.1 66 67 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 -7,-0.4 -2,-0.2 0.952 113.0 46.4 -59.6 -50.5 58.5 -4.1 -13.6 67 68 A D H X S+ 0 0 73 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.879 111.7 51.9 -63.0 -38.4 59.6 -7.6 -14.3 68 69 A A H X S+ 0 0 59 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.892 107.7 53.0 -63.3 -39.8 61.1 -6.6 -17.7 69 70 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.903 107.9 48.6 -65.1 -43.3 63.1 -3.8 -16.1 70 71 A I H X S+ 0 0 11 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.934 111.2 52.1 -61.3 -43.8 64.8 -6.0 -13.5 71 72 A A H X S+ 0 0 57 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.867 107.0 51.9 -60.8 -37.9 65.6 -8.5 -16.2 72 73 A A H X S+ 0 0 31 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.883 108.5 51.8 -67.2 -36.4 67.3 -5.8 -18.3 73 74 A T H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 6,-0.6 0.912 111.4 46.2 -64.5 -42.2 69.4 -4.8 -15.3 74 75 A V H < S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.837 114.8 49.9 -67.7 -32.6 70.5 -8.4 -14.9 75 76 A E H < S+ 0 0 169 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.922 120.0 32.2 -70.1 -45.5 71.1 -8.5 -18.7 76 77 A H H < S+ 0 0 111 -4,-2.9 2,-0.2 -5,-0.1 -3,-0.2 0.940 129.5 30.1 -84.7 -53.8 73.2 -5.3 -18.9 77 78 A A S < S- 0 0 16 -4,-2.0 3,-0.1 -5,-0.3 -71,-0.0 -0.525 100.6-105.3 -87.7 172.2 74.9 -5.3 -15.5 78 79 A G S S- 0 0 77 -2,-0.2 2,-0.3 1,-0.0 -4,-0.2 0.473 86.9 -40.4 -81.5 2.8 75.6 -8.8 -14.1 79 80 A G S S- 0 0 2 -6,-0.6 2,-0.4 -71,-0.0 -2,-0.2 -0.963 72.9 -71.8 168.1-159.8 72.7 -8.3 -11.6 80 81 A L + 0 0 0 -2,-0.3 -72,-0.2 44,-0.1 48,-0.1 -0.986 38.4 160.0-136.5 124.9 71.2 -5.8 -9.2 81 82 A D + 0 0 25 -74,-2.9 52,-2.8 -2,-0.4 2,-0.4 0.719 67.6 35.5-112.9 -31.9 72.7 -4.6 -5.9 82 83 A I E -bd 8 133A 1 -75,-2.3 -73,-2.0 50,-0.2 2,-0.4 -0.994 57.5-171.2-131.6 127.5 70.9 -1.3 -5.1 83 84 A L E -bd 9 134A 0 50,-2.6 52,-2.6 -2,-0.4 2,-0.5 -0.982 1.7-170.3-113.5 132.4 67.3 -0.3 -5.7 84 85 A V E -bd 10 135A 0 -75,-2.5 -73,-2.2 -2,-0.4 2,-1.3 -0.979 12.0-153.6-115.9 114.7 66.1 3.3 -5.2 85 86 A N E + d 0 136A 2 50,-2.7 52,-1.7 -2,-0.5 -75,-0.1 -0.708 40.5 142.2 -84.4 90.1 62.3 3.6 -5.3 86 87 A N + 0 0 22 -2,-1.3 -1,-0.2 -75,-0.3 -74,-0.1 0.625 25.1 114.3-107.5 -17.7 62.0 7.3 -6.4 87 88 A A + 0 0 19 -3,-0.2 2,-0.3 26,-0.1 50,-0.1 -0.356 42.9 147.9 -57.2 130.2 59.1 7.2 -8.8 88 89 A A - 0 0 49 -76,-0.1 2,-0.4 25,-0.1 18,-0.1 -0.983 36.1-148.1-164.0 152.7 56.3 9.3 -7.3 89 90 A L - 0 0 65 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.976 13.9-150.0-127.9 143.2 53.4 11.6 -8.1 90 91 A F + 0 0 60 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.832 20.7 162.2-110.1 150.3 52.1 14.5 -6.1 91 92 A D - 0 0 49 -2,-0.3 61,-0.4 58,-0.1 2,-0.3 -0.958 16.1-156.7-157.1 167.9 48.5 15.8 -5.9 92 93 A L + 0 0 5 -2,-0.3 57,-0.2 59,-0.1 56,-0.1 -0.994 23.8 137.1-152.8 139.5 46.5 18.0 -3.6 93 94 A A B -g 149 0B 12 55,-2.9 57,-0.5 -2,-0.3 58,-0.3 -0.793 48.8-101.7-178.8 140.8 42.8 18.6 -2.7 94 95 A P >> - 0 0 14 0, 0.0 3,-2.5 0, 0.0 4,-0.6 -0.309 48.6 -96.0 -67.6 157.9 40.7 19.1 0.4 95 96 A I G >4 S+ 0 0 1 52,-0.5 3,-1.2 1,-0.3 281,-0.1 0.806 121.9 52.5 -40.7 -49.8 38.8 16.1 1.7 96 97 A V G 34 S+ 0 0 43 1,-0.2 -1,-0.3 283,-0.1 280,-0.0 0.572 113.1 45.3 -71.9 -7.2 35.5 16.9 0.1 97 98 A E G <4 S+ 0 0 96 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.370 78.2 123.4-117.0 2.9 37.1 17.3 -3.4 98 99 A I << - 0 0 5 -3,-1.2 2,-0.3 -4,-0.6 -5,-0.0 -0.468 48.8-153.8 -63.9 130.9 39.3 14.2 -3.3 99 100 A T > - 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0 0 9 42,-0.2 3,-1.6 17,-0.2 4,-0.4 -0.930 35.1 -98.4-177.6 157.9 58.6 12.4 2.7 140 141 A Q G >> S+ 0 0 19 42,-1.9 3,-1.6 43,-0.3 4,-0.8 0.825 121.8 68.8 -53.1 -31.2 57.8 14.7 5.6 141 142 A A G 34 S+ 0 0 2 1,-0.3 3,-0.3 42,-0.2 -1,-0.3 0.801 93.9 54.2 -59.8 -30.4 54.3 14.2 4.3 142 143 A G G <4 S+ 0 0 12 -3,-1.6 -1,-0.3 14,-0.2 -2,-0.2 0.608 101.1 61.2 -77.9 -12.3 54.5 10.6 5.4 143 144 A R T <4 S- 0 0 42 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.2 0.698 120.9 -3.0 -86.4 -24.7 55.4 11.7 9.0 144 145 A R S < S- 0 0 32 -4,-0.8 -1,-0.3 -3,-0.3 274,-0.1 -0.950 77.1-104.7-166.7 146.7 52.2 13.6 9.6 145 146 A G - 0 0 3 -2,-0.3 2,-0.3 272,-0.2 5,-0.1 -0.170 24.0-154.2 -73.3 168.4 49.0 14.6 7.8 146 147 A E > - 0 0 42 272,-0.1 3,-1.2 1,-0.1 7,-0.1 -0.988 25.4-118.9-143.8 144.9 48.0 17.9 6.3 147 148 A A T 3 S+ 0 0 26 -2,-0.3 -52,-0.5 1,-0.3 3,-0.3 0.795 111.8 31.6 -52.1 -38.7 44.5 19.3 5.6 148 149 A L T 3 S+ 0 0 20 1,-0.2 -55,-2.9 -54,-0.1 -1,-0.3 0.503 115.6 56.7-100.5 -4.1 45.0 19.6 1.8 149 150 A V B <> +g 93 0B 2 -3,-1.2 4,-2.7 -57,-0.2 5,-0.3 -0.180 57.9 134.8-123.8 37.1 47.3 16.7 1.1 150 151 A A H > S+ 0 0 1 -57,-0.5 4,-2.4 -3,-0.3 5,-0.2 0.900 74.2 45.8 -60.8 -44.3 45.5 13.6 2.4 151 152 A I H > S+ 0 0 7 -58,-0.3 4,-2.3 2,-0.2 5,-0.2 0.973 116.9 41.9 -65.5 -54.8 46.2 11.4 -0.5 152 153 A Y H > S+ 0 0 36 -61,-0.4 4,-2.1 1,-0.2 5,-0.2 0.927 116.2 49.7 -59.6 -46.6 49.9 12.1 -1.0 153 154 A C H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.910 110.0 51.9 -57.1 -43.7 50.5 12.1 2.8 154 155 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.893 108.9 49.6 -64.4 -40.2 48.7 8.7 3.1 155 156 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.892 111.9 48.4 -62.3 -40.0 50.8 7.2 0.3 156 157 A K H X S+ 0 0 6 -4,-2.1 4,-1.9 2,-0.2 -14,-0.2 0.814 109.3 52.6 -74.6 -29.1 54.0 8.4 2.0 157 158 A A H X S+ 0 0 9 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.907 109.2 50.3 -66.2 -42.1 52.9 7.0 5.3 158 159 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.897 107.7 54.1 -62.0 -40.2 52.3 3.7 3.6 159 160 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.924 108.1 48.7 -58.2 -47.2 55.8 3.9 2.1 160 161 A I H X S+ 0 0 14 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.905 113.5 48.0 -60.0 -41.1 57.3 4.4 5.6 161 162 A S H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.938 111.4 48.6 -64.5 -47.9 55.3 1.4 6.8 162 163 A L H X S+ 0 0 4 -4,-3.0 4,-3.2 1,-0.2 5,-0.4 0.876 108.0 56.5 -61.1 -39.8 56.3 -0.8 3.9 163 164 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.920 110.1 44.6 -55.3 -46.8 60.0 0.2 4.5 164 165 A Q H X S+ 0 0 16 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.955 116.5 45.4 -64.6 -48.7 59.7 -1.1 8.1 165 166 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.923 116.6 43.6 -62.8 -47.2 57.9 -4.3 7.1 166 167 A A H X S+ 0 0 2 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.875 110.2 57.2 -66.7 -39.2 60.2 -5.2 4.2 167 168 A G H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.4 -1,-0.2 0.921 109.3 45.3 -55.7 -44.9 63.3 -4.2 6.2 168 169 A L H < S+ 0 0 38 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.857 116.8 44.5 -69.2 -35.6 62.3 -6.8 8.9 169 170 A D H < S+ 0 0 12 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.794 118.5 40.8 -79.1 -28.3 61.5 -9.5 6.4 170 171 A L H ><>S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.2 5,-1.6 0.582 87.1 85.1-103.9 -12.3 64.5 -9.1 4.1 171 172 A I G ><5S+ 0 0 3 -4,-1.3 3,-2.5 1,-0.3 -1,-0.2 0.849 82.7 65.7 -64.0 -30.3 67.4 -8.5 6.5 172 173 A K G 3 5S+ 0 0 133 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.757 100.9 51.0 -60.7 -21.1 67.8 -12.3 6.9 173 174 A H G < 5S- 0 0 69 -3,-1.7 -1,-0.3 2,-0.2 -42,-0.3 0.329 125.0-109.4 -92.8 7.9 68.8 -12.2 3.2 174 175 A R T < 5S+ 0 0 114 -3,-2.5 -42,-2.0 1,-0.3 2,-0.6 0.822 75.3 139.4 64.0 34.6 71.3 -9.4 4.0 175 176 A I E < -e 132 0A 0 -5,-1.6 2,-0.5 -44,-0.3 -1,-0.3 -0.954 43.5-148.7-107.3 118.7 69.2 -6.9 2.2 176 177 A N E -e 133 0A 8 -44,-2.3 -42,-2.9 -2,-0.6 2,-0.5 -0.767 11.1-167.7 -84.9 127.7 68.9 -3.5 4.0 177 178 A V E +e 134 0A 0 -2,-0.5 67,-2.2 -44,-0.2 68,-0.3 -0.970 23.2 144.6-116.7 120.7 65.6 -1.7 3.5 178 179 A N E -e 135 0A 2 -44,-2.3 -42,-2.5 -2,-0.5 2,-0.3 -0.844 31.0-137.4-139.6 176.9 65.5 1.9 4.6 179 180 A A E -ef 136 246A 0 66,-2.5 68,-2.6 -2,-0.3 2,-0.4 -0.974 4.6-140.5-139.0 155.8 63.9 5.2 3.4 180 181 A I E -ef 137 247A 0 -44,-2.2 -42,-3.0 -2,-0.3 68,-0.2 -0.950 11.7-161.0-113.2 135.7 64.8 8.9 3.0 181 182 A A E - 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0 0 79 -5,-1.6 -1,-0.2 -8,-0.1 2,-0.1 -0.866 56.3 -93.1-123.8 159.3 46.7 33.1 -2.2 204 205 A P > - 0 0 89 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.481 60.8 -88.4 -64.0 147.0 48.7 35.1 -4.7 205 206 A R T 3 S+ 0 0 128 1,-0.2 -10,-0.1 2,-0.1 -14,-0.0 -0.293 113.8 22.9 -54.9 136.8 51.0 32.8 -6.7 206 207 A G T 3> S+ 0 0 31 -15,-0.1 4,-2.0 -3,-0.1 -1,-0.2 0.141 93.4 100.3 93.2 -20.1 54.4 32.3 -5.1 207 208 A E H <> S+ 0 0 80 -3,-1.7 4,-2.6 2,-0.2 5,-0.2 0.940 82.6 48.1 -66.4 -44.9 53.2 33.2 -1.6 208 209 A K H > S+ 0 0 38 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.942 111.1 50.5 -59.0 -47.0 52.9 29.6 -0.4 209 210 A K H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.919 112.6 47.2 -60.0 -42.0 56.4 28.7 -1.8 210 211 A R H X S+ 0 0 177 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.933 112.5 47.4 -63.5 -49.2 58.0 31.6 -0.0 211 212 A L H X S+ 0 0 77 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.911 113.8 48.9 -60.0 -42.7 56.3 31.0 3.3 212 213 A V H >X S+ 0 0 27 -4,-2.8 3,-0.7 -5,-0.2 4,-0.6 0.952 113.4 46.1 -62.5 -49.2 57.2 27.3 3.2 213 214 A G H >< S+ 0 0 10 -4,-2.7 3,-0.9 1,-0.2 6,-0.2 0.884 112.1 51.3 -58.9 -41.1 60.8 28.2 2.3 214 215 A E H 3< S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.661 104.5 58.5 -73.5 -16.3 61.1 30.8 5.0 215 216 A A H << S+ 0 0 68 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.571 75.5 106.9 -91.5 -10.4 59.8 28.3 7.6 216 217 A V S X< S- 0 0 4 -3,-0.9 3,-1.3 -4,-0.6 36,-0.1 -0.581 70.7-139.5 -67.2 122.4 62.5 25.8 7.1 217 218 A P T 3 S+ 0 0 43 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 0.862 100.2 62.4 -51.6 -38.3 64.7 26.1 10.3 218 219 A F T 3 S- 0 0 57 33,-1.6 33,-0.1 32,-0.2 34,-0.1 0.827 117.7-110.3 -59.2 -34.5 67.9 25.7 8.1 219 220 A G S < S+ 0 0 58 -3,-1.3 2,-0.3 -6,-0.2 -1,-0.1 0.347 83.2 39.2 120.3 -6.0 67.0 28.9 6.2 220 221 A R S S- 0 0 96 31,-0.1 -1,-0.2 -8,-0.1 -2,-0.2 -0.988 84.7 -85.8-161.9 163.0 66.0 27.6 2.7 221 222 A X - 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0 0 84 -5,-1.5 -1,-0.2 -6,-0.2 3,-0.1 -0.865 58.1 -91.0-120.5 157.5 67.0 -15.5 35.2 975 205 D P > - 0 0 87 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.441 59.7 -92.0 -59.6 140.6 70.3 -17.5 34.9 976 206 D R T 3 S+ 0 0 130 1,-0.2 -10,-0.1 2,-0.1 -14,-0.0 -0.289 113.7 25.9 -53.1 138.6 73.2 -15.2 34.2 977 207 D G T 3> S+ 0 0 36 -15,-0.1 4,-1.9 -3,-0.1 -1,-0.2 0.106 94.5 97.3 93.1 -23.4 73.7 -14.8 30.4 978 208 D E H <> S+ 0 0 73 -3,-1.9 4,-2.6 2,-0.2 5,-0.2 0.927 81.8 49.9 -65.7 -45.5 70.1 -15.6 29.5 979 209 D K H > S+ 0 0 36 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.933 111.0 49.1 -59.1 -45.6 69.0 -12.0 29.1 980 210 D K H > S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.935 112.4 48.7 -60.9 -44.1 71.9 -11.1 26.9 981 211 D R H X S+ 0 0 153 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.918 111.6 47.9 -62.8 -46.2 71.3 -14.1 24.7 982 212 D L H X S+ 0 0 67 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.926 113.5 49.2 -59.1 -44.9 67.6 -13.4 24.3 983 213 D V H >X S+ 0 0 25 -4,-2.7 4,-0.7 -5,-0.2 3,-0.6 0.926 112.1 47.2 -61.0 -48.4 68.3 -9.8 23.5 984 214 D G H >< S+ 0 0 12 -4,-2.9 3,-0.9 1,-0.2 6,-0.2 0.906 111.0 51.5 -58.6 -44.2 71.0 -10.7 20.9 985 215 D E H 3< S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.650 105.1 58.4 -69.2 -17.5 68.7 -13.3 19.2 986 216 D A H << S+ 0 0 69 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.610 75.0 105.7 -91.4 -13.6 65.9 -10.7 19.0 987 217 D V S X< S- 0 0 3 -3,-0.9 3,-1.4 -4,-0.7 36,-0.1 -0.549 71.0-139.0 -65.0 121.1 67.8 -8.1 16.9 988 218 D P T 3 S+ 0 0 41 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 0.884 99.8 62.9 -48.8 -42.3 66.3 -8.5 13.4 989 219 D F T 3 S- 0 0 13 33,-2.0 34,-0.1 32,-0.2 33,-0.1 0.780 117.5-109.9 -56.9 -32.7 69.8 -8.1 11.9 990 220 D G S < S+ 0 0 53 -3,-1.4 2,-0.3 -6,-0.2 -1,-0.1 0.285 83.5 37.9 122.4 -10.5 71.0 -11.3 13.6 991 221 D R S S- 0 0 93 31,-0.1 -1,-0.2 -8,-0.0 -2,-0.2 -0.983 85.9 -84.2-159.8 162.5 73.4 -10.1 16.3 992 222 D X - 0 0 19 -2,-0.3 -36,-0.2 1,-0.1 30,-0.1 -0.299 56.5 -99.3 -65.5 159.3 74.1 -7.4 18.8 993 223 D G B -e 956 0K 0 -38,-3.3 -36,-3.2 28,-0.1 2,-0.3 -0.268 26.5-147.2 -81.2 165.5 75.8 -4.3 17.6 994 224 D T > - 0 0 48 -38,-0.2 3,-0.8 1,-0.1 4,-0.4 -0.848 30.7-111.2-121.0 165.5 79.4 -3.3 17.8 995 225 D A T >> S+ 0 0 13 -2,-0.3 3,-1.8 1,-0.2 4,-0.6 0.870 118.3 63.8 -61.3 -34.8 80.9 0.2 18.1 996 226 D E H >> S+ 0 0 124 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.787 90.4 64.8 -63.7 -27.8 82.2 -0.2 14.6 997 227 D D H <4 S+ 0 0 26 -3,-0.8 4,-0.3 1,-0.2 -1,-0.3 0.748 106.5 45.6 -59.4 -24.3 78.6 -0.5 13.3 998 228 D L H <> S+ 0 0 2 -3,-1.8 4,-1.7 -4,-0.4 -1,-0.2 0.552 88.5 81.6-101.0 -13.0 78.1 3.1 14.4 999 229 D T H S+ 0 0 0 -4,-0.3 4,-2.5 -763,-0.3 -1,-0.2 0.866 110.1 55.0 -66.2 -36.5 77.1 7.4 11.0 1002 232 D A H < S+ 0 0 1 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.903 112.2 43.3 -66.5 -39.0 79.3 9.3 13.4 1003 233 D I H >X S+ 0 0 0 -4,-2.6 3,-1.3 2,-0.2 4,-0.6 0.946 112.7 53.7 -66.5 -47.4 81.6 10.4 10.5 1004 234 D F H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 6,-0.4 0.910 107.7 48.8 -53.0 -48.1 78.5 11.2 8.3 1005 235 D L T 3< S+ 0 0 2 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.603 112.8 49.0 -74.1 -9.9 76.9 13.5 10.8 1006 236 D A T <4 S+ 0 0 7 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.437 103.5 79.3-103.2 -3.1 80.2 15.3 11.3 1007 237 D S S X< S- 0 0 6 -3,-1.4 3,-1.6 -4,-0.6 -233,-0.1 -0.490 93.2-102.2-105.4 172.7 80.8 15.8 7.6 1008 238 D A G > S+ 0 0 76 -235,-0.3 3,-1.7 1,-0.3 4,-0.2 0.718 111.5 74.9 -64.9 -23.0 79.5 18.2 4.8 1009 239 D E G 3 S+ 0 0 53 1,-0.3 -779,-0.3 2,-0.1 -1,-0.3 0.639 98.2 46.9 -66.0 -13.6 77.2 15.4 3.5 1010 240 D S G X S+ 0 0 0 -3,-1.6 3,-2.1 -6,-0.4 -1,-0.3 0.185 73.7 116.7-111.3 16.8 74.9 16.0 6.5 1011 241 D D T < S+ 0 0 70 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.830 78.4 48.2 -56.5 -34.4 74.8 19.8 6.3 1012 242 D Y T 3 S+ 0 0 6 -786,-0.3 -761,-2.7 -4,-0.2 2,-0.6 0.373 89.1 102.4 -88.0 6.6 71.0 19.9 5.6 1013 243 D I < + 0 0 1 -3,-2.1 2,-0.4 -763,-0.2 -764,-0.1 -0.814 49.4 171.8 -98.4 119.6 70.3 17.5 8.5 1014 244 D V - 0 0 0 -2,-0.6 -762,-0.2 -760,-0.2 -760,-0.2 -0.991 54.7 -8.4-136.1 130.7 68.9 19.2 11.5 1015 245 D S S S+ 0 0 0 -67,-1.9 2,-0.3 -2,-0.4 -66,-0.2 0.694 88.9 142.0 65.3 25.0 67.4 18.1 14.9 1016 246 D Q - 0 0 0 -68,-0.3 -66,-2.6 -761,-0.1 2,-0.5 -0.685 43.3-152.2-102.3 152.6 67.2 14.4 13.9 1017 247 D T E -d 950 0J 2 -761,-2.4 2,-0.6 -2,-0.3 -66,-0.2 -0.991 17.5-159.0-118.9 121.9 67.9 11.2 15.9 1018 248 D Y E -d 951 0J 2 -68,-2.8 -66,-3.0 -2,-0.5 2,-0.5 -0.895 8.8-140.5-109.1 120.9 69.0 8.3 13.7 1019 249 D N E +d 952 0J 0 -2,-0.6 2,-0.5 -68,-0.2 -776,-0.1 -0.673 19.9 177.3 -77.6 122.6 68.7 4.7 14.9 1020 250 D V E +d 953 0J 1 -68,-1.8 -66,-0.8 -2,-0.5 -778,-0.2 -0.884 39.5 120.5-118.7 94.7 71.6 2.5 14.0 1021 251 D D S > S- 0 0 0 -2,-0.5 3,-2.2 -780,-0.3 -66,-0.2 0.145 83.4-101.3-151.6 22.3 70.4 -0.7 15.7 1022 252 D G T 3 S- 0 0 0 -781,-2.8 -33,-2.0 1,-0.3 -32,-0.2 0.683 87.6 -57.0 57.8 17.0 70.0 -3.7 13.3 1023 253 D G T 3 S+ 0 0 5 -782,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.510 100.3 134.3 95.5 6.0 66.3 -3.0 13.3 1024 254 D N S < S+ 0 0 39 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.774 80.7 14.1 -64.3 -28.3 65.9 -3.2 17.1 1025 255 D W S S- 0 0 49 -782,-0.2 2,-0.6 2,-0.0 -2,-0.2 -0.983 76.3-141.4-143.2 144.8 63.8 -0.1 17.0 1026 256 D X 0 0 31 -2,-0.3 -781,-0.1 -3,-0.1 -782,-0.1 -0.899 360.0 360.0-113.8 120.5 62.1 1.7 14.0 1027 257 D S 0 0 22 -2,-0.6 -781,-2.5 -8,-0.1 -771,-0.1 -0.784 360.0 360.0-130.8 360.0 62.0 5.4 13.7