==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/TRANSPORT PROTEIN 24-JUN-11 3ZS9 . COMPND 2 MOLECULE: ATPASE GET3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.MARIAPPAN,A.MATEJA,M.DOBOSZ,E.BOVE,R.S.HEGDE,R.J.KEENAN . 661 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 1 0.2 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 . 43 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 4 2 0 0 0 1 2 0 3 0 0 3 3 3 2 0 2 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 9 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A V 0 0 60 0, 0.0 254,-0.3 0, 0.0 252,-0.1 0.000 360.0 360.0 360.0 113.7 -12.6 26.4 -9.5 2 6 A E - 0 0 66 1,-0.2 2,-1.7 252,-0.1 253,-0.1 -0.212 360.0-129.0 -59.0 136.6 -15.2 24.7 -7.4 3 7 A P S S+ 0 0 49 0, 0.0 254,-0.3 0, 0.0 2,-0.3 -0.285 79.4 69.5 -83.2 51.2 -14.4 21.0 -6.8 4 8 A N S S- 0 0 6 -2,-1.7 3,-0.2 252,-0.1 275,-0.2 -0.945 80.3-119.1-155.0 175.5 -17.8 19.8 -7.9 5 9 A L > + 0 0 2 273,-3.7 4,-2.9 -2,-0.3 3,-0.5 0.030 68.2 123.0-106.6 22.5 -20.2 19.4 -10.9 6 10 A H H > S+ 0 0 76 273,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.871 72.4 52.9 -55.5 -41.4 -22.9 21.6 -9.5 7 11 A S H 4 S+ 0 0 34 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.878 114.1 42.7 -61.3 -38.6 -22.9 23.9 -12.6 8 12 A L H >4 S+ 0 0 11 -3,-0.5 3,-1.9 2,-0.2 -2,-0.2 0.940 110.5 54.8 -73.5 -46.0 -23.3 20.9 -14.9 9 13 A I H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.868 116.1 39.0 -54.1 -40.4 -26.0 19.2 -12.8 10 14 A T T 3< S+ 0 0 60 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.225 87.2 135.2 -96.6 12.6 -28.1 22.4 -12.8 11 15 A S < - 0 0 15 -3,-1.9 -3,-0.1 1,-0.1 -4,-0.0 -0.343 38.2-167.2 -65.4 144.2 -27.4 23.3 -16.5 12 16 A T S S+ 0 0 119 1,-0.0 -1,-0.1 -2,-0.0 -4,-0.1 0.278 83.1 50.3-109.5 6.5 -30.3 24.4 -18.6 13 17 A T S S+ 0 0 59 169,-0.1 169,-0.1 120,-0.0 -2,-0.0 0.736 77.5 105.0-111.9 -32.4 -28.5 24.2 -21.9 14 18 A H + 0 0 25 1,-0.2 169,-0.2 -6,-0.1 170,-0.2 -0.245 25.2 161.8 -66.1 132.8 -26.8 20.8 -22.1 15 19 A K S S+ 0 0 37 168,-2.8 119,-2.6 1,-0.3 2,-0.4 0.554 70.4 43.5-113.8 -22.2 -28.3 18.1 -24.3 16 20 A W E +ab 134 184A 3 167,-2.3 169,-1.8 117,-0.2 2,-0.5 -0.974 59.6 175.0-134.5 117.5 -25.2 15.8 -24.6 17 21 A I E -ab 135 185A 0 117,-2.5 119,-3.2 -2,-0.4 2,-0.3 -0.954 11.7-162.8-129.5 110.7 -23.0 14.8 -21.7 18 22 A F E -ab 136 186A 0 167,-2.7 169,-3.5 -2,-0.5 2,-0.5 -0.734 2.9-163.2 -92.4 143.9 -20.3 12.3 -22.3 19 23 A V E +ab 137 187A 0 117,-1.8 119,-1.7 -2,-0.3 2,-0.2 -0.984 29.7 150.1-126.0 116.6 -18.6 10.5 -19.4 20 24 A G E + b 0 188A 0 167,-2.3 169,-2.9 -2,-0.5 2,-0.3 -0.824 7.3 111.3-143.8 179.4 -15.3 8.8 -20.3 21 25 A G - 0 0 0 118,-0.4 120,-1.2 -2,-0.2 169,-0.1 -0.866 62.9 -22.1 142.6-175.4 -11.8 7.6 -19.4 22 26 A K S > S- 0 0 37 167,-0.5 3,-1.2 -2,-0.3 5,-0.3 -0.063 81.2 -74.9 -60.1 160.6 -9.7 4.5 -18.9 23 27 A G T 3 S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.1 116,-0.0 -0.261 109.7 5.4 -58.9 141.7 -11.3 1.1 -18.2 24 28 A G T 3 S+ 0 0 28 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.514 87.7 119.0 68.8 8.9 -12.7 0.4 -14.7 25 29 A V S < S- 0 0 2 -3,-1.2 165,-0.2 164,-0.1 195,-0.1 0.712 94.5 -85.9 -77.8 -20.0 -12.1 3.9 -13.4 26 30 A G S > S+ 0 0 11 -4,-0.2 4,-2.7 163,-0.1 5,-0.2 0.672 76.3 143.0 119.0 31.3 -15.9 4.4 -12.7 27 31 A K H > S+ 0 0 12 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.938 82.2 41.9 -60.7 -50.5 -17.5 5.7 -15.9 28 32 A T H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 116.9 48.1 -64.8 -47.2 -20.7 3.7 -15.4 29 33 A T H > S+ 0 0 28 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.921 117.4 42.4 -58.1 -46.0 -20.8 4.5 -11.6 30 34 A S H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.870 111.5 53.0 -70.9 -39.5 -20.2 8.2 -12.3 31 35 A S H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.921 110.7 47.6 -66.9 -39.8 -22.6 8.5 -15.3 32 36 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.908 113.9 49.3 -57.5 -44.6 -25.4 7.0 -13.2 33 37 A S H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.922 111.7 46.1 -66.6 -45.8 -24.5 9.4 -10.4 34 38 A I H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.913 114.1 50.1 -61.0 -42.6 -24.4 12.4 -12.6 35 39 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.893 110.1 49.5 -65.2 -41.5 -27.7 11.4 -14.2 36 40 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.951 110.7 50.4 -61.0 -50.9 -29.4 10.8 -10.8 37 41 A Q H X S+ 0 0 16 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.886 112.3 46.9 -53.8 -43.3 -28.2 14.3 -9.6 38 42 A M H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.914 112.5 48.5 -67.9 -43.8 -29.6 16.0 -12.8 39 43 A A H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 113.8 47.1 -63.7 -40.2 -33.0 14.2 -12.6 40 44 A L H < S+ 0 0 94 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 116.2 45.4 -67.1 -35.9 -33.3 15.0 -8.9 41 45 A S H < S+ 0 0 50 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.719 121.2 37.2 -80.1 -23.5 -32.3 18.7 -9.6 42 46 A Q >< + 0 0 22 -4,-2.0 3,-1.9 -5,-0.1 -1,-0.2 -0.575 60.8 164.9-133.6 74.4 -34.6 19.1 -12.7 43 47 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.711 76.6 62.6 -62.3 -24.0 -37.9 17.2 -12.2 44 48 A N T 3 S+ 0 0 161 -3,-0.1 2,-0.3 2,-0.0 -5,-0.1 0.544 97.9 70.8 -80.3 -6.6 -39.5 19.0 -15.1 45 49 A K S < S- 0 0 37 -3,-1.9 2,-0.5 -6,-0.2 -3,-0.1 -0.825 75.6-132.1-115.9 150.9 -36.9 17.5 -17.5 46 50 A Q - 0 0 57 -2,-0.3 86,-2.5 84,-0.1 87,-1.5 -0.886 21.4-161.1-106.9 128.2 -36.5 14.0 -18.8 47 51 A F E -cd 79 133A 0 31,-2.5 33,-2.2 -2,-0.5 2,-0.5 -0.874 6.2-161.4-113.1 138.9 -33.1 12.4 -18.8 48 52 A L E -cd 80 134A 0 85,-2.4 87,-3.0 -2,-0.4 2,-0.6 -0.977 3.6-160.1-118.5 124.9 -31.8 9.4 -20.8 49 53 A L E -cd 81 135A 0 31,-3.0 33,-2.2 -2,-0.5 2,-0.4 -0.917 16.6-171.3-100.0 119.7 -28.7 7.5 -19.8 50 54 A I E -cd 82 136A 3 85,-2.9 87,-3.2 -2,-0.6 2,-0.6 -0.943 16.2-142.2-117.1 134.2 -27.3 5.5 -22.7 51 55 A S E +cd 83 137A 3 31,-2.5 33,-0.6 -2,-0.4 87,-0.2 -0.839 19.6 175.2 -93.4 122.3 -24.5 3.0 -22.6 52 56 A T + 0 0 9 85,-2.4 87,-0.2 -2,-0.6 86,-0.2 0.370 53.0 106.5-103.0 1.1 -22.2 3.0 -25.6 53 57 A D - 0 0 17 84,-1.0 4,-0.1 85,-0.2 -2,-0.1 -0.735 68.1-147.1 -73.0 113.6 -20.0 0.4 -24.0 54 58 A P S S+ 0 0 25 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.760 97.8 63.6 -55.8 -27.2 -20.8 -2.8 -26.0 55 59 A A S S- 0 0 12 -3,-0.0 383,-0.1 2,-0.0 -2,-0.1 -0.801 96.8-151.8 -94.1 85.1 -20.2 -4.6 -22.8 56 60 A H + 0 0 36 -2,-1.1 4,-0.1 1,-0.1 27,-0.1 -0.286 31.7 169.4 -67.4 143.4 -23.1 -2.9 -21.0 57 61 A N > + 0 0 2 2,-0.1 4,-2.6 -4,-0.1 5,-0.2 0.341 53.4 94.7-133.0 0.2 -23.2 -2.4 -17.3 58 62 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.903 90.1 48.7 -62.6 -40.4 -26.2 -0.1 -16.7 59 63 A S H >>S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 5,-1.4 0.898 114.1 46.8 -63.9 -41.1 -28.5 -3.0 -16.0 60 64 A D H 45S+ 0 0 9 3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.841 110.8 52.9 -67.5 -38.1 -25.9 -4.4 -13.6 61 65 A A H <5S+ 0 0 2 -4,-2.6 206,-3.1 1,-0.2 -2,-0.2 0.938 120.5 30.4 -64.4 -46.3 -25.4 -1.1 -11.9 62 66 A F H <5S- 0 0 15 -4,-2.2 206,-0.4 2,-0.2 -2,-0.2 0.660 105.8-124.7 -88.5 -17.5 -29.1 -0.5 -11.1 63 67 A G T <5S+ 0 0 49 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.811 76.2 91.7 76.1 32.0 -29.9 -4.2 -10.8 64 68 A E S - 0 0 2 6,-3.3 3,-2.1 -2,-0.1 6,-0.2 -0.543 42.2-103.1 -67.5 132.4 -35.3 3.6 -13.7 74 78 A T T 3 S+ 0 0 95 1,-0.3 194,-0.1 -2,-0.2 -1,-0.1 -0.410 109.3 23.7 -58.7 128.2 -37.4 2.1 -10.9 75 79 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.425 108.4 89.7 92.1 -0.5 -37.9 4.8 -8.3 76 80 A M < - 0 0 20 -3,-2.1 -1,-0.3 3,-0.2 -36,-0.0 -0.946 53.6-164.6-122.9 150.7 -37.4 7.7 -10.7 77 81 A N S S+ 0 0 133 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.0 0.580 91.5 32.4-102.4 -15.7 -40.0 9.5 -12.8 78 82 A N S S+ 0 0 12 -32,-0.1 -31,-2.5 -5,-0.1 2,-0.4 0.092 97.5 84.4-136.6 22.9 -37.5 11.3 -15.1 79 83 A L E +c 47 0A 0 -6,-0.2 -6,-3.3 -33,-0.2 2,-0.3 -0.993 48.5 173.8-128.3 128.8 -34.5 9.1 -15.6 80 84 A S E -cE 48 72A 6 -33,-2.2 -31,-3.0 -2,-0.4 2,-0.3 -0.849 16.3-143.6-126.2 162.1 -34.3 6.3 -18.1 81 85 A C E -cE 49 71A 0 -10,-2.4 -10,-1.4 -2,-0.3 -14,-0.4 -0.952 8.4-167.2-127.9 152.3 -31.7 3.9 -19.4 82 86 A M E +c 50 0A 6 -33,-2.2 -31,-2.5 -2,-0.3 2,-0.4 -0.999 9.5 176.0-137.7 132.5 -30.8 2.4 -22.8 83 87 A E E -c 51 0A 8 -16,-2.4 2,-0.4 -2,-0.4 -14,-0.2 -0.895 24.1-145.0-134.2 107.1 -28.5 -0.4 -23.8 84 88 A I - 0 0 15 -33,-0.6 -28,-0.1 -2,-0.4 3,-0.1 -0.583 7.2-158.7 -79.9 126.5 -28.5 -1.3 -27.5 85 89 A D >> - 0 0 86 -2,-0.4 4,-2.4 1,-0.1 3,-1.5 -0.909 12.2-154.5 -95.8 100.6 -28.1 -4.9 -28.6 86 90 A P H 3> S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.782 91.5 55.6 -49.0 -36.7 -26.9 -4.4 -32.2 87 91 A S H 3> S+ 0 0 70 15,-0.2 4,-1.0 2,-0.2 15,-0.1 0.823 112.2 42.2 -67.0 -34.4 -28.2 -7.8 -33.2 88 92 A A H <> S+ 0 0 31 -3,-1.5 4,-2.6 2,-0.2 3,-0.3 0.949 112.7 51.7 -76.2 -52.4 -31.7 -6.9 -32.0 89 93 A A H X S+ 0 0 10 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.890 112.0 48.0 -49.5 -45.0 -31.8 -3.4 -33.3 90 94 A L H X S+ 0 0 25 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.833 109.5 52.2 -69.7 -33.4 -30.8 -4.7 -36.8 91 95 A K H X S+ 0 0 139 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.2 0.894 109.6 49.8 -68.3 -39.5 -33.4 -7.4 -36.7 92 96 A D H X S+ 0 0 63 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.866 111.3 48.3 -66.1 -38.2 -36.1 -4.8 -35.9 93 97 A M H < S+ 0 0 70 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.867 111.5 51.1 -68.4 -36.0 -34.9 -2.6 -38.7 94 98 A N H < S+ 0 0 120 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.895 114.6 42.8 -67.1 -40.6 -35.0 -5.7 -41.0 95 99 A D H < 0 0 112 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.927 360.0 360.0 -68.5 -46.5 -38.5 -6.5 -39.9 96 100 A M < 0 0 189 -4,-2.9 -3,-0.0 -5,-0.2 0, 0.0 -0.034 360.0 360.0 -56.0 360.0 -39.7 -2.9 -40.1 97 ! 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 98 127 A A > 0 0 55 0, 0.0 4,-1.0 0, 0.0 -8,-0.1 0.000 360.0 360.0 360.0 17.0 -27.9 -8.5 -41.5 99 128 A D T 4 + 0 0 138 2,-0.2 4,-0.5 1,-0.1 -8,-0.0 0.656 360.0 64.9 -83.2 -21.9 -26.2 -10.9 -39.0 100 129 A L T >4 S+ 0 0 45 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.987 107.5 38.3 -50.0 -61.8 -23.2 -10.0 -41.1 101 130 A T G >4 S+ 0 0 55 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.736 103.1 71.6 -67.9 -26.3 -23.5 -6.4 -39.9 102 131 A G G 3< S+ 0 0 0 -4,-1.0 -1,-0.2 1,-0.3 -15,-0.2 0.620 109.3 31.9 -69.4 -13.3 -24.5 -7.3 -36.4 103 132 A S G < S+ 0 0 27 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.198 85.4 124.5-130.3 12.8 -21.0 -8.5 -35.5 104 133 A I S X S- 0 0 45 -3,-1.0 3,-2.7 -4,-0.2 4,-0.3 -0.614 73.7-105.7 -72.6 126.7 -18.9 -6.2 -37.7 105 134 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.328 110.5 30.2 -53.9 135.2 -16.3 -4.3 -35.6 106 135 A G T 3> S+ 0 0 9 300,-0.1 4,-2.3 -3,-0.0 5,-0.2 0.181 84.0 111.5 97.9 -17.3 -17.6 -0.7 -35.4 107 136 A I H <> S+ 0 0 20 -3,-2.7 4,-2.3 1,-0.2 5,-0.2 0.849 75.2 57.6 -58.0 -32.1 -21.3 -1.7 -35.6 108 137 A D H > S+ 0 0 9 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.952 108.7 42.4 -64.5 -48.9 -21.6 -0.6 -32.0 109 138 A E H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 112.3 56.7 -66.7 -32.2 -20.4 2.9 -32.6 110 139 A A H X S+ 0 0 40 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.929 111.2 41.2 -64.3 -44.5 -22.5 3.0 -35.8 111 140 A L H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.875 112.1 54.1 -73.9 -37.4 -25.7 2.2 -34.0 112 141 A S H X S+ 0 0 9 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.901 111.2 48.2 -58.1 -40.7 -24.9 4.5 -31.0 113 142 A F H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.884 107.8 53.7 -68.2 -40.4 -24.5 7.2 -33.6 114 143 A M H X S+ 0 0 81 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.863 105.2 55.1 -59.5 -37.4 -27.8 6.4 -35.3 115 144 A E H X S+ 0 0 18 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.907 107.8 49.0 -65.3 -41.0 -29.5 6.7 -32.0 116 145 A V H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.942 111.7 48.5 -60.7 -47.8 -28.1 10.2 -31.7 117 146 A M H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.884 109.2 53.9 -60.5 -39.4 -29.3 11.0 -35.2 118 147 A K H X S+ 0 0 70 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.894 109.0 48.4 -61.3 -41.8 -32.7 9.6 -34.3 119 148 A H H X S+ 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+ 0 0 31 -2,-0.8 4,-0.5 28,-0.1 -215,-0.2 -0.961 31.9 39.3-138.5 153.2 5.2 -1.1 -13.5 576 323 B G S > S- 0 0 22 -217,-3.4 4,-2.3 -2,-0.3 5,-0.3 0.129 87.7 -83.1 86.7 152.0 8.7 -1.8 -14.9 577 324 B L H > S+ 0 0 34 -217,-0.5 4,-2.7 1,-0.2 5,-0.2 0.914 124.2 54.2 -54.8 -48.4 10.2 -5.2 -15.6 578 325 B N H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 113.8 38.4 -55.0 -55.1 11.4 -5.8 -12.1 579 326 B N H > S+ 0 0 34 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.873 114.9 53.3 -68.2 -37.9 8.1 -5.3 -10.4 580 327 B L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.900 110.2 48.9 -62.0 -41.2 6.1 -7.1 -13.1 581 328 B T H X S+ 0 0 39 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.945 109.9 51.1 -63.0 -47.6 8.4 -10.1 -12.8 582 329 B K H >< S+ 0 0 61 -4,-2.3 3,-0.7 -5,-0.2 4,-0.3 0.945 115.1 42.2 -54.6 -51.6 8.0 -10.1 -9.0 583 330 B F H >< S+ 0 0 5 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.904 107.8 62.7 -59.2 -43.1 4.2 -10.0 -9.3 584 331 B S H >X S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 4,-0.8 0.712 83.6 76.2 -61.7 -24.3 4.2 -12.6 -12.1 585 332 B Q H XX S+ 0 0 83 -4,-1.3 4,-2.7 -3,-0.7 3,-0.7 0.828 86.9 63.3 -57.3 -27.5 5.7 -15.3 -10.0 586 333 B F H <4>S+ 0 0 7 -3,-1.8 5,-0.5 -4,-0.3 -1,-0.3 0.577 93.1 60.0 -82.6 -5.2 2.3 -15.8 -8.4 587 334 B L H <45S+ 0 0 0 -3,-1.8 -284,-3.8 -4,-0.2 -1,-0.3 0.745 114.1 38.2 -79.1 -28.4 0.7 -16.9 -11.7 588 335 B N H <<5S+ 0 0 44 -4,-0.8 2,-0.5 -3,-0.7 -284,-0.3 0.916 131.1 24.9 -87.6 -51.2 3.2 -19.7 -11.7 589 336 B K T <5S- 0 0 164 -4,-2.7 -1,-0.3 -286,-0.1 3,-0.1 -0.971 101.3-108.5-118.0 116.5 3.2 -20.6 -8.0 590 337 B E T 5 - 0 0 83 -2,-0.5 2,-0.2 -3,-0.2 -3,-0.1 -0.042 32.5-105.9 -53.0 139.4 0.0 -19.5 -6.2 591 338 B Y < - 0 0 25 -5,-0.5 -1,-0.1 -25,-0.5 -25,-0.1 -0.423 28.8-160.2 -62.2 129.9 0.1 -16.6 -3.8 592 339 B N > - 0 0 67 -2,-0.2 4,-3.7 1,-0.1 5,-0.5 -0.958 6.7-154.9-115.4 110.7 -0.1 -17.7 -0.2 593 340 B P H > S+ 0 0 29 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.785 92.2 51.4 -56.3 -34.2 -1.2 -14.7 1.9 594 341 B I H 4 S+ 0 0 133 2,-0.1 3,-0.0 1,-0.1 -3,-0.0 0.980 124.3 23.8 -65.0 -54.3 0.4 -16.1 5.1 595 342 B T H 4 S+ 0 0 108 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.761 129.0 39.2 -88.6 -30.2 3.8 -16.7 3.5 596 343 B D H >< S+ 0 0 38 -4,-3.7 3,-2.5 1,-0.2 4,-0.4 0.452 78.6 111.8-102.5 -3.2 4.1 -14.3 0.6 597 344 B G G >< + 0 0 18 -4,-0.6 3,-0.8 -5,-0.5 4,-0.2 0.684 69.1 61.3 -46.6 -30.8 2.3 -11.3 2.2 598 345 B K G > S+ 0 0 159 -3,-0.2 3,-1.8 1,-0.2 4,-0.4 0.736 86.2 75.9 -73.0 -21.0 5.4 -9.1 2.3 599 346 B V G X S+ 0 0 21 -3,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.827 82.3 66.7 -61.8 -30.3 5.9 -9.1 -1.4 600 347 B I G < S+ 0 0 7 -3,-0.8 -29,-2.7 -4,-0.4 -1,-0.3 0.676 104.0 45.6 -67.1 -15.5 3.0 -6.6 -1.9 601 348 B Y G < S+ 0 0 83 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.439 93.4 84.9 -99.5 -3.4 5.1 -4.0 -0.2 602 349 B E < 0 0 93 -3,-1.6 -2,-0.1 -4,-0.4 -1,-0.1 0.289 360.0 360.0 -89.9 11.0 8.3 -4.9 -2.2 603 350 B L 0 0 65 -3,-0.2 -1,-0.2 -4,-0.1 -24,-0.1 0.756 360.0 360.0 -70.0 360.0 7.6 -2.7 -5.2 604 !* 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 0.0 605 504 C L 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.6 -5.3 -39.9 -13.3 606 505 C T > - 0 0 73 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.166 360.0-104.5 -69.7 172.7 -2.6 -39.1 -15.9 607 506 C E H > S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.952 123.1 46.7 -61.2 -49.6 -1.9 -35.6 -17.1 608 507 C A H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.840 111.0 52.3 -63.9 -35.1 -3.7 -36.2 -20.4 609 508 C E H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 108.9 48.4 -67.2 -48.6 -6.7 -37.8 -18.6 610 509 C K H X S+ 0 0 66 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.891 110.3 53.9 -59.3 -38.9 -7.3 -34.9 -16.2 611 510 C R H X S+ 0 0 95 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.927 110.5 44.1 -62.3 -46.6 -7.1 -32.5 -19.1 612 511 C R H X S+ 0 0 139 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.880 112.9 52.9 -67.8 -38.5 -9.8 -34.3 -21.2 613 512 C L H X S+ 0 0 61 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.947 111.4 44.0 -61.0 -50.0 -12.0 -34.7 -18.2 614 513 C L H X S+ 0 0 14 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.908 110.7 55.3 -64.9 -41.5 -11.9 -31.0 -17.2 615 514 C R H X S+ 0 0 53 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.938 111.7 44.8 -52.5 -48.2 -12.4 -29.9 -20.8 616 515 C E H X S+ 0 0 108 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.904 113.7 48.6 -66.1 -43.5 -15.5 -32.1 -20.9 617 516 C R H X S+ 0 0 117 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.914 111.4 49.4 -64.0 -44.1 -16.8 -30.9 -17.5 618 517 C R H X S+ 0 0 17 -4,-3.3 4,-0.6 1,-0.2 3,-0.2 0.941 114.3 46.7 -58.4 -45.9 -16.3 -27.2 -18.4 619 518 C Q H >X S+ 0 0 106 -4,-2.3 3,-1.3 -5,-0.3 4,-0.7 0.923 107.6 56.2 -62.0 -45.1 -18.1 -27.8 -21.7 620 519 C K H >< S+ 0 0 157 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.842 97.9 62.7 -58.5 -34.6 -21.0 -29.7 -20.0 621 520 C K H 3< S+ 0 0 55 -4,-1.7 -1,-0.3 1,-0.3 9,-0.2 0.764 109.9 39.2 -66.0 -23.8 -21.7 -26.7 -17.7 622 521 C F H <<>S+ 0 0 20 -3,-1.3 5,-0.7 -4,-0.6 -1,-0.3 0.467 94.6 111.0-101.9 -4.6 -22.6 -24.5 -20.6 623 522 C S T X<5S- 0 0 70 -3,-0.9 3,-2.5 -4,-0.7 4,-0.1 -0.313 84.4 -15.4 -73.8 156.4 -24.4 -27.2 -22.6 624 523 C N T 3 5S- 0 0 178 1,-0.3 3,-0.4 2,-0.1 4,-0.2 -0.316 138.4 -17.1 48.3-122.9 -28.2 -27.1 -23.2 625 524 C G T 3>5S+ 0 0 35 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.143 108.2 107.7 -96.1 18.8 -29.6 -24.7 -20.7 626 525 C G H <>5S+ 0 0 18 -3,-2.5 4,-2.6 1,-0.2 -4,-0.2 0.932 77.5 50.8 -59.9 -48.1 -26.5 -24.7 -18.5 627 526 C A H > S+ 0 0 77 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 111.8 51.7 -60.3 -42.1 -28.9 -19.6 -19.0 629 528 C S H X S+ 0 0 67 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.918 106.0 53.8 -60.2 -45.0 -29.0 -21.3 -15.5 630 529 C R H X S+ 0 0 7 -4,-2.6 4,-1.3 -9,-0.2 -1,-0.2 0.872 106.5 52.8 -59.3 -36.7 -25.5 -19.9 -14.6 631 530 C L H X S+ 0 0 35 -4,-1.7 4,-2.7 1,-0.2 3,-0.3 0.934 108.2 50.4 -65.5 -44.4 -26.7 -16.4 -15.4 632 531 C N H < S+ 0 0 111 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.874 106.3 54.2 -61.3 -39.9 -29.7 -16.7 -13.1 633 532 C K H < S+ 0 0 98 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.825 111.0 47.2 -67.5 -28.9 -27.6 -18.0 -10.2 634 533 C I H < 0 0 10 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.927 360.0 360.0 -73.4 -46.1 -25.5 -14.9 -10.6 635 534 C T < 0 0 98 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.888 360.0 360.0 -85.0 360.0 -28.5 -12.6 -10.8 636 !* 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 0.0 637 504 D L 0 0 159 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.6 -16.0 38.8 -10.7 638 505 D T > - 0 0 79 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.137 360.0-111.1 -66.0 164.4 -19.3 37.4 -12.0 639 506 D E H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.820 119.7 55.3 -66.0 -32.1 -19.8 33.7 -12.8 640 507 D A H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 110.0 44.8 -66.0 -44.4 -20.1 34.6 -16.5 641 508 D E H > S+ 0 0 89 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.932 115.3 47.5 -64.7 -46.8 -16.7 36.4 -16.4 642 509 D K H X S+ 0 0 75 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.895 109.2 53.7 -61.9 -42.2 -15.0 33.6 -14.4 643 510 D R H X S+ 0 0 86 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.929 111.9 46.1 -58.2 -42.7 -16.5 30.9 -16.8 644 511 D R H X S+ 0 0 167 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.910 112.3 49.6 -69.5 -41.9 -15.0 32.8 -19.7 645 512 D L H X S+ 0 0 55 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.931 111.6 48.4 -61.5 -46.8 -11.6 33.3 -18.0 646 513 D L H X S+ 0 0 14 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.866 110.3 52.6 -61.7 -36.0 -11.3 29.6 -17.1 647 514 D R H X S+ 0 0 80 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.944 109.8 46.9 -68.6 -45.9 -12.3 28.6 -20.6 648 515 D E H X S+ 0 0 109 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.893 112.6 51.7 -60.8 -40.4 -9.6 30.7 -22.2 649 516 D R H X S+ 0 0 124 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.949 107.7 50.9 -63.2 -49.1 -7.0 29.4 -19.7 650 517 D R H >X S+ 0 0 9 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.946 111.9 47.4 -52.0 -51.2 -7.8 25.8 -20.4 651 518 D Q H >< S+ 0 0 84 -4,-2.2 3,-1.3 1,-0.2 4,-0.4 0.906 107.9 55.9 -61.2 -40.4 -7.4 26.3 -24.1 652 519 D K H >< S+ 0 0 165 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.827 97.0 63.1 -64.0 -32.2 -4.2 28.1 -23.8 653 520 D K H << S+ 0 0 64 -4,-1.7 -1,-0.3 -3,-0.5 9,-0.2 0.762 107.1 44.9 -63.6 -23.0 -2.5 25.3 -21.8 654 521 D F T << S+ 0 0 27 -3,-1.3 5,-0.4 -4,-0.6 -1,-0.3 0.409 99.9 90.6-102.6 1.0 -2.9 23.1 -24.9 655 522 D S S X S+ 0 0 59 -3,-1.2 3,-1.2 -4,-0.4 -3,-0.0 -0.642 81.7 15.2 -97.8 154.3 -1.7 25.7 -27.4 656 523 D N T 3 S- 0 0 168 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.913 134.9 -41.9 55.7 61.1 1.8 26.3 -28.7 657 524 D G T 3> S+ 0 0 50 -3,-0.2 4,-2.2 1,-0.1 -1,-0.3 0.398 110.7 116.3 70.5 -5.0 3.8 23.3 -27.6 658 525 D G H <> S+ 0 0 18 -3,-1.2 4,-2.3 1,-0.2 5,-0.1 0.839 70.8 58.1 -61.5 -33.3 2.0 23.4 -24.3 659 526 D A H > S+ 0 0 25 -5,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.958 109.2 40.3 -61.4 -53.9 0.4 20.0 -25.2 660 527 D S H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 113.3 57.0 -65.5 -35.7 3.7 18.2 -25.6 661 528 D S H X S+ 0 0 70 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.922 105.3 50.4 -59.4 -44.1 5.1 20.0 -22.6 662 529 D R H X S+ 0 0 17 -4,-2.3 4,-1.8 -9,-0.2 -1,-0.2 0.905 110.4 49.5 -61.9 -43.5 2.2 18.7 -20.4 663 530 D L H X S+ 0 0 28 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.931 109.6 51.4 -60.8 -45.9 2.9 15.1 -21.6 664 531 D N H X S+ 0 0 99 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.857 106.1 56.1 -58.2 -37.1 6.6 15.4 -20.8 665 532 D K H X S+ 0 0 62 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.923 111.2 43.3 -62.1 -42.4 5.7 16.7 -17.4 666 533 D I H X S+ 0 0 1 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.971 123.0 34.5 -69.0 -54.2 3.7 13.5 -16.7 667 534 D T H >< S+ 0 0 54 -4,-2.7 3,-1.2 1,-0.2 -3,-0.2 0.930 115.5 57.1 -66.0 -45.5 6.1 10.9 -18.2 668 535 D G H 3< S+ 0 0 62 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.841 109.6 45.4 -54.5 -36.2 9.2 12.9 -17.1 669 536 D Q H 3< S+ 0 0 118 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.577 96.8 94.2 -88.7 -7.4 8.1 12.8 -13.5 670 537 D A << 0 0 22 -3,-1.2 -3,-0.0 -4,-0.6 -4,-0.0 -0.513 360.0 360.0 -83.8 152.3 7.1 9.1 -13.5 671 538 D S 0 0 125 -2,-0.2 -1,-0.1 -95,-0.0 -2,-0.1 -0.370 360.0 360.0 -61.4 360.0 9.4 6.2 -12.4