==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-MAY-07 2PS2 . COMPND 2 MOLECULE: PUTATIVE MANDELATE RACEMASE/MUCONATE LACTONIZING . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE RIB40; . AUTHOR A.A.FEDOROV,R.TORO,E.V.FEDOROV,J.M.SAUDER,S.K.BURLEY,S.C.ALM . 1444 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1027 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 9.1 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 3 0.2 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 . 114 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 422 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 12 0 0 0 4 2 6 15 1 3 4 1 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 12 4 4 8 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 . 10 12 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 4 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 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 3 A D 0 0 156 0, 0.0 2,-0.3 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 -28.3 39.4 35.1 198.4 2 4 A L + 0 0 12 71,-0.1 2,-0.3 34,-0.1 75,-0.2 -0.951 360.0 175.4-149.4 125.4 40.7 34.3 194.9 3 5 A K - 0 0 95 -2,-0.3 33,-1.9 72,-0.2 2,-0.6 -0.959 36.7-109.3-136.1 153.0 40.2 36.5 191.8 4 6 A I E +A 35 0A 2 70,-2.0 69,-2.7 67,-0.3 31,-0.2 -0.685 36.9 171.4 -78.1 121.3 41.2 36.7 188.2 5 7 A A E + 0 0 53 29,-2.4 2,-0.3 -2,-0.6 30,-0.2 0.735 60.7 11.1-102.5 -28.7 43.5 39.7 187.9 6 8 A R E -A 34 0A 119 28,-1.8 28,-2.3 2,-0.0 2,-0.5 -0.998 49.6-161.1-154.8 145.8 44.8 39.4 184.4 7 9 A I E -A 33 0A 0 355,-2.7 355,-2.1 -2,-0.3 2,-0.4 -0.959 18.1-172.2-129.8 111.0 44.2 37.5 181.2 8 10 A D E -AB 32 361A 1 24,-2.8 24,-2.6 -2,-0.5 2,-0.5 -0.880 8.9-151.3-108.3 137.9 47.1 37.4 178.7 9 11 A V E -AB 31 360A 3 351,-3.0 350,-3.0 -2,-0.4 351,-1.2 -0.909 11.5-172.9-112.1 130.3 46.9 36.0 175.2 10 12 A F E -A 30 0A 8 20,-3.5 20,-2.6 -2,-0.5 2,-0.4 -0.870 11.0-148.8-118.5 152.9 49.8 34.6 173.3 11 13 A Q E -A 29 0A 51 344,-0.5 2,-0.4 -2,-0.3 18,-0.2 -0.981 15.3-178.6-124.0 132.1 50.1 33.4 169.6 12 14 A V E -A 28 0A 7 16,-2.3 16,-2.8 -2,-0.4 2,-0.5 -0.990 23.7-136.0-135.6 129.1 52.4 30.6 168.5 13 15 A D E -A 27 0A 96 -2,-0.4 14,-0.2 14,-0.2 -2,-0.0 -0.700 21.3-163.0 -80.8 127.3 52.9 29.2 165.0 14 16 A L E -A 26 0A 0 12,-3.4 12,-3.5 -2,-0.5 3,-0.1 -0.899 12.2-139.3-116.7 102.6 53.0 25.4 165.2 15 17 A P - 0 0 52 0, 0.0 308,-1.5 0, 0.0 2,-0.4 -0.292 25.4-109.4 -60.2 140.9 54.5 23.8 162.1 16 18 A Y B > -D 322 0B 49 3,-0.4 3,-1.7 306,-0.2 306,-0.3 -0.571 16.2-146.8 -73.8 126.5 52.8 20.6 160.9 17 19 A S T 3 S+ 0 0 63 304,-2.0 -1,-0.2 -2,-0.4 305,-0.1 0.703 98.9 61.2 -66.8 -18.5 54.9 17.5 161.6 18 20 A G T 3 S- 0 0 46 303,-0.4 2,-1.9 1,-0.2 -1,-0.3 0.252 106.2-129.2 -92.1 13.2 53.5 16.1 158.4 19 21 A G S < S+ 0 0 53 -3,-1.7 2,-0.4 2,-0.0 -3,-0.4 -0.544 80.2 10.9 78.7 -82.6 55.0 18.8 156.3 20 22 A V - 0 0 90 -2,-1.9 2,-0.6 -3,-0.1 -3,-0.0 -0.996 67.2-146.6-135.4 129.1 51.9 19.9 154.4 21 23 A Y - 0 0 87 -2,-0.4 2,-0.5 2,-0.1 -2,-0.0 -0.846 17.2-150.9 -96.1 122.7 48.3 18.8 155.0 22 24 A Y 0 0 183 -2,-0.6 -2,-0.0 1,-0.0 0, 0.0 -0.830 360.0 360.0 -99.9 126.9 46.2 18.5 151.8 23 25 A L 0 0 170 -2,-0.5 28,-0.1 0, 0.0 -2,-0.1 -0.150 360.0 360.0 44.5 360.0 42.5 19.1 151.9 24 ! 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 25 33 A S 0 0 104 0, 0.0 2,-0.3 0, 0.0 297,-0.1 0.000 360.0 360.0 360.0 163.5 51.4 25.2 160.2 26 34 A F E -A 14 0A 21 -12,-3.5 -12,-3.4 22,-0.0 2,-0.9 -0.779 360.0-130.7-103.8 145.6 48.8 25.8 162.8 27 35 A D E -A 13 0A 40 -2,-0.3 2,-0.3 20,-0.3 -14,-0.2 -0.819 30.0-162.1 -96.4 101.5 48.0 29.1 164.5 28 36 A A E -A 12 0A 0 -16,-2.8 -16,-2.3 -2,-0.9 2,-0.5 -0.650 10.7-156.3 -90.9 139.7 47.8 28.4 168.2 29 37 A T E -AC 11 45A 0 16,-1.5 16,-2.3 -2,-0.3 2,-0.4 -0.965 14.3-174.1-113.9 120.4 46.2 30.6 170.8 30 38 A I E -AC 10 44A 0 -20,-2.6 -20,-3.5 -2,-0.5 2,-0.4 -0.959 5.5-159.1-119.3 132.8 47.6 30.2 174.3 31 39 A V E -AC 9 43A 0 12,-2.8 12,-1.8 -2,-0.4 2,-0.5 -0.922 6.7-165.3-117.1 136.0 46.1 32.0 177.4 32 40 A R E -AC 8 42A 48 -24,-2.6 -24,-2.8 -2,-0.4 2,-0.5 -0.977 7.0-164.9-117.8 125.2 47.7 32.7 180.8 33 41 A I E -AC 7 41A 0 8,-2.5 8,-2.7 -2,-0.5 2,-0.5 -0.938 3.3-164.5-110.3 130.8 45.4 33.7 183.6 34 42 A T E -AC 6 40A 23 -28,-2.3 -29,-2.4 -2,-0.5 -28,-1.8 -0.962 10.9-142.2-116.1 131.3 47.0 35.3 186.7 35 43 A T E > -A 4 0A 4 4,-2.6 3,-1.3 -2,-0.5 -31,-0.2 -0.299 30.6-104.8 -83.1 173.2 45.1 35.5 190.0 36 44 A D T 3 S+ 0 0 86 -33,-1.9 -32,-0.1 1,-0.3 -1,-0.1 0.757 123.9 55.1 -69.2 -21.3 45.3 38.5 192.3 37 45 A T T 3 S- 0 0 85 -34,-0.3 -1,-0.3 2,-0.1 -33,-0.1 0.406 123.9-102.9 -91.1 1.6 47.5 36.2 194.6 38 46 A G S < S+ 0 0 47 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.393 70.6 143.7 96.6 -4.6 49.9 35.5 191.8 39 47 A I - 0 0 42 -5,-0.1 -4,-2.6 1,-0.0 2,-0.4 -0.506 35.5-152.5 -71.6 135.6 48.9 32.0 190.7 40 48 A E E -C 34 0A 79 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.925 12.5-174.0-114.7 136.2 49.2 31.4 187.0 41 49 A G E -C 33 0A 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.3 -0.934 8.4-151.1-125.9 150.5 47.2 29.0 184.9 42 50 A W E +C 32 0A 5 -2,-0.3 2,-0.3 60,-0.3 -10,-0.2 -0.935 16.5 166.5-127.3 148.3 47.5 28.1 181.2 43 51 A G E -C 31 0A 0 -12,-1.8 -12,-2.8 -2,-0.3 2,-0.3 -0.974 14.5-151.3-150.6 160.0 45.2 26.9 178.5 44 52 A E E -C 30 0A 2 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.966 12.0-174.5-139.3 153.4 45.2 26.5 174.7 45 53 A S E +C 29 0A 0 -16,-2.3 -16,-1.5 -2,-0.3 247,-0.1 -0.885 13.0 170.3-147.4 111.2 42.9 26.5 171.7 46 54 A T - 0 0 0 245,-0.6 245,-0.2 -2,-0.3 -18,-0.2 -0.874 21.3-147.3-130.4 98.7 44.3 25.6 168.3 47 55 A P - 0 0 4 0, 0.0 2,-1.6 0, 0.0 -20,-0.3 -0.219 21.0-121.6 -61.8 149.1 41.8 25.1 165.4 48 56 A F S >> S- 0 0 32 1,-0.1 4,-0.8 -22,-0.1 3,-0.5 -0.667 74.1 -67.0 -90.5 78.2 42.5 22.6 162.7 49 57 A G T 34 - 0 0 35 -2,-1.6 4,-0.2 1,-0.2 -1,-0.1 -0.331 68.4 -77.8 69.6-156.7 42.4 25.2 160.0 50 58 A S T 34 S+ 0 0 88 6,-0.1 -1,-0.2 -3,-0.1 5,-0.2 0.182 119.7 69.3-126.6 14.1 39.0 26.9 159.4 51 59 A N T <4 S+ 0 0 110 -3,-0.5 -2,-0.1 3,-0.1 3,-0.1 0.551 82.5 70.0-107.7 -14.9 37.4 24.0 157.3 52 60 A Y S < S- 0 0 33 -4,-0.8 2,-0.3 3,-0.2 -3,-0.1 0.985 118.0 -22.0 -67.4 -60.7 37.0 21.4 160.0 53 61 A I S S- 0 0 38 2,-0.3 2,-2.9 -4,-0.2 -1,-0.2 -0.801 93.4 -64.9-139.4 178.6 34.3 23.0 162.0 54 62 A A S S+ 0 0 111 -2,-0.3 2,-0.3 -3,-0.1 39,-0.1 -0.388 99.5 103.6 -71.4 71.1 33.0 26.6 162.4 55 63 A S + 0 0 10 -2,-2.9 -2,-0.3 -5,-0.2 -3,-0.2 -0.988 39.6 170.2-155.4 140.9 36.2 27.7 164.0 56 64 A H >> - 0 0 85 -2,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.989 43.4-108.7-150.9 151.9 39.4 29.7 163.0 57 65 A P H 3> S+ 0 0 22 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.884 118.9 48.5 -45.4 -52.8 42.4 31.2 164.8 58 66 A R H 3> S+ 0 0 191 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.847 110.7 53.8 -59.6 -34.2 41.3 34.8 164.3 59 67 A G H <> S+ 0 0 12 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.854 104.1 54.3 -69.0 -37.0 37.9 33.8 165.6 60 68 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.948 113.3 41.5 -62.2 -49.6 39.3 32.2 168.8 61 69 A R H X S+ 0 0 53 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.870 112.9 53.4 -68.3 -35.4 41.2 35.4 169.7 62 70 A A H X S+ 0 0 57 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.900 108.8 50.8 -65.2 -39.5 38.3 37.7 168.7 63 71 A G H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.879 108.9 50.7 -65.1 -38.4 36.0 35.7 171.0 64 72 A I H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.916 106.4 55.6 -65.6 -41.2 38.4 36.0 173.9 65 73 A A H < S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 109.7 46.5 -58.7 -39.0 38.6 39.8 173.3 66 74 A T H < S+ 0 0 87 -4,-1.7 4,-0.3 -5,-0.1 -1,-0.2 0.867 122.4 34.0 -73.0 -35.1 34.8 40.0 173.7 67 75 A M H >X S+ 0 0 0 -4,-1.8 3,-1.3 -5,-0.1 4,-0.6 0.885 98.3 76.5 -87.9 -44.3 34.6 37.8 176.8 68 76 A A H >X S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.3 4,-0.9 0.806 88.3 57.8 -38.3 -53.5 37.8 38.5 178.8 69 77 A P H >4 S+ 0 0 74 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.887 103.6 54.6 -49.9 -42.3 36.8 41.9 180.3 70 78 A S H <4 S+ 0 0 75 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.621 103.8 57.1 -67.4 -14.4 33.7 40.3 181.9 71 79 A L H X< S+ 0 0 0 -3,-2.0 3,-2.2 -4,-0.6 -67,-0.3 0.687 74.6 111.1 -92.3 -20.3 35.8 37.7 183.7 72 80 A I T << S+ 0 0 66 -4,-0.9 -67,-0.2 -3,-0.8 3,-0.1 -0.317 83.3 22.7 -57.2 130.2 38.2 40.0 185.6 73 81 A G T 3 S+ 0 0 34 -69,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.297 94.4 122.0 96.5 -10.7 37.4 39.7 189.3 74 82 A L S < S- 0 0 61 -3,-2.2 -70,-2.0 -70,-0.1 -1,-0.3 -0.510 72.0-104.8 -86.3 156.4 35.8 36.3 189.2 75 83 A D > - 0 0 15 -72,-0.2 3,-1.4 -2,-0.2 -72,-0.2 -0.705 24.3-156.7 -81.4 111.9 37.0 33.3 191.2 76 84 A P T 3 S+ 0 0 0 0, 0.0 32,-0.2 0, 0.0 -1,-0.2 0.717 88.5 67.4 -62.6 -19.9 38.7 31.0 188.7 77 85 A R T 3 S+ 0 0 73 1,-0.2 2,-2.1 -75,-0.2 3,-0.2 0.764 81.9 76.5 -71.3 -26.1 38.1 28.0 191.0 78 86 A R X> + 0 0 161 -3,-1.4 4,-2.5 1,-0.2 3,-0.5 -0.447 64.8 170.9 -83.5 65.3 34.3 28.2 190.4 79 87 A V H 3> S+ 0 0 8 -2,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.808 70.9 48.4 -48.8 -41.4 34.7 26.6 187.0 80 88 A D H 3> S+ 0 0 35 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 112.9 48.2 -70.5 -36.6 31.0 26.2 186.3 81 89 A R H <> S+ 0 0 143 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.864 108.9 54.9 -69.3 -35.0 30.2 29.8 187.3 82 90 A I H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.913 109.4 47.2 -62.8 -42.3 33.1 30.9 185.1 83 91 A N H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.887 108.8 53.9 -67.0 -37.8 31.5 29.1 182.1 84 92 A D H X S+ 0 0 59 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 109.6 49.5 -61.3 -40.7 28.1 30.6 183.0 85 93 A A H X S+ 0 0 20 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.901 109.4 50.0 -65.2 -42.3 29.8 34.0 182.8 86 94 A M H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.4 0.920 110.5 51.4 -63.1 -40.3 31.4 33.3 179.5 87 95 A D H < S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.853 106.1 54.5 -63.6 -35.2 28.0 32.2 178.2 88 96 A D H < S+ 0 0 145 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.798 113.1 43.2 -69.7 -25.6 26.5 35.4 179.4 89 97 A A H < S+ 0 0 33 -4,-1.3 2,-0.3 -3,-0.4 -2,-0.2 0.737 130.3 7.0 -90.3 -25.9 29.0 37.4 177.4 90 98 A L < - 0 0 36 -4,-1.8 -1,-0.3 -5,-0.1 2,-0.2 -0.881 68.2-132.2-162.3 125.6 29.0 35.3 174.2 91 99 A L S S- 0 0 143 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.0 -0.506 75.4 -14.5 -79.0 146.3 26.9 32.5 172.9 92 100 A G S S+ 0 0 30 -2,-0.2 5,-0.1 1,-0.1 -2,-0.1 -0.399 74.2 126.2 65.7-138.0 28.6 29.4 171.3 93 101 A H >> + 0 0 87 -39,-0.1 4,-1.9 1,-0.1 3,-0.7 0.886 25.2 167.7 49.6 47.7 32.3 29.9 170.5 94 102 A E H 3> S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.877 73.7 61.0 -56.9 -35.8 33.4 26.9 172.5 95 103 A D H 3> S+ 0 0 13 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.864 106.4 43.8 -60.9 -37.0 36.8 27.3 170.8 96 104 A A H <> S+ 0 0 0 -3,-0.7 4,-0.5 1,-0.2 -1,-0.2 0.820 114.1 50.5 -77.6 -31.2 37.3 30.8 172.3 97 105 A K H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 3,-0.4 0.815 94.8 76.3 -75.3 -29.8 36.1 29.7 175.7 98 106 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 165,-0.2 170,-0.3 0.882 90.4 48.3 -48.7 -58.6 38.4 26.7 175.9 99 107 A A H X S+ 0 0 0 -4,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.847 113.9 48.9 -56.3 -36.8 41.8 28.3 176.7 100 108 A I H X S+ 0 0 0 -4,-0.5 4,-1.8 -3,-0.4 -1,-0.2 0.938 112.2 47.3 -69.4 -46.9 40.2 30.4 179.4 101 109 A D H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.939 111.7 50.1 -60.2 -48.0 38.5 27.4 181.0 102 110 A V H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -60,-0.3 0.896 108.5 53.1 -58.5 -41.2 41.5 25.2 180.9 103 111 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.867 106.0 53.8 -62.7 -36.9 43.7 27.9 182.5 104 112 A C H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.900 107.6 50.5 -65.0 -39.2 41.2 28.2 185.4 105 113 A W H X S+ 0 0 5 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.894 108.1 53.0 -64.9 -37.7 41.5 24.5 186.0 106 114 A D H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.952 113.3 43.3 -60.4 -49.8 45.3 24.8 186.0 107 115 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.929 111.9 54.9 -60.0 -47.3 44.9 27.6 188.7 108 116 A F H X S+ 0 0 41 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.938 110.1 45.0 -52.2 -53.4 42.3 25.5 190.5 109 117 A G H X>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 4,-0.7 0.883 113.8 49.6 -61.5 -39.5 44.6 22.5 190.8 110 118 A K H <5S+ 0 0 62 -4,-2.1 3,-0.5 234,-0.2 -1,-0.2 0.887 105.3 58.6 -67.1 -37.4 47.6 24.6 191.9 111 119 A S H <5S+ 0 0 41 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.777 118.6 29.2 -64.5 -28.5 45.5 26.4 194.5 112 120 A V H <5S- 0 0 74 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.337 111.0-116.5-111.7 4.0 44.7 23.1 196.3 113 121 A G T <5S+ 0 0 41 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.858 72.3 123.5 65.1 38.8 47.9 21.3 195.3 114 122 A L < - 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0 0 66 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.417 36.5 -91.9 -78.0 159.0 -15.4 29.8 170.3 570 215 B H T 3 S+ 0 0 127 1,-0.2 723,-0.1 -2,-0.1 3,-0.1 -0.342 102.7 46.6 -69.3 150.2 -16.5 26.5 171.8 571 216 B G T 3 + 0 0 32 721,-0.5 2,-0.7 1,-0.3 -1,-0.2 0.383 68.2 131.5 102.0 -4.9 -19.7 24.9 170.6 572 217 B L < - 0 0 24 -3,-0.8 2,-0.7 720,-0.1 -1,-0.3 -0.751 42.2-156.8 -87.1 115.7 -19.3 25.1 166.8 573 218 B D + 0 0 5 -2,-0.7 -25,-0.4 -34,-0.2 2,-0.3 -0.813 38.0 112.4 -99.4 108.4 -20.0 21.7 165.3 574 219 B F - 0 0 2 -2,-0.7 2,-0.4 -27,-0.1 -25,-0.2 -0.969 56.1-117.0-160.7 171.2 -18.5 21.1 161.9 575 220 B A E -a 549 0L 0 -27,-1.8 -25,-2.6 -2,-0.3 2,-0.7 -0.913 30.1-126.0-116.0 146.5 -15.9 19.2 159.9 576 221 B L E -ab 550 597L 3 20,-3.2 22,-2.6 -2,-0.4 2,-0.4 -0.846 23.8-159.6 -99.1 114.8 -13.0 20.9 158.2 577 222 B E E -ab 551 598L 5 -27,-2.8 -25,-2.2 -2,-0.7 -24,-0.5 -0.792 64.4 -16.8 -99.0 133.4 -12.6 20.2 154.5 578 223 B A + 0 0 7 20,-2.9 -24,-3.3 -2,-0.4 -23,-0.3 0.907 69.9 174.8 44.0 61.9 -9.4 20.7 152.5 579 224 B P + 0 0 0 0, 0.0 -23,-1.9 0, 0.0 2,-0.3 0.950 60.2 25.6 -61.2 -49.6 -7.7 23.0 155.0 580 225 B C B S-F 555 0M 3 -25,-0.2 -25,-0.2 2,-0.1 -23,-0.1 -0.767 73.8-121.9-118.6 162.7 -4.3 23.2 153.3 581 226 B A S S+ 0 0 61 -27,-0.6 2,-0.3 -25,-0.5 -24,-0.1 0.776 87.8 48.4 -72.2 -31.0 -3.0 22.9 149.7 582 227 B T S > S- 0 0 36 1,-0.1 4,-2.3 -28,-0.1 5,-0.2 -0.784 76.9-122.2-116.7 160.9 -0.5 20.1 150.1 583 228 B W H > S+ 0 0 40 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.926 113.2 53.1 -60.8 -46.2 -0.4 16.6 151.7 584 229 B R H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 110.1 47.9 -56.8 -45.8 2.5 17.6 154.0 585 230 B E H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 110.7 50.2 -62.7 -44.5 0.7 20.6 155.3 586 231 B C H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.875 112.1 48.1 -63.7 -35.5 -2.5 18.7 155.9 587 232 B I H X S+ 0 0 21 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.918 110.5 51.3 -69.2 -43.5 -0.6 16.1 157.8 588 233 B S H < S+ 0 0 20 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.906 113.9 44.5 -58.8 -42.8 1.2 18.7 159.9 589 234 B L H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 4,-0.3 0.920 106.6 60.0 -66.9 -45.8 -2.1 20.3 160.8 590 235 B R H >< S+ 0 0 15 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.843 100.7 56.4 -49.8 -39.3 -3.7 17.0 161.5 591 236 B R T 3< S+ 0 0 197 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.631 110.6 44.5 -71.3 -13.4 -1.1 16.4 164.2 592 237 B K T < S+ 0 0 110 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.2 0.209 110.4 49.7-117.7 14.8 -2.1 19.6 166.0 593 238 B T < - 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0 0 1 -6,-0.3 -20,-0.2 1,-0.1 3,-0.1 -0.937 52.5-124.6-154.7 175.9 -8.6 12.2 157.7 619 264 B E S S- 0 0 4 -22,-2.8 28,-2.0 -2,-0.3 2,-0.3 0.460 87.6 -22.3-103.8 -8.4 -12.1 11.1 158.7 620 265 B G E -cd 598 647L 0 -23,-0.9 -21,-2.2 26,-0.3 2,-0.3 -0.986 60.6-112.6 179.5-179.3 -13.7 11.2 155.3 621 266 B I E -cd 599 648L 1 26,-2.3 28,-1.9 -2,-0.3 2,-0.8 -0.922 16.1-129.1-137.3 161.4 -13.6 12.4 151.7 622 267 B D E - d 0 649L 0 -23,-2.5 2,-1.0 -2,-0.3 28,-0.2 -0.926 33.8-155.6-107.3 99.3 -15.6 14.6 149.3 623 268 B L E - d 0 650L 2 26,-2.8 28,-2.1 -2,-0.8 2,-0.6 -0.710 11.5-173.1 -85.4 102.8 -15.9 12.2 146.4 624 269 B K E >> - d 0 651L 30 -2,-1.0 4,-2.5 -21,-0.3 3,-1.3 -0.863 22.9-136.8 -97.7 121.2 -16.3 14.2 143.2 625 270 B I H 3>>S+ 0 0 0 26,-1.8 5,-2.3 -2,-0.6 4,-1.9 0.865 101.2 43.5 -41.8 -54.8 -17.1 12.0 140.3 626 271 B S H 345S+ 0 0 2 1,-0.2 -165,-0.3 2,-0.2 -1,-0.3 0.691 114.6 50.1 -72.1 -17.1 -14.8 13.7 137.8 627 272 B K H <45S+ 0 0 12 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.790 111.5 48.8 -86.9 -30.7 -11.9 14.1 140.3 628 273 B A H <5S- 0 0 2 -4,-2.5 -22,-0.3 -171,-0.1 -2,-0.2 0.820 119.8-109.5 -75.9 -32.4 -12.2 10.4 141.2 629 274 B G T <5 - 0 0 0 -4,-1.9 2,-0.2 -5,-0.3 -3,-0.2 0.550 65.8 -54.4 114.1 11.6 -12.2 9.3 137.6 630 275 B G S > S+ 0 0 0 -170,-0.3 4,-2.4 -2,-0.2 -1,-0.2 0.816 128.5 56.1 -72.3 -32.3 -18.2 5.7 138.6 632 277 B T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.964 114.2 38.4 -66.3 -49.7 -15.8 2.7 138.4 633 278 B R H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.840 113.1 58.5 -68.7 -29.9 -13.2 4.5 140.5 634 279 B G H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.913 106.5 48.2 -63.1 -40.3 -16.0 6.0 142.6 635 280 B R H X S+ 0 0 48 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 111.0 50.3 -65.0 -44.1 -17.0 2.4 143.4 636 281 B R H X S+ 0 0 39 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.958 114.8 43.4 -58.5 -51.2 -13.4 1.5 144.3 637 282 B Q H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.873 109.5 57.4 -62.9 -39.0 -13.0 4.5 146.5 638 283 B R H X S+ 0 0 20 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.939 108.2 47.0 -57.5 -47.7 -16.5 4.0 148.1 639 284 B D H X S+ 0 0 75 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.867 110.5 51.5 -65.0 -36.7 -15.5 0.5 149.1 640 285 B I H X S+ 0 0 38 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.945 113.7 45.3 -64.6 -45.8 -12.1 1.6 150.6 641 286 B C H X>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-2.3 0.922 113.3 47.9 -63.5 -46.5 -13.9 4.3 152.6 642 287 B L H <5S+ 0 0 56 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.9 53.2 -64.0 -37.0 -16.7 2.0 153.9 643 288 B A H <5S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.849 115.9 41.1 -65.7 -32.0 -14.2 -0.7 154.9 644 289 B A H <5S- 0 0 9 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.755 113.3-110.9 -88.0 -27.1 -12.3 1.9 156.9 645 290 B G T <5 + 0 0 22 -4,-2.3 639,-0.3 1,-0.3 2,-0.3 0.610 64.5 150.2 102.7 16.1 -15.2 3.8 158.5 646 291 B Y < - 0 0 5 -5,-2.3 -1,-0.3 -6,-0.2 -26,-0.3 -0.619 45.4-122.2 -83.7 142.6 -14.6 7.0 156.5 647 292 B S E -d 620 0L 4 -28,-2.0 -26,-2.3 -2,-0.3 2,-0.4 -0.455 25.9-153.9 -79.7 156.4 -17.6 9.3 155.6 648 293 B V E -de 621 675L 0 26,-2.9 28,-2.2 -28,-0.2 2,-0.4 -0.985 13.5-169.8-139.6 126.7 -18.3 10.0 152.0 649 294 B S E -d 622 0L 7 -28,-1.9 -26,-2.8 -2,-0.4 2,-0.7 -0.918 18.3-145.0-109.0 137.9 -20.0 13.0 150.3 650 295 B V E +de 623 678L 0 27,-1.7 29,-1.5 -2,-0.4 -26,-0.2 -0.918 41.0 133.4-109.6 113.9 -20.8 12.6 146.6 651 296 B Q E -d 624 0L 15 -28,-2.1 -26,-1.8 -2,-0.7 2,-0.3 -0.531 42.1-122.9-135.0-160.2 -20.4 15.8 144.7 652 297 B E - 0 0 1 -28,-0.3 3,-0.1 -2,-0.2 -28,-0.1 -0.981 24.3-119.4-153.0 153.2 -18.9 17.1 141.4 653 298 B T S S- 0 0 12 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.949 93.0 -51.1 -56.6 -45.6 -16.4 19.8 140.5 654 299 B C S S+ 0 0 0 -245,-0.2 -245,-0.6 -3,-0.1 -1,-0.3 -0.918 77.6 142.9-178.2 167.7 -19.4 21.2 138.5 655 300 B G - 0 0 0 26,-0.5 29,-0.3 -2,-0.3 30,-0.2 -0.845 35.9-105.4 158.8 165.0 -21.8 19.9 136.0 656 301 B S > - 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0 0 21 -5,-2.3 -1,-0.3 1,-0.1 -23,-0.1 -0.400 22.2-172.0 -64.8 137.5 30.6 8.0 129.8 881 163 C K + 0 0 63 -25,-0.9 29,-2.7 181,-0.3 2,-0.4 0.333 67.9 59.0-111.8 3.5 30.9 8.2 133.6 882 164 C G E -pq 857 910S 0 -26,-1.0 -24,-2.1 27,-0.2 2,-0.4 -0.993 62.3-171.2-133.2 140.3 27.2 7.6 134.4 883 165 C Q E -pq 858 911S 0 27,-2.6 29,-2.8 -2,-0.4 2,-0.7 -0.994 11.1-157.8-136.7 130.8 25.1 4.6 133.4 884 166 C S E -pq 859 912S 5 -26,-1.0 -24,-2.9 -2,-0.4 2,-0.7 -0.904 12.0-162.3-110.7 108.0 21.4 4.1 133.7 885 167 C V E -pq 860 913S 0 27,-3.6 29,-2.3 -2,-0.7 2,-0.2 -0.793 9.1-150.0 -93.0 112.8 20.4 0.4 133.7 886 168 C K E - q 0 914S 26 -26,-2.2 2,-0.3 -2,-0.7 -23,-0.3 -0.542 12.0-167.1 -83.0 145.1 16.7 -0.3 132.9 887 169 C I - 0 0 0 27,-1.5 -25,-0.1 -2,-0.2 31,-0.1 -0.875 20.1-139.3-127.9 162.7 14.9 -3.2 134.3 888 170 C S - 0 0 41 -2,-0.3 -1,-0.1 2,-0.2 27,-0.0 0.677 46.9-102.3 -97.9 -21.6 11.5 -4.8 133.5 889 171 C G S S+ 0 0 9 1,-0.2 31,-0.2 34,-0.1 38,-0.0 0.498 85.3 119.3 109.5 5.3 10.0 -5.7 136.9 890 172 C E > - 0 0 127 1,-0.2 4,-3.0 29,-0.1 5,-0.2 -0.893 52.5-156.4-105.5 99.8 10.8 -9.4 136.7 891 173 C P H > S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.812 83.3 48.1 -43.5 -52.7 13.0 -10.0 139.7 892 174 C V H > S+ 0 0 73 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.959 119.6 37.3 -61.6 -52.3 14.9 -13.2 138.7 893 175 C T H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 115.4 55.3 -67.5 -38.5 15.8 -12.0 135.2 894 176 C D H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.872 103.8 54.9 -62.8 -35.8 16.4 -8.4 136.4 895 177 C A H X S+ 0 0 8 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.926 110.3 45.9 -62.8 -42.6 18.9 -9.6 139.0 896 178 C K H X S+ 0 0 129 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.895 111.7 52.8 -66.5 -38.7 20.9 -11.3 136.2 897 179 C R H X S+ 0 0 35 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.936 111.8 44.4 -61.1 -48.7 20.6 -8.2 134.1 898 180 C I H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.914 111.7 53.1 -63.3 -43.7 22.0 -6.0 136.9 899 181 C T H < S+ 0 0 55 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.914 115.2 40.7 -59.2 -43.4 24.8 -8.4 137.7 900 182 C A H >< S+ 0 0 9 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.916 112.2 54.6 -72.4 -42.5 25.9 -8.5 134.1 901 183 C A H 3< S+ 0 0 3 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.822 114.3 40.7 -61.3 -32.7 25.5 -4.8 133.4 902 184 C L T >< S+ 0 0 4 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.3 0.324 80.9 118.1 -97.9 6.2 27.7 -3.9 136.4 903 185 C A T < S+ 0 0 46 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.825 88.3 21.0 -41.2 -51.1 30.3 -6.6 135.7 904 186 C N T 3 S+ 0 0 84 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.032 84.3 161.5-114.1 34.5 33.2 -4.3 135.1 905 187 C Q < - 0 0 40 -3,-2.1 -3,-0.1 1,-0.1 6,-0.0 -0.262 28.2-141.3 -58.0 137.6 32.0 -1.2 136.8 906 188 C Q > - 0 0 87 1,-0.1 3,-1.6 -25,-0.0 -1,-0.1 -0.578 20.7-109.5-101.0 162.5 34.9 1.2 137.6 907 189 C P T 3 S+ 0 0 68 0, 0.0 -741,-0.3 0, 0.0 -740,-0.2 0.715 116.4 53.6 -60.9 -23.1 35.6 3.5 140.6 908 190 C D T 3 S+ 0 0 87 -742,-0.1 2,-0.3 2,-0.0 -3,-0.0 0.194 93.9 90.6-100.0 17.1 34.9 6.6 138.5 909 191 C E < - 0 0 6 -3,-1.6 2,-0.5 -27,-0.0 -27,-0.2 -0.887 61.0-147.2-118.1 146.3 31.5 5.6 137.3 910 192 C F E -q 882 0S 20 -29,-2.7 -27,-2.6 -2,-0.3 2,-0.4 -0.946 18.1-159.8-112.3 120.4 28.0 6.2 138.8 911 193 C F E -q 883 0S 1 -2,-0.5 27,-2.0 25,-0.3 2,-0.4 -0.862 8.7-173.6-107.4 134.5 25.4 3.4 138.2 912 194 C I E -qr 884 938S 5 -29,-2.8 -27,-3.6 -2,-0.4 2,-0.6 -0.961 13.4-156.0-122.2 137.2 21.7 3.8 138.4 913 195 C V E -qr 885 939S 0 25,-2.5 27,-2.9 -2,-0.4 2,-0.6 -0.980 20.1-161.3-111.4 115.0 19.2 0.9 138.1 914 196 C D E +qr 886 940S 4 -29,-2.3 -27,-1.5 -2,-0.6 27,-0.2 -0.898 22.2 175.9-107.4 115.3 15.9 2.5 137.0 915 197 C A > - 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0 0 0 25,-2.3 3,-2.3 -2,-0.7 26,-0.2 0.523 32.7-142.0 -91.6 -8.7 -21.0 4.1 172.6 1279 198 D N T 3 - 0 0 38 24,-0.5 25,-0.1 1,-0.3 -2,-0.1 0.860 68.0 -60.3 46.8 41.2 -21.0 0.4 171.9 1280 199 D G T 3 S+ 0 0 17 24,-3.7 27,-0.6 23,-0.3 -1,-0.3 0.656 105.7 128.1 64.1 19.9 -18.9 1.1 168.8 1281 200 D K B < +M 1306 0a 84 -3,-2.3 2,-0.4 23,-0.4 25,-0.2 0.511 47.7 86.6 -83.5 -6.9 -21.5 3.3 167.2 1282 201 D L - 0 0 3 23,-1.9 25,-0.5 22,-0.3 2,-0.2 -0.779 62.5-151.2-100.8 139.0 -19.2 6.3 166.6 1283 202 D S > - 0 0 24 -2,-0.4 4,-2.6 -31,-0.2 5,-0.2 -0.521 41.4-102.4 -89.6 169.8 -17.1 6.8 163.5 1284 203 D V H > S+ 0 0 7 -639,-0.3 4,-2.8 1,-0.2 5,-0.2 0.934 125.4 53.4 -60.7 -41.0 -13.9 8.8 164.3 1285 204 D E H > S+ 0 0 1 -666,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.946 111.9 42.9 -56.4 -52.4 -15.7 11.8 162.7 1286 205 D T H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 113.4 52.4 -64.6 -37.1 -18.7 11.5 164.9 1287 206 D A H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.923 110.9 47.0 -65.7 -43.2 -16.6 10.8 168.0 1288 207 D L H X S+ 0 0 3 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.908 111.7 51.6 -64.4 -40.8 -14.6 13.9 167.4 1289 208 D R H X S+ 0 0 22 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.916 111.6 47.1 -62.0 -43.8 -17.7 16.0 166.8 1290 209 D L H X S+ 0 0 3 -4,-2.4 4,-1.4 2,-0.2 3,-0.4 0.942 112.0 48.7 -63.1 -49.5 -19.3 14.7 170.1 1291 210 D L H < S+ 0 0 31 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.888 110.0 51.6 -60.2 -40.5 -16.2 15.4 172.2 1292 211 D R H < S+ 0 0 67 -4,-2.2 -721,-0.5 1,-0.2 -1,-0.2 0.803 108.9 52.6 -67.2 -28.2 -15.7 18.9 170.8 1293 212 D L H < S+ 0 0 31 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.756 84.9 103.1 -78.6 -27.4 -19.4 19.7 171.7 1294 213 D L S < S- 0 0 19 -4,-1.4 -723,-0.1 -3,-0.3 3,-0.1 -0.292 72.1-124.7 -61.2 137.3 -19.2 18.6 175.3 1295 214 D P > - 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