==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-MAY-10 3N4A . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR J.BEHNEN,A.HEINE,G.KLEBE . 386 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 3 1 2 0 1 1 0 2 1 1 0 0 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 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 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 N 0 0 106 0, 0.0 306,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.1 -6.2 -11.4 -15.7 2 2 A Y + 0 0 55 1,-0.2 308,-0.2 308,-0.1 309,-0.1 0.882 360.0 164.9 56.8 42.2 -7.7 -10.7 -19.2 3 3 A Q - 0 0 134 307,-0.1 -1,-0.2 304,-0.0 2,-0.1 -0.769 32.3-131.2 -86.4 118.2 -9.0 -14.3 -19.0 4 4 A P - 0 0 21 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.480 18.8-163.2 -74.9 150.0 -11.6 -15.0 -21.5 5 5 A T > - 0 0 68 -2,-0.1 3,-3.0 1,-0.1 5,-0.4 -0.906 36.5-110.7-117.4 150.5 -14.9 -16.7 -20.7 6 6 A P G > S+ 0 0 71 0, 0.0 3,-2.0 0, 0.0 42,-0.1 0.837 117.8 71.3 -46.2 -31.5 -17.3 -18.3 -23.1 7 7 A E G 3 S+ 0 0 95 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.799 84.0 67.2 -60.8 -18.2 -19.5 -15.3 -22.2 8 8 A D G < S- 0 0 36 -3,-3.0 -1,-0.3 38,-0.3 275,-0.2 0.587 104.7-134.3 -72.4 -8.2 -17.0 -13.1 -24.2 9 9 A R < + 0 0 78 -3,-2.0 274,-3.0 -4,-0.3 2,-0.5 0.865 38.5 172.1 53.4 45.5 -18.3 -15.0 -27.3 10 10 A F E -a 283 0A 1 -5,-0.4 38,-3.4 36,-0.3 39,-1.5 -0.689 6.7-178.4 -82.8 125.5 -14.9 -15.7 -28.8 11 11 A T E -ab 284 49A 0 272,-2.0 274,-2.6 -2,-0.5 2,-0.3 -0.884 11.6-164.0-126.9 155.7 -15.1 -18.0 -31.8 12 12 A F E -ab 285 50A 0 37,-1.4 39,-1.6 -2,-0.3 2,-0.2 -0.998 22.7-117.8-139.0 139.1 -12.5 -19.6 -34.1 13 13 A G E >> - b 0 51A 0 272,-1.3 3,-1.9 -2,-0.3 4,-0.8 -0.521 23.5-127.0 -74.0 145.0 -12.7 -21.3 -37.5 14 14 A L H 3> S+ 0 0 12 37,-2.7 4,-0.9 1,-0.3 -1,-0.1 0.823 111.6 59.5 -55.5 -29.2 -11.5 -24.9 -37.6 15 15 A W H 34 S+ 0 0 39 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.473 96.5 62.5 -80.8 -5.2 -9.2 -23.8 -40.4 16 16 A T H X4 S+ 0 0 0 -3,-1.9 3,-1.8 2,-0.2 -2,-0.1 0.948 116.0 22.9 -86.1 -73.4 -7.4 -21.2 -38.3 17 17 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.751 125.7 58.2 -63.6 -22.6 -5.7 -23.2 -35.6 18 18 A G T 3< S+ 0 0 19 -4,-0.9 2,-0.4 -5,-0.4 15,-0.4 0.425 73.6 124.2 -86.2 3.0 -5.9 -26.2 -38.0 19 19 A W < - 0 0 54 -3,-1.8 -3,-0.1 1,-0.2 -4,-0.0 -0.467 51.9-154.1 -66.1 121.4 -3.9 -24.4 -40.7 20 20 A Q - 0 0 79 -2,-0.4 9,-2.5 1,-0.1 10,-1.9 0.583 41.1-106.2 -80.3 -4.9 -1.0 -26.8 -41.5 21 21 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.3 270,-0.1 0.613 62.7 153.5 97.1 11.2 1.2 -24.0 -42.8 22 22 A R + 0 0 55 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.625 14.9 169.8 -72.7 128.8 1.1 -24.5 -46.5 23 23 A D B > -F 26 0B 65 3,-1.4 3,-1.1 -2,-0.4 5,-0.0 -0.657 53.0 -86.8-129.0-178.1 1.8 -21.1 -48.3 24 24 A P T 3 S+ 0 0 113 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.760 127.8 37.8 -75.1 -13.9 2.5 -20.5 -52.0 25 25 A F T 3 S+ 0 0 190 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.259 115.9 43.5-112.5 13.1 6.2 -21.1 -51.4 26 26 A G B < -F 23 0B 22 -3,-1.1 -3,-1.4 -5,-0.0 3,-0.1 -0.999 68.5-111.3-159.0 159.9 6.3 -23.9 -48.9 27 27 A D - 0 0 139 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.1 -0.255 57.2 -69.6 -79.8 168.1 5.0 -27.2 -47.6 28 28 A A - 0 0 53 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.316 36.2-169.4 -54.6 140.9 3.0 -27.9 -44.5 29 29 A T S S+ 0 0 60 -9,-2.5 2,-0.3 1,-0.1 -8,-0.2 0.400 70.8 45.2-110.4 -6.5 4.9 -27.4 -41.2 30 30 A R S S- 0 0 16 -10,-1.9 -1,-0.1 264,-0.1 3,-0.1 -0.981 84.6-111.2-136.0 149.7 2.3 -29.0 -38.9 31 31 A R - 0 0 150 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.322 48.4 -84.6 -70.3 159.9 0.1 -32.1 -39.1 32 32 A A - 0 0 56 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.331 43.2-130.3 -63.9 144.9 -3.6 -31.9 -39.6 33 33 A L - 0 0 25 -15,-0.4 -1,-0.1 -19,-0.1 -15,-0.0 -0.856 12.0-124.0 -97.6 136.3 -5.7 -31.4 -36.5 34 34 A D >> - 0 0 66 -2,-0.4 4,-1.8 1,-0.1 3,-1.4 -0.665 21.8-133.0 -71.3 124.9 -8.8 -33.5 -35.7 35 35 A P H 3> S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.822 107.4 61.1 -50.4 -32.7 -11.7 -31.0 -35.3 36 36 A V H 3> S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.897 104.1 47.9 -60.8 -40.6 -12.5 -32.9 -32.1 37 37 A E H <> S+ 0 0 37 -3,-1.4 4,-3.0 2,-0.2 5,-0.2 0.905 110.5 51.3 -67.8 -41.0 -9.1 -31.9 -30.7 38 38 A S H X S+ 0 0 2 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.918 107.7 52.3 -62.3 -44.1 -9.5 -28.3 -31.7 39 39 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.942 113.6 45.1 -55.3 -48.6 -12.9 -28.0 -30.1 40 40 A R H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.952 115.2 44.4 -63.2 -51.8 -11.4 -29.4 -26.9 41 41 A R H X S+ 0 0 81 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.936 114.7 50.0 -60.9 -42.2 -8.3 -27.2 -26.9 42 42 A L H X>S+ 0 0 0 -4,-3.2 5,-2.2 -5,-0.2 4,-0.6 0.910 108.8 52.1 -65.2 -38.0 -10.2 -24.1 -27.8 43 43 A A H ><5S+ 0 0 28 -4,-2.3 3,-1.2 -5,-0.3 -1,-0.2 0.907 106.3 54.3 -62.3 -40.3 -12.8 -24.8 -25.0 44 44 A E H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 105.0 54.7 -64.1 -27.5 -9.9 -25.1 -22.5 45 45 A L H 3<5S- 0 0 42 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.611 126.4 -97.4 -83.7 -10.9 -8.7 -21.7 -23.6 46 46 A G T <<5 + 0 0 8 -3,-1.2 -36,-0.3 -4,-0.6 -38,-0.3 0.515 68.7 155.1 107.2 4.9 -12.0 -20.0 -22.9 47 47 A A < - 0 0 2 -5,-2.2 -1,-0.2 -6,-0.2 -36,-0.2 -0.268 36.4-151.7 -57.4 150.9 -13.5 -20.0 -26.5 48 48 A H - 0 0 41 -38,-3.4 36,-1.8 1,-0.2 2,-0.3 0.676 66.2 -26.5 -93.4 -29.6 -17.3 -19.9 -26.8 49 49 A G E -bc 11 84A 0 -39,-1.5 -37,-1.4 34,-0.3 2,-0.3 -0.984 50.6-116.2-172.9 177.2 -17.4 -21.7 -30.2 50 50 A V E -b 12 0A 0 34,-2.5 37,-0.5 -2,-0.3 2,-0.3 -0.882 15.0-155.4-131.7 161.6 -16.1 -22.8 -33.5 51 51 A T E -b 13 0A 0 -39,-1.6 -37,-2.7 -2,-0.3 2,-0.3 -0.864 14.3-165.4-133.3 163.8 -17.0 -22.4 -37.2 52 52 A F E -g 88 0C 0 35,-0.7 37,-2.4 -2,-0.3 2,-0.3 -0.999 26.2-130.5-154.8 150.1 -16.3 -24.4 -40.3 53 53 A H E >> -g 89 0C 15 -2,-0.3 3,-1.8 35,-0.2 4,-1.3 -0.761 44.0-113.5 -83.4 145.7 -16.2 -24.8 -44.0 54 54 A D H >> S+ 0 0 10 35,-1.2 4,-2.9 -2,-0.3 3,-0.8 0.905 119.4 51.3 -41.1 -51.1 -18.1 -27.9 -45.2 55 55 A D H 34 S+ 0 0 41 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.577 103.0 58.4 -76.0 -8.7 -14.7 -29.4 -46.3 56 56 A D H <4 S+ 0 0 53 -3,-1.8 -1,-0.3 3,-0.1 -2,-0.2 0.800 117.1 32.7 -78.9 -35.9 -13.0 -28.7 -42.9 57 57 A L H << S+ 0 0 4 -4,-1.3 -2,-0.2 -3,-0.8 -3,-0.1 0.854 131.0 30.9 -89.7 -42.3 -15.6 -30.8 -41.1 58 58 A I S < S- 0 0 9 -4,-2.9 -1,-0.3 -5,-0.2 3,-0.1 -0.962 90.1-120.4-123.5 115.2 -16.3 -33.4 -43.8 59 59 A P > - 0 0 63 0, 0.0 3,-2.0 0, 0.0 -3,-0.1 -0.191 41.4 -91.9 -57.3 140.9 -13.5 -34.3 -46.2 60 60 A F T 3 S+ 0 0 99 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.224 113.2 21.6 -49.2 131.3 -14.3 -33.6 -49.9 61 61 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.457 85.6 160.5 89.0 0.2 -15.8 -36.7 -51.5 62 62 A S < - 0 0 20 -3,-2.0 -1,-0.2 -4,-0.1 2,-0.1 -0.245 39.3-121.9 -60.0 140.4 -16.9 -38.3 -48.2 63 63 A S >> - 0 0 58 1,-0.1 4,-3.2 4,-0.0 3,-0.5 -0.436 29.9-102.9 -75.5 157.8 -19.6 -40.9 -48.4 64 64 A D H 3> S+ 0 0 118 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.843 123.5 48.8 -52.0 -35.7 -22.8 -40.3 -46.5 65 65 A S H 3> S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.831 111.8 48.0 -78.5 -27.5 -21.8 -42.8 -43.8 66 66 A E H <> S+ 0 0 98 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.947 111.1 53.9 -70.0 -42.4 -18.4 -41.2 -43.5 67 67 A R H X S+ 0 0 41 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.928 107.7 48.4 -50.6 -52.7 -20.2 -37.8 -43.3 68 68 A E H X S+ 0 0 62 -4,-2.3 4,-3.2 -5,-0.2 -1,-0.2 0.926 110.8 50.8 -63.4 -38.7 -22.5 -39.0 -40.5 69 69 A E H X S+ 0 0 50 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.901 109.9 49.0 -66.5 -40.0 -19.5 -40.3 -38.5 70 70 A H H X S+ 0 0 68 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.933 114.9 45.7 -61.8 -46.9 -17.6 -37.0 -38.8 71 71 A V H X S+ 0 0 19 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.909 110.7 53.1 -63.6 -44.9 -20.6 -35.1 -37.8 72 72 A K H X S+ 0 0 167 -4,-3.2 4,-1.8 -5,-0.2 -1,-0.2 0.907 110.4 47.0 -57.5 -43.7 -21.4 -37.5 -34.9 73 73 A R H X S+ 0 0 127 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.882 112.8 48.7 -65.9 -39.3 -17.9 -37.1 -33.5 74 74 A F H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.923 109.3 53.2 -66.8 -42.7 -17.9 -33.4 -33.8 75 75 A R H X S+ 0 0 85 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.861 106.1 53.7 -61.7 -37.1 -21.3 -33.2 -32.1 76 76 A Q H X S+ 0 0 100 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.883 107.5 50.4 -64.8 -39.9 -20.0 -35.2 -29.2 77 77 A A H X S+ 0 0 7 -4,-1.6 4,-1.2 2,-0.2 6,-0.3 0.863 110.8 49.4 -65.9 -37.5 -17.1 -32.8 -28.7 78 78 A L H X>S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 5,-0.7 0.935 113.6 45.9 -63.1 -46.3 -19.5 -29.9 -28.7 79 79 A D H <5S+ 0 0 105 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.851 112.3 52.8 -62.3 -36.5 -21.7 -31.7 -26.1 80 80 A D H <5S+ 0 0 113 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.823 121.6 28.6 -69.4 -26.5 -18.6 -32.5 -24.1 81 81 A T H <5S- 0 0 52 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.614 97.5-119.8-113.3 -16.9 -17.4 -28.9 -24.0 82 82 A G T <5 + 0 0 50 -4,-2.4 -3,-0.2 1,-0.3 -4,-0.1 0.599 61.2 153.3 80.8 6.8 -20.5 -26.7 -24.1 83 83 A M < - 0 0 7 -5,-0.7 -1,-0.3 -6,-0.3 -34,-0.3 -0.453 30.8-145.5 -73.6 147.2 -19.1 -25.1 -27.3 84 84 A K B -c 49 0A 116 -36,-1.8 -34,-2.5 -2,-0.1 45,-0.1 -0.619 13.2-141.2-110.1 165.3 -21.3 -23.6 -30.0 85 85 A V + 0 0 5 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.782 29.7 163.2-128.1 80.9 -21.4 -23.3 -33.8 86 86 A P + 0 0 6 0, 0.0 45,-1.8 0, 0.0 46,-1.7 0.664 64.1 24.8 -78.4 -17.3 -22.7 -19.8 -34.5 87 87 A M E + h 0 132C 1 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.997 57.4 177.6-148.9 148.7 -21.5 -19.7 -38.1 88 88 A A E -gh 52 133C 0 44,-1.7 46,-2.4 -2,-0.3 2,-0.3 -0.950 6.4-173.3-144.8 168.8 -20.6 -21.9 -41.0 89 89 A T E -gh 53 134C 5 -37,-2.4 -35,-1.2 -2,-0.3 2,-0.4 -0.916 23.2-105.7-155.1 173.6 -19.5 -21.4 -44.6 90 90 A T - 0 0 8 44,-0.6 2,-1.0 -2,-0.3 46,-0.3 -0.888 21.9-128.5-111.6 142.9 -18.8 -23.2 -47.9 91 91 A N + 0 0 10 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.840 42.9 152.6 -91.2 104.4 -15.5 -24.0 -49.5 92 92 A L + 0 0 18 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.207 65.2 56.6-117.5 33.8 -15.9 -22.7 -53.0 93 93 A F S S+ 0 0 35 45,-0.1 -1,-0.1 46,-0.1 8,-0.1 0.558 88.9 60.0-135.9 -21.3 -12.2 -22.0 -53.5 94 94 A T S S+ 0 0 91 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.954 82.1 80.1 -82.9 -47.4 -9.9 -25.0 -52.9 95 95 A H S > S- 0 0 67 -4,-0.2 3,-2.3 1,-0.1 4,-0.0 -0.365 83.9-124.3 -61.1 133.8 -11.1 -27.6 -55.5 96 96 A P G > S+ 0 0 95 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.717 106.0 74.3 -51.1 -22.4 -9.7 -27.0 -59.0 97 97 A V G 3 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 13,-0.0 0.829 93.7 54.3 -66.7 -27.1 -13.2 -26.9 -60.4 98 98 A F G X + 0 0 1 -3,-2.3 3,-2.1 1,-0.2 -1,-0.3 0.186 69.9 119.0 -91.5 18.9 -13.6 -23.5 -58.7 99 99 A K T < S+ 0 0 151 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.733 87.1 32.4 -61.3 -22.1 -10.5 -22.1 -60.5 100 100 A D T 3 S- 0 0 34 1,-0.5 41,-0.3 -3,-0.4 -1,-0.3 0.122 131.4 -77.0-114.1 15.2 -12.7 -19.4 -62.2 101 101 A G < - 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0 0 0 -35,-2.3 29,-0.2 -2,-0.3 26,-0.1 -0.711 27.9-167.5-123.0 75.0 -18.7 -10.3 -42.5 215 215 A P - 0 0 0 0, 0.0 29,-2.8 0, 0.0 2,-0.4 -0.378 8.2-146.5 -70.1 147.6 -15.8 -7.8 -42.8 216 216 A E B > -d 244 0A 0 -35,-0.3 4,-1.8 27,-0.2 5,-0.3 -0.968 11.6-136.2-117.9 131.4 -12.3 -9.0 -42.1 217 217 A V H > S+ 0 0 8 27,-2.1 4,-1.5 -2,-0.4 5,-0.2 0.907 104.1 43.9 -46.3 -60.6 -9.7 -6.7 -40.5 218 218 A G H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.796 108.6 58.6 -59.0 -36.8 -6.9 -7.8 -42.8 219 219 A H H 4 S+ 0 0 4 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.954 107.2 43.1 -67.6 -47.1 -8.9 -7.7 -46.0 220 220 A E H ><>S+ 0 0 7 -4,-1.8 5,-1.9 1,-0.2 3,-1.6 0.880 112.3 56.0 -62.3 -34.2 -10.0 -4.1 -45.8 221 221 A Q H ><5S+ 0 0 16 -4,-1.5 3,-1.7 -5,-0.3 -1,-0.2 0.760 93.4 68.4 -70.5 -22.7 -6.4 -3.2 -44.8 222 222 A M T 3<5S+ 0 0 4 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.666 102.0 47.4 -68.6 -11.9 -5.2 -4.9 -48.0 223 223 A A T < 5S- 0 0 43 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.217 121.3-111.6-109.5 7.5 -6.9 -2.0 -49.8 224 224 A G T < 5S+ 0 0 50 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.634 70.9 146.7 73.6 16.4 -5.3 0.5 -47.4 225 225 A L < - 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