==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-MAR-12 4E3V . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR J.J.TANNER,T.A.PEMBERTON . 386 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 70.2 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 . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 38.3 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 2 0 0 1 1 0 0 0 1 0 1 0 1 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 3 A Y 0 0 91 0, 0.0 308,-0.2 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 45.2 38.7 38.2 83.4 2 4 A Q - 0 0 157 307,-0.1 2,-0.1 304,-0.0 43,-0.1 -0.771 360.0-135.6 -92.1 120.8 37.4 34.6 83.5 3 5 A P - 0 0 20 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.439 21.5-175.0 -74.8 149.1 34.8 33.8 80.9 4 6 A T > - 0 0 72 -2,-0.1 3,-2.5 1,-0.0 5,-0.4 -0.900 44.9 -96.5-131.1 163.6 31.7 31.8 81.8 5 7 A P G > S+ 0 0 74 0, 0.0 3,-2.0 0, 0.0 42,-0.1 0.784 118.4 71.8 -51.8 -27.9 28.9 30.6 79.5 6 8 A E G 3 S+ 0 0 94 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.727 85.8 67.4 -60.0 -21.3 26.8 33.7 80.4 7 9 A D G < S- 0 0 39 -3,-2.5 -1,-0.3 38,-0.2 275,-0.1 0.539 102.3-133.4 -76.7 -9.3 29.2 35.7 78.3 8 10 A R < + 0 0 20 -3,-2.0 274,-2.6 -4,-0.2 2,-0.4 0.744 41.4 166.9 65.0 28.9 28.0 34.1 75.1 9 11 A F E +a 282 0A 1 -5,-0.4 38,-3.3 36,-0.3 39,-1.5 -0.601 8.9 178.8 -77.5 127.4 31.4 33.4 73.7 10 12 A T E -ab 283 48A 0 272,-2.2 274,-2.6 -2,-0.4 2,-0.3 -0.894 12.7-161.3-128.4 161.0 31.3 30.9 70.7 11 13 A F E -ab 284 49A 0 37,-1.3 39,-1.7 -2,-0.3 2,-0.2 -0.999 22.4-115.8-141.2 142.9 33.9 29.4 68.4 12 14 A G E >> - b 0 50A 0 272,-1.3 3,-1.7 -2,-0.3 4,-0.8 -0.479 22.7-127.7 -72.8 144.8 33.7 27.7 65.0 13 15 A L H 3> S+ 0 0 12 37,-2.4 4,-1.1 1,-0.3 -1,-0.1 0.872 112.3 57.6 -54.9 -34.8 34.8 24.1 64.8 14 16 A W H 34 S+ 0 0 38 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.463 98.0 64.2 -77.2 -3.8 37.1 25.2 62.0 15 17 A T H X4 S+ 0 0 0 -3,-1.7 3,-1.9 2,-0.2 -2,-0.2 0.945 115.1 21.7 -83.8 -76.7 38.9 27.8 64.2 16 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.749 124.9 60.8 -60.8 -22.9 40.6 25.7 66.9 17 19 A G T 3< S+ 0 0 21 -4,-1.1 15,-0.3 -5,-0.4 -1,-0.3 0.431 72.4 125.8 -85.4 1.3 40.4 22.8 64.5 18 20 A W < - 0 0 49 -3,-1.9 -3,-0.1 1,-0.2 -4,-0.0 -0.448 50.6-154.8 -62.2 124.1 42.5 24.6 61.8 19 21 A Q - 0 0 45 -2,-0.3 9,-2.5 9,-0.1 10,-2.1 0.520 41.9-106.2 -82.1 -5.9 45.4 22.2 61.0 20 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 270,-0.1 0.519 64.1 152.1 96.9 5.6 47.7 25.0 59.8 21 23 A R + 0 0 142 8,-0.1 -1,-0.3 2,-0.1 5,-0.2 -0.528 16.2 168.5 -67.8 132.9 47.6 24.5 56.0 22 24 A D B > -F 25 0B 65 3,-1.5 3,-1.6 -2,-0.3 5,-0.0 -0.764 53.7 -81.6-135.3-179.5 48.1 27.8 54.2 23 25 A P T 3 S+ 0 0 114 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 0.695 131.8 27.6 -63.8 -14.2 48.9 28.8 50.6 24 26 A F T 3 S+ 0 0 196 2,-0.1 2,-0.3 1,-0.0 -3,-0.0 0.126 116.8 68.1-127.4 18.3 52.5 27.9 51.0 25 27 A G B < -F 22 0B 16 -3,-1.6 -3,-1.5 0, 0.0 3,-0.1 -0.995 62.3-134.0-150.5 143.4 52.4 25.3 53.8 26 28 A D - 0 0 138 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.306 57.2 -65.2 -80.7 171.8 51.4 21.8 54.8 27 29 A A - 0 0 36 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.269 37.5-172.4 -61.0 142.6 49.5 21.1 58.1 28 30 A T S S+ 0 0 61 -9,-2.5 2,-0.3 1,-0.1 -8,-0.2 0.466 70.5 45.9-109.4 -8.1 51.3 21.7 61.4 29 31 A R S S- 0 0 14 -10,-2.1 -1,-0.1 264,-0.1 -8,-0.1 -0.976 83.6-110.9-133.2 151.0 48.7 20.1 63.6 30 32 A R - 0 0 65 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.327 49.4 -88.4 -68.8 157.0 46.7 16.9 63.6 31 33 A A - 0 0 69 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.362 41.2-130.6 -64.5 147.8 42.9 17.1 63.0 32 34 A L - 0 0 23 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.0 -0.863 11.7-124.5-101.5 135.5 40.7 17.5 66.0 33 35 A D >> - 0 0 70 -2,-0.4 4,-2.0 1,-0.1 3,-0.9 -0.643 22.7-130.3 -67.7 127.4 37.6 15.5 66.7 34 36 A P H 3> S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.822 108.4 61.9 -49.3 -33.5 34.7 17.9 67.1 35 37 A V H 3> S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.900 104.8 45.4 -59.9 -42.8 33.9 16.1 70.4 36 38 A E H <> S+ 0 0 73 -3,-0.9 4,-3.0 2,-0.2 5,-0.2 0.894 110.8 53.5 -68.9 -40.1 37.3 17.1 71.8 37 39 A S H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.928 108.2 49.9 -59.8 -44.9 36.9 20.7 70.6 38 40 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.931 113.5 46.6 -59.0 -44.8 33.6 21.0 72.3 39 41 A R H X S+ 0 0 137 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.931 114.4 45.5 -63.5 -47.8 35.0 19.6 75.6 40 42 A R H X S+ 0 0 72 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.908 113.8 49.2 -65.7 -40.3 38.2 21.8 75.5 41 43 A L H <>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.2 4,-0.5 0.908 109.8 51.4 -64.9 -41.5 36.2 25.0 74.6 42 44 A A H ><5S+ 0 0 27 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.907 106.1 55.5 -60.5 -41.1 33.6 24.3 77.4 43 45 A E H 3<5S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.822 104.8 53.8 -61.9 -31.4 36.5 23.9 79.9 44 46 A L T 3<5S- 0 0 44 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.545 127.5 -99.4 -79.3 -10.7 37.7 27.4 78.9 45 47 A G T < 5 + 0 0 9 -3,-1.5 -36,-0.3 -4,-0.5 -38,-0.2 0.604 66.5 158.2 101.8 14.2 34.3 28.9 79.6 46 48 A A < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.1 -36,-0.2 -0.312 37.2-147.5 -65.3 155.8 32.9 29.0 76.1 47 49 A H - 0 0 48 -38,-3.3 36,-1.8 1,-0.2 2,-0.3 0.726 66.4 -35.9 -92.1 -32.1 29.1 29.2 75.6 48 50 A G E -bc 10 83A 0 -39,-1.5 -37,-1.3 34,-0.3 2,-0.3 -0.976 50.1-110.6-173.2-173.8 28.9 27.3 72.4 49 51 A V E -b 11 0A 0 34,-2.5 37,-0.5 -2,-0.3 2,-0.3 -0.900 15.5-152.2-136.3 160.8 30.3 26.2 69.0 50 52 A T E -b 12 0A 0 -39,-1.7 -37,-2.4 -2,-0.3 2,-0.3 -0.855 15.0-166.1-129.5 165.8 29.3 26.7 65.3 51 53 A F E -g 87 0C 0 35,-0.7 37,-2.4 -2,-0.3 2,-0.3 -0.999 24.8-132.7-153.2 147.7 29.9 24.6 62.2 52 54 A H E >> -g 88 0C 17 -2,-0.3 3,-2.0 35,-0.2 4,-1.2 -0.780 44.9-110.6 -82.9 149.5 30.0 24.3 58.5 53 55 A D H >> S+ 0 0 13 35,-1.4 4,-2.4 -2,-0.3 3,-0.8 0.904 119.7 50.2 -42.0 -50.1 28.2 21.2 57.3 54 56 A D H 34 S+ 0 0 40 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.518 101.5 61.5 -77.8 -6.4 31.5 19.7 56.2 55 57 A D H <4 S+ 0 0 49 -3,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.786 115.6 32.7 -78.7 -34.0 33.3 20.4 59.5 56 58 A L H << S+ 0 0 5 -4,-1.2 -2,-0.2 -3,-0.8 -3,-0.1 0.840 129.1 32.4 -94.0 -38.9 30.9 18.2 61.3 57 59 A I S < S- 0 0 9 -4,-2.4 -1,-0.3 -5,-0.2 3,-0.1 -0.971 90.6-120.9-124.3 111.7 30.2 15.5 58.7 58 60 A P > - 0 0 65 0, 0.0 3,-1.4 0, 0.0 -3,-0.1 -0.251 42.9 -93.5 -52.4 135.5 33.0 14.8 56.3 59 61 A F T 3 S+ 0 0 101 -5,-0.3 -5,-0.0 1,-0.2 -6,-0.0 -0.235 111.5 26.0 -51.5 135.1 32.0 15.4 52.7 60 62 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.564 84.5 158.6 87.7 10.2 30.7 12.3 51.0 61 63 A S < - 0 0 23 -3,-1.4 -1,-0.2 -4,-0.1 2,-0.1 -0.360 39.9-120.8 -67.6 143.7 29.5 10.6 54.2 62 64 A S > - 0 0 50 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.308 31.7-102.6 -72.2 166.5 26.9 7.9 54.1 63 65 A D H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.878 124.0 50.3 -60.3 -38.3 23.6 8.3 56.0 64 66 A S H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.900 112.0 46.6 -67.7 -41.0 24.8 5.9 58.7 65 67 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 112.0 52.1 -64.9 -43.1 28.1 7.8 59.0 66 68 A R H X S+ 0 0 45 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.932 107.8 51.4 -56.4 -50.2 26.2 11.1 59.1 67 69 A E H X S+ 0 0 61 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.889 111.4 47.6 -56.2 -42.6 24.0 9.8 61.9 68 70 A E H X S+ 0 0 94 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.888 109.4 52.2 -69.8 -40.2 27.0 8.7 64.0 69 71 A H H X S+ 0 0 67 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.939 114.2 44.1 -58.6 -45.1 28.8 12.0 63.5 70 72 A V H X S+ 0 0 31 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.921 111.3 53.9 -68.7 -42.2 25.8 13.9 64.7 71 73 A K H X S+ 0 0 143 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.926 110.7 45.4 -57.3 -48.2 25.1 11.5 67.6 72 74 A R H X S+ 0 0 108 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.895 114.2 48.8 -63.1 -41.0 28.6 11.9 69.0 73 75 A F H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.933 109.9 52.0 -64.4 -46.2 28.5 15.7 68.6 74 76 A R H X S+ 0 0 95 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.888 108.8 51.3 -54.7 -43.0 25.0 15.8 70.3 75 77 A Q H X S+ 0 0 104 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.887 107.9 52.0 -64.8 -38.1 26.5 13.8 73.2 76 78 A A H X S+ 0 0 4 -4,-1.9 4,-1.3 2,-0.2 6,-0.3 0.923 109.9 48.6 -65.0 -42.1 29.4 16.3 73.5 77 79 A L H X>S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 5,-0.7 0.932 114.3 46.7 -59.7 -45.8 27.0 19.2 73.7 78 80 A D H <5S+ 0 0 95 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.842 110.4 52.7 -66.5 -35.8 24.9 17.3 76.3 79 81 A D H <5S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.754 123.2 28.1 -68.9 -25.2 28.1 16.4 78.3 80 82 A T H <5S- 0 0 48 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.619 99.0-119.9-112.6 -20.6 29.2 20.0 78.4 81 83 A G T <5 + 0 0 53 -4,-2.4 -3,-0.2 1,-0.3 -4,-0.1 0.561 59.5 154.4 79.5 10.6 26.1 22.2 78.3 82 84 A M < - 0 0 5 -5,-0.7 -1,-0.3 -6,-0.3 -34,-0.3 -0.391 29.8-148.6 -70.5 147.7 27.5 23.8 75.1 83 85 A K B -c 48 0A 112 -36,-1.8 -34,-2.5 -3,-0.1 45,-0.1 -0.675 12.0-138.7-111.0 168.1 25.0 25.3 72.6 84 86 A V + 0 0 4 43,-0.4 -34,-0.1 -2,-0.2 -36,-0.1 -0.813 28.9 165.9-125.5 87.8 25.1 25.7 68.8 85 87 A P + 0 0 14 0, 0.0 45,-1.9 0, 0.0 46,-1.6 0.708 64.1 24.2 -81.6 -17.1 23.7 29.2 68.1 86 88 A M E + h 0 131C 2 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.994 57.7 178.8-147.1 147.5 24.8 29.4 64.4 87 89 A A E -gh 51 132C 0 44,-1.6 46,-2.2 -2,-0.3 2,-0.3 -0.935 6.9-175.0-142.0 168.1 25.6 27.1 61.5 88 90 A T E -gh 52 133C 6 -37,-2.4 -35,-1.4 -2,-0.3 2,-0.4 -0.918 24.1-104.4-154.6 173.0 26.7 27.6 57.9 89 91 A T - 0 0 10 44,-0.7 2,-1.1 -2,-0.3 46,-0.3 -0.883 22.8-128.6-108.9 140.4 27.4 25.8 54.6 90 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.763 42.4 154.6 -83.9 102.4 30.7 25.1 53.1 91 93 A L + 0 0 17 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.158 65.4 53.8-114.5 37.3 30.3 26.4 49.5 92 94 A F S S+ 0 0 35 45,-0.1 -1,-0.1 8,-0.1 8,-0.1 0.601 88.9 62.0-140.0 -27.1 34.0 27.1 48.9 93 95 A T S S+ 0 0 92 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.949 82.1 78.7 -78.1 -49.8 36.3 24.1 49.6 94 96 A H S > S- 0 0 64 -4,-0.2 3,-2.2 1,-0.1 4,-0.0 -0.330 84.4-123.8 -63.9 138.2 35.2 21.5 47.0 95 97 A P G > S+ 0 0 91 0, 0.0 3,-2.0 0, 0.0 4,-0.1 0.737 105.9 74.4 -56.5 -22.4 36.5 22.1 43.5 96 98 A V G 3 S+ 0 0 51 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.813 94.3 54.2 -59.5 -26.5 32.9 22.1 42.1 97 99 A F G X S+ 0 0 0 -3,-2.2 3,-2.1 1,-0.2 -1,-0.3 0.175 70.4 120.5 -93.0 20.9 32.6 25.6 43.8 98 100 A K T < S+ 0 0 149 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.758 86.3 31.5 -60.2 -25.9 35.6 27.0 42.0 99 101 A D T 3 S- 0 0 31 1,-0.5 41,-0.4 -3,-0.5 -1,-0.3 0.192 131.4 -79.5-111.7 16.3 33.5 29.7 40.3 100 102 A G < - 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0 0 57 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.480 37.7-149.1 -73.6 145.4 11.5 27.4 61.1 173 175 A D + 0 0 159 -2,-0.2 -1,-0.1 2,-0.1 -5,-0.1 0.500 58.3 121.0 -90.4 -2.5 12.4 30.4 63.3 174 176 A I - 0 0 6 -45,-0.1 2,-0.3 -7,-0.1 -43,-0.2 -0.226 47.3-155.6 -67.2 144.8 16.0 30.6 62.0 175 177 A R E -i 131 0C 103 -45,-2.0 -43,-3.0 65,-0.1 2,-0.3 -0.860 13.6-117.0-119.7 161.1 17.2 33.8 60.3 176 178 A F E -ij 132 210C 1 33,-2.7 35,-2.5 -2,-0.3 2,-0.4 -0.702 17.6-165.4-100.2 147.8 20.0 34.4 57.7 177 179 A A E -ij 133 211C 0 -45,-2.3 -43,-2.4 -2,-0.3 2,-0.4 -0.965 12.1-148.0-134.1 116.1 23.2 36.4 58.1 178 180 A I E -ij 134 212C 7 33,-2.9 35,-2.3 -2,-0.4 -43,-0.2 -0.702 11.0-149.5 -84.9 127.5 25.2 37.3 55.0 179 181 A E - 0 0 15 -45,-2.7 -43,-0.4 -2,-0.4 2,-0.1 -0.861 11.2-152.2-103.8 110.8 28.9 37.6 55.7 180 182 A P + 0 0 1 0, 0.0 35,-0.3 0, 0.0 14,-0.1 -0.441 19.5 168.9 -80.3 153.7 30.8 40.1 53.5 181 183 A K - 0 0 7 10,-0.7 12,-0.1 9,-0.3 8,-0.1 -0.926 28.0-143.7-155.8 141.2 34.5 39.9 52.5 182 184 A P S S- 0 0 13 0, 0.0 7,-2.3 0, 0.0 2,-0.3 0.848 73.5 -19.0 -82.0 -30.1 36.2 42.0 49.9 183 185 A N S S+ 0 0 57 5,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.953 72.6 111.6-164.3 168.5 38.6 39.5 48.4 184 186 A E S S+ 0 0 63 2,-2.8 -1,-0.2 -2,-0.3 3,-0.1 0.893 87.7 22.0 75.5 107.5 40.3 36.2 49.0 185 187 A P S S+ 0 0 52 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.953 128.7 46.8 -85.4 -17.0 40.0 33.5 47.7 186 188 A R S S- 0 0 15 -49,-0.9 -2,-2.8 1,-0.1 3,-0.2 -0.516 88.8-118.0 -81.2 155.9 38.5 35.3 44.7 187 189 A G S S+ 0 0 39 1,-0.3 2,-0.3 -4,-0.2 -45,-0.2 0.879 105.1 7.3 -58.7 -40.2 40.3 38.3 43.3 188 190 A D E S-L 141 0D 117 -47,-1.4 -47,-1.9 -5,-0.1 2,-0.4 -0.972 80.1-148.3-137.8 134.7 37.2 40.3 44.1 189 191 A I E -L 140 0D 9 -7,-2.3 -49,-0.3 -2,-0.3 2,-0.1 -0.798 22.9-111.8-103.2 140.6 34.2 38.9 46.0 190 192 A L S S+ 0 0 27 -51,-2.5 -9,-0.3 -2,-0.4 -54,-0.1 -0.413 102.2 23.6 -68.3 149.4 30.6 40.0 45.5 191 193 A L S S- 0 0 18 -11,-0.1 -10,-0.7 -2,-0.1 -1,-0.2 0.986 81.0-178.6 53.7 63.6 29.0 42.0 48.3 192 194 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.615 52.4 26.6 -75.4 -16.2 32.5 43.0 49.5 193 195 A T S > S- 0 0 19 -12,-0.1 4,-2.2 -11,-0.1 5,-0.2 -0.902 86.7 -97.4-140.2 167.4 31.5 45.0 52.6 194 196 A V H > S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.879 122.6 54.7 -50.2 -41.8 28.8 45.4 55.2 195 197 A G H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 107.1 47.8 -61.8 -46.7 27.3 48.2 53.1 196 198 A H H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 113.5 48.5 -63.5 -38.4 27.0 46.1 50.0 197 199 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.927 110.9 49.8 -67.0 -44.8 25.4 43.3 51.9 198 200 A L H X S+ 0 0 18 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.900 111.9 48.9 -58.2 -42.3 22.9 45.6 53.6 199 201 A A H < S+ 0 0 62 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.913 109.9 51.3 -65.7 -42.8 22.0 47.2 50.3 200 202 A F H >< S+ 0 0 20 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.890 102.6 59.8 -61.1 -41.4 21.5 43.8 48.7 201 203 A I H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.854 94.4 64.8 -57.5 -35.1 19.2 42.6 51.5 202 204 A E T 3< S+ 0 0 94 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.713 99.4 53.6 -63.8 -19.8 16.8 45.4 50.7 203 205 A R T < S+ 0 0 168 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.434 86.5 105.5 -95.3 -0.4 16.1 43.9 47.3 204 206 A L S < S- 0 0 8 -3,-1.9 -46,-0.1 -4,-0.3 -47,-0.0 -0.392 80.4-118.3 -75.7 158.7 15.2 40.4 48.7 205 207 A E S S+ 0 0 68 1,-0.3 -1,-0.1 -48,-0.2 3,-0.1 0.890 110.3 24.4 -65.4 -40.5 11.5 39.3 48.7 206 208 A R S > S+ 0 0 88 1,-0.1 3,-2.1 -5,-0.0 -1,-0.3 -0.677 71.4 173.1-124.8 73.0 11.4 39.0 52.6 207 209 A P G > S+ 0 0 30 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.750 70.4 73.0 -58.3 -24.8 14.2 41.3 53.8 208 210 A E G 3 S+ 0 0 120 1,-0.3 -6,-0.0 -3,-0.1 -7,-0.0 0.715 90.3 60.2 -62.4 -20.3 13.2 40.8 57.5 209 211 A L G < S+ 0 0 31 -3,-2.1 -33,-2.7 -34,-0.1 2,-0.4 0.507 99.6 67.6 -83.4 -5.6 14.6 37.3 57.3 210 212 A Y E < +j 176 0C 1 -3,-2.0 -33,-0.2 -4,-0.2 2,-0.2 -0.954 48.8 150.7-128.1 136.3 18.2 38.5 56.5 211 213 A G E -j 177 0C 0 -35,-2.5 -33,-2.9 -2,-0.4 2,-0.3 -0.630 41.8 -84.1-134.6-161.9 20.9 40.5 58.3 212 214 A V E -jk 178 239C 0 26,-2.9 29,-1.2 -35,-0.3 28,-1.1 -0.812 13.3-160.0-113.4 153.0 24.7 40.6 58.3 213 215 A N - 0 0 0 -35,-2.3 29,-0.2 -2,-0.3 2,-0.1 -0.772 28.1-169.0-122.0 80.3 27.4 38.7 59.9 214 216 A P - 0 0 0 0, 0.0 29,-2.8 0, 0.0 2,-0.4 -0.434 9.1-147.8 -74.7 149.7 30.4 41.1 59.7 215 217 A E B > -d 243 0A 1 -35,-0.3 4,-1.9 27,-0.2 5,-0.3 -0.965 13.9-135.4-117.7 134.1 33.9 40.0 60.5 216 218 A V H > S+ 0 0 9 27,-2.0 4,-1.8 -2,-0.4 -1,-0.1 0.924 106.2 44.7 -46.4 -57.2 36.5 42.3 62.1 217 219 A G H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.833 108.2 58.3 -61.5 -36.1 39.3 41.2 59.7 218 220 A H H >4 S+ 0 0 3 2,-0.2 3,-0.5 1,-0.2 4,-0.4 0.944 108.2 42.0 -64.9 -49.0 37.1 41.3 56.6 219 221 A E H ><>S+ 0 0 6 -4,-1.9 5,-2.0 1,-0.2 3,-1.4 0.888 112.9 56.3 -66.0 -34.4 36.1 45.0 56.8 220 222 A Q H ><5S+ 0 0 12 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.2 0.773 93.3 68.1 -69.2 -22.7 39.7 45.8 57.7 221 223 A M T <<5S+ 0 0 4 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.662 103.1 46.5 -68.1 -16.7 40.9 44.1 54.5 222 224 A A T < 5S- 0 0 42 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.247 121.2-113.1-100.8 7.5 39.2 47.0 52.7 223 225 A G T < 5 + 0 0 51 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.679 69.1 147.0 71.5 16.4 40.8 49.4 55.2 224 226 A L < - 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