==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 06-SEP-02 1MNZ . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.NOWAK,S.PANJIKAR,P.A.TUCKER . 387 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 70.3 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 . 43 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 38.2 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 2 A N 0 0 148 0, 0.0 306,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.4 41.3 38.6 87.0 2 3 A Y + 0 0 44 1,-0.2 308,-0.2 308,-0.1 309,-0.1 0.860 360.0 171.8 57.3 44.6 39.4 38.9 83.7 3 4 A Q - 0 0 143 307,-0.1 -1,-0.2 1,-0.0 2,-0.1 -0.741 25.2-135.0 -91.2 121.2 38.1 35.3 83.9 4 5 A P - 0 0 22 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.385 21.5-174.4 -74.9 151.9 35.4 34.4 81.3 5 6 A T > - 0 0 62 -2,-0.1 3,-2.4 1,-0.0 5,-0.4 -0.934 42.8 -98.8-134.1 161.4 32.2 32.5 82.1 6 7 A P G > S+ 0 0 66 0, 0.0 3,-2.1 0, 0.0 42,-0.1 0.788 117.3 69.1 -51.0 -32.6 29.4 31.2 79.9 7 8 A E G 3 S+ 0 0 158 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.717 85.3 69.2 -60.9 -21.2 27.2 34.2 80.7 8 9 A D G < S- 0 0 40 -3,-2.4 -1,-0.3 38,-0.2 275,-0.1 0.593 102.4-133.5 -72.9 -10.6 29.7 36.4 78.6 9 10 A R < + 0 0 53 -3,-2.1 274,-2.7 -4,-0.2 2,-0.4 0.761 41.0 167.9 65.4 34.7 28.4 34.6 75.5 10 11 A F E +a 283 0A 1 -5,-0.4 38,-3.0 36,-0.3 39,-1.3 -0.619 8.9 179.2 -81.2 128.5 31.9 33.9 74.0 11 12 A T E -ab 284 49A 0 272,-2.1 274,-2.7 -2,-0.4 2,-0.3 -0.896 12.8-161.0-130.2 160.3 31.8 31.5 71.1 12 13 A F E -ab 285 50A 0 37,-1.3 39,-1.7 -2,-0.3 2,-0.2 -1.000 22.2-116.5-141.0 140.6 34.3 29.9 68.7 13 14 A G E >> - b 0 51A 0 272,-1.3 3,-1.9 -2,-0.3 4,-0.7 -0.463 23.0-127.8 -70.8 145.9 34.2 28.2 65.3 14 15 A L H 3> S+ 0 0 13 37,-2.5 4,-1.2 1,-0.3 -1,-0.1 0.868 112.2 57.7 -55.5 -34.4 35.3 24.6 65.2 15 16 A W H 34 S+ 0 0 45 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.487 97.5 63.5 -76.9 -3.6 37.6 25.6 62.3 16 17 A T H X4 S+ 0 0 0 -3,-1.9 3,-2.1 2,-0.2 -2,-0.1 0.936 115.7 23.1 -83.0 -76.6 39.5 28.3 64.5 17 18 A V H 3< S+ 0 0 0 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.791 124.8 59.4 -59.4 -27.8 41.1 26.2 67.3 18 19 A G T 3< S+ 0 0 19 -4,-1.2 15,-0.3 -5,-0.4 2,-0.3 0.417 73.2 127.6 -81.6 -0.2 40.9 23.2 64.8 19 20 A W < - 0 0 52 -3,-2.1 -3,-0.1 1,-0.2 -4,-0.0 -0.429 49.2-156.1 -65.4 124.1 43.0 25.0 62.1 20 21 A Q - 0 0 83 -2,-0.3 9,-2.2 9,-0.1 10,-1.9 0.546 40.7-108.7 -79.6 -9.0 45.9 22.6 61.1 21 22 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.2 270,-0.1 0.578 61.2 153.5 95.9 11.8 48.1 25.5 59.9 22 23 A R + 0 0 185 6,-0.1 -1,-0.3 2,-0.1 5,-0.2 -0.669 19.8 173.3 -72.9 128.5 48.1 25.0 56.1 23 24 A D B > -F 26 0B 62 3,-1.4 3,-1.4 -2,-0.4 5,-0.0 -0.626 52.4 -80.0-128.6-178.2 48.8 28.5 54.5 24 25 A P T 3 S+ 0 0 106 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.579 130.3 24.9 -62.8 -11.3 49.4 29.7 51.0 25 26 A F T 3 S+ 0 0 198 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.080 116.5 60.0-142.7 12.2 53.2 28.5 51.2 26 27 A G B < -F 23 0B 16 -3,-1.4 -3,-1.4 0, 0.0 3,-0.1 -0.998 66.0-121.0-158.4 150.4 53.2 25.7 53.9 27 28 A D - 0 0 134 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.1 -0.268 56.4 -65.8 -81.6 170.2 52.0 22.3 55.0 28 29 A A - 0 0 52 1,-0.1 -7,-0.2 -6,-0.1 -1,-0.2 -0.288 35.8-171.3 -58.2 142.5 50.1 21.5 58.2 29 30 A T + 0 0 63 -9,-2.2 2,-0.3 1,-0.1 -8,-0.2 0.461 69.9 45.7-109.6 -8.0 51.9 22.0 61.5 30 31 A R S S- 0 0 17 -10,-1.9 -1,-0.1 264,-0.1 3,-0.1 -0.986 82.9-110.5-134.7 149.5 49.2 20.4 63.8 31 32 A R - 0 0 130 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.277 47.9 -88.2 -66.9 158.4 47.1 17.2 63.7 32 33 A A - 0 0 58 1,-0.1 2,-0.4 -12,-0.0 -1,-0.1 -0.407 42.2-131.4 -65.1 146.0 43.3 17.4 63.1 33 34 A L - 0 0 23 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.0 -0.786 12.2-123.0 -98.5 140.2 41.2 17.8 66.2 34 35 A D >> - 0 0 55 -2,-0.4 4,-1.7 1,-0.1 3,-1.1 -0.686 23.9-129.2 -70.6 129.1 38.1 15.7 67.0 35 36 A P H 3> S+ 0 0 26 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.812 108.7 61.6 -48.1 -34.1 35.1 18.2 67.4 36 37 A V H 3> S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.890 103.4 48.0 -59.7 -44.0 34.4 16.5 70.7 37 38 A E H <> S+ 0 0 69 -3,-1.1 4,-2.8 2,-0.2 5,-0.3 0.912 110.7 51.4 -63.6 -41.5 37.8 17.4 72.1 38 39 A S H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.929 108.7 50.6 -62.1 -41.9 37.4 21.1 71.0 39 40 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.930 114.1 45.9 -58.3 -47.1 34.0 21.4 72.7 40 41 A R H X S+ 0 0 132 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.936 114.6 45.2 -62.3 -48.0 35.5 20.0 76.0 41 42 A R H X S+ 0 0 68 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.914 113.8 49.1 -68.3 -40.1 38.6 22.2 75.9 42 43 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 -5,-0.3 3,-0.5 0.923 108.8 53.1 -65.0 -41.0 36.7 25.4 75.1 43 44 A A H ><5S+ 0 0 28 -4,-2.1 3,-1.5 -5,-0.3 -1,-0.2 0.897 105.0 55.8 -57.7 -43.8 34.2 24.7 77.9 44 45 A E H 3<5S+ 0 0 140 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.801 105.7 52.4 -61.4 -24.8 37.1 24.3 80.3 45 46 A L T 3<5S- 0 0 40 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.499 126.4 -99.3 -86.1 -6.8 38.3 27.9 79.3 46 47 A G T < 5 + 0 0 10 -3,-1.5 -36,-0.3 -4,-0.4 -38,-0.2 0.586 67.3 155.5 96.3 13.9 34.8 29.4 80.0 47 48 A A < - 0 0 3 -5,-2.1 -1,-0.2 1,-0.1 -36,-0.2 -0.288 38.4-146.8 -67.7 157.7 33.4 29.6 76.5 48 49 A H - 0 0 37 -38,-3.0 36,-2.0 1,-0.2 2,-0.3 0.710 65.6 -34.8 -90.9 -32.9 29.6 29.6 76.0 49 50 A G E -bc 11 84A 0 -39,-1.3 -37,-1.3 34,-0.3 2,-0.3 -0.982 49.9-110.5-174.8-174.6 29.4 27.7 72.7 50 51 A V E -b 12 0A 0 34,-2.2 37,-0.5 -2,-0.3 2,-0.3 -0.883 15.2-153.0-136.0 159.7 30.8 26.7 69.3 51 52 A T E -b 13 0A 0 -39,-1.7 -37,-2.5 -2,-0.3 2,-0.3 -0.862 16.0-165.3-130.3 167.0 29.8 27.2 65.6 52 53 A F E -g 88 0C 0 35,-0.7 37,-2.2 -2,-0.3 2,-0.3 -0.998 25.5-131.1-153.1 148.0 30.5 25.1 62.5 53 54 A H E >> -g 89 0C 17 -2,-0.3 3,-1.9 35,-0.2 4,-1.1 -0.786 45.2-110.1 -80.9 147.8 30.5 24.8 58.8 54 55 A D H >> S+ 0 0 14 35,-1.5 4,-2.4 -2,-0.3 3,-0.9 0.888 119.3 49.7 -36.0 -55.1 28.7 21.6 57.6 55 56 A D H 34 S+ 0 0 43 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.557 101.1 62.2 -78.1 -8.0 32.0 20.0 56.5 56 57 A D H <4 S+ 0 0 51 -3,-1.9 -1,-0.3 3,-0.1 -2,-0.2 0.773 115.4 32.3 -75.5 -34.7 33.8 20.8 59.9 57 58 A L H << S+ 0 0 4 -4,-1.1 -2,-0.2 -3,-0.9 -3,-0.1 0.822 129.4 32.8 -91.3 -40.1 31.3 18.5 61.7 58 59 A I S < S- 0 0 9 -4,-2.4 -1,-0.3 -5,-0.2 3,-0.1 -0.977 91.6-119.8-119.0 110.2 30.5 15.9 59.0 59 60 A P > - 0 0 65 0, 0.0 3,-1.5 0, 0.0 -3,-0.1 -0.245 42.3 -94.3 -53.0 138.0 33.4 15.0 56.7 60 61 A F T 3 S+ 0 0 100 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.282 111.7 24.7 -51.5 132.4 32.5 15.8 53.1 61 62 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.552 84.9 158.9 93.7 5.2 31.1 12.7 51.4 62 63 A S < - 0 0 26 -3,-1.5 -1,-0.2 -4,-0.1 -4,-0.0 -0.356 41.0-117.6 -69.9 146.0 29.9 10.9 54.6 63 64 A S > - 0 0 49 1,-0.1 4,-2.8 -2,-0.0 5,-0.2 -0.249 31.4-105.7 -66.6 165.7 27.2 8.1 54.4 64 65 A D H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 123.2 50.2 -62.3 -43.6 23.9 8.7 56.2 65 66 A S H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 112.0 48.2 -63.9 -41.5 24.9 6.2 59.0 66 67 A E H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 110.5 52.0 -65.0 -40.2 28.3 8.0 59.4 67 68 A R H X S+ 0 0 47 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.926 107.5 51.9 -55.3 -46.9 26.6 11.4 59.5 68 69 A E H X S+ 0 0 124 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.897 110.8 48.0 -59.3 -42.0 24.3 10.2 62.3 69 70 A E H X S+ 0 0 97 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.892 109.9 50.7 -68.7 -44.8 27.2 9.0 64.4 70 71 A H H X S+ 0 0 57 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.921 115.1 44.0 -56.5 -44.7 29.2 12.3 64.0 71 72 A V H X S+ 0 0 10 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.930 112.0 53.0 -68.3 -43.0 26.1 14.3 65.1 72 73 A K H X S+ 0 0 124 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.918 110.9 46.1 -56.8 -47.8 25.3 11.9 67.9 73 74 A R H X S+ 0 0 91 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.907 113.8 49.3 -65.1 -41.1 28.9 12.2 69.4 74 75 A F H X S+ 0 0 2 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.935 109.4 50.9 -64.6 -45.2 28.8 16.0 69.0 75 76 A R H X S+ 0 0 87 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.860 108.2 53.3 -60.2 -38.4 25.4 16.3 70.8 76 77 A Q H X S+ 0 0 98 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.898 108.3 49.9 -63.0 -41.2 26.8 14.1 73.6 77 78 A A H X S+ 0 0 2 -4,-1.8 4,-1.1 2,-0.2 6,-0.3 0.912 111.0 49.1 -63.9 -42.0 29.8 16.5 74.0 78 79 A L H >X>S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 5,-0.7 0.935 114.0 46.1 -59.2 -44.6 27.4 19.6 74.1 79 80 A D H 3<5S+ 0 0 106 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.846 110.4 53.4 -67.6 -35.6 25.2 17.8 76.7 80 81 A D H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.711 123.1 27.7 -67.3 -27.6 28.3 16.8 78.8 81 82 A T H <<5S- 0 0 48 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.597 98.5-119.8-113.6 -20.5 29.5 20.4 78.9 82 83 A G T <5 + 0 0 46 -4,-2.2 -3,-0.2 1,-0.3 -4,-0.1 0.537 59.5 154.0 79.3 9.7 26.5 22.8 78.7 83 84 A M < - 0 0 7 -5,-0.7 -1,-0.3 -6,-0.3 -34,-0.3 -0.401 30.1-148.3 -70.1 144.9 27.9 24.3 75.5 84 85 A K B -c 49 0A 116 -36,-2.0 -34,-2.2 -2,-0.1 45,-0.1 -0.684 12.3-139.1-110.6 167.7 25.5 25.8 72.9 85 86 A V + 0 0 5 43,-0.5 -34,-0.1 -2,-0.2 -36,-0.1 -0.829 29.5 164.7-124.8 86.4 25.5 26.2 69.1 86 87 A P + 0 0 5 0, 0.0 45,-1.8 0, 0.0 46,-1.6 0.680 63.9 23.3 -81.8 -15.7 24.1 29.7 68.3 87 88 A M E + h 0 132C 2 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.996 58.3 179.2-147.9 147.0 25.2 29.9 64.7 88 89 A A E -gh 52 133C 0 44,-1.5 46,-2.2 -2,-0.3 2,-0.3 -0.934 6.4-174.6-142.5 170.3 26.1 27.6 61.8 89 90 A T E -gh 53 134C 6 -37,-2.2 -35,-1.5 -2,-0.3 2,-0.4 -0.916 24.4-104.3-155.0 173.4 27.2 28.1 58.2 90 91 A T - 0 0 10 44,-0.6 2,-1.1 -2,-0.3 46,-0.3 -0.895 23.0-128.0-108.8 140.1 27.9 26.2 54.9 91 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.767 42.7 155.8 -86.8 101.8 31.4 25.5 53.4 92 93 A L + 0 0 19 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.166 65.6 53.1-112.0 35.2 30.9 26.9 49.8 93 94 A F S S+ 0 0 35 45,-0.1 -1,-0.1 8,-0.0 8,-0.1 0.620 88.6 61.9-143.6 -23.3 34.6 27.5 49.3 94 95 A T S S+ 0 0 92 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.932 82.3 79.1 -79.2 -47.0 37.0 24.5 49.9 95 96 A H S > S- 0 0 68 -4,-0.2 3,-2.3 1,-0.1 4,-0.1 -0.366 85.2-123.4 -67.6 139.9 35.9 21.8 47.4 96 97 A P G > S+ 0 0 94 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.749 106.2 74.0 -56.7 -22.8 37.2 22.5 43.8 97 98 A V G 3 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.821 94.3 54.7 -57.8 -30.3 33.6 22.5 42.5 98 99 A F G X + 0 0 0 -3,-2.3 3,-2.2 1,-0.2 -1,-0.3 0.230 69.7 119.6 -90.5 18.3 33.2 26.0 44.1 99 100 A K T < S+ 0 0 154 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.752 86.4 31.6 -59.9 -24.9 36.3 27.4 42.3 100 101 A D T 3 S- 0 0 34 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.197 130.9 -77.4-110.6 14.8 34.1 30.1 40.6 101 102 A G < - 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0 0 25 -4,-0.9 4,-2.5 -3,-0.8 3,-0.6 -0.548 63.8-146.7 -73.4 121.8 34.4 59.3 84.7 323 324 A P H 3> S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.826 100.4 56.1 -56.7 -29.5 32.9 62.8 85.6 324 325 A E H 3> S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.869 108.9 46.5 -69.7 -37.6 36.0 64.4 84.0 325 326 A V H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.916 109.6 53.9 -65.0 -44.0 35.3 62.6 80.7 326 327 A Q H X S+ 0 0 76 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.924 110.3 47.5 -59.6 -41.7 31.6 63.6 81.0 327 328 A E H X S+ 0 0 116 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.917 111.3 50.7 -63.4 -43.7 32.7 67.3 81.3 328 329 A A H X S+ 0 0 3 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.865 106.5 55.0 -62.5 -38.1 35.1 66.9 78.3 329 330 A L H <>S+ 0 0 28 -4,-2.7 5,-2.4 2,-0.2 6,-0.4 0.902 110.6 45.5 -62.1 -41.8 32.3 65.4 76.2 330 331 A R H ><5S+ 0 0 144 -4,-1.8 3,-1.6 -5,-0.2 -2,-0.2 0.910 109.5 54.9 -65.7 -41.1 30.1 68.5 76.9 331 332 A A H 3<5S+ 0 0 42 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.836 110.5 47.0 -60.2 -32.6 33.2 70.8 76.2 332 333 A S T 3<5S- 0 0 3 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.320 115.4-119.4 -89.2 0.3 33.4 69.0 72.8 333 334 A R T <>5 + 0 0 57 -3,-1.6 4,-1.8 -5,-0.1 -3,-0.2 0.721 64.8 144.2 66.6 31.0 29.6 69.4 72.2 334 335 A L H >4 S+ 0 0 108 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.837 102.2 62.0 -69.6 -33.2 24.7 69.0 70.9 337 338 A L H 3< S+ 0 0 141 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.844 102.2 52.5 -56.6 -36.6 25.4 66.3 68.2 338 339 A A T 3< S+ 0 0 89 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.469 93.7 88.5 -82.7 -2.7 22.5 64.2 69.7 339 340 A R S < S- 0 0 135 -3,-1.4 -3,-0.0 -4,-0.2 0, 0.0 -0.782 90.7 -96.8 -92.4 143.4 20.0 67.1 69.5 340 341 A P - 0 0 104 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.193 21.8-139.8 -55.1 141.4 17.9 67.7 66.3 341 342 A T S S+ 0 0 144 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.885 93.3 6.3 -63.1 -42.5 19.2 70.3 63.9 342 343 A A > + 0 0 33 1,-0.1 3,-2.0 2,-0.0 -1,-0.2 -0.370 61.0 153.0-151.1 64.8 15.7 71.7 63.2 343 344 A A T 3 S+ 0 0 95 -3,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.740 78.0 70.7 -65.3 -17.6 12.8 70.3 65.2 344 345 A D T 3 S- 0 0 98 1,-0.2 4,-0.4 -3,-0.1 -1,-0.3 0.585 109.3-123.4 -69.4 -17.2 11.2 73.8 64.5 345 346 A G <> - 0 0 29 -3,-2.0 4,-2.1 1,-0.1 -1,-0.2 0.019 25.7 -63.6 93.7 168.0 10.8 72.6 60.9 346 347 A L H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.890 126.7 49.0 -59.0 -46.3 11.8 73.8 57.5 347 348 A Q H > S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 111.2 50.0 -66.8 -40.2 9.9 77.1 57.3 348 349 A A H > S+ 0 0 37 -4,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.905 110.5 51.1 -60.6 -41.2 11.2 78.2 60.8 349 350 A L H >< S+ 0 0 71 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.931 109.9 49.4 -63.6 -44.3 14.8 77.4 59.7 350 351 A L H 3< S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 113.8 46.5 -61.9 -34.0 14.3 79.5 56.5 351 352 A D H 3< S+ 0 0 113 -4,-1.7 2,-1.0 -5,-0.2 -1,-0.2 0.495 87.5 104.1 -91.2 -2.7 12.9 82.5 58.6 352 353 A D X< - 0 0 58 -3,-0.9 3,-1.9 -4,-0.7 4,-0.2 -0.679 48.8-171.8 -84.7 102.6 15.7 82.3 61.2 353 354 A R G > >S+ 0 0 132 -2,-1.0 5,-3.4 1,-0.3 3,-1.3 0.782 83.2 67.8 -64.7 -23.7 18.1 85.2 60.6 354 355 A S G 3 5S+ 0 0 68 1,-0.2 -1,-0.3 3,-0.2 6,-0.1 0.668 95.1 57.9 -68.7 -14.9 20.5 83.7 63.2 355 356 A A G < 5S- 0 0 43 -3,-1.9 -1,-0.2 -6,-0.2 -2,-0.2 0.484 133.3 -16.2 -91.1 -3.4 21.1 80.7 60.8 356 357 A F T X 5S+ 0 0 169 -3,-1.3 3,-1.4 -4,-0.2 5,-0.1 0.148 128.8 48.2-157.8 -73.0 22.3 82.9 57.9 357 358 A E T 3 5S+ 0 0 104 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.843 129.6 23.4 -56.8 -38.6 21.9 86.7 57.7 358 359 A E T 3 + 0 0 98 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 -0.622 25.6 177.6 -84.7 89.5 28.7 85.2 63.2 361 362 A V H > S+ 0 0 91 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.828 75.2 54.7 -67.0 -33.6 30.7 82.7 61.2 362 363 A D H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.894 108.1 47.9 -72.2 -40.0 34.1 84.0 62.5 363 364 A A H > S+ 0 0 48 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.911 113.6 48.1 -65.7 -38.2 33.1 83.6 66.2 364 365 A A H >< S+ 0 0 21 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.948 111.3 50.8 -65.6 -43.8 31.8 80.0 65.5 365 366 A A H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 103.7 59.4 -63.3 -33.1 35.0 79.1 63.6 366 367 A A H 3< S+ 0 0 86 -4,-1.7 2,-0.6 -5,-0.1 -1,-0.3 0.650 81.0 101.5 -70.3 -16.9 37.2 80.4 66.5 367 368 A R S << S- 0 0 155 -3,-1.3 -4,-0.0 -4,-0.6 -3,-0.0 -0.563 71.4-136.2 -75.9 114.5 35.7 77.9 69.0 368 369 A G - 0 0 58 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.1 -0.333 2.9-139.3 -66.6 149.6 38.0 75.0 69.5 369 370 A M - 0 0 79 1,-0.0 -1,-0.1 -36,-0.0 -2,-0.0 0.653 22.0-143.0 -83.2 -15.9 36.5 71.4 69.6 370 371 A A > + 0 0 51 1,-0.1 4,-1.6 3,-0.1 -38,-0.1 0.753 52.2 141.0 59.4 29.1 38.8 70.2 72.5 371 372 A F H > + 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.821 61.0 58.1 -73.6 -28.2 39.0 66.8 70.9 372 373 A E H > S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 106.3 47.7 -70.5 -42.6 42.7 66.2 71.8 373 374 A R H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 112.9 50.3 -59.4 -44.7 42.2 66.6 75.5 374 375 A L H X S+ 0 0 22 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.937 111.7 48.0 -57.6 -45.0 39.1 64.2 75.2 375 376 A D H X S+ 0 0 45 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.837 107.9 53.4 -70.5 -30.2 41.3 61.6 73.3 376 377 A Q H X S+ 0 0 99 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.874 106.8 53.1 -74.6 -31.3 44.2 61.8 75.8 377 378 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.907 109.5 49.9 -61.1 -40.6 41.6 61.0 78.6 378 379 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.905 111.3 48.1 -62.9 -42.5 40.6 58.0 76.5 379 380 A M H X S+ 0 0 49 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 110.0 52.0 -60.1 -46.6 44.3 56.9 76.1 380 381 A D H X>S+ 0 0 39 -4,-2.7 5,-2.9 1,-0.2 4,-0.6 0.909 111.2 47.8 -58.9 -44.0 44.9 57.3 79.9 381 382 A H H ><5S+ 0 0 23 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.940 111.1 50.0 -62.9 -46.1 41.8 55.1 80.6 382 383 A L H 3<5S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.913 116.5 41.9 -55.8 -45.7 42.9 52.3 78.1 383 384 A L H 3<5S- 0 0 109 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.465 109.4-117.9 -85.4 -0.1 46.4 52.2 79.5 384 385 A G T <<5S+ 0 0 58 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.934 76.8 126.9 64.2 38.4 45.5 52.4 83.2 385 386 A A < + 0 0 54 -5,-2.9 2,-0.4 -6,-0.2 -4,-0.2 -0.282 24.0 148.3-121.6 37.6 47.4 55.7 83.5 386 387 A R 0 0 77 -6,-0.3 -9,-0.0 -5,-0.1 0, 0.0 -0.737 360.0 360.0 -79.2 127.9 44.8 58.1 85.0 387 388 A G 0 0 107 -2,-0.4 -2,-0.1 0, 0.0 -7,-0.0 -0.878 360.0 360.0-120.2 360.0 46.2 60.8 87.3