==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-APR-13 4KAJ . COMPND 2 MOLECULE: PENTAETHYLENE GLYCOL; . SOURCE 2 SYNTHETIC: YES . AUTHOR A.KUZIN,S.LEW,T.K.NEKLESA,D.NOBLIN,J.SEETHARAMAN,M.MAGLAQUI, . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.7 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 . 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 . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 0 0 2 1 1 1 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 1 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 -7 A H 0 0 199 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.4 15.5 -11.3 30.0 2 -6 A H - 0 0 184 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.869 360.0-147.2-130.1 160.2 11.8 -10.4 30.2 3 -5 A H - 0 0 139 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.952 24.3-117.0-123.9 148.5 9.0 -10.3 32.8 4 -4 A H 0 0 183 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.686 360.0 360.0 -82.0 136.5 5.3 -11.0 32.3 5 -3 A H 0 0 201 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.964 360.0 360.0-171.2 360.0 2.8 -8.1 32.9 6 ! 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 7 3 A E 0 0 210 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 152.2 -7.6 0.7 27.0 8 4 A I - 0 0 48 1,-0.1 272,-0.0 272,-0.1 46,-0.0 -0.569 360.0-106.6 -65.9 123.2 -10.4 0.6 24.3 9 5 A G - 0 0 25 -2,-0.4 -1,-0.1 1,-0.1 45,-0.1 -0.241 33.1-173.7 -62.0 140.2 -10.0 -2.8 22.7 10 6 A T + 0 0 33 43,-0.1 -1,-0.1 -3,-0.0 182,-0.1 0.578 55.5 96.7-105.8 -16.7 -8.5 -3.1 19.3 11 7 A G - 0 0 39 1,-0.1 -2,-0.0 2,-0.0 178,-0.0 -0.231 61.5-148.3 -72.7 162.0 -9.0 -6.8 18.8 12 8 A F + 0 0 34 2,-0.0 2,-1.5 42,-0.0 -1,-0.1 -0.720 21.1 176.1-128.0 79.2 -11.9 -8.4 16.9 13 9 A P + 0 0 110 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 -0.251 36.0 118.5 -86.0 49.9 -12.4 -11.7 18.8 14 10 A F - 0 0 23 -2,-1.5 17,-0.1 17,-0.0 3,-0.1 -0.969 64.3-123.1-120.6 129.4 -15.5 -12.9 16.9 15 11 A D - 0 0 126 -2,-0.5 15,-0.4 15,-0.1 2,-0.2 -0.405 37.1-109.2 -60.4 136.8 -15.7 -16.1 14.8 16 12 A P - 0 0 64 0, 0.0 2,-0.4 0, 0.0 13,-0.1 -0.483 33.4-167.7 -69.0 135.4 -16.7 -15.4 11.3 17 13 A H E -A 28 0A 57 11,-1.3 11,-2.3 -2,-0.2 2,-0.4 -0.968 5.4-163.5-117.2 144.6 -20.2 -16.5 10.3 18 14 A Y E +A 27 0A 101 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.955 11.7 178.6-127.8 146.3 -21.4 -16.6 6.7 19 15 A V E -A 26 0A 27 7,-1.9 7,-2.7 -2,-0.4 2,-0.5 -0.990 31.6-119.6-142.0 142.1 -24.7 -16.8 4.9 20 16 A E E -A 25 0A 119 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.723 33.9-178.3 -83.2 127.1 -25.5 -16.8 1.2 21 17 A V E > -A 24 0A 2 3,-3.6 3,-1.9 -2,-0.5 74,-0.1 -0.976 67.6 -21.5-133.7 116.0 -27.7 -13.8 0.4 22 18 A L T 3 S- 0 0 72 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.865 128.5 -51.5 51.1 37.7 -29.0 -13.3 -3.2 23 19 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.508 121.5 101.9 82.8 5.0 -26.1 -15.5 -4.4 24 20 A E E < S-A 21 0A 53 -3,-1.9 -3,-3.6 53,-0.1 2,-0.5 -0.903 73.5-115.5-121.2 150.7 -23.4 -13.6 -2.5 25 21 A R E -A 20 0A 99 -2,-0.3 52,-3.5 -5,-0.2 2,-0.4 -0.739 30.0-167.4 -89.8 124.0 -21.6 -14.5 0.7 26 22 A X E -A 19 0A 0 -7,-2.7 -7,-1.9 -2,-0.5 2,-0.3 -0.914 9.8-142.5-110.6 139.9 -22.2 -12.1 3.6 27 23 A H E +A 18 0A 0 -2,-0.4 42,-2.7 42,-0.3 2,-0.3 -0.755 24.4 169.3 -97.2 144.4 -20.2 -12.1 6.8 28 24 A Y E -AB 17 68A 25 -11,-2.3 -11,-1.3 -2,-0.3 2,-0.3 -0.996 35.1-120.8-152.0 150.5 -21.6 -11.5 10.3 29 25 A V E - B 0 67A 0 38,-2.1 38,-1.9 -2,-0.3 2,-0.3 -0.709 30.7-177.3 -78.3 139.4 -20.8 -11.7 14.0 30 26 A D E + B 0 66A 15 -15,-0.4 2,-0.3 -2,-0.3 36,-0.2 -0.833 18.4 141.8-143.9 103.1 -23.2 -14.0 15.8 31 27 A V E + B 0 65A 36 34,-1.9 34,-2.6 -2,-0.3 -17,-0.0 -0.830 30.3 48.1-133.1 172.9 -22.8 -14.3 19.6 32 28 A G S S- 0 0 28 -2,-0.3 32,-0.2 32,-0.3 28,-0.1 -0.105 92.3 -21.3 86.1 176.1 -24.9 -14.6 22.7 33 29 A P - 0 0 43 0, 0.0 31,-0.1 0, 0.0 -2,-0.1 -0.117 52.4-134.5 -59.9 153.6 -27.9 -16.9 23.6 34 30 A R S S+ 0 0 138 29,-0.1 2,-0.1 30,-0.1 29,-0.0 0.672 81.8 63.4 -86.1 -21.2 -29.9 -18.6 20.8 35 31 A D S S+ 0 0 122 2,-0.1 29,-0.4 3,-0.0 0, 0.0 -0.356 81.0 40.9 -95.1 179.8 -33.4 -17.8 22.1 36 32 A G S S- 0 0 58 -2,-0.1 27,-0.1 27,-0.1 0, 0.0 -0.101 102.9 -31.4 77.6-177.0 -35.1 -14.5 22.8 37 33 A T - 0 0 32 67,-0.1 27,-0.3 1,-0.0 67,-0.1 -0.640 64.9-133.1 -81.6 126.0 -35.2 -11.4 20.6 38 34 A P - 0 0 10 0, 0.0 67,-2.3 0, 0.0 2,-0.6 -0.445 7.6-134.5 -78.6 153.0 -32.0 -10.8 18.7 39 35 A V E -cd 65 105A 0 25,-2.9 27,-2.8 65,-0.2 2,-0.6 -0.944 18.1-155.9-109.8 119.7 -30.2 -7.5 18.6 40 36 A L E -cd 66 106A 0 65,-3.1 67,-2.5 -2,-0.6 2,-0.5 -0.882 3.4-159.7-105.9 116.1 -29.1 -6.5 15.0 41 37 A F E - d 0 107A 0 25,-2.9 2,-0.5 -2,-0.6 67,-0.2 -0.828 6.8-168.9 -98.6 122.3 -26.2 -4.1 14.8 42 38 A L E - d 0 108A 3 65,-2.5 67,-1.3 -2,-0.5 70,-0.2 -0.941 3.8-160.2-118.9 118.1 -25.9 -2.2 11.5 43 39 A H - 0 0 0 -2,-0.5 2,-0.1 25,-0.5 6,-0.1 -0.289 6.5-154.1 -83.7 173.6 -22.7 -0.2 10.6 44 40 A G > + 0 0 0 67,-0.2 3,-1.2 4,-0.2 66,-0.1 -0.230 41.9 0.4-124.0-145.9 -22.4 2.6 8.1 45 41 A N T 3 S- 0 0 6 1,-0.3 66,-0.1 -2,-0.1 3,-0.1 -0.796 121.1 -7.2 -98.5 133.4 -19.7 4.3 5.9 46 42 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 160,-0.1 -0.594 115.4 81.5-109.3 48.6 -16.8 3.5 5.8 47 43 A T < - 0 0 4 -3,-1.2 27,-0.3 26,-0.1 2,-0.3 -0.019 51.4-155.6-103.7-161.9 -16.9 1.0 8.7 48 44 A S > - 0 0 10 25,-0.1 3,-2.6 21,-0.1 4,-0.3 -0.871 56.2 -60.8-156.7-172.0 -17.8 -2.7 9.2 49 45 A S G > S+ 0 0 2 1,-0.3 3,-2.1 -2,-0.3 4,-0.3 0.741 120.5 82.3 -53.6 -21.9 -18.9 -4.9 12.2 50 46 A Y G > S+ 0 0 6 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.800 78.9 66.0 -49.7 -31.1 -15.5 -3.9 13.6 51 47 A V G < S+ 0 0 3 -3,-2.6 3,-0.3 1,-0.3 -1,-0.3 0.755 101.4 48.0 -68.5 -21.0 -17.2 -0.7 14.8 52 48 A W G X> S+ 0 0 0 -3,-2.1 4,-2.6 -4,-0.3 3,-1.8 0.409 79.3 108.6 -94.9 0.6 -19.4 -2.7 17.2 53 49 A R T <4 S+ 0 0 3 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.744 84.3 36.5 -55.8 -33.5 -16.5 -4.8 18.6 54 50 A N T 34 S+ 0 0 30 -3,-0.3 -1,-0.3 -4,-0.2 233,-0.2 0.372 117.7 51.8-102.1 1.4 -16.5 -3.1 22.1 55 51 A I T X> S+ 0 0 1 -3,-1.8 3,-1.7 2,-0.1 4,-0.7 0.795 98.4 62.3-101.2 -46.4 -20.2 -2.6 22.4 56 52 A I H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 3,-1.2 0.858 92.3 64.1 -49.3 -45.2 -21.4 -6.2 21.6 57 53 A P H 34 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.765 99.9 55.2 -57.3 -21.5 -19.6 -7.8 24.6 58 54 A H H <4 S+ 0 0 63 -3,-1.7 -2,-0.2 1,-0.1 4,-0.2 0.810 116.3 35.5 -76.6 -29.2 -21.9 -5.7 26.9 59 55 A V H XX S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.7 3,-1.5 0.796 99.0 78.3 -94.8 -35.6 -25.1 -7.1 25.3 60 56 A A T 3< S+ 0 0 21 -4,-2.8 -1,-0.1 1,-0.3 -2,-0.1 0.707 80.7 67.3 -50.1 -32.3 -24.1 -10.7 24.5 61 57 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.898 120.2 18.9 -60.1 -33.9 -24.5 -12.0 28.0 62 58 A T T <4 S+ 0 0 87 -3,-1.5 2,-0.3 -4,-0.2 -2,-0.2 0.619 126.4 37.9-109.6 -20.4 -28.3 -11.5 27.8 63 59 A H S < S- 0 0 34 -4,-2.1 2,-0.2 -27,-0.1 -1,-0.2 -0.984 78.5-106.1-138.5 148.0 -29.1 -11.2 24.0 64 60 A R - 0 0 41 -29,-0.4 -25,-2.9 -2,-0.3 2,-0.5 -0.506 36.9-153.2 -62.8 133.4 -28.1 -12.7 20.7 65 61 A C E -Bc 31 39A 0 -34,-2.6 -34,-1.9 -2,-0.2 2,-0.5 -0.973 13.1-175.4-116.4 123.9 -26.0 -10.1 18.8 66 62 A I E +Bc 30 40A 0 -27,-2.8 -25,-2.9 -2,-0.5 -36,-0.2 -0.977 5.5 174.0-119.7 121.4 -25.9 -10.2 15.0 67 63 A A E -B 29 0A 0 -38,-1.9 -38,-2.1 -2,-0.5 2,-0.1 -0.827 10.8-169.0-132.8 93.3 -23.6 -7.7 13.3 68 64 A P E -B 28 0A 0 0, 0.0 2,-0.6 0, 0.0 -25,-0.5 -0.455 23.5-125.5 -78.0 151.6 -23.4 -8.1 9.5 69 65 A D - 0 0 2 -42,-2.7 -42,-0.3 -2,-0.1 3,-0.1 -0.881 39.6-112.3 -87.1 125.7 -20.9 -6.5 7.2 70 66 A L > - 0 0 0 -2,-0.6 3,-2.2 1,-0.1 6,-0.3 -0.202 46.7 -79.2 -53.3 149.0 -22.9 -4.7 4.5 71 67 A I T 3 S+ 0 0 1 1,-0.3 7,-0.2 17,-0.1 -1,-0.1 -0.250 122.5 20.3 -50.3 136.3 -22.5 -6.1 1.0 72 68 A G T 3 S+ 0 0 1 5,-2.5 -1,-0.3 1,-0.2 2,-0.3 0.480 116.4 86.4 80.3 1.5 -19.2 -4.9 -0.6 73 69 A X S X S- 0 0 0 -3,-2.2 3,-2.3 4,-0.2 -1,-0.2 -0.832 83.0 -4.8-132.5 168.9 -17.8 -4.1 2.9 74 70 A G T 3 S- 0 0 8 -27,-0.3 -26,-0.1 -2,-0.3 -3,-0.0 -0.224 126.2 -27.8 50.4-130.4 -16.0 -5.8 5.8 75 71 A K T 3 S+ 0 0 86 -48,-0.1 -1,-0.3 2,-0.0 -47,-0.1 0.281 110.4 111.7 -96.1 7.3 -15.6 -9.5 5.1 76 72 A S S < S- 0 0 2 -3,-2.3 -50,-0.2 -6,-0.3 -6,-0.1 -0.405 79.8 -84.4 -76.5 161.7 -18.7 -9.8 2.9 77 73 A D - 0 0 53 -52,-3.5 -5,-2.5 1,-0.1 -4,-0.2 -0.133 32.5-138.2 -63.6 164.5 -18.4 -10.5 -0.8 78 74 A K - 0 0 62 -7,-0.2 -1,-0.1 -6,-0.1 -7,-0.0 -0.605 23.5-178.6-129.0 68.2 -17.8 -7.6 -3.2 79 75 A P - 0 0 20 0, 0.0 2,-2.1 0, 0.0 -55,-0.0 -0.229 46.2 -95.5 -62.3 162.0 -19.9 -8.0 -6.4 80 76 A D S S+ 0 0 169 2,-0.0 2,-0.2 124,-0.0 122,-0.0 -0.509 75.1 142.0 -81.0 74.6 -19.5 -5.5 -9.2 81 77 A L - 0 0 47 -2,-2.1 123,-0.1 1,-0.1 0, 0.0 -0.625 64.7-123.1-108.0 168.1 -22.5 -3.3 -8.1 82 78 A G - 0 0 23 -2,-0.2 126,-0.1 126,-0.0 -1,-0.1 0.662 41.4-139.0 -78.7 -17.2 -23.1 0.4 -8.0 83 79 A Y + 0 0 7 1,-0.1 -3,-0.0 125,-0.1 -2,-0.0 0.864 36.6 171.5 55.3 39.9 -23.7 0.0 -4.2 84 80 A F >> - 0 0 80 1,-0.1 4,-1.7 127,-0.0 3,-0.9 -0.306 52.7-102.7 -61.1 160.6 -26.7 2.4 -4.3 85 81 A F H 3> S+ 0 0 1 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.908 125.4 62.1 -52.2 -41.2 -28.7 2.6 -1.1 86 82 A D H 3> S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.834 101.3 50.7 -51.2 -41.1 -31.2 0.5 -3.0 87 83 A D H <> S+ 0 0 43 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.913 109.9 48.9 -67.1 -43.1 -28.7 -2.3 -3.3 88 84 A H H X S+ 0 0 2 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.880 110.6 52.1 -63.1 -37.6 -27.9 -2.3 0.4 89 85 A V H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.930 109.5 48.3 -63.3 -46.9 -31.6 -2.4 1.1 90 86 A R H X S+ 0 0 157 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.934 116.1 43.1 -61.0 -46.3 -32.1 -5.4 -1.1 91 87 A F H X S+ 0 0 19 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.897 114.3 49.0 -68.6 -38.6 -29.2 -7.3 0.5 92 88 A X H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.916 110.5 51.2 -71.3 -39.4 -30.1 -6.3 4.1 93 89 A D H X S+ 0 0 43 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.937 114.0 44.7 -54.6 -48.8 -33.7 -7.4 3.6 94 90 A A H X S+ 0 0 20 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.804 109.6 55.8 -71.9 -29.5 -32.6 -10.7 2.2 95 91 A F H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.936 108.3 47.9 -62.2 -47.9 -30.0 -11.1 5.0 96 92 A I H <>S+ 0 0 2 -4,-2.3 5,-2.0 1,-0.2 -2,-0.2 0.901 115.5 44.8 -64.2 -39.8 -32.6 -10.7 7.6 97 93 A E H ><5S+ 0 0 104 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.885 108.3 57.2 -70.1 -39.0 -34.9 -13.2 5.8 98 94 A A H 3<5S+ 0 0 53 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.845 107.7 47.8 -62.1 -33.6 -32.0 -15.7 5.2 99 95 A L T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.487 110.3-127.6 -83.0 -5.1 -31.3 -15.8 9.0 100 96 A G T < 5 + 0 0 50 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.814 44.0 173.5 62.4 33.0 -35.0 -16.3 9.5 101 97 A L < + 0 0 9 -5,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.430 11.8 177.3 -71.0 144.9 -35.2 -13.5 12.0 102 98 A E + 0 0 147 1,-0.6 2,-0.3 -2,-0.1 -1,-0.1 0.649 63.9 13.5-112.0 -86.5 -38.7 -12.6 13.2 103 99 A E S S+ 0 0 64 24,-0.1 -1,-0.6 25,-0.0 2,-0.3 -0.712 78.0 178.8 -87.3 148.5 -38.9 -9.8 15.8 104 100 A V E - e 0 127A 0 22,-2.7 24,-2.9 -2,-0.3 25,-0.6 -0.979 31.4-136.3-143.0 159.6 -35.7 -7.8 16.3 105 101 A V E -de 39 129A 5 -67,-2.3 -65,-3.1 -2,-0.3 2,-0.4 -0.967 31.1-143.3-108.9 134.4 -34.1 -4.9 18.2 106 102 A L E -de 40 130A 1 23,-2.6 25,-3.2 -2,-0.4 2,-0.4 -0.814 19.2-174.6-101.4 140.3 -32.0 -2.6 16.0 107 103 A V E +de 41 131A 0 -67,-2.5 -65,-2.5 -2,-0.4 2,-0.3 -0.971 29.0 172.2-127.4 113.2 -28.8 -0.8 17.0 108 104 A I E -de 42 132A 0 23,-2.7 25,-1.0 -2,-0.4 2,-0.3 -0.885 20.4-179.1-136.6 155.9 -27.9 1.4 14.1 109 105 A H E > - e 0 133A 2 -67,-1.3 3,-2.0 -2,-0.3 4,-0.3 -0.994 55.1 -27.2-154.7 139.8 -25.4 4.1 13.0 110 106 A D E >> S- e 0 135A 16 24,-1.6 3,-1.7 23,-1.0 4,-1.0 -0.199 132.9 -3.1 56.9-134.9 -24.7 6.3 10.0 111 107 A W H 3> S+ 0 0 4 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.782 132.4 66.1 -60.8 -24.4 -25.9 4.6 6.8 112 108 A G H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.825 95.9 56.8 -61.4 -31.8 -26.8 1.6 8.9 113 109 A S H <> S+ 0 0 0 -3,-1.7 4,-3.1 -4,-0.3 5,-0.3 0.884 103.4 52.0 -69.2 -36.1 -29.5 3.9 10.5 114 110 A A H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 5,-0.2 0.942 112.9 45.6 -64.9 -44.7 -31.0 4.6 7.1 115 111 A L H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.931 116.2 46.2 -59.5 -46.4 -31.2 0.8 6.5 116 112 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.947 115.0 44.3 -65.0 -50.3 -32.6 0.2 10.0 117 113 A F H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.910 114.0 50.4 -60.0 -44.8 -35.2 2.9 10.0 118 114 A H H X S+ 0 0 20 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.887 113.0 46.8 -63.0 -37.9 -36.3 2.0 6.4 119 115 A W H X S+ 0 0 6 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.911 111.7 50.4 -70.3 -41.3 -36.7 -1.6 7.4 120 116 A A H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 7,-0.2 0.913 106.5 55.2 -62.0 -43.6 -38.5 -0.8 10.6 121 117 A K H 3< S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.897 113.5 41.2 -55.4 -41.2 -41.0 1.5 8.7 122 118 A R H 3< S+ 0 0 91 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.591 122.2 41.8 -87.1 -11.6 -41.9 -1.4 6.4 123 119 A N XX + 0 0 33 -4,-1.0 3,-1.6 -3,-0.6 4,-0.9 -0.441 65.2 155.5-131.0 60.5 -41.9 -4.0 9.2 124 120 A P T 34 S+ 0 0 63 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.744 72.9 54.2 -63.4 -25.1 -43.7 -2.2 12.1 125 121 A E T 34 S+ 0 0 158 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.546 107.8 49.9 -87.1 -8.5 -44.9 -5.4 13.8 126 122 A R T <4 S+ 0 0 56 -3,-1.6 -22,-2.7 -6,-0.2 2,-0.5 0.598 86.7 92.4-105.7 -15.1 -41.4 -6.9 13.9 127 123 A V E < +e 104 0A 9 -4,-0.9 -22,-0.2 -7,-0.2 3,-0.1 -0.703 41.0 173.2 -89.1 124.4 -39.4 -4.0 15.5 128 124 A K E - 0 0 98 -24,-2.9 2,-0.3 -2,-0.5 -23,-0.2 0.540 66.4 -16.9-107.3 -9.5 -39.2 -4.2 19.3 129 125 A G E -e 105 0A 0 -25,-0.6 -23,-2.6 109,-0.1 -1,-0.4 -0.871 53.9-142.6 175.1 153.4 -36.8 -1.3 19.9 130 126 A I E -ef 106 240A 0 109,-2.4 111,-2.4 -2,-0.3 2,-0.4 -0.968 7.2-171.7-136.1 121.5 -34.3 0.9 18.2 131 127 A A E +ef 107 241A 0 -25,-3.2 -23,-2.7 -2,-0.4 2,-0.3 -0.924 25.7 166.9-102.8 134.1 -31.0 2.3 19.5 132 128 A F E +ef 108 242A 0 109,-2.8 111,-2.3 -2,-0.4 2,-0.3 -0.966 18.6 177.0-149.8 160.6 -29.5 4.8 17.2 133 129 A X E +ef 109 243A 0 -25,-1.0 -23,-1.0 -2,-0.3 -20,-0.1 -0.961 66.9 7.8-163.7 146.3 -26.8 7.5 16.9 134 130 A E E S+ 0 0 1 109,-0.6 -24,-1.6 -2,-0.3 -21,-0.2 0.916 88.4 177.2 44.8 63.1 -25.3 9.9 14.3 135 131 A F E -e 110 0A 1 -26,-0.2 2,-0.5 -22,-0.1 -1,-0.1 -0.494 34.0 -93.1-107.3 166.7 -28.0 8.9 11.9 136 132 A I + 0 0 3 -26,-0.7 -1,-0.1 -2,-0.2 115,-0.0 -0.655 50.0 155.8 -82.6 123.4 -29.2 9.9 8.4 137 133 A R - 0 0 57 -2,-0.5 2,-0.2 77,-0.1 90,-0.1 -0.880 51.2 -75.4-134.8 168.0 -31.8 12.6 8.1 138 134 A P - 0 0 30 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.479 35.2-155.3 -68.1 137.2 -32.7 15.1 5.4 139 135 A I B -h 215 0B 12 75,-3.0 77,-2.9 -2,-0.2 78,-0.3 -0.877 5.4-164.7-112.2 94.5 -30.3 18.0 5.0 140 136 A P + 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.822 68.8 1.4 -54.5 -44.0 -32.5 20.8 3.4 141 137 A T S > S- 0 0 56 75,-0.1 3,-1.7 -3,-0.1 75,-0.1 -0.913 76.5-103.8-137.4 169.1 -29.5 22.9 2.4 142 138 A W G > S+ 0 0 55 -2,-0.3 3,-1.9 1,-0.3 12,-0.0 0.761 116.1 69.8 -63.0 -24.6 -25.7 22.8 2.5 143 139 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -4,-0.0 4,-0.1 0.747 94.5 57.2 -63.2 -21.6 -25.9 25.4 5.4 144 140 A E G < S+ 0 0 92 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.271 91.3 87.0 -93.2 8.5 -27.3 22.5 7.4 145 141 A W S < S- 0 0 11 -3,-1.9 5,-0.1 -6,-0.1 105,-0.1 -0.823 101.5 -84.0-103.1 147.4 -24.2 20.3 6.7 146 142 A P > - 0 0 26 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.309 36.6-133.9 -57.6 129.6 -21.3 20.7 9.1 147 143 A E G > S+ 0 0 140 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.854 101.3 59.1 -54.4 -41.6 -19.2 23.7 8.0 148 144 A F G 3 S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.702 114.1 38.0 -63.6 -19.2 -15.8 21.9 8.3 149 145 A A G <> S+ 0 0 7 -3,-1.9 4,-2.3 2,-0.1 -1,-0.3 0.259 86.6 96.8-118.3 9.9 -17.0 19.3 5.8 150 146 A R H <> S+ 0 0 68 -3,-1.4 4,-2.2 -4,-0.4 5,-0.2 0.972 89.9 39.7 -66.2 -55.5 -19.0 21.3 3.3 151 147 A E H > S+ 0 0 160 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.885 117.2 52.2 -61.7 -38.4 -16.3 21.8 0.7 152 148 A T H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.939 112.7 42.0 -64.6 -48.7 -15.0 18.2 1.2 153 149 A F H X S+ 0 0 20 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.798 110.5 56.8 -73.9 -26.9 -18.4 16.6 0.7 154 150 A Q H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.919 110.6 45.5 -64.2 -41.2 -19.3 18.8 -2.2 155 151 A A H >< S+ 0 0 26 -4,-2.0 3,-0.8 1,-0.2 7,-0.4 0.907 109.0 55.7 -65.2 -42.9 -16.1 17.5 -3.8 156 152 A F H 3< S+ 0 0 1 -4,-2.4 2,-0.8 1,-0.3 -1,-0.2 0.839 98.7 65.5 -55.1 -35.7 -17.0 13.9 -2.9 157 153 A R T 3< S+ 0 0 42 -4,-1.6 2,-0.3 -5,-0.1 -1,-0.3 -0.230 87.1 85.7 -91.6 45.0 -20.3 14.4 -4.7 158 154 A T S < S- 0 0 57 -2,-0.8 5,-0.3 -3,-0.8 53,-0.0 -0.946 74.5-131.0-131.6 158.0 -18.7 14.8 -8.1 159 155 A T S > S+ 0 0 90 -2,-0.3 4,-1.9 3,-0.2 5,-0.3 0.992 99.0 28.4 -72.6 -62.8 -17.7 12.0 -10.6 160 156 A D H > S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.984 131.3 33.0 -70.6 -57.4 -14.2 12.9 -11.6 161 157 A V H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.952 120.2 51.3 -60.8 -49.0 -12.9 14.8 -8.5 162 158 A G H > S+ 0 0 0 -7,-0.4 4,-2.7 1,-0.2 5,-0.3 0.867 112.1 44.9 -60.4 -41.2 -14.9 12.7 -6.0 163 159 A R H X>S+ 0 0 77 -4,-1.9 4,-1.9 -5,-0.3 5,-1.9 0.874 110.2 55.3 -71.1 -37.7 -13.8 9.3 -7.3 164 160 A K H <>S+ 0 0 77 -4,-1.9 5,-1.9 -5,-0.3 -2,-0.2 0.948 114.9 40.8 -57.4 -46.6 -10.2 10.5 -7.5 165 161 A L H <5S+ 0 0 36 -4,-2.5 6,-2.6 3,-0.2 -2,-0.2 0.964 126.8 29.3 -66.5 -53.6 -10.4 11.4 -3.8 166 162 A I H <5S+ 0 0 0 -4,-2.7 7,-0.2 4,-0.2 4,-0.2 0.905 132.7 27.3 -80.8 -43.5 -12.3 8.5 -2.4 167 163 A I T <5S+ 0 0 14 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.934 128.9 34.7 -87.4 -49.9 -11.4 5.6 -4.8 168 164 A D T + 0 0 11 -6,-0.2 4,-2.8 -4,-0.2 3,-0.5 0.838 45.9 160.5 57.6 38.8 -8.7 6.4 -0.3 171 167 A V H >> + 0 0 36 -6,-2.6 4,-2.8 1,-0.2 5,-2.0 0.837 64.8 58.3 -63.1 -36.7 -9.6 9.8 1.3 172 168 A F H 4>S+ 0 0 14 3,-0.2 5,-2.4 2,-0.2 -1,-0.2 0.880 116.3 35.9 -63.2 -36.1 -12.7 8.5 3.2 173 169 A I H 45S+ 0 0 0 -3,-0.5 -2,-0.2 -7,-0.2 -1,-0.2 0.937 127.8 33.9 -78.3 -50.8 -10.6 5.9 5.0 174 170 A E H <5S+ 0 0 82 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.708 136.4 16.7 -81.5 -21.2 -7.4 7.8 5.5 175 171 A G T X5S+ 0 0 22 -4,-2.8 4,-1.2 -5,-0.3 -3,-0.2 0.794 125.7 38.8-115.8 -60.8 -8.9 11.3 6.0 176 172 A T T 444 S+ 0 0 45 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.843 107.2 60.2 -59.0 -31.2 -10.1 9.6 11.6 179 175 A X G 3< S+ 0 0 104 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.555 95.1 63.7 -70.1 -9.6 -11.9 13.0 11.6 180 176 A G G < S+ 0 0 7 -3,-2.2 97,-2.6 -4,-0.4 96,-1.3 0.340 97.4 65.4 -95.4 5.8 -15.1 11.2 12.8 181 177 A V < - 0 0 7 -3,-1.4 4,-0.1 94,-0.2 93,-0.1 -0.994 66.0-153.2-128.1 135.2 -13.4 10.2 16.1 182 178 A V S S+ 0 0 73 -2,-0.4 -1,-0.1 95,-0.2 92,-0.1 0.963 84.0 58.1 -70.9 -53.3 -12.2 12.5 18.9 183 179 A R S S- 0 0 48 1,-0.1 2,-0.3 97,-0.0 -2,-0.1 -0.354 103.8 -96.3 -69.3 157.4 -9.4 10.2 20.2 184 180 A P - 0 0 112 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.614 35.3-126.0 -76.3 134.9 -6.7 9.1 17.8 185 181 A L - 0 0 25 -2,-0.3 2,-0.1 -4,-0.1 -4,-0.0 -0.556 28.4-121.1 -72.8 142.5 -7.3 5.8 16.2 186 182 A T > - 0 0 59 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.345 21.5-108.1 -79.0 168.4 -4.4 3.4 16.6 187 183 A E H > S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.871 121.6 53.9 -63.5 -35.3 -2.5 1.9 13.7 188 184 A V H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 111.1 44.7 -64.4 -44.5 -4.1 -1.5 14.6 189 185 A E H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.929 112.0 52.0 -65.4 -44.1 -7.5 0.0 14.4 190 186 A X H X S+ 0 0 12 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.900 107.8 53.7 -58.5 -39.1 -6.8 1.9 11.2 191 187 A D H X S+ 0 0 81 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.850 105.7 51.5 -67.4 -35.1 -5.6 -1.4 9.7 192 188 A H H < S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.2 45.9 -67.0 -37.0 -8.8 -3.2 10.5 193 189 A Y H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 4,-0.2 0.823 114.9 47.5 -70.3 -32.1 -10.7 -0.3 8.8 194 190 A R H >< S+ 0 0 40 -4,-2.1 3,-2.1 -5,-0.2 -2,-0.2 0.793 90.9 86.5 -76.5 -30.8 -8.4 -0.3 5.8 195 191 A E G >< S+ 0 0 110 -4,-1.8 3,-1.0 1,-0.3 4,-0.2 0.792 86.2 46.5 -46.0 -47.8 -8.5 -4.1 5.4 196 192 A P G 3 S+ 0 0 17 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.696 117.6 45.1 -71.4 -13.8 -11.6 -4.4 3.2 197 193 A F G < + 0 0 0 -3,-2.1 -2,-0.2 -4,-0.2 6,-0.1 0.064 68.1 114.8-122.1 23.6 -10.5 -1.6 0.8 198 194 A L S < S+ 0 0 120 -3,-1.0 -1,-0.1 -4,-0.2 -3,-0.1 0.826 71.9 68.4 -62.7 -32.6 -6.8 -2.3 0.2 199 195 A N S > S- 0 0 90 -3,-0.2 3,-2.5 -4,-0.2 4,-0.2 -0.833 84.0-143.6 -91.2 116.1 -7.7 -2.9 -3.5 200 196 A P G > S+ 0 0 54 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.811 96.4 60.7 -49.9 -40.8 -8.7 0.5 -5.0 201 197 A V G > S+ 0 0 106 1,-0.3 3,-0.7 2,-0.1 -33,-0.1 0.707 95.5 64.6 -63.4 -17.5 -11.4 -1.0 -7.2 202 198 A D G < S+ 0 0 46 -3,-2.5 -1,-0.3 1,-0.2 4,-0.2 0.473 80.2 84.7 -82.0 1.2 -13.2 -2.3 -4.0 203 199 A R G X> + 0 0 22 -3,-2.1 4,-1.0 1,-0.2 3,-0.8 0.396 52.7 109.7 -89.2 5.4 -13.8 1.3 -2.9 204 200 A E H X> S+ 0 0 37 -3,-0.7 4,-2.5 1,-0.2 3,-0.9 0.867 76.5 50.1 -45.7 -51.0 -17.0 1.8 -4.9 205 201 A P H 3> S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.839 103.3 61.5 -64.2 -28.2 -19.4 1.8 -1.8 206 202 A L H <4 S+ 0 0 0 -3,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.800 112.8 37.0 -64.9 -30.4 -17.2 4.4 -0.1 207 203 A W H X S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 4,-0.7 0.935 104.5 41.9 -54.7 -55.5 -22.5 6.4 0.0 210 206 A P H >4 S+ 0 0 1 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.822 111.9 57.8 -64.4 -24.4 -21.7 10.2 0.3 211 207 A N H 3< S+ 0 0 26 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.626 104.1 53.3 -75.6 -12.3 -23.3 10.6 -3.2 212 208 A E H << S+ 0 0 7 -3,-1.5 -1,-0.2 -4,-0.8 -3,-0.1 0.538 79.5 122.3 -93.5 -11.6 -26.5 9.1 -1.7 213 209 A L S << S- 0 0 11 -4,-0.7 2,-1.8 -3,-0.5 10,-0.1 -0.270 73.0-117.7 -56.1 133.6 -26.7 11.5 1.2 214 210 A P + 0 0 1 0, 0.0 -75,-3.0 0, 0.0 2,-0.5 -0.534 57.5 152.4 -76.2 82.1 -30.1 13.5 1.2 215 211 A I B > -hI 139 218B 1 3,-2.1 3,-1.7 -2,-1.8 -73,-0.1 -0.962 64.2 -14.3-124.2 125.9 -28.6 17.0 0.7 216 212 A A T 3 S- 0 0 49 -77,-2.9 -1,-0.2 -2,-0.5 -75,-0.1 0.803 127.2 -54.1 55.3 32.9 -30.3 19.9 -0.9 217 213 A G T 3 S+ 0 0 41 -78,-0.3 -1,-0.3 1,-0.2 6,-0.1 0.409 100.5 148.0 89.3 -1.4 -33.0 17.7 -2.4 218 214 A E B < +I 215 0B 133 -3,-1.7 -3,-2.1 1,-0.3 -1,-0.2 -0.973 58.4 28.1-128.9 137.7 -30.6 15.3 -4.1 219 215 A P S > S- 0 0 25 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.460 80.2-162.0 -75.1 136.2 -30.8 12.4 -4.7 220 216 A A H > S+ 0 0 71 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.831 87.1 53.9 -56.7 -40.4 -34.6 13.0 -4.7 221 217 A N H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.899 111.1 45.4 -61.4 -42.1 -35.4 9.3 -4.3 222 218 A I H > S+ 0 0 1 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.931 110.9 53.8 -67.6 -43.4 -33.2 9.1 -1.2 223 219 A V H X S+ 0 0 18 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.929 110.1 47.1 -55.4 -47.6 -34.7 12.3 0.2 224 220 A A H X S+ 0 0 37 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.932 112.8 49.2 -58.8 -47.5 -38.2 11.0 -0.2 225 221 A L H X S+ 0 0 19 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.893 113.2 46.4 -61.5 -41.7 -37.3 7.6 1.5 226 222 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.912 110.4 51.8 -71.1 -42.1 -35.6 9.3 4.4 227 223 A E H X S+ 0 0 95 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.901 108.5 54.9 -56.8 -39.6 -38.5 11.8 4.9 228 224 A E H X S+ 0 0 95 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.916 110.2 42.1 -66.1 -43.1 -40.8 8.8 5.0 229 225 A Y H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.860 112.7 53.8 -75.7 -29.6 -39.0 6.9 7.7 230 226 A X H X S+ 0 0 16 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.886 110.3 48.3 -65.1 -39.1 -38.5 10.1 9.8 231 227 A D H X S+ 0 0 95 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.911 112.7 48.0 -64.9 -43.3 -42.2 10.7 9.6 232 228 A W H >X S+ 0 0 39 -4,-2.2 3,-1.0 1,-0.2 4,-0.9 0.893 108.2 55.8 -61.5 -40.6 -42.9 7.1 10.6 233 229 A L H >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.875 104.0 52.8 -62.4 -39.7 -40.4 7.4 13.5 234 230 A H H 3< S+ 0 0 58 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.625 115.8 41.5 -70.7 -13.6 -42.3 10.5 14.9 235 231 A Q H << S+ 0 0 153 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.467 94.0 97.5-113.0 -5.5 -45.5 8.5 14.9 236 232 A S << - 0 0 13 -4,-0.9 -115,-0.0 -3,-0.5 -4,-0.0 -0.684 59.4-152.2 -91.0 137.6 -44.3 5.1 16.1 237 233 A P + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.294 53.2 134.2 -85.5 9.3 -44.5 4.0 19.8 238 234 A V - 0 0 8 1,-0.1 -109,-0.1 -5,-0.1 -110,-0.1 -0.347 68.7-102.2 -58.1 134.3 -41.5 1.8 19.3 239 235 A P - 0 0 33 0, 0.0 -109,-2.4 0, 0.0 2,-0.4 -0.394 45.0-161.1 -60.7 137.2 -39.0 2.2 22.2 240 236 A K E -fg 130 266A 1 25,-2.6 27,-2.4 -111,-0.2 2,-0.4 -0.951 18.7-170.6-129.6 140.9 -36.1 4.5 21.2 241 237 A L E -fg 131 267A 0 -111,-2.4 -109,-2.8 -2,-0.4 2,-0.6 -0.967 10.8-167.5-132.4 117.3 -32.6 5.1 22.6 242 238 A L E -fg 132 268A 0 25,-3.4 27,-3.1 -2,-0.4 2,-0.4 -0.909 3.1-164.6-112.9 118.2 -30.6 7.9 21.2 243 239 A F E +fg 133 269A 1 -111,-2.3 -109,-0.6 -2,-0.6 2,-0.3 -0.800 15.9 172.5 -95.7 141.7 -26.8 8.4 21.8 244 240 A W E - g 0 270A 46 25,-2.1 27,-2.8 -2,-0.4 28,-0.4 -0.976 12.7-159.6-144.5 156.5 -25.2 11.7 21.1 245 241 A G E - 0 0 0 6,-0.5 -111,-0.0 -2,-0.3 6,-0.0 -0.817 32.9 -70.1-131.3 172.5 -21.8 13.4 21.6 246 242 A T E S- g 0 273A 73 26,-2.0 28,-1.7 1,-0.3 3,-0.0 -0.953 115.3 -8.1-115.1 124.9 -20.3 16.9 21.8 247 243 A P E S- g 0 274A 78 0, 0.0 -1,-0.3 0, 0.0 28,-0.2 -0.997 94.1-177.6 -83.7 -6.9 -20.1 18.4 19.3 248 244 A G - 0 0 8 26,-2.8 28,-0.2 4,-0.2 27,-0.1 -0.209 23.4-128.5 72.5-175.6 -21.2 15.4 17.3 249 245 A V S S+ 0 0 23 26,-0.8 27,-0.1 2,-0.2 26,-0.0 0.445 92.8 20.4-133.4 -70.3 -21.3 15.7 13.5 250 246 A L S S+ 0 0 19 1,-0.3 26,-0.1 25,-0.2 -113,-0.1 0.804 134.2 37.9 -76.5 -30.2 -24.6 14.6 12.0 251 247 A I S S- 0 0 0 24,-0.3 -6,-0.5 -6,-0.0 -1,-0.3 -0.829 78.2-163.7-126.4 92.7 -26.5 15.0 15.2 252 248 A P >> - 0 0 49 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.306 37.5-102.6 -65.4 156.9 -25.4 18.1 17.3 253 249 A P H 3> S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.853 121.8 56.2 -50.6 -43.6 -26.4 18.2 21.0 254 250 A A H 3> S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -3,-0.0 0.881 108.4 48.1 -57.8 -39.8 -29.2 20.8 20.2 255 251 A E H <> S+ 0 0 56 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.844 107.4 54.9 -71.0 -35.3 -30.7 18.4 17.7 256 252 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.882 106.2 52.2 -64.9 -39.0 -30.6 15.4 20.1 257 253 A A H X S+ 0 0 61 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.917 109.8 49.5 -62.0 -43.5 -32.5 17.4 22.7 258 254 A R H >X S+ 0 0 154 -4,-1.6 4,-2.3 1,-0.2 3,-0.9 0.937 112.2 46.4 -60.7 -49.3 -35.2 18.2 20.1 259 255 A L H 3X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.3 -1,-0.2 0.856 102.4 64.3 -64.3 -37.1 -35.6 14.5 19.0 260 256 A A H 3< S+ 0 0 32 -4,-2.1 6,-0.4 1,-0.2 -1,-0.3 0.775 114.6 33.6 -56.7 -27.7 -35.7 13.3 22.6 261 257 A K H << S+ 0 0 184 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.798 119.8 46.6 -95.6 -37.6 -38.9 15.2 22.9 262 258 A S H < S+ 0 0 28 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.861 98.5 74.6 -79.7 -34.7 -40.5 14.9 19.5 263 259 A L S >< S- 0 0 2 -4,-2.6 3,-0.7 -5,-0.2 -29,-0.2 -0.685 91.0-117.6 -80.9 124.4 -39.9 11.2 19.0 264 260 A P T 3 S+ 0 0 46 0, 0.0 -28,-0.1 0, 0.0 -2,-0.1 -0.234 89.6 6.2 -57.8 145.4 -42.4 9.2 21.1 265 261 A N T 3 S+ 0 0 104 1,-0.2 -25,-2.6 -26,-0.1 2,-0.4 0.834 93.3 153.9 53.4 45.4 -41.0 6.9 23.8 266 262 A C E < -g 240 0A 27 -3,-0.7 2,-0.4 -6,-0.4 -25,-0.2 -0.898 30.7-166.9-116.4 133.8 -37.4 8.1 23.4 267 263 A K E -g 241 0A 100 -27,-2.4 -25,-3.4 -2,-0.4 2,-0.4 -0.948 11.8-154.9-113.1 136.7 -34.5 8.2 25.8 268 264 A A E -g 242 0A 35 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.929 6.1-165.2-116.0 138.1 -31.4 10.2 25.0 269 265 A V E -g 243 0A 10 -27,-3.1 -25,-2.1 -2,-0.4 2,-0.5 -0.985 14.2-140.2-127.8 128.3 -27.9 9.5 26.4 270 266 A D E -g 244 0A 76 -2,-0.4 -25,-0.2 -27,-0.2 -27,-0.1 -0.722 12.0-172.0 -83.7 125.3 -24.9 11.8 26.4 271 267 A I E - 0 0 4 -27,-2.8 -26,-0.2 -2,-0.5 -1,-0.1 0.435 37.7-124.7 -96.0 0.7 -21.6 9.9 25.7 272 268 A G E S+ 0 0 22 -28,-0.4 -26,-2.0 2,-0.1 -1,-0.4 -0.683 75.9 16.3 89.2-148.3 -19.4 12.9 26.3 273 269 A P E S+g 246 0A 90 0, 0.0 2,-0.3 0, 0.0 -91,-0.1 -0.336 83.0 137.2 -59.7 135.1 -16.9 14.0 23.6 274 270 A G E -g 247 0A 0 -28,-1.7 -26,-2.8 -93,-0.1 -93,-0.1 -0.948 32.6-174.0-175.4 155.3 -17.8 12.5 20.2 275 271 A L S S- 0 0 33 -95,-0.5 -26,-0.8 -2,-0.3 -24,-0.3 0.423 72.7 -38.6-121.1-100.0 -18.1 13.2 16.5 276 272 A N S S+ 0 0 17 -96,-1.3 2,-1.8 -28,-0.2 3,-0.2 0.853 128.8 54.8-100.2 -50.9 -19.4 10.6 14.1 277 273 A L >> + 0 0 3 -97,-2.6 3,-1.9 1,-0.2 4,-0.8 -0.533 60.4 166.2 -83.9 73.3 -18.1 7.2 15.4 278 274 A L H >> S+ 0 0 0 -2,-1.8 4,-2.4 1,-0.3 3,-0.7 0.822 70.5 68.9 -57.4 -31.1 -19.4 7.6 18.9 279 275 A Q H 34 S+ 0 0 2 1,-0.2 -1,-0.3 -3,-0.2 -225,-0.1 0.752 98.3 50.2 -56.6 -29.0 -18.6 3.8 19.3 280 276 A E H <4 S+ 0 0 0 -3,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.713 112.7 44.4 -87.4 -21.6 -14.9 4.6 19.1 281 277 A D H << S+ 0 0 29 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.1 0.841 133.8 6.7 -90.7 -38.0 -15.0 7.4 21.8 282 278 A N X + 0 0 50 -4,-2.4 4,-2.0 1,-0.1 5,-0.2 -0.383 67.3 151.9-143.9 66.9 -17.1 5.8 24.5 283 279 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.834 74.1 58.0 -66.4 -32.2 -18.0 2.1 23.7 284 280 A D H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.933 109.0 44.0 -66.8 -43.2 -18.4 1.1 27.4 285 281 A L H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.956 116.2 47.7 -62.1 -50.7 -21.1 3.7 28.1 286 282 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.932 116.1 43.6 -56.2 -48.6 -22.9 2.9 24.8 287 283 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.933 115.1 48.4 -64.9 -46.9 -22.7 -0.9 25.4 288 284 A S H X S+ 0 0 37 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.911 113.1 47.7 -57.9 -46.1 -23.7 -0.6 29.1 289 285 A E H X S+ 0 0 32 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.875 111.4 50.1 -68.1 -37.5 -26.6 1.7 28.4 290 286 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.943 110.9 49.9 -62.7 -46.1 -27.9 -0.5 25.6 291 287 A A H X S+ 0 0 22 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.912 115.1 43.2 -59.6 -42.2 -27.8 -3.6 27.8 292 288 A R H X S+ 0 0 128 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.895 112.9 51.3 -73.0 -39.2 -29.6 -1.9 30.6 293 289 A W H X S+ 0 0 17 -4,-2.6 4,-1.0 1,-0.2 3,-0.3 0.921 105.7 56.9 -62.3 -43.4 -32.2 -0.3 28.2 294 290 A L H >< S+ 0 0 2 -4,-3.0 3,-0.6 1,-0.2 4,-0.4 0.884 104.0 54.0 -52.8 -41.7 -32.8 -3.8 26.7 295 291 A S H >< S+ 0 0 77 -4,-1.3 3,-1.4 1,-0.2 -1,-0.2 0.896 104.4 54.0 -61.4 -39.6 -33.7 -5.0 30.2 296 292 A T H >< S+ 0 0 70 -4,-1.4 3,-1.3 -3,-0.3 -1,-0.2 0.692 90.9 74.1 -71.7 -17.9 -36.3 -2.2 30.7 297 293 A L T << S+ 0 0 48 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.737 97.2 50.8 -65.1 -21.4 -38.0 -3.3 27.5 298 294 A E T < S+ 0 0 158 -3,-1.4 2,-0.6 -4,-0.4 -1,-0.3 0.458 89.0 97.2 -94.3 -3.9 -39.3 -6.2 29.5 299 295 A I < - 0 0 116 -3,-1.3 -3,-0.0 -4,-0.2 -4,-0.0 -0.792 57.6-164.0 -90.1 122.9 -40.6 -4.0 32.3 300 296 A S 0 0 131 -2,-0.6 -1,-0.2 1,-0.1 -4,-0.0 0.996 360.0 360.0 -68.5 -68.8 -44.3 -3.3 32.0 301 297 A G 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.054 360.0 360.0 117.3 360.0 -44.9 -0.4 34.3