==== 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 4KAF . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR A.P.KUZIN,S.LEW,T.K.NEKLESA,D.NOBLIN,J.SEETHARAMAN,M.MAGLAQU . 595 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 4 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 . 2 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 . 33 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 7 0 2 0 2 2 4 0 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 4 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 12 A A 0 0 120 0, 0.0 278,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.1 11.6 -26.6 -15.8 2 13 A E - 0 0 195 1,-0.1 2,-0.5 0, 0.0 0, 0.0 -0.246 360.0-124.0 -60.1 142.9 11.4 -23.2 -14.0 3 14 A I - 0 0 36 272,-0.1 -1,-0.1 1,-0.0 2,-0.1 -0.791 25.9-119.6 -98.4 123.6 10.1 -23.5 -10.5 4 15 A G - 0 0 30 -2,-0.5 45,-0.1 1,-0.1 -1,-0.0 -0.333 22.2-171.2 -67.1 140.1 7.0 -21.4 -9.7 5 16 A T + 0 0 51 -2,-0.1 -1,-0.1 43,-0.1 182,-0.1 0.545 55.9 96.5-102.6 -12.5 7.1 -18.8 -7.0 6 17 A G - 0 0 39 1,-0.1 -2,-0.0 2,-0.0 178,-0.0 -0.303 59.9-149.0 -79.3 166.0 3.4 -17.9 -6.9 7 18 A F + 0 0 41 -2,-0.1 2,-1.9 2,-0.0 -1,-0.1 -0.688 19.9 176.3-131.2 74.5 0.7 -19.2 -4.5 8 19 A P + 0 0 113 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.305 36.1 121.3 -86.1 55.2 -2.4 -19.2 -6.7 9 20 A F - 0 0 33 -2,-1.9 3,-0.1 17,-0.0 17,-0.1 -0.970 61.5-122.1-123.6 133.2 -4.7 -20.8 -4.1 10 21 A D - 0 0 119 -2,-0.4 2,-0.4 15,-0.1 15,-0.3 -0.248 36.9-107.6 -57.8 149.0 -7.9 -19.5 -2.5 11 22 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 13,-0.1 -0.682 34.6-173.7 -81.1 136.4 -7.9 -19.2 1.3 12 23 A H E -A 23 0A 64 11,-1.1 11,-2.2 -2,-0.4 2,-0.4 -0.958 4.3-170.9-118.5 147.2 -9.9 -21.7 3.2 13 24 A Y E -A 22 0A 90 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.996 6.6-173.7-138.4 142.3 -10.3 -21.4 6.9 14 25 A V E -A 21 0A 25 7,-2.0 7,-2.5 -2,-0.4 2,-0.5 -0.997 28.4-119.2-136.5 139.9 -11.8 -23.6 9.6 15 26 A E E +A 20 0A 122 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.687 34.9 179.6 -78.8 125.4 -12.4 -23.1 13.2 16 27 A V E > -A 19 0A 2 3,-3.8 3,-2.4 -2,-0.5 74,-0.1 -0.980 67.5 -23.6-133.7 114.6 -10.4 -25.6 15.3 17 28 A L T 3 S- 0 0 79 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.860 127.7 -50.0 50.6 36.9 -10.6 -25.6 19.1 18 29 A G T 3 S+ 0 0 62 1,-0.3 2,-0.3 436,-0.0 -1,-0.3 0.448 123.9 96.4 85.3 0.3 -11.6 -22.0 19.0 19 30 A E E < S-A 16 0A 51 -3,-2.4 -3,-3.8 53,-0.1 2,-0.4 -0.839 73.4-117.3-118.6 158.3 -8.8 -20.9 16.7 20 31 A R E -A 15 0A 95 -2,-0.3 52,-3.0 -5,-0.2 2,-0.4 -0.799 25.0-166.1 -99.5 133.8 -8.8 -20.4 12.9 21 32 A X E -A 14 0A 0 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.3 -0.958 11.4-140.4-117.6 137.7 -6.5 -22.5 10.7 22 33 A H E +A 13 0A 2 -2,-0.4 42,-2.9 42,-0.3 2,-0.3 -0.717 26.2 168.8 -91.1 146.8 -5.8 -21.8 7.1 23 34 A Y E -AB 12 63A 25 -11,-2.2 -11,-1.1 -2,-0.3 2,-0.3 -0.992 35.6-120.7-154.2 151.0 -5.6 -24.4 4.4 24 35 A V E - B 0 62A 0 38,-2.1 38,-2.2 -2,-0.3 2,-0.3 -0.719 31.6-179.5 -80.1 138.8 -5.3 -25.0 0.7 25 36 A D E + B 0 61A 20 -2,-0.3 2,-0.3 -15,-0.3 36,-0.2 -0.834 15.1 146.6-147.6 103.1 -8.3 -27.0 -0.6 26 37 A V E + B 0 60A 41 34,-2.0 34,-2.9 -2,-0.3 -2,-0.0 -0.909 30.9 45.2-133.9 162.5 -8.4 -27.8 -4.4 27 38 A G S S- 0 0 40 -2,-0.3 32,-0.2 32,-0.2 2,-0.1 -0.240 90.0 -29.8 94.0 177.1 -9.6 -30.6 -6.6 28 39 A P - 0 0 50 0, 0.0 31,-0.6 0, 0.0 3,-0.4 -0.397 39.9-146.4 -77.9 143.1 -12.7 -32.8 -6.7 29 40 A R S S+ 0 0 184 1,-0.2 29,-0.0 -2,-0.1 -2,-0.0 0.248 81.2 81.9 -86.1 8.5 -14.8 -33.7 -3.6 30 41 A D S S+ 0 0 136 2,-0.1 -1,-0.2 266,-0.1 2,-0.2 0.132 88.6 40.3-109.6 26.9 -15.8 -37.1 -4.7 31 42 A G S S- 0 0 27 -3,-0.4 265,-0.3 0, 0.0 27,-0.1 -0.514 100.0 -49.0-142.2-156.1 -12.8 -39.3 -3.9 32 43 A T - 0 0 1 -2,-0.2 27,-0.2 64,-0.0 67,-0.1 -0.833 58.8-129.2 -92.3 125.0 -10.1 -39.9 -1.3 33 44 A P - 0 0 10 0, 0.0 67,-2.2 0, 0.0 2,-0.5 -0.420 5.9-138.0 -76.1 154.5 -8.3 -36.7 -0.2 34 45 A V E -cd 60 100A 0 25,-2.7 27,-2.8 65,-0.2 2,-0.6 -0.964 17.3-156.0-113.2 118.2 -4.6 -36.2 -0.1 35 46 A L E -cd 61 101A 0 65,-3.0 67,-2.6 -2,-0.5 2,-0.5 -0.896 3.8-159.9-104.7 118.3 -3.4 -34.4 3.0 36 47 A F E - d 0 102A 0 25,-2.9 2,-0.5 -2,-0.6 67,-0.2 -0.875 5.8-167.3-103.8 122.1 -0.1 -32.5 2.7 37 48 A L E - d 0 103A 2 65,-2.4 67,-1.6 -2,-0.5 70,-0.2 -0.944 3.3-161.7-119.3 114.4 1.7 -31.6 6.0 38 49 A H - 0 0 0 -2,-0.5 2,-0.1 25,-0.5 6,-0.1 -0.292 5.8-155.6 -79.8 172.5 4.6 -29.2 6.1 39 50 A G > + 0 0 0 67,-0.2 3,-1.3 4,-0.2 66,-0.1 -0.224 41.1 2.2-126.3-146.8 7.2 -28.8 8.8 40 51 A N T 3 S- 0 0 6 1,-0.3 66,-0.1 -2,-0.1 3,-0.1 -0.780 121.0 -7.8 -97.5 133.7 9.6 -26.2 10.2 41 52 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 160,-0.1 -0.571 116.0 82.7-105.7 45.2 9.8 -23.2 9.2 42 53 A T < - 0 0 3 -3,-1.3 27,-0.3 26,-0.1 2,-0.3 0.004 50.9-157.9-100.0-162.3 7.6 -23.6 6.2 43 54 A S > - 0 0 14 25,-0.1 3,-2.2 -3,-0.1 4,-0.2 -0.861 56.8 -59.9-156.5-170.9 3.8 -23.6 5.4 44 55 A S G > S+ 0 0 1 1,-0.3 3,-1.9 -2,-0.3 4,-0.3 0.712 120.4 82.4 -56.1 -19.4 1.5 -24.9 2.7 45 56 A Y G > S+ 0 0 5 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.835 78.7 66.3 -52.1 -33.4 3.6 -22.7 0.4 46 57 A V G < S+ 0 0 2 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.725 101.6 47.6 -65.3 -20.0 6.2 -25.6 0.3 47 58 A W G X> S+ 0 0 0 -3,-1.9 4,-2.6 -4,-0.2 3,-1.5 0.372 78.6 107.5 -97.3 1.9 3.6 -27.7 -1.5 48 59 A R T <4 S+ 0 0 3 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.753 85.6 38.0 -57.3 -32.5 2.6 -25.1 -4.1 49 60 A N T 34 S+ 0 0 30 -3,-0.3 -1,-0.3 -4,-0.2 233,-0.1 0.449 116.7 51.9 -99.4 -2.3 4.4 -26.8 -7.0 50 61 A I T X> S+ 0 0 1 -3,-1.5 3,-1.9 2,-0.1 4,-0.6 0.844 98.2 63.1 -93.9 -47.1 3.5 -30.3 -6.0 51 62 A I H >X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.3 3,-1.7 0.831 92.1 63.6 -48.1 -43.8 -0.2 -29.9 -5.6 52 63 A P H 34 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.737 99.1 55.8 -63.3 -19.1 -0.9 -29.1 -9.3 53 64 A H H <4 S+ 0 0 61 -3,-1.9 -2,-0.2 2,-0.1 4,-0.1 0.718 119.1 32.2 -74.8 -22.7 0.3 -32.6 -10.3 54 65 A V H XX S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.6 3,-1.7 0.790 100.4 75.3-105.5 -39.4 -2.2 -34.2 -8.0 55 66 A A T 3< S+ 0 0 18 -4,-2.9 -2,-0.1 1,-0.3 -1,-0.1 0.701 82.6 68.7 -53.2 -30.8 -5.2 -31.9 -8.0 56 67 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.864 121.2 16.5 -59.2 -30.3 -6.6 -32.9 -11.4 57 68 A T T <4 S+ 0 0 82 -3,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.599 129.1 38.4-116.4 -20.3 -7.5 -36.3 -10.1 58 69 A H S < S- 0 0 20 -4,-2.1 -1,-0.2 -27,-0.1 -29,-0.1 -0.998 80.8-106.9-140.1 139.7 -7.5 -36.0 -6.3 59 70 A R - 0 0 25 -31,-0.6 -25,-2.7 -2,-0.4 2,-0.5 -0.412 34.6-152.0 -59.7 133.3 -8.5 -33.4 -3.7 60 71 A C E -Bc 26 34A 0 -34,-2.9 -34,-2.0 -27,-0.2 2,-0.5 -0.973 13.2-175.3-115.0 124.0 -5.5 -31.8 -2.1 61 72 A I E +Bc 25 35A 0 -27,-2.8 -25,-2.9 -2,-0.5 -36,-0.2 -0.983 5.2 174.6-120.1 123.5 -5.7 -30.4 1.4 62 73 A A E -B 24 0A 0 -38,-2.2 -38,-2.1 -2,-0.5 -18,-0.1 -0.817 11.2-167.3-135.3 93.2 -2.7 -28.5 2.7 63 74 A P E -B 23 0A 0 0, 0.0 2,-0.6 0, 0.0 -25,-0.5 -0.425 22.2-125.9 -77.6 153.5 -3.1 -26.9 6.2 64 75 A D - 0 0 4 -42,-2.9 -42,-0.3 -21,-0.1 3,-0.1 -0.886 37.9-114.9 -89.7 124.7 -0.8 -24.4 7.8 65 76 A L > - 0 0 2 -2,-0.6 3,-2.3 1,-0.1 6,-0.3 -0.182 45.3 -79.8 -54.4 151.7 0.1 -25.7 11.2 66 77 A I T 3 S+ 0 0 1 1,-0.3 7,-0.2 17,-0.1 -1,-0.1 -0.284 121.7 20.9 -53.4 137.9 -1.1 -23.7 14.2 67 78 A G T 3 S+ 0 0 1 5,-2.5 -1,-0.3 1,-0.2 2,-0.3 0.450 115.7 84.9 79.3 1.3 1.1 -20.7 14.7 68 79 A X S X S- 0 0 0 -3,-2.3 3,-2.2 4,-0.2 -1,-0.2 -0.814 83.7 -4.2-133.4 169.2 2.4 -20.9 11.2 69 80 A G T 3 S- 0 0 10 -27,-0.3 -26,-0.1 -2,-0.3 -3,-0.0 -0.210 125.7 -27.7 52.7-131.8 1.5 -19.7 7.7 70 81 A K T 3 S+ 0 0 93 -48,-0.1 -1,-0.3 2,-0.0 -47,-0.1 0.288 109.7 113.4 -98.2 9.9 -1.9 -18.0 7.7 71 82 A S S < S- 0 0 5 -3,-2.2 -50,-0.2 -6,-0.3 -6,-0.1 -0.357 78.3 -85.4 -76.9 160.6 -3.2 -19.9 10.7 72 83 A D - 0 0 49 -52,-3.0 -5,-2.5 1,-0.1 -4,-0.2 -0.181 31.1-136.5 -64.5 162.9 -3.9 -18.2 13.9 73 84 A K + 0 0 66 -7,-0.2 -1,-0.1 -6,-0.1 -7,-0.0 -0.613 27.2 179.8-125.2 66.4 -1.2 -17.6 16.5 74 85 A P - 0 0 15 0, 0.0 2,-1.9 0, 0.0 303,-0.1 -0.195 45.1 -93.9 -63.2 161.5 -2.5 -18.4 20.0 75 86 A D S S+ 0 0 109 301,-0.1 2,-0.2 2,-0.0 -2,-0.0 -0.567 75.7 136.6 -77.8 79.0 -0.3 -18.0 23.1 76 87 A L - 0 0 11 -2,-1.9 300,-0.2 300,-0.2 299,-0.1 -0.743 66.9-120.3-115.0 168.2 0.9 -21.7 23.2 77 88 A G - 0 0 4 -2,-0.2 299,-0.1 297,-0.1 126,-0.1 0.673 42.5-133.9 -77.8 -17.7 4.3 -23.2 23.9 78 89 A Y + 0 0 10 1,-0.2 2,-0.0 125,-0.1 298,-0.0 0.815 45.0 163.5 62.0 35.3 4.0 -24.8 20.4 79 90 A F >> - 0 0 6 1,-0.1 4,-1.6 127,-0.0 3,-1.1 -0.341 58.1-100.8 -66.6 160.0 5.2 -28.1 21.7 80 91 A F H 3> S+ 0 0 1 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.897 124.7 64.2 -51.0 -39.3 4.5 -31.2 19.5 81 92 A D H 3> S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.873 100.7 50.7 -52.0 -40.8 1.5 -31.9 21.8 82 93 A D H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 5,-0.2 0.932 110.9 47.4 -64.4 -46.2 -0.0 -28.6 20.6 83 94 A H H X S+ 0 0 3 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.906 111.2 51.7 -62.7 -39.9 0.5 -29.5 17.0 84 95 A V H X S+ 0 0 17 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.942 110.9 47.9 -59.9 -48.5 -1.0 -33.0 17.5 85 96 A R H X S+ 0 0 14 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.940 115.4 43.6 -61.3 -45.8 -4.1 -31.6 19.2 86 97 A F H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.895 114.9 48.2 -70.6 -38.8 -4.7 -29.0 16.5 87 98 A X H X S+ 0 0 7 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.900 109.8 52.0 -69.9 -38.7 -4.0 -31.3 13.6 88 99 A D H X S+ 0 0 37 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.946 113.6 45.7 -57.3 -47.2 -6.3 -34.0 15.0 89 100 A A H X S+ 0 0 22 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.839 108.7 55.6 -68.3 -33.0 -9.0 -31.5 15.3 90 101 A F H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.940 107.2 49.7 -60.0 -49.1 -8.4 -30.0 11.9 91 102 A I H <>S+ 0 0 2 -4,-2.3 5,-2.0 1,-0.2 -2,-0.2 0.918 113.9 44.9 -60.0 -43.3 -8.9 -33.4 10.3 92 103 A E H ><5S+ 0 0 101 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.874 107.5 58.3 -68.8 -35.2 -12.1 -34.0 12.2 93 104 A A H 3<5S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 106.5 49.4 -66.4 -27.4 -13.4 -30.5 11.4 94 105 A L T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.449 111.8-125.5 -85.1 -4.0 -13.1 -31.3 7.7 95 106 A G T < 5 + 0 0 53 -3,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.811 44.6 175.7 65.5 32.2 -15.0 -34.5 8.3 96 107 A L < + 0 0 10 -5,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.434 14.4 174.9 -73.1 143.0 -12.2 -36.6 6.7 97 108 A E + 0 0 142 1,-0.5 2,-0.3 -2,-0.1 -1,-0.1 0.601 65.8 8.2-107.2 -95.2 -12.6 -40.4 6.8 98 109 A E S S+ 0 0 37 197,-0.1 -1,-0.5 24,-0.1 2,-0.3 -0.645 77.2 177.2 -88.2 148.1 -9.9 -42.2 4.9 99 110 A V E - e 0 122A 0 22,-2.5 24,-2.7 -2,-0.3 25,-0.5 -0.963 31.4-132.7-144.0 160.3 -6.9 -40.2 3.6 100 111 A V E -de 34 124A 0 -67,-2.2 -65,-3.0 -2,-0.3 2,-0.4 -0.968 31.5-143.0-109.0 135.2 -3.6 -40.4 1.8 101 112 A L E -de 35 125A 2 23,-2.6 25,-2.9 -2,-0.4 2,-0.4 -0.803 19.3-173.9-101.0 142.2 -0.8 -38.5 3.5 102 113 A V E +de 36 126A 0 -67,-2.6 -65,-2.4 -2,-0.4 2,-0.3 -0.973 29.4 173.7-128.8 112.6 2.1 -36.5 1.9 103 114 A I E -de 37 127A 0 23,-2.7 25,-1.0 -2,-0.4 2,-0.3 -0.910 21.0-178.2-137.7 152.6 4.4 -35.4 4.7 104 115 A H E > - e 0 128A 1 -67,-1.6 3,-1.9 -2,-0.3 4,-0.3 -0.998 55.0 -31.4-147.3 139.1 7.7 -33.8 5.4 105 116 A D E >> S- e 0 130A 13 24,-1.4 3,-1.6 23,-1.1 4,-1.2 -0.193 132.0 -1.2 58.2-134.7 9.9 -32.8 8.5 106 117 A W H 3> S+ 0 0 5 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.811 132.4 64.9 -61.7 -24.7 7.7 -32.1 11.5 107 118 A G H <> S+ 0 0 0 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.812 97.3 55.9 -60.8 -32.3 4.7 -32.7 9.3 108 119 A S H <> S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.3 5,-0.3 0.880 103.8 51.5 -68.1 -39.6 6.0 -36.3 9.1 109 120 A A H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 5,-0.2 0.941 113.2 46.2 -62.2 -43.3 5.9 -36.7 12.8 110 121 A L H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.942 116.1 45.4 -60.6 -47.3 2.3 -35.4 12.8 111 122 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.931 114.7 44.7 -66.9 -46.0 1.4 -37.7 9.9 112 123 A F H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.899 114.1 50.3 -65.9 -40.5 3.0 -40.9 11.2 113 124 A H H X S+ 0 0 21 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.901 113.4 46.6 -64.1 -39.0 1.6 -40.3 14.7 114 125 A W H X S+ 0 0 7 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.930 111.5 50.8 -66.2 -44.6 -1.8 -39.8 13.3 115 126 A A H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 7,-0.2 0.921 106.8 54.3 -62.0 -42.7 -1.6 -42.8 11.1 116 127 A K H 3< S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.886 113.8 42.5 -55.9 -41.4 -0.5 -45.1 14.0 117 128 A R H 3< S+ 0 0 89 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.585 123.5 37.3 -82.8 -11.7 -3.6 -44.0 15.9 118 129 A N XX + 0 0 36 -4,-1.0 3,-1.8 -3,-0.8 4,-1.0 -0.411 67.6 154.9-135.5 55.6 -5.9 -44.3 12.9 119 130 A P T 34 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.757 71.7 55.4 -65.0 -24.4 -4.6 -47.3 11.0 120 131 A E T 34 S+ 0 0 156 1,-0.2 -5,-0.1 -3,-0.1 -22,-0.0 0.591 108.7 50.0 -81.6 -11.6 -7.9 -48.1 9.3 121 132 A R T <4 S+ 0 0 50 -3,-1.8 -22,-2.5 -6,-0.2 2,-0.5 0.630 88.3 90.0 -98.5 -19.7 -8.1 -44.6 7.8 122 133 A I E < +e 99 0A 8 -4,-1.0 -22,-0.2 -7,-0.2 3,-0.1 -0.687 42.1 170.8 -88.3 125.5 -4.7 -44.3 6.3 123 134 A K E - 0 0 77 -24,-2.7 2,-0.2 -2,-0.5 170,-0.2 0.484 65.4 -9.0-111.9 -5.9 -4.5 -45.5 2.7 124 135 A G E -e 100 0A 0 -25,-0.5 -23,-2.6 109,-0.1 -1,-0.4 -0.853 54.5-148.7 177.1 148.3 -1.0 -44.4 1.7 125 136 A I E -ef 101 235A 0 109,-2.3 111,-2.4 -2,-0.2 2,-0.5 -0.965 6.9-173.3-133.9 118.2 1.9 -42.4 3.0 126 137 A A E +ef 102 236A 0 -25,-2.9 -23,-2.7 -2,-0.4 2,-0.3 -0.936 25.5 168.0-100.1 134.5 4.4 -40.4 0.8 127 138 A F E +ef 103 237A 0 109,-2.8 111,-2.6 -2,-0.5 2,-0.3 -0.942 18.9 177.0-150.5 163.5 7.2 -39.0 3.0 128 139 A X E +ef 104 238A 0 -25,-1.0 -23,-1.1 -2,-0.3 111,-0.1 -0.958 66.1 8.6-166.1 145.7 10.6 -37.3 2.9 129 140 A E E S+ 0 0 3 109,-0.6 -24,-1.4 -2,-0.3 -21,-0.2 0.900 88.0 175.3 43.0 60.6 13.2 -35.8 5.2 130 141 A F E -e 105 0A 0 -26,-0.2 2,-0.6 -22,-0.1 -1,-0.1 -0.443 34.5 -94.5-103.5 168.0 11.2 -37.1 8.1 131 142 A I + 0 0 3 -26,-0.6 -1,-0.1 -2,-0.1 115,-0.1 -0.725 49.2 153.0 -91.6 123.6 11.7 -37.2 11.9 132 143 A R - 0 0 28 -2,-0.6 2,-0.1 113,-0.2 90,-0.1 -0.891 53.9 -76.1-136.5 162.6 13.3 -40.3 13.4 133 144 A P - 0 0 33 0, 0.0 77,-0.2 0, 0.0 75,-0.0 -0.427 35.4-156.5 -68.5 141.8 15.3 -40.7 16.6 134 145 A I B -h 210 0B 8 75,-2.6 77,-3.1 1,-0.1 78,-0.3 -0.932 5.2-168.4-117.1 96.6 18.9 -39.5 16.4 135 146 A P + 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.805 68.8 18.5 -66.2 -26.8 20.7 -41.4 19.2 136 147 A T S > S- 0 0 53 75,-0.1 3,-1.6 74,-0.1 75,-0.1 -0.968 74.5-117.0-137.8 158.0 23.9 -39.2 19.0 137 148 A W G > S+ 0 0 56 -2,-0.3 3,-1.5 1,-0.3 12,-0.1 0.694 108.7 74.4 -63.7 -17.5 25.0 -35.8 17.7 138 149 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.3 7,-0.0 4,-0.1 0.763 88.4 60.2 -66.3 -21.4 27.3 -37.7 15.4 139 150 A E G < S+ 0 0 88 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.197 88.9 86.5 -93.7 15.4 24.3 -38.7 13.3 140 151 A W S < S- 0 0 7 -3,-1.5 5,-0.1 -6,-0.1 105,-0.1 -0.943 95.8 -95.0-112.4 135.2 23.4 -35.0 12.6 141 152 A P >> - 0 0 25 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.209 26.3-133.6 -55.8 138.5 25.2 -33.4 9.6 142 153 A E H >> S+ 0 0 145 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.836 102.6 64.3 -65.4 -35.4 28.3 -31.4 10.4 143 154 A F H 34 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.643 119.9 27.5 -62.8 -10.2 27.4 -28.3 8.4 144 155 A A H <> S+ 0 0 11 -3,-1.7 4,-2.3 2,-0.1 -1,-0.2 0.318 93.9 94.9-131.4 4.2 24.5 -28.0 10.9 145 156 A R H S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.945 110.4 43.5 -63.0 -49.3 23.9 -24.6 14.9 148 159 A F H X S+ 0 0 17 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.844 111.5 54.6 -71.7 -28.8 21.3 -27.1 16.2 149 160 A Q H < S+ 0 0 73 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.908 110.5 47.4 -63.8 -40.6 23.2 -27.5 19.4 150 161 A A H >< S+ 0 0 20 -4,-2.2 3,-1.8 1,-0.2 7,-0.4 0.893 105.9 57.4 -66.5 -40.9 23.0 -23.8 19.8 151 162 A F H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 111.5 43.8 -54.6 -33.2 19.3 -23.8 19.0 152 163 A R T 3< S+ 0 0 52 -4,-1.2 2,-0.5 -3,-0.2 -1,-0.3 0.222 92.7 104.6 -99.6 10.4 18.9 -26.2 21.9 153 164 A T S <> S- 0 0 67 -3,-1.8 4,-2.5 1,-0.1 5,-0.3 -0.834 85.4 -98.3 -95.1 130.8 21.2 -24.2 24.2 154 165 A T T 4 S- 0 0 102 -2,-0.5 2,-2.1 1,-0.2 -2,-0.1 -0.171 97.6 -11.8 -51.1 130.5 19.5 -22.1 26.9 155 166 A D T > S+ 0 0 127 1,-0.2 4,-2.1 -4,-0.1 -1,-0.2 -0.265 125.9 74.2 72.3 -50.0 19.1 -18.4 26.0 156 167 A V H > S+ 0 0 62 -2,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.922 93.0 52.8 -55.0 -48.1 21.4 -18.7 23.0 157 168 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 -7,-0.4 5,-0.3 0.867 109.4 48.4 -60.5 -38.5 18.9 -20.6 20.8 158 169 A R H >>S+ 0 0 83 -5,-0.3 4,-2.0 2,-0.2 5,-2.0 0.879 107.7 55.1 -70.5 -39.2 16.2 -17.9 21.4 159 170 A K H <>S+ 0 0 87 -4,-2.1 5,-1.8 3,-0.2 -2,-0.2 0.937 115.5 40.4 -55.5 -45.7 18.6 -15.1 20.6 160 171 A L H <5S+ 0 0 32 -4,-2.3 6,-2.6 3,-0.2 -2,-0.2 0.969 127.3 28.7 -68.0 -53.9 19.3 -16.8 17.3 161 172 A I H <5S+ 0 0 0 -4,-2.8 7,-0.2 4,-0.2 -3,-0.2 0.899 131.4 29.8 -82.5 -43.4 15.8 -18.0 16.3 162 173 A I T <5S+ 0 0 13 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.941 129.6 31.7 -82.5 -54.8 13.5 -15.4 18.0 163 174 A D T > + 0 0 12 -6,-0.2 4,-2.7 -4,-0.2 3,-0.9 0.813 44.7 160.1 57.4 36.4 15.2 -15.0 12.9 166 177 A V H 3>> + 0 0 36 -6,-2.6 5,-2.3 1,-0.2 4,-2.3 0.789 63.6 62.9 -61.6 -32.2 17.9 -17.4 11.9 167 178 A F H 34>S+ 0 0 14 3,-0.2 5,-1.9 -6,-0.2 -1,-0.2 0.880 116.4 31.6 -63.4 -33.7 15.6 -20.3 11.1 168 179 A I H <45S+ 0 0 0 -3,-0.9 -2,-0.2 -7,-0.2 -1,-0.2 0.899 126.2 40.3 -85.1 -46.0 14.1 -18.2 8.3 169 180 A E H <5S+ 0 0 87 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.705 136.7 7.7 -81.0 -17.8 17.1 -16.1 7.2 170 181 A G T X5S+ 0 0 6 -4,-2.3 4,-1.9 -5,-0.3 -3,-0.2 0.689 125.1 46.7-127.6 -60.0 19.6 -18.9 7.5 171 182 A T T 444 S+ 0 0 38 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.846 109.4 61.0 -70.5 -23.5 17.8 -21.4 2.6 174 185 A X G 3< S+ 0 0 143 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.538 98.2 61.1 -79.3 0.1 20.5 -23.7 3.7 175 186 A G G < S+ 0 0 5 -3,-1.8 97,-2.3 -4,-0.4 96,-1.5 0.294 94.3 73.5 -99.1 6.3 18.0 -26.5 3.4 176 187 A V < - 0 0 7 -3,-1.6 4,-0.1 94,-0.2 93,-0.1 -0.983 67.5-153.6-120.4 129.8 17.5 -25.9 -0.3 177 188 A V S S+ 0 0 70 -2,-0.4 -1,-0.2 95,-0.2 92,-0.1 0.975 83.4 55.5 -68.3 -51.4 20.2 -27.0 -2.8 178 189 A R S S- 0 0 48 1,-0.1 2,-0.6 97,-0.0 -2,-0.1 -0.295 106.1 -89.9 -71.9 164.1 19.3 -24.3 -5.4 179 190 A P - 0 0 113 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.665 37.1-133.9 -81.3 118.0 19.1 -20.7 -4.5 180 191 A L - 0 0 23 -2,-0.6 2,-0.1 -4,-0.1 -4,-0.0 -0.431 27.5-121.6 -61.6 142.1 15.7 -19.6 -3.2 181 192 A T > - 0 0 60 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.355 19.0-107.7 -82.8 165.2 14.6 -16.4 -4.8 182 193 A E H > S+ 0 0 123 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 121.1 53.5 -58.2 -41.5 13.7 -13.1 -3.0 183 194 A V H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 110.4 46.7 -60.6 -42.6 10.1 -13.7 -3.8 184 195 A E H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.926 111.4 51.6 -66.7 -45.4 10.2 -17.2 -2.3 185 196 A X H X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.917 107.5 52.8 -54.3 -45.3 12.0 -15.9 0.8 186 197 A D H X S+ 0 0 78 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.884 106.5 53.0 -63.6 -36.0 9.4 -13.2 1.2 187 198 A H H < S+ 0 0 46 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.943 112.4 44.6 -60.6 -45.9 6.6 -15.8 1.1 188 199 A Y H < S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 112.3 52.9 -68.8 -28.5 8.4 -17.8 3.8 189 200 A R H >< S+ 0 0 45 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.759 85.6 90.2 -73.5 -25.3 9.1 -14.6 5.9 190 201 A E G >< S+ 0 0 93 -4,-1.4 3,-0.8 -3,-0.4 -1,-0.2 0.786 85.2 45.4 -47.7 -46.7 5.4 -13.5 5.9 191 202 A P G 3 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.623 114.3 48.6 -75.7 -8.2 4.2 -15.2 9.1 192 203 A F G < + 0 0 1 -3,-2.1 -2,-0.2 -4,-0.2 6,-0.1 0.046 62.7 118.1-126.8 23.7 7.1 -14.2 11.2 193 204 A L S < S+ 0 0 132 -3,-0.8 -1,-0.1 -4,-0.2 -3,-0.1 0.830 74.0 63.6 -59.1 -34.8 7.7 -10.4 10.7 194 205 A N S > S- 0 0 87 -3,-0.2 3,-1.6 1,-0.1 4,-0.2 -0.853 84.4-140.4 -92.7 121.8 7.0 -9.9 14.4 195 206 A P G > S+ 0 0 52 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.798 97.8 63.1 -51.9 -34.9 9.6 -11.7 16.6 196 207 A V G > S+ 0 0 93 1,-0.3 3,-1.1 2,-0.1 -33,-0.0 0.844 94.9 62.5 -62.9 -28.0 7.1 -12.9 19.2 197 208 A D G < S+ 0 0 46 -3,-1.6 -1,-0.3 1,-0.3 4,-0.2 0.497 83.5 81.5 -74.5 0.3 5.4 -15.0 16.5 198 209 A R G X> + 0 0 22 -3,-2.2 4,-1.1 1,-0.2 3,-0.8 0.439 56.1 107.0 -88.3 4.0 8.6 -17.0 16.1 199 210 A E H X> S+ 0 0 39 -3,-1.1 4,-2.7 1,-0.2 3,-0.9 0.873 76.3 51.5 -50.0 -48.8 8.0 -19.3 19.1 200 211 A P H 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.865 104.2 59.2 -61.2 -29.3 7.1 -22.4 17.0 201 212 A L H <4 S+ 0 0 0 -3,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.790 113.3 37.5 -67.0 -30.1 10.3 -22.0 15.1 202 213 A W H X S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.2 4,-0.7 0.925 103.6 43.6 -56.0 -52.4 10.5 -27.3 17.1 205 216 A P H >4 S+ 0 0 2 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.833 111.5 57.4 -65.5 -24.9 14.3 -27.8 17.2 206 217 A N H 3< S+ 0 0 29 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.1 0.564 105.5 50.8 -75.6 -8.6 14.0 -28.1 20.9 207 218 A E H << S+ 0 0 9 -3,-1.7 -1,-0.2 -4,-0.7 -3,-0.1 0.484 80.6 120.4-100.9 -10.3 11.5 -31.0 20.4 208 219 A L S << S- 0 0 9 -4,-0.7 2,-1.4 -3,-0.5 5,-0.1 -0.313 73.2-117.5 -58.6 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