==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-SEP-07 2Z87 . COMPND 2 MOLECULE: CHONDROITIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.OSAWA,N.SUGIURA,H.SHIMADA,R.HIROOKA,A.TSUJI,M.KIMURA, . 1192 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 800 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 7.1 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 126 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 4 2 7 2 2 8 2 6 3 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 0 4 2 4 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 . 5 6 7 2 3 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 . 3 0 1 1 0 0 0 1 1 0 0 0 1 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 59 A A 0 0 152 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-154.4 22.7 41.3 25.1 2 60 A V - 0 0 142 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.178 360.0 -25.3-171.4 -84.6 19.3 39.7 26.0 3 61 A I + 0 0 116 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.915 63.2 146.0-145.7 165.3 18.5 36.0 25.2 4 62 A D - 0 0 92 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.904 40.5 -77.6-172.6-158.7 19.8 33.5 22.5 5 63 A I - 0 0 58 -2,-0.3 5,-0.1 1,-0.1 403,-0.0 -0.952 62.2 -68.6-129.1 150.7 20.8 30.0 21.5 6 64 A D > - 0 0 10 -2,-0.3 4,-1.8 1,-0.1 -1,-0.1 0.188 31.9-132.2 -37.9 147.9 23.9 28.0 22.3 7 65 A A H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.789 104.3 65.8 -74.2 -29.5 27.3 29.0 20.9 8 66 A A H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.967 111.7 33.8 -54.6 -54.8 28.0 25.4 19.8 9 67 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.836 111.9 63.8 -69.6 -36.8 25.1 25.6 17.4 10 68 A K H X S+ 0 0 60 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.900 104.2 47.7 -55.5 -43.8 25.8 29.3 16.6 11 69 A I H X S+ 0 0 3 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.896 109.2 52.3 -66.6 -42.2 29.2 28.4 15.2 12 70 A M H X S+ 0 0 2 -4,-1.3 4,-1.1 1,-0.2 341,-0.2 0.889 108.9 49.2 -62.8 -41.2 27.9 25.6 13.0 13 71 A C H X S+ 0 0 50 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.814 113.5 49.6 -67.2 -29.5 25.3 27.8 11.4 14 72 A S H < S+ 0 0 9 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.951 106.5 51.5 -72.4 -51.3 28.1 30.3 10.8 15 73 A N H < S+ 0 0 42 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.763 111.8 55.1 -56.4 -22.5 30.4 27.7 9.3 16 74 A A H < S+ 0 0 62 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.976 84.9 82.0 -75.8 -61.3 27.4 27.0 7.1 17 75 A K S < S- 0 0 114 -4,-2.1 4,-0.2 1,-0.2 0, 0.0 -0.250 77.7-138.9 -49.3 123.5 26.6 30.4 5.7 18 76 A A S S+ 0 0 109 1,-0.1 2,-0.8 2,-0.1 -1,-0.2 0.482 88.3 82.4 -66.4 -2.4 29.0 30.9 2.7 19 77 A I S S- 0 0 136 -5,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.855 90.4-125.9-109.5 96.5 29.4 34.5 3.9 20 78 A S - 0 0 115 -2,-0.8 2,-0.1 1,-0.1 3,-0.1 -0.131 12.8-132.2 -47.4 116.4 32.0 34.4 6.7 21 79 A L - 0 0 37 -4,-0.2 -1,-0.1 -7,-0.2 2,-0.1 -0.467 49.5 -80.7 -66.8 139.6 31.0 36.0 10.0 22 80 A N >> - 0 0 76 1,-0.2 3,-2.9 -2,-0.1 4,-1.6 -0.224 35.3-131.8 -53.6 116.2 33.8 38.4 11.1 23 81 A E H 3> S+ 0 0 145 1,-0.3 4,-3.3 2,-0.2 5,-0.4 0.807 106.1 66.2 -33.2 -45.5 36.5 36.3 12.8 24 82 A V H 3> S+ 0 0 112 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.878 110.6 34.9 -48.4 -44.1 36.5 38.8 15.6 25 83 A E H <> S+ 0 0 93 -3,-2.9 4,-2.0 2,-0.2 5,-0.2 0.969 115.7 54.3 -73.9 -58.5 32.9 37.7 16.5 26 84 A K H X S+ 0 0 52 -4,-1.6 4,-2.7 1,-0.2 3,-0.4 0.891 110.0 47.4 -41.7 -55.6 33.4 34.0 15.6 27 85 A N H X S+ 0 0 81 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.929 107.4 55.7 -54.7 -50.4 36.4 33.7 17.9 28 86 A E H X S+ 0 0 133 -4,-1.3 4,-1.6 -5,-0.4 -1,-0.2 0.855 113.2 42.7 -51.5 -38.7 34.7 35.4 20.8 29 87 A I H X S+ 0 0 26 -4,-2.0 4,-1.9 -3,-0.4 -1,-0.2 0.899 110.8 54.1 -76.3 -42.6 31.8 32.9 20.5 30 88 A I H X S+ 0 0 12 -4,-2.7 4,-3.0 -5,-0.2 3,-0.4 0.951 110.2 48.1 -56.6 -49.2 34.2 29.9 20.0 31 89 A S H X S+ 0 0 68 -4,-3.1 4,-2.5 1,-0.3 5,-0.3 0.946 107.4 54.1 -56.1 -50.1 36.0 30.8 23.2 32 90 A K H X S+ 0 0 93 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.3 0.834 111.7 48.0 -54.0 -31.6 32.7 31.2 25.1 33 91 A Y H >X S+ 0 0 6 -4,-1.9 4,-1.8 -3,-0.4 3,-0.8 0.969 107.8 52.9 -71.3 -55.7 32.0 27.7 23.9 34 92 A R H 3< S+ 0 0 126 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.832 112.1 46.2 -48.4 -40.1 35.4 26.3 24.9 35 93 A E H >< S+ 0 0 119 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.767 109.2 52.3 -79.5 -25.8 35.0 27.6 28.4 36 94 A I H << S+ 0 0 71 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.745 116.3 40.9 -80.7 -22.3 31.4 26.5 29.0 37 95 A T T 3< S+ 0 0 18 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.334 90.0 100.3-116.4 46.3 32.4 22.9 28.0 38 96 A A < + 0 0 59 -3,-0.8 -2,-0.1 2,-0.1 -1,-0.1 0.839 52.2 92.7 -97.1 -45.0 35.7 22.9 29.8 39 97 A K - 0 0 109 -4,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.037 66.1-142.3 -48.5 152.4 35.0 21.0 33.0 40 98 A K - 0 0 168 411,-0.1 -1,-0.1 412,-0.0 -2,-0.1 -0.962 25.0 -99.0-123.0 141.5 35.7 17.3 32.9 41 99 A S - 0 0 5 -2,-0.4 2,-0.5 1,-0.1 509,-0.1 -0.370 42.7-127.1 -57.7 132.1 33.6 14.6 34.5 42 100 A E E -A 549 0A 94 507,-0.5 507,-2.2 1,-0.1 -1,-0.1 -0.715 22.5-114.6 -87.9 127.2 35.2 13.7 37.8 43 101 A R E -A 548 0A 173 -2,-0.5 505,-0.3 505,-0.3 2,-0.2 -0.033 36.0-117.4 -52.9 162.2 36.0 10.0 38.4 44 102 A A - 0 0 10 503,-2.1 2,-0.2 1,-0.1 -1,-0.1 -0.612 38.2 -65.5-107.7 167.1 34.1 8.2 41.2 45 103 A E - 0 0 114 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.262 55.9-124.5 -50.2 109.3 35.0 6.5 44.4 46 104 A L - 0 0 164 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.448 39.1-177.4 -62.5 115.8 37.0 3.4 43.4 47 105 A K - 0 0 94 -2,-0.4 2,-0.3 442,-0.1 -1,-0.1 -0.184 18.7-139.2-102.3-163.1 35.2 0.4 44.9 48 106 A E + 0 0 176 -2,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.846 31.8 149.7-163.0 121.1 35.8 -3.4 45.0 49 107 A V - 0 0 70 -2,-0.3 3,-0.1 441,-0.0 -2,-0.0 -0.960 49.6 -77.3-159.8 175.7 33.3 -6.2 44.7 50 108 A E - 0 0 88 -2,-0.3 -2,-0.0 1,-0.2 4,-0.0 -0.573 37.7-155.5 -69.6 97.9 31.7 -9.6 43.9 51 109 A P S S+ 0 0 87 0, 0.0 446,-0.2 0, 0.0 -1,-0.2 0.903 84.2 29.7 -44.5 -57.7 31.2 -9.5 40.1 52 110 A I S S- 0 0 76 444,-0.1 4,-0.1 -3,-0.1 443,-0.0 -0.852 101.9-109.6-112.9 100.0 28.3 -12.1 40.1 53 111 A P > - 0 0 3 0, 0.0 3,-1.6 0, 0.0 443,-0.0 0.181 20.4-134.2 -25.8 127.2 26.3 -12.1 43.3 54 112 A L T 3 S+ 0 0 137 1,-0.3 -2,-0.0 -4,-0.0 0, 0.0 0.861 103.8 65.6 -57.1 -40.9 27.0 -15.2 45.3 55 113 A D T 3 S+ 0 0 87 2,-0.1 -1,-0.3 3,-0.0 546,-0.2 0.685 77.7 114.2 -56.1 -19.9 23.3 -15.8 45.9 56 114 A W S < S- 0 0 22 -3,-1.6 -4,-0.0 -4,-0.1 441,-0.0 -0.384 79.7-105.5 -60.8 123.1 23.0 -16.3 42.1 57 115 A P - 0 0 13 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.108 16.7-144.9 -48.8 139.4 22.0 -19.9 41.3 58 116 A S S S+ 0 0 130 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.390 99.1 53.5 -91.2 4.8 24.7 -22.1 40.0 59 117 A D S S+ 0 0 76 1,-0.0 2,-0.6 0, 0.0 -1,-0.2 0.375 91.5 88.8-113.7 -2.0 22.3 -23.9 37.7 60 118 A L + 0 0 11 -3,-0.4 2,-0.4 522,-0.0 522,-0.0 -0.882 47.9 170.9-106.3 121.5 21.0 -20.8 36.0 61 119 A T - 0 0 112 -2,-0.6 -3,-0.0 -3,-0.0 0, 0.0 -0.892 28.8-131.6-133.2 104.2 22.7 -19.4 32.9 62 120 A L - 0 0 11 -2,-0.4 3,-0.1 1,-0.2 519,-0.1 -0.127 46.0 -80.4 -51.1 142.5 21.2 -16.6 30.9 63 121 A P - 0 0 42 0, 0.0 -1,-0.2 0, 0.0 518,-0.0 -0.215 58.7-103.6 -49.3 118.4 21.0 -17.1 27.1 64 122 A P - 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.087 38.8-114.2 -46.1 138.9 24.5 -16.3 25.7 65 123 A L - 0 0 46 1,-0.1 2,-0.2 -3,-0.1 476,-0.1 -0.047 39.6 -82.0 -68.5 176.7 24.7 -12.9 24.0 66 124 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.596 30.2-127.8 -83.3 146.3 25.3 -12.5 20.3 67 125 A E S S- 0 0 140 -2,-0.2 2,-0.3 -3,-0.1 474,-0.0 0.421 87.2 -6.0 -75.4 4.2 28.9 -12.6 19.0 68 126 A S S > S- 0 0 4 3,-0.1 3,-0.8 398,-0.1 194,-0.1 -0.951 85.1 -86.4-177.4 175.9 28.5 -9.3 17.2 69 127 A T T 3 S+ 0 0 22 -2,-0.3 194,-0.1 192,-0.2 192,-0.1 0.655 126.9 42.1 -76.6 -12.2 25.9 -6.8 16.3 70 128 A N T 3 S+ 0 0 0 192,-0.3 2,-1.0 190,-0.2 242,-0.4 0.207 75.0 139.0-116.0 14.8 24.8 -8.7 13.2 71 129 A D <> + 0 0 5 -3,-0.8 4,-0.7 1,-0.2 189,-0.1 -0.456 22.8 175.2 -64.8 100.4 25.0 -12.2 14.7 72 130 A Y H > S+ 0 0 12 -2,-1.0 4,-1.2 240,-0.2 -1,-0.2 0.543 70.8 66.3 -85.6 -11.1 21.8 -13.8 13.1 73 131 A V H >> S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.949 105.4 44.9 -70.5 -49.3 22.4 -17.2 14.5 74 132 A W H 3> S+ 0 0 22 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.814 109.5 56.2 -60.6 -32.7 21.8 -15.8 17.9 75 133 A A H 3< S+ 0 0 15 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.833 103.3 56.3 -69.0 -31.0 18.8 -13.9 16.5 76 134 A G H << S+ 0 0 51 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.889 102.3 54.0 -66.9 -41.5 17.5 -17.3 15.4 77 135 A K H < S+ 0 0 163 -4,-1.6 2,-0.4 1,-0.1 -2,-0.2 0.967 81.2 97.9 -56.4 -55.2 17.6 -18.7 18.9 78 136 A R < - 0 0 94 -4,-1.7 -1,-0.1 1,-0.1 502,-0.1 -0.075 62.3-168.6 -40.1 88.4 15.5 -15.8 20.2 79 137 A K 0 0 131 -2,-0.4 -1,-0.1 1,-0.2 501,-0.1 0.934 360.0 360.0 -44.1 -91.7 12.2 -17.7 20.1 80 138 A E 0 0 180 499,-0.2 -1,-0.2 0, 0.0 501,-0.1 -0.783 360.0 360.0 114.9 360.0 9.6 -15.0 20.7 81 ! 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 82 146 A Q 0 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.9 2.6 -17.3 11.8 83 147 A L - 0 0 106 110,-0.1 2,-0.7 2,-0.0 110,-0.0 -0.724 360.0-124.0-109.5 159.7 3.9 -15.9 8.5 84 148 A I - 0 0 122 -2,-0.3 2,-1.7 1,-0.0 3,-0.3 -0.865 13.6-164.5-106.2 104.7 2.9 -16.3 4.8 85 149 A I + 0 0 60 -2,-0.7 3,-0.1 1,-0.2 108,-0.1 -0.507 34.7 146.2 -86.0 69.6 5.6 -17.6 2.5 86 150 A D - 0 0 48 -2,-1.7 30,-0.8 1,-0.2 2,-0.3 0.988 56.0 -53.5 -71.2 -66.0 3.8 -16.6 -0.7 87 151 A G E -j 116 0B 0 -3,-0.3 83,-0.5 28,-0.1 2,-0.5 -0.936 44.2 -96.6-163.5-175.5 6.5 -15.7 -3.3 88 152 A L E -jk 117 170B 0 28,-1.6 2,-0.8 -2,-0.3 30,-0.6 -0.891 27.4-149.7-121.8 99.2 9.6 -13.5 -4.1 89 153 A S E -jk 118 171B 0 81,-2.3 83,-1.9 -2,-0.5 2,-0.7 -0.544 17.7-157.1 -69.3 105.8 8.9 -10.3 -6.0 90 154 A I E -jk 119 172B 0 28,-3.4 30,-3.9 -2,-0.8 2,-0.6 -0.764 4.1-160.3 -92.7 112.3 12.1 -9.9 -8.0 91 155 A V E -jk 120 173B 0 81,-3.0 83,-2.9 -2,-0.7 30,-0.2 -0.791 5.4-170.6 -93.7 122.1 12.7 -6.3 -9.1 92 156 A I E -j 121 0B 0 28,-2.6 30,-2.6 -2,-0.6 2,-0.3 -0.875 13.3-147.8-117.0 101.9 15.1 -5.8 -12.0 93 157 A P E -j 122 0B 11 0, 0.0 83,-1.5 0, 0.0 2,-0.4 -0.491 22.6-170.0 -65.7 125.7 16.1 -2.2 -12.7 94 158 A T E +j 123 0B 2 28,-4.1 30,-1.9 -2,-0.3 2,-0.4 -0.973 25.8 173.6-129.3 131.5 16.7 -1.7 -16.4 95 159 A Y S S- 0 0 115 -2,-0.4 2,-0.1 1,-0.2 30,-0.1 -0.847 70.7 -59.9-131.2 94.0 18.1 1.1 -18.4 96 160 A N S S+ 0 0 23 -2,-0.4 5,-0.2 32,-0.2 -1,-0.2 -0.388 91.5 114.0 66.3-143.5 18.4 -0.1 -22.0 97 161 A R >> + 0 0 92 1,-0.1 4,-2.3 -3,-0.1 3,-1.5 0.876 36.1 165.4 45.5 46.9 20.6 -3.1 -22.6 98 162 A A H 3> + 0 0 5 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.877 69.7 60.7 -60.2 -38.2 17.5 -5.2 -23.7 99 163 A K H 3> S+ 0 0 169 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.696 111.2 42.0 -63.0 -16.9 19.7 -7.9 -25.1 100 164 A I H <> S+ 0 0 22 -3,-1.5 4,-2.7 2,-0.2 5,-0.3 0.846 107.7 54.7 -95.8 -44.7 21.1 -8.3 -21.6 101 165 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.871 106.3 60.8 -54.5 -33.3 17.9 -8.0 -19.6 102 166 A A H X S+ 0 0 5 -4,-2.3 4,-2.1 -5,-0.3 3,-0.3 0.972 104.6 43.0 -55.3 -61.6 16.9 -10.8 -22.0 103 167 A I H X S+ 0 0 4 -4,-0.9 4,-3.3 1,-0.3 5,-0.3 0.914 114.2 51.6 -51.6 -49.5 19.7 -13.2 -20.8 104 168 A T H < S+ 0 0 0 -4,-2.7 4,-0.3 72,-0.4 -1,-0.3 0.862 110.5 49.0 -57.8 -36.0 19.0 -12.3 -17.2 105 169 A L H < S+ 0 0 0 -4,-2.3 -1,-0.3 -3,-0.3 -2,-0.2 0.826 111.1 51.2 -72.3 -31.4 15.3 -13.1 -17.9 106 170 A A H >X S+ 0 0 0 -4,-2.1 3,-3.0 1,-0.2 4,-1.4 0.975 107.2 49.9 -68.3 -56.9 16.4 -16.4 -19.5 107 171 A C T 3< S+ 0 0 2 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.591 108.5 57.3 -59.4 -7.2 18.5 -17.4 -16.5 108 172 A L T 34 S+ 0 0 0 -4,-0.3 3,-0.4 -5,-0.3 -1,-0.3 0.503 100.1 56.0 -98.2 -10.6 15.4 -16.6 -14.4 109 173 A C T <4 S+ 0 0 32 -3,-3.0 -2,-0.2 -4,-0.2 -3,-0.1 0.776 98.5 63.9 -86.5 -31.6 13.3 -19.0 -16.4 110 174 A N S < S+ 0 0 22 -4,-1.4 2,-0.5 2,-0.1 -1,-0.2 0.110 74.2 139.6 -78.7 20.8 15.9 -21.7 -15.5 111 175 A Q - 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m 01145H 8 14,-0.6 13,-1.6 -2,-0.2 2,-0.4 -0.914 16.1-118.6-160.0-178.1 -31.3 -9.9 31.1 1069 550 B R E -Nm10801146H 22 76,-2.8 78,-1.1 11,-0.3 11,-0.3 -0.996 37.9-116.4-135.6 134.0 -31.9 -12.0 34.2 1070 551 B N E - m 01147H 18 9,-3.2 8,-1.6 -2,-0.4 2,-0.3 -0.290 30.2-157.0 -71.4 155.0 -29.1 -13.0 36.5 1071 552 B I E -Nm10771148H 5 76,-2.9 78,-1.4 6,-0.2 2,-0.4 -0.882 21.3-107.6-134.2 163.3 -28.0 -16.7 37.1 1072 553 B D - 0 0 59 4,-2.1 78,-0.1 -2,-0.3 76,-0.1 -0.727 44.7-107.7 -86.7 135.3 -26.3 -18.9 39.6 1073 554 B R S S+ 0 0 94 -2,-0.4 -1,-0.1 1,-0.2 75,-0.1 0.800 123.5 43.0 -28.6 -43.8 -22.8 -20.0 38.4 1074 555 B E S S- 0 0 138 2,-0.1 -1,-0.2 -3,-0.0 74,-0.0 0.994 129.9 -85.1 -70.7 -69.8 -24.5 -23.4 37.9 1075 556 B G S S+ 0 0 35 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 0.304 76.4 134.2-179.1 -22.9 -27.8 -22.4 36.3 1076 557 B N - 0 0 88 -5,-0.1 -4,-2.1 1,-0.1 2,-0.5 -0.221 60.7-118.1 -50.3 125.1 -30.4 -21.6 39.0 1077 558 B L E +N 1071 0H 90 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.559 38.7 177.3 -70.4 118.0 -32.2 -18.4 37.9 1078 559 B I E - 0 0 84 -8,-1.6 2,-0.3 -2,-0.5 -1,-0.1 0.737 49.4 -21.3 -87.1-107.2 -31.5 -15.7 40.6 1079 560 B S E - 0 0 57 -8,-0.1 -9,-3.2 1,-0.0 -1,-0.3 -0.744 69.7 -99.0-109.1 157.2 -32.9 -12.2 40.0 1080 561 B N E -N 1069 0H 64 -11,-0.3 -11,-0.3 -2,-0.3 3,-0.1 -0.532 46.8-104.1 -75.3 137.4 -34.0 -10.4 36.9 1081 562 B G - 0 0 11 -13,-1.6 -1,-0.1 64,-0.2 18,-0.0 -0.167 40.8 -90.7 -61.6 151.7 -31.5 -8.1 35.3 1082 563 B Y - 0 0 139 -15,-0.1 -14,-0.6 1,-0.0 2,-0.3 -0.009 43.8-165.9 -54.3 162.5 -31.8 -4.3 35.6 1083 564 B N - 0 0 20 -16,-0.1 3,-0.1 -3,-0.1 -16,-0.1 -0.884 22.0-158.0-161.9 125.8 -33.7 -2.4 32.9 1084 565 B W - 0 0 15 13,-0.3 15,-0.1 -2,-0.3 3,-0.1 -0.933 24.5-142.0-101.0 121.2 -34.0 1.2 31.9 1085 566 B P S S+ 0 0 14 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.912 77.9 20.7 -48.4 -56.1 -37.3 1.5 30.0 1086 567 B I S S- 0 0 105 -3,-0.1 2,-0.1 52,-0.0 52,-0.0 -0.959 77.3-125.9-127.0 140.6 -36.2 3.9 27.3 1087 568 B Y + 0 0 33 -2,-0.4 2,-0.2 50,-0.1 52,-0.1 -0.294 31.1 155.9 -80.2 162.2 -32.8 4.9 25.9 1088 569 B S > - 0 0 16 1,-0.1 4,-1.7 -2,-0.1 5,-0.2 -0.825 43.6-126.1-178.3 143.1 -31.2 8.4 25.6 1089 570 B R H > S+ 0 0 22 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.909 109.9 59.2 -65.2 -44.4 -27.6 9.5 25.4 1090 571 B E H 4 S+ 0 0 50 1,-0.2 -1,-0.2 2,-0.2 -433,-0.1 0.845 107.1 49.1 -53.6 -36.4 -28.0 11.9 28.3 1091 572 B K H >> S+ 0 0 30 1,-0.2 3,-2.5 -435,-0.2 4,-1.0 0.945 107.4 51.0 -70.1 -50.6 -29.0 9.0 30.5 1092 573 B L H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.769 105.4 59.5 -58.0 -26.0 -26.1 6.7 29.6 1093 574 B T T 3< S+ 0 0 9 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.286 109.4 43.7 -86.1 10.0 -23.8 9.6 30.4 1094 575 B S T <4 S- 0 0 0 -3,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.472 132.0 -10.0-127.0 -12.8 -25.2 9.6 33.9 1095 576 B A S < S- 0 0 39 -4,-1.0 2,-0.5 -3,-0.1 -1,-0.3 -0.627 83.1 -86.2 171.2 127.1 -25.3 5.8 34.7 1096 577 B M + 0 0 39 1,-0.2 -4,-0.1 -2,-0.2 -3,-0.1 -0.149 54.5 156.0 -44.6 93.7 -24.7 2.6 32.7 1097 578 B I + 0 0 1 -2,-0.5 2,-1.1 1,-0.1 -13,-0.3 0.170 41.1 104.5-107.4 13.1 -28.2 2.0 31.3 1098 579 B C - 0 0 0 -6,-0.1 3,-0.1 -15,-0.1 -1,-0.1 -0.667 62.8-162.4 -99.9 79.1 -26.9 -0.0 28.4 1099 580 B H - 0 0 15 -2,-1.1 2,-0.9 -33,-0.2 -32,-0.1 0.316 28.1 -63.8 -52.7-176.8 -27.8 -3.5 29.6 1100 581 B H S S+ 0 0 20 -35,-0.1 44,-0.2 45,-0.1 -1,-0.1 -0.850 102.3 59.0-103.6 102.9 -26.5 -6.8 28.4 1101 582 B F + 0 0 0 -2,-0.9 -35,-1.4 -35,-0.2 2,-0.4 0.105 65.5 173.7-157.8 140.8 -27.0 -7.9 25.1 1102 583 B R E + L 01065H 10 -66,-0.4 -66,-1.3 -37,-0.3 2,-0.3 -0.986 15.1 179.2-155.6 123.2 -25.6 -5.5 22.9 1103 584 B M E +JL10351064H 0 -39,-2.3 -39,-2.5 -2,-0.4 2,-0.3 -0.967 11.2 175.0-137.2 140.9 -25.1 -5.6 19.3 1104 585 B F E -JL10341063H 0 -70,-2.7 -70,-2.5 -2,-0.3 -41,-0.2 -0.944 36.2 -87.3-143.5 161.7 -23.6 -2.8 17.3 1105 586 B T E > -J 1033 0H 11 -43,-2.1 4,-2.4 -2,-0.3 5,-0.2 -0.487 24.9-134.1 -74.5 136.7 -22.5 -2.1 13.8 1106 587 B A H > S+ 0 0 1 -74,-2.6 4,-2.9 1,-0.2 5,-0.2 0.922 111.9 51.6 -52.5 -43.5 -19.1 -3.0 12.7 1107 588 B R H > S+ 0 0 3 -75,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.932 107.4 51.6 -59.2 -49.7 -18.9 0.4 11.1 1108 589 B A H >> S+ 0 0 5 2,-0.2 3,-3.6 1,-0.2 4,-0.5 0.981 110.8 47.7 -49.3 -68.0 -20.0 2.1 14.3 1109 590 B W H >< S+ 0 0 13 -4,-2.4 3,-3.4 1,-0.3 5,-0.5 0.891 108.6 55.1 -38.2 -56.7 -17.3 0.3 16.3 1110 591 B N H 3< S+ 0 0 34 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.653 99.9 60.9 -56.6 -15.3 -14.8 1.3 13.6 1111 592 B L H << S+ 0 0 25 -3,-3.6 -1,-0.3 -4,-0.9 -2,-0.2 0.507 103.4 66.8 -89.2 -3.1 -15.7 4.9 14.1 1112 593 B T S << S- 0 0 22 -3,-3.4 3,-0.1 -4,-0.5 19,-0.1 -0.522 94.0-107.7-108.9 179.5 -14.6 4.5 17.7 1113 594 B E - 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