==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JAN-08 2VL4 . COMPND 2 MOLECULE: BETA-MANNOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR L.E.TAILFORD,W.A.OFFEN,N.L.SMITH,C.DUMON,C.MORELAND, . 1677 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1199 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 412 24.6 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 . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 1.1 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 . 0 0.0 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 . 193 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 267 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 7 1 0 6 0 4 2 1 3 2 0 2 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 4 8 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 . 8 10 4 8 0 8 8 6 4 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 10 8 0 2 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 28 A N 0 0 130 0, 0.0 2,-0.2 0, 0.0 294,-0.1 0.000 360.0 360.0 360.0 -89.1 18.9 36.5 40.1 2 29 A D - 0 0 33 2,-0.2 292,-0.2 294,-0.1 293,-0.1 -0.847 360.0 -85.6-152.7-173.0 21.8 36.2 42.7 3 30 A T S S+ 0 0 48 290,-2.6 291,-0.1 -2,-0.2 292,-0.1 0.535 84.3 110.4 -85.2 -0.1 23.8 37.8 45.7 4 31 A S - 0 0 18 289,-0.2 2,-0.4 290,-0.2 187,-0.2 -0.283 59.1-142.0 -66.3 155.3 26.1 39.9 43.5 5 32 A E E -A 190 0A 84 185,-2.5 185,-2.7 69,-0.1 2,-0.5 -0.987 10.5-153.7-116.7 134.4 25.7 43.7 43.4 6 33 A V E -A 189 0A 64 -2,-0.4 2,-0.5 183,-0.2 183,-0.2 -0.920 5.3-164.8-109.8 129.1 26.2 45.6 40.2 7 34 A M E -A 188 0A 38 181,-3.2 181,-2.7 -2,-0.5 2,-0.6 -0.961 15.9-144.0-105.7 119.5 27.3 49.3 40.1 8 35 A L E -A 187 0A 104 -2,-0.5 2,-1.4 179,-0.2 179,-0.2 -0.750 1.1-151.8 -83.4 123.5 26.8 50.9 36.6 9 36 A L + 0 0 9 177,-2.7 177,-0.3 -2,-0.6 -1,-0.1 -0.632 58.3 118.7 -91.3 75.0 29.6 53.4 35.8 10 37 A D + 0 0 27 -2,-1.4 18,-0.4 175,-0.1 2,-0.3 0.227 59.1 52.4-129.2 10.5 27.3 55.6 33.6 11 38 A T S S+ 0 0 50 -3,-0.2 16,-0.1 16,-0.1 0, 0.0 -0.951 87.6 42.0-141.4 162.1 27.3 59.0 35.3 12 39 A G S S+ 0 0 45 -2,-0.3 55,-0.3 1,-0.3 2,-0.3 0.600 74.7 148.2 77.2 12.5 30.0 61.5 36.5 13 40 A W - 0 0 4 13,-0.4 13,-3.0 53,-0.1 2,-0.3 -0.577 24.8-172.1 -80.8 142.7 32.2 61.0 33.4 14 41 A E E -DE 25 65B 64 51,-2.8 51,-2.3 11,-0.3 2,-0.3 -0.912 4.1-157.9-124.9 158.3 34.3 63.8 32.0 15 42 A F E -DE 24 64B 6 9,-2.8 9,-2.2 -2,-0.3 2,-0.3 -0.931 5.4-170.5-133.6 161.8 36.4 64.1 28.8 16 43 A S E - E 0 63B 3 47,-2.2 47,-2.6 -2,-0.3 2,-0.5 -0.989 31.5-117.4-150.6 138.0 39.3 66.1 27.5 17 44 A Q E > - E 0 62B 61 5,-0.4 3,-2.2 -2,-0.3 4,-0.4 -0.674 57.6-100.0 -67.7 120.0 41.1 66.7 24.2 18 45 A S T 3 S+ 0 0 19 43,-2.5 43,-0.2 -2,-0.5 -1,-0.1 -0.157 104.7 18.6 -55.7 136.9 44.6 65.3 25.1 19 46 A G T 3 S+ 0 0 74 -3,-0.0 -1,-0.3 1,-0.0 43,-0.0 0.235 104.3 87.0 90.9 -11.0 47.2 68.0 25.9 20 47 A T S < S- 0 0 60 -3,-2.2 -2,-0.1 2,-0.1 3,-0.1 0.746 73.6-152.1 -93.1 -22.6 44.5 70.7 26.6 21 48 A E + 0 0 172 -4,-0.4 2,-0.5 1,-0.2 -3,-0.1 0.609 54.4 128.6 58.3 14.6 44.0 69.9 30.3 22 49 A K - 0 0 125 -5,-0.4 -5,-0.4 2,-0.0 2,-0.4 -0.886 42.8-162.2-103.9 125.5 40.5 71.3 29.8 23 50 A W + 0 0 51 -2,-0.5 -7,-0.2 -7,-0.1 -9,-0.0 -0.878 13.1 174.4-115.1 144.4 37.7 69.0 31.0 24 51 A M E -D 15 0B 41 -9,-2.2 -9,-2.8 -2,-0.4 15,-0.0 -0.954 41.0 -82.4-140.0 157.9 33.9 68.8 30.3 25 52 A P E -D 14 0B 83 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.265 46.5-166.9 -56.9 141.8 31.0 66.5 31.2 26 53 A A - 0 0 17 -13,-3.0 2,-0.5 2,-0.0 -13,-0.4 -0.865 18.9-127.5-125.6 166.7 30.6 63.4 29.0 27 54 A T - 0 0 48 -2,-0.3 4,-0.1 4,-0.2 8,-0.1 -0.967 31.0-132.6-115.5 128.1 27.9 60.9 28.4 28 55 A V S S+ 0 0 2 -2,-0.5 2,-0.2 -18,-0.4 155,-0.1 -0.998 92.6 41.7-133.5 128.7 28.9 57.2 28.7 29 56 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 154,-0.2 0.475 107.5 105.7 -60.8 147.2 28.2 55.0 26.8 30 57 A G - 0 0 5 152,-2.1 2,-0.3 -2,-0.2 -2,-0.1 -0.924 63.1-103.9-173.1-167.3 28.9 57.6 24.2 31 58 A T > - 0 0 2 -2,-0.3 4,-2.2 150,-0.1 150,-0.2 -0.945 28.0-116.3-141.1 152.7 31.4 58.9 21.6 32 59 A V H > S+ 0 0 0 148,-2.2 4,-2.4 -2,-0.3 5,-0.2 0.910 116.4 52.7 -52.0 -46.5 33.9 61.7 21.4 33 60 A H H > S+ 0 0 3 147,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.930 109.2 47.0 -62.4 -49.1 31.9 63.4 18.6 34 61 A Q H > S+ 0 0 50 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.911 110.8 52.8 -57.2 -43.4 28.6 63.3 20.5 35 62 A D H X S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.920 112.2 46.0 -59.6 -41.3 30.4 64.7 23.7 36 63 A L H ><>S+ 0 0 6 -4,-2.4 5,-2.9 2,-0.2 3,-1.4 0.933 111.9 51.0 -64.1 -49.9 31.7 67.6 21.5 37 64 A I H ><5S+ 0 0 42 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.910 103.3 60.0 -51.4 -46.8 28.2 68.1 19.9 38 65 A S H 3<5S+ 0 0 58 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.686 111.3 39.7 -60.9 -20.1 26.7 68.2 23.3 39 66 A H T <<5S- 0 0 54 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.015 116.0-110.6-116.0 24.1 28.9 71.3 24.2 40 67 A E T < 5S+ 0 0 182 -3,-2.2 -3,-0.2 2,-0.1 -2,-0.1 0.783 82.4 128.6 51.2 34.6 28.6 72.9 20.8 41 68 A L S - 0 0 79 1,-0.2 3,-1.2 -2,-0.1 6,-0.3 -0.340 48.7-151.4 -57.2 110.1 25.7 69.0 13.5 45 72 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.759 92.2 51.1 -59.1 -24.8 27.8 66.5 11.5 46 73 A F T 3 S+ 0 0 16 4,-0.1 2,-0.3 3,-0.1 5,-0.1 0.661 89.4 101.4 -90.1 -16.4 24.8 65.5 9.3 47 74 A Y S X S- 0 0 91 -3,-1.2 3,-2.7 3,-0.1 2,-0.2 -0.522 94.6 -56.9 -75.9 129.7 23.9 69.1 8.3 48 75 A G T 3 S- 0 0 3 495,-2.7 3,-0.2 -2,-0.3 510,-0.1 -0.094 116.3 -16.5 53.2-106.8 24.9 70.5 4.9 49 76 A M T >> S+ 0 0 66 -2,-0.2 3,-0.8 1,-0.1 4,-0.6 0.142 92.2 123.1-123.8 22.8 28.6 70.3 4.4 50 77 A N T <4 + 0 0 23 -3,-2.7 4,-0.5 -6,-0.3 -2,-0.1 0.495 51.6 87.8 -62.2 -5.9 29.6 69.7 8.0 51 78 A E T >4 S+ 0 0 27 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.937 91.7 41.7 -63.3 -51.0 31.4 66.5 7.0 52 79 A K G X4 S+ 0 0 188 -3,-0.8 3,-0.8 1,-0.2 4,-0.3 0.825 109.4 62.5 -62.4 -32.7 34.7 68.1 6.2 53 80 A K G 3< S+ 0 0 107 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.520 105.0 44.6 -69.0 -13.1 34.4 70.4 9.3 54 81 A I G X S+ 0 0 0 -3,-1.2 3,-1.3 -4,-0.5 4,-0.3 0.436 82.3 94.7-113.8 -2.5 34.4 67.5 11.8 55 82 A Q G X + 0 0 41 -3,-0.8 3,-1.4 -4,-0.4 4,-0.3 0.753 67.7 76.8 -64.4 -25.8 37.3 65.4 10.4 56 83 A W G >> S+ 0 0 92 -4,-0.3 3,-1.6 1,-0.3 4,-0.5 0.788 79.8 72.9 -57.5 -26.7 39.9 67.0 12.8 57 84 A V G X4 S+ 0 0 3 -3,-1.3 3,-1.3 1,-0.3 -1,-0.3 0.843 87.7 59.5 -56.5 -39.4 38.5 64.9 15.7 58 85 A E G <4 S+ 0 0 12 -3,-1.4 75,-0.7 1,-0.3 76,-0.5 0.589 100.2 58.9 -72.3 -11.6 40.1 61.6 14.3 59 86 A N G <4 S+ 0 0 88 -3,-1.6 -1,-0.3 -4,-0.3 2,-0.2 0.600 95.9 75.8 -90.4 -13.0 43.6 63.3 14.6 60 87 A E S << S- 0 0 65 -3,-1.3 2,-0.3 -4,-0.5 73,-0.1 -0.559 76.1-127.1 -96.3 158.8 43.4 64.0 18.3 61 88 A D - 0 0 18 -43,-0.2 -43,-2.5 -2,-0.2 2,-0.4 -0.744 27.0-152.1 -95.7 158.0 43.8 61.7 21.3 62 89 A W E -EF 17 129B 4 67,-2.3 67,-3.3 -2,-0.3 2,-0.4 -0.994 7.2-157.6-137.1 135.8 41.0 61.8 23.9 63 90 A E E -EF 16 128B 29 -47,-2.6 -47,-2.2 -2,-0.4 2,-0.4 -0.905 4.7-168.1-117.3 143.8 40.9 61.0 27.6 64 91 A Y E +EF 15 127B 2 63,-2.5 63,-3.3 -2,-0.4 2,-0.3 -0.955 8.8 179.9-124.7 143.3 38.0 60.0 29.8 65 92 A R E +EF 14 126B 81 -51,-2.3 -51,-2.8 -2,-0.4 2,-0.3 -0.995 8.3 170.8-143.8 150.7 37.8 60.0 33.6 66 93 A T E - F 0 125B 5 59,-2.3 59,-2.8 -2,-0.3 2,-0.4 -0.961 17.2-147.3-150.5 157.2 35.3 59.1 36.3 67 94 A S E + F 0 124B 52 -55,-0.3 2,-0.3 -2,-0.3 57,-0.2 -0.950 18.7 177.9-122.2 148.2 35.5 58.7 40.1 68 95 A F E - F 0 123B 15 55,-2.0 55,-2.1 -2,-0.4 2,-0.4 -0.983 24.1-118.4-149.4 158.7 33.4 56.3 42.3 69 96 A I E - F 0 122B 95 -2,-0.3 2,-0.4 53,-0.2 53,-0.2 -0.791 18.6-168.8-101.4 138.6 33.0 55.3 45.9 70 97 A V E - F 0 121B 1 51,-2.2 51,-2.9 -2,-0.4 2,-0.1 -0.995 16.0-140.6-125.1 131.4 33.6 51.9 47.3 71 98 A S > - 0 0 41 -2,-0.4 4,-2.5 49,-0.2 5,-0.2 -0.449 25.6-111.3 -84.1 159.3 32.6 51.0 50.8 72 99 A E H > S+ 0 0 108 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.857 121.2 53.0 -54.2 -36.8 34.4 48.9 53.4 73 100 A E H 4 S+ 0 0 131 2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.880 108.7 47.5 -69.0 -41.8 31.6 46.3 52.9 74 101 A Q H >4 S+ 0 0 25 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.925 108.8 54.4 -62.3 -46.3 31.9 46.2 49.1 75 102 A L H 3< S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.651 102.0 60.6 -62.2 -19.0 35.7 45.8 49.4 76 103 A N T 3< S+ 0 0 126 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.351 78.2 110.3 -91.0 1.0 35.1 42.8 51.6 77 104 A R S < S- 0 0 41 -3,-1.9 115,-0.2 1,-0.1 3,-0.1 -0.412 81.7-115.4 -68.1 157.4 33.2 40.9 48.9 78 105 A D S S+ 0 0 51 113,-0.4 2,-0.3 1,-0.1 114,-0.2 0.904 92.2 16.7 -64.0 -43.8 35.2 37.8 47.6 79 106 A G E -B 191 0A 1 112,-2.5 112,-2.6 115,-0.1 2,-0.3 -0.957 56.7-167.1-132.5 150.4 35.5 39.2 44.1 80 107 A I E -B 190 0A 4 -2,-0.3 34,-3.4 110,-0.2 35,-1.1 -0.956 14.7-173.4-139.7 121.9 35.2 42.5 42.3 81 108 A Q E -BC 189 113A 22 108,-2.7 108,-3.1 -2,-0.3 2,-0.5 -0.907 14.7-153.7-121.4 130.2 35.1 42.6 38.5 82 109 A L E -BC 188 112A 0 30,-3.1 30,-3.5 -2,-0.4 2,-0.5 -0.946 17.8-164.3-102.0 128.9 35.2 45.5 36.1 83 110 A I E -BC 187 111A 27 104,-2.9 104,-2.2 -2,-0.5 2,-0.6 -0.965 13.2-169.2-120.4 124.5 33.5 44.8 32.8 84 111 A F E -BC 186 110A 0 26,-2.8 26,-2.8 -2,-0.5 102,-0.2 -0.943 2.3-170.2-106.4 108.5 33.9 46.9 29.6 85 112 A E S S+ 0 0 59 100,-2.5 2,-0.2 -2,-0.6 -1,-0.1 0.711 74.9 1.6 -69.2 -16.6 31.3 45.7 27.0 86 113 A G - 0 0 0 98,-0.5 98,-1.2 99,-0.3 97,-0.6 -0.810 53.4-177.3-174.3 128.6 33.1 47.9 24.4 87 114 A L E -I 182 0C 0 21,-0.4 2,-0.6 18,-0.4 21,-0.2 -0.999 32.1-126.6-129.2 125.6 36.0 50.3 23.9 88 115 A D E -I 181 0C 4 93,-2.8 93,-2.2 -2,-0.4 2,-0.1 -0.909 64.0 -69.9-112.3 98.3 36.5 52.0 20.6 89 116 A T S S+ 0 0 2 -2,-0.6 2,-1.3 91,-0.2 16,-0.5 -0.614 104.0 31.4-140.5 -54.5 39.4 51.2 20.1 90 117 A Y E +GH 104 130B 12 40,-0.5 40,-2.7 14,-0.2 2,-0.5 -0.688 69.6 164.7 -88.8 92.2 43.0 51.8 21.3 91 118 A A E -GH 103 129B 0 -2,-1.3 12,-3.2 12,-0.7 2,-0.6 -0.951 33.8-156.2-125.6 123.5 42.4 52.4 24.9 92 119 A D E -GH 102 128B 12 36,-2.8 36,-2.7 -2,-0.5 2,-0.6 -0.906 21.8-156.1 -95.5 115.8 44.7 52.4 27.9 93 120 A V E -GH 101 127B 0 8,-2.8 7,-2.6 -2,-0.6 8,-1.1 -0.866 12.6-176.2-103.6 119.3 42.6 51.8 31.0 94 121 A Y E +GH 99 126B 83 32,-3.0 32,-2.6 -2,-0.6 2,-0.4 -0.919 9.2 179.8-117.5 138.7 43.9 53.0 34.4 95 122 A L E > S-GH 98 125B 0 3,-2.5 3,-2.1 -2,-0.4 30,-0.2 -0.940 73.5 -25.1-133.4 116.6 42.5 52.5 37.8 96 123 A N T 3 S- 0 0 18 28,-2.3 29,-0.1 -2,-0.4 3,-0.1 0.904 129.1 -43.1 55.1 42.1 44.1 53.8 41.0 97 124 A G T 3 S+ 0 0 81 27,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.280 115.0 115.2 87.7 -12.3 47.6 53.8 39.4 98 125 A S E < -G 95 0B 42 -3,-2.1 -3,-2.5 19,-0.1 2,-1.0 -0.812 63.5-138.3 -95.9 129.6 47.3 50.4 37.7 99 126 A L E +G 94 0B 78 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.751 29.0 176.3 -74.9 102.7 47.3 49.9 34.0 100 127 A L E - 0 0 35 -7,-2.6 2,-0.3 -2,-1.0 -1,-0.2 0.809 56.9 -2.8 -81.6 -28.3 44.5 47.3 33.9 101 128 A L E -G 93 0B 27 -8,-1.1 -8,-2.8 -3,-0.1 2,-0.7 -0.965 41.5-149.1-168.4 134.8 44.3 46.9 30.1 102 129 A K E -G 92 0B 123 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.1 -0.880 36.7-159.8-109.5 93.7 45.5 48.0 26.7 103 130 A A E +G 91 0B 4 -12,-3.2 -12,-0.7 -2,-0.7 3,-0.1 -0.353 25.3 162.9 -71.9 152.7 42.4 47.5 24.6 104 131 A D E +G 90 0B 54 1,-0.2 59,-0.5 -14,-0.2 2,-0.3 0.175 52.1 71.1-158.4 24.0 42.7 47.2 20.8 105 132 A N B > -j 163 0D 2 -16,-0.5 3,-1.6 -18,-0.2 -18,-0.4 -0.803 53.5-160.3-152.0 108.6 39.5 45.7 19.5 106 133 A M T 3 S+ 0 0 1 57,-2.6 58,-0.1 -2,-0.3 -19,-0.1 0.715 92.6 58.7 -53.7 -27.4 36.2 47.5 19.3 107 134 A F T 3 S+ 0 0 4 56,-0.3 2,-0.4 -21,-0.1 -1,-0.3 0.321 90.4 84.1 -92.3 7.6 34.3 44.2 19.0 108 135 A V < - 0 0 14 -3,-1.6 -21,-0.4 -21,-0.2 2,-0.4 -0.910 64.9-143.1-117.7 138.4 35.5 42.5 22.2 109 136 A G - 0 0 12 -2,-0.4 2,-0.4 -23,-0.1 -24,-0.2 -0.776 19.3-147.9 -94.2 144.4 34.2 42.9 25.8 110 137 A Y E -C 84 0A 33 -26,-2.8 -26,-2.8 -2,-0.4 2,-0.5 -0.930 9.5-164.8-117.0 131.0 36.8 42.9 28.6 111 138 A T E -C 83 0A 83 -2,-0.4 -28,-0.2 -28,-0.2 -2,-0.0 -0.981 16.1-172.1-113.7 123.0 36.3 41.4 32.1 112 139 A L E -C 82 0A 21 -30,-3.5 -30,-3.1 -2,-0.5 2,-0.5 -0.948 23.8-131.7-123.2 128.7 39.0 42.6 34.6 113 140 A P E +C 81 0A 105 0, 0.0 -32,-0.2 0, 0.0 -34,-0.0 -0.669 37.5 159.1 -74.8 124.6 39.6 41.5 38.2 114 141 A V >> + 0 0 0 -34,-3.4 4,-1.5 -2,-0.5 3,-1.5 0.422 34.0 106.3-128.8 0.6 40.0 44.7 40.3 115 142 A K G >4 S+ 0 0 80 -35,-1.1 3,-0.7 1,-0.3 -34,-0.1 0.934 86.1 49.3 -50.5 -47.9 39.4 43.9 44.0 116 143 A S G 34 S+ 0 0 124 1,-0.2 -1,-0.3 -36,-0.1 -2,-0.1 0.700 113.3 47.8 -69.5 -12.4 43.1 44.1 44.9 117 144 A V G <4 S+ 0 0 34 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.617 92.5 93.5 -98.8 -21.3 43.4 47.5 43.1 118 145 A L << - 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0 0 3 -4,-1.7 -1,-0.1 -497,-0.1 -497,-0.0 -0.939 66.4-130.6-142.2 155.5 -8.6 76.0 32.8 1384 572 B A > - 0 0 19 -2,-0.3 3,-2.8 -3,-0.1 4,-0.4 -0.737 43.1 -98.9-101.0 159.0 -6.9 79.2 31.6 1385 573 B P G > S+ 0 0 88 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.771 121.2 63.7 -55.1 -20.5 -4.4 81.1 33.7 1386 574 B E G 3 S+ 0 0 137 1,-0.2 -3,-0.0 2,-0.0 0, 0.0 0.618 97.2 57.8 -75.1 -8.7 -7.1 83.6 34.9 1387 575 B D G < S+ 0 0 35 -3,-2.8 2,-2.7 1,-0.1 5,-0.3 0.457 72.5 119.1 -98.0 -2.5 -9.0 80.7 36.6 1388 576 B Y < + 0 0 35 -3,-1.1 2,-0.3 -4,-0.4 34,-0.3 -0.326 40.1 104.3 -69.6 64.4 -6.1 79.7 38.8 1389 577 B Q S > S- 0 0 97 -2,-2.7 3,-1.8 33,-0.1 6,-0.3 -0.979 77.2-120.6-136.8 148.8 -7.6 80.3 42.3 1390 578 B I T 3 S+ 0 0 14 -2,-0.3 15,-0.1 1,-0.3 -2,-0.0 0.723 112.3 32.1 -66.2 -21.2 -8.7 77.4 44.5 1391 579 B E T 3 S+ 0 0 96 14,-0.1 -1,-0.3 4,-0.1 -3,-0.1 0.028 86.9 131.7-125.7 28.5 -12.3 78.6 44.6 1392 580 B S S <> S- 0 0 15 -3,-1.8 4,-2.1 -5,-0.3 5,-0.2 -0.148 73.9 -99.6 -63.4 172.0 -12.6 80.3 41.2 1393 581 B E H > S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.917 123.5 47.1 -65.1 -44.3 -15.7 79.5 39.1 1394 582 B V H > S+ 0 0 11 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.841 111.6 50.7 -65.8 -36.5 -13.9 76.9 36.9 1395 583 B M H 4 S+ 0 0 0 -8,-0.3 3,-0.4 -6,-0.3 71,-0.2 0.862 111.7 46.4 -72.9 -34.5 -12.2 75.2 39.9 1396 584 B N H >< S+ 0 0 77 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.827 107.8 59.3 -70.2 -32.2 -15.6 74.8 41.7 1397 585 B A H 3< S+ 0 0 18 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.676 108.2 45.3 -62.7 -24.5 -16.9 73.6 38.4 1398 586 B H T 3< S+ 0 0 2 -4,-0.6 68,-3.2 -3,-0.4 2,-0.3 -0.113 101.7 75.7-117.5 32.8 -14.3 70.8 38.5 1399 587 B Q < + 0 0 14 -3,-1.3 -387,-0.1 66,-0.2 68,-0.1 -0.966 50.3 170.9-139.1 129.7 -15.0 69.9 42.2 1400 588 B K + 0 0 47 -389,-0.6 -388,-0.2 66,-0.5 -387,-0.1 0.297 33.9 116.6-129.1 2.8 -18.1 67.9 42.8 1401 589 B S S S- 0 0 17 1,-0.1 4,-0.1 2,-0.1 -389,-0.0 -0.422 72.6-118.3 -76.9 156.1 -18.0 66.8 46.5 1402 590 B S S S+ 0 0 112 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.811 113.0 38.9 -61.3 -30.6 -20.5 67.9 49.3 1403 591 B I S S- 0 0 45 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.998 93.8-172.0-121.6 128.7 -17.4 69.5 51.0 1404 592 B G >> - 0 0 20 -2,-0.4 3,-0.8 -5,-0.1 4,-0.6 0.480 36.1 -37.4-103.4-139.0 -15.0 71.1 48.6 1405 593 B N H >> S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.785 118.3 65.0 -67.8 -27.3 -11.7 72.9 47.7 1406 594 B S H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.823 92.6 62.4 -65.3 -30.7 -11.6 74.8 51.0 1407 595 B L H <> S+ 0 0 3 -3,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.828 97.7 56.8 -66.1 -32.7 -11.2 71.6 53.0 1408 596 B I H X S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.6 0.890 110.0 57.8 -64.6 -40.1 -6.0 70.1 56.2 1412 600 B M H >X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 3,-1.7 0.925 100.6 58.3 -54.7 -45.8 -2.9 71.7 54.5 1413 601 B E H 3< S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.747 97.6 62.2 -53.4 -31.7 -2.7 74.2 57.4 1414 602 B R H << S+ 0 0 54 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.780 123.9 12.1 -68.0 -27.9 -2.4 71.4 59.9 1415 603 B D H << S+ 0 0 24 -3,-1.7 177,-2.2 -4,-0.6 2,-0.3 0.520 123.2 38.7-126.9 -15.9 0.9 70.1 58.4 1416 604 B Y S < S- 0 0 11 -4,-2.5 2,-0.4 175,-0.2 -1,-0.2 -0.951 80.0-101.5-140.8 155.5 2.3 72.6 55.9 1417 605 B I - 0 0 63 -2,-0.3 -4,-0.1 254,-0.1 -3,-0.0 -0.712 48.5-118.5 -76.5 127.0 2.8 76.3 55.5 1418 606 B I - 0 0 47 -2,-0.4 7,-0.1 -5,-0.1 -1,-0.1 -0.629 31.0-130.8 -71.4 118.2 0.1 77.3 53.0 1419 607 B P - 0 0 9 0, 0.0 256,-0.1 0, 0.0 -1,-0.1 -0.218 1.4-134.2 -74.1 158.6 1.8 78.7 49.8 1420 608 B E S S+ 0 0 189 254,-0.5 2,-0.2 4,-0.0 255,-0.1 0.895 82.1 68.4 -74.0 -45.9 0.8 82.0 48.2 1421 609 B S S > S- 0 0 42 253,-0.2 4,-2.8 1,-0.1 5,-0.1 -0.530 77.7-131.3 -83.5 143.1 0.6 80.9 44.6 1422 610 B F H > S+ 0 0 16 -34,-0.3 4,-2.6 2,-0.2 5,-0.2 0.910 109.9 54.8 -49.1 -49.9 -1.9 78.6 43.1 1423 611 B E H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.881 111.3 43.6 -56.2 -45.1 0.9 76.5 41.4 1424 612 B D H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.874 111.5 54.6 -68.0 -41.1 2.7 76.0 44.8 1425 613 B F H X S+ 0 0 5 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.922 108.9 48.3 -54.7 -46.2 -0.7 75.3 46.5 1426 614 B V H X S+ 0 0 3 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.906 111.8 50.2 -63.6 -43.6 -1.3 72.5 43.9 1427 615 B Y H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.941 114.4 42.7 -61.2 -46.8 2.2 71.1 44.4 1428 616 B V H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.862 109.2 58.6 -70.1 -36.9 1.8 71.0 48.2 1429 617 B G H X S+ 0 0 5 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.871 105.5 50.5 -59.7 -35.0 -1.7 69.6 48.0 1430 618 B L H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.929 111.9 47.3 -63.6 -45.7 -0.3 66.6 46.0 1431 619 B V H X S+ 0 0 2 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.930 111.9 51.1 -59.9 -43.8 2.3 66.0 48.7 1432 620 B L H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 5,-0.4 0.920 109.8 47.1 -61.9 -52.1 -0.3 66.4 51.5 1433 621 B Q H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.921 115.2 48.8 -59.3 -42.8 -2.7 63.8 49.9 1434 622 B G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.942 116.2 40.1 -60.3 -52.0 0.3 61.4 49.4 1435 623 B Q H X S+ 0 0 50 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.906 117.5 47.7 -68.7 -42.8 1.7 61.7 53.0 1436 624 B G H X S+ 0 0 7 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.2 0.947 116.4 42.6 -66.3 -46.8 -1.7 61.7 54.8 1437 625 B M H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.4 3,-0.3 0.899 110.5 54.8 -68.7 -37.4 -3.0 58.7 52.9 1438 626 B R H X S+ 0 0 40 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.876 102.1 60.4 -62.1 -36.0 0.2 56.7 53.1 1439 627 B H H X S+ 0 0 40 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.896 108.4 43.9 -57.5 -36.9 -0.0 57.2 56.9 1440 628 B G H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.940 110.2 53.0 -75.4 -44.7 -3.3 55.3 56.7 1441 629 B L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.890 111.1 48.7 -53.9 -42.9 -2.1 52.6 54.4 1442 630 B E H X S+ 0 0 19 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.890 108.2 53.6 -64.4 -45.2 0.8 51.9 56.8 1443 631 B A H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.867 108.4 50.6 -56.4 -39.5 -1.6 51.8 59.8 1444 632 B H H < S+ 0 0 0 -4,-2.1 7,-0.3 2,-0.2 -2,-0.2 0.955 114.9 41.3 -66.0 -49.6 -3.8 49.2 58.2 1445 633 B R H >< S+ 0 0 2 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.894 112.3 55.8 -60.5 -44.3 -0.8 46.9 57.3 1446 634 B R H 3< S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.854 105.1 54.8 -60.5 -33.7 0.8 47.5 60.7 1447 635 B N T 3X S+ 0 0 47 -4,-1.5 4,-2.7 -5,-0.2 3,-0.4 0.085 85.5 162.0 -94.9 25.8 -2.4 46.3 62.4 1448 636 B R T <4 + 0 0 30 -3,-1.5 99,-0.4 1,-0.3 4,-0.1 -0.673 58.2 29.4 -74.4 136.8 -2.6 42.9 60.7 1449 637 B P T 4 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.989 122.1 51.6 -95.8 -5.1 -4.3 40.6 61.6 1450 638 B Y T 4 S+ 0 0 65 -3,-0.4 2,-0.4 1,-0.1 -2,-0.2 0.954 121.8 38.7 -49.4 -51.4 -6.9 42.9 63.2 1451 639 B C < - 0 0 0 -4,-2.7 -87,-0.2 -7,-0.3 -88,-0.2 -0.853 69.4-179.4 -96.6 136.0 -7.0 44.6 59.9 1452 640 B M + 0 0 11 -89,-2.6 -283,-2.1 -2,-0.4 -292,-0.3 0.257 57.9 5.1-124.2 12.9 -6.8 42.4 56.8 1453 641 B G E -n 1169 0f 0 -285,-0.3 -88,-2.9 -91,-0.2 2,-0.3 -0.923 46.4-151.8 177.8 160.6 -6.9 44.8 53.9 1454 642 B T E +nt11701365f 0 -285,-2.4 -283,-2.1 -2,-0.3 2,-0.5 -0.944 9.4 177.0-146.9 121.8 -7.0 48.3 52.5 1455 643 B L E -n 1171 0f 0 -90,-2.9 -283,-0.3 -2,-0.3 -87,-0.3 -0.929 25.9-146.4-118.4 105.2 -8.5 49.6 49.3 1456 644 B Y E -n 1172 0f 0 -285,-2.0 -283,-2.4 -2,-0.5 2,-0.6 -0.334 24.4 -94.0 -71.5 155.3 -8.2 53.3 49.0 1457 645 B W S S+ 0 0 10 -89,-3.5 -87,-0.5 1,-0.2 -283,-0.1 -0.952 92.7 12.2-102.4 115.7 -10.8 55.6 47.4 1458 646 B Q + 0 0 0 -2,-0.6 12,-1.0 -285,-0.5 -1,-0.2 0.686 39.5 177.4-139.6 163.9 -9.9 56.1 44.5 1459 647 B L S S+ 0 0 0 -286,-3.5 12,-1.4 10,-0.2 11,-1.0 0.953 76.1 4.9 -67.4 -47.6 -7.5 54.7 41.8 1460 648 B N - 0 0 6 -287,-0.5 2,-0.3 9,-0.2 12,-0.1 -0.694 59.6-116.9-144.1 173.4 -8.5 56.9 38.9 1461 649 B D - 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