==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-NOV-09 2WZE . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE Y; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR S.NAJMUDIN,B.A.PINHEIRO,M.J.ROMAO,J.A.M.PRATES,C.M.G.A.FONTE . 1028 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 698 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 73 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 6 0 0 2 2 0 4 0 0 0 2 0 0 0 1 1 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 8 4 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 . 7 0 6 3 3 2 1 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 2 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 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 32 A X 0 0 69 0, 0.0 148,-0.3 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0 67.2 109.9 70.2 42.0 2 33 A D + 0 0 139 148,-0.1 147,-0.4 145,-0.1 0, 0.0 1.000 360.0 65.2 -61.1 -82.1 113.5 71.7 42.0 3 34 A Y - 0 0 150 147,-0.8 145,-2.2 144,-0.1 2,-0.6 -0.135 65.9-145.5 -57.6 137.4 115.9 69.5 40.0 4 35 A E E +A 147 0A 102 143,-0.2 143,-0.2 1,-0.2 3,-0.1 -0.897 19.9 175.6-100.8 122.2 115.5 69.0 36.3 5 36 A V E + 0 0 33 141,-2.7 2,-0.4 -2,-0.6 142,-0.2 0.801 66.8 26.1 -99.7 -30.6 116.6 65.5 35.3 6 37 A V E +A 146 0A 7 140,-1.6 140,-1.8 2,-0.0 -1,-0.3 -0.986 53.7 168.1-129.5 144.0 115.7 65.5 31.6 7 38 A H E -A 145 0A 90 -2,-0.4 2,-0.7 138,-0.2 138,-0.2 -0.573 9.7-176.8-149.8 87.6 115.5 68.3 29.2 8 39 A D E +A 144 0A 3 136,-1.7 136,-1.5 -2,-0.1 2,-0.1 -0.741 13.7 162.0 -92.4 120.1 115.2 67.3 25.6 9 40 A T - 0 0 39 -2,-0.7 2,-2.5 134,-0.2 29,-0.2 -0.465 37.7-139.7-131.9 59.5 115.2 70.2 23.2 10 41 A F + 0 0 0 1,-0.2 -2,-0.1 -2,-0.1 29,-0.0 0.139 57.2 132.3 -26.8 49.1 116.1 68.5 19.9 11 42 A E S S+ 0 0 76 -2,-2.5 -1,-0.2 27,-0.1 28,-0.1 0.828 87.5 1.7 -73.3 -32.0 118.5 71.2 18.6 12 43 A V S S+ 0 0 79 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.750 128.6 23.7-119.1 -58.9 121.3 68.9 17.6 13 44 A N S S- 0 0 9 274,-0.1 -1,-0.2 275,-0.1 274,-0.2 -0.567 77.5-104.8-115.0 170.4 120.4 65.2 18.3 14 45 A F > - 0 0 3 272,-2.8 3,-2.4 -2,-0.2 273,-0.1 0.339 48.3-137.5 -77.7 3.6 117.3 63.0 18.6 15 46 A D T 3 - 0 0 10 1,-0.3 -1,-0.1 271,-0.2 272,-0.1 0.739 64.1 -54.0 47.6 36.4 117.9 62.9 22.5 16 47 A G T 3 S+ 0 0 2 1,-0.3 2,-0.4 270,-0.2 39,-0.4 0.689 96.6 144.6 80.3 15.6 117.1 59.2 22.8 17 48 A W < - 0 0 0 -3,-2.4 2,-0.3 37,-0.1 -1,-0.3 -0.801 25.1-173.2 -96.5 136.6 113.7 59.3 21.2 18 49 A C E -F 53 0B 3 35,-3.3 35,-2.5 -2,-0.4 2,-0.4 -0.804 31.0 -97.9-120.8 157.0 112.5 56.4 19.1 19 50 A N E -F 52 0B 31 -2,-0.3 2,-0.7 33,-0.2 33,-0.3 -0.634 30.6-143.4 -74.3 125.9 109.6 55.5 16.8 20 51 A L E S+F 51 0B 55 31,-3.3 31,-2.4 -2,-0.4 4,-0.1 -0.853 78.1 36.8 -88.1 115.8 106.9 53.5 18.6 21 52 A G S > S- 0 0 23 -2,-0.7 3,-0.7 29,-0.2 30,-0.1 0.250 94.6-102.9 106.3 128.1 105.7 51.1 16.0 22 53 A V T 3 S+ 0 0 80 1,-0.3 -1,-0.1 3,-0.0 -3,-0.1 0.665 119.2 37.2 -61.1 -18.2 107.8 49.5 13.3 23 54 A D T 3 S+ 0 0 76 -3,-0.1 -1,-0.3 21,-0.1 -2,-0.1 0.648 85.7 110.8-112.7 -16.2 106.7 51.8 10.6 24 55 A T < - 0 0 4 -3,-0.7 2,-0.4 -4,-0.1 20,-0.2 -0.269 59.1-144.0 -51.4 141.4 106.3 55.1 12.4 25 56 A Y E -B 43 0A 98 18,-2.2 18,-2.8 -7,-0.1 2,-0.5 -0.964 9.2-157.3-118.6 130.6 108.9 57.6 11.3 26 57 A L E +B 42 0A 7 -2,-0.4 2,-0.4 16,-0.2 16,-0.2 -0.910 17.4 170.4-101.8 130.1 110.8 60.3 13.5 27 58 A T E -B 41 0A 37 14,-2.4 14,-3.0 -2,-0.5 2,-0.6 -0.966 25.1-143.0-142.2 129.1 112.3 63.3 11.8 28 59 A A E -B 40 0A 13 -2,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.788 24.8-169.1 -91.6 120.7 113.7 66.4 13.5 29 60 A V E > -B 39 0A 42 10,-1.9 10,-1.8 -2,-0.6 3,-1.0 -0.961 21.4-117.9-123.1 128.5 113.0 69.6 11.6 30 61 A E T 3 S+ 0 0 119 -2,-0.4 2,-0.3 1,-0.2 8,-0.2 -0.145 95.2 6.2 -49.1 144.3 114.3 73.1 11.9 31 62 A N T 3 S+ 0 0 115 5,-0.5 -1,-0.2 1,-0.2 5,-0.2 0.227 104.9 92.5 58.6 -12.6 111.8 75.9 12.8 32 63 A E < + 0 0 89 -3,-1.0 6,-0.2 -2,-0.3 -1,-0.2 0.497 69.6 99.5 -86.3 2.9 109.0 73.4 13.3 33 64 A G S > S- 0 0 0 4,-2.9 3,-1.5 -4,-0.3 4,-0.3 -0.393 92.4 -74.4 -81.4 160.0 109.9 73.3 17.0 34 65 A N G > S+ 0 0 9 1,-0.3 3,-1.7 4,-0.2 -1,-0.2 -0.206 121.6 13.4 -44.2 139.7 108.3 75.1 19.9 35 66 A N G 3 S- 0 0 136 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.789 136.1 -62.7 56.7 31.1 109.3 78.9 19.8 36 67 A G G < S+ 0 0 47 -3,-1.5 -5,-0.5 -5,-0.2 -1,-0.3 0.508 108.3 127.6 75.7 4.4 110.6 78.6 16.2 37 68 A T S < S- 0 0 42 -3,-1.7 -4,-2.9 -4,-0.3 2,-0.3 -0.028 73.0 -68.7 -81.7-174.0 113.3 76.1 17.4 38 69 A R - 0 0 31 -8,-0.2 2,-0.3 -29,-0.2 -8,-0.2 -0.622 59.9-170.8 -78.1 140.3 114.1 72.6 16.1 39 70 A G E -B 29 0A 0 -10,-1.8 -10,-1.9 -2,-0.3 2,-0.7 -0.809 24.0-115.0-132.3 166.9 111.3 70.1 16.8 40 71 A X E -BC 28 141A 0 101,-2.8 101,-2.5 -2,-0.3 2,-0.3 -0.912 26.9-159.3-116.7 114.9 110.6 66.4 16.5 41 72 A X E -BC 27 140A 57 -14,-3.0 -14,-2.4 -2,-0.7 2,-0.5 -0.694 3.2-159.2 -96.5 138.4 108.0 65.3 14.1 42 73 A V E +BC 26 139A 0 97,-3.0 97,-2.0 -2,-0.3 2,-0.2 -0.971 24.8 166.8-119.1 118.3 106.3 61.9 14.3 43 74 A I E +B 25 0A 48 -18,-2.8 -18,-2.2 -2,-0.5 8,-0.1 -0.728 41.3 37.9-127.7 172.5 104.8 60.7 11.1 44 75 A N + 0 0 93 -2,-0.2 -1,-0.1 -20,-0.2 93,-0.1 0.695 65.9 166.5 63.4 23.3 103.3 57.6 9.4 45 76 A R - 0 0 13 91,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.296 20.9-172.0 -63.3 155.1 101.4 56.2 12.4 46 77 A S + 0 0 85 1,-0.3 2,-0.2 89,-0.1 -1,-0.1 0.161 65.0 27.4-138.6 19.3 98.8 53.4 11.8 47 78 A S S > S- 0 0 44 88,-0.1 3,-2.3 90,-0.1 -1,-0.3 -0.856 82.2-105.1-172.6 149.8 97.1 53.0 15.2 48 79 A A T 3 S+ 0 0 40 1,-0.3 85,-0.4 -2,-0.2 87,-0.2 0.687 121.3 56.1 -49.8 -19.3 96.4 55.0 18.3 49 80 A S T 3 S+ 0 0 78 83,-0.1 -1,-0.3 85,-0.1 85,-0.1 0.699 87.3 92.8 -89.6 -21.7 99.2 53.1 20.0 50 81 A D < + 0 0 20 -3,-2.3 83,-0.5 1,-0.1 2,-0.3 -0.280 55.3 94.4 -61.1 157.8 101.9 54.0 17.4 51 82 A G E S-F 20 0B 0 -31,-2.4 -31,-3.3 81,-0.1 2,-0.3 -0.961 71.6 -43.7 156.5-143.1 103.9 57.1 18.3 52 83 A A E +FG 19 131B 0 79,-1.9 79,-2.2 -2,-0.3 2,-0.3 -0.982 44.4 176.8-134.3 150.3 107.2 58.0 19.9 53 84 A Y E -FG 18 130B 44 -35,-2.5 -35,-3.3 -2,-0.3 2,-0.3 -0.955 14.0-160.3-143.5 163.4 109.1 56.8 23.1 54 85 A S E - G 0 129B 0 75,-2.3 75,-2.0 -2,-0.3 2,-0.5 -0.924 19.2-137.0-152.3 118.4 112.3 57.2 25.0 55 86 A E E + G 0 128B 51 -39,-0.4 73,-0.3 -2,-0.3 3,-0.2 -0.629 24.1 178.9 -66.5 117.9 113.8 54.9 27.7 56 87 A K >> + 0 0 2 71,-3.2 3,-2.8 -2,-0.5 4,-1.6 0.045 33.1 130.1-118.2 32.0 115.0 57.2 30.4 57 88 A G T 34 + 0 0 2 1,-0.3 -1,-0.1 2,-0.2 123,-0.1 0.774 68.0 64.4 -55.3 -34.6 116.4 54.6 32.9 58 89 A F T 34 S+ 0 0 2 -3,-0.2 -1,-0.3 1,-0.2 120,-0.1 0.757 116.6 26.6 -49.5 -31.2 119.5 56.5 33.1 59 90 A Y T <4 S+ 0 0 34 -3,-2.8 2,-0.5 68,-0.2 -2,-0.2 0.657 109.3 66.8-116.8 -20.0 117.6 59.4 34.7 60 91 A L < - 0 0 6 -4,-1.6 67,-0.4 67,-0.1 2,-0.3 -0.944 58.9-159.5-119.5 120.7 114.5 58.1 36.4 61 92 A D > - 0 0 69 -2,-0.5 3,-1.1 1,-0.1 59,-0.3 -0.691 26.0-106.3 -92.1 149.7 114.3 55.9 39.6 62 93 A G T 3 S+ 0 0 19 62,-0.7 60,-0.3 60,-0.3 3,-0.1 -0.297 104.5 28.1 -61.5 149.2 111.5 53.7 40.9 63 94 A G T 3 S+ 0 0 30 57,-3.8 2,-0.4 1,-0.2 -1,-0.2 0.331 97.5 112.4 76.7 -7.6 109.7 55.0 43.9 64 95 A V < - 0 0 44 -3,-1.1 56,-0.8 57,-0.2 2,-0.4 -0.815 63.1-132.6 -97.1 138.6 110.4 58.6 43.0 65 96 A E E -D 119 0A 71 -2,-0.4 2,-0.3 54,-0.2 54,-0.3 -0.742 28.3-178.5 -83.8 132.8 107.8 61.2 41.9 66 97 A Y E -D 118 0A 2 52,-1.7 52,-2.6 -2,-0.4 2,-0.6 -0.943 29.6-129.6-130.6 152.1 108.4 63.3 38.7 67 98 A K E -DE 117 147A 79 80,-2.1 80,-2.4 -2,-0.3 2,-0.5 -0.926 28.0-161.7 -96.7 120.2 106.7 66.0 36.8 68 99 A Y E +DE 116 146A 1 48,-3.1 48,-2.1 -2,-0.6 2,-0.3 -0.927 14.5 174.4-104.9 134.7 106.7 64.9 33.2 69 100 A S E +DE 115 145A 5 76,-1.7 76,-3.0 -2,-0.5 2,-0.4 -0.979 9.8 170.9-150.1 126.2 106.1 67.7 30.7 70 101 A V E -D 114 0A 0 44,-2.4 44,-2.9 -2,-0.3 2,-0.5 -0.991 25.7-137.6-136.1 139.1 106.1 67.9 26.8 71 102 A F E -DE 113 142A 60 71,-2.0 71,-2.2 -2,-0.4 2,-0.3 -0.875 32.4-178.4 -94.5 127.5 105.0 70.6 24.4 72 103 A V E -DE 112 141A 0 40,-3.0 40,-3.0 -2,-0.5 2,-0.3 -0.868 15.6-177.1-126.0 163.6 103.1 69.2 21.5 73 104 A K E - E 0 140A 40 67,-2.1 67,-2.2 -2,-0.3 2,-0.3 -0.955 2.3-173.2-156.9 136.2 101.5 70.5 18.3 74 105 A H - 0 0 0 33,-0.4 35,-2.0 -2,-0.3 36,-0.3 -0.962 19.2-144.2-131.2 154.9 99.5 68.8 15.5 75 106 A N + 0 0 109 -2,-0.3 33,-0.1 63,-0.3 64,-0.1 -0.372 62.0 99.8-117.0 52.6 98.2 70.1 12.2 76 107 A G S S- 0 0 40 2,-0.2 2,-0.4 -2,-0.1 4,-0.1 0.086 78.1 -75.8-101.1-143.5 94.8 68.5 11.7 77 108 A T S S- 0 0 135 2,-0.1 -2,-0.0 31,-0.1 -1,-0.0 -0.987 85.3 -13.3-125.1 137.9 91.3 69.7 12.3 78 109 A G S S- 0 0 45 -2,-0.4 30,-0.2 2,-0.0 -2,-0.2 -0.143 103.7 -22.6 69.7-168.1 89.7 70.0 15.7 79 110 A T - 0 0 78 28,-0.2 2,-0.4 26,-0.1 28,-0.2 -0.516 50.8-160.9 -80.8 141.6 90.9 68.6 19.0 80 111 A E E -H 106 0B 29 26,-2.2 26,-2.7 -2,-0.2 2,-0.8 -0.959 20.8-126.6-115.5 138.9 93.2 65.6 19.4 81 112 A T E -H 105 0B 32 -2,-0.4 53,-1.1 24,-0.2 2,-0.3 -0.780 27.1-158.9 -89.9 112.5 93.5 63.6 22.6 82 113 A F E -HI 104 133B 0 22,-2.3 22,-3.0 -2,-0.8 2,-0.4 -0.696 5.1-163.8 -89.1 143.4 97.1 63.5 23.7 83 114 A K E -HI 103 132B 48 49,-2.8 49,-2.4 -2,-0.3 2,-0.5 -0.996 11.0-162.7-127.0 128.1 98.4 60.8 26.0 84 115 A L E -HI 102 131B 0 18,-2.6 17,-2.1 -2,-0.4 18,-1.6 -0.947 23.0-173.3 -98.0 131.7 101.6 60.8 28.0 85 116 A S E -HI 100 130B 3 45,-2.5 45,-2.6 -2,-0.5 2,-0.5 -0.981 16.7-152.0-129.8 144.2 102.3 57.2 29.1 86 117 A V E -HI 99 129B 0 13,-1.9 13,-1.8 -2,-0.4 2,-0.4 -0.956 14.0-173.3-115.0 131.2 104.9 55.8 31.4 87 118 A S E +HI 98 128B 9 41,-2.2 41,-3.1 -2,-0.5 2,-0.3 -0.945 9.1 163.9-117.1 143.1 106.1 52.2 31.0 88 119 A Y E -H 97 0B 13 9,-1.7 9,-1.1 -2,-0.4 2,-0.4 -0.855 34.1-120.8-136.4-178.4 108.4 50.2 33.2 89 120 A L E -HI 96 125B 38 36,-2.1 36,-1.7 -2,-0.3 2,-0.6 -1.000 28.7-124.5-123.0 131.0 109.3 46.7 33.7 90 121 A D E > - 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0 0 69 -2,-0.4 3,-1.0 -28,-0.2 -33,-0.4 -0.411 36.0 -94.2 -82.5 155.0 93.6 72.2 19.4 108 139 A A T 3 S+ 0 0 34 -30,-0.2 -33,-0.2 1,-0.2 -1,-0.1 -0.211 102.0 17.8 -66.8 160.0 95.2 72.3 15.9 109 140 A G T 3 S+ 0 0 36 -35,-2.0 2,-0.5 1,-0.1 -1,-0.2 0.333 100.4 106.1 70.1 -8.6 98.0 74.8 15.1 110 141 A E < - 0 0 122 -3,-1.0 2,-0.4 -36,-0.3 -36,-0.2 -0.911 68.3-130.1-118.4 123.7 98.9 75.5 18.7 111 142 A W - 0 0 60 -2,-0.5 2,-0.3 -38,-0.1 -38,-0.2 -0.488 39.8-177.1 -56.5 116.0 102.0 74.4 20.8 112 143 A T E -D 72 0A 32 -40,-3.0 -40,-3.0 -2,-0.4 2,-0.4 -0.945 24.2-125.2-124.4 144.5 100.4 73.1 24.1 113 144 A E E -D 71 0A 80 -2,-0.3 2,-0.5 -42,-0.2 -42,-0.2 -0.727 20.1-171.2 -85.8 130.2 101.9 71.7 27.3 114 145 A I E +D 70 0A 2 -44,-2.9 -44,-2.4 -2,-0.4 2,-0.3 -0.994 22.4 154.5-120.0 128.6 100.9 68.3 28.5 115 146 A S E +D 69 0A 45 -2,-0.5 2,-0.3 -46,-0.2 -46,-0.2 -0.996 16.7 166.0-154.9 152.4 102.1 67.4 32.0 116 147 A A E -D 68 0A 22 -48,-2.1 -48,-3.1 -2,-0.3 2,-0.4 -0.976 34.6-111.2-161.1 158.0 101.6 65.3 35.2 117 148 A K E +D 67 0A 128 -2,-0.3 2,-0.3 -50,-0.2 -50,-0.2 -0.810 39.7 175.4 -88.4 130.6 103.2 64.1 38.4 118 149 A Y E -D 66 0A 38 -52,-2.6 -52,-1.7 -2,-0.4 2,-0.6 -0.964 21.2-165.7-146.1 131.2 104.0 60.3 38.5 119 150 A K E -D 65 0A 134 -2,-0.3 -54,-0.2 -54,-0.3 3,-0.1 -0.926 17.9-152.0-115.3 104.1 105.7 58.0 41.0 120 151 A A - 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0 0 65 -57,-0.4 -55,-2.9 -2,-0.3 2,-1.6 -0.751 24.1-174.2 -88.8 92.6 114.1 10.3 45.0 810 329 B L E +j 754 0L 12 -2,-1.2 -55,-0.2 -57,-0.2 -57,-0.1 -0.718 12.4 169.4 -85.1 87.4 116.1 13.0 46.7 811 330 B Y E + 0 0 21 -2,-1.6 60,-2.2 -57,-0.8 2,-0.3 0.641 55.6 9.0 -87.6 -11.5 119.3 10.9 46.7 812 331 B A E -jk 755 871L 0 -58,-0.9 -56,-3.4 58,-0.3 2,-0.4 -0.996 55.5-156.5-157.7 160.7 121.8 13.6 47.8 813 332 B Y E -jk 756 872L 0 58,-2.3 60,-3.3 -2,-0.3 2,-1.3 -0.985 22.0-135.5-144.2 132.5 122.1 17.1 49.0 814 333 B D E +jk 757 873L 0 -58,-3.3 -55,-2.0 -2,-0.4 -56,-0.6 -0.751 31.8 179.1 -77.5 96.6 124.9 19.7 48.8 815 334 B V E + 0 0 0 58,-2.1 -55,-0.8 -2,-1.3 2,-0.4 0.933 69.6 15.8 -73.8 -45.9 124.4 20.7 52.5 816 335 B V E S-jk 760 874L 1 57,-1.0 59,-2.0 -3,-0.2 2,-0.4 -0.996 78.3-159.9-128.1 139.1 127.3 23.2 52.4 817 336 B N E - k 0 875L 3 -57,-3.1 -55,-0.4 -2,-0.4 59,-0.2 -0.943 58.6 -19.6-122.5 133.7 128.8 24.6 49.2 818 337 B A S S+ 0 0 2 57,-2.9 -56,-0.2 -2,-0.4 -1,-0.1 0.782 72.8 146.0 49.8 45.2 132.2 26.2 48.4 819 338 B A + 0 0 7 56,-0.3 15,-0.5 -3,-0.1 2,-0.5 0.531 43.0 91.5 -92.4 -7.6 133.0 27.4 52.0 820 339 B V B S-Q 833 0O 0 13,-0.1 13,-0.2 1,-0.0 12,-0.1 -0.776 79.9-119.7 -93.4 132.2 136.8 26.9 51.6 821 340 B S - 0 0 11 11,-2.3 -2,-0.1 -2,-0.5 6,-0.1 -0.321 3.0-144.4 -67.4 148.2 138.8 29.9 50.5 822 341 B D S S+ 0 0 24 4,-0.0 2,-0.6 -389,-0.0 -1,-0.1 0.618 77.8 98.0 -78.1 -18.2 140.8 29.9 47.3 823 342 B D >> - 0 0 63 1,-0.1 4,-1.8 9,-0.1 3,-1.4 -0.599 69.4-148.0 -81.1 120.1 143.3 32.1 49.1 824 343 B A H 3> S+ 0 0 50 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.805 97.8 57.3 -54.8 -32.2 146.3 30.2 50.5 825 344 B N H 3> S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.779 106.6 50.8 -68.1 -29.0 146.7 32.6 53.4 826 345 B R H <> S+ 0 0 24 -3,-1.4 6,-2.9 2,-0.2 4,-1.7 0.902 113.6 42.1 -75.4 -36.5 143.1 31.8 54.4 827 346 B T H < S+ 0 0 23 -4,-1.8 4,-0.3 4,-0.2 -2,-0.2 0.887 120.3 46.3 -74.5 -34.9 143.7 28.0 54.3 828 347 B R H < S+ 0 0 193 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.944 130.8 13.3 -72.4 -42.1 147.0 28.5 56.0 829 348 B Y H < S+ 0 0 139 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.525 128.1 43.4-117.3 -10.6 146.0 30.9 58.9 830 349 B Y S >< S- 0 0 132 -4,-1.7 3,-2.0 -5,-0.3 -1,-0.1 0.028 106.2-105.0-128.6 21.9 142.3 31.1 59.1 831 350 B G T 3 S- 0 0 53 -4,-0.3 -4,-0.2 1,-0.3 -3,-0.1 0.669 74.8 -61.9 66.3 13.4 141.3 27.5 58.8 832 351 B G T 3 S+ 0 0 0 -6,-2.9 -11,-2.3 1,-0.3 -1,-0.3 0.406 91.8 152.2 93.2 -5.1 140.0 27.9 55.2 833 352 B A B < -Q 820 0O 2 -3,-2.0 -1,-0.3 -7,-0.5 -13,-0.1 -0.379 44.2-124.9 -68.0 136.1 137.4 30.4 56.2 834 353 B R - 0 0 17 -15,-0.5 8,-0.1 1,-0.1 -1,-0.1 -0.206 43.8 -79.9 -62.7 163.3 136.4 32.9 53.5 835 354 B E - 0 0 90 6,-0.3 8,-2.9 1,-0.1 12,-0.2 -0.541 53.7-107.9 -68.7 137.2 136.6 36.6 54.4 836 355 B P B S+r 843 0P 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.420 75.6 71.1 -67.5 140.0 133.6 37.7 56.5 837 356 B G S S- 0 0 3 6,-1.5 2,-0.4 5,-0.1 10,-0.3 -0.932 78.7 -74.7 150.6-165.1 131.1 40.0 54.6 838 357 B Y S S+ 0 0 87 -2,-0.3 5,-0.2 5,-0.1 -75,-0.1 -0.986 83.3 1.6-132.8 129.4 128.5 39.9 51.9 839 358 B G B > S+S 842 0Q 26 3,-0.6 3,-2.2 -2,-0.4 -76,-0.0 -0.031 94.6 62.9 89.6 160.5 129.1 39.7 48.1 840 359 B N T 3 S- 0 0 73 1,-0.3 3,-0.1 -3,-0.0 -77,-0.0 0.835 129.9 -50.4 58.3 33.2 132.3 39.4 46.1 841 360 B G T 3 S+ 0 0 35 1,-0.3 -6,-0.3 -79,-0.1 -1,-0.3 0.395 108.5 123.2 90.4 -12.5 133.5 36.1 47.4 842 361 B R B < -S 839 0Q 119 -3,-2.2 -3,-0.6 -8,-0.1 -1,-0.3 -0.389 57.6-122.5 -82.1 168.6 133.1 37.1 51.1 843 362 B S B > -r 836 0P 4 -8,-2.9 4,-2.3 -5,-0.2 -6,-1.5 -0.924 19.5-166.3-126.6 120.3 130.8 35.1 53.4 844 363 B P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.812 98.3 60.1 -69.3 -25.5 127.8 36.2 55.5 845 364 B W H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 6,-0.2 0.943 107.5 41.8 -61.5 -49.0 128.3 32.8 57.3 846 365 B V H > S+ 0 0 3 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.884 110.3 60.4 -68.0 -33.9 131.8 33.7 58.4 847 366 B Q H < S+ 0 0 72 -4,-2.3 -1,-0.2 -10,-0.3 -2,-0.2 0.921 114.5 34.1 -56.4 -46.0 130.5 37.2 59.2 848 367 B I H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.905 129.4 34.0 -76.2 -44.5 128.0 35.8 61.7 849 368 B Y H < S- 0 0 3 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.612 92.5-129.0 -95.3 -15.0 130.1 32.9 63.0 850 369 B G S < S- 0 0 60 -4,-3.2 2,-0.2 -5,-0.2 -4,-0.1 -0.005 80.6 -0.4 93.9 -30.4 133.7 34.1 62.9 851 370 B D S > S- 0 0 67 -6,-0.2 3,-0.6 -16,-0.1 -2,-0.2 -0.812 106.2 -53.9-165.9-156.2 135.0 31.1 61.0 852 371 B N T > S+ 0 0 25 1,-0.2 3,-2.1 -2,-0.2 4,-0.5 0.227 88.4 114.6 -90.5 20.4 133.8 27.8 59.5 853 372 B K T 3> + 0 0 83 1,-0.3 4,-0.9 2,-0.2 3,-0.4 0.745 66.1 68.5 -61.6 -21.8 132.2 26.5 62.7 854 373 B F H <> S+ 0 0 4 -3,-0.6 4,-2.7 1,-0.2 -1,-0.3 0.644 82.3 75.0 -73.7 -16.0 128.8 26.7 60.9 855 374 B I H <> S+ 0 0 5 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.950 98.0 43.6 -62.0 -46.8 129.7 23.8 58.6 856 375 B E H > S+ 0 0 73 -4,-0.5 4,-2.3 -3,-0.4 -1,-0.2 0.848 112.0 54.6 -72.6 -29.9 129.3 21.2 61.3 857 376 B K H X S+ 0 0 60 -4,-0.9 4,-2.8 2,-0.2 5,-0.3 0.971 106.2 51.7 -63.2 -50.1 126.1 22.9 62.5 858 377 B A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.909 112.3 45.7 -51.1 -46.1 124.6 22.8 59.0 859 378 B F H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.905 109.6 55.4 -71.7 -36.7 125.4 19.0 58.7 860 379 B T H X S+ 0 0 62 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.953 111.8 42.8 -57.0 -49.2 124.1 18.3 62.2 861 380 B Y H X S+ 0 0 37 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.879 114.5 50.2 -63.5 -36.4 120.7 19.9 61.3 862 381 B A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.912 106.4 55.4 -71.8 -35.5 120.6 18.2 57.9 863 382 B R H < S+ 0 0 84 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.917 108.3 51.4 -64.3 -32.5 121.3 14.9 59.5 864 383 B K H < S+ 0 0 142 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.887 123.3 24.2 -70.2 -37.4 118.3 15.5 61.7 865 384 B Y H < S+ 0 0 56 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.621 92.8 102.3-110.1 -11.4 115.8 16.3 59.0 866 385 B A S < S- 0 0 18 -4,-2.8 6,-0.0 -5,-0.2 -71,-0.0 -0.429 81.5-100.4 -75.2 144.8 117.0 14.7 55.7 867 386 B P > - 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