==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-99 1C5I . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR M.D.JOSHI,G.SIDHU,I.POT,G.D.BRAYER,S.G.WITHERS,L.P.MCINTOSH . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 47.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 24 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 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 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 3 1 3 1 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 . 0 0 0 1 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 1 A A 0 0 90 0, 0.0 2,-0.5 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 164.0 33.3 42.9 21.5 2 2 A S - 0 0 100 183,-0.2 2,-0.2 21,-0.0 183,-0.1 -0.801 360.0-131.5 -97.7 131.8 36.1 43.0 23.9 3 3 A T - 0 0 23 -2,-0.5 39,-0.2 181,-0.3 3,-0.1 -0.508 21.0-178.3 -77.5 147.4 36.5 40.2 26.4 4 4 A D + 0 0 100 37,-2.0 2,-0.4 -2,-0.2 38,-0.2 0.222 57.7 77.0-129.4 10.7 37.1 41.1 30.0 5 5 A Y E -A 41 0A 65 36,-1.9 36,-2.1 162,-0.1 2,-0.5 -0.986 53.1-164.9-131.3 135.2 37.5 37.7 31.6 6 6 A W E -A 40 0A 69 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.965 11.3-161.6-117.8 112.9 40.4 35.3 31.7 7 7 A Q E +A 39 0A 12 32,-3.4 32,-2.4 -2,-0.5 2,-0.2 -0.843 22.0 155.9 -98.8 123.7 39.5 31.7 32.8 8 8 A N E +A 38 0A 76 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.663 11.5 152.5-149.1 88.4 42.4 29.5 33.9 9 9 A W E +A 37 0A 87 28,-2.6 28,-2.8 -2,-0.2 2,-0.3 -0.958 10.6 170.8-123.8 138.4 41.5 26.6 36.2 10 10 A T E -A 36 0A 55 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.993 36.6-135.5-141.6 142.2 43.2 23.3 36.7 11 11 A D - 0 0 81 24,-2.4 25,-0.1 -2,-0.3 -1,-0.0 0.442 63.2 -97.8 -77.6 3.8 42.6 20.6 39.3 12 12 A G S S+ 0 0 63 1,-0.3 2,-0.3 23,-0.2 24,-0.1 0.282 80.7 134.2 101.8 -8.6 46.4 20.4 39.6 13 13 A G - 0 0 23 22,-0.3 21,-0.9 2,-0.1 -1,-0.3 -0.565 62.6 -31.9 -85.1 137.0 47.0 17.4 37.3 14 14 A G S S- 0 0 48 -2,-0.3 2,-0.5 19,-0.3 18,-0.2 -0.129 98.0 -34.9 62.6-155.7 49.7 17.2 34.6 15 15 A I E +H 31 0B 110 16,-2.4 16,-2.1 2,-0.0 2,-0.4 -0.906 49.7 175.8-111.1 127.6 50.9 20.2 32.6 16 16 A V E -H 30 0B 34 -2,-0.5 2,-1.1 14,-0.2 14,-0.2 -0.906 6.9-172.1-130.3 100.6 48.7 23.0 31.5 17 17 A N E -H 29 0B 82 12,-3.3 12,-1.4 -2,-0.4 2,-0.5 -0.757 13.9-178.7 -96.0 88.6 50.5 25.8 29.7 18 18 A A E -H 28 0B 24 -2,-1.1 2,-0.6 10,-0.2 10,-0.2 -0.777 9.6-159.7 -92.5 127.9 47.8 28.5 29.3 19 19 A V E -H 27 0B 58 8,-2.8 8,-1.5 -2,-0.5 2,-1.3 -0.929 12.0-147.4-114.2 118.7 48.8 31.7 27.5 20 20 A N E -H 26 0B 93 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.708 34.4-169.3 -80.5 94.0 46.8 34.9 28.0 21 21 A G - 0 0 19 -2,-1.3 2,-0.1 4,-1.0 5,-0.1 -0.001 28.1 -65.2 -78.5-173.6 47.2 36.4 24.6 22 22 A S S > S- 0 0 105 2,-0.1 3,-2.4 4,-0.0 -1,-0.2 -0.438 98.4 -23.6 -73.4 144.8 46.5 39.8 23.0 23 23 A G T 3 S- 0 0 55 1,-0.3 162,-0.1 -2,-0.1 -21,-0.0 -0.307 133.0 -19.4 56.9-126.8 42.8 40.9 22.8 24 24 A G T 3 S+ 0 0 13 160,-0.1 160,-2.6 -23,-0.1 2,-0.3 0.168 109.3 115.1 -99.0 19.3 40.6 37.9 22.8 25 25 A N E < + I 0 183B 39 -3,-2.4 -4,-1.0 158,-0.3 2,-0.3 -0.663 33.3 158.9 -94.0 144.2 43.3 35.4 21.8 26 26 A Y E -HI 20 182B 0 156,-2.3 156,-2.4 -2,-0.3 2,-0.3 -0.981 18.3-157.4-155.0 157.1 44.5 32.6 24.0 27 27 A S E -HI 19 181B 22 -8,-1.5 -8,-2.8 -2,-0.3 2,-0.4 -0.975 2.2-159.0-139.8 154.5 46.4 29.3 23.6 28 28 A V E -HI 18 180B 0 152,-2.8 152,-2.0 -2,-0.3 2,-0.5 -0.996 8.9-175.0-140.0 133.7 46.7 26.1 25.6 29 29 A N E +HI 17 179B 68 -12,-1.4 -12,-3.3 -2,-0.4 2,-0.3 -0.985 23.3 170.5-121.5 114.2 49.3 23.3 25.6 30 30 A W E +HI 16 178B 7 148,-2.4 148,-2.5 -2,-0.5 2,-0.3 -0.906 13.7 179.5-129.3 157.0 48.4 20.5 27.9 31 31 A S E -H 15 0B 35 -16,-2.1 -16,-2.4 -2,-0.3 146,-0.3 -0.926 66.5 -10.5-159.5 130.7 49.6 17.0 28.6 32 32 A N S S+ 0 0 129 -2,-0.3 145,-0.2 -18,-0.2 2,-0.1 0.901 89.0 160.9 48.2 54.8 48.6 14.1 31.0 33 33 A T - 0 0 7 143,-1.6 -19,-0.3 1,-0.2 -1,-0.1 -0.267 42.5-138.3 -96.5 179.6 46.3 16.4 32.9 34 34 A G S S- 0 0 9 -21,-0.9 141,-1.5 1,-0.2 2,-0.4 0.229 71.6 -34.8-103.6-128.0 43.3 15.9 35.2 35 35 A D E + B 0 174A 18 139,-0.2 -24,-2.4 -2,-0.1 2,-0.3 -0.800 70.0 164.3-100.4 140.8 40.5 18.3 34.6 36 36 A F E -AB 10 173A 0 137,-1.5 137,-1.5 -2,-0.4 2,-0.4 -0.992 22.0-159.5-152.3 150.4 41.1 21.9 33.4 37 37 A V E +AB 9 172A 1 -28,-2.8 -28,-2.6 -2,-0.3 2,-0.4 -0.971 16.2 172.0-136.1 119.8 39.2 24.8 31.9 38 38 A V E +AB 8 171A 0 133,-2.2 133,-2.7 -2,-0.4 2,-0.3 -0.974 19.5 110.0-128.1 141.3 40.9 27.7 30.0 39 39 A G E -AB 7 170A 0 -32,-2.4 -32,-3.4 -2,-0.4 2,-0.4 -0.977 48.8-104.3 172.5 173.9 39.3 30.5 28.0 40 40 A K E +AB 6 169A 6 129,-1.1 129,-2.2 -2,-0.3 2,-0.2 -0.947 52.8 100.4-124.3 146.0 38.4 34.1 27.4 41 41 A G E -AB 5 168A 0 -36,-2.1 -37,-2.0 -2,-0.4 -36,-1.9 -0.769 63.5 -30.2-177.7-133.6 35.0 35.8 27.7 42 42 A W E - B 0 167A 11 125,-2.8 125,-2.3 -2,-0.2 3,-0.1 -0.911 33.1-135.6-123.7 143.9 33.0 38.0 30.0 43 43 A T S S+ 0 0 69 -2,-0.4 2,-0.5 123,-0.2 -1,-0.1 0.832 101.2 40.1 -61.6 -36.1 32.9 38.3 33.8 44 44 A T S S- 0 0 90 122,-0.1 122,-0.2 123,-0.1 -1,-0.2 -0.958 85.2-141.1-121.3 116.5 29.1 38.4 33.7 45 45 A G - 0 0 6 120,-3.0 119,-0.1 -2,-0.5 121,-0.1 -0.262 13.3-156.9 -71.0 160.3 27.3 36.0 31.3 46 46 A S > - 0 0 33 1,-0.1 3,-0.9 -4,-0.0 100,-0.1 -1.000 22.2-143.5-140.6 138.5 24.2 37.0 29.4 47 47 A P T 3 S+ 0 0 31 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.596 105.9 50.6 -74.9 -9.6 21.4 35.0 27.9 48 48 A F T 3 S+ 0 0 161 98,-0.1 99,-0.1 99,-0.1 2,-0.1 0.364 83.9 121.3-107.2 3.3 21.3 37.4 24.9 49 49 A R < - 0 0 58 -3,-0.9 97,-1.0 97,-0.1 2,-0.6 -0.387 51.0-150.2 -73.1 142.9 25.0 37.4 24.2 50 50 A T E -J 145 0B 70 95,-0.2 2,-0.5 96,-0.1 95,-0.2 -0.966 16.2-152.2-111.1 115.1 26.2 36.4 20.7 51 51 A I E -J 144 0B 0 93,-2.4 93,-2.9 -2,-0.6 2,-0.4 -0.769 9.4-167.3 -97.6 132.0 29.7 34.8 20.9 52 52 A N E +J 143 0B 39 133,-2.6 133,-2.4 -2,-0.5 2,-0.3 -0.894 16.1 159.6-113.2 143.8 32.2 34.9 18.1 53 53 A Y E -JK 142 184B 2 89,-2.4 89,-3.3 -2,-0.4 2,-0.3 -0.995 28.4-157.2-159.7 160.0 35.3 32.8 17.8 54 54 A N E - K 0 183B 35 129,-1.8 129,-1.8 -2,-0.3 2,-1.1 -0.909 11.0-156.6-143.4 109.3 37.9 31.4 15.6 55 55 A A E + K 0 182B 0 85,-0.4 84,-0.6 -2,-0.3 127,-0.2 -0.775 12.8 178.3 -89.7 95.8 39.9 28.4 16.6 56 56 A G E S+ 0 0 52 -2,-1.1 2,-0.4 125,-1.1 -1,-0.2 0.808 77.1 30.7 -65.2 -30.2 43.1 28.7 14.6 57 57 A V E + K 0 181B 62 124,-1.9 124,-2.7 -3,-0.1 2,-0.3 -0.983 59.1 161.7-136.6 123.8 44.3 25.5 16.3 58 58 A W E + K 0 180B 36 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.779 18.1 145.9-138.8 90.8 42.2 22.6 17.6 59 59 A A E + K 0 179B 49 120,-3.2 120,-1.4 -2,-0.3 2,-0.3 -0.577 16.5 174.1-129.2 70.1 44.4 19.6 18.1 60 60 A P E - K 0 178B 27 0, 0.0 2,-0.4 0, 0.0 118,-0.3 -0.587 19.6-158.8 -81.7 141.9 43.2 17.5 21.1 61 61 A N E S- K 0 177B 132 116,-3.3 116,-0.8 -2,-0.3 2,-0.3 -0.579 74.8 -19.0-111.3 61.9 45.0 14.1 21.6 62 62 A G S S+ 0 0 15 -2,-0.4 25,-1.5 114,-0.2 2,-0.6 -0.982 121.4 7.8 139.3-148.2 42.3 12.5 23.7 63 63 A N S S+ 0 0 29 111,-0.4 111,-1.9 -2,-0.3 2,-0.3 -0.572 76.2 135.6 -75.6 116.0 39.3 13.9 25.7 64 64 A G E -C 173 0A 0 -2,-0.6 22,-1.7 24,-0.2 2,-0.4 -0.975 35.6-149.4-158.9 147.0 38.9 17.6 25.0 65 65 A Y E -CD 172 85A 24 107,-2.8 107,-2.2 -2,-0.3 2,-0.7 -0.973 9.0-158.2-126.3 135.4 36.1 20.0 24.3 66 66 A L E +CD 171 84A 0 18,-2.5 17,-2.1 -2,-0.4 18,-1.4 -0.927 49.6 141.0-102.2 102.3 35.9 23.3 22.4 67 67 A T E -CD 170 82A 1 103,-2.1 103,-2.8 -2,-0.7 2,-0.3 -0.984 62.0-104.3-151.8 152.8 32.9 24.8 23.9 68 68 A L E -CD 169 81A 0 13,-2.4 13,-1.6 -2,-0.3 2,-0.4 -0.614 50.0-170.9 -69.3 135.0 31.0 27.8 25.3 69 69 A Y E +CD 168 80A 8 99,-3.5 99,-3.1 -2,-0.3 2,-0.3 -0.994 16.6 133.5-140.2 139.6 31.2 27.5 29.0 70 70 A G E -CD 167 79A 0 9,-1.6 9,-2.6 -2,-0.4 2,-0.3 -0.986 30.6-130.2-168.6 174.9 29.6 29.3 31.9 71 71 A W E - D 0 78A 4 95,-1.5 94,-2.2 -2,-0.3 2,-0.3 -0.926 8.4-166.5-136.5 160.6 27.9 29.2 35.3 72 72 A T E > -CD 164 77A 0 5,-1.6 5,-2.1 -2,-0.3 2,-0.3 -0.939 13.2-142.0-139.1 157.6 24.9 30.5 37.1 73 73 A R E 5 +C 163 0A 72 90,-2.8 90,-2.0 -2,-0.3 89,-0.6 -0.832 68.3 65.1-117.5 160.2 23.9 30.6 40.7 74 74 A S T 5S+ 0 0 86 -2,-0.3 88,-1.6 87,-0.2 -1,-0.2 0.968 128.7 22.6 54.4 64.1 20.4 30.2 42.3 75 75 A P T 5S- 0 0 74 0, 0.0 2,-0.5 0, 0.0 86,-0.4 0.570 107.2-126.1 -93.6 169.1 20.5 27.5 41.2 76 76 A L T 5 + 0 0 34 -3,-0.2 50,-0.8 48,-0.1 2,-0.4 -0.570 42.2 165.4 -70.8 116.1 24.1 26.4 40.7 77 77 A I E < -De 72 126A 4 -5,-2.1 -5,-1.6 -2,-0.5 2,-0.5 -0.995 30.2-155.8-142.1 132.0 24.4 25.3 37.1 78 78 A E E -De 71 127A 11 48,-1.8 50,-1.8 -2,-0.4 2,-0.3 -0.931 26.2-168.3-101.2 120.1 27.4 24.6 34.8 79 79 A Y E -De 70 128A 0 -9,-2.6 -9,-1.6 -2,-0.5 2,-0.3 -0.823 8.7-168.6-118.2 159.3 26.4 24.9 31.1 80 80 A Y E -De 69 129A 4 48,-2.2 50,-0.9 -2,-0.3 2,-0.3 -0.986 21.7-169.2-143.9 148.4 28.0 24.0 27.8 81 81 A V E -De 68 130A 0 -13,-1.6 -13,-2.4 -2,-0.3 2,-0.6 -0.834 27.1-161.6-133.9 88.8 27.6 24.6 24.1 82 82 A V E +De 67 131A 0 48,-2.6 50,-2.5 -2,-0.3 -15,-0.2 -0.678 22.7 168.9 -83.0 118.7 30.0 22.1 22.5 83 83 A D E S+ 0 0 0 -17,-2.1 53,-2.9 -2,-0.6 2,-0.3 0.736 70.6 5.2 -96.2 -30.8 31.0 22.8 18.9 84 84 A S E -D 66 0A 4 -18,-1.4 -18,-2.5 51,-0.2 -1,-0.3 -0.975 62.2-177.1-150.3 163.7 33.9 20.3 18.7 85 85 A W E -D 65 0A 23 -2,-0.3 -20,-0.2 -20,-0.2 4,-0.1 -0.897 23.0-120.7-151.3 178.0 35.6 17.6 20.8 86 86 A G S S- 0 0 9 -22,-1.7 -23,-0.2 2,-0.4 -1,-0.2 0.606 79.1 -32.6 -93.9-112.6 38.4 15.1 20.8 87 87 A T S S+ 0 0 117 -25,-1.5 2,-0.5 1,-0.1 -24,-0.2 0.643 125.4 60.4 -88.4 -15.2 38.0 11.4 21.1 88 88 A Y - 0 0 104 -26,-0.3 -2,-0.4 -24,-0.2 -24,-0.2 -0.950 67.0-152.8-122.5 121.4 34.9 11.5 23.3 89 89 A R - 0 0 58 -2,-0.5 2,-0.1 -4,-0.1 -24,-0.1 -0.790 29.8-123.4 -87.1 116.0 31.6 13.2 22.4 90 90 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.348 41.6 162.5 -63.3 135.4 29.8 14.3 25.6 91 91 A T + 0 0 66 -2,-0.1 2,-0.2 3,-0.0 17,-0.1 -0.914 9.6 148.3-144.4 170.3 26.3 12.9 26.2 92 92 A G - 0 0 32 -2,-0.3 2,-0.8 15,-0.1 18,-0.2 -0.738 63.5 -5.1-168.8-142.4 23.8 12.5 28.9 93 93 A T E S-F 109 0A 83 16,-2.3 16,-1.1 -2,-0.2 2,-0.1 -0.632 73.3-129.6 -76.1 108.8 20.0 12.4 29.3 94 94 A Y E +F 108 0A 133 -2,-0.8 14,-0.2 14,-0.2 3,-0.1 -0.369 36.2 166.9 -61.7 129.3 18.6 13.3 25.9 95 95 A K E - 0 0 80 12,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.620 55.0 -79.6-116.1 -25.5 16.0 16.1 26.0 96 96 A G E -F 107 0A 9 11,-0.9 11,-3.4 2,-0.0 -1,-0.4 -0.984 49.4 -77.0 154.2-160.3 15.7 17.1 22.3 97 97 A T E -F 106 0A 46 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.909 22.9-159.3-136.0 164.0 17.5 19.1 19.7 98 98 A V E -F 105 0A 15 7,-2.2 7,-2.5 -2,-0.3 2,-0.5 -0.989 13.3-141.9-144.2 129.5 18.1 22.8 18.6 99 99 A K E +F 104 0A 132 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.848 36.1 153.3 -92.0 126.6 19.2 24.2 15.3 100 100 A S E > -F 103 0A 6 3,-2.5 3,-1.9 -2,-0.5 -2,-0.1 -0.968 56.1 -2.5-158.1 136.8 21.5 27.2 15.6 101 101 A D T 3 S- 0 0 42 -2,-0.3 42,-0.2 1,-0.3 3,-0.1 0.843 127.5 -50.4 53.0 45.3 24.2 28.9 13.6 102 102 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.364 120.6 87.1 81.7 -6.4 24.1 26.3 10.8 103 103 A G E < -F 100 0A 6 -3,-1.9 -3,-2.5 33,-0.0 2,-0.5 -0.812 69.8-124.3-125.8 166.6 24.3 23.2 13.0 104 104 A T E -F 99 0A 41 -2,-0.3 29,-2.8 -5,-0.2 2,-0.4 -0.934 26.5-164.7-110.6 131.3 22.1 20.8 14.9 105 105 A Y E -FG 98 132A 0 -7,-2.5 -7,-2.2 -2,-0.5 2,-0.3 -0.917 14.6-136.4-119.2 140.9 22.7 20.3 18.6 106 106 A D E -FG 97 131A 18 25,-3.1 25,-2.6 -2,-0.4 2,-0.5 -0.715 22.2-134.7 -87.7 143.8 21.5 17.6 20.9 107 107 A I E +FG 96 130A 0 -11,-3.4 -12,-3.0 -2,-0.3 -11,-0.9 -0.891 30.6 170.9-104.2 128.1 20.3 18.7 24.3 108 108 A Y E -FG 94 129A 19 21,-2.0 21,-2.8 -2,-0.5 2,-0.4 -0.943 21.3-155.1-133.7 156.5 21.4 16.8 27.4 109 109 A T E +FG 93 128A 22 -16,-1.1 -16,-2.3 -2,-0.3 2,-0.3 -0.985 18.8 168.2-128.4 138.4 21.3 17.1 31.1 110 110 A T E - G 0 127A 31 17,-1.9 17,-2.8 -2,-0.4 2,-0.4 -0.892 22.6-131.9-138.4 171.9 23.7 15.5 33.6 111 111 A T E - G 0 126A 58 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.984 6.3-149.8-132.9 140.5 24.5 15.7 37.2 112 112 A R E - G 0 125A 85 13,-3.2 13,-1.8 -2,-0.4 2,-0.5 -0.913 12.2-156.9-107.0 135.4 27.8 16.1 39.1 113 113 A Y E S- 0 0 164 -2,-0.4 11,-0.2 11,-0.2 -2,-0.0 -0.962 71.5 -13.0-116.8 127.6 28.1 14.6 42.6 114 114 A N E S+ 0 0 102 -2,-0.5 10,-0.2 1,-0.2 -1,-0.2 0.918 97.2 144.1 51.6 50.1 30.7 15.9 45.1 115 115 A A E - G 0 123A 2 8,-2.6 8,-2.4 -3,-0.2 -1,-0.2 -0.810 56.1 -93.5-116.7 157.4 32.6 17.8 42.4 116 116 A P E - G 0 122A 49 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.388 47.1-179.6 -70.0 148.8 34.4 21.1 42.5 117 117 A S > - 0 0 18 4,-0.8 3,-1.7 3,-0.2 -39,-0.0 -0.765 46.8 -87.7-135.2-177.9 32.4 24.2 41.5 118 118 A I T 3 S+ 0 0 39 1,-0.3 3,-0.1 -2,-0.2 -47,-0.0 0.787 123.1 63.0 -63.9 -26.3 32.8 28.0 41.2 119 119 A D T 3 S- 0 0 95 1,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.389 111.9-121.7 -80.3 4.7 31.9 28.3 44.9 120 120 A G S < S+ 0 0 37 -3,-1.7 -1,-0.2 1,-0.2 -3,-0.2 -0.104 76.1 51.0 79.2 176.3 34.9 26.3 45.8 121 121 A D S S- 0 0 151 -5,-0.1 -4,-0.8 -3,-0.1 2,-0.3 -0.137 100.1 -58.7 52.5-150.5 35.1 23.1 47.7 122 122 A R E + G 0 116A 162 -6,-0.2 2,-0.3 -3,-0.1 -8,-0.1 -0.959 59.4 145.6-132.4 150.1 32.8 20.3 46.4 123 123 A T E - G 0 115A 59 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.5 -0.947 45.4 -88.4-163.5 178.9 29.1 19.9 45.9 124 124 A T E + 0 0 78 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.890 50.2 157.5-103.5 129.3 26.3 18.4 43.7 125 125 A F E - G 0 112A 8 -13,-1.8 -13,-3.2 -2,-0.5 2,-0.2 -0.991 36.9-109.9-151.3 160.0 25.1 20.4 40.7 126 126 A T E -eG 77 111A 53 -50,-0.8 -48,-1.8 -2,-0.3 2,-0.4 -0.601 23.1-150.3 -91.6 148.6 23.3 20.0 37.4 127 127 A Q E -eG 78 110A 15 -17,-2.8 -17,-1.9 -2,-0.2 2,-0.4 -0.972 3.3-153.3-120.2 131.9 24.9 20.5 34.0 128 128 A Y E -eG 79 109A 22 -50,-1.8 -48,-2.2 -2,-0.4 2,-0.4 -0.892 18.8-166.6-103.2 134.4 23.1 21.7 30.8 129 129 A W E -eG 80 108A 14 -21,-2.8 -21,-2.0 -2,-0.4 2,-0.4 -0.957 26.7-178.6-132.7 145.7 24.5 20.7 27.5 130 130 A S E -eG 81 107A 0 -50,-0.9 -48,-2.6 -2,-0.4 2,-0.5 -0.969 22.3-177.1-129.3 107.1 24.1 21.5 23.9 131 131 A V E -eG 82 106A 0 -25,-2.6 -25,-3.1 -2,-0.4 -48,-0.2 -0.958 26.6-121.8-118.9 122.5 26.3 19.2 21.8 132 132 A R E - G 0 105A 28 -50,-2.5 -27,-0.3 -2,-0.5 3,-0.0 -0.277 16.7-133.3 -57.5 140.1 26.7 19.5 18.0 133 133 A Q S S+ 0 0 97 -29,-2.8 2,-0.3 1,-0.1 -1,-0.1 0.852 93.3 20.3 -65.1 -35.8 25.7 16.3 16.2 134 134 A S S S- 0 0 76 -30,-0.3 -1,-0.1 -51,-0.1 2,-0.1 -0.940 102.5 -86.9-129.7 153.9 28.9 16.6 14.1 135 135 A K - 0 0 100 -2,-0.3 -51,-0.2 1,-0.1 -52,-0.1 -0.370 41.0-124.4 -64.0 133.5 32.1 18.5 14.8 136 136 A R - 0 0 31 -53,-2.9 -1,-0.1 -2,-0.1 -53,-0.0 -0.631 31.2-110.4 -76.4 129.2 32.1 22.0 13.7 137 137 A P - 0 0 101 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.296 37.0-145.0 -58.4 144.9 35.0 22.8 11.3 138 138 A T + 0 0 57 1,-0.2 -82,-0.1 -80,-0.1 3,-0.1 -0.604 69.5 61.5-109.3 171.9 37.6 25.1 12.9 139 139 A G S S+ 0 0 44 -84,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.380 88.8 95.7 93.9 -3.4 39.8 27.8 11.5 140 140 A S S S- 0 0 81 -3,-0.3 2,-0.9 -85,-0.1 -85,-0.4 -0.764 90.6 -90.7-116.4 162.3 36.8 29.8 10.4 141 141 A N - 0 0 117 -2,-0.3 2,-0.3 -87,-0.1 -87,-0.2 -0.649 54.2-170.6 -73.6 106.6 34.9 32.7 12.0 142 142 A A E -J 53 0B 7 -89,-3.3 -89,-2.4 -2,-0.9 2,-0.4 -0.734 11.3-153.4-104.9 151.2 32.2 30.9 14.0 143 143 A T E -J 52 0B 43 -2,-0.3 2,-0.5 -91,-0.2 -91,-0.2 -0.960 6.4-164.4-125.9 138.6 29.2 32.3 15.8 144 144 A I E -J 51 0B 0 -93,-2.9 -93,-2.4 -2,-0.4 2,-1.5 -0.939 8.0-158.8-122.2 103.9 27.2 30.9 18.7 145 145 A T E >> -J 50 0B 30 -2,-0.5 3,-1.6 -95,-0.2 4,-0.8 -0.670 10.3-173.6 -82.4 87.5 23.8 32.6 19.2 146 146 A F H 3> S+ 0 0 0 -2,-1.5 4,-2.6 -97,-1.0 3,-0.4 0.772 75.3 70.1 -55.3 -32.0 23.4 31.7 22.8 147 147 A T H 3> S+ 0 0 40 -98,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.861 95.4 55.0 -55.4 -37.5 19.8 33.0 22.9 148 148 A N H <> S+ 0 0 64 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.871 110.7 44.3 -63.8 -40.3 18.7 30.1 20.7 149 149 A H H X S+ 0 0 0 -4,-0.8 4,-3.1 -3,-0.4 5,-0.2 0.936 111.7 52.0 -71.6 -45.6 20.1 27.6 23.2 150 150 A V H X S+ 0 0 17 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.904 112.7 46.0 -56.7 -43.4 18.7 29.3 26.2 151 151 A N H X S+ 0 0 76 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.893 112.5 50.3 -68.6 -39.3 15.3 29.3 24.7 152 152 A A H < S+ 0 0 13 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.921 110.3 49.7 -64.2 -44.2 15.5 25.7 23.6 153 153 A W H ><>S+ 0 0 0 -4,-3.1 5,-3.1 1,-0.2 3,-1.2 0.889 106.7 56.7 -62.1 -39.1 16.6 24.6 27.1 154 154 A K H ><5S+ 0 0 101 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.900 100.7 55.9 -60.3 -42.7 13.7 26.5 28.6 155 155 A S T 3<5S+ 0 0 93 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.615 108.0 50.9 -68.4 -10.0 11.1 24.6 26.6 156 156 A H T < 5S- 0 0 69 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.065 126.3 -99.3-111.3 21.5 12.6 21.4 28.0 157 157 A G T < 5S+ 0 0 53 -3,-1.9 2,-1.1 1,-0.2 -3,-0.2 0.635 81.7 135.6 72.3 15.1 12.3 22.6 31.6 158 158 A M < + 0 0 5 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.734 29.3 175.4 -99.0 88.0 16.0 23.6 31.7 159 159 A N - 0 0 89 -2,-1.1 2,-0.1 -5,-0.1 -9,-0.0 -0.786 21.3-136.3 -99.2 133.8 16.0 27.0 33.4 160 160 A L - 0 0 32 -2,-0.4 -84,-0.1 1,-0.1 4,-0.1 -0.329 31.1 -89.0 -81.5 165.0 19.2 28.8 34.3 161 161 A G - 0 0 4 -86,-0.4 -87,-0.2 2,-0.1 -1,-0.1 -0.132 24.3-124.9 -69.3 170.1 19.9 30.6 37.6 162 162 A S S S+ 0 0 100 -88,-1.6 2,-0.7 -89,-0.6 -88,-0.2 0.650 96.2 69.7 -90.4 -18.5 19.1 34.2 38.3 163 163 A N E S- C 0 73A 80 -90,-2.0 -90,-2.8 -88,-0.1 2,-0.4 -0.883 77.5-152.3-103.9 106.2 22.7 35.1 39.3 164 164 A W E - C 0 72A 49 -2,-0.7 -92,-0.2 -92,-0.2 3,-0.1 -0.634 13.5-175.1 -86.3 130.9 25.0 35.0 36.3 165 165 A A E - 0 0 10 -94,-2.2 -120,-3.0 -2,-0.4 -123,-0.1 -0.117 46.4 -35.9-100.6-158.3 28.7 34.2 36.6 166 166 A Y E - 0 0 25 -122,-0.2 -95,-1.5 -2,-0.1 2,-0.3 -0.119 49.2-160.4 -65.4 163.2 31.4 34.2 34.0 167 167 A Q E +BC 42 70A 0 -125,-2.3 -125,-2.8 -97,-0.2 2,-0.3 -0.925 21.1 160.4-146.3 112.8 30.8 33.1 30.4 168 168 A V E -BC 41 69A 0 -99,-3.1 -99,-3.5 -2,-0.3 2,-0.9 -0.928 46.1-117.5-139.2 158.9 33.7 32.1 28.1 169 169 A M E +BC 40 68A 0 -129,-2.2 -129,-1.1 -2,-0.3 -101,-0.2 -0.860 59.0 177.4 -89.5 104.7 34.7 30.3 24.9 170 170 A A E -BC 39 67A 0 -103,-2.8 -103,-2.1 -2,-0.9 2,-0.5 -0.561 42.0-133.5-119.9 175.9 36.9 27.6 26.4 171 171 A T E -BC 38 66A 0 -133,-2.7 -133,-2.2 -105,-0.2 2,-0.4 -0.996 27.0-173.4-120.1 113.1 39.0 24.6 26.0 172 172 A E E -BC 37 65A 12 -107,-2.2 -107,-2.8 -2,-0.5 2,-0.4 -0.959 2.1-174.8-113.4 135.6 38.4 21.9 28.6 173 173 A G E -BC 36 64A 0 -137,-1.5 -137,-1.5 -2,-0.4 2,-0.4 -0.953 9.1-165.5-128.3 148.9 40.6 18.8 28.8 174 174 A Y E S-B 35 0A 117 -111,-1.9 -111,-0.4 -2,-0.4 -139,-0.2 -0.946 72.1 -29.7-138.5 116.4 40.3 15.6 30.9 175 175 A Q S S+ 0 0 135 -141,-1.5 -112,-0.3 -2,-0.4 2,-0.2 0.908 114.8 93.3 42.7 57.1 43.1 13.1 31.4 176 176 A S - 0 0 8 -142,-0.3 -143,-1.6 -114,-0.1 2,-0.3 -0.827 65.1-121.5-153.0-171.0 44.5 14.0 27.9 177 177 A S E + K 0 61B 28 -116,-0.8 -116,-3.3 -146,-0.3 2,-0.3 -0.901 41.8 107.8-138.3 165.1 47.0 16.0 25.9 178 178 A G E -IK 30 60B 11 -148,-2.5 -148,-2.4 -2,-0.3 2,-0.3 -0.958 46.7 -96.1 156.0-173.8 46.7 18.5 23.1 179 179 A S E +IK 29 59B 40 -120,-1.4 -120,-3.2 -2,-0.3 2,-0.3 -0.991 25.8 175.8-143.6 148.2 46.9 22.0 21.8 180 180 A S E -IK 28 58B 2 -152,-2.0 -152,-2.8 -2,-0.3 2,-0.4 -0.992 12.3-169.7-153.5 148.3 44.4 24.8 21.0 181 181 A N E +IK 27 57B 53 -124,-2.7 -124,-1.9 -2,-0.3 -125,-1.1 -0.929 20.5 173.8-140.3 111.6 44.5 28.4 19.9 182 182 A V E -IK 26 55B 0 -156,-2.4 -156,-2.3 -2,-0.4 2,-0.5 -0.960 21.7-158.3-129.9 143.8 41.3 30.4 20.0 183 183 A T E -IK 25 54B 49 -129,-1.8 -129,-1.8 -2,-0.4 2,-0.4 -0.980 17.0-166.4-118.3 123.0 40.3 34.0 19.5 184 184 A V E K 0 53B 3 -160,-2.6 -181,-0.3 -2,-0.5 -131,-0.2 -0.885 360.0 360.0-114.6 142.1 37.1 35.2 21.1 185 185 A W 0 0 86 -133,-2.4 -133,-2.6 -2,-0.4 -183,-0.2 -0.925 360.0 360.0-158.2 360.0 35.1 38.4 20.4