==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-SEP-05 2D2O . COMPND 2 MOLECULE: NEOPULLULANASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR A.OHTAKI,M.MIZUNO,H.YOSHIDA,T.TONOZUKA,Y.SAKANO,S.KAMITORI . 1170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 812 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.9 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 . 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 . 110 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.5 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 2 2 2 0 2 0 3 4 1 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 6 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 . 11 6 4 7 3 2 4 2 2 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 1 0 2 4 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 1 A M 0 0 56 0, 0.0 2,-1.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 120.2 21.2 33.9 22.3 2 2 A L > - 0 0 33 1,-0.2 3,-1.9 28,-0.1 28,-0.4 -0.665 360.0-176.6 -84.3 92.3 24.5 34.8 24.0 3 3 A L G > S+ 0 0 27 -2,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.767 76.6 69.2 -61.2 -27.9 25.1 31.8 26.3 4 4 A E G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.610 98.5 52.4 -67.4 -11.3 28.2 33.4 27.7 5 5 A A G < S+ 0 0 3 -3,-1.9 2,-0.4 25,-0.0 -1,-0.3 0.315 86.7 103.0-105.5 6.4 26.0 36.0 29.4 6 6 A I < + 0 0 10 -3,-1.7 2,-0.4 23,-0.2 23,-0.2 -0.765 49.3 180.0 -94.9 133.6 23.6 33.5 31.0 7 7 A F B +A 28 0A 23 21,-2.7 21,-2.1 -2,-0.4 2,-0.3 -0.987 15.3 143.5-139.9 145.0 24.0 32.9 34.8 8 8 A H - 0 0 13 -2,-0.4 2,-0.4 19,-0.2 19,-0.1 -0.895 16.0-169.5-170.5 143.3 22.6 30.9 37.6 9 9 A E - 0 0 35 17,-0.3 2,-1.8 -2,-0.3 17,-0.2 -0.995 31.7-123.2-140.0 139.6 23.8 29.1 40.7 10 10 A A S S+ 0 0 27 -2,-0.4 2,-0.3 102,-0.1 15,-0.0 -0.234 90.7 27.5 -77.1 48.6 21.8 26.7 42.9 11 11 A K S >> S+ 0 0 59 -2,-1.8 3,-1.8 102,-0.1 4,-0.7 -0.956 90.1 49.9-178.4-169.5 22.4 28.8 46.0 12 12 A G T 34 S- 0 0 22 -2,-0.3 3,-0.2 1,-0.2 393,-0.1 -0.316 121.7 -25.2 58.9-131.9 23.1 32.3 47.3 13 13 A S T 34 S+ 0 0 10 391,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.422 135.7 63.8 -96.2 2.2 20.7 34.8 45.9 14 14 A Y T <4 S+ 0 0 19 -3,-1.8 12,-2.9 1,-0.3 2,-0.3 0.584 115.4 20.9 -99.2 -12.1 19.8 32.8 42.7 15 15 A A E < S+B 25 0A 0 -4,-0.7 -1,-0.3 -3,-0.2 10,-0.2 -0.817 79.3 131.5-157.5 110.9 18.2 29.9 44.5 16 16 A Y E -B 24 0A 12 8,-2.0 8,-3.1 -2,-0.3 2,-0.2 -0.983 49.4-103.5-158.3 154.9 16.9 30.0 48.1 17 17 A P E -B 23 0A 7 0, 0.0 105,-0.4 0, 0.0 6,-0.2 -0.532 16.0-173.3 -84.9 150.3 13.7 29.1 49.9 18 18 A I E S+ 0 0 46 4,-2.1 2,-0.3 1,-0.2 5,-0.1 0.369 83.0 3.9-114.4 -7.5 11.0 31.5 51.0 19 19 A S E > S-B 22 0A 27 3,-1.1 3,-0.7 1,-0.0 -1,-0.2 -0.922 93.0 -83.6-160.5 178.6 9.2 28.7 52.9 20 20 A E T 3 S+ 0 0 85 -2,-0.3 96,-0.1 1,-0.2 98,-0.1 0.766 127.4 27.2 -65.6 -25.6 9.8 25.0 53.8 21 21 A T T 3 S+ 0 0 52 1,-0.1 54,-3.1 56,-0.1 2,-0.4 0.133 106.7 79.3-125.6 20.7 8.4 23.9 50.5 22 22 A Q E < -BC 19 74A 51 -3,-0.7 -4,-2.1 52,-0.2 -3,-1.1 -0.973 52.7-165.5-136.8 122.7 9.0 26.8 48.0 23 23 A L E -BC 17 73A 0 50,-2.2 50,-2.9 -2,-0.4 2,-0.4 -0.920 10.2-150.2-109.5 122.2 12.2 27.6 46.3 24 24 A R E -BC 16 72A 51 -8,-3.1 -8,-2.0 -2,-0.5 2,-0.4 -0.738 19.6-171.7 -87.5 132.1 12.7 31.0 44.6 25 25 A V E -BC 15 71A 1 46,-2.7 46,-2.6 -2,-0.4 2,-0.3 -0.978 6.9-167.5-129.3 142.9 15.1 30.8 41.6 26 26 A R E - C 0 70A 8 -12,-2.9 2,-0.3 -2,-0.4 -17,-0.3 -0.928 3.4-174.9-128.3 151.7 16.5 33.5 39.5 27 27 A L E - C 0 69A 0 42,-2.5 42,-3.7 -2,-0.3 2,-0.4 -0.996 9.1-154.2-145.1 138.7 18.4 33.6 36.2 28 28 A R E +AC 7 68A 25 -21,-2.1 -21,-2.7 -2,-0.3 2,-0.3 -0.935 15.4 170.8-119.8 142.3 20.0 36.3 34.3 29 29 A A E - C 0 67A 0 38,-1.6 38,-2.8 -2,-0.4 -23,-0.2 -0.922 50.4 -70.5-138.9 160.5 20.6 36.6 30.5 30 30 A K E >> S- C 0 66A 62 -28,-0.4 3,-2.2 -2,-0.3 4,-0.6 -0.305 71.2 -89.4 -53.1 134.2 21.9 39.4 28.3 31 31 A K T 34 S+ 0 0 95 34,-3.1 -1,-0.1 1,-0.3 35,-0.1 -0.231 112.5 9.8 -50.4 127.0 19.1 42.0 28.1 32 32 A G T 34 S+ 0 0 44 2,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.119 99.8 103.0 89.5 -22.6 16.7 41.1 25.3 33 33 A D T <4 S+ 0 0 28 -3,-2.2 2,-0.4 55,-0.1 -2,-0.1 0.869 77.8 49.0 -61.0 -40.9 18.2 37.7 24.6 34 34 A V < + 0 0 2 -4,-0.6 -2,-0.3 54,-0.2 54,-0.2 -0.889 49.6 174.3-110.8 133.2 15.5 35.7 26.2 35 35 A V S S+ 0 0 98 52,-2.7 2,-0.4 -2,-0.4 53,-0.2 0.665 77.4 25.0-103.6 -25.4 11.7 36.2 25.7 36 36 A R E -E 87 0B 120 51,-1.3 51,-2.5 22,-0.1 2,-0.5 -0.989 60.8-172.2-144.8 132.2 10.5 33.3 27.8 37 37 A C E +E 86 0B 1 20,-0.5 20,-2.7 -2,-0.4 2,-0.3 -0.984 12.5 176.9-127.9 117.8 12.2 31.5 30.7 38 38 A E E -EF 85 56B 31 47,-2.3 47,-2.9 -2,-0.5 2,-0.5 -0.924 19.8-143.3-123.2 147.3 10.6 28.3 32.1 39 39 A V E -EF 84 55B 0 16,-3.2 16,-1.7 -2,-0.3 2,-0.6 -0.943 8.2-164.5-113.0 126.8 11.7 26.0 34.8 40 40 A L E +EF 83 54B 13 43,-2.8 43,-2.2 -2,-0.5 2,-0.3 -0.951 28.0 161.1-109.5 119.4 11.1 22.2 34.5 41 41 A Y E +EF 82 53B 22 12,-2.0 12,-3.9 -2,-0.6 2,-0.3 -0.877 20.2 169.4-140.1 170.3 11.5 20.5 37.8 42 42 A A E -E 81 0B 16 39,-2.0 39,-2.4 -2,-0.3 10,-0.1 -0.972 48.5 -64.1-166.1 170.5 10.9 17.5 40.0 43 43 A D > - 0 0 25 -2,-0.3 3,-1.8 37,-0.2 37,-0.2 -0.352 52.0-115.7 -62.2 147.9 11.8 15.7 43.2 44 44 A R T 3 S+ 0 0 36 35,-0.4 -1,-0.1 1,-0.3 36,-0.1 0.655 115.6 43.0 -63.0 -14.8 15.5 14.7 43.3 45 45 A Y T 3 S+ 0 0 66 34,-0.2 -1,-0.3 828,-0.1 829,-0.1 0.230 82.7 135.2-114.7 13.5 14.5 11.1 43.4 46 46 A A < - 0 0 13 -3,-1.8 -4,-0.0 1,-0.1 6,-0.0 -0.293 63.0-103.1 -62.1 144.7 11.7 11.1 40.9 47 47 A S > - 0 0 52 1,-0.1 3,-1.6 4,-0.1 -1,-0.1 -0.345 23.5-119.8 -67.1 149.2 11.7 8.3 38.3 48 48 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.698 115.5 60.7 -64.1 -13.5 13.0 9.2 34.8 49 49 A E T 3 S+ 0 0 164 2,-0.1 2,-0.1 0, 0.0 -3,-0.0 0.664 84.4 97.4 -85.3 -19.1 9.5 8.1 33.7 50 50 A E S < S- 0 0 108 -3,-1.6 2,-0.2 1,-0.1 -4,-0.0 -0.424 79.8-113.8 -73.7 146.1 7.8 10.8 35.7 51 51 A E - 0 0 174 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.562 31.6-115.9 -79.8 143.0 6.7 14.1 34.0 52 52 A L - 0 0 32 -2,-0.2 -10,-0.2 1,-0.1 2,-0.2 -0.439 25.5-115.4 -78.2 151.3 8.5 17.3 35.2 53 53 A A E -F 41 0B 39 -12,-3.9 -12,-2.0 -2,-0.1 2,-0.4 -0.489 28.7-130.8 -82.2 156.5 6.6 20.1 36.8 54 54 A H E +F 40 0B 122 -14,-0.2 2,-0.3 -2,-0.2 -14,-0.2 -0.912 26.0 172.1-116.9 138.8 6.3 23.5 35.1 55 55 A A E -F 39 0B 11 -16,-1.7 -16,-3.2 -2,-0.4 2,-0.5 -0.935 22.0-144.6-145.5 117.3 7.0 27.0 36.4 56 56 A L E -F 38 0B 99 -2,-0.3 2,-0.7 -18,-0.2 16,-0.3 -0.707 13.9-148.0 -85.1 126.4 7.1 30.1 34.3 57 57 A A - 0 0 5 -20,-2.7 -20,-0.5 -2,-0.5 14,-0.3 -0.838 12.2-151.7 -99.2 110.8 9.7 32.7 35.4 58 58 A G E -D 70 0A 47 12,-1.0 12,-2.7 -2,-0.7 2,-0.8 -0.306 31.5 -93.0 -76.6 162.5 8.7 36.3 34.8 59 59 A K E -D 69 0A 114 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.665 40.0-176.7 -76.4 111.5 11.1 39.1 34.2 60 60 A A E - 0 0 1 8,-2.6 2,-0.3 -2,-0.8 447,-0.2 0.535 61.2 -37.6 -87.5 -7.5 11.7 40.5 37.7 61 61 A G E -D 68 0A 10 7,-1.1 7,-2.7 445,-0.1 2,-0.3 -0.966 47.7-135.5 168.5 177.6 13.9 43.3 36.4 62 62 A S E -D 67 0A 26 -2,-0.3 5,-0.2 5,-0.3 337,-0.2 -0.961 13.7-173.3-158.5 140.6 16.6 44.5 34.0 63 63 A D - 0 0 13 3,-2.1 333,-0.1 -2,-0.3 334,-0.1 -0.151 55.8 -61.1-113.7-145.8 19.7 46.6 34.4 64 64 A E S S+ 0 0 91 1,-0.1 3,-0.0 329,-0.1 329,-0.0 0.883 130.1 10.9 -72.1 -37.9 22.1 48.0 31.9 65 65 A R S S+ 0 0 62 331,-0.1 -34,-3.1 -35,-0.1 2,-0.3 0.664 119.2 54.5-115.3 -22.8 23.3 44.7 30.5 66 66 A F E -C 30 0A 20 -36,-0.3 -3,-2.1 -35,-0.1 2,-0.3 -0.763 55.0-143.1-122.7 165.4 21.0 42.0 31.8 67 67 A D E -CD 29 62A 3 -38,-2.8 -38,-1.6 -2,-0.3 2,-0.5 -0.870 23.9-147.2-111.8 146.3 17.4 40.7 32.2 68 68 A Y E -CD 28 61A 10 -7,-2.7 -8,-2.6 -2,-0.3 -7,-1.1 -0.970 10.5-164.9-123.8 117.1 16.6 38.9 35.4 69 69 A F E -CD 27 59A 6 -42,-3.7 -42,-2.5 -2,-0.5 2,-0.4 -0.798 7.0-170.2-100.7 143.2 14.0 36.1 35.4 70 70 A E E +CD 26 58A 29 -12,-2.7 -12,-1.0 -2,-0.4 2,-0.3 -0.996 7.2 174.1-138.1 137.3 12.5 34.8 38.6 71 71 A A E -C 25 0A 4 -46,-2.6 -46,-2.7 -2,-0.4 2,-0.5 -0.938 25.0-132.7-139.4 161.5 10.3 31.8 39.4 72 72 A L E -C 24 0A 52 -2,-0.3 2,-0.5 -16,-0.3 -48,-0.2 -0.972 18.9-156.0-118.2 121.1 8.8 30.0 42.3 73 73 A L E -C 23 0A 0 -50,-2.9 -50,-2.2 -2,-0.5 2,-0.9 -0.859 10.6-141.7-101.8 124.4 9.1 26.2 42.6 74 74 A E E +C 22 0A 99 -2,-0.5 2,-0.6 -52,-0.2 -52,-0.2 -0.751 25.3 178.7 -84.2 108.4 6.6 24.3 44.6 75 75 A C > + 0 0 4 -54,-3.1 3,-1.6 -2,-0.9 41,-0.1 -0.708 15.2 171.0-117.3 81.7 8.6 21.5 46.3 76 76 A S T 3 S+ 0 0 109 -2,-0.6 -1,-0.2 1,-0.3 -54,-0.1 0.780 84.3 52.0 -57.7 -28.5 6.5 19.4 48.6 77 77 A T T 3 S- 0 0 52 2,-0.2 -1,-0.3 -3,-0.1 39,-0.1 0.597 102.5-131.9 -85.5 -11.2 9.4 17.0 49.0 78 78 A K S < S+ 0 0 29 -3,-1.6 38,-2.0 1,-0.2 2,-0.4 0.655 82.0 94.2 69.0 14.1 11.8 19.7 50.0 79 79 A R + 0 0 14 36,-0.2 2,-0.4 -58,-0.1 -35,-0.4 -0.991 55.2 177.4-137.3 125.4 14.3 18.2 47.5 80 80 A V E - G 0 113B 2 33,-1.9 33,-3.0 -2,-0.4 2,-0.4 -0.989 22.2-175.2-142.5 142.9 14.4 19.6 43.9 81 81 A K E +EG 42 112B 48 -39,-2.4 -39,-2.0 -2,-0.4 2,-0.3 -0.967 26.1 171.4-124.8 141.6 16.3 19.1 40.6 82 82 A Y E -EG 41 111B 1 29,-2.5 29,-3.3 -2,-0.4 2,-0.3 -0.987 24.6-158.0-154.2 162.2 15.6 21.5 37.7 83 83 A V E -E 40 0B 2 -43,-2.2 -43,-2.8 -2,-0.3 2,-0.3 -0.987 23.2-125.3-140.5 145.6 16.5 22.7 34.3 84 84 A F E -EH 39 96B 2 12,-2.9 12,-2.5 -2,-0.3 2,-0.6 -0.722 9.8-156.0 -95.8 144.1 15.8 25.9 32.5 85 85 A L E -EH 38 95B 26 -47,-2.9 -47,-2.3 -2,-0.3 2,-0.5 -0.963 16.8-170.1-117.9 109.0 14.1 26.2 29.1 86 86 A L E -EH 37 94B 0 8,-2.7 8,-2.4 -2,-0.6 2,-0.5 -0.893 5.1-162.2-107.1 126.9 15.1 29.5 27.4 87 87 A T E -EH 36 93B 34 -51,-2.5 -52,-2.7 -2,-0.5 -51,-1.3 -0.924 9.6-146.1-111.5 126.0 13.3 30.7 24.3 88 88 A G > - 0 0 3 4,-2.8 3,-1.4 -2,-0.5 -54,-0.2 -0.200 34.7 -93.6 -79.2 175.1 14.9 33.4 22.1 89 89 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -55,-0.1 0.852 127.3 48.9 -57.3 -38.7 13.0 36.1 20.1 90 90 A Q T 3 S- 0 0 178 1,-0.0 -3,-0.0 2,-0.0 -2,-0.0 0.503 128.7 -97.8 -81.2 -4.6 13.0 33.9 16.9 91 91 A G < + 0 0 48 -3,-1.4 -1,-0.0 1,-0.3 2,-0.0 0.508 67.7 160.6 100.4 5.4 11.7 31.0 18.9 92 92 A E - 0 0 101 -5,-0.1 -4,-2.8 1,-0.1 2,-0.5 -0.355 25.3-153.1 -59.5 139.4 15.1 29.3 19.5 93 93 A A E +H 87 0B 50 -6,-0.2 2,-0.4 2,-0.0 -6,-0.2 -0.975 18.7 171.5-125.0 125.5 14.9 26.9 22.4 94 94 A V E -H 86 0B 9 -8,-2.4 -8,-2.7 -2,-0.5 2,-0.3 -0.997 23.9-137.9-134.6 136.5 17.9 25.9 24.6 95 95 A Y E -HI 85 102B 48 7,-3.0 7,-1.7 -2,-0.4 2,-0.4 -0.718 17.1-163.6 -91.8 142.1 18.0 23.9 27.8 96 96 A F E +HI 84 101B 8 -12,-2.5 -12,-2.9 -2,-0.3 2,-0.2 -0.967 23.4 140.6-132.2 116.8 20.3 25.1 30.6 97 97 A G - 0 0 0 3,-2.4 3,-0.3 -2,-0.4 13,-0.2 -0.748 66.9 -72.4-139.5-173.4 21.3 22.9 33.6 98 98 A E S S+ 0 0 33 -16,-0.3 11,-0.2 1,-0.2 3,-0.1 0.835 129.3 51.9 -55.1 -35.3 24.3 22.1 35.8 99 99 A T S S- 0 0 45 9,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.892 118.2-105.7 -70.1 -40.3 25.9 20.3 32.9 100 100 A G - 0 0 8 8,-1.7 -3,-2.4 -3,-0.3 2,-0.3 -0.999 50.6 -28.8 152.5-149.8 25.5 23.1 30.5 101 101 A F E +I 96 0B 40 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.784 55.8 148.6-107.0 151.1 23.5 24.2 27.5 102 102 A S E -I 95 0B 26 -7,-1.7 -7,-3.0 -2,-0.3 6,-0.1 -0.904 53.2-127.7-176.1 147.3 21.9 22.0 24.8 103 103 A A S S+ 0 0 80 -2,-0.3 2,-0.6 -9,-0.2 -1,-0.1 0.696 102.3 74.6 -71.2 -18.2 18.9 21.8 22.5 104 104 A E S >> S- 0 0 111 1,-0.2 4,-0.8 -9,-0.1 3,-0.6 -0.872 79.0-147.6 -99.5 119.9 18.4 18.4 24.2 105 105 A R H >> S+ 0 0 111 -2,-0.6 3,-1.6 1,-0.2 4,-0.7 0.904 94.4 53.4 -50.7 -53.4 17.1 18.6 27.7 106 106 A S H >4 S+ 0 0 94 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.832 105.2 55.2 -55.1 -35.6 18.9 15.5 29.1 107 107 A K H <4 S+ 0 0 96 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.698 98.0 63.1 -73.7 -16.9 22.2 16.8 27.9 108 108 A A H << S- 0 0 0 -3,-1.6 -8,-1.7 -4,-0.8 -9,-1.2 0.720 95.7-154.1 -77.5 -21.3 21.7 20.1 29.8 109 109 A G << - 0 0 13 -3,-0.8 2,-0.4 -4,-0.7 -1,-0.2 -0.243 18.4 -81.9 74.8-170.6 21.7 18.2 33.1 110 110 A V - 0 0 50 -13,-0.2 -27,-0.2 -27,-0.1 2,-0.2 -0.995 22.9-130.6-138.1 141.5 19.9 19.5 36.1 111 111 A F E -G 82 0B 15 -29,-3.3 -29,-2.5 -2,-0.4 2,-0.4 -0.553 32.0-147.7 -79.0 154.6 20.7 22.0 38.9 112 112 A Q E -G 81 0B 40 -31,-0.2 2,-0.8 -2,-0.2 -31,-0.2 -0.987 25.3-168.2-135.0 131.0 20.0 20.5 42.3 113 113 A Y E -G 80 0B 38 -33,-3.0 -33,-1.9 -2,-0.4 -69,-0.1 -0.878 25.0-157.9-110.4 89.9 18.9 22.1 45.5 114 114 A A - 0 0 5 -2,-0.8 2,-0.3 -35,-0.2 -1,-0.2 0.821 58.9 -14.0 -35.9 -60.8 19.6 19.1 47.7 115 115 A Y - 0 0 9 799,-0.2 2,-0.8 -36,-0.1 -36,-0.2 -0.993 51.3-136.4-155.1 144.0 17.3 19.8 50.7 116 116 A I - 0 0 2 -38,-2.0 2,-0.4 -2,-0.3 5,-0.1 -0.853 24.6-165.3-104.0 100.2 15.3 22.6 52.2 117 117 A H > - 0 0 6 -2,-0.8 3,-2.5 1,-0.1 4,-0.4 -0.724 21.4-137.3 -86.6 129.7 15.8 22.6 55.9 118 118 A R G > S+ 0 0 130 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.861 104.5 61.1 -52.5 -36.1 13.3 24.8 57.9 119 119 A S G 3 S+ 0 0 75 1,-0.3 -1,-0.3 -99,-0.0 -2,-0.0 0.635 102.2 52.3 -67.7 -12.6 16.2 26.1 60.0 120 120 A E G < S+ 0 0 51 -3,-2.5 2,-0.8 2,-0.1 -1,-0.3 0.430 76.7 113.0-104.2 0.7 17.8 27.5 56.9 121 121 A V S < S- 0 0 18 -3,-1.4 -103,-0.1 -4,-0.4 244,-0.1 -0.646 79.3-115.3 -76.6 112.8 14.8 29.5 55.6 122 122 A F - 0 0 10 -2,-0.8 2,-0.4 -105,-0.4 243,-0.1 -0.249 43.0-179.1 -49.9 118.6 15.8 33.1 56.0 123 123 A T - 0 0 93 242,-0.4 -1,-0.0 285,-0.0 -105,-0.0 -0.991 8.1-174.4-131.6 130.5 13.5 34.6 58.6 124 124 A T - 0 0 24 -2,-0.4 2,-0.1 226,-0.0 226,-0.1 -0.812 40.9 -81.6-119.1 159.8 13.4 38.2 59.8 125 125 A P >> - 0 0 1 0, 0.0 3,-1.0 0, 0.0 4,-0.6 -0.397 37.5-134.1 -61.8 127.7 11.4 40.0 62.6 126 126 A E G >4 S+ 0 0 143 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.830 101.3 54.4 -51.9 -39.5 7.9 40.9 61.3 127 127 A W G >4 S+ 0 0 40 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.786 92.8 70.7 -68.6 -29.7 8.0 44.5 62.6 128 128 A A G X4 S+ 0 0 3 -3,-1.0 3,-0.9 1,-0.2 -1,-0.2 0.776 88.8 63.9 -59.5 -29.0 11.3 45.4 61.0 129 129 A K G << S+ 0 0 19 -3,-0.7 -1,-0.2 -4,-0.6 319,-0.2 0.865 109.8 36.1 -64.9 -38.4 9.7 45.4 57.5 130 130 A E G < S+ 0 0 87 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.132 94.2 119.4-104.9 23.2 7.4 48.3 58.3 131 131 A A < - 0 0 1 -3,-0.9 2,-0.5 -4,-0.1 56,-0.1 -0.464 48.6-156.0 -88.4 157.9 9.7 50.3 60.5 132 132 A V - 0 0 0 -2,-0.1 56,-2.5 317,-0.1 57,-1.2 -0.965 22.7-154.1-130.2 109.0 11.0 53.9 60.1 133 133 A I E -jk 189 451C 0 317,-2.3 319,-2.9 -2,-0.5 2,-0.5 -0.667 9.2-159.2 -93.5 145.3 14.3 54.2 62.0 134 134 A Y E -jk 190 452C 0 55,-2.3 57,-2.6 -2,-0.3 2,-0.5 -0.985 16.6-138.1-120.5 124.7 15.7 57.5 63.4 135 135 A Q E -jk 191 453C 0 317,-3.7 319,-1.7 -2,-0.5 2,-0.5 -0.755 15.6-162.2 -90.9 126.6 19.5 57.5 64.1 136 136 A I E -j 192 0C 0 55,-3.3 57,-1.9 -2,-0.5 3,-0.1 -0.925 15.2-167.0-111.2 120.3 20.5 59.3 67.3 137 137 A F >> - 0 0 1 -2,-0.5 3,-2.3 55,-0.2 4,-0.5 -0.858 22.8-157.4-100.6 89.5 24.1 60.4 67.8 138 138 A P H >> S+ 0 0 1 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.731 82.0 61.6 -41.0 -41.8 23.5 60.9 71.6 139 139 A E H 34 S+ 0 0 1 62,-0.3 31,-2.2 1,-0.2 29,-0.4 0.728 118.6 30.9 -64.4 -17.5 26.3 63.4 72.3 140 140 A R H <4 S+ 0 0 0 -3,-2.3 332,-2.8 29,-0.2 -1,-0.2 0.333 103.3 75.5-123.2 6.6 24.7 65.8 69.8 141 141 A F H << S- 0 0 0 -3,-0.7 2,-0.3 -4,-0.5 -2,-0.1 0.967 105.9 -19.2 -85.0 -60.4 20.9 65.1 70.0 142 142 A A < - 0 0 5 -4,-0.6 29,-3.0 29,-0.2 2,-1.2 -0.931 45.1-145.2-156.3 129.6 19.6 66.7 73.2 143 143 A N + 0 0 49 -2,-0.3 27,-0.2 27,-0.3 29,-0.1 -0.740 32.7 158.3 -94.2 89.0 21.2 67.9 76.5 144 144 A G S S+ 0 0 22 -2,-1.2 -1,-0.2 1,-0.2 26,-0.1 0.700 70.3 42.2 -84.5 -19.7 18.5 67.0 79.0 145 145 A D > - 0 0 53 24,-0.4 3,-1.2 -3,-0.2 -1,-0.2 -0.836 59.8-178.9-130.9 95.3 20.9 67.0 82.0 146 146 A P G > S+ 0 0 95 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.677 76.7 71.9 -66.9 -15.6 23.5 69.7 82.0 147 147 A S G 3 S+ 0 0 105 1,-0.2 68,-0.0 68,-0.0 -2,-0.0 0.714 96.1 49.0 -74.8 -19.4 25.0 68.4 85.3 148 148 A N G < S+ 0 0 29 -3,-1.2 -1,-0.2 67,-0.1 69,-0.1 0.280 81.9 136.7-101.3 10.9 26.6 65.4 83.6 149 149 A D < - 0 0 44 -3,-1.0 3,-0.1 -4,-0.1 4,-0.1 -0.261 56.8-112.1 -61.1 141.7 28.2 67.4 80.7 150 150 A P > - 0 0 11 0, 0.0 3,-0.9 0, 0.0 2,-0.1 -0.059 45.7 -77.4 -64.9 172.8 31.8 66.5 79.7 151 151 A P T 3 S+ 0 0 113 0, 0.0 16,-0.0 0, 0.0 0, 0.0 -0.466 114.9 16.2 -73.9 145.2 34.6 69.0 80.3 152 152 A G T 3 S- 0 0 69 1,-0.2 15,-0.4 -2,-0.1 2,-0.1 0.813 82.6-177.3 63.4 30.3 35.0 71.9 77.9 153 153 A T < - 0 0 44 -3,-0.9 15,-0.2 13,-0.1 -1,-0.2 -0.406 17.2-137.2 -61.3 134.5 31.4 71.4 76.6 154 154 A E - 0 0 62 13,-3.2 2,-0.1 1,-0.1 -1,-0.1 -0.457 29.0 -72.4 -94.2 167.9 30.8 74.0 73.9 155 155 A Q - 0 0 166 -2,-0.1 2,-1.6 1,-0.1 -1,-0.1 -0.335 39.1-128.4 -61.9 130.6 27.8 76.2 73.1 156 156 A W + 0 0 75 -2,-0.1 2,-0.3 12,-0.1 -1,-0.1 -0.630 58.1 141.4 -81.0 88.2 24.8 74.4 71.7 157 157 A A > - 0 0 28 -2,-1.6 3,-2.0 1,-0.1 316,-0.0 -0.952 65.9-120.5-137.5 156.5 24.2 76.6 68.7 158 158 A K T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.3 315,-0.1 0.757 114.8 53.9 -60.4 -27.5 23.2 76.6 65.0 159 159 A D T 3 S+ 0 0 119 2,-0.0 -1,-0.3 311,-0.0 2,-0.1 0.275 81.0 132.5 -93.1 11.6 26.6 78.1 64.1 160 160 A A < - 0 0 10 -3,-2.0 -4,-0.0 311,-0.1 310,-0.0 -0.384 39.2-165.7 -66.1 138.7 28.5 75.4 65.9 161 161 A R - 0 0 130 -2,-0.1 306,-0.1 309,-0.1 -1,-0.1 -0.795 18.0-145.2-127.8 86.7 31.4 73.8 64.0 162 162 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 308,-0.1 -0.085 7.2-151.8 -53.5 146.2 32.5 70.6 65.9 163 163 A R > - 0 0 125 303,-0.1 3,-1.8 304,-0.0 302,-0.0 -0.681 38.1 -94.7-110.7 168.2 36.1 69.5 66.0 164 164 A H T 3 S+ 0 0 131 1,-0.3 37,-0.3 -2,-0.2 301,-0.0 0.734 127.2 38.7 -56.9 -22.7 37.2 65.8 66.4 165 165 A D T 3 S+ 0 0 102 35,-0.1 -1,-0.3 36,-0.1 2,-0.1 0.138 89.5 126.5-116.6 20.8 37.4 66.3 70.1 166 166 A S < - 0 0 1 -3,-1.8 2,-0.3 -13,-0.0 -13,-0.1 -0.347 37.3-163.6 -79.3 158.5 34.4 68.5 70.8 167 167 A F + 0 0 31 -15,-0.4 -13,-3.2 -2,-0.1 -27,-0.1 -0.989 16.8 174.9-138.9 144.4 31.6 67.9 73.3 168 168 A Y - 0 0 3 -29,-0.4 -12,-0.1 -2,-0.3 -25,-0.1 0.433 52.7-108.4-127.2 -8.3 28.1 69.6 73.5 169 169 A G + 0 0 0 1,-0.2 -24,-0.4 -21,-0.1 -29,-0.2 0.552 52.5 166.0 93.8 8.6 26.5 67.6 76.4 170 170 A G + 0 0 0 -31,-2.2 -27,-0.3 -27,-0.2 2,-0.3 -0.269 15.1 166.0 -57.7 143.8 23.9 65.5 74.6 171 171 A D > - 0 0 0 -29,-3.0 4,-1.5 1,-0.1 -29,-0.2 -0.911 50.7 -94.4-151.6 178.3 22.5 62.7 76.8 172 172 A L H > S+ 0 0 0 44,-1.9 4,-2.1 -2,-0.3 5,-0.1 0.805 117.5 59.6 -69.0 -32.2 19.9 60.0 77.3 173 173 A K H > S+ 0 0 83 43,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.916 103.9 53.0 -63.2 -40.2 17.7 62.3 79.5 174 174 A G H > S+ 0 0 1 -32,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.930 105.4 52.9 -59.8 -45.6 17.5 64.6 76.5 175 175 A V H < S+ 0 0 0 -4,-1.5 4,-0.3 -33,-0.4 3,-0.3 0.925 108.2 51.6 -55.7 -44.2 16.3 61.8 74.2 176 176 A I H >< S+ 0 0 10 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.904 108.2 51.8 -59.6 -41.0 13.6 61.1 76.8 177 177 A D H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 111.3 47.9 -65.7 -30.0 12.6 64.7 76.7 178 178 A R T 3X S+ 0 0 83 -4,-1.9 4,-2.3 -3,-0.3 3,-0.4 0.323 78.3 102.7 -94.9 9.6 12.3 64.7 72.9 179 179 A L H <> S+ 0 0 0 -3,-1.2 4,-2.9 -4,-0.3 5,-0.2 0.880 78.1 56.4 -59.7 -36.8 10.3 61.5 72.6 180 180 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.885 109.1 48.2 -61.9 -34.5 7.1 63.5 71.9 181 181 A Y H > S+ 0 0 18 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.928 112.4 46.9 -67.7 -48.4 8.9 65.0 69.0 182 182 A L H X>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 4,-1.3 0.886 113.5 49.6 -61.4 -40.1 10.1 61.7 67.7 183 183 A E H <5S+ 0 0 98 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.871 108.3 52.9 -67.0 -38.6 6.6 60.3 68.1 184 184 A E H <5S+ 0 0 88 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.919 105.4 54.5 -62.8 -43.5 5.1 63.2 66.3 185 185 A L H <5S- 0 0 2 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.845 116.6-119.2 -58.6 -33.8 7.5 62.6 63.4 186 186 A G T <5 + 0 0 19 -4,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.563 52.5 162.9 104.2 11.6 6.2 59.1 63.3 187 187 A V < - 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0 0 0 -2,-0.5 3,-2.6 55,-0.2 4,-0.4 -0.858 22.2-152.7-101.3 90.7 32.4 -3.0 50.8 724 138 B P G >> S+ 0 0 1 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.737 85.7 60.2 -32.9 -53.4 32.9 -5.4 53.8 725 139 B E G 34 S+ 0 0 1 62,-0.4 31,-1.8 1,-0.2 29,-0.5 0.658 118.7 32.0 -59.4 -13.5 30.2 -8.0 53.1 726 140 B R G <4 S+ 0 0 0 -3,-2.6 332,-2.3 29,-0.1 -1,-0.2 0.335 100.7 76.3-127.3 7.4 32.0 -8.7 49.8 727 141 B F T <4 S- 0 0 0 -3,-1.2 2,-0.3 -4,-0.4 -2,-0.1 0.941 106.8 -22.1 -86.3 -52.3 35.7 -8.2 50.3 728 142 B A < - 0 0 5 -4,-0.7 29,-2.7 29,-0.2 2,-1.2 -0.872 44.0-142.6-165.2 129.0 36.9 -11.3 52.2 729 143 B N + 0 0 49 27,-0.3 27,-0.2 -2,-0.3 29,-0.1 -0.769 32.2 161.9 -92.5 92.6 35.3 -13.9 54.5 730 144 B G S S+ 0 0 15 -2,-1.2 -1,-0.2 1,-0.3 26,-0.1 0.664 71.6 33.5 -86.1 -16.4 38.0 -14.4 57.0 731 145 B D > - 0 0 56 24,-0.4 3,-1.6 -3,-0.2 -1,-0.3 -0.784 58.3-176.8-142.9 94.5 35.7 -16.1 59.5 732 146 B P G > S+ 0 0 88 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.632 77.1 78.9 -66.3 -11.4 32.8 -18.3 58.2 733 147 B S G 3 S+ 0 0 101 1,-0.2 68,-0.0 68,-0.0 -2,-0.0 0.691 96.6 44.1 -71.3 -16.7 31.6 -18.8 61.8 734 148 B N G < S+ 0 0 31 -3,-1.6 -1,-0.2 67,-0.1 69,-0.1 0.374 84.9 130.5-105.6 2.0 30.0 -15.4 61.8 735 149 B D < - 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