==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-NOV-07 3BC9 . COMPND 2 MOLECULE: ALPHA AMYLASE, CATALYTIC REGION; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOTHERMOTHRIX ORENII; . AUTHOR T.-C.TAN,B.N.MIJTS,K.SWAMINATHAN,B.K.C.PATEL,C.DIVNE . 585 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 55 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 1 1 0 0 0 2 1 0 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 5 2 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 . 4 4 3 3 3 1 1 0 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 0 2 1 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 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 15 A S 0 0 129 0, 0.0 2,-0.6 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 148.6 -8.2 13.2 27.4 2 16 A L + 0 0 20 83,-0.1 2,-0.3 25,-0.1 83,-0.0 -0.851 360.0 136.3 -96.5 121.5 -7.1 10.2 29.5 3 17 A F - 0 0 110 -2,-0.6 24,-2.4 83,-0.1 2,-0.6 -0.957 57.9 -92.5-153.1 166.2 -4.2 8.3 28.0 4 18 A L E -A 26 0A 46 -2,-0.3 22,-0.3 22,-0.2 3,-0.1 -0.758 30.2-172.0 -85.8 123.5 -1.0 6.6 29.3 5 19 A I E - 0 0 94 20,-2.4 2,-0.3 -2,-0.6 21,-0.2 0.910 64.0 -29.9 -78.2 -50.1 2.0 9.1 29.1 6 20 A E E -A 25 0A 115 19,-1.5 19,-2.6 2,-0.0 -1,-0.3 -0.982 52.9-147.6-161.2 165.0 4.7 6.6 29.9 7 21 A S E -A 24 0A 11 -2,-0.3 17,-0.2 17,-0.2 4,-0.0 -0.985 23.3-114.4-137.8 153.5 5.5 3.4 31.8 8 22 A E E S+A 23 0A 135 15,-2.5 15,-2.8 -2,-0.3 2,-0.2 -0.973 112.1 32.0-125.5 110.1 8.5 1.9 33.6 9 23 A P S S- 0 0 14 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.563 103.9-131.2 -73.8 161.4 9.2 -0.5 32.1 10 24 A S > - 0 0 66 -2,-0.2 3,-2.2 1,-0.1 -2,-0.1 -0.498 38.5 -84.9 -72.2 149.8 8.3 0.7 28.6 11 25 A T T 3 S+ 0 0 77 1,-0.3 81,-0.2 -2,-0.2 -1,-0.1 -0.310 117.6 26.5 -58.2 140.6 6.2 -1.7 26.6 12 26 A G T 3 S+ 0 0 23 79,-3.1 -1,-0.3 1,-0.3 80,-0.2 0.282 91.8 140.1 88.7 -6.4 8.4 -4.1 24.8 13 27 A A E < -d 92 0B 16 -3,-2.2 80,-2.3 78,-0.5 2,-0.5 -0.229 51.4-132.4 -66.1 153.9 11.3 -3.9 27.3 14 28 A S E -d 93 0B 33 78,-0.2 2,-0.3 464,-0.1 80,-0.2 -0.941 35.4-175.0-101.3 131.6 13.5 -6.7 28.6 15 29 A V E -d 94 0B 16 78,-2.6 80,-3.0 -2,-0.5 2,-0.2 -0.850 27.7-100.3-127.4 157.3 13.7 -6.5 32.4 16 30 A S > - 0 0 50 -2,-0.3 3,-2.0 78,-0.2 50,-0.1 -0.499 28.7-124.1 -70.6 145.6 15.6 -8.1 35.3 17 31 A K T 3 S+ 0 0 85 1,-0.3 49,-0.6 78,-0.2 -1,-0.1 0.705 110.9 70.1 -60.0 -18.1 13.7 -10.7 37.3 18 32 A N T 3 + 0 0 125 47,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.528 67.6 125.1 -77.2 -4.4 14.7 -8.5 40.2 19 33 A L < - 0 0 48 -3,-2.0 47,-0.3 1,-0.2 45,-0.1 -0.306 37.9-176.2 -57.2 131.1 12.2 -5.8 39.0 20 34 A T + 0 0 86 1,-0.2 43,-0.5 45,-0.1 44,-0.4 0.664 56.7 25.8-107.9 -19.4 9.9 -5.0 42.0 21 35 A E E - B 0 62A 82 41,-0.2 2,-0.4 42,-0.1 -1,-0.2 -0.988 54.3-146.5-146.9 153.9 7.4 -2.6 40.6 22 36 A I E - B 0 61A 0 39,-2.5 39,-3.1 -2,-0.3 2,-0.5 -0.973 21.5-154.7-111.6 132.8 5.7 -1.4 37.4 23 37 A I E -AB 8 60A 25 -15,-2.8 -15,-2.5 -2,-0.4 2,-0.4 -0.957 7.6-169.2-113.0 124.3 4.9 2.4 37.2 24 38 A L E -AB 7 59A 1 35,-2.7 35,-2.5 -2,-0.5 2,-0.5 -0.957 5.0-162.0-109.2 132.3 2.1 3.7 35.0 25 39 A I E -AB 6 58A 21 -19,-2.6 -20,-2.4 -2,-0.4 -19,-1.5 -0.969 10.7-165.6-118.8 119.1 1.9 7.4 34.4 26 40 A F E -A 4 0A 0 31,-3.0 -22,-0.2 -2,-0.5 31,-0.1 -0.585 30.7-118.9-103.3 162.5 -1.4 8.8 33.1 27 41 A S S S+ 0 0 31 -24,-2.4 2,-0.3 -2,-0.2 -23,-0.1 0.702 97.6 32.1 -73.4 -24.7 -2.4 12.1 31.7 28 42 A N S S- 0 0 31 -25,-0.2 -2,-0.2 29,-0.1 2,-0.1 -0.895 99.9 -83.8-128.1 160.8 -5.0 12.8 34.4 29 43 A D - 0 0 79 -2,-0.3 52,-2.0 1,-0.1 2,-0.4 -0.389 48.3-126.7 -62.0 144.8 -5.2 12.0 38.1 30 44 A I E -E 80 0B 11 26,-2.4 50,-0.3 50,-0.3 26,-0.2 -0.815 25.8-178.3-105.1 130.3 -6.7 8.5 38.7 31 45 A N E S+ 0 0 110 48,-2.5 2,-0.3 -2,-0.4 49,-0.2 0.844 70.4 8.6 -90.8 -43.6 -9.6 7.9 40.9 32 46 A K E -E 79 0B 138 47,-2.0 47,-2.6 3,-0.0 2,-0.7 -0.997 50.4-145.0-141.9 143.5 -9.9 4.1 40.6 33 47 A V E -E 78 0B 10 -2,-0.3 45,-0.2 45,-0.2 3,-0.1 -0.949 26.2-179.4 -97.8 107.0 -8.1 1.1 39.2 34 48 A S E + 0 0 64 43,-1.9 2,-0.3 -2,-0.7 44,-0.2 0.908 63.4 9.6 -75.5 -39.4 -11.1 -1.0 38.2 35 49 A Q E +E 77 0B 115 42,-1.6 42,-2.1 -3,-0.1 2,-0.3 -0.986 62.4 171.1-147.1 142.8 -9.2 -4.0 36.8 36 50 A L E +E 76 0B 35 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.931 2.9 168.3-155.7 131.6 -5.6 -5.1 36.9 37 51 A A E -E 75 0B 12 38,-2.1 38,-2.6 -2,-0.3 2,-0.6 -0.996 23.0-155.2-146.0 141.5 -3.9 -8.3 35.9 38 52 A L E -E 74 0B 0 9,-0.4 9,-3.1 -2,-0.3 2,-0.5 -0.981 29.2-165.3-112.3 113.4 -0.3 -9.5 35.3 39 53 A T E -EF 73 46B 12 34,-3.1 34,-2.2 -2,-0.6 2,-0.7 -0.899 24.5-140.1-112.6 127.6 -0.5 -12.3 33.0 40 54 A D E >> -EF 72 45B 8 5,-2.8 5,-1.6 -2,-0.5 4,-1.3 -0.739 22.2-159.7 -75.9 112.3 2.2 -14.9 32.1 41 55 A L T 45S+ 0 0 30 30,-2.4 -1,-0.1 -2,-0.7 31,-0.1 0.640 81.5 56.3 -78.5 -14.1 1.5 -15.1 28.4 42 56 A I T 45S+ 0 0 54 29,-0.5 -1,-0.2 1,-0.1 515,-0.1 0.909 121.6 26.5 -84.9 -42.5 3.1 -18.5 27.8 43 57 A T T 45S- 0 0 85 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.532 101.9-128.1 -92.4 -9.1 1.0 -20.4 30.3 44 58 A D T <5 + 0 0 133 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.932 59.1 143.5 57.5 51.7 -2.0 -18.0 30.1 45 59 A S E < -F 40 0B 53 -5,-1.6 -5,-2.8 3,-0.0 2,-0.4 -0.976 48.7-135.8-124.1 134.0 -2.0 -17.5 33.9 46 60 A D E -F 39 0B 85 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.708 29.6-119.4 -85.4 134.4 -2.8 -14.4 35.9 47 61 A I > - 0 0 47 -9,-3.1 3,-0.7 -2,-0.4 -9,-0.4 -0.595 30.0-135.5 -77.1 122.7 -0.4 -13.9 38.8 48 62 A Q T 3 S+ 0 0 161 -2,-0.4 -1,-0.1 1,-0.2 -11,-0.0 -0.454 76.7 28.2 -78.3 146.9 -2.4 -13.9 42.1 49 63 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.494 72.1 156.1 87.9 8.5 -1.8 -11.4 44.9 50 64 A I < - 0 0 31 -3,-0.7 2,-0.3 -12,-0.1 -1,-0.2 -0.295 24.9-156.0 -66.6 149.1 -0.5 -8.4 42.9 51 65 A D E -C 62 0A 84 11,-2.5 11,-2.2 2,-0.0 2,-0.3 -0.846 9.4-165.7-120.8 161.5 -1.0 -5.0 44.6 52 66 A Y E -C 61 0A 108 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.976 6.7-162.4-142.3 160.8 -1.3 -1.4 43.4 53 67 A N E -C 60 0A 86 7,-1.9 7,-2.7 -2,-0.3 2,-0.5 -0.992 14.6-141.2-139.7 139.5 -1.2 2.1 44.9 54 68 A I E +C 59 0A 48 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.889 19.3 175.0-101.7 130.7 -2.5 5.3 43.3 55 69 A E E > -C 58 0A 120 3,-2.8 3,-1.9 -2,-0.5 2,-0.5 -0.824 64.5 -65.4-133.7 88.8 -0.4 8.5 43.7 56 70 A G T 3 S- 0 0 39 -2,-0.3 -26,-2.4 1,-0.3 -28,-0.1 -0.534 120.6 -11.1 70.4-118.6 -2.0 11.3 41.7 57 71 A N T 3 S+ 0 0 48 -2,-0.5 -31,-3.0 -28,-0.3 2,-0.4 0.306 121.9 91.4 -96.1 8.8 -1.7 10.3 38.1 58 72 A K E < -BC 25 55A 85 -3,-1.9 -3,-2.8 -33,-0.2 2,-0.5 -0.829 54.7-164.0-107.8 141.4 0.7 7.4 38.8 59 73 A V E -BC 24 54A 1 -35,-2.5 -35,-2.7 -2,-0.4 2,-0.5 -0.993 7.3-160.8-121.0 125.8 -0.2 3.8 39.5 60 74 A I E -BC 23 53A 20 -7,-2.7 -7,-1.9 -2,-0.5 2,-0.5 -0.935 6.7-166.6-108.6 124.0 2.5 1.6 41.1 61 75 A I E +BC 22 52A 0 -39,-3.1 -39,-2.5 -2,-0.5 -9,-0.2 -0.939 24.4 133.0-114.9 132.5 2.0 -2.1 40.7 62 76 A N E +BC 21 51A 53 -11,-2.2 -11,-2.5 -2,-0.5 -41,-0.2 -0.725 21.0 98.9-153.9-160.9 4.0 -4.6 42.8 63 77 A N + 0 0 99 -43,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.860 67.0 119.2 68.9 43.4 3.9 -7.7 44.9 64 78 A F - 0 0 25 -44,-0.4 2,-0.5 -45,-0.1 -1,-0.2 -0.957 56.2-141.7-137.5 153.8 5.0 -10.1 42.2 65 79 A S - 0 0 93 -2,-0.3 2,-0.1 -3,-0.1 -47,-0.1 -0.946 24.5-147.5-117.6 104.3 7.8 -12.5 41.4 66 80 A L - 0 0 3 -49,-0.6 6,-0.0 -2,-0.5 -49,-0.0 -0.451 7.5-135.2 -73.8 142.5 8.9 -12.5 37.8 67 81 A E > - 0 0 93 -2,-0.1 3,-1.7 1,-0.0 27,-0.3 -0.855 27.7-108.4 -98.8 128.9 10.2 -15.7 36.1 68 82 A P T 3 S+ 0 0 33 0, 0.0 28,-0.2 0, 0.0 27,-0.2 -0.276 100.7 16.2 -54.4 140.8 13.3 -15.4 33.9 69 83 A T T 3 S+ 0 0 14 25,-2.0 2,-0.2 1,-0.2 27,-0.1 0.248 96.2 130.2 79.0 -6.4 12.6 -15.8 30.1 70 84 A C < - 0 0 14 -3,-1.7 24,-2.0 25,-0.2 2,-0.4 -0.545 53.5-137.6 -87.2 146.1 8.8 -15.2 30.5 71 85 A N E - G 0 93B 2 -2,-0.2 -30,-2.4 22,-0.2 -29,-0.5 -0.829 28.1-172.0 -95.7 131.1 6.7 -12.8 28.5 72 86 A Y E -EG 40 92B 2 20,-2.9 20,-2.2 -2,-0.4 2,-0.4 -0.919 18.0-155.9-124.1 154.8 4.2 -10.9 30.6 73 87 A R E -EG 39 91B 90 -34,-2.2 -34,-3.1 -2,-0.3 2,-0.7 -0.997 5.4-157.6-126.7 129.2 1.3 -8.5 30.0 74 88 A L E -EG 38 90B 0 16,-2.6 16,-2.2 -2,-0.4 2,-0.3 -0.945 19.1-170.7-101.2 109.5 0.1 -6.0 32.5 75 89 A S E +EG 37 89B 36 -38,-2.6 -38,-2.1 -2,-0.7 2,-0.3 -0.823 7.0 177.2-103.2 141.1 -3.5 -5.1 31.7 76 90 A Y E -EG 36 88B 11 12,-2.7 12,-2.5 -2,-0.3 2,-0.4 -0.978 25.8-163.2-141.0 153.5 -5.4 -2.3 33.4 77 91 A E E +EG 35 87B 56 -42,-2.1 -43,-1.9 -2,-0.3 -42,-1.6 -0.962 27.0 179.4-133.1 121.3 -8.7 -0.5 33.4 78 92 A V E -EG 33 86B 2 8,-2.7 8,-2.6 -2,-0.4 2,-0.4 -0.856 21.3-150.0-121.6 158.5 -8.6 2.9 35.1 79 93 A I E -EG 32 85B 25 -47,-2.6 -48,-2.5 -2,-0.3 -47,-2.0 -0.997 18.6-146.9-126.4 125.4 -11.0 5.6 35.8 80 94 A D E > -E 30 0B 2 4,-2.6 3,-1.9 -2,-0.4 -50,-0.3 -0.259 34.6 -93.6 -86.6 177.8 -9.8 9.2 36.1 81 95 A I T 3 S+ 0 0 84 -52,-2.0 -51,-0.1 1,-0.3 -1,-0.1 0.571 126.0 55.6 -71.4 -8.3 -11.1 12.0 38.3 82 96 A Y T 3 S- 0 0 149 -53,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.236 120.2-107.8-100.1 10.5 -13.3 13.2 35.4 83 97 A D < + 0 0 115 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.609 69.3 148.6 70.5 15.9 -15.0 9.7 35.1 84 98 A N - 0 0 67 1,-0.0 -4,-2.6 2,-0.0 2,-0.4 -0.653 37.5-144.6 -77.0 137.5 -13.1 8.9 31.8 85 99 A H E - G 0 79B 127 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.817 16.7-174.3-103.8 140.1 -12.5 5.2 31.5 86 100 A L E - G 0 78B 40 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.4 -0.969 8.3-167.9-140.5 126.5 -9.3 3.8 29.9 87 101 A Q E + G 0 77B 144 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.907 31.2 130.0-106.2 132.8 -8.4 0.2 29.1 88 102 A G E - G 0 76B 18 -12,-2.5 -12,-2.7 -2,-0.4 2,-0.3 -0.956 31.1-151.1-163.4-177.2 -4.8 -0.7 28.2 89 103 A Y E - G 0 75B 119 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.990 7.3-147.7-153.8 166.3 -1.8 -2.8 28.7 90 104 A I E - G 0 74B 3 -16,-2.2 -16,-2.6 -2,-0.3 2,-0.3 -0.957 16.3-153.8-131.4 156.3 2.0 -3.0 28.5 91 105 A E E + G 0 73B 25 -2,-0.3 -79,-3.1 -18,-0.2 -78,-0.5 -0.937 16.7 167.7-127.1 149.3 4.1 -6.1 27.7 92 106 A F E -dG 13 72B 6 -20,-2.2 -20,-2.9 -2,-0.3 2,-0.4 -0.980 25.1-132.2-156.1 166.3 7.6 -7.0 28.7 93 107 A L E -dG 14 71B 3 -80,-2.3 -78,-2.6 -2,-0.3 2,-0.5 -0.960 20.6-130.1-126.3 141.0 10.0 -9.9 28.7 94 108 A V E -d 15 0B 0 -24,-2.0 -25,-2.0 -2,-0.4 -78,-0.2 -0.823 27.3-116.1 -95.0 133.5 12.2 -11.0 31.6 95 109 A N - 0 0 63 -80,-3.0 -78,-0.2 -2,-0.5 -25,-0.2 -0.154 33.3-100.1 -60.4 149.8 15.9 -11.6 31.1 96 110 A Q - 0 0 20 -28,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.456 28.5-163.5 -66.4 142.4 17.4 -15.0 31.5 97 111 A S S S+ 0 0 59 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.661 79.2 48.5 -98.5 -27.9 19.1 -15.4 34.9 98 112 A N S S- 0 0 130 3,-0.0 -1,-0.2 0, 0.0 3,-0.1 -0.895 77.2-171.2-122.5 97.0 21.2 -18.5 34.1 99 113 A Y - 0 0 50 -2,-0.5 420,-0.1 -3,-0.2 391,-0.0 -0.418 35.9 -84.0 -85.7 156.9 23.0 -18.1 30.8 100 114 A P - 0 0 10 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.308 45.8-120.4 -55.1 145.4 25.0 -20.8 28.8 101 115 A Q - 0 0 156 416,-0.3 416,-0.1 -3,-0.1 418,-0.1 -0.836 32.0-170.5-100.2 99.1 28.5 -21.1 30.2 102 116 A I - 0 0 9 -2,-0.9 5,-0.1 386,-0.1 414,-0.0 -0.822 30.7-109.8 -92.1 126.3 30.8 -20.3 27.4 103 117 A P >> - 0 0 72 0, 0.0 3,-2.5 0, 0.0 4,-0.7 -0.321 29.0-119.6 -53.9 135.0 34.5 -21.0 28.0 104 118 A D G >4 S+ 0 0 144 1,-0.3 3,-1.0 2,-0.2 -2,-0.0 0.840 111.9 55.9 -44.6 -42.3 36.4 -17.6 28.3 105 119 A Q G 34 S+ 0 0 189 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.605 108.7 45.9 -66.7 -16.4 38.6 -18.6 25.3 106 120 A E G <4 S+ 0 0 106 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.428 79.3 128.0-110.6 -1.6 35.6 -19.2 22.9 107 121 A V << - 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0 0 9 -5,-0.4 3,-1.9 1,-0.1 -1,-0.2 -0.914 48.6-150.0-108.0 116.9 49.4 -10.2 4.3 385 399 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.726 92.7 58.2 -58.0 -23.0 47.6 -13.0 6.2 386 400 A D T 3 S+ 0 0 54 -24,-0.0 2,-0.5 2,-0.0 -23,-0.5 0.594 79.1 108.4 -82.3 -6.9 46.8 -10.7 9.2 387 401 A L E < +m 363 0C 1 -3,-1.9 2,-0.3 -8,-0.1 -23,-0.2 -0.566 43.5 179.8 -84.0 116.0 44.9 -8.0 7.2 388 402 A R E -m 364 0C 69 -25,-2.0 -23,-3.1 -2,-0.5 2,-0.3 -0.707 11.4-153.3 -93.6 166.7 41.2 -8.0 7.7 389 403 A V E -mn 365 425C 0 35,-2.7 37,-2.4 -25,-0.3 -23,-0.2 -0.985 24.1 -97.7-142.0 154.0 38.9 -5.4 5.9 390 404 A F E - n 0 426C 4 -25,-1.8 2,-2.1 -2,-0.3 -23,-0.2 -0.422 40.6-120.2 -65.6 143.1 35.6 -3.7 6.6 391 405 A D > + 0 0 0 35,-2.7 4,-2.0 1,-0.2 37,-0.3 -0.425 48.8 157.1 -89.9 71.1 32.8 -5.5 4.7 392 406 A F H > S+ 0 0 0 -2,-2.1 4,-1.7 -25,-0.3 -1,-0.2 0.862 71.3 61.3 -58.3 -38.4 31.6 -2.7 2.5 393 407 A P H > S+ 0 0 4 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.917 104.7 47.1 -56.0 -48.4 30.1 -5.3 0.1 394 408 A L H >> S+ 0 0 0 1,-0.2 3,-1.4 2,-0.2 4,-1.3 0.925 107.4 57.5 -59.7 -40.4 27.8 -6.7 2.8 395 409 A R H 3X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.870 94.9 65.3 -61.2 -29.2 26.8 -3.1 3.7 396 410 A S H 3X S+ 0 0 44 -4,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.833 98.4 54.6 -60.5 -30.6 25.7 -2.6 0.1 397 411 A F H < S+ 0 0 42 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.927 107.9 52.5 -68.4 -44.6 21.5 -0.3 1.4 400 414 A D H >< S+ 0 0 78 -4,-1.9 3,-1.2 1,-0.3 4,-0.3 0.894 103.0 60.4 -53.1 -45.7 19.4 -2.5 -1.0 401 415 A M H >< S+ 0 0 3 -4,-2.3 3,-0.8 1,-0.2 -1,-0.3 0.683 81.6 83.3 -60.6 -17.5 17.1 -3.4 2.0 402 416 A L T << S+ 0 0 20 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.860 110.9 18.7 -58.3 -37.3 16.2 0.3 2.5 403 417 A N T < S- 0 0 143 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.209 137.8 -66.7-116.6 18.9 13.4 0.0 -0.1 404 418 A G < - 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0 0 4 -37,-0.3 38,-0.1 36,-0.2 3,-0.1 -0.971 37.1-147.2-163.4 163.6 29.3 -3.3 10.2 429 443 A V S S- 0 0 0 1,-0.5 2,-0.3 36,-0.5 -1,-0.1 0.776 79.7 -7.1-109.7 -44.4 26.2 -1.4 9.4 430 444 A D - 0 0 3 35,-0.2 -1,-0.5 14,-0.1 2,-0.2 -0.962 58.2-178.0-145.8 162.1 27.2 2.3 9.5 431 445 A N > - 0 0 2 -2,-0.3 4,-2.0 -3,-0.1 3,-0.2 -0.775 51.3 -73.3-143.9-170.6 30.2 4.4 10.4 432 446 A H T 4 S+ 0 0 1 -2,-0.2 -315,-0.1 1,-0.2 -316,-0.1 0.589 129.0 44.2 -68.6 -14.4 31.3 8.0 10.7 433 447 A D T 4 S+ 0 0 19 7,-0.1 8,-1.7 3,-0.1 9,-0.4 0.699 116.9 42.4 -97.1 -28.3 31.5 8.4 6.9 434 448 A T T 4 S+ 0 0 0 1,-0.3 2,-0.4 -3,-0.2 -2,-0.2 0.682 119.5 41.7 -94.1 -16.9 28.2 6.6 6.0 435 449 A D S < S+ 0 0 11 -4,-2.0 -318,-0.3 9,-0.1 2,-0.3 -0.781 78.7 127.4-134.9 82.5 26.1 8.1 8.7 436 450 A R - 0 0 25 -2,-0.4 4,-0.3 -3,-0.3 3,-0.1 -0.930 60.9-119.3-132.1 163.7 26.7 11.8 9.2 437 451 A D S S+ 0 0 89 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.864 93.3 11.6 -69.0 -43.5 24.6 14.7 9.3 438 452 A E S S+ 0 0 162 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 -0.997 125.6 20.8-139.4 140.0 26.0 16.7 6.4 439 453 A G S S+ 0 0 56 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.750 73.6 166.6 73.7 25.1 28.4 15.7 3.7 440 454 A S - 0 0 45 -4,-0.3 -1,-0.2 1,-0.1 -6,-0.2 -0.339 35.0-140.4 -56.0 152.2 27.8 11.9 4.2 441 455 A Y S S+ 0 0 150 -8,-1.7 2,-0.3 1,-0.1 -7,-0.1 0.374 80.4 9.2 -95.1 -4.9 29.3 9.9 1.2 442 456 A T S S- 0 0 35 -9,-0.4 2,-0.2 -8,-0.1 -1,-0.1 -0.953 96.2 -77.8-159.4 170.0 26.4 7.5 0.9 443 457 A V - 0 0 58 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.576 50.2-120.4 -73.7 148.3 22.9 7.1 2.4 444 458 A S - 0 0 26 -2,-0.2 2,-1.8 -8,-0.1 3,-0.2 -0.296 30.5 -97.9 -78.2 168.7 22.8 5.8 6.0 445 459 A I + 0 0 3 1,-0.2 4,-0.2 -16,-0.1 -1,-0.1 -0.629 59.4 162.6 -88.2 80.2 21.0 2.6 7.0 446 460 A Y + 0 0 151 -2,-1.8 2,-0.3 2,-0.1 -1,-0.2 0.541 58.7 36.7 -85.3 -5.9 18.0 4.7 8.1 447 461 A S S S+ 0 0 9 -3,-0.2 128,-0.1 1,-0.1 -44,-0.0 -0.978 116.2 17.6-145.5 148.1 15.5 1.8 8.1 448 462 A R S > S+ 0 0 22 -2,-0.3 4,-1.8 126,-0.1 3,-0.2 0.674 72.8 142.3 62.9 31.0 15.8 -1.9 9.0 449 463 A K H > + 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.845 66.9 56.6 -68.5 -38.4 19.0 -1.2 11.0 450 464 A Y H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.899 104.8 51.5 -59.3 -41.1 18.1 -3.7 13.6 451 465 A Q H > S+ 0 0 0 2,-0.2 4,-2.1 123,-0.2 -2,-0.2 0.917 109.7 50.6 -58.7 -43.3 17.8 -6.5 11.1 452 466 A A H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.913 112.4 46.4 -61.5 -48.8 21.2 -5.6 9.7 453 467 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.898 109.3 54.3 -59.7 -40.9 22.7 -5.8 13.2 454 468 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.919 108.1 50.9 -60.4 -38.4 20.9 -9.0 14.0 455 469 A Y H X S+ 0 0 1 -4,-2.1 4,-0.7 1,-0.2 3,-0.3 0.959 115.5 39.4 -63.3 -47.3 22.5 -10.5 10.8 456 470 A I H < S+ 0 0 2 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.836 114.7 52.7 -76.8 -31.2 26.1 -9.5 11.6 457 471 A L H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.739 111.9 43.9 -76.3 -23.8 25.9 -10.2 15.4 458 472 A T H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.552 88.0 115.8 -92.7 -7.2 24.6 -13.7 15.0 459 473 A R < - 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