==== 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(CARBOXYLIC ESTERASE) 02-MAR-93 1CRL . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA RUGOSA; . AUTHOR P.GROCHULSKI,M.CYGLER . 534 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.8 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 . 2 0.4 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 . 1 0.2 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 . 29 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 2 1 3 2 1 3 3 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 2 1 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 PARALLEL BRIDGES PER LADDER . 2 2 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 98 0, 0.0 2,-0.2 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 -49.6 99.8 39.2 -20.0 2 2 A P - 0 0 9 0, 0.0 12,-3.2 0, 0.0 2,-0.3 -0.537 360.0-172.0 -51.1 134.1 96.7 39.7 -22.4 3 3 A T E -A 13 0A 68 10,-0.3 2,-0.3 -2,-0.2 10,-0.2 -0.896 19.9-177.1-135.2 155.5 98.2 42.2 -24.9 4 4 A A E -A 12 0A 4 8,-1.8 8,-2.5 -2,-0.3 2,-0.7 -0.947 20.5-142.5-151.5 137.2 96.8 44.2 -27.9 5 5 A T E -A 11 0A 77 -2,-0.3 6,-0.3 190,-0.3 4,-0.0 -0.917 30.3-144.4-103.7 107.5 98.5 46.5 -30.4 6 6 A L > - 0 0 10 4,-3.1 3,-2.5 -2,-0.7 186,-0.1 -0.025 29.1 -90.5 -68.0 172.3 96.1 49.4 -31.0 7 7 A A T 3 S+ 0 0 74 1,-0.3 -1,-0.1 2,-0.2 185,-0.1 0.875 127.1 51.2 -55.6 -41.0 95.6 51.3 -34.3 8 8 A N T 3 S- 0 0 98 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.420 124.2-102.5 -79.4 7.4 98.2 53.9 -33.5 9 9 A G S < S+ 0 0 42 -3,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.563 73.9 143.4 87.1 7.4 100.7 51.1 -32.7 10 10 A D - 0 0 14 39,-0.1 -4,-3.1 -5,-0.0 2,-0.6 -0.669 40.3-147.2 -78.6 136.6 100.5 51.4 -28.9 11 11 A T E -A 5 0A 46 -2,-0.4 39,-2.5 -6,-0.3 40,-0.3 -0.932 18.7-173.2-107.6 121.5 100.7 48.0 -27.2 12 12 A I E -A 4 0A 0 -8,-2.5 -8,-1.8 -2,-0.6 2,-0.4 -0.779 16.9-135.6-115.7 159.8 98.8 47.6 -24.0 13 13 A T E -Ab 3 52A 41 38,-2.5 40,-3.2 -2,-0.3 -10,-0.3 -0.922 21.1-172.7-116.6 130.1 98.6 44.9 -21.4 14 14 A G - 0 0 2 -12,-3.2 2,-0.4 -2,-0.4 9,-0.2 -0.438 29.1 -89.9-106.5-165.6 95.3 43.6 -19.9 15 15 A L E -C 22 0B 69 7,-2.8 7,-2.4 38,-0.5 2,-0.9 -0.817 19.8-139.5-110.1 141.3 94.4 41.2 -17.2 16 16 A N E -C 21 0B 91 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.884 19.6-178.8-100.1 107.9 93.8 37.5 -17.5 17 17 A A - 0 0 37 3,-2.0 2,-2.8 -2,-0.9 4,-0.1 -0.082 41.4-123.2 -97.3 33.7 90.8 36.9 -15.2 18 18 A I S S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 -0.257 106.7 51.6 51.0 -55.3 91.1 33.2 -16.0 19 19 A I S S- 0 0 86 -2,-2.8 2,-0.3 1,-0.1 -1,-0.3 0.599 130.4 -3.1 -78.2 -5.0 87.5 32.8 -17.3 20 20 A N S S- 0 0 14 85,-0.2 -3,-2.0 2,-0.0 2,-0.5 -0.965 72.3-110.1-166.8 170.7 88.1 35.7 -19.7 21 21 A E E -CD 16 104B 25 83,-2.4 83,-2.5 -2,-0.3 2,-0.4 -0.970 34.7-165.4-115.7 125.2 90.7 38.4 -20.6 22 22 A A E -CD 15 103B 5 -7,-2.4 -7,-2.8 -2,-0.5 2,-0.4 -0.877 21.5-170.5-114.4 144.6 89.9 42.0 -19.6 23 23 A F E - D 0 102B 0 79,-2.5 79,-2.9 -2,-0.4 2,-0.3 -0.948 30.7-177.1-127.3 102.8 91.4 45.4 -20.7 24 24 A L E +n 54 0C 14 29,-1.7 31,-0.7 -2,-0.4 77,-0.2 -0.825 49.5 17.6-114.1 146.1 89.7 47.8 -18.3 25 25 A G E + 0 0 12 -2,-0.3 76,-0.2 1,-0.2 -1,-0.2 0.708 67.3 169.2 73.7 25.6 89.9 51.6 -18.0 26 26 A I E - D 0 100B 0 74,-2.2 74,-2.4 -3,-0.3 2,-0.2 -0.538 35.2-127.0 -71.6 119.8 91.3 52.5 -21.5 27 27 A P E + D 0 99B 31 0, 0.0 72,-0.3 0, 0.0 17,-0.1 -0.470 33.2 173.0 -66.2 127.8 91.0 56.3 -21.9 28 28 A F + 0 0 6 70,-2.3 16,-1.4 -2,-0.2 2,-0.3 0.565 61.9 30.4-113.6 -5.7 89.2 57.2 -25.1 29 29 A A B S-O 43 0D 3 69,-0.9 -1,-0.2 14,-0.3 15,-0.2 -0.961 88.6 -92.8-144.0 155.3 88.8 60.9 -24.7 30 30 A E - 0 0 59 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.476 63.0 -86.0 -62.0 141.1 90.6 63.8 -23.1 31 31 A P - 0 0 37 0, 0.0 2,-2.2 0, 0.0 65,-0.2 -0.308 35.3-136.9 -51.5 120.8 89.3 64.6 -19.5 32 32 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.189 59.5 130.2 -82.3 53.4 86.3 66.9 -19.9 33 33 A V > + 0 0 64 -2,-2.2 3,-2.2 3,-0.1 4,-0.1 -0.581 56.3 0.4-107.5 167.0 87.4 69.0 -17.0 34 34 A G G > S- 0 0 37 1,-0.3 3,-2.0 -2,-0.2 247,-0.1 -0.316 137.6 -1.4 56.8-127.7 87.8 72.9 -16.6 35 35 A N G 3 S+ 0 0 127 1,-0.3 -1,-0.3 3,-0.1 244,-0.1 0.608 128.3 68.3 -70.7 -10.1 86.8 74.6 -19.8 36 36 A L G X S+ 0 0 60 -3,-2.2 3,-1.4 -5,-0.2 -1,-0.3 0.546 74.4 123.4 -83.7 -4.1 86.1 71.3 -21.5 37 37 A R T < S+ 0 0 10 -3,-2.0 -4,-0.1 1,-0.2 3,-0.1 -0.250 81.1 4.1 -55.4 140.6 83.1 70.8 -19.2 38 38 A F T 3 S+ 0 0 4 123,-0.5 -1,-0.2 -6,-0.2 139,-0.2 0.275 109.3 120.0 63.9 -1.4 79.7 70.3 -20.9 39 39 A K S < S- 0 0 62 -3,-1.4 -1,-0.2 1,-0.2 135,-0.1 -0.459 77.3 -81.5 -90.7 156.4 81.6 70.4 -24.2 40 40 A D - 0 0 73 -2,-0.2 -1,-0.2 133,-0.2 137,-0.1 -0.120 59.0 -96.9 -45.8 141.8 81.8 67.7 -26.9 41 41 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.358 33.4-139.4 -68.1 152.4 84.5 65.0 -26.0 42 42 A V - 0 0 54 -12,-0.4 -12,-2.7 -3,-0.1 3,-0.1 -0.951 27.9-103.4-112.4 131.4 87.9 65.4 -27.6 43 43 A P B -O 29 0D 73 0, 0.0 2,-0.7 0, 0.0 -14,-0.3 -0.146 42.9-100.5 -48.6 144.9 89.7 62.3 -28.9 44 44 A Y - 0 0 80 -16,-1.4 2,-0.7 -15,-0.2 -15,-0.0 -0.677 40.0-174.0 -75.3 114.5 92.4 61.0 -26.6 45 45 A S + 0 0 101 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 -0.871 46.7 86.2-111.8 89.4 95.6 62.3 -28.1 46 46 A G S S- 0 0 39 -2,-0.7 2,-0.4 -16,-0.0 -2,-0.0 -0.947 76.8 -84.4-166.3 179.3 98.3 60.7 -25.9 47 47 A S + 0 0 68 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.862 26.5 174.3-112.5 145.4 100.3 57.4 -25.6 48 48 A L > + 0 0 7 -2,-0.4 3,-2.6 3,-0.1 -1,-0.1 0.115 35.5 142.9-120.0 4.6 99.2 54.2 -24.0 49 49 A D T 3 S+ 0 0 97 1,-0.3 -37,-0.2 -39,-0.1 3,-0.1 -0.289 74.3 4.8 -61.6 128.9 102.2 52.3 -25.1 50 50 A G T 3 S+ 0 0 58 -39,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.551 99.8 134.0 76.2 10.0 103.5 49.9 -22.6 51 51 A Q < - 0 0 85 -3,-2.6 -38,-2.5 -40,-0.3 2,-0.4 -0.592 48.8-134.8 -95.6 155.6 100.6 50.6 -20.2 52 52 A K B -b 13 0A 158 -2,-0.2 2,-0.5 -40,-0.2 -38,-0.2 -0.862 9.5-164.4-104.9 143.9 98.5 48.0 -18.3 53 53 A F + 0 0 16 -40,-3.2 -29,-1.7 -2,-0.4 -38,-0.5 -0.814 34.5 139.4-131.8 86.3 94.7 48.2 -18.1 54 54 A T B +n 24 0C 57 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.1 0.270 57.9 39.4-119.4 6.1 93.8 45.9 -15.3 55 55 A S S S- 0 0 83 -31,-0.7 2,-0.3 -40,-0.0 -1,-0.0 -0.975 84.2 -94.2-149.4 162.9 91.0 47.7 -13.4 56 56 A Y - 0 0 67 -2,-0.3 3,-0.1 -32,-0.1 -32,-0.1 -0.644 39.1-134.3 -74.1 137.3 87.9 49.9 -14.0 57 57 A G - 0 0 23 -2,-0.3 74,-0.2 1,-0.2 -32,-0.1 -0.211 45.0 -63.6 -76.5-179.2 88.6 53.6 -13.8 58 58 A P - 0 0 39 0, 0.0 35,-0.3 0, 0.0 41,-0.2 -0.238 51.6-115.1 -63.6 152.3 86.2 55.9 -11.8 59 59 A S B -p 93 0E 11 33,-2.6 35,-2.4 1,-0.2 70,-0.1 -0.383 41.8 -91.4 -70.4 166.7 82.6 56.4 -12.9 60 60 A a - 0 0 2 68,-0.5 35,-0.2 96,-0.3 68,-0.2 -0.324 66.3 -67.5 -71.2 165.0 81.6 59.9 -14.1 61 61 A M - 0 0 13 33,-0.4 97,-0.5 32,-0.1 2,-0.4 -0.251 58.2-140.2 -59.3 148.1 80.2 62.1 -11.3 62 62 A Q - 0 0 41 -3,-0.1 2,-0.3 65,-0.1 65,-0.2 -0.906 0.5-134.0-115.0 139.0 76.9 60.9 -10.0 63 63 A Q - 0 0 0 63,-3.0 63,-0.1 -2,-0.4 228,-0.1 -0.733 31.5-108.8 -90.7 144.6 73.8 62.8 -9.0 64 64 A N > - 0 0 0 -2,-0.3 3,-2.4 1,-0.2 233,-0.1 -0.590 26.1-143.4 -60.3 115.6 72.0 61.9 -5.7 65 65 A P T 3 S+ 0 0 15 0, 0.0 232,-2.5 0, 0.0 233,-0.7 0.707 102.9 49.2 -60.8 -18.7 68.8 60.2 -7.0 66 66 A E T 3 S+ 0 0 41 231,-0.2 9,-0.1 8,-0.2 233,-0.1 0.116 86.4 135.0 -98.0 15.8 66.9 61.8 -4.1 67 67 A G < + 0 0 0 -3,-2.4 228,-2.7 8,-0.1 2,-0.3 -0.337 20.8 143.0 -67.0 148.2 68.5 65.2 -4.9 68 68 A T - 0 0 6 223,-1.4 225,-0.2 226,-0.3 4,-0.1 -0.960 62.3-107.8-171.4 165.3 66.1 68.2 -4.9 69 69 A Y S S+ 0 0 135 -2,-0.3 2,-0.2 2,-0.1 223,-0.1 0.577 101.2 79.7 -79.6 -12.5 66.2 71.8 -3.9 70 70 A E S S- 0 0 103 -3,-0.0 2,-0.4 1,-0.0 -2,-0.2 -0.584 85.6-123.5 -84.7 159.9 63.9 70.9 -0.9 71 71 A E + 0 0 147 -2,-0.2 2,-0.3 -4,-0.1 -2,-0.1 -0.894 44.1 148.2-105.6 140.8 65.6 69.3 2.2 72 72 A N > - 0 0 59 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.983 56.9 -98.7-161.3 166.3 64.3 65.9 3.3 73 73 A L H > S+ 0 0 139 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.931 116.9 52.0 -64.3 -48.7 65.5 62.7 5.0 74 74 A P H > S+ 0 0 60 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.866 113.0 46.8 -52.2 -37.2 66.0 60.5 1.8 75 75 A K H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.975 115.0 46.2 -67.0 -52.9 68.1 63.3 0.3 76 76 A A H X S+ 0 0 51 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.822 113.0 50.1 -56.6 -39.6 70.1 63.6 3.5 77 77 A A H X S+ 0 0 41 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.939 109.5 47.9 -71.9 -44.7 70.5 60.0 3.9 78 78 A L H X S+ 0 0 51 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.875 111.6 51.6 -69.7 -34.8 71.8 59.3 0.4 79 79 A D H X S+ 0 0 45 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.914 105.4 55.9 -61.4 -42.9 74.3 62.1 0.7 80 80 A L H < S+ 0 0 133 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.926 115.7 38.4 -50.5 -51.7 75.5 60.7 4.0 81 81 A V H >< S+ 0 0 68 -4,-2.0 3,-1.6 1,-0.2 6,-0.3 0.946 114.7 52.5 -66.4 -53.4 76.2 57.4 2.1 82 82 A M H 3< S+ 0 0 30 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.788 112.5 43.4 -62.8 -28.2 77.5 58.9 -1.2 83 83 A Q T 3< S+ 0 0 64 -4,-2.4 -1,-0.3 -5,-0.2 2,-0.2 0.400 86.7 117.4-101.4 11.1 80.1 61.2 0.4 84 84 A S S <> S- 0 0 41 -3,-1.6 4,-3.0 -5,-0.2 5,-0.2 -0.513 72.2-127.2 -75.2 144.4 81.3 58.5 2.9 85 85 A K H > S+ 0 0 154 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.753 110.4 55.8 -65.8 -19.5 85.0 57.6 2.4 86 86 A V H > S+ 0 0 108 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.917 109.9 44.9 -76.7 -41.3 83.9 53.9 2.2 87 87 A F H > S+ 0 0 70 -6,-0.3 4,-3.0 1,-0.2 -2,-0.2 0.952 112.1 52.0 -65.1 -47.7 81.6 54.7 -0.6 88 88 A E H < S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 112.0 49.3 -54.1 -39.2 84.3 56.8 -2.3 89 89 A A H < S+ 0 0 77 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.932 118.8 34.7 -67.3 -47.1 86.6 53.8 -1.9 90 90 A V H < S+ 0 0 120 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.764 132.0 29.1 -80.5 -27.7 84.3 51.2 -3.4 91 91 A S S < S- 0 0 45 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.579 77.7-175.3-134.2 71.1 82.7 53.4 -6.0 92 92 A P - 0 0 63 0, 0.0 -33,-2.6 0, 0.0 2,-0.3 -0.401 4.1-176.3 -70.2 141.8 85.1 56.2 -7.1 93 93 A S B +p 59 0E 39 -35,-0.3 2,-0.3 -2,-0.1 -33,-0.2 -0.917 6.6 167.3-132.6 159.9 83.7 58.8 -9.5 94 94 A S - 0 0 46 -35,-2.4 -33,-0.4 -2,-0.3 0, 0.0 -0.963 48.3-116.2-163.8 158.8 85.5 61.7 -11.2 95 95 A E S S+ 0 0 17 -2,-0.3 2,-1.4 -35,-0.2 3,-0.3 0.720 112.1 71.1 -72.3 -25.3 84.9 64.2 -14.0 96 96 A D + 0 0 81 1,-0.2 -1,-0.2 -65,-0.2 -66,-0.0 -0.708 67.8 118.2 -87.9 95.8 87.9 62.4 -15.6 97 97 A a + 0 0 0 -2,-1.4 2,-2.0 -40,-0.1 -1,-0.2 0.374 18.5 122.8-144.2 3.4 85.9 59.3 -16.3 98 98 A L + 0 0 3 -3,-0.3 -70,-2.3 -69,-0.1 -69,-0.9 -0.475 39.2 137.3 -85.6 80.0 85.7 58.7 -20.1 99 99 A T E -D 27 0B 13 -2,-2.0 56,-2.2 -72,-0.3 2,-0.3 -0.786 41.1-142.9-116.8 163.3 87.2 55.2 -20.3 100 100 A I E -DE 26 154B 0 -74,-2.4 -74,-2.2 -2,-0.3 2,-0.4 -0.908 8.4-148.0-126.0 149.8 86.3 52.1 -22.3 101 101 A N E - E 0 153B 0 52,-2.3 52,-1.6 -2,-0.3 2,-0.5 -0.989 7.0-168.0-123.1 126.7 86.5 48.4 -21.2 102 102 A V E +DE 23 152B 0 -79,-2.9 -79,-2.5 -2,-0.4 2,-0.4 -0.959 10.7 174.8-117.2 119.7 87.2 45.4 -23.6 103 103 A V E +DE 22 151B 4 48,-2.7 48,-2.8 -2,-0.5 -81,-0.2 -0.989 9.2 167.9-125.6 136.4 86.6 41.9 -22.2 104 104 A R E -D 21 0B 10 -83,-2.5 -83,-2.4 -2,-0.4 46,-0.2 -0.875 39.9 -72.9-139.9 166.5 86.9 38.7 -24.4 105 105 A P > - 0 0 8 0, 0.0 3,-2.2 0, 0.0 -85,-0.2 -0.288 62.4 -92.3 -52.7 142.7 87.1 34.9 -24.3 106 106 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 -90,-0.0 -0.365 114.6 24.7 -57.7 135.3 90.4 33.4 -23.0 107 107 A G T 3 S+ 0 0 54 1,-0.3 2,-0.0 -3,-0.1 -87,-0.0 0.407 83.2 149.3 91.9 -4.9 92.6 32.8 -25.9 108 108 A T < - 0 0 16 -3,-2.2 2,-0.3 3,-0.0 -1,-0.3 -0.356 24.9-169.8 -67.0 144.3 91.1 35.4 -28.3 109 109 A K > - 0 0 157 88,-0.1 3,-2.1 -3,-0.1 4,-0.2 -0.901 33.0 -80.1-129.5 161.5 93.5 36.9 -30.7 110 110 A A T 3 S+ 0 0 68 -2,-0.3 85,-0.2 85,-0.3 84,-0.1 -0.245 118.2 31.2 -52.0 141.1 93.7 39.8 -33.1 111 111 A G T 3 S+ 0 0 51 83,-1.2 -1,-0.3 87,-0.2 84,-0.1 0.270 80.0 117.3 88.5 -13.7 92.0 38.7 -36.3 112 112 A A < - 0 0 51 -3,-2.1 86,-0.1 82,-0.2 -2,-0.1 0.850 61.8-151.7 -55.7 -33.2 89.4 36.4 -34.6 113 113 A N + 0 0 77 -4,-0.2 85,-0.3 81,-0.2 -1,-0.1 0.872 25.8 173.3 57.3 46.6 86.5 38.6 -35.9 114 114 A L E -f 198 0B 22 83,-2.5 85,-2.8 1,-0.1 88,-0.2 -0.503 39.6 -97.4 -72.8 147.4 84.1 37.8 -33.1 115 115 A P E - 0 0 11 0, 0.0 35,-2.7 0, 0.0 2,-0.5 -0.292 39.2-137.0 -57.6 151.1 80.9 39.8 -32.8 116 116 A V E -fg 203 150B 0 86,-2.7 88,-3.0 83,-0.3 2,-0.7 -0.963 12.2-161.3-121.7 128.1 81.0 42.7 -30.4 117 117 A M E -fg 204 151B 0 33,-2.6 35,-2.6 -2,-0.5 2,-0.6 -0.946 13.3-158.6-108.1 115.4 78.2 43.6 -28.0 118 118 A L E -fg 205 152B 0 86,-2.9 88,-2.5 -2,-0.7 2,-0.4 -0.894 9.7-148.5 -99.6 118.2 78.7 47.2 -26.9 119 119 A W E -fg 206 153B 2 33,-3.3 35,-1.5 -2,-0.6 2,-0.6 -0.691 14.2-171.1 -95.8 132.2 77.0 47.9 -23.6 120 120 A I E -f 207 0B 0 86,-2.3 88,-0.9 -2,-0.4 95,-0.1 -0.965 20.6-145.4-119.6 106.3 75.5 51.4 -22.6 121 121 A F - 0 0 0 -2,-0.6 2,-0.4 33,-0.5 93,-0.1 -0.373 10.2-147.4 -68.5 156.0 74.5 51.4 -19.0 122 122 A G + 0 0 12 88,-0.2 7,-0.1 89,-0.1 6,-0.1 -0.990 29.5 160.1-127.4 139.8 71.4 53.4 -17.9 123 123 A G S >> S- 0 0 11 -2,-0.4 3,-2.1 4,-0.2 4,-2.0 -0.345 79.4 -73.3-147.1 59.7 70.7 55.2 -14.6 124 124 A G T 34 S- 0 0 15 1,-0.3 182,-0.3 2,-0.2 172,-0.1 0.777 83.4 -77.0 53.7 30.4 67.9 57.8 -15.3 125 125 A F T 34 S+ 0 0 2 2,-0.2 34,-3.1 1,-0.1 -1,-0.3 0.585 131.4 76.8 52.9 25.0 70.6 59.8 -17.2 126 126 A E T <4 S+ 0 0 0 -3,-2.1 -63,-3.0 32,-0.3 2,-0.3 0.515 93.8 24.7-137.0 -22.1 71.9 60.9 -13.7 127 127 A V S < S+ 0 0 29 -4,-2.0 -1,-0.3 -65,-0.2 -2,-0.2 -0.894 70.5 96.5-136.5 172.8 73.9 57.9 -12.2 128 128 A G - 0 0 13 -2,-0.3 -68,-0.5 -68,-0.2 2,-0.3 -0.170 28.9-162.4 123.6 155.6 75.8 54.9 -13.5 129 129 A G - 0 0 2 -70,-0.1 3,-0.5 -7,-0.1 -7,-0.1 -0.923 33.7-112.8-153.6 166.4 79.2 53.4 -14.4 130 130 A T S > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.2 -1,-0.0 0.868 101.1 74.1 -74.7 -36.4 80.4 50.4 -16.3 131 131 A S T 3 S+ 0 0 51 1,-0.3 -1,-0.2 -74,-0.2 -75,-0.0 0.635 86.0 63.5 -56.8 -22.4 81.9 48.4 -13.4 132 132 A T T 3 S+ 0 0 72 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.354 89.7 69.9 -87.7 5.8 78.5 47.3 -12.0 133 133 A F S < S- 0 0 25 -3,-2.0 -1,-0.2 -14,-0.0 -14,-0.1 -0.789 77.7-154.8-122.3 83.8 77.5 45.3 -15.1 134 134 A P - 0 0 41 0, 0.0 3,-0.3 0, 0.0 4,-0.3 -0.466 6.4-159.1 -62.4 126.5 79.8 42.2 -15.0 135 135 A P > + 0 0 9 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.588 69.4 92.7 -79.0 -12.2 80.3 40.7 -18.5 136 136 A A H > S+ 0 0 28 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.868 82.6 51.5 -53.1 -47.7 81.4 37.2 -17.3 137 137 A Q H > S+ 0 0 33 320,-0.4 4,-2.0 -3,-0.3 -1,-0.3 0.882 114.0 44.7 -62.3 -40.5 78.0 35.6 -17.3 138 138 A M H > S+ 0 0 0 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.929 115.4 47.0 -69.4 -44.6 77.4 36.8 -20.9 139 139 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.957 112.5 48.9 -64.5 -47.0 80.9 35.7 -22.2 140 140 A T H X S+ 0 0 68 -4,-3.1 4,-2.5 1,-0.2 3,-0.3 0.952 112.4 47.8 -58.9 -48.9 80.8 32.3 -20.5 141 141 A K H X S+ 0 0 66 -4,-2.0 4,-1.8 -5,-0.3 6,-0.2 0.903 109.7 54.3 -61.6 -35.0 77.3 31.5 -22.0 142 142 A S H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.4 0.906 108.9 47.1 -67.4 -37.1 78.5 32.7 -25.4 143 143 A I H ><5S+ 0 0 74 -4,-2.1 3,-1.9 -3,-0.3 -2,-0.2 0.955 111.9 50.6 -63.7 -49.7 81.5 30.3 -25.4 144 144 A A H 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.780 108.7 53.9 -61.1 -29.1 79.3 27.4 -24.2 145 145 A M T 3<5S- 0 0 44 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.581 112.5-118.8 -78.7 -12.1 76.9 28.2 -27.0 146 146 A G T < 5S+ 0 0 61 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.661 93.6 99.6 79.3 16.1 79.6 28.1 -29.7 147 147 A K < - 0 0 46 -5,-2.5 -4,-0.1 -6,-0.2 -2,-0.1 -0.590 57.5-174.2-133.3 67.8 78.9 31.7 -30.4 148 148 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.385 3.3-172.5 -71.6 144.5 81.6 33.7 -28.5 149 149 A I - 0 0 0 -10,-0.2 2,-0.4 -35,-0.1 -33,-0.2 -0.906 24.3-123.6-131.7 157.1 81.4 37.5 -28.4 150 150 A I E - g 0 116B 0 -35,-2.7 -33,-2.6 -2,-0.3 2,-0.5 -0.875 26.6-144.6 -96.0 140.0 83.6 40.3 -27.2 151 151 A H E -Eg 103 117B 5 -48,-2.8 -48,-2.7 -2,-0.4 2,-0.4 -0.917 19.0-179.1-110.0 128.8 81.9 42.6 -24.6 152 152 A V E -Eg 102 118B 0 -35,-2.6 -33,-3.3 -2,-0.5 2,-0.4 -0.962 3.3-173.3-123.2 138.9 82.7 46.3 -24.7 153 153 A S E -Eg 101 119B 5 -52,-1.6 -52,-2.3 -2,-0.4 2,-0.4 -0.994 6.8-157.0-134.3 146.0 81.3 48.9 -22.2 154 154 A V E -E 100 0B 0 -35,-1.5 -33,-0.5 -2,-0.4 2,-0.3 -0.948 10.6-137.4-126.2 133.4 81.7 52.7 -22.4 155 155 A N - 0 0 1 -56,-2.2 2,-0.3 -2,-0.4 30,-0.1 -0.656 26.1-178.2 -82.3 151.4 81.5 55.3 -19.6 156 156 A Y - 0 0 1 -2,-0.3 -96,-0.3 -28,-0.2 2,-0.2 -0.965 34.6 -91.2-143.8 159.9 79.6 58.5 -20.5 157 157 A R - 0 0 7 -2,-0.3 2,-0.2 20,-0.1 25,-0.1 -0.556 45.5-166.7 -73.7 134.5 78.9 61.7 -18.6 158 158 A V >> + 0 0 0 -97,-0.5 4,-0.7 -2,-0.2 3,-0.7 -0.741 44.5 5.8-118.2 166.3 75.6 61.7 -16.7 159 159 A S H >> S- 0 0 0 -34,-3.1 4,-2.7 -2,-0.2 3,-0.7 -0.189 126.8 -15.8 63.1-147.4 73.5 64.3 -14.9 160 160 A S H 3> S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.878 137.1 60.5 -55.7 -36.2 74.5 68.1 -15.2 161 161 A W H <4 S+ 0 0 8 -3,-0.7 -123,-0.5 1,-0.2 -1,-0.2 0.879 120.9 21.6 -57.9 -36.1 77.9 67.0 -16.4 162 162 A G H << S+ 0 0 1 -3,-0.7 16,-2.8 -4,-0.7 15,-0.3 0.682 130.9 32.9-111.3 -22.2 76.5 65.2 -19.4 163 163 A F H < + 0 0 5 -4,-2.7 144,-0.5 14,-0.2 2,-0.2 -0.174 67.4 152.0-133.3 39.6 73.0 66.6 -20.3 164 164 A L < + 0 0 7 -4,-0.7 12,-0.4 10,-0.2 13,-0.2 -0.502 22.9 176.8 -70.7 139.9 73.0 70.3 -19.3 165 165 A A + 0 0 10 90,-0.4 4,-0.4 -2,-0.2 3,-0.2 -0.436 20.2 96.3-125.8-161.4 70.5 72.1 -21.5 166 166 A G S > S- 0 0 0 84,-2.7 4,-2.2 -2,-0.2 5,-0.1 -0.285 83.8 -52.6 101.9 178.9 69.0 75.6 -22.0 167 167 A D H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.847 129.8 50.8 -56.5 -40.9 69.7 78.5 -24.3 168 168 A E H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 111.2 48.7 -73.2 -42.4 73.4 79.0 -23.6 169 169 A I H >>S+ 0 0 1 -4,-0.4 5,-2.1 2,-0.2 4,-1.1 0.939 113.2 48.6 -57.5 -46.6 74.2 75.2 -24.3 170 170 A K H ><5S+ 0 0 84 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.935 109.4 51.9 -58.7 -50.7 72.2 75.4 -27.5 171 171 A A H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.849 112.7 44.9 -57.0 -38.3 74.0 78.6 -28.6 172 172 A E H 3<5S- 0 0 70 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.643 110.4-122.0 -80.8 -14.5 77.4 77.0 -28.1 173 173 A G T <<5S+ 0 0 41 -4,-1.1 -3,-0.2 -3,-1.0 -133,-0.2 0.864 73.7 126.0 77.9 34.6 76.4 73.7 -29.8 174 174 A S > < + 0 0 6 -5,-2.1 3,-0.6 -6,-0.1 -10,-0.2 0.063 27.6 139.5-111.9 23.4 77.1 71.5 -26.7 175 175 A A T 3 + 0 0 2 -6,-0.3 -10,-0.1 1,-0.2 5,-0.1 -0.361 67.5 13.3 -70.2 147.8 73.8 69.7 -26.2 176 176 A N T 3> + 0 0 5 -12,-0.4 4,-1.7 131,-0.2 3,-0.5 0.887 67.9 169.2 60.0 47.5 73.7 66.0 -25.2 177 177 A A H <> S+ 0 0 2 -3,-0.6 4,-2.4 -15,-0.3 -14,-0.2 0.906 73.8 58.3 -56.2 -42.0 77.5 65.8 -24.2 178 178 A G H > S+ 0 0 0 -16,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.863 105.8 46.8 -58.9 -39.5 76.8 62.3 -22.7 179 179 A L H > S+ 0 0 0 -3,-0.5 4,-2.5 -17,-0.3 -1,-0.2 0.857 109.2 55.2 -73.4 -30.2 75.5 60.8 -26.0 180 180 A K H X S+ 0 0 16 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.932 104.7 54.0 -67.1 -40.8 78.5 62.3 -27.8 181 181 A D H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.932 109.5 47.4 -58.6 -45.1 80.8 60.5 -25.4 182 182 A Q H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.894 110.6 52.4 -63.0 -37.5 79.0 57.3 -26.3 183 183 A R H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.896 108.5 50.4 -65.5 -37.8 79.3 58.1 -30.0 184 184 A L H X S+ 0 0 21 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.882 108.0 52.6 -69.1 -37.3 83.1 58.7 -29.6 185 185 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.895 108.3 51.4 -61.0 -39.9 83.4 55.3 -27.8 186 186 A M H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.929 108.9 51.2 -62.5 -41.9 81.6 53.6 -30.8 187 187 A Q H X S+ 0 0 55 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.890 108.0 51.5 -63.7 -35.8 84.1 55.4 -33.1 188 188 A W H X S+ 0 0 30 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.877 109.1 51.1 -66.7 -40.7 87.0 54.0 -30.9 189 189 A V H >X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 3,-0.6 0.980 108.7 51.0 -61.1 -52.4 85.5 50.5 -31.3 190 190 A A H 3< S+ 0 0 32 -4,-2.7 4,-0.2 1,-0.3 -2,-0.2 0.891 118.4 39.8 -51.4 -42.1 85.3 50.9 -35.1 191 191 A D H 3< S+ 0 0 61 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.767 130.9 18.8 -79.7 -22.8 89.0 52.0 -35.1 192 192 A N H X< S+ 0 0 18 -4,-2.2 3,-1.1 -3,-0.6 4,-0.4 0.592 90.9 89.6-128.8 -10.9 90.5 49.6 -32.5 193 193 A I G >X>S+ 0 0 0 -4,-2.6 5,-2.2 -5,-0.3 3,-1.8 0.828 78.5 68.9 -73.2 -24.8 88.5 46.5 -31.7 194 194 A A G >45S+ 0 0 46 -5,-0.3 -83,-1.2 1,-0.3 3,-1.2 0.887 93.7 60.5 -56.6 -32.8 90.0 44.3 -34.5 195 195 A A G <45S+ 0 0 21 -3,-1.1 -190,-0.3 1,-0.3 -85,-0.3 0.741 105.6 47.9 -67.2 -18.6 93.3 44.4 -32.4 196 196 A F G <45S- 0 0 0 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.534 129.6 -95.5 -94.9 -9.4 91.3 42.7 -29.5 197 197 A G T <<5S+ 0 0 0 -3,-1.2 -83,-2.5 -4,-0.8 2,-0.2 0.512 83.7 127.3 108.1 8.2 89.8 40.1 -31.8 198 198 A G E < -f 114 0B 0 -5,-2.2 -1,-0.4 -85,-0.3 -87,-0.2 -0.637 59.0-124.3-103.1 156.0 86.5 41.7 -32.6 199 199 A D E > - 0 0 23 -85,-2.8 3,-2.1 -2,-0.2 -83,-0.3 -0.882 10.4-152.3 -97.9 116.4 85.0 42.4 -36.0 200 200 A P E 3 S+ 0 0 40 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.601 95.1 59.1 -61.7 -11.7 84.1 46.2 -36.4 201 201 A T E 3 S+ 0 0 82 1,-0.2 33,-0.1 33,-0.0 -11,-0.0 0.445 99.3 57.5 -96.5 1.7 81.3 45.2 -38.9 202 202 A K E < S+ 0 0 54 -3,-2.1 -86,-2.7 -88,-0.2 2,-0.6 -0.408 70.2 142.3-125.6 51.6 79.5 43.0 -36.3 203 203 A V E -f 116 0B 2 -3,-0.3 32,-2.7 -88,-0.2 33,-0.8 -0.894 28.1-169.7 -98.0 123.3 78.8 45.5 -33.5 204 204 A T E -fh 117 236B 0 -88,-3.0 -86,-2.9 -2,-0.6 2,-0.4 -0.942 12.6-149.8-102.2 126.7 75.4 45.2 -31.7 205 205 A I E +fh 118 237B 0 31,-2.1 33,-2.2 -2,-0.5 2,-0.3 -0.815 23.9 170.6 -96.2 134.7 74.7 48.1 -29.3 206 206 A F E +fh 119 238B 1 -88,-2.5 -86,-2.3 -2,-0.4 2,-0.3 -0.991 5.4 158.3-142.6 153.9 72.6 47.2 -26.3 207 207 A G E -fh 120 239B 0 31,-1.5 33,-2.3 -2,-0.3 2,-0.4 -0.984 28.4-125.4-162.9 166.9 71.6 49.0 -23.2 208 208 A E E > - h 0 240B 7 -88,-0.9 3,-2.5 -2,-0.3 33,-0.2 -0.959 69.5 -26.3-128.5 144.7 69.0 49.0 -20.4 209 209 A S T >> S+ 0 0 11 31,-2.3 4,-2.3 -2,-0.4 3,-1.0 -0.305 142.2 7.1 56.8-121.8 66.7 51.8 -19.2 210 210 A A H 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.852 135.0 56.4 -59.7 -24.6 68.6 55.1 -19.9 211 211 A G H <> S+ 0 0 0 -3,-2.5 4,-1.6 2,-0.2 -1,-0.3 0.854 107.3 48.7 -71.0 -31.0 71.1 53.0 -21.8 212 212 A S H <> S+ 0 0 0 -3,-1.0 4,-2.3 29,-0.3 -2,-0.2 0.913 109.7 49.3 -74.7 -41.6 68.2 51.7 -23.9 213 213 A M H X S+ 0 0 19 -4,-2.3 4,-2.6 28,-0.3 -2,-0.2 0.884 108.6 56.3 -62.7 -36.7 66.9 55.1 -24.6 214 214 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.890 104.1 51.5 -59.3 -45.0 70.5 55.9 -25.6 215 215 A V H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.924 110.0 50.4 -59.6 -43.3 70.4 53.1 -28.2 216 216 A M H >X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.6 0.938 108.5 51.1 -59.8 -49.1 67.2 54.6 -29.6 217 217 A C H 3X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.848 107.7 53.9 -57.6 -34.1 68.9 58.0 -29.8 218 218 A H H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.824 105.7 52.3 -71.1 -28.2 71.8 56.4 -31.6 219 219 A I H << S+ 0 0 0 -4,-1.5 110,-2.0 -3,-0.6 -1,-0.2 0.838 117.4 39.6 -70.4 -34.8 69.4 54.9 -34.2 220 220 A L H >< S+ 0 0 0 -4,-1.7 3,-1.0 108,-0.2 96,-0.3 0.595 88.9 121.7 -88.3 -16.5 68.0 58.4 -34.7 221 221 A W G >X S+ 0 0 9 -4,-1.4 3,-1.5 1,-0.3 4,-0.7 -0.224 84.4 3.2 -52.4 133.7 71.3 60.3 -34.5 222 222 A N G >4 S- 0 0 62 92,-2.6 3,-1.2 1,-0.3 -1,-0.3 0.889 133.6 -62.6 52.7 41.7 72.2 62.4 -37.6 223 223 A D G <4 S- 0 0 65 -3,-1.0 105,-0.3 91,-0.5 -1,-0.3 0.736 104.0 -46.6 52.7 33.2 68.9 61.5 -39.0 224 224 A G G <4 S+ 0 0 13 -3,-1.5 2,-1.3 103,-0.3 -1,-0.3 0.589 98.1 136.6 94.5 8.2 69.8 57.8 -39.1 225 225 A D << + 0 0 82 -3,-1.2 -1,-0.2 -4,-0.7 104,-0.1 -0.755 20.3 168.9 -90.0 105.9 73.2 58.2 -40.6 226 226 A N + 0 0 18 -2,-1.3 7,-2.6 -3,-0.1 8,-0.2 0.058 30.9 122.6-102.0 26.6 75.1 55.8 -38.5 227 227 A T E -Q 232 0F 62 5,-0.3 2,-0.4 6,-0.1 -2,-0.0 -0.593 37.6-171.8 -97.6 157.9 78.3 55.7 -40.6 228 228 A Y E > S-Q 231 0F 50 3,-2.7 3,-1.9 -2,-0.2 -2,-0.0 -0.982 82.6 -8.3-142.5 123.2 81.9 56.5 -39.6 229 229 A K T 3 S- 0 0 142 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.854 135.8 -50.2 53.7 38.9 84.5 56.6 -42.3 230 230 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.537 121.6 96.3 80.3 7.1 81.9 55.2 -44.8 231 231 A K E < S-Q 228 0F 121 -3,-1.9 -3,-2.7 -5,-0.0 -1,-0.2 -0.979 79.2-102.8-131.0 145.0 80.8 52.3 -42.5 232 232 A P E -Q 227 0F 72 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.303 21.2-142.9 -58.3 140.8 77.9 51.7 -40.1 233 233 A L S S+ 0 0 8 -7,-2.6 2,-0.3 1,-0.2 -6,-0.1 0.536 84.9 12.5 -78.5 -12.1 79.0 51.9 -36.5 234 234 A F - 0 0 3 -8,-0.2 -30,-0.2 -33,-0.1 -1,-0.2 -0.957 55.6-154.4-161.7 143.9 76.6 49.1 -35.5 235 235 A R S S+ 0 0 60 -32,-2.7 2,-0.3 -2,-0.3 -31,-0.2 0.405 79.5 9.6-104.4 3.7 74.6 46.5 -37.4 236 236 A A E -h 204 0B 0 -33,-0.8 -31,-2.1 95,-0.2 2,-0.3 -0.979 61.1-143.5-170.5 160.9 71.9 45.9 -34.8 237 237 A G E -hi 205 333B 0 95,-1.6 97,-2.0 -2,-0.3 2,-0.4 -0.996 1.5-160.4-140.3 146.5 70.5 47.1 -31.5 238 238 A I E -hi 206 334B 0 -33,-2.2 -31,-1.5 -2,-0.3 2,-0.6 -0.991 11.8-165.7-124.1 123.0 68.9 45.6 -28.4 239 239 A M E -hi 207 335B 0 95,-3.1 97,-2.5 -2,-0.4 2,-0.8 -0.893 3.8-167.2-116.7 104.8 66.8 47.8 -26.2 240 240 A Q E S-hi 208 336B 0 -33,-2.3 -31,-2.3 -2,-0.6 -28,-0.3 -0.833 74.1 -22.4 -92.6 103.6 66.0 46.5 -22.7 241 241 A S S S+ 0 0 0 95,-2.6 -32,-0.4 -2,-0.8 -29,-0.3 0.999 116.1 65.7 58.2 79.1 63.2 48.9 -21.3 242 242 A G + 0 0 0 94,-0.4 173,-0.1 -3,-0.3 -26,-0.1 -0.343 39.6 166.0 146.2 132.6 63.3 52.2 -23.1 243 243 A A + 0 0 0 1,-0.5 -26,-0.2 171,-0.5 -27,-0.2 -0.053 61.2 5.3-135.0-126.7 62.7 53.7 -26.6 244 244 A M S S- 0 0 0 174,-0.2 -1,-0.5 -28,-0.1 -30,-0.1 -0.338 72.2-120.6 -64.6 148.9 62.3 57.4 -27.7 245 245 A V - 0 0 2 -32,-0.2 2,-1.9 -3,-0.1 74,-0.4 -0.812 14.8-137.7 -85.9 125.0 62.8 60.0 -25.1 246 246 A P + 0 0 14 0, 0.0 288,-2.5 0, 0.0 2,-0.4 -0.423 54.3 143.7 -77.0 66.6 59.6 62.2 -24.6 247 247 A S - 0 0 0 -2,-1.9 72,-0.4 286,-0.2 3,-0.1 -0.899 48.9-131.5-121.4 142.0 61.6 65.4 -24.4 248 248 A D - 0 0 26 -2,-0.4 4,-0.1 1,-0.2 286,-0.1 -0.244 53.8 -68.2 -65.9 165.5 61.1 69.0 -25.5 249 249 A A > - 0 0 40 60,-0.2 3,-1.9 2,-0.1 6,-0.3 -0.010 49.6-103.6 -55.8 160.0 64.0 70.8 -27.4 250 250 A V T 3 S+ 0 0 2 60,-2.7 -84,-2.7 1,-0.3 61,-0.1 0.829 122.4 44.2 -59.1 -34.7 67.2 71.6 -25.5 251 251 A D T 3 S+ 0 0 63 -86,-0.2 -1,-0.3 4,-0.1 -84,-0.1 -0.057 91.4 122.6-100.4 25.7 66.3 75.3 -25.2 252 252 A G S <> S- 0 0 18 -3,-1.9 4,-2.2 -4,-0.1 5,-0.2 -0.283 81.2 -85.1 -77.0-179.6 62.7 74.5 -24.2 253 253 A I H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.855 123.9 39.6 -63.0 -41.2 61.1 75.7 -20.9 254 254 A Y H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.854 112.2 56.8 -82.8 -27.5 62.3 72.9 -18.4 255 255 A G H > S+ 0 0 4 -6,-0.3 4,-1.7 2,-0.2 -90,-0.4 0.918 113.0 42.5 -60.6 -45.2 65.8 72.7 -20.0 256 256 A N H X S+ 0 0 24 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.918 112.3 52.5 -67.6 -44.1 66.2 76.5 -19.3 257 257 A E H X S+ 0 0 92 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.891 110.2 47.5 -55.3 -49.3 64.7 76.4 -15.8 258 258 A I H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.906 111.1 53.5 -63.3 -39.2 67.0 73.5 -14.7 259 259 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.951 111.8 43.7 -57.7 -51.0 69.9 75.5 -16.2 260 260 A D H X S+ 0 0 66 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.836 113.8 50.3 -65.2 -36.0 69.0 78.7 -14.2 261 261 A L H X S+ 0 0 46 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.962 111.9 47.8 -65.9 -48.0 68.4 76.7 -11.0 262 262 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.923 112.0 49.7 -56.6 -47.1 71.8 75.0 -11.3 263 263 A A H X>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 4,-1.0 0.895 110.5 49.4 -68.1 -36.8 73.5 78.3 -11.9 264 264 A S H ><5S+ 0 0 70 -4,-2.2 3,-1.1 4,-0.3 5,-0.4 0.982 111.7 51.5 -59.3 -48.8 71.8 79.9 -8.9 265 265 A N H 3<5S+ 0 0 56 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.840 110.3 46.2 -54.6 -43.9 72.9 76.9 -6.8 266 266 A A H 3<5S- 0 0 14 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.631 122.3-102.8 -76.0 -13.4 76.6 77.1 -7.9 267 267 A G T <<5S+ 0 0 57 -3,-1.1 3,-0.3 -4,-1.0 -3,-0.2 0.601 93.9 111.9 99.9 18.8 76.7 80.8 -7.3 268 268 A b > < + 0 0 1 -5,-2.8 3,-2.1 -6,-0.2 -4,-0.3 0.248 33.4 111.6-106.2 11.5 76.4 81.9 -10.9 269 269 A G T 3 S+ 0 0 39 -6,-0.7 -1,-0.2 -5,-0.4 -5,-0.2 0.749 84.2 43.0 -60.1 -24.4 73.0 83.4 -10.8 270 270 A S T 3 S+ 0 0 123 -3,-0.3 -1,-0.3 -7,-0.2 2,-0.2 0.149 86.7 119.4-105.5 16.2 74.5 86.9 -11.3 271 271 A A < - 0 0 31 -3,-2.1 3,-0.4 1,-0.2 4,-0.1 -0.530 59.0-146.4 -80.2 144.0 77.0 86.0 -14.0 272 272 A S S S+ 0 0 133 1,-0.3 2,-0.7 -2,-0.2 -1,-0.2 0.858 103.1 34.3 -71.4 -40.7 76.6 87.6 -17.4 273 273 A D S > S+ 0 0 82 1,-0.2 4,-1.3 -3,-0.1 -1,-0.3 -0.881 73.7 179.4-117.4 99.9 77.8 84.4 -18.9 274 274 A K H > S+ 0 0 33 -2,-0.7 4,-2.8 -3,-0.4 5,-0.2 0.884 77.9 59.3 -65.8 -37.3 76.5 81.7 -16.7 275 275 A L H > S+ 0 0 4 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.926 108.0 44.3 -64.9 -43.6 78.0 79.0 -18.7 276 276 A A H > S+ 0 0 50 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.798 110.9 56.0 -66.9 -31.1 81.5 80.3 -18.2 277 277 A b H >X S+ 0 0 39 -4,-1.3 3,-1.4 2,-0.2 4,-0.9 0.961 106.9 49.3 -65.3 -46.4 80.7 80.8 -14.5 278 278 A L H 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.804 105.4 57.9 -66.1 -32.0 79.7 77.1 -14.2 279 279 A R H 3< S+ 0 0 21 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.692 107.7 50.1 -65.6 -18.7 83.0 76.1 -16.0 280 280 A G H << S+ 0 0 65 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.727 87.1 95.5 -93.5 -23.0 84.9 77.9 -13.2 281 281 A V S < S- 0 0 24 -4,-0.9 -247,-0.1 -3,-0.3 -14,-0.1 -0.266 81.4-100.2 -68.5 155.9 83.3 76.5 -10.0 282 282 A S > - 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0 0 21 -2,-2.2 3,-0.1 1,-0.1 -9,-0.1 -0.271 28.5-144.7 -64.6 142.6 63.8 64.4 -15.4 305 305 A S S S+ 0 0 8 -11,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.772 90.5 30.7 -74.8 -30.8 66.2 67.2 -14.8 306 306 A Y S S+ 0 0 1 -182,-0.3 -1,-0.2 -142,-0.1 -147,-0.1 -0.995 78.1 124.9-136.0 123.5 68.9 65.8 -17.3 307 307 A L - 0 0 8 -144,-0.5 -131,-0.2 -2,-0.4 2,-0.1 -0.951 65.4 -66.4-168.2 158.2 68.0 63.7 -20.3 308 308 A P - 0 0 0 0, 0.0 -61,-0.1 0, 0.0 -145,-0.1 -0.372 54.3-174.5 -50.4 126.3 68.5 63.6 -24.2 309 309 A R - 0 0 6 -2,-0.1 -60,-0.2 -63,-0.0 -59,-0.1 -0.975 32.5-100.2-127.0 140.2 66.7 66.6 -25.8 310 310 A P + 0 0 7 0, 0.0 -60,-2.7 0, 0.0 6,-0.2 -0.292 36.6 179.6 -50.6 132.2 66.3 67.4 -29.6 311 311 A D - 0 0 7 4,-2.0 5,-0.2 -62,-0.2 -136,-0.1 0.454 41.1-118.9-116.0 -4.2 68.8 70.0 -30.5 312 312 A G S S+ 0 0 48 3,-2.4 4,-0.3 1,-0.1 6,-0.0 0.400 101.6 60.0 79.5 -8.7 68.0 70.5 -34.2 313 313 A V S S+ 0 0 87 2,-0.5 3,-0.2 4,-0.0 -1,-0.1 0.740 119.8 9.1-118.4 -56.2 71.6 69.4 -35.2 314 314 A N S S+ 0 0 33 1,-0.4 -92,-2.6 -92,-0.1 2,-0.5 0.731 145.3 29.0 -96.1 -28.2 72.4 65.8 -34.1 315 315 A I S S- 0 0 1 -94,-0.2 -3,-2.4 -6,-0.1 -4,-2.0 -0.948 84.6-170.2-122.1 102.9 68.8 64.9 -32.9 316 316 A T - 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0 0 16 -3,-1.8 2,-0.1 -6,-0.2 -3,-0.1 -0.675 65.1-135.2 -92.5 137.7 48.7 68.5 -21.7 370 370 A S > - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.347 28.7-105.2 -75.2 169.6 45.2 70.1 -21.8 371 371 A D H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 122.9 56.4 -64.5 -37.8 42.6 69.3 -19.2 372 372 A A H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.941 108.4 46.9 -58.4 -44.7 40.8 67.2 -21.8 373 373 A E H > S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 112.1 50.0 -63.9 -37.7 44.0 65.1 -22.3 374 374 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.897 111.6 50.8 -66.2 -35.8 44.4 64.8 -18.5 375 375 A D H X S+ 0 0 78 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.933 109.6 48.5 -67.1 -41.6 40.8 63.7 -18.4 376 376 A T H >X S+ 0 0 73 -4,-2.8 4,-2.7 1,-0.2 3,-1.5 0.966 110.3 52.1 -64.9 -46.1 41.4 61.1 -21.1 377 377 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 -2,-0.2 0.882 109.4 49.5 -54.1 -43.0 44.5 59.8 -19.3 378 378 A M H 3< S+ 0 0 29 -4,-2.3 5,-0.3 2,-0.2 -1,-0.3 0.551 111.9 48.0 -76.9 -9.8 42.5 59.4 -16.0 379 379 A T H << S+ 0 0 112 -3,-1.5 -2,-0.2 -4,-0.8 -1,-0.2 0.799 114.6 45.6 -89.3 -44.0 39.7 57.5 -17.8 380 380 A A H < S+ 0 0 26 -4,-2.7 141,-0.3 1,-0.3 -2,-0.2 0.797 123.1 36.5 -70.7 -30.3 42.2 55.2 -19.6 381 381 A Y S < S- 0 0 9 -4,-2.1 -1,-0.3 -5,-0.3 28,-0.1 -0.824 93.3-166.5-121.3 84.1 44.2 54.7 -16.3 382 382 A P - 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