==== 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 (SERINE PROTEINASE) 11-AUG-72 1SBT . COMPND 2 MOLECULE: SUBTILISIN BPN'; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR R.A.ALDEN,J.J.BIRKTOFT,J.KRAUT,J.D.ROBERTUS,C.S.WRIGHT . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.5 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 2 1 0 0 1 1 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 4 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 . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 121 0, 0.0 2,-0.4 0, 0.0 77,-0.1 0.000 360.0 360.0 360.0-103.9 36.3 6.7 14.1 2 2 A Q - 0 0 69 75,-0.1 2,-0.4 76,-0.1 79,-0.2 -0.878 360.0-161.1-119.4 136.2 37.0 10.1 15.7 3 3 A S - 0 0 67 77,-2.0 76,-0.0 -2,-0.4 75,-0.0 -0.973 17.8-136.1-131.2 128.9 36.3 13.4 13.9 4 4 A V - 0 0 87 -2,-0.4 2,-0.1 77,-0.1 79,-0.1 -0.818 31.1-129.7 -76.6 111.4 37.3 17.1 14.1 5 5 A P >> - 0 0 26 0, 0.0 3,-1.4 0, 0.0 4,-1.3 -0.278 15.9-120.9 -61.9 129.6 34.4 19.3 13.7 6 6 A Y H 3> S+ 0 0 82 1,-0.3 4,-1.9 198,-0.2 3,-0.1 0.920 109.7 51.1 -48.5 -40.4 34.8 22.1 11.1 7 7 A G H 3> S+ 0 0 1 1,-0.2 4,-1.0 2,-0.2 5,-0.3 0.739 101.0 63.9 -76.6 -24.9 34.2 25.0 13.6 8 8 A V H X>>S+ 0 0 0 -3,-1.4 4,-1.8 2,-0.2 5,-1.0 0.949 108.8 36.4 -66.2 -44.6 36.8 23.7 16.1 9 9 A S H 3<5S+ 0 0 73 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 109.4 71.3 -67.1 -38.0 39.9 24.1 13.8 10 10 A Q H 3<5S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.659 109.9 27.1 -63.8 -8.6 38.3 27.3 12.4 11 11 A I H <<5S- 0 0 0 -4,-1.0 260,-0.6 -3,-0.9 259,-0.4 0.670 114.3-119.1-111.9 -38.5 38.8 29.3 15.4 12 12 A K T X5 + 0 0 56 -4,-1.8 4,-0.7 -5,-0.3 3,-0.2 0.928 58.0 147.7 100.5 42.6 41.9 27.3 16.6 13 13 A A H > S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.656 91.2 62.0 -74.5 -14.2 43.8 22.9 18.6 15 15 A A H 4 S+ 0 0 19 -3,-0.2 -2,-0.2 2,-0.2 -3,-0.1 0.880 114.4 35.1 -67.9 -47.0 46.6 25.6 18.5 16 16 A L H <>S+ 0 0 0 -4,-0.7 5,-1.5 2,-0.2 4,-0.4 0.736 114.9 59.3 -71.3 -28.3 46.1 25.7 22.3 17 17 A H H ><5S+ 0 0 29 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.973 108.3 41.1 -68.6 -48.6 45.4 22.0 22.4 18 18 A S T 3<5S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.489 105.9 66.3 -81.8 12.9 48.8 20.9 20.9 19 19 A Q T 3 5S- 0 0 83 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.555 124.4-107.9-101.3 -18.1 50.4 23.6 23.1 20 20 A G T < 5S+ 0 0 54 -3,-1.6 2,-0.6 -4,-0.4 -3,-0.2 0.164 82.6 118.3 112.6 -21.4 49.2 21.3 26.0 21 21 A Y < + 0 0 84 -5,-1.5 -1,-0.3 1,-0.2 -2,-0.2 -0.661 14.8 147.9 -89.6 123.6 46.3 23.4 27.4 22 22 A T S S- 0 0 22 -2,-0.6 65,-2.0 63,-0.1 66,-0.6 0.338 72.4 -95.9-131.0 4.7 42.8 21.9 27.3 23 23 A G > + 0 0 0 64,-0.2 3,-1.3 210,-0.2 66,-0.3 0.877 60.0 165.4 82.1 41.5 41.3 23.5 30.5 24 24 A S T 3 S+ 0 0 74 1,-0.2 -3,-0.0 64,-0.1 209,-0.0 0.989 79.8 34.6 -52.3 -58.2 42.0 20.5 32.9 25 25 A N T 3 S+ 0 0 155 63,-0.1 2,-0.3 211,-0.1 -1,-0.2 0.234 102.4 107.8 -90.8 22.0 41.4 22.5 36.1 26 26 A V < - 0 0 8 -3,-1.3 63,-4.8 61,-0.2 2,-0.5 -0.719 54.9-149.7-101.2 139.7 38.6 24.7 34.5 27 27 A K E +a 89 0A 64 -2,-0.3 94,-3.3 61,-0.2 93,-1.6 -0.954 14.0 178.3-121.5 133.8 35.0 24.6 35.1 28 28 A V E -ab 90 121A 0 61,-1.7 63,-2.3 -2,-0.5 2,-0.6 -0.977 20.1-147.5-103.7 130.2 32.3 25.5 32.5 29 29 A A E -ab 91 122A 0 92,-1.8 94,-1.9 -2,-0.5 2,-0.9 -0.911 9.3-143.0 -98.3 129.5 28.7 25.1 33.7 30 30 A V E -ab 92 123A 2 61,-2.4 2,-1.1 -2,-0.6 63,-1.0 -0.783 13.2-161.4 -97.8 101.8 26.5 24.1 30.9 31 31 A I E +ab 93 124A 1 92,-3.3 94,-0.7 -2,-0.9 63,-0.2 -0.776 52.6 88.9 -94.5 89.6 23.2 26.0 31.6 32 32 A D E S-a 94 0A 1 61,-1.9 64,-2.4 -2,-1.1 63,-2.4 -0.388 93.1 -63.4-148.5-129.6 20.7 24.1 29.5 33 33 A S S S- 0 0 3 1,-0.3 2,-0.3 61,-0.2 28,-0.2 0.619 90.6 -48.3-121.8 1.9 18.4 21.1 29.9 34 34 A G - 0 0 3 59,-0.2 -1,-0.3 26,-0.1 35,-0.2 -0.998 31.6-129.4 152.3-171.3 20.8 18.1 30.5 35 35 A I - 0 0 1 -2,-0.3 2,-0.4 22,-0.2 57,-0.1 -0.659 27.3-128.8 172.9 105.4 23.8 16.0 29.7 36 36 A D > - 0 0 31 -2,-0.2 3,-1.0 1,-0.2 6,-0.1 -0.589 16.0-162.9 -78.0 127.5 23.7 12.1 29.3 37 37 A S T 3 S+ 0 0 59 21,-0.5 -1,-0.2 -2,-0.4 7,-0.1 0.745 87.1 61.3 -87.9 -8.2 26.4 10.8 31.5 38 38 A S T 3 S+ 0 0 92 5,-0.1 -1,-0.3 3,-0.1 174,-0.1 0.337 76.4 123.5 -95.8 12.0 26.5 7.3 29.8 39 39 A H X - 0 0 3 -3,-1.0 3,-4.9 1,-0.1 169,-0.0 -0.631 63.0-141.5 -77.4 114.2 27.5 9.3 26.5 40 40 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 0.686 99.5 49.5 -52.3 -18.2 30.9 7.7 25.4 41 41 A D T 3 S+ 0 0 4 34,-0.1 34,-4.3 33,-0.1 2,-0.4 0.400 100.9 78.3 -91.7 -10.1 32.2 11.0 24.4 42 42 A L < - 0 0 17 -3,-4.9 2,-0.5 32,-0.2 32,-0.1 -0.899 46.9-174.2-110.4 142.8 31.3 12.9 27.6 43 43 A K - 0 0 185 -2,-0.4 2,-0.3 30,-0.3 47,-0.3 -0.984 18.7-167.6-119.5 109.5 32.9 13.1 31.1 44 44 A V - 0 0 25 -2,-0.5 47,-0.2 1,-0.1 3,-0.1 -0.682 14.3-162.0-103.4 139.7 30.7 15.1 33.3 45 45 A A - 0 0 51 45,-2.5 2,-0.3 1,-0.4 46,-0.2 0.767 53.5 -79.4 -96.3 -38.2 32.0 16.2 36.5 46 46 A G E +c 91 0A 15 44,-1.6 46,-4.5 11,-0.1 -1,-0.4 -0.984 51.5 160.9 172.3-146.1 28.8 17.0 38.2 47 47 A G E -c 92 0A 21 44,-0.4 46,-0.3 -2,-0.3 2,-0.2 -0.922 27.3-117.7 153.4-126.4 26.0 19.7 38.5 48 48 A A E -c 93 0A 27 44,-3.3 46,-3.0 -2,-0.3 2,-0.5 -0.748 20.6-101.4 164.0 163.3 22.4 19.9 39.7 49 49 A S E -c 94 0A 32 -2,-0.2 46,-0.2 44,-0.2 8,-0.1 -0.823 15.5-174.0-105.6 135.8 19.0 20.6 38.6 50 50 A M + 0 0 40 44,-3.3 45,-0.2 -2,-0.5 -1,-0.1 0.257 62.2 102.8 -96.3 19.6 17.0 23.8 39.1 51 51 A V > - 0 0 6 3,-0.3 3,-2.2 43,-0.2 -1,-0.1 -0.832 66.4-147.3-108.1 113.6 14.0 22.3 37.7 52 52 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.613 92.0 36.8 -36.9 -45.4 11.5 21.3 40.3 53 53 A S T 3 S+ 0 0 106 1,-0.2 2,-0.7 2,-0.0 44,-0.0 0.533 101.2 78.4-100.0 -4.3 9.9 18.2 38.7 54 54 A E < - 0 0 52 -3,-2.2 -3,-0.3 1,-0.2 -1,-0.2 -0.756 55.6-176.5-113.8 89.1 13.1 16.7 37.0 55 55 A T + 0 0 124 -2,-0.7 -1,-0.2 1,-0.1 -6,-0.2 0.956 63.4 68.2 -44.2 -89.4 15.2 14.9 39.7 56 56 A P - 0 0 47 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.239 56.2-166.9 -48.5 133.5 18.2 13.9 37.5 57 57 A N S S+ 0 0 8 1,-0.3 -22,-0.2 -2,-0.2 -9,-0.1 0.594 90.0 66.2 -87.8 -4.9 20.3 16.6 36.3 58 58 A F S S+ 0 0 88 -24,-0.1 -21,-0.5 1,-0.1 2,-0.3 -0.299 79.7 95.7-114.0 41.5 21.7 13.9 34.0 59 59 A Q - 0 0 91 -3,-0.5 2,-0.7 -26,-0.2 -23,-0.1 -0.872 48.6-178.0-131.6 97.0 18.5 13.4 32.0 60 60 A D + 0 0 16 -2,-0.3 -26,-0.1 1,-0.2 -24,-0.0 -0.868 18.0 159.7-116.8 114.8 18.2 15.2 28.9 61 61 A D S S+ 0 0 90 -2,-0.7 -1,-0.2 -28,-0.2 -27,-0.1 0.834 79.9 57.1 -92.3 -47.4 14.9 14.8 26.9 62 62 A N S S- 0 0 53 -29,-0.1 -2,-0.1 34,-0.1 -28,-0.0 0.771 92.3-146.7 -64.5 -16.4 15.4 18.0 24.9 63 63 A S S > S+ 0 0 25 1,-0.1 4,-2.0 4,-0.0 -1,-0.1 0.271 74.9 96.0 77.0 -11.4 18.8 16.9 23.5 64 64 A H H > S+ 0 0 49 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.838 72.6 63.6 -79.5 -27.5 20.3 20.3 23.4 65 65 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.987 112.5 36.7 -46.8 -80.2 22.1 20.0 26.8 66 66 A T H 4 S+ 0 0 0 2,-0.2 142,-0.4 1,-0.2 -1,-0.2 0.929 114.7 57.8 -46.3 -57.1 24.3 17.1 25.4 67 67 A H H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 4,-0.4 0.928 113.8 38.0 -41.0 -56.2 24.5 18.8 21.9 68 68 A V H >X S+ 0 0 0 -4,-3.8 3,-2.1 1,-0.3 4,-1.4 0.972 105.6 64.6 -60.9 -65.5 26.0 21.9 23.4 69 69 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.3 0.467 99.6 63.1 -43.9 9.9 28.2 20.1 26.0 70 70 A G H <> S+ 0 0 2 -3,-0.9 4,-1.7 -2,-0.8 -1,-0.2 0.836 95.9 46.9-116.6 -22.7 30.0 18.7 22.9 71 71 A T H <4 S+ 0 0 7 -3,-2.1 13,-4.4 -4,-0.4 14,-0.2 0.881 118.3 50.1 -80.5 -38.5 31.5 21.7 21.1 72 72 A V H < S- 0 0 0 -4,-1.4 13,-5.5 12,-0.3 -2,-0.2 0.971 138.1 -18.7 -49.6 -57.5 32.6 22.5 24.6 73 73 A A H < + 0 0 10 -4,-1.0 -30,-0.3 10,-0.3 2,-0.2 0.008 64.1 162.7-162.9 58.5 34.1 19.0 25.3 74 74 A A < - 0 0 0 -4,-1.7 9,-2.7 -32,-0.1 -32,-0.2 -0.470 56.4 -51.3 -62.1 144.0 33.5 15.6 23.5 75 75 A L - 0 0 11 -34,-4.3 8,-0.4 -2,-0.2 -34,-0.1 0.524 30.9-141.2 21.0-175.2 36.0 12.7 24.0 76 76 A N S S+ 0 0 126 6,-0.1 2,-0.2 11,-0.0 -1,-0.1 -0.294 76.8 53.7-177.3 78.2 39.8 12.4 23.7 77 77 A N S S- 0 0 85 2,-0.3 -75,-0.1 4,-0.3 -36,-0.0 -0.590 105.7 -46.5-176.9-136.4 40.2 8.9 22.1 78 78 A S S S+ 0 0 93 -2,-0.2 2,-0.2 -77,-0.1 -76,-0.1 -0.105 100.2 74.4-121.0 49.7 39.0 6.9 19.1 79 79 A I S S- 0 0 64 2,-0.2 -2,-0.3 -39,-0.1 -76,-0.2 -0.728 90.3 -18.9-156.6 165.4 35.2 7.5 19.0 80 80 A G S S- 0 0 11 -2,-0.2 -77,-2.0 -78,-0.2 134,-0.1 0.131 92.1 -45.6 27.8-125.5 32.8 10.4 18.0 81 81 A V - 0 0 12 -79,-0.2 -4,-0.3 -77,-0.0 2,-0.2 0.102 53.6 -84.5-111.2-127.6 34.2 13.9 17.8 82 82 A L - 0 0 21 -12,-0.2 -7,-0.2 -80,-0.1 -74,-0.1 -0.546 27.1-146.5-164.6 105.1 36.3 16.5 19.4 83 83 A G - 0 0 0 -9,-2.7 -10,-0.3 -8,-0.4 -11,-0.2 -0.026 14.4-134.3 -69.3 166.4 35.5 19.0 22.0 84 84 A V S S+ 0 0 0 -13,-4.4 -11,-0.3 1,-0.3 -12,-0.3 0.927 106.7 29.5-100.2 -9.5 36.9 22.4 22.3 85 85 A A S > S+ 0 0 0 -13,-5.5 3,-2.3 -14,-0.2 -1,-0.3 -0.620 81.7 170.9-124.3 60.8 37.7 22.5 26.0 86 86 A P T 3 + 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -63,-0.1 0.421 69.0 44.1 -53.9 -3.9 38.2 18.9 25.8 87 87 A S T 3 S+ 0 0 32 -65,-2.0 -64,-0.2 -3,-0.1 -61,-0.2 0.371 81.7 126.1-124.1 -2.6 39.6 18.8 29.3 88 88 A S < - 0 0 15 -3,-2.3 2,-0.7 -66,-0.6 -61,-0.2 0.232 66.9-115.8 -54.4 166.2 37.3 21.0 31.4 89 89 A A E -a 27 0A 22 -63,-4.8 -61,-1.7 -66,-0.3 2,-0.6 -0.950 43.9-153.3-101.0 123.9 35.6 20.0 34.5 90 90 A L E -a 28 0A 1 -2,-0.7 -45,-2.5 -47,-0.3 -44,-1.6 -0.833 9.2-153.7-119.8 123.0 32.0 20.3 33.2 91 91 A Y E -ac 29 46A 43 -63,-2.3 -61,-2.4 -2,-0.6 2,-1.5 -0.895 8.9-144.6-104.0 102.1 29.1 21.0 35.4 92 92 A A E +ac 30 47A 0 -46,-4.5 -44,-3.3 -2,-0.7 2,-0.6 -0.572 26.1 175.9 -72.3 95.4 25.7 19.8 34.3 93 93 A V E -ac 31 48A 1 -2,-1.5 -61,-1.9 -63,-1.0 2,-0.6 -0.871 13.3-157.6-101.2 113.5 23.3 22.5 35.5 94 94 A K E +ac 32 49A 3 -46,-3.0 -44,-3.3 -2,-0.6 -61,-0.2 -0.881 35.8 140.3 -92.1 124.4 19.8 22.0 34.5 95 95 A V + 0 0 2 -63,-2.4 8,-0.5 -2,-0.6 2,-0.4 0.470 51.5 93.0-135.6 -2.5 17.2 24.9 34.3 96 96 A L E -J 102 0B 35 -64,-2.4 2,-0.3 6,-0.1 6,-0.1 -0.726 65.8-136.4 -96.6 138.2 15.3 24.0 31.2 97 97 A G E >> -J 101 0B 2 4,-1.1 3,-2.9 -2,-0.4 4,-2.6 -0.621 34.0 -94.3 -82.5 141.3 12.2 22.0 31.1 98 98 A D T 34 S+ 0 0 90 -2,-0.3 3,-0.2 1,-0.3 -1,-0.2 -0.035 116.8 29.4 -48.5 149.9 11.6 19.3 28.6 99 99 A A T 34 S- 0 0 97 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.276 144.8 -58.9 82.4 -27.7 9.7 20.8 25.7 100 100 A G T <4 - 0 0 44 -3,-2.9 -2,-0.2 1,-0.1 2,-0.2 0.738 64.9-165.2 121.8 36.2 11.3 24.0 26.4 101 101 A S E < -J 97 0B 39 -4,-2.6 -4,-1.1 -3,-0.2 2,-0.5 -0.275 4.6-168.9 -68.9 120.6 10.4 25.0 30.0 102 102 A G E +J 96 0B 61 -2,-0.2 2,-0.9 -6,-0.1 -6,-0.1 -0.662 20.6 155.8-103.7 55.1 11.3 28.8 30.4 103 103 A Q >> - 0 0 101 -2,-0.5 3,-3.0 -8,-0.5 4,-1.5 -0.861 27.5-161.6 -97.9 110.0 11.1 29.7 34.1 104 104 A Y H 3> S+ 0 0 55 -2,-0.9 4,-2.2 1,-0.3 -1,-0.1 0.749 93.2 61.4 -49.2 -27.5 13.3 32.7 34.7 105 105 A S H 3> S+ 0 0 53 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.723 103.1 51.3 -77.2 -15.7 13.3 31.9 38.3 106 106 A W H <> S+ 0 0 51 -3,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.824 107.7 54.2 -79.4 -43.1 15.0 28.5 37.3 107 107 A I H X S+ 0 0 9 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.967 109.1 45.7 -59.5 -55.9 17.6 30.4 35.3 108 108 A I H X S+ 0 0 31 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.972 111.8 47.8 -58.0 -57.9 18.7 32.7 38.2 109 109 A N H X S+ 0 0 92 -4,-1.5 4,-2.4 1,-0.2 5,-0.3 0.921 109.7 59.8 -57.5 -24.6 19.0 30.0 41.0 110 110 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.3 -2,-0.2 0.937 103.7 46.5 -63.8 -58.4 21.0 28.1 38.2 111 111 A I H >X S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 4,-1.1 0.962 112.8 58.5 -49.5 -55.9 23.6 31.0 38.0 112 112 A E H >X S+ 0 0 60 -4,-2.8 4,-2.7 1,-0.3 3,-1.4 0.819 101.5 45.5 -29.3 -76.8 23.5 30.7 41.8 113 113 A W H 3X S+ 0 0 61 -4,-2.4 4,-0.8 1,-0.3 -1,-0.3 0.767 112.7 56.9 -35.5 -31.3 24.5 27.2 42.3 114 114 A A H <<>S+ 0 0 0 -4,-1.8 5,-1.6 -3,-1.4 -1,-0.3 0.715 107.5 45.2 -69.9 -39.6 27.1 28.1 39.8 115 115 A I H X<5S+ 0 0 36 -3,-1.4 3,-2.6 -4,-1.1 4,-0.2 0.966 108.3 59.6 -62.7 -58.8 28.4 31.0 42.0 116 116 A A H 3<5S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.652 108.0 41.8 -61.4 -20.8 28.3 28.8 45.0 117 117 A N T 3<5S- 0 0 70 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.1 0.156 115.0-105.4-116.2 34.0 30.8 26.1 43.6 118 118 A N T < 5 - 0 0 129 -3,-2.6 2,-0.3 1,-0.1 -3,-0.2 0.964 44.0-170.2 54.6 69.0 33.2 28.4 42.1 119 119 A M < - 0 0 6 -5,-1.6 -91,-0.1 -4,-0.2 -1,-0.1 -0.646 8.8-165.7 -77.7 150.0 32.5 28.1 38.3 120 120 A D S S+ 0 0 61 -93,-1.6 28,-1.9 1,-0.3 2,-0.4 0.814 76.7 35.3-111.2 -34.7 35.2 29.9 36.2 121 121 A V E S-bd 28 148A 0 -94,-3.3 -92,-1.8 26,-0.2 2,-0.5 -0.935 70.8-160.6-128.4 128.5 33.3 29.9 33.0 122 122 A I E -bd 29 149A 0 26,-3.2 28,-3.1 -2,-0.4 2,-0.5 -0.956 7.3-172.2-116.9 132.6 29.5 30.3 32.7 123 123 A N E +bd 30 150A 1 -94,-1.9 -92,-3.3 -2,-0.5 2,-0.5 -0.915 13.2 169.7-134.9 120.2 27.5 29.2 29.5 124 124 A M E -bd 31 151A 0 26,-2.9 28,-1.4 -2,-0.5 2,-1.0 -0.939 7.6-177.2-118.7 92.8 23.9 29.9 28.9 125 125 A S + 0 0 4 -94,-0.7 2,-0.2 -2,-0.5 96,-0.1 -0.496 66.6 74.8 -91.4 48.6 23.0 29.0 25.2 126 126 A L + 0 0 28 -2,-1.0 26,-0.4 26,-0.2 2,-0.3 -0.786 49.1 143.1-133.7-170.1 19.4 30.3 25.9 127 127 A G - 0 0 46 -2,-0.2 26,-0.1 41,-0.1 3,-0.1 -0.943 27.1-135.1 156.6-175.3 17.8 33.8 26.3 128 128 A G B -K 167 0C 13 39,-2.0 39,-2.4 -2,-0.3 41,-0.1 -0.998 29.7-101.6-160.1 177.8 14.5 35.6 25.4 129 129 A P S S+ 0 0 136 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.876 105.0 53.1 -78.6 -25.5 12.8 38.7 24.0 130 130 A S - 0 0 84 1,-0.1 37,-0.2 37,-0.1 2,-0.0 -0.670 69.3-164.5-110.5 146.1 11.9 40.0 27.6 131 131 A G - 0 0 23 -2,-0.3 2,-0.2 35,-0.1 -1,-0.1 -0.012 6.0-139.3 -96.8-142.6 14.2 40.5 30.5 132 132 A S > - 0 0 54 1,-0.1 4,-1.7 -2,-0.0 5,-0.3 -0.816 25.4-115.8 164.2 139.0 13.9 41.0 34.2 133 133 A A H > S+ 0 0 92 -2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.922 113.9 45.2 -49.4 -47.8 15.4 43.0 36.9 134 134 A A H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.1 5,-0.4 0.987 103.9 62.9 -66.0 -56.2 16.9 39.9 38.8 135 135 A L H > S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.853 110.6 38.5 -37.8 -61.3 18.3 38.2 35.7 136 136 A K H X S+ 0 0 84 -4,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.811 111.0 63.8 -69.9 -17.7 20.6 41.1 35.1 137 137 A A H X S+ 0 0 50 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.926 113.0 32.2 -61.9 -65.5 21.1 41.3 38.9 138 138 A A H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.874 109.8 64.7 -58.9 -41.3 22.7 37.9 39.0 139 139 A V H X S+ 0 0 0 -4,-3.0 4,-1.1 -5,-0.4 5,-0.2 0.948 106.6 46.1 -49.8 -42.7 24.2 38.2 35.7 140 140 A D H >X S+ 0 0 63 -4,-2.2 4,-1.9 -3,-0.2 3,-0.9 0.997 107.1 58.7 -64.7 -55.8 26.2 41.0 37.3 141 141 A K H >X S+ 0 0 103 -4,-1.8 4,-2.7 1,-0.2 3,-0.9 0.969 100.5 54.3 -35.3 -64.2 27.0 38.9 40.4 142 142 A A H 3X>S+ 0 0 0 -4,-2.8 5,-4.0 1,-0.3 4,-1.6 0.881 114.6 39.8 -54.5 -33.9 28.8 36.0 38.5 143 143 A V H <<5S+ 0 0 30 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.788 111.4 60.2 -80.1 -23.0 31.2 38.3 36.8 144 144 A A H <<5S+ 0 0 85 -4,-1.9 -2,-0.2 -3,-0.9 -3,-0.2 0.985 109.5 40.5 -64.9 -52.7 31.5 40.3 40.0 145 145 A S H <5S- 0 0 95 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.976 136.9 -87.0 -63.6 -44.8 32.8 37.3 41.9 146 146 A G T <5S+ 0 0 32 -4,-1.6 2,-0.5 -5,-0.5 -3,-0.3 0.485 79.5 136.0 137.5 34.9 34.9 36.4 38.8 147 147 A V < - 0 0 6 -5,-4.0 2,-0.9 -6,-0.3 -26,-0.2 -0.888 49.4-133.5-103.2 150.9 32.9 34.3 36.4 148 148 A V E -d 121 0A 4 -28,-1.9 -26,-3.2 -2,-0.5 2,-0.6 -0.760 21.7-150.7-104.2 107.9 32.9 34.9 32.7 149 149 A V E -d 122 0A 2 -2,-0.9 26,-2.4 24,-0.5 2,-0.4 -0.703 17.6-178.5 -95.8 116.8 29.3 34.8 31.6 150 150 A V E +de 123 175A 1 -28,-3.1 -26,-2.9 -2,-0.6 2,-0.3 -0.980 7.8 165.5-120.0 125.2 28.9 33.6 28.0 151 151 A A E -de 124 176A 0 24,-1.9 26,-1.7 -2,-0.4 -26,-0.2 -0.887 43.4 -95.9-137.3 167.1 25.5 33.3 26.1 152 152 A A E - e 0 177A 5 -28,-1.4 17,-0.4 -26,-0.4 -26,-0.2 -0.501 29.1-148.6 -77.2 138.9 23.8 32.9 22.9 153 153 A A - 0 0 1 24,-1.3 13,-3.1 67,-0.2 2,-0.2 0.870 55.6 -98.1 -86.1 -34.1 22.8 36.4 21.6 154 154 A G - 0 0 13 23,-0.5 37,-2.2 11,-0.2 -1,-0.2 -0.549 15.5 -97.1 132.6 160.0 19.9 34.9 20.0 155 155 A N S S+ 0 0 71 35,-0.2 35,-0.2 -2,-0.2 2,-0.1 -0.301 77.3 104.8-108.3 52.7 18.3 33.5 16.8 156 156 A E - 0 0 118 8,-0.2 2,-0.2 -2,-0.2 3,-0.1 -0.318 52.3-156.2-105.3-149.4 16.2 36.5 15.4 157 157 A G - 0 0 12 1,-0.5 35,-0.5 -2,-0.1 7,-0.3 -0.320 48.1 -27.0-145.2-118.0 17.5 38.4 12.4 158 158 A S + 0 0 81 30,-0.2 -1,-0.5 -2,-0.2 2,-0.2 -0.543 41.4 174.7 -96.5 177.4 16.7 41.9 11.4 159 159 A T S > S- 0 0 98 1,-0.3 3,-1.1 -2,-0.2 2,-0.2 -0.539 80.2 -62.0-176.6 98.9 13.4 43.7 12.3 160 160 A G T 3 S- 0 0 64 1,-0.3 -1,-0.3 -2,-0.2 0, 0.0 -0.331 93.9 -53.1 39.1-110.0 14.4 47.0 10.9 161 161 A S T 3 S+ 0 0 97 -2,-0.2 -1,-0.3 -3,-0.2 3,-0.0 0.258 105.0 103.1-130.6 -8.4 17.5 48.2 12.9 162 162 A S S < S- 0 0 95 -3,-1.1 2,-0.6 1,-0.1 -3,-0.2 0.018 82.3 -79.2 -75.8-162.8 16.4 48.0 16.5 163 163 A S + 0 0 27 1,-0.1 30,-0.1 -5,-0.1 -1,-0.1 -0.869 34.7 179.6-122.3 135.2 17.8 45.0 18.3 164 164 A T + 0 0 21 28,-1.7 2,-0.4 -2,-0.6 -8,-0.2 0.279 46.6 120.1-105.8 19.2 17.0 41.3 18.5 165 165 A V - 0 0 5 27,-0.6 -11,-0.2 26,-0.1 2,-0.1 -0.637 56.6-144.1 -76.3 139.1 19.7 40.1 20.9 166 166 A G > - 0 0 11 -13,-3.1 4,-1.6 -2,-0.4 5,-0.2 -0.277 24.1 -46.0 -92.3-174.2 17.9 38.7 23.7 167 167 A Y B 4 S+K 128 0C 55 -39,-2.4 -39,-2.0 1,-0.3 -1,-0.1 -0.719 115.3 15.0 -98.4 144.8 18.3 38.5 27.4 168 168 A P T >4 S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 -0.992 123.1 63.4 -84.3 8.1 20.7 37.8 29.3 169 169 A G T 34 S+ 0 0 0 -17,-0.4 -2,-0.3 1,-0.2 5,-0.3 0.823 99.1 56.0 -63.4 -42.4 22.9 38.3 26.2 170 170 A K T 3< S+ 0 0 46 -4,-1.6 -1,-0.2 -17,-0.2 -3,-0.1 0.619 83.4 95.3 -62.2 -21.3 21.9 42.2 25.9 171 171 A Y S X S- 0 0 18 -3,-0.8 3,-1.6 -5,-0.2 -5,-0.0 -0.637 84.4-128.8 -85.0 117.8 23.0 42.9 29.3 172 172 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.345 95.8 70.9 -55.6 -3.4 26.6 44.2 29.0 173 173 A S T 3 S+ 0 0 26 -37,-0.1 -24,-0.5 2,-0.0 2,-0.2 0.371 92.5 83.7 -98.0 7.9 28.5 42.0 31.5 174 174 A V S < S- 0 0 0 -3,-1.6 2,-0.8 -5,-0.3 -24,-0.2 -0.636 77.1-130.8-106.5 158.6 28.0 39.2 29.1 175 175 A I E -e 150 0A 9 -26,-2.4 -24,-1.9 -2,-0.2 2,-0.4 -0.911 29.4-160.8-108.0 103.9 29.7 37.9 26.0 176 176 A A E -e 151 0A 0 -2,-0.8 22,-2.1 19,-0.3 21,-1.0 -0.743 5.5-144.2 -92.5 131.5 27.0 37.4 23.4 177 177 A V E -ef 152 198A 0 -26,-1.7 -24,-1.3 -2,-0.4 -23,-0.5 -0.883 11.4-168.5-111.3 116.2 27.7 35.1 20.4 178 178 A G E - f 0 199A 0 20,-2.6 22,-4.1 -2,-0.7 2,-0.5 -0.552 28.5-114.7 -76.5 143.8 26.5 35.6 17.0 179 179 A A E + f 0 200A 0 20,-0.3 8,-2.3 -2,-0.2 2,-0.3 -0.765 31.7 175.3-100.2 134.4 26.9 32.6 14.4 180 180 A V E -Gf 186 201A 0 20,-2.0 22,-1.9 -2,-0.5 23,-1.2 -0.772 23.7-125.4-116.1 167.7 29.0 32.6 11.4 181 181 A D > - 0 0 48 4,-1.7 3,-1.7 -2,-0.3 23,-0.1 -0.460 44.6 -83.1-103.3-164.7 29.7 29.7 8.9 182 182 A S T 3 S+ 0 0 72 1,-0.2 -2,-0.0 -2,-0.1 -1,-0.0 0.509 133.1 54.7 -73.6 -1.7 33.0 28.3 7.8 183 183 A S T 3 S- 0 0 80 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.189 115.0-118.7-114.7 16.2 33.2 31.2 5.2 184 184 A N < + 0 0 46 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.747 66.4 144.1 54.2 22.6 32.7 33.7 8.1 185 185 A Q - 0 0 115 1,-0.0 -4,-1.7 73,-0.0 2,-0.4 -0.780 60.1-109.1 -75.7 143.0 29.4 35.0 6.5 186 186 A R B -G 180 0A 45 -2,-0.4 -6,-0.3 -6,-0.2 77,-0.1 -0.547 36.3-109.4 -82.2 133.4 27.0 35.8 9.3 187 187 A A > - 0 0 9 -8,-2.3 3,-2.5 -2,-0.4 -8,-0.2 -0.336 21.6-121.0 -57.2 131.4 24.2 33.3 9.4 188 188 A S T 3 S+ 0 0 105 1,-0.3 -30,-0.2 -2,-0.1 -1,-0.1 0.766 111.1 50.8 -49.9 -32.7 20.8 34.7 8.3 189 189 A F T 3 S+ 0 0 60 -32,-0.1 2,-0.8 2,-0.0 -1,-0.3 0.367 79.5 115.6 -87.9 12.3 19.3 33.8 11.7 190 190 A S S < S- 0 0 0 -3,-2.5 -35,-0.2 -11,-0.2 -12,-0.1 -0.585 70.3-116.7 -94.1 131.2 21.9 35.4 13.9 191 191 A S - 0 0 0 -37,-2.2 2,-0.4 -2,-0.8 -37,-0.1 0.073 25.7-140.6 -56.0 160.6 20.5 38.3 16.0 192 192 A V + 0 0 0 -35,-0.5 -28,-1.7 -30,-0.1 -27,-0.6 -0.970 37.3 125.0-137.1 140.7 21.9 41.9 15.4 193 193 A G > - 0 0 0 68,-1.8 3,-0.7 -2,-0.4 71,-0.2 -0.994 66.9-105.8 177.3 164.5 22.6 44.4 18.0 194 194 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 0.772 119.7 61.1 -61.3 -31.3 25.0 46.8 19.7 195 195 A E T 3 S+ 0 0 58 66,-0.1 2,-0.6 -3,-0.0 -19,-0.3 0.007 75.0 113.7 -93.9 0.3 25.1 44.3 22.4 196 196 A L < + 0 0 4 -3,-0.7 -19,-0.1 1,-0.2 68,-0.1 -0.814 42.2 179.1 -84.3 111.4 26.5 41.7 20.0 197 197 A D - 0 0 32 -21,-1.0 68,-2.8 -2,-0.6 2,-0.3 0.869 53.4 -6.7 -84.5 -62.0 30.1 41.0 21.3 198 198 A V E -f 177 0A 2 -22,-2.1 -20,-2.6 66,-0.3 2,-0.4 -0.869 59.4-122.2-137.4 166.8 31.7 38.3 19.0 199 199 A M E +fh 178 267A 0 67,-3.1 69,-1.0 -2,-0.3 -20,-0.3 -0.910 33.6 173.0-105.7 148.1 30.9 36.0 16.2 200 200 A A E -f 179 0A 0 -22,-4.1 -20,-2.0 -2,-0.4 2,-0.3 -0.973 44.8 -65.9-161.4 162.4 31.3 32.1 16.2 201 201 A P E +f 180 0A 0 0, 0.0 25,-0.3 0, 0.0 -20,-0.1 -0.107 61.9 144.3 -54.1 96.5 30.8 28.9 14.6 202 202 A G + 0 0 0 -22,-1.9 17,-3.0 -2,-0.3 2,-0.5 0.577 40.5 88.0-115.2 -7.7 26.9 28.5 14.6 203 203 A V S S- 0 0 31 -23,-1.2 15,-0.2 15,-0.2 3,-0.2 -0.728 106.5 -17.8-107.7 137.4 26.0 26.7 11.3 204 204 A S S S+ 0 0 62 -2,-0.5 2,-0.8 1,-0.2 -1,-0.2 0.925 80.6 170.5 41.1 60.2 25.9 23.0 10.9 205 205 A I E -L 217 0D 5 12,-2.5 12,-2.0 -3,-0.3 2,-0.5 -0.830 23.3-146.0 -99.3 112.8 28.0 22.5 14.1 206 206 A Q E +L 216 0D 75 -2,-0.8 10,-0.3 10,-0.3 2,-0.2 -0.642 30.2 150.7 -91.2 126.0 27.9 18.8 14.8 207 207 A S E -L 215 0D 1 8,-3.7 8,-5.1 -2,-0.5 -140,-0.2 -0.694 42.1 -47.9-143.6-172.9 27.9 17.5 18.3 208 208 A T E -L 214 0D 0 -141,-0.4 6,-0.3 -142,-0.4 -138,-0.1 -0.239 42.9-178.0 -66.8 143.9 26.9 14.8 20.8 209 209 A L E > -L 213 0D 25 4,-2.3 4,-1.3 -143,-0.1 -145,-0.1 -0.960 33.5 -91.3-146.8 137.8 23.4 13.4 21.0 210 210 A P T 4 S+ 0 0 33 0, 0.0 4,-0.1 0, 0.0 -171,-0.0 -0.162 94.7 46.5 -54.0 150.9 22.0 10.8 23.4 211 211 A G T 4 S- 0 0 51 2,-0.1 3,-0.1 -173,-0.0 -172,-0.1 0.814 133.5 -52.4 79.6 76.1 21.9 7.0 22.8 212 212 A N T 4 S+ 0 0 122 1,-0.2 2,-0.3 -174,-0.1 -173,-0.1 0.972 114.5 115.4 44.5 53.4 25.3 6.4 21.6 213 213 A K E < -L 209 0D 117 -4,-1.3 -4,-2.3 2,-0.0 2,-0.3 -0.864 48.3-159.5-146.3 175.6 24.9 9.1 19.0 214 214 A Y E +L 208 0D 58 -6,-0.3 -6,-0.3 -2,-0.3 2,-0.3 -0.934 19.0 167.3-155.6 153.1 26.0 12.6 17.6 215 215 A G E -L 207 0D 9 -8,-5.1 -8,-3.7 -2,-0.3 2,-0.4 -0.932 28.0 -97.1-169.1 173.1 24.3 15.1 15.3 216 216 A A E -L 206 0D 55 -10,-0.3 2,-0.3 -2,-0.3 -10,-0.3 -0.907 26.7-178.6-115.9 145.8 24.3 18.6 13.9 217 217 A Y E -L 205 0D 98 -12,-2.0 -12,-2.5 -2,-0.4 2,-0.5 -0.864 23.4-140.8-137.6 153.1 22.5 21.9 14.7 218 218 A N + 0 0 85 -2,-0.3 2,-0.3 -14,-0.2 -15,-0.2 -0.976 49.7 133.3-110.7 120.8 22.3 25.5 13.4 219 219 A G >> - 0 0 1 -17,-3.0 3,-2.2 -2,-0.5 4,-1.4 -0.911 68.5-133.8-168.3 135.1 22.1 27.9 16.4 220 220 A T H 3> S+ 0 0 2 -2,-0.3 4,-1.5 1,-0.3 -67,-0.2 0.693 118.5 62.4 -61.6 -7.8 23.4 31.0 17.9 221 221 A S H 34 S+ 0 0 8 1,-0.2 -1,-0.3 2,-0.2 -69,-0.1 0.495 95.6 53.0-107.2 9.5 23.4 28.5 20.7 222 222 A M H <> S+ 0 0 3 -3,-2.2 4,-0.7 -20,-0.2 -1,-0.2 0.514 112.1 49.9-101.6 -27.2 26.0 26.0 19.0 223 223 A A H >X S+ 0 0 0 -4,-1.4 3,-1.6 -46,-0.2 4,-1.4 0.952 97.6 64.2 -78.1 -44.1 28.3 29.0 18.6 224 224 A S H 3X S+ 0 0 0 -4,-1.5 4,-1.4 -47,-0.4 -1,-0.1 0.806 99.6 55.8 -41.0 -33.8 28.0 30.1 22.1 225 225 A P H 3> S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.979 102.5 53.7 -78.9 -35.7 29.7 26.8 23.1 226 226 A H H XX S+ 0 0 2 -3,-1.6 4,-1.9 -4,-0.7 3,-1.0 0.946 109.6 50.8 -54.7 -57.0 32.8 27.4 20.9 227 227 A V H 3X S+ 0 0 8 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.742 104.4 54.7 -48.6 -55.0 33.2 30.7 22.6 228 228 A A H 3X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.647 111.0 46.0 -50.6 -33.0 33.0 29.4 26.3 229 229 A G H X S+ 0 0 1 -4,-1.1 4,-3.9 2,-0.2 3,-1.0 0.957 103.7 55.8 -47.4 -48.9 38.0 30.8 27.4 232 232 A A H 3< S+ 0 0 0 -4,-1.4 4,-0.2 1,-0.3 -1,-0.2 0.757 113.7 39.3 -40.2 -57.4 38.6 27.7 29.5 233 233 A L H 3X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -1,-0.3 0.384 108.5 61.0 -73.5 -17.5 41.6 27.0 28.0 234 234 A I H XX S+ 0 0 0 -3,-1.0 4,-2.4 -4,-1.0 3,-1.0 0.951 112.4 43.5 -65.8 -55.8 42.5 30.7 27.9 235 235 A L H 3< S+ 0 0 15 -4,-3.9 -2,-0.2 1,-0.3 -1,-0.2 0.778 104.5 63.0 -56.3 -32.4 42.2 30.3 31.6 236 236 A S H 34 S+ 0 0 27 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.817 112.2 37.0 -63.2 -35.3 44.1 27.0 31.6 237 237 A K H << S+ 0 0 41 -4,-1.3 -2,-0.2 -3,-1.0 -3,-0.1 0.944 133.2 27.1 -81.1 -47.4 47.2 28.8 30.3 238 238 A H S >< S+ 0 0 28 -4,-2.4 3,-2.8 -5,-0.2 -1,-0.2 -0.408 75.7 158.9-110.0 47.8 46.7 32.0 32.3 239 239 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.443 72.1 57.5 -52.2 -3.6 44.8 30.4 35.1 240 240 A N T 3 S+ 0 0 134 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.1 0.650 83.3 116.7 -96.5 -25.4 45.7 33.3 37.3 241 241 A W S < S- 0 0 42 -3,-2.8 2,-0.1 -7,-0.1 -7,-0.0 0.061 70.7-104.0 -45.6 144.9 44.1 35.8 34.9 242 242 A T > - 0 0 76 1,-0.1 4,-2.6 -95,-0.0 -1,-0.1 -0.365 23.2-114.8 -69.8 165.8 41.1 37.9 36.0 243 243 A N H > S+ 0 0 22 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.840 127.0 39.4 -66.4 -30.9 37.5 37.2 34.9 244 244 A T H >> S+ 0 0 80 2,-0.2 4,-2.0 1,-0.1 3,-0.6 0.828 103.4 64.5 -85.0 -34.9 38.0 40.6 33.2 245 245 A Q H 3> S+ 0 0 87 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.943 108.9 49.6 -48.3 -45.8 41.6 40.0 32.1 246 246 A V H 3< S+ 0 0 0 -4,-2.6 4,-0.3 2,-0.2 -1,-0.3 0.781 103.2 50.1 -61.9 -30.0 39.8 37.4 30.1 247 247 A R H XX S+ 0 0 49 -4,-0.6 3,-2.9 -3,-0.6 4,-2.0 0.989 113.2 53.3 -75.5 -59.0 36.9 39.2 28.4 248 248 A S H 3X S+ 0 0 52 -4,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.784 103.7 50.8 -43.9 -52.2 39.5 41.7 27.3 249 249 A S H 3< S+ 0 0 26 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.569 115.9 48.8 -60.8 -9.4 41.9 39.2 25.7 250 250 A L H X4 S+ 0 0 12 -3,-2.9 3,-0.7 -4,-0.3 4,-0.4 0.788 109.0 46.0 -98.9 -42.2 38.8 38.0 23.9 251 251 A Q H >< S+ 0 0 23 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.919 115.0 48.7 -70.3 -47.7 37.3 41.2 22.6 252 252 A N T 3< S+ 0 0 127 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 0.051 108.3 46.3 -84.7 25.0 40.6 42.5 21.3 253 253 A T T < S+ 0 0 41 -3,-0.7 -1,-0.2 2,-0.1 19,-0.2 0.409 78.2 115.5-141.8 -0.2 42.1 39.6 19.3 254 254 A T S < S- 0 0 25 -3,-0.6 2,-0.5 -4,-0.4 14,-0.3 0.114 74.6 -94.4 -62.0-172.6 39.4 38.2 17.1 255 255 A T B -I 267 0A 66 12,-5.7 12,-3.0 0, 0.0 2,-0.2 -0.911 42.8-119.3 -93.5 122.3 39.3 38.2 13.4 256 256 A K + 0 0 200 -2,-0.5 10,-0.2 10,-0.3 9,-0.1 -0.457 36.8 174.1 -72.7 128.5 37.3 41.3 12.1 257 257 A L - 0 0 41 1,-0.4 2,-0.3 7,-0.3 -1,-0.2 0.884 48.3 -55.0-110.7 -37.0 34.3 40.1 10.1 258 258 A G S S- 0 0 32 6,-0.3 -1,-0.4 -73,-0.0 5,-0.3 -0.929 90.8 -12.6 163.7 158.0 32.1 43.0 9.1 259 259 A D >> - 0 0 112 -2,-0.3 4,-2.2 1,-0.2 3,-1.8 0.251 67.6-114.6 -15.6 120.8 30.3 45.8 10.6 260 260 A S H 3> S+ 0 0 85 3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.625 108.4 59.6 -29.9 -38.6 30.0 45.6 14.4 261 261 A F H 34 S+ 0 0 53 2,-0.2 -68,-1.8 1,-0.2 -1,-0.2 0.715 118.0 27.8 -80.9 -22.0 26.1 45.2 14.5 262 262 A Y H <4 S+ 0 0 93 -3,-1.8 -2,-0.2 -70,-0.2 -1,-0.2 0.613 141.9 23.3-100.5 -26.7 25.9 41.9 12.4 263 263 A Y H >< S- 0 0 40 -4,-2.2 3,-1.8 -5,-0.3 -3,-0.2 0.545 79.7-161.1-121.2 -23.3 29.4 40.8 13.5 264 264 A G T 3< S- 0 0 12 -4,-2.0 -6,-0.3 -5,-0.4 -66,-0.3 -0.212 79.1 -18.5 70.7-135.1 30.5 42.4 16.8 265 265 A K T 3 S- 0 0 117 -68,-2.8 -1,-0.3 1,-0.3 2,-0.3 0.533 102.4-124.7 -71.6 -15.9 34.3 42.2 17.2 266 266 A G < + 0 0 0 -3,-1.8 -67,-3.1 -10,-0.2 2,-0.3 -0.703 61.3 3.1 103.7-132.3 34.3 39.5 14.6 267 267 A L B -hI 199 255A 11 -12,-3.0 -12,-5.7 -2,-0.3 2,-0.3 -0.616 66.4-125.4-109.4 131.8 35.8 36.0 15.1 268 268 A I - 0 0 3 -69,-1.0 2,-0.7 -14,-0.3 -14,-0.1 -0.560 19.9-159.1 -69.4 126.0 37.3 34.8 18.3 269 269 A N > - 0 0 26 -2,-0.3 4,-2.7 -19,-0.2 5,-0.3 -0.936 9.6-166.5-111.0 107.6 40.8 33.5 18.0 270 270 A V H > S+ 0 0 0 -2,-0.7 4,-1.9 -259,-0.4 5,-0.3 0.753 91.6 49.9 -56.6 -33.8 41.9 31.2 20.8 271 271 A Q H > S+ 0 0 92 -260,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.957 112.5 43.5 -80.3 -38.4 45.5 31.5 19.7 272 272 A A H 4 S+ 0 0 38 1,-0.2 -2,-0.2 -19,-0.2 -1,-0.1 0.983 122.4 40.7 -64.4 -61.7 45.6 35.3 19.5 273 273 A A H < S+ 0 0 0 -4,-2.7 -2,-0.2 -20,-0.2 -1,-0.2 0.797 115.6 52.6 -57.5 -30.9 43.6 35.6 23.0 274 274 A A H < 0 0 0 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.986 360.0 360.0 -65.7 -69.9 45.5 32.8 24.6 275 275 A Q < 0 0 148 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.233 360.0 360.0 122.6 360.0 49.1 33.9 24.0