==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JUN-00 1E3J . COMPND 2 MOLECULE: NADP(H)-DEPENDENT KETOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BEMISIA ARGENTIFOLII; . AUTHOR M.J.BANFIELD,M.E.SALVUCCI,E.N.BAKER,C.A.SMITH . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 14.7 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 39 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 0 0 3 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 3 2 1 2 1 1 0 1 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 0 1 0 1 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 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 4 A D 0 0 135 0, 0.0 347,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 19.7 54.5 41.6 75.4 2 5 A N + 0 0 3 122,-0.1 16,-1.1 2,-0.1 14,-0.1 -0.350 360.0 173.5-140.2 56.0 57.6 39.4 76.1 3 6 A L E -A 17 0A 23 14,-0.2 121,-1.4 120,-0.1 2,-0.3 -0.401 13.4-173.1 -60.8 142.7 56.9 37.8 79.5 4 7 A S E -AB 16 123A 1 12,-2.1 12,-2.3 119,-0.2 2,-1.0 -0.987 30.0-120.6-143.0 146.7 59.7 35.2 80.2 5 8 A A E -A 15 0A 0 117,-2.7 56,-2.3 -2,-0.3 2,-0.5 -0.794 37.3-170.5 -92.0 102.6 60.3 32.7 82.9 6 9 A V E -AC 14 60A 0 8,-3.0 8,-3.2 -2,-1.0 2,-0.7 -0.823 14.5-151.9-100.8 123.9 63.6 33.7 84.4 7 10 A L E +AC 13 59A 1 52,-2.6 52,-2.3 -2,-0.5 6,-0.2 -0.817 15.4 176.9 -94.6 115.6 65.5 31.5 86.9 8 11 A Y E - 0 0 70 4,-3.4 2,-0.3 -2,-0.7 -1,-0.2 0.768 64.6 -44.6 -87.6 -30.1 67.6 33.6 89.3 9 12 A K E > S-A 12 0A 111 3,-0.8 3,-2.8 36,-0.1 -1,-0.4 -0.930 97.8 -24.5 176.8 177.3 68.9 30.7 91.5 10 13 A Q T 3 S- 0 0 59 -2,-0.3 36,-0.2 1,-0.3 35,-0.1 -0.135 131.4 -4.8 -47.4 124.9 67.5 27.7 93.2 11 14 A N T 3 S+ 0 0 106 34,-3.8 2,-0.8 33,-0.1 -1,-0.3 0.451 105.3 109.7 68.2 3.8 63.8 28.1 93.8 12 15 A D E < +A 9 0A 30 -3,-2.8 -4,-3.4 33,-0.2 -3,-0.8 -0.768 36.5 158.2-112.5 86.9 63.8 31.7 92.5 13 16 A L E -A 7 0A 17 -2,-0.8 2,-0.4 -6,-0.2 -6,-0.2 -0.939 18.4-169.9-111.5 114.4 61.9 31.6 89.2 14 17 A R E -A 6 0A 96 -8,-3.2 -8,-3.0 -2,-0.6 2,-0.9 -0.869 20.9-141.6-112.7 135.7 60.4 34.9 88.2 15 18 A L E +A 5 0A 60 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.787 47.3 144.2 -91.3 104.2 58.0 35.7 85.4 16 19 A E E -A 4 0A 57 -12,-2.3 -12,-2.1 -2,-0.9 -2,-0.0 -0.939 50.3 -88.1-142.1 165.0 59.2 39.0 84.0 17 20 A Q E -A 3 0A 109 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.0 -0.271 35.1-175.9 -67.2 152.1 59.5 41.0 80.8 18 21 A R - 0 0 70 -16,-1.1 -16,-0.0 3,-0.0 105,-0.0 -0.955 37.5 -93.7-142.0 152.5 62.6 40.7 78.6 19 22 A P - 0 0 114 0, 0.0 106,-0.1 0, 0.0 0, 0.0 -0.378 48.2 -99.6 -67.8 156.3 63.3 42.7 75.5 20 23 A I - 0 0 72 1,-0.1 106,-0.1 106,-0.0 -18,-0.0 -0.659 44.8-121.3 -76.0 124.9 62.2 41.1 72.3 21 24 A P - 0 0 43 0, 0.0 105,-0.1 0, 0.0 -1,-0.1 -0.213 16.1-132.6 -65.0 155.4 65.3 39.5 70.6 22 25 A E - 0 0 123 105,-0.1 2,-0.2 7,-0.0 105,-0.1 -0.954 21.6-119.4-115.0 129.0 66.6 40.5 67.2 23 26 A P - 0 0 16 0, 0.0 51,-0.2 0, 0.0 6,-0.1 -0.447 21.0-141.7 -67.7 126.1 67.5 37.8 64.5 24 27 A K > - 0 0 135 -2,-0.2 3,-2.0 49,-0.1 49,-0.3 -0.201 43.9 -79.2 -77.5 179.2 71.0 37.6 63.1 25 28 A E T 3 S+ 0 0 60 1,-0.3 50,-0.8 48,-0.2 51,-0.8 0.817 132.5 34.9 -47.7 -40.5 71.7 36.8 59.5 26 29 A D T 3 S+ 0 0 65 49,-0.2 104,-2.6 48,-0.1 105,-0.4 0.199 108.0 82.1-102.1 12.1 71.2 33.1 60.0 27 30 A E E < -D 129 0B 35 -3,-2.0 46,-3.0 102,-0.3 2,-0.3 -0.594 59.3-143.4-114.6 173.7 68.4 33.1 62.6 28 31 A V E -DE 128 72B 0 100,-1.9 100,-2.0 44,-0.2 2,-0.5 -0.964 18.6-122.9-136.1 153.7 64.7 33.5 62.8 29 32 A L E -DE 127 71B 9 42,-3.7 41,-3.3 -2,-0.3 42,-1.0 -0.848 30.5-158.4 -97.4 127.9 62.4 35.3 65.3 30 33 A L E -DE 126 69B 0 96,-3.9 96,-2.3 -2,-0.5 2,-0.9 -0.899 21.3-149.5-114.7 139.8 59.8 33.0 66.9 31 34 A Q E -DE 125 68B 76 37,-2.6 37,-2.3 -2,-0.4 94,-0.2 -0.895 43.2-126.3 -97.0 105.1 56.6 33.8 68.6 32 35 A M E + E 0 67B 1 92,-1.9 35,-0.3 -2,-0.9 3,-0.1 -0.139 34.8 175.8 -58.8 150.9 56.6 30.8 71.0 33 36 A A E + 0 0 0 33,-2.5 313,-3.0 1,-0.4 314,-0.6 0.706 60.2 5.2-118.8 -57.9 53.7 28.4 71.2 34 37 A Y E -FE 345 66B 49 32,-0.7 32,-1.6 311,-0.3 -1,-0.4 -0.973 50.6-173.0-136.0 149.4 54.4 25.5 73.5 35 38 A V E -FE 344 65B 0 309,-2.0 309,-2.5 -2,-0.3 30,-0.2 -0.948 10.7-157.6-144.2 117.5 57.1 24.6 75.9 36 39 A G E -FE 343 64B 0 28,-3.1 28,-0.7 -2,-0.4 27,-0.6 -0.530 11.7-144.8 -90.3 161.0 57.3 21.2 77.7 37 40 A I E -F 342 0B 5 305,-1.8 305,-0.6 -2,-0.2 2,-0.2 -0.947 15.4-174.6-128.8 151.7 59.3 20.8 80.8 38 41 A C >> - 0 0 32 -2,-0.3 4,-2.2 303,-0.1 3,-0.7 -0.759 46.5 -82.3-133.8-177.7 61.3 17.8 82.1 39 42 A G H 3> S+ 0 0 55 1,-0.3 4,-3.3 -2,-0.2 5,-0.2 0.849 123.2 61.6 -55.3 -35.3 63.2 16.6 85.2 40 43 A S H 3> S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.902 106.2 43.8 -60.3 -43.2 66.2 18.6 84.0 41 44 A D H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.949 114.7 50.7 -66.1 -47.2 64.3 21.9 84.2 42 45 A V H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.914 108.9 51.6 -55.3 -44.0 62.9 20.9 87.6 43 46 A H H X S+ 0 0 79 -4,-3.3 4,-2.2 1,-0.2 6,-0.7 0.886 108.1 50.0 -64.1 -39.5 66.3 20.0 88.8 44 47 A Y H X S+ 0 0 8 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.932 112.4 51.7 -62.1 -39.8 67.8 23.4 87.8 45 48 A Y H < S+ 0 0 22 -4,-2.3 -34,-3.8 2,-0.2 -2,-0.2 0.895 115.6 36.7 -61.3 -48.7 64.8 24.9 89.7 46 49 A E H < S+ 0 0 75 -4,-2.5 -2,-0.2 -36,-0.2 -3,-0.2 0.945 134.9 20.6 -73.0 -50.4 65.2 23.0 93.0 47 50 A H H < S- 0 0 107 -4,-2.2 -37,-0.2 -5,-0.2 -2,-0.2 0.466 93.7-127.3-101.0 -4.9 69.0 22.9 93.2 48 51 A G S < S+ 0 0 9 -4,-1.9 7,-1.9 -5,-0.5 2,-0.2 0.716 87.5 58.7 65.2 20.0 70.0 25.8 90.9 49 52 A R B -J 54 0C 115 -6,-0.7 5,-0.2 5,-0.2 -2,-0.2 -0.879 58.9-159.5-173.7 141.1 72.3 23.4 89.0 50 53 A I S S- 0 0 34 3,-1.7 2,-0.2 -2,-0.2 4,-0.1 0.278 79.8 -35.9-114.0 11.6 72.0 20.1 87.1 51 54 A A S S- 0 0 56 2,-0.5 0, 0.0 -7,-0.0 0, 0.0 -0.775 112.9 -30.8 174.3-125.9 75.6 19.0 87.3 52 55 A D S S+ 0 0 83 -2,-0.2 2,-1.2 2,-0.1 0, 0.0 0.373 117.4 97.7 -95.1 -2.6 78.8 21.0 87.1 53 56 A F - 0 0 114 2,-0.0 -3,-1.7 64,-0.0 -2,-0.5 -0.753 63.9-179.0 -86.2 95.4 76.6 23.1 84.9 54 57 A I B -J 49 0C 80 -2,-1.2 2,-1.3 -5,-0.2 -5,-0.2 -0.843 34.4-122.2-107.3 139.1 75.6 25.7 87.5 55 58 A V + 0 0 16 -7,-1.9 -45,-0.2 -2,-0.4 4,-0.1 -0.621 39.4 165.3 -76.9 96.6 73.2 28.7 87.1 56 59 A K + 0 0 82 -2,-1.3 -1,-0.2 1,-0.1 3,-0.0 0.813 65.4 21.4 -83.2 -33.5 75.5 31.5 88.1 57 60 A D S S- 0 0 123 -3,-0.2 -1,-0.1 1,-0.1 -50,-0.1 -0.879 106.4 -66.1-131.8 161.8 73.4 34.3 86.7 58 61 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -50,-0.2 -0.183 56.6-171.9 -49.3 136.6 69.6 34.6 85.8 59 62 A M E -C 7 0A 3 -52,-2.3 -52,-2.6 -4,-0.1 2,-0.1 -0.991 27.6-119.5-139.3 128.2 68.7 32.4 82.9 60 63 A V E -C 6 0A 8 -2,-0.4 60,-2.4 -54,-0.2 -54,-0.2 -0.470 39.0-140.6 -63.0 136.9 65.5 32.0 80.9 61 64 A I + 0 0 1 -56,-2.3 61,-2.5 61,-0.3 -56,-0.2 -0.403 50.6 78.5 -94.5 169.9 64.3 28.5 81.4 62 65 A G + 0 0 0 58,-0.2 59,-1.8 59,-0.2 60,-0.2 0.395 25.2 172.3 101.9 127.8 62.8 26.1 78.8 63 66 A H + 0 0 8 -27,-0.6 2,-0.7 57,-0.2 50,-0.1 0.350 60.8 80.4-146.5 4.3 64.1 23.8 76.0 64 67 A E E S+E 36 0B 4 -28,-0.7 -28,-3.1 24,-0.1 2,-0.3 -0.769 74.1 138.3-116.0 88.2 61.3 21.6 74.6 65 68 A A E -EG 35 87B 0 -2,-0.7 22,-2.9 22,-0.6 2,-0.3 -0.771 40.0-174.8-137.3 174.1 59.5 24.0 72.3 66 69 A S E +EG 34 86B 0 -32,-1.6 -33,-2.5 20,-0.3 -32,-0.7 -0.908 19.9 150.6-151.1 172.9 57.8 25.1 69.1 67 70 A G E -EG 32 85B 0 18,-2.3 18,-3.0 -35,-0.3 2,-0.4 -0.978 41.3 -75.6 172.8-178.2 56.5 28.4 67.7 68 71 A T E -EG 31 84B 30 -37,-2.3 -37,-2.6 -2,-0.3 2,-0.3 -0.872 39.6-114.9-112.4 135.7 55.8 30.4 64.7 69 72 A V E +E 30 0B 1 14,-3.1 13,-4.0 -2,-0.4 -39,-0.2 -0.478 38.3 166.1 -67.4 124.7 58.3 32.3 62.5 70 73 A V E + 0 0 49 -41,-3.3 2,-0.3 1,-0.4 -1,-0.2 0.799 65.5 4.8-105.7 -41.7 57.6 36.0 62.8 71 74 A K E -E 29 0B 103 -42,-1.0 -42,-3.7 9,-0.1 -1,-0.4 -0.988 64.9-150.7-146.2 146.6 60.8 37.5 61.2 72 75 A V E -E 28 0B 48 -2,-0.3 -44,-0.2 -44,-0.3 -47,-0.1 -0.962 20.1-114.1-127.9 142.7 63.8 36.0 59.5 73 76 A G > - 0 0 6 -46,-3.0 3,-1.5 -2,-0.4 -48,-0.2 -0.167 43.1 -93.6 -63.8 161.2 67.5 37.1 59.2 74 77 A K T 3 S+ 0 0 91 1,-0.3 -48,-0.1 -51,-0.2 -49,-0.1 0.855 119.9 41.0 -44.3 -56.4 69.0 38.1 55.8 75 78 A N T 3 S+ 0 0 128 -50,-0.8 2,-0.6 2,-0.0 -1,-0.3 0.491 84.8 113.5 -79.4 -1.0 70.5 34.8 54.7 76 79 A V < + 0 0 17 -3,-1.5 -4,-0.1 -51,-0.8 -50,-0.1 -0.589 28.8 154.9 -75.1 117.5 67.6 32.6 55.8 77 80 A K + 0 0 97 -2,-0.6 -1,-0.2 3,-0.1 -2,-0.0 0.720 59.6 58.7-114.5 -29.0 65.9 31.2 52.8 78 81 A H S S+ 0 0 113 2,-0.0 2,-0.4 1,-0.0 -2,-0.1 0.704 103.0 52.3 -79.0 -20.0 64.2 27.9 53.8 79 82 A L - 0 0 5 4,-0.0 2,-0.3 55,-0.0 51,-0.0 -0.918 65.4-176.3-117.5 145.4 61.9 29.4 56.4 80 83 A K > - 0 0 146 -2,-0.4 3,-2.2 1,-0.1 -11,-0.2 -0.911 41.2 -66.2-135.4 162.7 59.5 32.3 56.0 81 84 A K T 3 S+ 0 0 166 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.119 119.0 25.9 -46.8 136.4 57.1 34.3 58.2 82 85 A G T 3 S+ 0 0 44 -13,-4.0 -1,-0.3 1,-0.3 2,-0.1 0.275 84.4 137.8 91.6 -14.1 54.2 32.3 59.4 83 86 A D < - 0 0 9 -3,-2.2 -14,-3.1 -14,-0.1 2,-0.5 -0.436 51.0-132.2 -68.3 140.0 56.0 28.9 59.2 84 87 A R E -G 68 0B 63 52,-0.4 52,-3.5 -16,-0.2 2,-0.3 -0.825 33.8-179.3 -95.2 128.5 55.3 26.6 62.2 85 88 A V E -GH 67 135B 0 -18,-3.0 -18,-2.3 -2,-0.5 2,-0.4 -0.937 32.5-137.9-134.4 156.1 58.4 25.1 63.7 86 89 A A E -GH 66 134B 0 48,-1.7 48,-2.1 -2,-0.3 2,-0.6 -0.835 33.6-130.5-102.2 141.0 59.7 22.7 66.3 87 90 A V E -GH 65 133B 0 -22,-2.9 -22,-0.6 -2,-0.4 46,-0.2 -0.861 7.9-153.6-101.9 116.8 62.9 24.1 68.0 88 91 A E - 0 0 4 44,-2.8 -24,-0.1 -2,-0.6 -22,-0.0 -0.813 17.7-153.9 -87.9 113.2 65.9 21.7 68.2 89 92 A P + 0 0 0 0, 0.0 24,-1.5 0, 0.0 2,-0.7 0.584 65.3 79.1 -65.3 -19.6 67.5 23.3 71.3 90 93 A G E -K 112 0D 3 22,-0.2 22,-0.2 -27,-0.1 20,-0.1 -0.851 54.4-175.3-101.1 117.9 71.2 22.4 70.9 91 94 A V E -K 111 0D 18 20,-2.2 20,-2.4 -2,-0.7 2,-0.0 -0.952 14.8-153.4-111.9 114.9 73.1 24.5 68.4 92 95 A P - 0 0 10 0, 0.0 18,-0.1 0, 0.0 13,-0.1 -0.192 27.5-108.0 -78.4 173.1 76.7 23.3 67.9 93 96 A C - 0 0 33 11,-0.2 17,-0.0 1,-0.1 11,-0.0 0.735 37.9-146.5 -76.8 -21.9 79.9 25.3 66.8 94 97 A R S S+ 0 0 96 1,-0.1 -1,-0.1 10,-0.1 10,-0.0 0.599 80.9 70.8 68.9 11.6 79.8 23.6 63.4 95 98 A R S S+ 0 0 190 5,-0.0 2,-0.1 0, 0.0 -1,-0.1 0.382 70.0 90.3-138.3 -2.2 83.6 23.7 63.2 96 99 A C S > S- 0 0 29 1,-0.1 4,-2.4 8,-0.0 5,-0.2 -0.412 89.2-100.5 -90.6 178.8 85.1 21.2 65.6 97 100 A Q H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 6,-0.2 0.847 122.0 56.9 -66.0 -30.9 85.9 17.5 64.8 98 101 A F H 4>S+ 0 0 95 2,-0.2 5,-3.3 1,-0.2 -1,-0.2 0.921 110.9 42.1 -67.8 -40.7 82.6 16.4 66.5 99 102 A C H >45S+ 0 0 22 3,-0.2 3,-1.4 1,-0.2 5,-0.3 0.901 114.6 50.6 -71.4 -39.2 80.5 18.6 64.3 100 103 A K H 3<5S+ 0 0 168 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.842 110.2 51.7 -68.0 -29.2 82.5 17.8 61.1 101 104 A E T 3<5S- 0 0 151 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.360 122.3-102.7 -87.7 6.8 82.1 14.1 61.8 102 105 A G T < 5S+ 0 0 39 -3,-1.4 -3,-0.2 1,-0.1 3,-0.2 0.733 93.6 109.5 81.9 19.1 78.3 14.2 62.3 103 106 A K > < + 0 0 42 -5,-3.3 3,-1.8 -6,-0.2 4,-0.2 -0.417 27.6 148.7-120.0 56.5 78.3 14.1 66.1 104 107 A Y G > + 0 0 25 1,-0.3 3,-2.2 -5,-0.3 -11,-0.2 0.814 62.1 70.5 -66.5 -22.7 77.2 17.6 66.8 105 108 A N G 3 S+ 0 0 16 1,-0.3 -1,-0.3 -3,-0.2 5,-0.1 0.703 101.3 49.7 -64.2 -14.3 75.4 16.6 70.1 106 109 A L G < S+ 0 0 85 -3,-1.8 -1,-0.3 -8,-0.1 -2,-0.2 0.364 78.7 134.6-103.6 4.4 78.9 16.1 71.5 107 110 A C X - 0 0 7 -3,-2.2 3,-1.2 -4,-0.2 -3,-0.0 -0.263 54.5-141.4 -51.7 131.9 80.2 19.4 70.3 108 111 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.780 100.7 46.9 -71.5 -21.3 82.2 20.9 73.2 109 112 A D T 3 S+ 0 0 111 2,-0.1 2,-0.1 0, 0.0 -2,-0.1 -0.079 81.2 146.4-105.7 30.5 80.9 24.5 72.5 110 113 A L < - 0 0 33 -3,-1.2 2,-0.7 -18,-0.1 -20,-0.1 -0.418 40.9-147.9 -64.2 138.4 77.3 23.3 72.1 111 114 A T E -K 91 0D 59 -20,-2.4 -20,-2.2 -2,-0.1 2,-0.5 -0.937 17.4-170.4-109.2 111.9 74.9 26.0 73.3 112 115 A F E > -K 90 0D 10 -2,-0.7 3,-1.7 3,-0.2 6,-0.3 -0.911 30.1-106.7-107.7 124.2 71.8 24.2 74.7 113 116 A C T 3 S+ 0 0 4 -24,-1.5 7,-0.3 -2,-0.5 6,-0.2 -0.201 103.1 6.7 -45.5 119.8 68.6 26.2 75.7 114 117 A A T 3 S+ 0 0 1 4,-2.1 -1,-0.2 1,-0.2 -52,-0.2 0.712 96.1 117.5 77.6 21.4 68.3 26.5 79.5 115 118 A T B X S-L 118 0E 12 -3,-1.7 3,-2.6 3,-0.8 -1,-0.2 -0.984 81.6 -76.1-116.2 108.2 71.7 24.9 80.3 116 119 A P T 3 S+ 0 0 10 0, 0.0 -4,-0.1 0, 0.0 -61,-0.1 -0.197 119.2 23.8 -46.7 139.2 73.6 27.6 82.0 117 120 A P T 3 S+ 0 0 117 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.959 109.8 80.7 -90.9 13.4 74.9 30.0 80.7 118 121 A D B < S-L 115 0E 56 -3,-2.6 -4,-2.1 -6,-0.3 -3,-0.8 -0.692 74.9-124.1 -92.1 125.0 72.5 29.8 77.7 119 122 A D - 0 0 66 -2,-0.5 -58,-0.2 -6,-0.2 -4,-0.1 -0.244 23.9-142.3 -60.5 141.3 68.9 31.2 77.9 120 123 A G - 0 0 3 -60,-2.4 -58,-0.2 -7,-0.3 -57,-0.2 -0.012 19.5-107.9 -91.1-164.5 66.0 29.0 77.1 121 124 A N S S+ 0 0 0 -59,-1.8 2,-1.9 -8,-0.1 -59,-0.2 0.092 70.1 121.3-122.1 27.0 62.8 29.7 75.3 122 125 A L + 0 0 0 -61,-2.5 -117,-2.7 -117,-0.2 -61,-0.3 -0.697 62.1 91.9 -88.3 81.4 60.0 29.7 77.9 123 126 A A B S-B 4 0A 4 -2,-1.9 -119,-0.2 -119,-0.3 -91,-0.1 -0.902 92.1-102.4-159.8 173.6 59.2 33.3 76.8 124 127 A R S S+ 0 0 30 -121,-1.4 -92,-1.9 -2,-0.3 2,-0.4 0.827 105.9 30.7 -78.2 -35.7 56.8 34.9 74.3 125 128 A Y E +D 31 0B 43 -94,-0.2 2,-0.3 -122,-0.2 -94,-0.2 -0.961 66.0 171.7-127.2 148.6 59.5 35.5 71.8 126 129 A Y E -D 30 0B 31 -96,-2.3 -96,-3.9 -2,-0.4 2,-0.4 -0.993 21.5-144.2-155.7 143.3 62.7 33.7 71.0 127 130 A V E +D 29 0B 24 -2,-0.3 2,-0.3 -98,-0.2 -98,-0.2 -0.895 28.3 168.8-108.9 139.9 65.4 33.9 68.4 128 131 A H E -D 28 0B 8 -100,-2.0 -100,-1.9 -2,-0.4 5,-0.1 -0.997 44.0 -83.7-152.3 151.1 67.1 30.6 67.1 129 132 A A E > -D 27 0B 6 -2,-0.3 3,-1.7 -102,-0.2 -102,-0.3 -0.317 40.4-134.5 -55.7 130.3 69.4 29.4 64.3 130 133 A A G > S+ 0 0 3 -104,-2.6 3,-1.5 1,-0.3 -1,-0.1 0.797 100.5 61.1 -60.3 -34.9 67.2 28.7 61.3 131 134 A D G 3 S+ 0 0 76 -105,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.574 102.5 54.6 -72.9 -5.9 68.8 25.4 60.4 132 135 A F G < S+ 0 0 11 -3,-1.7 -44,-2.8 2,-0.0 2,-0.5 0.061 88.3 87.5-112.6 25.2 67.6 24.1 63.8 133 136 A C E < -H 87 0B 4 -3,-1.5 2,-0.7 -46,-0.2 -46,-0.2 -0.981 69.3-151.1-122.3 116.2 64.0 25.0 63.4 134 137 A H E -H 86 0B 33 -48,-2.1 -48,-1.7 -2,-0.5 -3,-0.1 -0.780 15.4-126.5 -96.9 115.8 62.1 22.2 61.7 135 138 A K E -H 85 0B 109 -2,-0.7 -50,-0.3 -50,-0.2 -52,-0.0 -0.293 24.6-135.9 -58.9 137.8 59.1 23.3 59.6 136 139 A L - 0 0 6 -52,-3.5 -52,-0.4 4,-0.1 2,-0.1 -0.746 10.1-125.7-100.7 146.5 55.9 21.5 60.6 137 140 A P > - 0 0 46 0, 0.0 3,-1.9 0, 0.0 -1,-0.0 -0.389 36.2 -98.4 -79.3 164.5 53.4 20.1 58.1 138 141 A D T 3 S+ 0 0 102 1,-0.3 -2,-0.0 -2,-0.1 168,-0.0 0.815 121.3 54.9 -57.6 -34.6 49.7 21.1 58.3 139 142 A N T 3 S+ 0 0 106 1,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.357 92.5 80.6 -86.4 10.0 48.7 17.9 60.2 140 143 A V S < S- 0 0 0 -3,-1.9 -1,-0.1 4,-0.0 166,-0.1 -0.945 74.0-144.6-116.8 114.7 51.3 18.4 63.0 141 144 A S > - 0 0 40 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.281 23.5-112.3 -72.2 159.9 50.2 20.9 65.7 142 145 A L H > S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 -108,-0.2 0.853 119.6 56.7 -61.0 -33.5 52.5 23.2 67.5 143 146 A E H > S+ 0 0 49 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.933 106.5 48.3 -64.3 -46.2 51.9 21.2 70.6 144 147 A E H 4 S+ 0 0 20 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.899 106.9 57.6 -58.5 -40.7 53.1 18.0 68.9 145 148 A G H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 4,-0.4 0.870 102.3 54.4 -58.7 -35.7 56.2 19.9 67.6 146 149 A A H >< S+ 0 0 0 -4,-1.6 3,-0.8 -3,-0.3 -1,-0.3 0.821 104.5 55.2 -68.1 -28.9 57.1 20.7 71.3 147 150 A L T 3X S+ 0 0 2 -4,-1.2 4,-2.0 -3,-0.5 -1,-0.3 0.531 85.8 82.1 -81.3 -2.7 56.9 17.0 72.0 148 151 A L H <> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.4 -1,-0.2 0.783 82.1 65.6 -71.7 -24.0 59.5 16.3 69.2 149 152 A E H <> S+ 0 0 12 -3,-0.8 4,-0.9 -4,-0.4 -1,-0.2 0.959 109.9 33.1 -64.3 -53.1 62.3 17.2 71.6 150 153 A P H > S+ 0 0 3 0, 0.0 4,-1.3 0, 0.0 3,-0.2 0.865 116.4 56.0 -74.9 -30.5 61.6 14.2 74.0 151 154 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.3 0.918 103.3 57.2 -62.1 -36.8 60.5 11.9 71.1 152 155 A S H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.3 -1,-0.2 0.825 99.5 58.5 -62.3 -31.1 63.9 12.6 69.4 153 156 A V H X S+ 0 0 17 -4,-0.9 4,-2.1 -3,-0.2 -1,-0.3 0.889 108.7 45.7 -65.3 -36.6 65.6 11.3 72.6 154 157 A G H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.878 112.3 49.6 -72.7 -36.1 63.8 8.1 72.0 155 158 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.945 110.7 51.1 -65.2 -44.5 64.6 8.1 68.3 156 159 A H H X S+ 0 0 17 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.920 110.0 48.6 -59.4 -45.6 68.3 8.7 69.2 157 160 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.918 112.9 48.6 -63.4 -39.9 68.3 5.8 71.7 158 161 A C H X>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 4,-0.8 0.944 113.2 46.4 -65.5 -44.8 66.7 3.5 69.1 159 162 A R H ><5S+ 0 0 114 -4,-3.1 3,-0.8 1,-0.2 -2,-0.2 0.901 110.2 51.9 -66.8 -39.3 69.1 4.4 66.3 160 163 A R H 3<5S+ 0 0 109 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.876 114.8 43.8 -65.8 -30.4 72.1 4.1 68.5 161 164 A A H 3<5S- 0 0 17 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.548 112.0-121.7 -87.1 -7.0 70.9 0.6 69.5 162 165 A G T <<5 - 0 0 34 -3,-0.8 -3,-0.2 -4,-0.8 -4,-0.1 0.843 38.3-171.7 72.5 31.8 70.0 -0.3 65.9 163 166 A V < + 0 0 7 -5,-2.8 2,-0.2 -6,-0.2 -1,-0.2 -0.349 24.5 132.9 -60.2 131.3 66.3 -1.0 66.8 164 167 A Q > - 0 0 125 25,-0.1 3,-2.5 -2,-0.1 25,-0.1 -0.908 59.8 -36.5-160.9-174.5 64.6 -2.5 63.7 165 168 A L T 3 S+ 0 0 148 1,-0.3 25,-0.2 -2,-0.2 3,-0.1 -0.373 128.5 26.0 -55.8 131.0 62.3 -5.3 62.5 166 169 A G T 3 S+ 0 0 70 23,-0.7 2,-0.3 1,-0.4 -1,-0.3 0.294 92.9 124.6 96.8 -9.5 63.2 -8.4 64.5 167 170 A T < - 0 0 5 -3,-2.5 24,-2.6 22,-0.1 2,-0.6 -0.661 49.1-152.7 -84.7 142.2 64.4 -6.5 67.5 168 171 A T E -m 191 0F 24 -2,-0.3 72,-1.7 22,-0.2 71,-1.1 -0.969 17.5-164.1-111.6 124.1 62.9 -7.2 70.9 169 172 A V E -mn 192 240F 0 22,-3.3 24,-3.0 -2,-0.6 2,-0.6 -0.911 13.6-161.7-116.5 133.8 63.1 -4.2 73.1 170 173 A L E -mn 193 241F 2 70,-2.5 72,-3.1 -2,-0.4 2,-0.7 -0.943 8.4-163.7-110.9 118.0 62.7 -3.9 76.8 171 174 A V E -mn 194 242F 0 22,-3.1 24,-2.5 -2,-0.6 2,-0.7 -0.906 6.9-153.4-104.2 118.6 62.0 -0.5 78.1 172 175 A I E +mn 195 243F 9 70,-2.4 72,-1.9 -2,-0.7 24,-0.2 -0.821 65.2 22.3 -92.2 115.5 62.5 -0.2 81.9 173 176 A G - 0 0 18 22,-3.8 22,-0.2 -2,-0.7 23,-0.1 -0.003 59.7-139.6 107.6 145.8 60.3 2.6 83.2 174 177 A A + 0 0 3 4,-0.1 31,-0.1 20,-0.1 -1,-0.1 0.013 61.0 115.9-129.5 26.2 57.1 4.3 82.0 175 178 A G S > S- 0 0 25 69,-0.1 4,-2.6 1,-0.0 5,-0.2 -0.169 92.6 -71.3 -75.3-172.3 57.7 7.9 82.8 176 179 A P H > S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.873 135.2 49.0 -53.4 -41.7 58.0 10.3 79.7 177 180 A I H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.917 112.0 49.3 -67.1 -39.7 61.3 9.0 78.5 178 181 A G H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 111.0 51.3 -63.7 -41.3 60.2 5.4 78.7 179 182 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.916 108.9 48.0 -66.1 -43.0 57.0 6.3 76.8 180 183 A V H X S+ 0 0 1 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.908 109.4 55.5 -66.5 -32.6 58.8 8.0 73.9 181 184 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.873 107.8 49.3 -62.6 -35.0 61.2 5.0 73.8 182 185 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.957 113.5 45.8 -67.2 -48.6 58.1 2.8 73.4 183 186 A L H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.937 116.7 43.7 -57.6 -50.4 56.7 5.0 70.7 184 187 A A H X S+ 0 0 0 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.940 114.5 49.8 -63.8 -45.0 60.1 5.2 68.8 185 188 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.3 -1,-0.2 0.894 113.4 45.4 -63.3 -39.5 60.8 1.5 69.2 186 189 A K H ><5S+ 0 0 64 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.918 110.0 54.8 -70.6 -40.9 57.4 0.5 67.9 187 190 A A H 3<5S+ 0 0 25 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.848 105.2 55.2 -61.2 -27.0 57.7 3.0 65.1 188 191 A Y T 3<5S- 0 0 64 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.434 124.4-103.0 -85.5 3.6 61.0 1.2 64.2 189 192 A G T < 5S+ 0 0 30 -3,-2.1 -23,-0.7 1,-0.2 -3,-0.2 0.549 72.1 144.1 93.9 7.1 59.3 -2.1 63.9 190 193 A A < - 0 0 1 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.322 54.5-120.6 -80.7 165.3 60.4 -3.6 67.2 191 194 A F E -m 168 0F 80 -24,-2.6 -22,-3.3 -2,-0.1 2,-0.4 -0.903 41.1-154.4 -98.0 128.6 58.5 -5.9 69.6 192 195 A V E -m 169 0F 0 -2,-0.5 19,-1.9 17,-0.3 20,-1.6 -0.920 23.0-173.2-119.9 135.7 58.3 -4.0 72.9 193 196 A V E -mo 170 212F 1 -24,-3.0 -22,-3.1 -2,-0.4 2,-0.5 -0.968 15.1-161.0-117.7 134.0 58.0 -5.0 76.5 194 197 A C E -mo 171 213F 0 18,-2.6 20,-1.8 -2,-0.4 2,-0.4 -0.980 5.2-169.3-125.1 129.7 57.6 -2.2 79.0 195 198 A T E +mo 172 214F 9 -24,-2.5 -22,-3.8 -2,-0.5 2,-0.3 -0.929 19.3 143.8-117.5 136.5 58.2 -2.5 82.8 196 199 A A E - o 0 215F 8 18,-2.0 20,-2.8 -2,-0.4 -2,-0.0 -0.992 51.9-117.3-165.1 167.6 57.3 -0.0 85.5 197 200 A R S S+ 0 0 164 -2,-0.3 -1,-0.1 18,-0.2 20,-0.1 0.902 92.7 70.8 -77.5 -42.7 56.1 0.6 89.0 198 201 A S > - 0 0 5 1,-0.2 4,-1.5 18,-0.1 5,-0.2 -0.674 61.0-159.8 -86.2 120.1 52.8 2.4 88.2 199 202 A P H > S+ 0 0 87 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.816 92.4 62.1 -64.7 -27.4 50.0 0.4 86.7 200 203 A R H >> S+ 0 0 53 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.953 105.6 40.1 -68.4 -47.1 48.5 3.6 85.5 201 204 A R H 3> S+ 0 0 36 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.788 106.3 63.9 -74.9 -18.2 51.4 4.6 83.2 202 205 A L H 3X S+ 0 0 7 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.834 98.6 58.8 -68.0 -24.4 51.8 1.1 82.0 203 206 A E H S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.3 4,-0.4 0.903 107.0 48.6 -52.2 -42.2 52.6 2.4 77.6 206 209 A K H ><5S+ 0 0 64 -4,-2.3 3,-1.6 1,-0.2 -1,-0.3 0.921 109.8 49.1 -66.6 -43.0 50.1 -0.1 76.2 207 210 A N H 3<5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.818 105.0 61.0 -66.3 -24.8 48.3 2.6 74.3 208 211 A C T 3<5S- 0 0 10 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.615 131.2 -97.0 -72.6 -13.3 51.7 3.7 73.1 209 212 A G T < 5 + 0 0 27 -3,-1.6 -17,-0.3 -4,-0.4 -3,-0.2 0.457 65.0 161.2 114.2 -0.3 51.9 0.2 71.5 210 213 A A < - 0 0 7 -5,-2.5 -1,-0.3 -6,-0.2 -17,-0.2 -0.308 30.9-150.6 -52.6 134.1 53.9 -1.8 74.0 211 214 A D S S+ 0 0 75 -19,-1.9 2,-0.4 1,-0.3 -18,-0.2 0.795 80.2 19.1 -79.7 -30.2 53.2 -5.5 73.2 212 215 A V E -o 193 0F 31 -20,-1.6 -18,-2.6 2,-0.0 2,-0.3 -0.997 68.1-169.9-140.6 139.6 53.6 -6.6 76.8 213 216 A T E -o 194 0F 53 -2,-0.4 2,-0.4 -20,-0.2 -18,-0.2 -0.959 4.3-172.2-127.3 148.9 53.5 -4.6 80.1 214 217 A L E -o 195 0F 27 -20,-1.8 -18,-2.0 -2,-0.3 2,-0.6 -0.993 26.2-128.1-144.6 134.3 54.5 -5.7 83.6 215 218 A V E +o 196 0F 71 -2,-0.4 2,-0.4 -20,-0.2 -18,-0.2 -0.719 43.5 167.9 -79.6 122.1 54.2 -4.1 87.0 216 219 A V + 0 0 6 -20,-2.8 -2,-0.1 -2,-0.6 -18,-0.1 -0.994 21.1 172.7-142.0 131.7 57.7 -4.3 88.4 217 220 A D >> - 0 0 33 -2,-0.4 3,-2.5 5,-0.1 4,-2.4 -0.812 12.6-167.4-142.0 98.2 59.3 -2.6 91.4 218 221 A P T 34 S+ 0 0 22 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.497 87.4 70.2 -64.2 -4.1 62.8 -3.8 92.3 219 222 A A T 34 S+ 0 0 82 3,-0.1 3,-0.1 1,-0.0 -3,-0.0 0.699 116.1 23.2 -83.8 -17.3 62.5 -2.1 95.6 220 223 A K T <4 S+ 0 0 179 -3,-2.5 2,-0.3 1,-0.1 -1,-0.0 0.777 118.9 53.9-111.9 -49.1 60.0 -4.8 96.5 221 224 A E S < S- 0 0 53 -4,-2.4 -1,-0.1 1,-0.1 2,-0.0 -0.673 86.8-107.1 -95.8 146.9 60.6 -7.9 94.4 222 225 A E > - 0 0 145 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.367 26.1-120.0 -67.5 154.0 64.0 -9.7 94.1 223 226 A E H > S+ 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.912 108.9 61.5 -60.7 -45.1 65.9 -9.2 90.8 224 227 A S H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.870 108.8 39.3 -53.0 -44.4 65.8 -13.0 90.1 225 228 A S H > S+ 0 0 48 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.813 111.3 58.1 -80.2 -25.9 62.0 -13.2 90.0 226 229 A I H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.962 108.5 48.5 -63.3 -44.9 61.7 -9.9 88.1 227 230 A I H X S+ 0 0 22 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.961 111.2 46.8 -58.8 -53.8 63.9 -11.4 85.5 228 231 A E H X S+ 0 0 102 -4,-1.9 4,-2.9 1,-0.3 -1,-0.2 0.883 108.8 55.9 -57.8 -38.4 62.0 -14.7 85.2 229 232 A R H X S+ 0 0 78 -4,-2.4 4,-1.0 1,-0.2 -1,-0.3 0.931 112.9 42.5 -58.4 -43.3 58.7 -12.9 85.0 230 233 A I H X S+ 0 0 2 -4,-2.1 4,-0.5 -3,-0.2 3,-0.4 0.912 113.4 51.1 -70.1 -42.6 60.1 -10.9 82.1 231 234 A R H >< S+ 0 0 100 -4,-3.2 3,-1.0 1,-0.2 -2,-0.2 0.910 110.8 49.5 -63.2 -37.6 61.7 -13.9 80.4 232 235 A S H 3< S+ 0 0 84 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.734 102.1 62.9 -74.0 -21.1 58.4 -15.8 80.7 233 236 A A H 3< S+ 0 0 32 -4,-1.0 2,-0.2 -3,-0.4 -1,-0.2 0.575 112.9 23.8 -80.1 -8.7 56.4 -13.0 79.2 234 237 A I S << S- 0 0 25 -3,-1.0 3,-0.1 -4,-0.5 -41,-0.0 -0.804 82.0-102.1-142.9-176.9 58.2 -13.1 75.9 235 238 A G S S+ 0 0 68 -2,-0.2 -1,-0.3 1,-0.1 2,-0.0 0.827 90.1 0.6 -76.3-103.6 60.2 -15.4 73.6 236 239 A D S S- 0 0 95 1,-0.2 -1,-0.1 -4,-0.0 3,-0.1 -0.249 96.4 -78.1 -78.7 173.0 64.0 -14.8 73.7 237 240 A L - 0 0 20 1,-0.1 -1,-0.2 -3,-0.1 -69,-0.1 -0.367 59.6 -91.6 -68.8 153.0 65.6 -12.2 75.9 238 241 A P - 0 0 2 0, 0.0 21,-2.7 0, 0.0 -69,-0.2 -0.444 27.9-152.5 -64.4 134.1 65.3 -8.6 74.5 239 242 A N S S+ 0 0 39 -71,-1.1 24,-2.7 1,-0.2 2,-0.4 0.631 85.2 42.5 -87.5 -7.6 68.3 -7.8 72.4 240 243 A V E -np 169 263F 3 -72,-1.7 -70,-2.5 22,-0.2 2,-0.5 -0.985 67.6-174.7-136.7 121.1 68.0 -4.1 73.3 241 244 A T E -np 170 264F 0 22,-2.9 24,-3.2 -2,-0.4 2,-0.6 -0.963 8.4-159.7-114.3 134.3 67.2 -2.9 76.7 242 245 A I E -np 171 265F 0 -72,-3.1 -70,-2.4 -2,-0.5 2,-0.6 -0.925 5.7-157.7-116.6 106.4 66.5 0.8 77.3 243 246 A D E +np 172 266F 1 22,-2.5 24,-2.3 -2,-0.6 25,-1.4 -0.758 18.9 170.1 -85.0 121.7 67.0 1.9 80.9 244 247 A C + 0 0 23 -72,-1.9 -66,-0.2 -2,-0.6 -67,-0.2 0.239 66.3 66.7-112.6 13.3 65.1 5.0 81.6 245 248 A S S S- 0 0 50 2,-0.1 3,-0.1 -73,-0.1 -1,-0.1 0.704 76.9-146.9-107.9 -24.9 65.5 5.0 85.3 246 249 A G + 0 0 5 1,-0.3 25,-0.5 24,-0.1 2,-0.3 0.363 54.2 138.3 73.9 -11.4 69.2 5.5 86.1 247 250 A N > - 0 0 66 23,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.503 57.1-137.3 -72.3 131.1 68.5 3.2 89.1 248 251 A E H > S+ 0 0 70 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.779 102.5 53.9 -60.6 -29.6 71.3 0.7 89.8 249 252 A K H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.919 111.3 46.9 -72.2 -37.6 68.9 -2.2 90.5 250 253 A C H > S+ 0 0 14 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.864 112.9 49.1 -68.1 -36.0 67.2 -1.5 87.2 251 254 A I H X S+ 0 0 17 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.881 109.6 51.9 -71.9 -33.1 70.6 -1.3 85.4 252 255 A T H X S+ 0 0 32 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.917 111.6 46.8 -68.2 -41.1 71.6 -4.6 87.1 253 256 A I H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.938 109.5 54.6 -63.8 -45.7 68.4 -6.2 85.8 254 257 A G H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.3 -2,-0.2 0.913 110.1 46.7 -53.4 -47.2 69.1 -4.7 82.3 255 258 A I H < S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.857 116.5 44.0 -62.8 -38.3 72.5 -6.3 82.2 256 259 A N H < S+ 0 0 38 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.773 117.2 42.6 -84.8 -21.4 71.2 -9.6 83.4 257 260 A I H < S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.666 89.0 105.2 -96.6 -17.0 68.1 -9.8 81.2 258 261 A T S < S- 0 0 0 -4,-1.6 -19,-0.2 -5,-0.3 3,-0.1 -0.393 77.8-107.3 -68.4 137.7 69.6 -8.6 78.0 259 262 A R > - 0 0 66 -21,-2.7 3,-2.7 1,-0.1 -1,-0.1 -0.303 44.3 -87.2 -62.3 145.8 70.4 -11.1 75.3 260 263 A T T 3 S+ 0 0 87 1,-0.3 25,-0.2 26,-0.1 -1,-0.1 -0.208 118.0 16.2 -51.3 135.6 74.0 -12.1 74.6 261 264 A G T 3 S+ 0 0 49 23,-2.5 -1,-0.3 1,-0.2 25,-0.1 0.479 106.4 118.0 76.3 1.7 75.5 -9.7 72.1 262 265 A G < - 0 0 5 -3,-2.7 25,-2.1 22,-0.2 2,-0.3 -0.065 59.3-110.7 -88.0-166.3 72.7 -7.3 72.7 263 266 A T E -pq 240 287F 16 -24,-2.7 -22,-2.9 23,-0.2 2,-0.6 -0.966 8.3-152.2-137.5 146.2 72.8 -3.8 74.1 264 267 A L E -pq 241 288F 0 23,-2.7 25,-2.5 -2,-0.3 2,-0.5 -0.978 19.9-155.9-114.6 117.5 71.8 -1.8 77.1 265 268 A M E -pq 242 289F 0 -24,-3.2 -22,-2.5 -2,-0.6 2,-0.7 -0.845 5.6-147.6 -96.4 127.3 71.0 1.9 76.3 266 269 A L E +pq 243 290F 53 23,-3.0 25,-1.7 -2,-0.5 -22,-0.1 -0.870 41.6 140.7 -97.3 114.1 71.5 4.3 79.2 267 270 A V + 0 0 25 -24,-2.3 -23,-0.2 -2,-0.7 -1,-0.2 0.496 51.7 80.7-126.8 -15.3 69.0 7.1 78.9 268 271 A G S S- 0 0 32 -25,-1.4 -24,-0.1 -21,-0.1 -91,-0.1 0.896 84.0-131.4 -61.2 -51.8 67.9 7.6 82.5 269 272 A M - 0 0 66 -22,-0.0 -22,-0.0 3,-0.0 -25,-0.0 0.833 28.4-137.3 88.8 87.9 70.7 9.7 84.1 270 273 A G - 0 0 48 2,-0.1 -23,-0.2 -23,-0.1 -24,-0.1 0.289 19.6 -95.6 -62.8-168.9 71.7 8.0 87.3 271 274 A S S S- 0 0 108 -25,-0.5 3,-0.1 2,-0.2 -24,-0.1 0.971 73.3 -75.7 -73.8 -77.4 72.4 9.3 90.8 272 275 A Q S S+ 0 0 72 1,-0.6 2,-0.3 0, 0.0 -2,-0.1 0.296 108.2 16.8-150.8 -55.6 76.2 9.6 90.7 273 276 A M - 0 0 168 2,-0.0 -1,-0.6 0, 0.0 2,-0.4 -0.900 62.4-163.4-126.6 152.9 77.6 6.1 91.1 274 277 A V - 0 0 54 -2,-0.3 2,-0.8 -3,-0.1 -27,-0.0 -0.985 19.3-133.9-137.3 146.3 75.9 2.7 90.7 275 278 A T + 0 0 116 -2,-0.4 -23,-0.1 2,-0.0 -2,-0.0 -0.914 44.4 163.6-100.5 111.8 77.0 -0.7 91.9 276 279 A V - 0 0 41 -2,-0.8 2,-1.3 -25,-0.1 3,-0.3 -0.912 48.9-112.5-133.8 159.9 76.5 -3.0 88.9 277 280 A P >> + 0 0 26 0, 0.0 3,-1.4 0, 0.0 4,-0.9 -0.402 44.7 157.3 -87.6 60.1 77.5 -6.4 87.6 278 281 A L H >> S+ 0 0 102 -2,-1.3 4,-2.2 1,-0.3 3,-0.7 0.824 70.4 66.9 -51.9 -34.0 79.7 -5.3 84.6 279 282 A V H 3> S+ 0 0 108 -3,-0.3 4,-2.3 1,-0.3 -1,-0.3 0.903 97.8 52.8 -53.6 -42.2 81.5 -8.7 84.8 280 283 A N H <4 S+ 0 0 66 -3,-1.4 4,-0.3 1,-0.2 -1,-0.3 0.779 107.6 52.5 -62.3 -32.2 78.1 -10.3 83.7 281 284 A A H X<>S+ 0 0 5 -4,-0.9 5,-2.6 -3,-0.7 3,-1.2 0.928 108.8 48.4 -70.7 -46.3 78.0 -8.0 80.7 282 285 A C H ><5S+ 0 0 103 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.923 101.9 62.8 -60.5 -46.0 81.5 -8.9 79.6 283 286 A A T 3<5S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.641 119.1 27.5 -55.9 -16.2 80.9 -12.6 79.9 284 287 A R T < 5S- 0 0 69 -3,-1.2 -23,-2.5 -4,-0.3 -1,-0.3 0.094 110.1-113.4-133.8 21.7 78.2 -12.3 77.2 285 288 A E T < 5 + 0 0 150 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.889 50.8 170.0 44.0 50.7 79.4 -9.2 75.2 286 289 A I < - 0 0 10 -5,-2.6 2,-0.3 -25,-0.1 -23,-0.2 -0.782 24.9-143.6 -84.6 131.6 76.6 -7.0 76.2 287 290 A D E -q 263 0F 83 -25,-2.1 -23,-2.7 -2,-0.5 2,-0.6 -0.765 4.2-149.5 -95.4 145.7 77.4 -3.5 75.2 288 291 A I E -q 264 0F 67 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.958 20.8-176.3-116.0 112.5 76.4 -0.5 77.3 289 292 A K E -q 265 0F 64 -25,-2.5 -23,-3.0 -2,-0.6 2,-0.2 -0.910 16.3-141.2-116.9 139.0 75.7 2.6 75.3 290 293 A S E -q 266 0F 77 -2,-0.4 2,-0.5 -25,-0.2 -23,-0.2 -0.598 7.6-150.5 -92.2 154.7 74.9 6.1 76.4 291 294 A V - 0 0 16 -25,-1.7 2,-0.6 -2,-0.2 -134,-0.1 -0.994 8.7-169.4-125.7 122.7 72.4 8.3 74.7 292 295 A F - 0 0 99 -2,-0.5 2,-0.3 -136,-0.1 -25,-0.1 -0.841 53.9 -71.1-119.9 97.8 72.9 12.0 74.9 293 296 A R S S- 0 0 52 -2,-0.6 2,-0.3 -26,-0.1 -137,-0.2 -0.436 85.1 -55.4 62.3-118.2 70.0 14.0 73.6 294 297 A Y - 0 0 4 -2,-0.3 2,-0.3 -138,-0.1 -141,-0.1 -0.982 32.3-158.7-158.2 163.5 69.8 13.7 69.9 295 298 A C S S- 0 0 14 -2,-0.3 -2,-0.0 -143,-0.2 -3,-0.0 -0.902 85.7 -22.0-152.1 108.6 71.7 14.1 66.6 296 299 A N S S+ 0 0 88 -2,-0.3 4,-0.2 1,-0.1 -193,-0.0 0.804 104.4 116.6 56.9 27.8 69.9 14.5 63.3 297 300 A D >> + 0 0 1 2,-0.1 4,-2.5 1,-0.1 3,-1.2 0.763 47.2 80.0 -95.9 -30.7 67.0 12.7 65.0 298 301 A Y H 3> S+ 0 0 1 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.869 89.2 53.8 -43.3 -49.2 64.4 15.5 64.8 299 302 A P H 3> S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.850 110.6 47.5 -60.3 -32.1 63.4 14.9 61.2 300 303 A I H <> S+ 0 0 56 -3,-1.2 4,-2.6 -4,-0.2 -2,-0.2 0.913 110.8 50.9 -72.8 -43.0 62.7 11.3 61.9 301 304 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.952 111.2 49.2 -59.4 -44.2 60.7 12.2 65.0 302 305 A L H X S+ 0 0 25 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.927 109.8 50.8 -61.4 -43.9 58.7 14.6 62.9 303 306 A E H X S+ 0 0 112 -4,-2.1 4,-2.1 1,-0.2 6,-0.3 0.862 107.2 54.9 -63.9 -34.3 58.1 12.0 60.2 304 307 A M H <>S+ 0 0 9 -4,-2.6 5,-1.8 2,-0.2 6,-1.3 0.932 115.4 38.2 -63.6 -43.1 56.9 9.5 62.9 305 308 A V H ><5S+ 0 0 9 -4,-2.1 3,-1.1 4,-0.2 -2,-0.2 0.943 116.4 51.3 -72.3 -43.8 54.3 12.0 64.1 306 309 A A H 3<5S+ 0 0 17 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.836 110.9 47.3 -62.8 -36.0 53.4 13.4 60.6 307 310 A S T 3<5S- 0 0 53 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.501 117.9-111.1 -85.0 -4.0 52.7 9.9 59.2 308 311 A G T < 5S+ 0 0 64 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.607 83.4 121.0 87.3 11.3 50.6 8.9 62.2 309 312 A R S + 0 0 0 -2,-0.9 3,-2.0 1,-0.1 4,-0.3 0.659 59.7 77.6-100.0 -17.7 52.7 11.9 71.3 313 316 A K G > S+ 0 0 120 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.847 81.4 68.0 -59.3 -33.7 49.8 14.3 72.2 314 317 A Q G 3 S+ 0 0 47 1,-0.3 -1,-0.3 -110,-0.0 -2,-0.1 0.568 87.8 72.4 -63.1 -5.3 48.5 11.6 74.6 315 318 A L G < S+ 0 0 5 -3,-2.0 26,-2.1 25,-0.1 2,-0.8 0.694 71.4 92.8 -83.6 -21.9 51.6 12.4 76.6 316 319 A V E < +i 341 0B 27 -3,-2.0 26,-0.2 -4,-0.3 3,-0.1 -0.644 41.5 163.5 -75.7 110.9 50.5 15.8 77.8 317 320 A T E + 0 0 55 24,-2.0 2,-0.4 -2,-0.8 -1,-0.2 0.788 67.3 32.6 -94.1 -33.2 48.7 15.2 81.2 318 321 A H E -i 342 0B 41 23,-1.4 25,-2.6 2,-0.0 2,-0.4 -0.965 62.6-168.2-127.9 142.6 48.8 18.8 82.4 319 322 A S E +i 343 0B 86 -2,-0.4 2,-0.3 23,-0.2 25,-0.2 -0.988 11.7 172.1-129.6 136.5 48.6 22.1 80.5 320 323 A F E -i 344 0B 47 23,-2.5 25,-2.7 -2,-0.4 2,-0.2 -0.947 30.1-117.9-138.8 157.3 49.3 25.6 81.9 321 324 A K E > -i 345 0B 53 -2,-0.3 3,-1.2 23,-0.2 7,-0.2 -0.469 39.6-101.1 -88.3 166.3 49.6 29.1 80.5 322 325 A L G > S+ 0 0 0 23,-1.3 3,-2.0 1,-0.3 4,-0.2 0.891 122.2 62.5 -57.7 -38.3 52.9 30.9 80.8 323 326 A E G 3 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.819 103.1 50.8 -58.4 -27.8 51.5 33.0 83.7 324 327 A Q G X> S+ 0 0 98 -3,-1.2 4,-2.4 1,-0.2 3,-0.5 0.131 70.9 125.4 -98.2 23.4 51.2 29.7 85.7 325 328 A T H <> S+ 0 0 0 -3,-2.0 4,-3.1 1,-0.3 5,-0.2 0.861 71.3 53.2 -47.8 -46.7 54.7 28.5 85.1 326 329 A V H 3> S+ 0 0 66 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.908 109.7 48.4 -61.0 -38.4 55.5 28.0 88.8 327 330 A D H <> S+ 0 0 43 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.916 109.8 54.3 -65.3 -39.5 52.4 25.9 89.2 328 331 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.966 109.1 46.6 -59.5 -51.6 53.6 23.9 86.1 329 332 A F H X S+ 0 0 0 -4,-3.1 4,-3.5 1,-0.2 -1,-0.2 0.880 110.4 53.7 -59.2 -36.7 57.0 23.3 87.7 330 333 A E H X S+ 0 0 78 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.964 107.9 49.2 -63.5 -46.4 55.3 22.2 90.9 331 334 A A H X S+ 0 0 20 -4,-2.8 4,-1.2 1,-0.2 5,-0.4 0.902 115.8 45.4 -57.3 -38.4 53.1 19.7 89.0 332 335 A A H < S+ 0 0 15 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.894 110.7 52.6 -72.7 -38.8 56.3 18.5 87.4 333 336 A R H < S+ 0 0 97 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.917 106.8 52.7 -63.4 -42.0 58.3 18.4 90.6 334 337 A K H < S- 0 0 61 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.824 86.2-159.9 -63.2 -35.7 55.6 16.3 92.4 335 338 A K < - 0 0 81 -4,-1.2 -3,-0.1 -5,-0.2 -4,-0.1 0.925 13.9-170.0 53.2 57.4 55.6 13.6 89.7 336 339 A A > - 0 0 42 -5,-0.4 3,-2.7 1,-0.1 -1,-0.1 -0.336 37.0-106.1 -74.4 157.6 52.2 12.0 90.5 337 340 A D T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.787 124.0 51.7 -52.8 -30.8 51.1 8.7 88.9 338 341 A N T 3 S+ 0 0 102 2,-0.0 2,-0.6 -138,-0.0 -1,-0.3 0.441 93.8 94.3 -86.0 -0.9 48.7 10.7 86.7 339 342 A T < + 0 0 13 -3,-2.7 3,-0.1 1,-0.1 -23,-0.1 -0.813 34.1 142.2 -99.1 122.9 51.5 13.0 85.6 340 343 A I S S+ 0 0 19 -2,-0.6 2,-0.5 1,-0.3 -24,-0.2 0.537 70.3 3.1-116.0 -84.2 53.4 12.4 82.4 341 344 A K E - i 0 316B 6 -26,-2.1 -24,-2.0 -166,-0.1 -23,-1.4 -0.916 61.1-151.5-114.6 129.6 54.3 15.5 80.5 342 345 A V E -Fi 37 318B 2 -305,-0.6 -305,-1.8 -2,-0.5 2,-0.4 -0.869 17.8-164.8 -98.5 125.2 53.6 19.0 81.7 343 346 A M E -Fi 36 319B 2 -25,-2.6 -23,-2.5 -2,-0.5 2,-0.5 -0.919 10.4-158.6-118.6 135.8 53.1 21.6 78.9 344 347 A I E -Fi 35 320B 0 -309,-2.5 -309,-2.0 -2,-0.4 2,-0.4 -0.954 11.4-148.7-114.8 121.0 53.1 25.4 79.0 345 348 A S E -Fi 34 321B 34 -25,-2.7 -23,-1.3 -2,-0.5 -311,-0.3 -0.732 9.9-170.5 -92.7 139.8 51.4 27.4 76.2 346 349 A C + 0 0 2 -313,-3.0 2,-0.4 -2,-0.4 -312,-0.1 0.545 43.8 110.2-107.7 -12.6 52.8 30.8 75.3 347 350 A R 0 0 120 -314,-0.6 -25,-0.1 -316,-0.1 -314,-0.1 -0.552 360.0 360.0 -73.7 128.6 50.5 32.6 73.0 348 351 A Q 0 0 121 -2,-0.4 -2,-0.1 -347,-0.1 -1,-0.1 -0.315 360.0 360.0 -62.3 360.0 48.9 35.6 74.7