==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-13 4KG7 . COMPND 2 MOLECULE: PEPTIDASE S8 AND S53, SUBTILISIN, KEXIN, SEDOLISI . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR K.V.KOROTKOV,T.J.EVANS . 369 2 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 1 2 0 0 0 2 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 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 PARALLEL BRIDGES PER LADDER . 8 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 26 A V 0 0 78 0, 0.0 238,-0.2 0, 0.0 183,-0.0 0.000 360.0 360.0 360.0 119.3 31.8 16.2 25.2 2 27 A S - 0 0 80 235,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.910 360.0 -70.9-138.6 159.8 31.0 13.7 22.5 3 28 A P - 0 0 69 0, 0.0 245,-0.1 0, 0.0 244,-0.0 -0.285 61.8-107.3 -55.6 137.7 29.8 13.8 18.9 4 29 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 186,-0.0 -0.279 33.9-162.8 -70.3 153.3 26.1 15.0 18.8 5 30 A Q - 0 0 173 -3,-0.1 188,-0.1 243,-0.0 243,-0.0 -0.999 21.3-112.6-136.6 135.8 23.4 12.6 18.0 6 31 A V - 0 0 32 -2,-0.4 184,-0.1 187,-0.1 185,-0.1 -0.306 23.3-127.8 -63.3 148.8 19.8 13.2 16.9 7 32 A D > - 0 0 68 183,-0.2 3,-2.3 1,-0.1 -1,-0.1 -0.917 15.0-149.3 -94.2 112.5 17.0 12.3 19.2 8 33 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.694 93.7 62.4 -63.3 -14.9 14.7 10.2 17.0 9 34 A Q T 3 S+ 0 0 165 2,-0.1 2,-0.6 -3,-0.0 -3,-0.0 0.552 88.1 86.5 -79.0 -11.2 11.7 11.4 19.0 10 35 A I S < S- 0 0 60 -3,-2.3 -3,-0.1 180,-0.1 -1,-0.0 -0.834 70.9-145.9-100.0 121.5 12.3 15.0 17.9 11 36 A A - 0 0 69 -2,-0.6 184,-0.2 1,-0.1 183,-0.2 -0.410 25.2-101.8 -76.6 152.8 10.8 16.2 14.6 12 37 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 180,-0.1 -0.409 45.4-109.1 -63.4 154.8 12.4 18.7 12.3 13 38 A P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.374 35.1 -94.1 -74.4 165.5 10.9 22.1 12.6 14 39 A P - 0 0 83 0, 0.0 150,-0.2 0, 0.0 149,-0.2 -0.328 30.3-121.0 -64.2 160.7 8.7 23.7 9.9 15 40 A G + 0 0 15 148,-0.2 145,-0.0 149,-0.1 152,-0.0 0.152 58.6 147.8 -92.7 19.5 10.5 26.0 7.4 16 41 A T - 0 0 85 1,-0.1 148,-0.1 148,-0.0 2,-0.1 -0.201 39.2-138.1 -49.9 139.4 8.3 29.0 8.3 17 42 A A + 0 0 30 147,-0.1 71,-0.2 144,-0.0 -1,-0.1 -0.246 52.3 77.6 -90.8-176.2 10.2 32.3 8.0 18 43 A G S S- 0 0 20 69,-2.1 70,-0.2 72,-0.2 73,-0.1 0.224 77.9 -74.0 96.3 150.4 10.1 35.3 10.3 19 44 A P - 0 0 44 0, 0.0 70,-0.1 0, 0.0 4,-0.0 -0.374 34.3-123.6 -73.7 159.0 11.8 36.2 13.6 20 45 A A S S+ 0 0 80 68,-0.2 69,-0.1 1,-0.1 68,-0.0 0.783 98.4 11.3 -72.6 -30.1 10.5 34.6 16.9 21 46 A Q S S- 0 0 92 68,-0.1 -1,-0.1 120,-0.0 -3,-0.0 -0.959 103.6 -76.1-140.4 158.4 10.0 38.2 18.2 22 47 A P - 0 0 63 0, 0.0 118,-2.5 0, 0.0 119,-0.5 -0.279 49.2-152.8 -56.9 140.1 10.0 41.6 16.6 23 48 A M E -A 139 0A 45 66,-0.4 2,-0.3 116,-0.3 66,-0.0 -0.792 6.7-157.5-115.0 154.5 13.5 42.9 15.8 24 49 A M E -A 138 0A 100 114,-3.2 114,-2.2 -2,-0.3 2,-0.4 -0.978 27.1-111.0-131.0 147.5 14.8 46.5 15.5 25 50 A Q E +A 137 0A 83 -2,-0.3 112,-0.3 112,-0.2 3,-0.1 -0.663 34.8 174.4 -78.5 124.7 17.8 47.8 13.6 26 51 A R + 0 0 125 110,-2.9 2,-0.3 -2,-0.4 111,-0.2 0.609 61.6 41.5-105.9 -17.7 20.4 48.9 16.2 27 52 A S S S- 0 0 58 109,-1.4 -1,-0.2 3,-0.0 3,-0.1 -0.955 90.0 -97.9-133.3 149.0 23.4 49.8 13.9 28 53 A E - 0 0 167 -2,-0.3 -2,-0.1 1,-0.1 70,-0.0 -0.333 49.9 -98.2 -61.0 142.6 23.7 51.5 10.6 29 54 A a - 0 0 56 1,-0.1 2,-0.3 -2,-0.0 70,-0.2 -0.251 38.4-144.9 -61.1 154.9 23.9 49.2 7.5 30 55 A I - 0 0 40 68,-2.7 2,-0.3 -3,-0.1 -1,-0.1 -0.881 9.7-161.6-122.3 145.4 27.4 48.5 6.1 31 56 A T - 0 0 62 -2,-0.3 2,-0.2 69,-0.1 69,-0.1 -0.966 26.5-112.6-122.6 150.2 28.6 48.0 2.5 32 57 A T - 0 0 3 -2,-0.3 257,-0.3 266,-0.1 2,-0.2 -0.513 39.5-169.7 -77.7 150.0 31.9 46.3 1.4 33 58 A S B -B 297 0B 45 264,-2.3 263,-2.5 -2,-0.2 264,-1.1 -0.737 28.0 -85.7-135.0 173.5 34.4 48.6 -0.2 34 59 A V - 0 0 70 261,-0.2 271,-0.1 -2,-0.2 261,-0.1 -0.788 40.2-127.9 -88.7 127.8 37.7 48.6 -2.2 35 60 A L > - 0 0 36 -2,-0.5 3,-1.7 1,-0.1 262,-0.0 -0.581 33.2-110.5 -73.3 122.8 40.8 48.6 -0.1 36 61 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.229 101.4 27.4 -58.5 140.3 43.1 51.4 -1.2 37 62 A G T 3 S+ 0 0 92 1,-0.3 2,-0.2 -3,-0.0 -2,-0.1 0.407 101.4 105.0 90.4 -2.6 46.2 50.3 -2.9 38 63 A T < - 0 0 58 -3,-1.7 -1,-0.3 3,-0.0 3,-0.1 -0.690 62.6-142.9-106.0 164.9 44.7 47.0 -4.2 39 64 A D > + 0 0 114 -2,-0.2 3,-1.4 1,-0.1 -5,-0.0 -0.853 17.6 179.2-124.2 89.4 43.5 46.0 -7.6 40 65 A P T 3 S+ 0 0 17 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.703 76.6 67.9 -65.4 -18.9 40.3 43.9 -7.0 41 66 A G T 3 S+ 0 0 24 75,-0.1 76,-2.9 253,-0.1 2,-0.1 0.630 79.5 94.5 -76.2 -17.7 39.9 43.4 -10.8 42 67 A A S < S- 0 0 51 -3,-1.4 2,-0.1 74,-0.1 -3,-0.0 -0.488 97.2 -91.4 -68.7 145.9 43.0 41.3 -11.0 43 68 A V - 0 0 65 -2,-0.1 75,-0.1 1,-0.1 -1,-0.1 -0.394 49.8-118.6 -58.0 126.3 42.5 37.5 -10.9 44 69 A S >> - 0 0 20 73,-0.3 4,-1.6 1,-0.1 3,-1.1 -0.425 6.1-129.6 -69.5 139.9 42.8 36.6 -7.2 45 70 A P H 3> S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.758 109.8 66.5 -54.1 -25.5 45.5 34.2 -6.1 46 71 A N H 3> S+ 0 0 4 2,-0.2 4,-1.0 236,-0.2 5,-0.1 0.871 99.6 48.2 -64.9 -37.6 42.7 32.4 -4.3 47 72 A Q H X>>S+ 0 0 20 -3,-1.1 5,-1.2 2,-0.2 4,-0.7 0.928 111.2 50.8 -64.7 -43.9 41.1 31.5 -7.7 48 73 A L H ><5S+ 0 0 118 -4,-1.6 3,-1.0 1,-0.3 -2,-0.2 0.897 104.5 57.4 -64.2 -37.1 44.5 30.3 -9.0 49 74 A A H 3<5S+ 0 0 25 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.825 112.6 41.4 -57.5 -34.3 45.0 28.1 -5.9 50 75 A L H <<5S- 0 0 2 -4,-1.0 314,-0.4 -3,-0.6 -1,-0.3 0.492 101.3-135.0 -91.4 -8.1 41.7 26.4 -6.8 51 76 A N T S+ 0 0 67 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.937 106.7 44.1 -52.6 -48.5 39.9 27.8 -15.1 54 79 A G H >4 S+ 0 0 19 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.902 111.9 53.7 -61.3 -42.1 40.5 24.1 -15.2 55 80 A A H >X S+ 0 0 0 -4,-2.0 3,-2.3 1,-0.2 4,-2.0 0.895 99.2 61.1 -63.7 -39.7 37.3 23.3 -13.3 56 81 A W H 3< S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.684 91.7 67.5 -65.6 -17.0 35.1 25.3 -15.7 57 82 A Q T << S+ 0 0 164 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.647 112.3 33.7 -72.1 -14.8 36.2 23.0 -18.5 58 83 A H T <4 S- 0 0 78 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.749 132.7 -11.2-104.5 -36.0 34.2 20.3 -16.7 59 84 A S < - 0 0 10 -4,-2.0 -1,-0.4 1,-0.1 265,-0.1 -0.980 31.5-168.2-165.7 147.7 31.3 22.2 -15.1 60 85 A R - 0 0 66 -2,-0.3 64,-2.4 62,-0.1 65,-0.6 0.191 66.7 -95.8-122.1 7.8 30.0 25.7 -14.4 61 86 A G > + 0 0 0 263,-0.2 3,-1.9 63,-0.2 65,-0.2 0.613 58.2 177.3 93.0 13.7 27.2 24.5 -12.0 62 87 A A T 3 + 0 0 43 1,-0.2 -1,-0.2 63,-0.1 63,-0.2 -0.208 66.6 14.4 -54.8 138.0 24.3 24.4 -14.5 63 88 A G T 3 S+ 0 0 64 61,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.360 98.4 121.2 82.5 -3.6 21.0 23.1 -13.0 64 89 A Q < - 0 0 12 -3,-1.9 62,-2.8 60,-0.1 2,-0.5 -0.727 47.5-155.8 -98.9 142.5 22.1 23.5 -9.4 65 90 A T E -d 126 0C 11 -2,-0.3 106,-2.3 104,-0.3 107,-1.4 -0.980 8.6-167.4-115.0 125.6 20.5 25.6 -6.7 66 91 A V E -de 127 172C 0 60,-2.8 62,-2.3 -2,-0.5 2,-0.4 -0.957 11.6-145.4-113.5 124.2 22.6 26.8 -3.8 67 92 A A E -de 128 173C 0 105,-2.6 107,-3.1 -2,-0.5 2,-0.7 -0.779 5.8-154.9 -87.3 133.7 20.9 28.3 -0.7 68 93 A V E -de 129 174C 0 60,-3.4 62,-2.6 -2,-0.4 2,-0.9 -0.936 6.6-169.1-110.1 102.9 22.8 31.1 1.0 69 94 A I E +de 130 175C 0 105,-2.4 107,-0.6 -2,-0.7 108,-0.5 -0.875 49.4 95.8 -93.6 102.9 21.7 31.1 4.7 70 95 A D E S-d 131 0C 0 60,-2.4 62,-2.3 -2,-0.9 63,-1.5 -0.626 90.7 -42.9-162.4-151.5 23.3 34.4 5.7 71 96 A T S S- 0 0 2 1,-0.4 27,-0.6 60,-0.2 28,-0.4 0.162 95.9 -83.6 -89.3 18.5 22.8 38.2 6.1 72 97 A G - 0 0 0 58,-0.4 2,-0.4 -4,-0.2 -1,-0.4 -0.137 41.8-107.1 92.5 161.6 20.8 38.5 2.9 73 98 A V - 0 0 0 21,-1.7 56,-0.1 29,-0.2 58,-0.1 -0.993 19.2-141.6-132.6 123.4 22.1 39.0 -0.7 74 99 A Q - 0 0 58 -2,-0.4 22,-0.1 22,-0.1 21,-0.1 -0.744 22.5-134.9 -86.7 112.7 21.9 42.2 -2.6 75 100 A P + 0 0 58 0, 0.0 217,-0.0 0, 0.0 28,-0.0 -0.278 41.4 138.8 -64.4 150.4 21.1 41.6 -6.2 76 101 A G B > -L 79 0D 21 3,-1.0 3,-1.4 216,-0.1 216,-0.1 -0.949 67.2 -60.8-168.2-170.3 23.1 43.5 -8.8 77 102 A P T 3 S+ 0 0 97 0, 0.0 215,-0.1 0, 0.0 216,-0.1 0.782 133.9 43.9 -59.4 -26.5 24.8 43.1 -12.2 78 103 A R T 3 S+ 0 0 23 214,-0.5 34,-2.2 1,-0.2 3,-0.1 0.539 120.2 43.7 -94.0 -7.0 27.2 40.4 -10.9 79 104 A L B < +L 76 0D 0 -3,-1.4 -3,-1.0 32,-0.2 3,-0.3 -0.545 61.3 133.6-135.1 68.2 24.3 38.7 -9.0 80 105 A P + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.366 64.6 75.4 -86.3 -1.6 21.3 38.6 -11.4 81 106 A N + 0 0 26 29,-0.1 46,-2.7 -3,-0.1 2,-0.5 -0.162 67.6 119.0-109.4 37.6 20.9 34.9 -10.4 82 107 A V E -f 127 0C 24 -3,-0.3 2,-0.3 44,-0.2 46,-0.2 -0.932 43.0-161.6-117.1 126.3 19.4 35.3 -6.9 83 108 A E E -f 128 0C 79 44,-2.9 46,-2.7 -2,-0.5 2,-0.3 -0.737 30.3-104.0-100.4 143.2 15.9 34.0 -5.8 84 109 A A E +f 129 0C 42 -2,-0.3 10,-0.2 44,-0.2 46,-0.1 -0.507 38.8 168.7 -68.1 130.2 14.1 35.2 -2.7 85 110 A G E - 0 0 2 44,-2.2 9,-0.2 8,-0.8 45,-0.2 0.336 45.7-114.8-122.9 2.6 14.2 32.8 0.2 86 111 A G E - 0 0 11 7,-2.3 45,-2.8 43,-0.4 2,-0.3 -0.367 25.3 -80.8 97.3-171.4 12.8 35.1 2.9 87 112 A D E -f 131 0C 4 5,-0.3 -69,-2.1 43,-0.2 45,-0.2 -0.996 16.0-174.7-147.6 133.9 13.9 36.7 6.2 88 113 A Y S S+ 0 0 2 43,-2.8 -68,-0.2 -2,-0.3 44,-0.1 0.255 93.6 46.2-110.3 8.3 14.2 35.7 9.9 89 114 A I S S- 0 0 6 42,-0.3 -66,-0.4 1,-0.2 2,-0.1 0.762 127.4 -5.3-115.0 -63.1 15.1 39.2 11.0 90 115 A E S S- 0 0 78 41,-0.1 -1,-0.2 -68,-0.1 -72,-0.2 -0.196 86.3 -90.8-109.2-150.9 12.6 41.5 9.3 91 116 A S S S+ 0 0 123 -2,-0.1 -3,-0.0 -73,-0.1 -74,-0.0 -0.052 77.9 126.8-120.0 29.3 9.9 40.6 6.7 92 117 A T S S- 0 0 40 1,-0.1 -5,-0.3 4,-0.1 39,-0.1 -0.159 72.9-107.1 -75.4-179.9 11.9 41.2 3.6 93 118 A D - 0 0 77 -7,-0.2 -7,-2.3 -8,-0.1 -8,-0.8 0.386 57.5 -99.3 -90.3 1.7 12.4 38.7 0.7 94 119 A G S S+ 0 0 0 -9,-0.2 -21,-1.7 -10,-0.2 38,-0.1 0.421 101.6 105.3 93.1 -1.2 16.0 37.9 1.6 95 120 A L + 0 0 29 -23,-0.2 2,-0.5 -21,-0.1 -23,-0.1 0.050 56.8 87.2-106.3 22.6 17.3 40.3 -1.1 96 121 A T - 0 0 57 -22,-0.1 2,-0.6 -25,-0.0 -22,-0.1 -0.987 55.9-170.7-119.1 122.5 18.4 43.0 1.3 97 122 A D + 0 0 5 -2,-0.5 -25,-0.2 -25,-0.2 -23,-0.1 -0.909 13.0 172.9-116.9 106.8 21.9 42.8 2.8 98 123 A a S S+ 0 0 5 -2,-0.6 -68,-2.7 -27,-0.6 -1,-0.1 0.446 81.8 43.0 -87.2 -1.3 22.5 45.4 5.5 99 124 A D S S- 0 0 11 -28,-0.4 -1,-0.1 -70,-0.2 -27,-0.1 0.705 93.2-130.5-118.7 -34.4 25.9 43.8 6.4 100 125 A G S > S+ 0 0 1 -29,-0.2 4,-1.9 -28,-0.1 5,-0.2 0.175 81.5 100.4 101.5 -18.5 27.7 42.9 3.1 101 126 A H H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.954 77.7 47.3 -73.5 -50.3 28.5 39.4 4.2 102 127 A G H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.876 112.6 52.3 -56.9 -40.5 25.8 37.4 2.4 103 128 A T H > S+ 0 0 0 -31,-0.3 4,-2.4 2,-0.2 183,-0.4 0.914 109.6 47.5 -63.7 -44.3 26.6 39.3 -0.8 104 129 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 182,-0.3 0.925 114.7 47.6 -62.9 -41.8 30.3 38.5 -0.6 105 130 A V H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.960 111.8 48.7 -64.4 -49.4 29.5 34.9 0.1 106 131 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.4 0.897 108.6 55.9 -57.3 -41.8 26.9 34.7 -2.8 107 132 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.911 106.1 48.9 -60.6 -41.6 29.5 36.3 -5.1 108 133 A L H < S+ 0 0 2 -4,-1.8 13,-2.5 2,-0.2 -1,-0.2 0.868 114.9 46.5 -64.7 -37.0 32.1 33.6 -4.4 109 134 A I H < S- 0 0 0 -4,-1.7 13,-2.6 11,-0.2 -2,-0.2 0.945 140.4 -11.7 -71.1 -51.1 29.6 30.9 -5.0 110 135 A A H < S+ 0 0 0 -4,-2.7 -3,-0.2 11,-0.2 -2,-0.2 0.127 81.6 147.2-151.6 27.1 27.9 32.0 -8.2 111 136 A G < - 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0 0 30 -3,-1.5 2,-0.1 -7,-0.2 -3,-0.0 -0.396 67.8-126.8 -67.4 140.9 25.4 11.3 -6.8 333 362 A T > - 0 0 56 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.369 29.3-102.4 -73.7 166.5 23.9 11.5 -3.3 334 363 A A H > S+ 0 0 7 -134,-0.2 4,-2.6 1,-0.2 5,-0.2 0.893 124.8 53.0 -59.3 -39.7 25.0 14.2 -0.9 335 364 A R H > S+ 0 0 172 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 109.4 48.7 -63.9 -40.6 27.1 11.6 0.9 336 365 A Q H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 111.3 50.5 -64.5 -37.4 28.8 10.6 -2.3 337 366 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.932 110.6 47.8 -68.2 -44.1 29.5 14.3 -3.1 338 367 A V H X S+ 0 0 42 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.926 111.9 50.9 -61.3 -44.9 31.0 15.0 0.3 339 368 A H H X S+ 0 0 98 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.920 109.8 50.3 -57.6 -43.7 33.2 11.8 -0.1 340 369 A R H X S+ 0 0 22 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.896 111.8 48.0 -62.5 -42.1 34.3 13.0 -3.5 341 370 A L H < S+ 0 0 0 -4,-2.2 21,-0.3 2,-0.2 4,-0.3 0.928 118.6 38.5 -65.7 -46.6 35.2 16.4 -2.1 342 371 A T H >< S+ 0 0 32 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.904 112.9 53.5 -75.6 -38.4 37.1 15.1 0.9 343 372 A T H 3< S+ 0 0 51 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.755 114.5 43.4 -71.5 -18.7 38.9 12.1 -0.8 344 373 A T T 3< S+ 0 0 14 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.380 87.1 117.7-105.2 3.8 40.3 14.4 -3.5 345 374 A A S X S- 0 0 6 -3,-1.0 3,-1.9 -4,-0.3 16,-0.2 -0.236 81.3-100.9 -70.8 165.3 41.4 17.3 -1.3 346 375 A Q T 3 S+ 0 0 112 14,-2.8 3,-0.2 1,-0.3 13,-0.2 0.751 120.2 35.4 -66.5 -25.4 45.1 18.2 -1.2 347 376 A G T > S+ 0 0 17 11,-1.8 3,-1.9 1,-0.1 -1,-0.3 0.033 77.7 121.9-112.4 25.9 45.7 16.5 2.2 348 377 A A T < + 0 0 39 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.736 69.1 60.8 -64.2 -22.0 43.4 13.5 1.8 349 378 A A T 3 S+ 0 0 110 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.387 96.6 72.0 -89.2 2.6 46.2 11.0 2.2 350 379 A R S < S- 0 0 202 -3,-1.9 3,-0.1 8,-0.1 -3,-0.0 -0.689 101.3 -87.8-106.4 163.1 47.1 12.3 5.7 351 380 A S - 0 0 111 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.496 67.9 -82.8 -64.0 146.9 45.0 11.7 8.9 352 381 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 6,-0.2 -0.169 42.4-131.6 -61.9 145.0 42.5 14.6 9.0 353 382 A S B > -S 357 0J 37 4,-2.3 4,-2.0 1,-0.1 6,-0.2 -0.761 4.8-141.2 -89.7 140.9 43.6 17.9 10.5 354 383 A N T 4 S+ 0 0 2 -2,-0.4 -83,-2.2 2,-0.2 -80,-0.2 0.566 105.8 48.1 -77.0 -8.1 41.5 19.6 13.1 355 384 A L T 4 S+ 0 0 48 -85,-0.2 -98,-0.2 2,-0.1 -1,-0.2 0.849 135.0 3.9 -89.6 -46.4 42.5 22.9 11.3 356 385 A I T >4 S- 0 0 22 1,-0.3 3,-2.5 -82,-0.1 -2,-0.2 0.293 82.1-148.3-130.9 9.0 41.8 22.0 7.6 357 386 A G B 3< S-S 353 0J 3 -4,-2.0 -4,-2.3 1,-0.3 -81,-0.3 -0.380 83.6 -4.2 63.3-131.0 40.3 18.5 7.6 358 387 A A T 3 S- 0 0 14 -83,-2.3 -11,-1.8 1,-0.3 -1,-0.3 0.385 115.1-111.0 -74.6 3.2 41.3 16.6 4.4 359 388 A G < - 0 0 3 -3,-2.5 -82,-2.0 -13,-0.2 -1,-0.3 -0.436 64.6 -6.9 98.4-172.6 43.0 19.9 3.3 360 389 A M B S-k 277 0C 7 -98,-0.3 -14,-2.8 -84,-0.2 -82,-0.2 -0.334 77.4-108.8 -63.8 131.4 42.3 22.4 0.5 361 390 A V - 0 0 0 -84,-2.6 -1,-0.1 -16,-0.2 -16,-0.1 -0.243 25.7-152.4 -55.0 145.4 39.5 21.4 -1.8 362 391 A D > - 0 0 47 -21,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.845 9.8-172.4-128.6 90.8 40.7 20.4 -5.3 363 392 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.880 83.0 47.6 -57.6 -44.2 38.0 21.2 -7.8 364 393 A V H > S+ 0 0 33 -314,-0.4 4,-1.0 1,-0.2 5,-0.2 0.926 113.6 48.6 -65.6 -41.2 39.6 19.6 -10.9 365 394 A A H >> S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.923 111.8 50.1 -62.4 -42.6 40.5 16.4 -8.9 366 395 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.862 111.7 48.9 -63.3 -33.3 36.9 16.3 -7.6 367 396 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.625 120.4 34.6 -83.4 -13.3 35.5 16.6 -11.1 368 397 A T H << S+ 0 0 74 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.488 83.8 120.0-120.0 -7.0 37.7 13.9 -12.6 369 398 A W < 0 0 112 -4,-1.7 -25,-0.0 -5,-0.2 -29,-0.0 -0.307 360.0 360.0 -63.2 140.9 38.1 11.3 -9.9 370 399 A D 0 0 177 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.966 360.0 360.0-110.7 360.0 36.9 7.7 -10.7