==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-SEP-05 2B4P . COMPND 2 MOLECULE: MYO-INOSITOL HEXAPHOSPHATE PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SELENOMONAS RUMINANTIUM; . AUTHOR R.J.GRUNINGER,L.B.SELINGER,S.C.MOSIMANN . 627 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.3 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 34 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 0 0 4 0 0 2 0 4 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 4 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 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 33 A M 0 0 160 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -78.7 -28.6 15.5 33.2 2 34 A T - 0 0 127 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.996 360.0-116.3-139.9 143.0 -25.2 13.9 33.3 3 35 A V - 0 0 116 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.654 17.2-154.9 -80.1 126.5 -23.1 11.9 30.8 4 36 A T S S+ 0 0 122 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 0.946 82.8 16.6 -65.4 -51.5 -22.4 8.3 32.0 5 37 A E S S- 0 0 56 8,-0.0 -1,-0.3 5,-0.0 3,-0.1 -0.966 79.3-145.8-129.2 118.0 -19.2 7.8 30.0 6 38 A P > - 0 0 54 0, 0.0 3,-2.4 0, 0.0 307,-0.1 -0.327 40.2 -75.7 -77.7 161.1 -17.3 10.7 28.4 7 39 A V T 3 S+ 0 0 21 305,-0.5 305,-0.4 1,-0.3 272,-0.0 -0.305 124.2 37.5 -52.9 134.3 -15.5 10.7 25.1 8 40 A G T 3 S+ 0 0 6 -3,-0.1 -1,-0.3 303,-0.1 3,-0.1 0.246 110.6 65.1 102.6 -11.5 -12.2 8.8 25.7 9 41 A S X + 0 0 18 -3,-2.4 3,-1.7 187,-0.1 4,-0.3 0.032 57.2 124.0-128.5 24.0 -13.9 6.3 28.0 10 42 A Y G > + 0 0 53 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.877 68.4 63.0 -52.9 -44.4 -16.3 4.6 25.6 11 43 A A G > S+ 0 0 15 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.702 85.0 76.4 -57.4 -21.4 -15.0 1.1 26.4 12 44 A R G < S+ 0 0 161 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.735 88.1 60.2 -63.8 -18.9 -16.1 1.5 30.0 13 45 A A G < S+ 0 0 72 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.662 86.4 92.8 -82.7 -16.9 -19.7 0.8 28.8 14 46 A E S < S- 0 0 50 -3,-1.4 -3,-0.0 -4,-0.3 0, 0.0 -0.379 82.0-116.2 -74.4 157.3 -18.8 -2.7 27.5 15 47 A R > - 0 0 129 1,-0.1 3,-2.2 -2,-0.1 4,-0.1 -0.854 14.3-157.8-101.9 112.0 -19.3 -5.7 29.8 16 48 A P G > S+ 0 0 51 0, 0.0 3,-2.0 0, 0.0 109,-0.2 0.799 89.3 68.7 -53.3 -33.1 -16.0 -7.5 30.7 17 49 A Q G 3 S+ 0 0 65 1,-0.3 3,-0.5 2,-0.2 106,-0.0 0.689 94.0 58.9 -63.3 -16.5 -17.9 -10.7 31.5 18 50 A D G < S+ 0 0 74 -3,-2.2 -1,-0.3 1,-0.2 101,-0.1 0.376 108.3 43.2 -94.7 5.7 -18.7 -11.1 27.8 19 51 A F S < S+ 0 0 14 -3,-2.0 -1,-0.2 103,-0.2 106,-0.2 0.011 75.6 155.0-138.2 32.1 -15.0 -11.2 26.7 20 52 A E - 0 0 67 -3,-0.5 99,-0.5 98,-0.1 103,-0.1 -0.276 51.2 -94.8 -65.7 147.2 -13.3 -13.5 29.2 21 53 A G E +A 118 0A 13 102,-0.4 97,-0.3 97,-0.2 440,-0.1 -0.250 44.8 166.8 -61.0 147.3 -10.1 -15.3 28.2 22 54 A F E + 0 0 22 95,-3.2 2,-0.3 1,-0.3 441,-0.2 0.442 55.5 29.8-140.3 -9.7 -10.4 -18.9 26.8 23 55 A V E S-A 117 0A 5 94,-1.3 94,-2.9 92,-0.1 2,-0.9 -0.999 70.6-111.7-155.2 153.1 -7.1 -19.8 25.2 24 56 A W E -Ab 116 150A 22 125,-0.9 127,-2.0 -2,-0.3 2,-0.3 -0.790 42.4-154.4 -83.4 108.0 -3.3 -19.3 25.2 25 57 A R E -Ab 115 151A 41 90,-3.0 90,-1.6 -2,-0.9 2,-0.6 -0.662 16.4-118.0 -87.5 140.8 -2.7 -17.5 21.9 26 58 A L E -A 114 0A 44 125,-1.8 127,-0.3 -2,-0.3 88,-0.2 -0.688 24.4-168.4 -77.0 118.4 0.7 -17.7 20.2 27 59 A D S S+ 0 0 19 86,-2.6 2,-0.3 -2,-0.6 48,-0.2 0.763 70.8 0.2 -81.1 -28.4 2.1 -14.1 20.1 28 60 A N - 0 0 20 85,-0.7 -1,-0.3 48,-0.1 48,-0.1 -0.884 53.9-144.8-162.3 130.6 5.0 -14.8 17.6 29 61 A D - 0 0 94 -2,-0.3 47,-0.0 -3,-0.2 -1,-0.0 0.502 39.8-132.4 -77.9 -2.1 6.1 -18.0 15.8 30 62 A G + 0 0 33 1,-0.1 -1,-0.1 4,-0.0 46,-0.0 0.683 66.4 127.5 61.8 25.1 9.7 -16.8 16.1 31 63 A K + 0 0 157 3,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.797 59.9 65.1 -81.9 -28.5 10.8 -17.5 12.5 32 64 A E S S- 0 0 106 2,-0.1 48,-0.1 1,-0.1 4,-0.1 -0.546 83.0-125.3 -93.4 161.3 12.2 -14.0 11.9 33 65 A A S S+ 0 0 64 -2,-0.2 50,-0.2 2,-0.1 51,-0.1 0.807 94.5 33.5 -73.0 -29.3 15.2 -12.4 13.6 34 66 A L S S- 0 0 37 1,-0.1 -2,-0.1 49,-0.1 47,-0.1 -0.829 91.0 -98.4-125.9 162.1 13.2 -9.4 14.7 35 67 A P > - 0 0 2 0, 0.0 3,-0.7 0, 0.0 41,-0.1 -0.226 54.7 -86.6 -69.4 171.0 9.6 -8.7 15.8 36 68 A R T 3 S+ 0 0 127 39,-0.5 38,-2.0 1,-0.2 0, 0.0 -0.398 105.4 18.8 -81.0 158.1 7.2 -7.3 13.3 37 69 A N T 3 S+ 0 0 77 1,-0.2 2,-0.3 36,-0.2 -1,-0.2 0.776 80.2 176.4 55.6 31.5 6.7 -3.6 12.5 38 70 A F < + 0 0 41 -3,-0.7 2,-0.3 35,-0.1 35,-0.2 -0.511 9.9 153.4 -69.3 127.5 10.1 -2.8 14.1 39 71 A R E -F 72 0B 2 33,-2.0 33,-2.3 -2,-0.3 2,-0.3 -0.992 26.0-158.9-153.3 153.1 10.9 0.9 13.7 40 72 A T E > -F 71 0B 1 -2,-0.3 3,-1.6 31,-0.2 31,-0.3 -0.907 35.0-111.8-132.4 163.2 12.9 3.7 15.4 41 73 A S T 3 S+ 0 0 2 29,-2.6 27,-0.2 -2,-0.3 30,-0.1 0.496 115.1 63.8 -71.9 -1.4 12.8 7.5 15.4 42 74 A A T 3 S+ 0 0 52 28,-0.3 -1,-0.3 2,-0.1 24,-0.1 0.571 83.1 107.0 -95.4 -9.2 16.1 7.5 13.5 43 75 A D S < S- 0 0 49 -3,-1.6 2,-0.1 1,-0.1 -4,-0.0 -0.225 76.7-101.9 -71.4 156.9 14.6 5.7 10.5 44 76 A A - 0 0 74 1,-0.1 2,-0.3 210,-0.1 -1,-0.1 -0.437 37.2-109.4 -76.1 148.4 13.9 7.4 7.1 45 77 A L - 0 0 44 -2,-0.1 2,-0.2 15,-0.1 209,-0.2 -0.599 38.7-165.9 -79.6 139.5 10.4 8.5 6.3 46 78 A R - 0 0 201 207,-2.1 209,-0.1 -2,-0.3 -1,-0.0 -0.688 34.1 -63.7-119.0 175.6 8.7 6.4 3.6 47 79 A A - 0 0 88 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.253 59.5-110.9 -57.4 141.3 5.6 6.7 1.3 48 80 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.323 35.5 -94.7 -72.9 158.0 2.3 6.8 3.3 49 81 A E > - 0 0 96 1,-0.1 3,-1.6 203,-0.0 5,-0.4 -0.566 28.1-131.5 -73.0 134.8 -0.2 3.9 3.1 50 82 A K G > S+ 0 0 198 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.808 100.2 71.8 -55.9 -33.9 -2.9 4.5 0.5 51 83 A K G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 214,-0.0 0.761 94.9 53.4 -56.3 -27.5 -5.6 3.5 2.9 52 84 A F G < S- 0 0 3 -3,-1.6 -1,-0.3 210,-0.1 -2,-0.2 0.514 98.7-137.9 -89.0 -5.1 -5.1 6.8 4.9 53 85 A H < + 0 0 124 -3,-2.0 2,-0.1 -4,-0.3 -3,-0.1 0.907 44.6 159.8 49.3 53.1 -5.5 9.0 1.8 54 86 A L - 0 0 33 -5,-0.4 2,-0.9 1,-0.0 -1,-0.1 -0.424 51.4 -89.2 -98.0 175.6 -2.6 11.3 2.7 55 87 A D > - 0 0 81 1,-0.2 3,-1.2 -2,-0.1 -1,-0.0 -0.764 33.7-169.3 -88.1 102.3 -0.5 13.7 0.7 56 88 A A T 3 S+ 0 0 75 -2,-0.9 -1,-0.2 1,-0.3 -6,-0.0 0.734 85.3 58.3 -63.4 -24.0 2.5 11.6 -0.6 57 89 A A T 3 S+ 0 0 84 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.683 82.1 108.5 -81.0 -16.7 4.2 14.8 -1.8 58 90 A Y < - 0 0 63 -3,-1.2 -4,-0.0 1,-0.1 0, 0.0 -0.365 59.0-151.7 -65.0 134.5 4.2 16.3 1.6 59 91 A V - 0 0 124 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.883 15.4-146.2-109.7 98.9 7.6 16.4 3.4 60 92 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -15,-0.1 -0.263 23.1-104.5 -62.3 148.7 7.1 16.2 7.1 61 93 A S - 0 0 49 1,-0.1 189,-0.1 182,-0.1 181,-0.0 -0.562 21.0-158.6 -73.5 137.3 9.5 18.1 9.4 62 94 A R > + 0 0 86 -2,-0.2 3,-2.6 2,-0.0 4,-0.4 0.244 37.8 149.6 -98.7 11.6 12.1 15.9 11.2 63 95 A E T 3 S+ 0 0 120 1,-0.3 179,-0.1 2,-0.1 -2,-0.1 -0.211 73.2 3.9 -49.4 121.1 12.7 18.5 13.9 64 96 A G T >> S+ 0 0 18 1,-0.0 3,-0.5 178,-0.0 4,-0.5 0.368 95.1 113.6 84.6 -4.9 13.6 16.7 17.1 65 97 A M H X> + 0 0 1 -3,-2.6 3,-0.8 1,-0.2 4,-0.7 0.864 69.5 61.0 -68.8 -34.1 13.6 13.2 15.7 66 98 A D H 34 S+ 0 0 135 -4,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.786 114.5 35.3 -63.5 -26.8 17.4 12.7 16.2 67 99 A A H <4 S+ 0 0 54 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.387 92.6 91.2-106.8 2.9 16.9 13.2 20.0 68 100 A L H << - 0 0 2 -3,-0.8 -2,-0.1 -4,-0.5 -1,-0.1 0.912 65.6-167.1 -64.9 -42.9 13.5 11.5 20.3 69 101 A H < + 0 0 47 -4,-0.7 147,-2.1 1,-0.2 2,-0.3 0.939 33.9 128.6 55.9 58.3 15.1 8.1 21.0 70 102 A I E + g 0 216B 1 145,-0.2 -29,-2.6 147,-0.0 2,-0.3 -0.950 30.2 178.5-139.1 160.5 12.1 5.8 20.7 71 103 A S E -Fg 40 217B 0 145,-2.2 147,-2.8 -2,-0.3 2,-0.3 -0.936 8.6-155.0-150.7 169.5 11.1 2.6 18.8 72 104 A G E +Fg 39 218B 0 -33,-2.3 -33,-2.0 -2,-0.3 2,-0.3 -0.980 16.9 151.5-149.9 159.9 8.2 0.3 18.4 73 105 A S E - g 0 219B 0 145,-1.2 147,-1.2 -2,-0.3 150,-0.3 -0.978 39.5 -91.1-171.8 174.6 7.4 -3.3 17.5 74 106 A S - 0 0 5 -38,-2.0 148,-0.3 148,-0.3 147,-0.2 -0.121 65.8 -61.6 -82.7-171.2 5.0 -6.2 17.9 75 107 A A - 0 0 2 146,-2.4 -39,-0.5 -48,-0.2 2,-0.3 -0.253 62.0-162.8 -68.0 166.2 5.4 -9.0 20.5 76 108 A F - 0 0 1 -41,-0.1 -48,-0.1 -3,-0.1 -49,-0.1 -0.944 22.2-109.4-150.8 164.6 8.5 -11.1 20.4 77 109 A T > - 0 0 20 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.463 47.7-101.6 -85.3 167.8 10.3 -14.3 21.4 78 110 A P H > S+ 0 0 23 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.918 124.1 51.0 -60.4 -37.4 13.1 -14.0 23.9 79 111 A A H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.891 108.1 52.0 -64.4 -40.1 15.7 -14.3 21.1 80 112 A Q H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 106.4 53.6 -64.8 -38.5 14.0 -11.6 19.1 81 113 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.898 106.3 53.2 -63.4 -38.6 14.1 -9.2 22.1 82 114 A K H X S+ 0 0 97 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.885 108.6 49.4 -62.9 -37.9 17.8 -9.8 22.4 83 115 A N H X S+ 0 0 70 -4,-1.7 4,-1.9 -50,-0.2 -1,-0.2 0.876 111.2 49.7 -68.7 -35.9 18.3 -8.9 18.7 84 116 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.954 109.5 51.1 -64.4 -47.9 16.2 -5.8 19.3 85 117 A A H X S+ 0 0 10 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.890 110.2 49.8 -55.8 -42.9 18.4 -4.8 22.3 86 118 A A H X S+ 0 0 59 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.883 110.6 49.3 -66.2 -38.3 21.6 -5.3 20.3 87 119 A K H >< S+ 0 0 92 -4,-1.9 3,-0.6 1,-0.2 4,-0.2 0.914 112.9 46.9 -67.7 -40.0 20.3 -3.1 17.5 88 120 A L H >X S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 4,-0.9 0.834 102.8 62.9 -70.9 -32.5 19.2 -0.3 19.8 89 121 A R H 3< S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.740 95.6 61.4 -65.3 -20.1 22.5 -0.5 21.7 90 122 A E T << S+ 0 0 175 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.651 108.0 44.7 -78.0 -12.0 24.2 0.6 18.5 91 123 A K T <4 S+ 0 0 100 -3,-1.7 2,-0.3 -4,-0.2 -2,-0.2 0.580 120.1 21.2-105.9 -14.7 22.2 3.8 18.6 92 124 A T < - 0 0 21 -4,-0.9 -1,-0.2 2,-0.1 4,-0.1 -0.994 42.9-154.4-155.1 158.0 22.6 4.8 22.3 93 125 A A S S+ 0 0 94 -2,-0.3 120,-0.1 -3,-0.1 -4,-0.1 0.169 73.8 95.4-114.2 11.4 24.6 4.5 25.5 94 126 A G S S- 0 0 4 119,-0.3 120,-0.2 1,-0.1 2,-0.1 -0.368 91.4 -68.6 -95.6 177.4 21.7 5.3 27.7 95 127 A P - 0 0 22 0, 0.0 120,-3.0 0, 0.0 2,-0.5 -0.471 46.8-143.1 -68.5 137.8 19.3 2.9 29.5 96 128 A I E -h 215 0B 5 85,-0.4 87,-3.0 118,-0.2 2,-0.4 -0.914 15.0-156.0-105.3 123.0 17.0 1.0 27.1 97 129 A Y E -hi 216 183B 24 118,-3.0 120,-2.7 -2,-0.5 2,-0.9 -0.829 14.8-147.3-104.7 133.9 13.4 0.4 28.4 98 130 A D E -hi 217 184B 0 85,-3.6 87,-2.1 -2,-0.4 2,-1.0 -0.881 20.9-162.8 -91.3 102.2 11.0 -2.3 27.3 99 131 A V E -hi 218 185B 0 118,-2.8 120,-1.7 -2,-0.9 2,-0.7 -0.816 2.7-159.5 -94.6 100.1 7.7 -0.4 27.7 100 132 A D E +hi 219 186B 0 85,-1.9 87,-2.9 -2,-1.0 120,-0.1 -0.707 14.7 178.5 -81.9 111.6 5.1 -3.1 27.7 101 133 A L E + 0 0 0 118,-2.2 88,-1.2 -2,-0.7 2,-0.6 0.239 39.6 119.8 -99.2 14.4 1.7 -1.6 26.8 102 134 A R E - i 0 189B 2 86,-0.2 88,-0.2 117,-0.2 4,-0.1 -0.684 37.8-177.3 -92.5 121.2 -0.4 -4.8 27.0 103 135 A Q + 0 0 12 86,-1.9 -1,-0.2 -2,-0.6 87,-0.2 0.858 63.4 92.2 -76.6 -35.0 -3.3 -5.1 29.4 104 136 A E S S- 0 0 1 85,-0.4 2,-0.3 17,-0.2 13,-0.1 -0.240 92.9-100.6 -60.1 144.3 -3.9 -8.7 28.4 105 137 A S + 0 0 2 11,-0.4 11,-2.6 10,-0.0 2,-0.3 -0.523 58.1 157.8 -69.2 129.7 -2.1 -11.3 30.5 106 138 A H E +C 115 0A 2 -2,-0.3 67,-0.4 9,-0.3 2,-0.3 -0.969 8.4 129.2-150.2 165.1 1.0 -12.6 28.7 107 139 A G E -C 114 0A 1 7,-2.4 7,-2.3 -2,-0.3 2,-0.4 -0.897 52.2 -62.7 179.4-150.7 4.3 -14.3 29.3 108 140 A Y E -CD 113 171A 5 63,-2.3 63,-2.0 -2,-0.3 2,-0.6 -0.989 27.1-166.6-135.8 125.7 6.5 -17.2 28.1 109 141 A L E > S-CD 112 170A 0 3,-2.3 3,-2.2 -2,-0.4 61,-0.2 -0.952 87.2 -20.3-109.4 112.5 5.8 -20.9 28.3 110 142 A D T 3 S- 0 0 35 59,-3.0 -1,-0.2 -2,-0.6 60,-0.1 0.885 129.7 -53.4 53.8 37.9 9.0 -22.9 27.6 111 143 A G T 3 S+ 0 0 21 1,-0.2 -1,-0.3 58,-0.2 59,-0.1 0.378 111.3 126.2 80.9 -6.0 10.3 -19.8 25.9 112 144 A I E < - 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0 0 48 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.798 68.4 -64.8 76.9 28.8 -22.8 -70.5 34.5 613 331 B Y < + 0 0 50 -5,-2.3 -1,-0.1 -8,-0.1 -4,-0.1 0.952 69.0 170.3 58.1 56.7 -19.6 -68.4 34.5 614 332 B Q S S+ 0 0 145 -6,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.799 70.9 46.1 -64.3 -30.9 -18.3 -69.5 37.9 615 333 B T S S- 0 0 55 -7,-0.1 -1,-0.1 4,-0.0 2,-0.0 -0.954 90.4-125.0-116.8 132.9 -15.0 -67.7 37.1 616 334 B P > - 0 0 45 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.273 24.1-107.1 -76.0 163.9 -14.9 -64.2 35.6 617 335 B W H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.886 116.1 55.0 -52.4 -47.9 -13.1 -63.1 32.4 618 336 B S H > S+ 0 0 26 -107,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.884 113.1 41.4 -59.2 -41.8 -10.3 -61.3 34.3 619 337 B V H > S+ 0 0 62 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.907 115.8 48.8 -72.4 -44.4 -9.3 -64.4 36.3 620 338 B W H X S+ 0 0 11 -4,-2.5 4,-1.2 1,-0.2 3,-0.4 0.916 109.9 52.6 -61.9 -42.5 -9.7 -66.8 33.4 621 339 B L H < S+ 0 0 16 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.865 102.9 58.1 -63.3 -36.8 -7.6 -64.6 31.2 622 340 B K H < S+ 0 0 163 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 114.4 37.1 -63.6 -32.6 -4.7 -64.4 33.7 623 341 B S H < S+ 0 0 81 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.572 124.6 42.6 -95.1 -9.7 -4.4 -68.2 33.7 624 342 B H S < S- 0 0 56 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.502 84.3-170.6-131.0 63.4 -5.1 -68.4 29.9 625 343 B P - 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