==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUL-10 3O3L . COMPND 2 MOLECULE: MYO-INOSITOL HEXAPHOSPHATE PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SELENOMONAS RUMINANTIUM; . AUTHOR R.J.GRUNINGER,L.B.SELINGER,S.C.MOSIMANN . 630 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 35 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 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 2 0 0 4 0 0 2 0 3 1 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 32 A E 0 0 193 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-121.7 -30.5 15.4 29.7 2 33 A Q + 0 0 163 2,-0.0 2,-0.2 0, 0.0 0, 0.0 0.822 360.0 84.2-101.6 -48.2 -27.2 17.1 30.6 3 34 A T - 0 0 92 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.390 63.9-148.6 -68.3 132.8 -25.0 14.3 32.0 4 35 A V - 0 0 115 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 -0.854 3.2-150.7-101.3 134.8 -23.0 12.2 29.5 5 36 A T S S+ 0 0 124 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.907 83.1 13.9 -74.1 -45.5 -22.3 8.6 30.5 6 37 A E S S- 0 0 52 8,-0.0 -1,-0.3 6,-0.0 3,-0.1 -0.979 78.2-141.4-134.4 122.1 -19.0 8.1 28.6 7 38 A P > - 0 0 62 0, 0.0 3,-2.2 0, 0.0 307,-0.1 -0.304 40.4 -79.0 -75.9 163.8 -17.0 11.0 27.1 8 39 A V T 3 S+ 0 0 22 305,-0.5 305,-0.4 1,-0.3 272,-0.0 -0.411 123.8 39.1 -61.0 137.8 -15.2 10.9 23.8 9 40 A G T 3 S+ 0 0 6 -3,-0.1 -1,-0.3 303,-0.1 3,-0.1 0.179 111.1 64.4 100.8 -14.7 -11.9 9.0 24.3 10 41 A S X + 0 0 18 -3,-2.2 3,-1.9 1,-0.1 4,-0.3 0.067 56.0 123.4-125.9 23.0 -13.7 6.6 26.7 11 42 A Y G > + 0 0 49 1,-0.3 3,-2.6 2,-0.2 4,-0.3 0.890 69.2 64.7 -50.1 -43.6 -16.2 4.8 24.4 12 43 A A G > S+ 0 0 15 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.716 85.0 73.5 -56.1 -22.0 -14.7 1.4 25.2 13 44 A R G < S+ 0 0 161 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.723 88.9 62.0 -65.7 -18.0 -15.9 1.9 28.8 14 45 A A G < S+ 0 0 73 -3,-2.6 -1,-0.3 -4,-0.3 -2,-0.2 0.649 85.2 94.1 -82.3 -13.3 -19.4 1.2 27.6 15 46 A E S < S- 0 0 47 -3,-1.5 0, 0.0 -4,-0.3 0, 0.0 -0.471 82.7-115.7 -78.1 153.3 -18.5 -2.3 26.4 16 47 A R > - 0 0 142 1,-0.1 3,-2.0 -2,-0.1 4,-0.1 -0.795 16.1-157.2 -94.4 109.5 -19.2 -5.3 28.8 17 48 A P G > S+ 0 0 48 0, 0.0 3,-2.3 0, 0.0 109,-0.2 0.829 88.8 67.2 -52.9 -38.0 -16.0 -7.0 29.8 18 49 A Q G > S+ 0 0 78 1,-0.3 3,-0.5 2,-0.2 -2,-0.0 0.685 93.8 60.4 -59.0 -19.5 -17.8 -10.3 30.6 19 50 A D G < S+ 0 0 76 -3,-2.0 -1,-0.3 1,-0.2 101,-0.1 0.406 106.5 44.3 -89.6 4.7 -18.6 -10.7 27.0 20 51 A F G < S+ 0 0 10 -3,-2.3 -1,-0.2 103,-0.2 106,-0.2 0.048 75.5 156.3-135.4 28.6 -14.9 -10.8 25.9 21 52 A E < - 0 0 49 -3,-0.5 99,-0.5 98,-0.2 103,-0.2 -0.195 49.9 -95.9 -60.4 148.6 -13.2 -13.2 28.4 22 53 A G E +A 119 0A 12 102,-0.4 97,-0.3 97,-0.2 442,-0.1 -0.279 44.9 165.7 -64.8 147.1 -10.0 -15.0 27.4 23 54 A F E + 0 0 21 95,-3.0 2,-0.3 1,-0.3 443,-0.2 0.433 55.7 31.2-141.0 -5.9 -10.3 -18.5 26.1 24 55 A V E S-A 118 0A 4 94,-1.2 94,-2.9 92,-0.0 2,-1.0 -0.997 71.1-113.2-157.2 150.6 -7.0 -19.5 24.5 25 56 A W E -Ab 117 151A 20 125,-1.0 127,-2.3 -2,-0.3 2,-0.3 -0.777 43.1-153.0 -83.3 104.0 -3.2 -19.0 24.6 26 57 A R E -Ab 116 152A 34 90,-3.2 90,-1.8 -2,-1.0 2,-0.6 -0.636 15.6-118.4 -82.9 139.0 -2.7 -17.2 21.3 27 58 A L E -A 115 0A 45 125,-2.3 127,-0.2 -2,-0.3 88,-0.2 -0.687 25.9-168.4 -77.2 116.8 0.7 -17.5 19.5 28 59 A D S S+ 0 0 17 86,-2.7 2,-0.3 -2,-0.6 48,-0.3 0.758 70.7 3.7 -81.2 -27.7 2.1 -13.9 19.3 29 60 A N - 0 0 22 85,-0.7 -1,-0.3 48,-0.1 48,-0.1 -0.911 57.6-143.6-157.4 132.0 4.9 -14.6 16.9 30 61 A D - 0 0 94 -2,-0.3 47,-0.0 -3,-0.2 -1,-0.0 0.499 38.2-130.6 -77.1 -1.1 6.0 -17.8 15.1 31 62 A G + 0 0 33 1,-0.1 -1,-0.1 4,-0.0 46,-0.0 0.545 69.3 124.4 68.8 7.0 9.7 -17.0 15.6 32 63 A K + 0 0 165 2,-0.0 2,-0.2 3,-0.0 -1,-0.1 0.843 59.8 61.6 -70.6 -33.1 10.6 -17.6 11.9 33 64 A E S S- 0 0 141 2,-0.2 4,-0.1 1,-0.1 48,-0.0 -0.570 81.9-124.4 -95.2 159.1 12.2 -14.2 11.2 34 65 A A S S+ 0 0 64 -2,-0.2 50,-0.2 2,-0.1 51,-0.1 0.805 96.1 36.9 -68.2 -30.6 15.2 -12.6 12.8 35 66 A L S S- 0 0 47 49,-0.1 -2,-0.2 1,-0.1 47,-0.1 -0.824 89.9-100.9-123.8 161.8 13.1 -9.6 13.7 36 67 A P > - 0 0 7 0, 0.0 3,-0.7 0, 0.0 41,-0.1 -0.311 53.6 -90.8 -70.4 166.1 9.5 -8.8 14.9 37 68 A R T 3 S+ 0 0 149 39,-0.4 38,-2.3 1,-0.2 0, 0.0 -0.366 105.6 21.3 -76.2 157.4 7.1 -7.5 12.2 38 69 A N T 3 S+ 0 0 59 36,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.765 81.5 170.6 55.6 31.2 6.6 -3.8 11.5 39 70 A F < + 0 0 42 -3,-0.7 2,-0.3 35,-0.1 35,-0.2 -0.527 7.8 147.8 -74.3 131.5 10.0 -3.0 13.0 40 71 A R E -F 73 0B 3 33,-1.8 33,-2.1 -2,-0.3 2,-0.3 -0.984 30.0-150.9-160.4 155.7 11.0 0.6 12.3 41 72 A T E > -F 72 0B 1 -2,-0.3 3,-1.9 31,-0.2 31,-0.3 -0.895 33.2-112.0-127.7 162.0 13.0 3.4 14.0 42 73 A S T 3 S+ 0 0 1 29,-2.5 27,-0.2 -2,-0.3 30,-0.1 0.559 114.6 66.1 -69.4 -4.6 12.8 7.2 13.8 43 74 A A T 3 S+ 0 0 45 28,-0.3 -1,-0.3 24,-0.1 24,-0.1 0.546 83.4 111.2 -89.9 -6.2 16.1 7.2 12.0 44 75 A D S < S- 0 0 51 -3,-1.9 2,-0.1 1,-0.1 -4,-0.0 -0.220 75.0-105.3 -73.6 159.1 14.5 5.5 9.0 45 76 A A - 0 0 59 1,-0.1 2,-0.2 210,-0.1 -1,-0.1 -0.455 39.2-110.7 -75.1 147.6 13.8 6.8 5.5 46 77 A L - 0 0 42 -2,-0.1 2,-0.2 15,-0.1 209,-0.2 -0.605 34.8-158.5 -80.5 144.0 10.2 7.7 4.8 47 78 A R - 0 0 182 207,-2.5 209,-0.1 -2,-0.2 206,-0.0 -0.650 34.7 -69.4-112.4 174.5 8.4 5.5 2.2 48 79 A A - 0 0 86 -2,-0.2 -1,-0.2 1,-0.1 9,-0.1 -0.263 60.4-103.3 -62.7 146.8 5.4 6.0 0.0 49 80 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.302 38.2 -96.3 -71.3 159.5 2.1 6.2 1.9 50 81 A E > - 0 0 95 1,-0.1 3,-1.6 3,-0.0 5,-0.4 -0.597 29.1-129.5 -76.5 136.1 -0.4 3.3 2.0 51 82 A K G > S+ 0 0 188 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.842 101.4 66.7 -52.2 -41.3 -3.1 3.7 -0.6 52 83 A K G 3 S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.1 214,-0.0 0.726 95.0 58.0 -57.8 -22.3 -5.9 3.1 1.8 53 84 A F G < S- 0 0 2 -3,-1.6 -1,-0.3 210,-0.1 -2,-0.2 0.524 97.2-139.7 -87.6 -4.0 -5.2 6.3 3.7 54 85 A H < + 0 0 123 -3,-2.2 2,-0.2 -4,-0.3 -3,-0.1 0.905 43.5 160.2 46.9 53.9 -5.7 8.4 0.5 55 86 A L - 0 0 33 -5,-0.4 2,-0.9 -4,-0.0 -1,-0.1 -0.519 51.5 -91.1-100.5 172.7 -2.8 10.7 1.3 56 87 A D > - 0 0 81 -2,-0.2 3,-1.0 1,-0.2 -1,-0.0 -0.731 33.5-168.4 -85.6 102.7 -0.7 13.0 -0.8 57 88 A A T 3 S+ 0 0 76 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.0 0.678 85.4 58.6 -65.2 -18.6 2.2 10.9 -2.1 58 89 A A T 3 S+ 0 0 80 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.727 81.5 108.4 -84.3 -20.9 4.0 14.0 -3.4 59 90 A Y < - 0 0 62 -3,-1.0 -4,-0.0 1,-0.1 0, 0.0 -0.292 57.8-153.3 -60.6 136.4 4.1 15.6 0.1 60 91 A V - 0 0 123 -2,-0.0 -1,-0.1 -14,-0.0 3,-0.1 -0.902 14.3-147.9-115.0 99.9 7.5 15.7 1.8 61 92 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -15,-0.1 -0.323 25.4-102.1 -64.8 150.6 7.1 15.8 5.6 62 93 A S - 0 0 47 1,-0.1 189,-0.1 182,-0.1 181,-0.0 -0.472 22.1-158.3 -70.2 143.6 9.6 17.7 7.7 63 94 A R > + 0 0 82 -2,-0.1 3,-2.9 -3,-0.1 4,-0.5 0.265 39.5 148.1-103.7 8.6 12.1 15.4 9.4 64 95 A E T 3 S+ 0 0 127 1,-0.3 179,-0.1 2,-0.1 -2,-0.1 -0.210 74.1 5.3 -47.3 120.8 12.9 18.1 12.0 65 96 A G T 3> S+ 0 0 16 178,-0.0 4,-1.1 1,-0.0 -1,-0.3 0.267 96.0 112.7 87.4 -11.6 13.7 16.3 15.2 66 97 A M H <> S+ 0 0 1 -3,-2.9 4,-0.7 1,-0.2 3,-0.4 0.905 73.5 53.2 -64.6 -40.8 13.7 12.7 13.9 67 98 A D H 4 S+ 0 0 126 -4,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.834 117.3 39.0 -63.9 -29.0 17.4 12.0 14.2 68 99 A A H 4 S+ 0 0 54 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.570 94.8 87.7 -93.3 -10.5 17.2 13.1 17.9 69 100 A L H < - 0 0 2 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.1 0.897 67.4-166.9 -56.9 -47.5 13.8 11.4 18.5 70 101 A H < + 0 0 48 -4,-0.7 147,-2.1 1,-0.2 2,-0.3 0.937 34.7 127.4 58.8 55.4 15.3 8.0 19.4 71 102 A I E - g 0 217B 2 -5,-0.2 -29,-2.5 145,-0.2 2,-0.3 -0.936 30.7-179.5-134.9 160.3 12.2 5.7 19.2 72 103 A S E -Fg 41 218B 0 145,-2.2 147,-2.9 -2,-0.3 2,-0.3 -0.928 7.7-157.5-149.3 168.2 11.2 2.5 17.4 73 104 A G E +Fg 40 219B 0 -33,-2.1 -33,-1.8 -2,-0.3 2,-0.3 -0.969 16.7 153.0-149.1 159.0 8.2 0.2 17.2 74 105 A S E - g 0 220B 0 145,-0.9 147,-1.1 -2,-0.3 150,-0.2 -0.976 40.2 -87.4-171.6 174.5 7.4 -3.4 16.4 75 106 A S - 0 0 3 -38,-2.3 148,-0.3 148,-0.3 147,-0.2 -0.135 66.4 -66.0 -78.4-174.8 5.0 -6.3 16.8 76 107 A A - 0 0 2 146,-2.4 -39,-0.4 -48,-0.3 2,-0.3 -0.274 62.4-159.6 -71.1 164.2 5.4 -8.8 19.6 77 108 A F - 0 0 0 -41,-0.1 -48,-0.1 -3,-0.1 -49,-0.1 -0.950 21.8-110.9-148.4 161.7 8.5 -11.0 19.5 78 109 A T > - 0 0 19 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.450 47.7-103.6 -83.2 166.7 10.2 -14.1 20.6 79 110 A P H > S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.930 123.7 53.3 -59.7 -41.3 13.1 -13.7 23.0 80 111 A A H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.886 108.6 50.0 -61.5 -39.4 15.7 -14.3 20.2 81 112 A Q H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 108.0 52.8 -66.5 -38.6 14.0 -11.5 18.1 82 113 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.917 106.9 52.4 -64.5 -39.2 14.1 -9.1 21.0 83 114 A K H X S+ 0 0 127 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.903 109.5 50.0 -61.2 -40.4 17.9 -9.8 21.4 84 115 A N H X S+ 0 0 72 -4,-1.8 4,-1.9 -50,-0.2 -1,-0.2 0.881 111.5 48.3 -63.3 -39.1 18.2 -9.0 17.7 85 116 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.938 111.5 49.8 -66.2 -45.3 16.3 -5.7 18.1 86 117 A A H X S+ 0 0 9 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.922 110.3 49.4 -62.3 -41.4 18.3 -4.7 21.2 87 118 A A H X S+ 0 0 61 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.916 112.5 49.7 -62.4 -40.5 21.6 -5.4 19.3 88 119 A K H >< S+ 0 0 100 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.944 111.4 46.7 -63.4 -49.8 20.3 -3.3 16.4 89 120 A L H >X S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 4,-0.6 0.842 102.7 64.0 -64.0 -32.3 19.2 -0.4 18.6 90 121 A R H 3< S+ 0 0 110 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.776 93.7 62.5 -64.8 -22.7 22.6 -0.4 20.6 91 122 A E T << S+ 0 0 172 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.735 107.1 46.7 -72.1 -16.1 24.3 0.6 17.3 92 123 A K T <4 S+ 0 0 97 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 0.529 119.2 18.8-103.1 -7.5 22.2 3.8 17.4 93 124 A T < - 0 0 21 -4,-0.6 -1,-0.2 -3,-0.5 4,-0.1 -0.997 43.3-151.8-160.6 159.6 22.7 4.9 20.9 94 125 A A S S+ 0 0 95 -2,-0.3 3,-0.1 120,-0.1 121,-0.1 0.184 75.4 95.2-116.5 9.7 24.7 4.7 24.1 95 126 A G S S- 0 0 4 119,-0.4 120,-0.2 1,-0.2 2,-0.1 -0.337 92.2 -69.2 -93.4 177.2 21.8 5.5 26.3 96 127 A P - 0 0 21 0, 0.0 120,-2.7 0, 0.0 2,-0.5 -0.473 47.0-142.3 -68.7 140.2 19.4 3.1 28.2 97 128 A I E -h 216 0B 5 85,-0.4 87,-2.8 118,-0.2 2,-0.4 -0.904 15.5-154.0-104.4 122.9 17.1 1.2 25.8 98 129 A Y E -hi 217 184B 25 118,-3.1 120,-3.0 -2,-0.5 2,-1.0 -0.828 15.5-148.1-104.1 134.6 13.5 0.6 27.0 99 130 A D E -hi 218 185B 0 85,-3.7 87,-2.3 -2,-0.4 2,-1.0 -0.853 21.5-163.1 -90.4 104.6 11.2 -2.1 26.0 100 131 A V E -hi 219 186B 0 118,-3.2 120,-1.8 -2,-1.0 2,-0.7 -0.812 3.7-161.0 -97.1 99.6 7.9 -0.2 26.3 101 132 A D E -hi 220 187B 0 85,-1.7 87,-2.9 -2,-1.0 120,-0.2 -0.722 12.8-178.8 -83.4 109.5 5.2 -3.0 26.4 102 133 A L E + 0 0 0 118,-2.7 88,-1.0 -2,-0.7 2,-0.6 0.241 38.8 121.9 -97.6 17.6 1.9 -1.4 25.5 103 134 A R E - i 0 190B 2 86,-0.2 88,-0.2 117,-0.2 4,-0.1 -0.694 36.4-179.3 -92.5 117.0 -0.2 -4.6 25.9 104 135 A Q + 0 0 13 86,-2.1 -1,-0.2 -2,-0.6 87,-0.2 0.848 64.1 92.8 -75.1 -33.1 -3.2 -4.8 28.4 105 136 A E S S- 0 0 2 85,-0.4 2,-0.3 17,-0.1 13,-0.1 -0.277 92.8-103.4 -61.3 146.0 -3.8 -8.4 27.4 106 137 A S + 0 0 1 11,-0.4 11,-2.9 10,-0.0 2,-0.3 -0.565 58.2 155.9 -71.0 128.7 -2.0 -10.9 29.6 107 138 A H E +C 116 0A 1 -2,-0.3 67,-0.4 9,-0.3 2,-0.3 -0.947 8.0 133.0-150.2 166.4 1.0 -12.3 27.8 108 139 A G E -C 115 0A 1 7,-2.3 7,-2.4 -2,-0.3 2,-0.4 -0.907 51.1 -64.8 179.9-150.0 4.4 -13.9 28.5 109 140 A Y E -CD 114 172A 5 63,-2.5 63,-2.5 -2,-0.3 2,-0.6 -0.994 27.7-168.9-137.4 125.3 6.6 -16.8 27.4 110 141 A L E > S-CD 113 171A 0 3,-2.1 3,-2.1 -2,-0.4 61,-0.2 -0.964 88.2 -17.3-113.1 115.2 5.9 -20.5 27.8 111 142 A D T 3 S- 0 0 36 59,-3.3 -1,-0.2 -2,-0.6 60,-0.1 0.917 130.7 -54.8 53.2 40.2 9.1 -22.5 27.0 112 143 A G T 3 S+ 0 0 24 58,-0.2 -1,-0.3 1,-0.2 -32,-0.2 0.408 109.8 128.0 77.4 -4.2 10.3 -19.3 25.2 113 144 A I E < - 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0 0 46 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.202 20.9-118.2 -63.6 154.1 -19.8 -69.2 16.2 561 276 B L H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.940 116.1 52.9 -55.7 -45.9 -17.1 -66.6 16.8 562 277 B K H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 108.9 48.0 -58.5 -43.5 -17.0 -65.9 13.1 563 278 B D H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.931 111.5 49.8 -65.2 -43.3 -20.8 -65.3 12.9 564 279 B I H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.955 114.7 44.8 -58.3 -49.2 -20.8 -63.0 15.9 565 280 B L H X S+ 0 0 8 -4,-2.7 4,-1.3 -5,-0.2 11,-0.3 0.910 115.9 45.5 -64.1 -45.1 -17.9 -60.9 14.4 566 281 B Y H X S+ 0 0 15 -4,-2.6 4,-3.4 -5,-0.2 -1,-0.2 0.933 114.6 47.5 -63.5 -48.5 -19.3 -60.8 10.9 567 282 B R H X S+ 0 0 0 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.869 110.8 49.6 -66.8 -34.4 -22.8 -59.9 12.0 568 283 B Q H <>S+ 0 0 0 -4,-2.2 5,-1.4 -5,-0.3 -1,-0.2 0.828 116.2 44.6 -72.8 -29.0 -21.8 -57.1 14.4 569 284 B H H ><5S+ 0 0 6 -4,-1.3 3,-1.7 -5,-0.2 4,-0.4 0.926 111.2 53.6 -75.0 -46.2 -19.7 -55.7 11.7 570 285 B E H 3<5S+ 0 0 12 -4,-3.4 -207,-2.9 1,-0.3 -2,-0.2 0.621 101.9 56.3 -68.8 -13.9 -22.3 -56.1 9.0 571 286 B I T 3<5S- 0 0 12 -4,-1.1 -1,-0.3 -209,-0.2 -214,-0.1 0.506 137.9 -74.8 -89.9 -3.4 -25.1 -54.2 10.9 572 287 B G T < 5S+ 0 0 39 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.568 94.6 111.9 126.8 13.9 -22.7 -51.2 11.1 573 288 B G S - 0 0 139 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.457 48.3-105.5 -70.3 154.8 -1.2 -43.8 8.1 585 300 B D G > S+ 0 0 153 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.877 122.9 56.6 -52.4 -40.4 2.3 -43.1 9.4 586 301 B K G 3 S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.700 109.5 47.3 -66.3 -16.9 0.8 -40.6 11.9 587 302 B D G X S+ 0 0 35 -3,-2.0 3,-1.8 1,-0.1 4,-0.4 0.183 74.2 113.2-108.5 17.8 -1.5 -43.4 13.2 588 303 B S G X + 0 0 77 -3,-1.6 3,-1.1 1,-0.3 4,-0.4 0.743 64.5 71.3 -63.4 -24.2 1.2 -46.1 13.6 589 304 B W G 3 S+ 0 0 49 -3,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.759 91.5 62.5 -62.2 -22.6 0.9 -46.1 17.4 590 305 B K G X> S+ 0 0 42 -3,-1.8 4,-2.1 1,-0.2 3,-0.7 0.765 80.4 84.7 -73.9 -24.3 -2.5 -47.7 16.9 591 306 B T H <> S+ 0 0 37 -3,-1.1 4,-2.2 -4,-0.4 -1,-0.2 0.872 90.8 42.5 -48.1 -54.6 -1.2 -50.9 15.3 592 307 B K H 3> S+ 0 0 77 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.3 0.784 111.2 56.7 -68.3 -24.3 -0.4 -52.9 18.3 593 308 B Y H <> S+ 0 0 3 -3,-0.7 4,-2.1 -4,-0.4 -1,-0.2 0.851 107.9 48.4 -74.5 -37.1 -3.7 -51.9 20.1 594 309 B Y H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 113.0 47.6 -59.5 -53.4 -5.6 -53.2 17.1 595 310 B R H X S+ 0 0 134 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.904 110.4 53.0 -57.0 -40.3 -3.6 -56.5 17.3 596 311 B E H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.920 107.3 51.6 -62.4 -41.6 -4.2 -56.6 21.0 597 312 B K H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.906 105.8 54.2 -64.3 -38.1 -8.0 -56.2 20.5 598 313 B I H X S+ 0 0 5 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.938 112.5 44.0 -59.6 -44.8 -8.1 -59.1 18.0 599 314 B V H X S+ 0 0 21 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.902 114.6 48.4 -67.4 -40.1 -6.4 -61.4 20.5 600 315 B M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.861 104.6 58.8 -71.6 -34.5 -8.6 -60.3 23.5 601 316 B I H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.911 109.3 46.1 -57.9 -42.3 -11.8 -60.7 21.5 602 317 B E H X S+ 0 0 58 -4,-1.3 4,-2.1 -5,-0.2 -2,-0.2 0.895 111.8 51.4 -67.7 -39.5 -10.8 -64.4 21.1 603 318 B Q H X S+ 0 0 17 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.859 108.4 50.2 -67.2 -35.9 -9.9 -64.6 24.7 604 319 B F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.912 108.8 52.6 -69.0 -40.2 -13.3 -63.2 25.9 605 320 B Y H X S+ 0 0 51 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.922 109.6 49.7 -58.4 -43.1 -15.1 -65.7 23.6 606 321 B R H X S+ 0 0 111 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.911 108.5 52.9 -62.7 -42.1 -13.1 -68.4 25.3 607 322 B Y H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.935 111.0 46.6 -57.6 -47.4 -14.0 -67.1 28.8 608 323 B V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.943 113.0 48.7 -61.5 -47.8 -17.7 -67.2 27.8 609 324 B Q H < S+ 0 0 57 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.892 116.6 42.3 -62.0 -38.6 -17.5 -70.7 26.4 610 325 B E H < S+ 0 0 113 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.683 123.4 33.4 -83.6 -16.5 -15.6 -72.0 29.5 611 326 B N H <>S+ 0 0 13 -4,-1.7 5,-2.6 -3,-0.3 6,-0.3 0.440 91.9 83.7-119.3 -3.4 -17.6 -70.3 32.2 612 327 B R T ><5S+ 0 0 102 -4,-1.7 3,-1.9 -5,-0.2 -3,-0.1 0.921 83.5 63.9 -70.7 -34.8 -21.2 -70.0 31.1 613 328 B A T 3 5S+ 0 0 104 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.847 107.3 40.7 -57.7 -36.1 -22.1 -73.6 32.2 614 329 B D T 3 5S- 0 0 83 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.348 121.2-103.5 -95.6 11.0 -21.5 -72.9 35.9 615 330 B G T < 5 - 0 0 44 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.793 65.9 -67.1 77.9 27.7 -23.1 -69.4 35.7 616 331 B Y < + 0 0 35 -5,-2.6 -1,-0.2 -8,-0.1 -4,-0.1 0.931 69.1 169.1 57.7 53.2 -19.9 -67.4 35.8 617 332 B Q S S+ 0 0 143 -6,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.760 70.9 49.5 -63.0 -29.8 -18.8 -68.3 39.3 618 333 B T S S- 0 0 55 -7,-0.1 -1,-0.1 4,-0.0 -3,-0.0 -0.957 90.8-125.5-116.1 131.0 -15.4 -66.7 38.5 619 334 B P > - 0 0 58 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.247 23.8-107.2 -74.8 160.7 -15.1 -63.3 36.9 620 335 B W H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 115.4 55.6 -49.8 -49.8 -13.3 -62.3 33.8 621 336 B S H > S+ 0 0 21 -107,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.901 112.4 43.7 -55.6 -41.5 -10.4 -60.5 35.5 622 337 B V H > S+ 0 0 70 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.938 114.5 46.8 -69.1 -49.0 -9.6 -63.6 37.6 623 338 B W H X S+ 0 0 12 -4,-2.4 4,-1.2 1,-0.2 3,-0.2 0.906 111.1 53.9 -61.7 -39.2 -9.9 -66.1 34.8 624 339 B L H < S+ 0 0 14 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.854 103.5 56.1 -66.2 -33.3 -7.8 -63.9 32.5 625 340 B K H < S+ 0 0 159 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.877 115.1 37.2 -67.3 -33.6 -5.0 -63.8 35.1 626 341 B S H < S+ 0 0 78 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.559 125.2 41.7 -93.4 -7.7 -4.8 -67.6 35.1 627 342 B H S < S- 0 0 74 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.522 85.6-170.9-132.7 63.6 -5.4 -67.9 31.4 628 343 B P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.230 21.6-119.1 -60.2 145.0 -3.3 -65.0 29.9 629 344 B A - 0 0 9 -305,-0.4 -305,-0.5 -5,-0.1 2,-0.4 -0.479 24.7-139.9 -80.9 154.0 -3.7 -64.2 26.3 630 345 B K 0 0 174 -2,-0.1 -1,-0.0 -31,-0.1 0, 0.0 -0.912 360.0 360.0-117.4 147.1 -0.7 -64.5 24.0 631 346 B A 0 0 130 -2,-0.4 -35,-0.1 -32,-0.0 -307,-0.0 -0.410 360.0 360.0 -65.4 360.0 0.3 -62.1 21.2