==== 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 OXIDOREDUCTASE 16-SEP-09 3JV7 . COMPND 2 MOLECULE: ADH-A; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS RUBER; . AUTHOR M.KARABEC,A.LYSKOWSKI,K.GRUBER . 1380 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 968 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 11.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 . 130 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.3 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 12 0 0 1 6 9 8 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 8 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 . 6 8 10 8 0 0 0 4 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 4 0 0 4 0 0 0 0 2 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 M 0 0 28 0, 0.0 17,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.5 67.6 28.7 106.5 2 2 A K E +A 17 0A 69 15,-0.2 125,-1.8 13,-0.0 126,-0.3 -0.661 360.0 159.3 -91.3 146.2 69.3 28.9 103.1 3 3 A A E -AB 16 126A 0 13,-1.8 13,-3.2 -2,-0.3 2,-0.5 -0.987 39.0-121.0-161.2 157.2 67.3 28.2 99.9 4 4 A V E +A 15 0A 0 121,-2.6 56,-1.7 -2,-0.3 2,-0.3 -0.935 39.3 178.8-107.6 125.0 67.3 28.8 96.1 5 5 A Q E -AC 14 59A 19 9,-2.4 9,-2.6 -2,-0.5 2,-0.6 -0.935 36.1-133.0-130.2 147.3 64.3 30.7 94.9 6 6 A Y E + C 0 58A 0 52,-2.5 52,-2.1 -2,-0.3 3,-0.1 -0.896 37.6 167.7 -89.4 119.9 62.8 32.0 91.6 7 7 A T + 0 0 49 -2,-0.6 2,-0.3 5,-0.4 -1,-0.1 0.696 51.7 25.4-116.2 -25.6 61.9 35.5 92.7 8 8 A E S > S- 0 0 116 4,-0.2 3,-2.2 48,-0.0 -1,-0.3 -0.994 86.0 -94.4-147.7 140.1 61.1 37.6 89.7 9 9 A I T 3 S+ 0 0 60 -2,-0.3 3,-0.1 1,-0.3 37,-0.1 -0.202 108.1 10.0 -53.8 130.3 59.9 36.8 86.2 10 10 A G T 3 S+ 0 0 66 35,-0.6 -1,-0.3 1,-0.3 2,-0.1 0.335 105.7 111.3 85.0 -6.9 62.7 36.5 83.6 11 11 A S S < S- 0 0 39 -3,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.402 71.3-100.5 -94.2 172.0 65.4 36.5 86.2 12 12 A E - 0 0 97 -2,-0.1 -5,-0.4 1,-0.1 -4,-0.2 -0.554 46.2 -92.6 -84.8 156.9 67.8 33.9 87.4 13 13 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.308 45.7-152.4 -62.0 154.2 67.2 31.9 90.7 14 14 A V E -A 5 0A 60 -9,-2.6 -9,-2.4 -3,-0.1 2,-0.6 -0.959 18.6-112.9-133.0 153.0 68.9 33.4 93.8 15 15 A V E +A 4 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.737 47.5 175.9 -81.6 120.6 70.2 32.2 97.1 16 16 A V E -A 3 0A 32 -13,-3.2 -13,-1.8 -2,-0.6 2,-0.5 -0.788 33.3-127.4-122.5 164.8 68.0 33.6 99.9 17 17 A D E +A 2 0A 135 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.972 40.1 158.6-112.1 117.7 67.6 33.3 103.6 18 18 A I - 0 0 38 -17,-2.2 -2,-0.0 -2,-0.5 2,-0.0 -0.891 46.5 -77.2-133.7 162.2 64.0 32.5 104.7 19 19 A P - 0 0 108 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 -0.308 43.9-111.1 -65.4 140.2 62.6 31.0 107.9 20 20 A T - 0 0 67 1,-0.1 109,-0.0 107,-0.0 2,-0.0 -0.585 47.5-117.8 -62.4 127.0 62.9 27.3 108.5 21 21 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 108,-0.1 -0.293 15.7-132.9 -75.3 157.2 59.3 26.1 108.2 22 22 A T - 0 0 114 -3,-0.0 2,-0.4 108,-0.0 6,-0.1 -0.918 23.7-118.7-109.0 132.7 57.2 24.5 111.0 23 23 A P - 0 0 15 0, 0.0 50,-0.3 0, 0.0 3,-0.1 -0.564 28.6-156.9 -72.8 124.7 55.2 21.4 110.2 24 24 A G > - 0 0 24 -2,-0.4 3,-1.6 1,-0.2 2,-0.1 -0.148 48.7 -44.2 -81.4-172.1 51.5 21.9 110.7 25 25 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 49,-0.1 -0.341 132.3 5.9 -57.5 128.7 49.0 19.0 111.4 26 26 A G T 3 S+ 0 0 30 47,-1.6 108,-0.3 1,-0.3 50,-0.1 0.195 106.8 118.6 83.2 -17.3 49.7 16.0 109.1 27 27 A E < - 0 0 61 -3,-1.6 45,-2.6 106,-0.1 2,-0.4 -0.371 50.2-150.8 -83.6 161.3 52.8 17.7 107.7 28 28 A I E -DE 71 131B 0 103,-2.4 103,-2.6 43,-0.2 2,-0.5 -0.990 6.2-143.7-130.7 140.2 56.4 16.4 108.0 29 29 A L E -DE 70 130B 3 41,-2.9 40,-3.3 -2,-0.4 41,-1.7 -0.910 19.1-164.1-103.9 125.5 59.6 18.5 108.0 30 30 A L E -DE 68 129B 0 99,-2.9 99,-2.0 -2,-0.5 2,-0.8 -0.872 22.0-136.4-106.7 142.6 62.6 17.0 106.2 31 31 A K E -DE 67 128B 89 36,-2.9 36,-2.1 -2,-0.4 97,-0.2 -0.882 40.4-124.9 -86.1 116.8 66.2 17.9 106.5 32 32 A V E +D 66 0B 2 95,-2.1 34,-0.3 -2,-0.8 3,-0.1 -0.466 36.2 174.3 -72.0 131.8 67.0 17.9 102.8 33 33 A T E S+ 0 0 33 32,-2.5 2,-0.3 1,-0.4 33,-0.2 0.573 71.0 8.2-110.0 -18.9 69.9 15.6 101.9 34 34 A A E -D 65 0B 0 31,-1.7 31,-2.1 310,-0.1 2,-0.4 -0.886 55.9-169.7-163.5 135.4 69.7 16.0 98.1 35 35 A A E -DF 64 343B 0 308,-2.6 308,-3.4 -2,-0.3 2,-0.2 -0.986 19.0-143.1-128.5 122.2 67.7 18.1 95.6 36 36 A G E -DF 63 342B 0 27,-1.9 27,-0.7 -2,-0.4 2,-0.5 -0.589 7.8-134.6 -86.8 142.3 67.7 17.4 91.9 37 37 A L - 0 0 0 304,-2.7 304,-0.4 -2,-0.2 2,-0.4 -0.830 24.1-166.1 -90.1 132.2 67.7 20.0 89.1 38 38 A C >> - 0 0 4 -2,-0.5 3,-2.0 302,-0.1 4,-0.5 -0.917 30.6-126.6-119.5 145.6 65.2 19.2 86.3 39 39 A H H >> S+ 0 0 110 -2,-0.4 4,-1.6 1,-0.3 3,-0.6 0.739 107.9 72.8 -62.4 -19.5 65.0 20.8 82.9 40 40 A S H 3> S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.821 86.8 65.3 -62.6 -25.7 61.3 21.6 83.6 41 41 A D H <> S+ 0 0 0 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.877 100.9 48.6 -61.2 -38.5 62.7 24.2 86.0 42 42 A I H < S+ 0 0 7 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.942 112.9 46.6 -58.4 -47.0 59.0 27.2 84.2 45 45 A M H 3< S+ 0 0 4 -4,-2.4 -35,-0.6 1,-0.3 -1,-0.2 0.754 109.0 57.0 -70.7 -19.4 61.5 30.1 84.6 46 46 A D H 3< S+ 0 0 94 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.540 81.9 114.2 -86.6 -7.5 61.2 30.8 80.9 47 47 A M S << S- 0 0 18 -3,-1.3 -37,-0.3 -4,-0.7 2,-0.1 -0.333 73.4-109.7 -63.5 145.2 57.4 31.3 81.0 48 48 A P >> - 0 0 76 0, 0.0 4,-2.3 0, 0.0 3,-2.1 -0.392 32.0-107.5 -67.2 152.2 56.0 34.8 80.3 49 49 A A T 34 S+ 0 0 70 1,-0.3 -2,-0.1 2,-0.2 -40,-0.0 0.838 119.6 58.4 -50.7 -35.9 54.6 36.6 83.2 50 50 A A T 34 S+ 0 0 108 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.664 114.0 36.0 -72.0 -17.2 51.1 36.0 81.8 51 51 A Q T <4 S+ 0 0 86 -3,-2.1 -2,-0.2 2,-0.0 -1,-0.2 0.768 89.0 100.3-104.6 -36.0 51.5 32.2 81.8 52 52 A Y < + 0 0 23 -4,-2.3 3,-0.1 1,-0.1 -43,-0.0 -0.339 38.9 166.1 -59.2 126.0 53.6 31.6 85.0 53 53 A A + 0 0 85 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.212 45.6 94.2-130.4 12.6 51.2 30.5 87.7 54 54 A Y S S- 0 0 80 1,-0.1 66,-0.2 -10,-0.1 -1,-0.1 0.370 86.0-121.6 -96.3 4.7 53.3 29.0 90.5 55 55 A G - 0 0 39 -3,-0.1 -1,-0.1 1,-0.1 65,-0.1 0.287 34.7 -63.4 73.6 158.3 53.5 32.3 92.5 56 56 A L S S+ 0 0 76 -3,-0.1 2,-0.2 1,-0.0 -49,-0.1 -0.998 108.2 33.1-135.1 135.8 56.6 34.3 93.6 57 57 A P S S- 0 0 83 0, 0.0 2,-0.4 0, 0.0 -50,-0.2 0.536 77.7-176.7 -77.3 165.1 58.8 33.7 95.4 58 58 A L E -C 6 0A 5 -52,-2.1 -52,-2.5 -2,-0.2 2,-0.6 -0.946 24.2-141.0-133.6 113.8 59.2 30.0 94.6 59 59 A T E -C 5 0A 5 -2,-0.4 64,-1.9 -54,-0.2 59,-0.3 -0.612 33.5-139.6 -67.3 115.9 61.7 27.6 96.3 60 60 A L + 0 0 0 -56,-1.7 65,-2.5 -2,-0.6 -56,-0.2 -0.167 54.8 91.2 -74.0 169.6 62.8 25.5 93.4 61 61 A G + 0 0 0 57,-0.4 63,-2.3 62,-0.2 58,-0.1 0.683 26.2 176.5 109.2 98.3 63.3 21.7 93.5 62 62 A H S S+ 0 0 11 -26,-0.4 2,-0.6 56,-0.2 26,-0.1 0.337 72.3 76.7-110.8 5.3 60.8 19.0 92.8 63 63 A E E +D 36 0B 0 -27,-0.7 -27,-1.9 90,-0.1 2,-0.4 -0.959 69.5 165.5-108.2 109.8 63.3 16.2 93.1 64 64 A G E +D 35 0B 1 -2,-0.6 22,-2.6 22,-0.4 2,-0.3 -0.982 22.3 168.4-137.1 136.1 63.8 15.7 96.9 65 65 A V E +DG 34 85B 1 -31,-2.1 -32,-2.5 -2,-0.4 -31,-1.7 -0.984 23.3 134.8-133.9 146.5 65.2 13.3 99.3 66 66 A G E -DG 32 84B 0 18,-2.4 18,-2.7 -2,-0.3 2,-0.4 -0.889 49.4 -86.5-163.3-166.2 65.9 13.9 103.0 67 67 A T E -DG 31 83B 45 -36,-2.1 -36,-2.9 -2,-0.3 2,-0.3 -0.965 48.6-101.4-120.2 141.9 65.7 12.6 106.5 68 68 A V E +D 30 0B 2 14,-2.4 13,-3.1 -2,-0.4 -38,-0.2 -0.463 44.8 169.6 -64.8 121.6 62.6 13.1 108.7 69 69 A A E + 0 0 31 -40,-3.3 2,-0.3 1,-0.3 -39,-0.2 0.818 61.1 9.9-100.6 -44.0 63.4 16.0 111.0 70 70 A E E -D 29 0B 97 -41,-1.7 -41,-2.9 9,-0.1 2,-0.5 -1.000 62.1-140.4-143.6 138.8 60.0 16.9 112.7 71 71 A L E -D 28 0B 65 -2,-0.3 -43,-0.2 -43,-0.2 3,-0.1 -0.858 19.9-135.5 -99.2 130.6 56.6 15.3 112.7 72 72 A G > - 0 0 6 -45,-2.6 3,-2.0 -2,-0.5 -48,-0.1 -0.264 53.6 -56.8 -69.5 168.0 53.5 17.5 112.5 73 73 A E T 3 S- 0 0 133 -50,-0.3 -47,-1.6 1,-0.3 -1,-0.2 -0.210 122.0 -1.7 -52.6 128.5 50.6 16.8 114.9 74 74 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 -49,-0.1 2,-0.2 0.493 86.1 152.8 73.3 4.8 49.3 13.3 114.6 75 75 A V < + 0 0 19 -3,-2.0 2,-0.3 -48,-0.2 -1,-0.2 -0.484 18.3 178.1 -68.0 136.8 51.6 12.1 111.9 76 76 A T + 0 0 113 -2,-0.2 3,-0.1 -50,-0.1 58,-0.1 -0.927 47.1 55.7-134.1 158.9 52.2 8.4 112.0 77 77 A G S S+ 0 0 70 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.301 97.0 63.8 104.1 -8.8 54.2 5.9 109.8 78 78 A F - 0 0 30 -3,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.996 62.3-151.3-144.9 145.8 57.6 7.6 110.0 79 79 A G > - 0 0 31 -2,-0.3 3,-2.1 -3,-0.1 -11,-0.3 -0.803 39.8 -83.5-111.8 159.7 60.1 8.4 112.8 80 80 A V T 3 S+ 0 0 107 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.364 117.8 30.9 -56.2 134.6 62.6 11.2 113.1 81 81 A G T 3 S+ 0 0 49 -13,-3.1 -1,-0.3 1,-0.3 2,-0.1 0.132 82.5 141.0 100.6 -19.2 65.8 10.2 111.2 82 82 A D < - 0 0 67 -3,-2.1 -14,-2.4 -15,-0.1 2,-0.5 -0.368 50.9-129.8 -62.6 130.9 64.0 8.1 108.6 83 83 A A E +G 67 0B 30 -16,-0.2 57,-1.9 -2,-0.1 58,-0.7 -0.691 40.0 169.7 -82.0 127.0 65.5 8.5 105.1 84 84 A V E -GH 66 139B 0 -18,-2.7 -18,-2.4 -2,-0.5 2,-0.3 -0.944 33.2-138.3-141.5 155.3 62.8 9.2 102.5 85 85 A A E -GH 65 138B 2 53,-2.8 53,-2.2 -2,-0.3 2,-0.6 -0.854 30.9-120.4-108.2 149.2 62.1 10.3 99.0 86 86 A V E - H 0 137B 5 -22,-2.6 2,-0.6 -2,-0.3 -22,-0.4 -0.820 11.4-141.6 -97.3 121.0 59.3 12.8 98.2 87 87 A Y - 0 0 1 49,-2.3 3,-0.1 -2,-0.6 66,-0.1 -0.710 23.9-163.2 -76.1 121.3 56.5 11.8 95.9 88 88 A G + 0 0 1 -2,-0.6 2,-2.5 64,-0.4 -1,-0.1 0.875 63.4 72.4 -85.2 -46.3 56.0 14.9 93.9 89 89 A P S S- 0 0 2 0, 0.0 17,-0.2 0, 0.0 -1,-0.2 -0.381 73.4-160.3 -78.4 71.9 52.7 15.1 92.0 90 90 A W - 0 0 20 -2,-2.5 2,-0.2 -3,-0.1 24,-0.1 -0.191 11.9-175.7 -55.8 136.9 50.5 15.6 95.1 91 91 A G - 0 0 1 7,-0.1 12,-0.1 24,-0.0 13,-0.1 -0.613 42.1 -93.7-124.5-176.5 46.8 14.8 94.6 92 92 A C - 0 0 31 -2,-0.2 -2,-0.1 11,-0.1 11,-0.0 0.815 45.8-140.1 -74.2 -25.4 43.6 15.1 96.6 93 93 A G S S+ 0 0 12 10,-0.0 -1,-0.1 1,-0.0 8,-0.1 0.358 85.6 69.0 86.2 -4.8 43.9 11.5 97.8 94 94 A A S S+ 0 0 60 4,-0.0 -1,-0.0 5,-0.0 2,-0.0 0.598 70.5 93.8-123.1 -18.9 40.2 10.8 97.5 95 95 A C S > S- 0 0 17 1,-0.1 4,-3.0 8,-0.0 5,-0.2 -0.231 88.6 -98.4 -74.9 169.0 39.2 10.8 93.8 96 96 A H H > S+ 0 0 70 1,-0.2 4,-0.6 2,-0.2 6,-0.2 0.892 125.4 47.2 -53.3 -46.0 39.0 7.6 91.7 97 97 A A H >4>S+ 0 0 9 1,-0.2 5,-1.8 2,-0.2 3,-1.3 0.949 114.1 46.0 -60.8 -50.7 42.5 8.3 90.2 98 98 A C H >45S+ 0 0 2 1,-0.3 3,-3.0 3,-0.2 5,-0.2 0.886 102.4 65.0 -62.2 -37.2 44.0 9.0 93.6 99 99 A A H 3<5S+ 0 0 0 -4,-3.0 892,-0.3 1,-0.3 -1,-0.3 0.718 103.5 48.6 -60.6 -19.3 42.3 5.9 95.1 100 100 A R T <<5S- 0 0 77 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.254 123.8-107.5 -99.5 11.1 44.5 3.9 92.7 101 101 A G T < 5S+ 0 0 0 -3,-3.0 197,-2.2 1,-0.1 2,-1.9 0.408 84.6 128.3 79.0 -0.9 47.6 5.9 93.8 102 102 A R > < + 0 0 51 -5,-1.8 3,-1.9 1,-0.2 -1,-0.1 -0.385 18.8 151.6 -83.4 58.3 47.6 7.7 90.4 103 103 A E G > + 0 0 4 -2,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.726 62.0 70.9 -67.7 -20.5 47.8 11.1 92.1 104 104 A N G 3 S+ 0 0 7 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.774 103.7 43.6 -63.3 -24.6 49.6 12.4 89.0 105 105 A Y G < S+ 0 0 2 -3,-1.9 -1,-0.3 -8,-0.1 -2,-0.2 0.096 83.3 150.5-108.5 21.4 46.2 12.1 87.2 106 106 A C < - 0 0 16 -3,-1.6 4,-0.3 -17,-0.2 -3,-0.1 -0.269 36.3-156.3 -53.0 133.3 44.2 13.5 90.1 107 107 A T S S+ 0 0 44 1,-0.1 4,-0.3 2,-0.1 -1,-0.1 0.508 88.0 47.0 -94.5 -4.1 41.0 15.2 88.8 108 108 A R S > S+ 0 0 105 2,-0.1 4,-2.3 3,-0.1 5,-0.2 0.622 84.4 86.8-108.6 -18.8 40.6 17.5 91.8 109 109 A A H >>S+ 0 0 15 1,-0.2 5,-2.5 2,-0.2 4,-0.7 0.872 90.0 49.7 -58.3 -43.4 44.1 18.9 92.4 110 110 A A H >45S+ 0 0 92 -4,-0.3 3,-1.8 1,-0.2 -1,-0.2 0.986 113.2 46.0 -56.3 -57.3 43.7 21.8 90.0 111 111 A D H 345S+ 0 0 123 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.820 116.8 45.8 -55.1 -34.9 40.3 22.9 91.5 112 112 A L H 3<5S- 0 0 88 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.445 108.9-120.4 -91.6 -0.9 41.8 22.5 95.0 113 113 A G T <<5 + 0 0 56 -3,-1.8 2,-0.8 -4,-0.7 -3,-0.2 0.885 53.5 160.9 61.5 39.3 45.0 24.4 94.3 114 114 A I < + 0 0 49 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.841 14.9 177.3 -94.4 110.1 47.1 21.3 95.3 115 115 A T - 0 0 41 -2,-0.8 5,-0.2 -3,-0.1 3,-0.1 -0.790 28.7-104.8-118.6 155.8 50.5 21.9 93.7 116 116 A P > > - 0 0 13 0, 0.0 3,-2.2 0, 0.0 5,-2.2 -0.436 43.7 -93.6 -74.6 149.8 53.9 20.0 93.8 117 117 A P B 3 5S+j 121 0C 3 0, 0.0 6,-0.3 0, 0.0 7,-0.1 -0.426 117.2 17.7 -56.8 132.8 56.9 21.0 95.9 118 118 A G T 3 5S+ 0 0 0 3,-2.7 -57,-0.4 -59,-0.3 -56,-0.2 0.304 121.9 67.1 85.9 -9.0 59.1 23.1 93.6 119 119 A L T < 5S- 0 0 14 -3,-2.2 -59,-0.1 2,-0.2 -57,-0.0 -0.229 133.7 -28.5-137.4 43.9 56.2 23.7 91.2 120 120 A G T 5S+ 0 0 26 1,-0.7 -5,-0.1 -61,-0.2 -61,-0.0 -0.036 130.2 64.8 134.3 -30.4 53.7 25.8 93.2 121 121 A S B - 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0 0 0 -144,-0.1 -192,-0.3 -136,-0.1 2,-0.1 -0.969 32.5 -85.7-164.2 179.8 54.2 9.0 87.8 297 297 A T > - 0 0 4 -2,-0.3 4,-1.9 -141,-0.2 -195,-0.2 -0.375 37.8-108.3 -94.8 170.0 52.2 7.1 90.3 298 298 A R H > S+ 0 0 15 -197,-2.2 4,-1.8 493,-0.2 5,-0.1 0.936 118.6 45.8 -61.2 -50.0 52.9 6.2 94.0 299 299 A S H > S+ 0 0 10 492,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.839 109.6 56.7 -65.6 -33.6 53.5 2.5 93.4 300 300 A E H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 103.3 53.5 -62.2 -42.1 55.7 3.3 90.5 301 301 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.929 108.3 50.2 -60.5 -42.0 57.9 5.4 92.7 302 302 A M H X S+ 0 0 32 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.896 109.8 51.1 -60.5 -39.3 58.3 2.5 95.0 303 303 A E H X S+ 0 0 30 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.896 107.6 52.5 -66.4 -39.7 59.2 0.3 92.0 304 304 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.933 109.2 49.0 -58.8 -46.9 61.8 2.8 90.9 305 305 A V H X S+ 0 0 7 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.913 108.9 54.0 -60.3 -40.6 63.4 2.8 94.4 306 306 A A H X S+ 0 0 26 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.867 106.5 52.1 -60.3 -38.2 63.3 -1.0 94.3 307 307 A L H <>S+ 0 0 2 -4,-2.0 5,-2.6 2,-0.2 6,-0.4 0.936 111.6 46.6 -60.4 -48.2 65.2 -0.9 90.9 308 308 A A H ><5S+ 0 0 18 -4,-2.2 3,-1.7 1,-0.2 5,-0.2 0.906 110.5 51.9 -62.4 -42.6 67.9 1.3 92.5 309 309 A R H 3<5S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 106.5 54.2 -67.8 -26.0 68.2 -0.9 95.6 310 310 A A T 3<5S- 0 0 71 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.301 118.7-112.0 -87.7 8.7 68.7 -3.9 93.4 311 311 A G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.736 81.0 126.9 67.6 25.4 71.6 -2.1 91.7 312 312 A R < + 0 0 66 -5,-2.6 2,-0.5 -6,-0.2 -4,-0.2 0.545 59.4 63.9 -88.5 -8.0 69.7 -1.9 88.3 313 313 A L - 0 0 21 -6,-0.4 2,-0.8 -5,-0.2 -1,-0.1 -0.967 55.4-169.8-124.4 124.7 70.2 1.9 88.0 314 314 A D - 0 0 94 -2,-0.5 2,-0.6 -99,-0.1 -125,-0.1 -0.877 19.8-161.7-108.7 96.1 73.5 3.8 87.6 315 315 A I - 0 0 18 -2,-0.8 2,-0.6 -7,-0.0 -133,-0.0 -0.701 8.5-143.6 -86.6 119.4 72.5 7.4 88.0 316 316 A H + 0 0 39 -2,-0.6 24,-3.1 -134,-0.1 2,-0.3 -0.712 32.9 166.8 -85.2 120.7 75.0 9.9 86.6 317 317 A T E -i 340 0B 53 -2,-0.6 2,-0.3 22,-0.2 24,-0.2 -0.792 32.1-153.1-126.9 165.0 75.1 12.9 88.9 318 318 A E E -i 341 0B 69 22,-1.7 24,-2.6 -2,-0.3 2,-0.3 -0.972 26.8-133.5-137.1 134.0 77.2 16.0 89.6 319 319 A T E +i 342 0B 77 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.669 24.6 177.1 -95.1 138.8 77.0 17.6 93.1 320 320 A F E -i 343 0B 12 22,-2.3 24,-3.0 -2,-0.3 2,-0.2 -0.931 26.2-121.8-131.0 157.2 76.6 21.2 93.9 321 321 A T - 0 0 66 -2,-0.3 3,-0.4 22,-0.2 4,-0.3 -0.477 36.6-105.7 -82.9 168.5 76.2 23.3 97.1 322 322 A L S > S+ 0 0 5 22,-0.4 3,-2.1 23,-0.2 -1,-0.1 0.920 123.8 57.7 -56.9 -43.5 73.2 25.5 97.7 323 323 A D T 3 S+ 0 0 96 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.808 104.7 51.4 -58.7 -30.1 75.4 28.5 96.9 324 324 A E T 3> S+ 0 0 91 -3,-0.4 4,-2.9 1,-0.2 -1,-0.3 0.463 80.7 105.7 -86.6 -2.1 76.1 26.9 93.5 325 325 A G H <> S+ 0 0 0 -3,-2.1 4,-1.9 -4,-0.3 3,-0.2 0.908 81.3 42.0 -39.9 -65.8 72.4 26.5 92.9 326 326 A P H > S+ 0 0 17 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.866 113.5 53.0 -56.9 -39.4 72.1 29.3 90.3 327 327 A A H > S+ 0 0 35 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.900 107.1 54.0 -61.4 -39.0 75.4 28.4 88.6 328 328 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.890 104.7 52.8 -63.7 -40.8 74.1 24.8 88.3 329 329 A Y H X S+ 0 0 3 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.864 107.8 52.3 -62.3 -34.8 70.9 26.0 86.5 330 330 A R H X S+ 0 0 122 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.901 108.6 50.1 -65.0 -40.9 73.2 27.9 84.1 331 331 A R H X>S+ 0 0 65 -4,-2.1 5,-2.2 2,-0.2 4,-1.1 0.921 109.9 50.9 -61.1 -43.5 75.1 24.7 83.5 332 332 A L H ><5S+ 0 0 21 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.927 108.8 51.8 -60.2 -45.4 71.8 22.9 82.9 333 333 A R H 3<5S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.895 112.6 44.7 -56.0 -43.6 70.8 25.6 80.4 334 334 A E H 3<5S- 0 0 137 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.590 113.2-118.9 -81.8 -10.4 74.0 25.2 78.4 335 335 A G T <<5S+ 0 0 38 -4,-1.1 -3,-0.2 -3,-0.6 -2,-0.1 0.845 72.9 128.1 80.0 36.9 73.8 21.4 78.5 336 336 A S < + 0 0 42 -5,-2.2 2,-0.7 -6,-0.1 -4,-0.2 0.225 38.0 98.2-112.1 12.7 77.0 20.8 80.4 337 337 A I - 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0 0 1 304,-2.7 304,-0.4 -2,-0.2 2,-0.3 -0.787 22.6-164.1 -87.8 136.1 63.8 -34.9 74.8 384 38 B C >> - 0 0 4 -2,-0.4 3,-2.0 302,-0.1 4,-0.6 -0.926 29.7-126.2-122.0 146.8 61.3 -33.7 77.3 385 39 B H H >> S+ 0 0 111 -2,-0.3 4,-1.6 1,-0.3 3,-0.9 0.788 108.6 71.4 -62.5 -24.6 60.5 -35.2 80.8 386 40 B S H 3> S+ 0 0 39 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.797 87.9 63.9 -58.9 -27.7 56.9 -35.4 79.6 387 41 B D H <> S+ 0 0 0 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.864 101.9 49.5 -62.8 -35.6 58.0 -38.2 77.3 388 42 B I H X S+ 0 0 41 -4,-1.6 4,-0.7 2,-0.2 3,-0.6 0.955 111.5 48.9 -60.6 -47.0 55.4 -39.5 81.9 390 44 B V H >< S+ 0 0 9 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.937 111.2 47.8 -56.5 -50.2 53.8 -40.7 78.7 391 45 B M H 3< S+ 0 0 4 -4,-2.4 -35,-0.6 1,-0.3 -1,-0.2 0.689 109.3 55.9 -68.7 -15.4 55.8 -43.9 78.6 392 46 B D H << S+ 0 0 92 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.566 81.8 114.7 -91.1 -9.5 55.0 -44.5 82.2 393 47 B M S << S- 0 0 17 -3,-1.3 -37,-0.2 -4,-0.7 -3,-0.0 -0.284 73.2-110.6 -60.0 141.2 51.2 -44.4 81.7 394 48 B P >> - 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0 0 16 -3,-1.8 4,-0.3 -17,-0.2 -3,-0.1 -0.385 36.7-155.0 -61.5 133.2 47.7 -5.1 102.4 799 107 C T S S+ 0 0 58 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.357 89.0 45.7 -95.3 6.3 50.9 -7.0 103.4 800 108 C R S > S+ 0 0 91 2,-0.1 4,-2.4 3,-0.1 5,-0.2 0.566 84.5 88.4-120.9 -20.0 51.3 -5.2 106.7 801 109 C A H >>S+ 0 0 16 1,-0.2 5,-2.3 2,-0.2 4,-0.7 0.880 89.0 50.0 -52.6 -48.0 47.8 -5.2 108.2 802 110 C A H >45S+ 0 0 96 -4,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.910 114.5 44.0 -59.7 -44.6 48.1 -8.5 109.9 803 111 C D H 345S+ 0 0 121 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.836 115.1 48.4 -69.2 -34.9 51.4 -7.5 111.6 804 112 C L H 3<5S- 0 0 93 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.474 110.6-120.2 -86.4 -2.0 50.2 -4.1 112.6 805 113 C G T <<5 + 0 0 55 -4,-0.7 2,-0.6 -3,-0.6 -3,-0.2 0.789 54.1 160.9 66.4 29.8 47.0 -5.4 114.0 806 114 C I < - 0 0 48 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.746 14.7-179.9 -84.5 121.8 44.8 -3.5 111.6 807 115 C T - 0 0 41 -2,-0.6 5,-0.2 5,-0.1 3,-0.1 -0.902 27.8-106.5-127.8 151.7 41.3 -5.0 111.5 808 116 C P > > - 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