==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 14-JUN-10 3NHS . COMPND 2 MOLECULE: RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.STURDY . 460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 4.6 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 1 0 0 0 2 3 1 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 0 2 2 3 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 A 0 0 78 0, 0.0 33,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.6 14.5 -9.3 17.8 2 2 A G + 0 0 77 31,-0.2 2,-0.3 1,-0.1 32,-0.1 0.170 360.0 104.2 -97.6 102.6 17.5 -9.6 17.2 3 3 A K - 0 0 80 30,-0.2 32,-2.4 2,-0.0 2,-0.4 -0.964 57.3-136.3-141.6 144.4 16.9 -9.7 13.5 4 4 A K E -a 35 0A 88 -2,-0.3 91,-3.2 30,-0.2 92,-1.3 -0.944 18.8-167.8-110.5 136.9 17.4 -7.2 10.6 5 5 A V E -ab 36 96A 3 30,-3.1 32,-2.6 -2,-0.4 2,-0.5 -0.970 7.9-162.5-124.1 133.2 14.8 -6.7 7.9 6 6 A L E -ab 37 97A 2 90,-2.4 92,-2.6 -2,-0.4 2,-0.6 -0.990 6.2-161.5-107.5 126.8 15.1 -4.8 4.5 7 7 A I E -ab 38 98A 0 30,-3.0 32,-2.9 -2,-0.5 2,-0.7 -0.947 1.6-162.1-106.1 116.6 11.9 -3.9 2.8 8 8 A V E -ab 39 99A 0 90,-2.8 92,-2.8 -2,-0.6 2,-0.5 -0.917 19.2-168.3 -97.6 115.8 12.5 -3.1 -0.9 9 9 A Y E -ab 40 100A 2 30,-2.7 32,-2.3 -2,-0.7 33,-0.4 -0.899 18.9-175.6-117.5 131.2 9.4 -1.2 -1.9 10 10 A A + 0 0 0 90,-2.4 2,-0.3 -2,-0.5 102,-0.1 -0.678 38.1 110.6-130.0 73.9 8.2 -0.2 -5.4 11 11 A H - 0 0 26 -2,-0.3 31,-0.2 90,-0.1 -2,-0.0 -0.985 52.7-144.7-142.2 145.7 5.2 2.0 -5.5 12 12 A Q S S+ 0 0 34 -2,-0.3 284,-0.1 1,-0.1 271,-0.1 0.709 82.5 65.3 -78.7 -18.9 4.8 5.6 -6.6 13 13 A E > - 0 0 24 1,-0.1 3,-1.4 283,-0.1 6,-0.4 -0.907 58.8-160.6-119.5 114.0 2.1 6.6 -4.1 14 14 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 281,-0.1 0.836 97.8 53.4 -58.6 -31.5 2.5 6.6 -0.2 15 15 A K T 3 S+ 0 0 124 279,-0.2 5,-0.1 4,-0.1 280,-0.1 0.526 89.3 112.2 -84.9 -0.8 -1.4 6.4 0.2 16 16 A S S <> S- 0 0 12 -3,-1.4 4,-2.3 1,-0.1 5,-0.1 -0.109 85.2-108.6 -62.1 163.2 -1.6 3.3 -2.1 17 17 A F H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.844 125.0 52.7 -58.2 -38.6 -2.5 -0.1 -0.9 18 18 A N H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 107.0 54.6 -60.2 -41.2 1.1 -1.1 -1.4 19 19 A G H > S+ 0 0 0 -6,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.902 107.0 49.4 -55.8 -48.0 2.0 1.9 0.8 20 20 A S H X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.910 110.3 50.2 -63.8 -40.9 -0.3 0.6 3.5 21 21 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.867 111.6 47.6 -61.3 -41.0 1.3 -2.9 3.3 22 22 A K H X S+ 0 0 31 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.936 113.1 48.9 -65.5 -45.0 4.8 -1.5 3.6 23 23 A N H X S+ 0 0 66 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.875 110.4 50.0 -65.9 -39.1 3.8 0.7 6.6 24 24 A V H X S+ 0 0 28 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.853 111.3 50.6 -62.7 -36.3 2.1 -2.2 8.4 25 25 A A H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.2 5,-0.3 0.928 111.9 45.1 -64.4 -54.8 5.2 -4.2 7.9 26 26 A V H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.943 116.2 48.3 -55.7 -48.3 7.5 -1.5 9.3 27 27 A D H X S+ 0 0 108 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.951 116.8 40.5 -57.2 -48.4 5.0 -0.9 12.2 28 28 A E H X S+ 0 0 14 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.906 118.3 45.1 -73.7 -38.3 4.7 -4.6 13.1 29 29 A L H <>S+ 0 0 0 -4,-2.3 5,-2.1 -5,-0.3 4,-0.5 0.916 113.9 49.9 -73.2 -39.0 8.3 -5.6 12.7 30 30 A S H ><5S+ 0 0 74 -4,-2.5 3,-1.2 -5,-0.3 -2,-0.2 0.905 108.6 54.5 -64.6 -40.7 9.5 -2.4 14.6 31 31 A R H 3<5S+ 0 0 163 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.838 103.9 54.9 -61.3 -30.6 7.0 -3.4 17.4 32 32 A Q T 3<5S- 0 0 41 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.567 123.4-105.8 -76.7 -13.7 8.7 -6.8 17.6 33 33 A G T < 5 + 0 0 45 -3,-1.2 -3,-0.2 -4,-0.5 -31,-0.2 0.515 69.7 147.1 100.7 6.7 12.1 -5.2 18.1 34 34 A C < - 0 0 11 -5,-2.1 2,-0.5 -33,-0.2 -1,-0.3 -0.374 54.1-116.9 -70.5 154.8 13.5 -5.9 14.6 35 35 A T E -a 4 0A 73 -32,-2.4 -30,-3.1 -2,-0.1 2,-0.4 -0.823 42.1-167.8 -89.6 125.7 15.9 -3.5 13.0 36 36 A V E +a 5 0A 38 -2,-0.5 2,-0.4 -32,-0.2 -30,-0.2 -0.979 17.9 176.6-129.5 132.3 14.1 -2.4 9.9 37 37 A T E -a 6 0A 62 -32,-2.6 -30,-3.0 -2,-0.4 2,-0.4 -0.987 12.5-155.9-132.3 146.4 15.2 -0.5 6.8 38 38 A V E -a 7 0A 46 -2,-0.4 2,-0.7 -32,-0.2 -30,-0.2 -0.966 8.0-157.0-123.7 133.8 13.2 0.4 3.7 39 39 A S E -a 8 0A 0 -32,-2.9 -30,-2.7 -2,-0.4 2,-1.2 -0.938 12.2-165.3-106.8 99.6 14.5 1.2 0.2 40 40 A D E > -a 9 0A 46 -2,-0.7 4,-2.0 1,-0.2 3,-0.3 -0.740 6.5-168.3 -83.1 92.8 11.7 3.3 -1.3 41 41 A L T 4>S+ 0 0 0 -32,-2.3 5,-2.5 -2,-1.2 4,-0.3 0.864 79.2 47.8 -64.5 -41.8 12.9 2.9 -4.9 42 42 A Y T >45S+ 0 0 30 -33,-0.4 3,-1.2 -31,-0.2 -1,-0.3 0.884 113.0 49.5 -62.1 -41.8 10.7 5.5 -6.5 43 43 A A T 345S+ 0 0 78 -3,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.834 110.8 50.1 -64.2 -29.3 11.5 8.1 -3.8 44 44 A M T 3<5S- 0 0 79 -4,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.480 106.8-130.6 -80.0 -6.6 15.2 7.4 -4.2 45 45 A N T < 5 - 0 0 104 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.924 35.7-155.2 50.5 43.4 14.7 7.9 -8.1 46 46 A F < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 68,-0.1 -0.270 12.1-119.8 -57.7 133.9 16.6 4.5 -8.2 47 47 A E - 0 0 50 1,-0.2 -1,-0.1 -3,-0.1 71,-0.1 -0.601 28.7-175.1 -77.4 121.3 18.4 4.0 -11.5 48 48 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 293,-0.3 0.711 50.3 98.6 -90.1 -21.3 17.0 0.8 -13.2 49 49 A R - 0 0 12 292,-0.1 2,-1.0 293,-0.1 -2,-0.0 -0.530 68.8-136.1 -76.4 138.6 19.3 0.7 -16.3 50 50 A A + 0 0 1 -2,-0.3 2,-0.2 3,-0.1 193,-0.1 -0.721 51.2 145.4 -85.2 102.7 22.5 -1.6 -16.4 51 51 A T > - 0 0 27 -2,-1.0 3,-1.8 16,-0.1 4,-0.1 -0.786 67.1 -95.8-137.3 177.2 25.1 0.8 -17.8 52 52 A D G > S+ 0 0 85 1,-0.3 3,-1.2 -2,-0.2 -2,-0.0 0.574 111.9 79.1 -71.9 -8.9 28.7 1.7 -17.7 53 53 A K G 3 S+ 0 0 169 1,-0.2 -1,-0.3 27,-0.0 -3,-0.1 0.677 77.0 76.1 -66.7 -11.4 27.9 4.4 -15.2 54 54 A D G < S+ 0 0 4 -3,-1.8 27,-2.5 26,-0.1 2,-0.4 0.560 89.4 66.0 -77.2 -6.7 27.7 1.5 -12.6 55 55 A I B < S-E 80 0B 14 -3,-1.2 2,-0.2 25,-0.3 25,-0.2 -0.970 72.3-153.4-121.3 127.4 31.5 1.4 -12.5 56 56 A T + 0 0 67 23,-2.7 2,-0.1 -2,-0.4 -2,-0.0 -0.623 63.6 17.5 -97.1 158.1 33.7 4.2 -11.2 57 57 A G S S- 0 0 71 -2,-0.2 2,-0.1 2,-0.0 -2,-0.1 -0.360 113.9 -25.9 73.4-158.4 37.2 4.8 -12.4 58 58 A T S S- 0 0 142 1,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.457 70.0-107.5 -91.8 160.4 38.4 3.3 -15.6 59 59 A L - 0 0 40 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.657 15.7-125.4 -92.4 140.1 37.0 0.1 -17.2 60 60 A S S S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.120 110.9 8.0 -67.6 24.1 38.7 -3.3 -17.4 61 61 A N > - 0 0 71 -2,-0.3 3,-0.5 9,-0.0 -1,-0.3 0.064 64.8-177.1 164.0 85.2 38.0 -2.9 -21.2 62 62 A P T 3 S+ 0 0 92 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 0.251 80.8 63.0 -81.6 21.1 36.7 0.5 -22.5 63 63 A E T 3 S+ 0 0 127 1,-0.3 2,-0.4 -4,-0.0 -2,-0.0 0.727 110.9 26.2-113.7 -39.9 36.4 -0.9 -26.1 64 64 A V S < S- 0 0 65 -3,-0.5 2,-0.5 181,-0.1 -1,-0.3 -0.936 81.9-147.4-127.1 102.6 33.9 -3.8 -25.7 65 65 A F + 0 0 16 -2,-0.4 2,-0.5 -3,-0.2 179,-0.1 -0.633 19.2 178.1 -70.3 121.2 31.5 -3.1 -22.8 66 66 A N > - 0 0 49 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 -0.953 14.3-160.6-124.8 111.2 30.4 -6.3 -21.0 67 67 A Y H > S+ 0 0 18 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.924 88.1 48.5 -61.0 -46.0 28.1 -5.5 -18.1 68 68 A G H > S+ 0 0 36 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.876 117.7 41.7 -61.3 -38.7 28.5 -8.9 -16.2 69 69 A V H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 115.1 49.6 -77.2 -46.0 32.2 -8.9 -16.5 70 70 A E H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.841 114.9 42.8 -65.6 -38.9 32.7 -5.2 -15.7 71 71 A T H X S+ 0 0 6 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.797 109.6 57.5 -78.7 -26.6 30.5 -5.3 -12.6 72 72 A H H X S+ 0 0 28 -4,-1.3 4,-2.0 -5,-0.3 -2,-0.2 0.982 112.4 40.1 -68.6 -52.7 32.0 -8.5 -11.4 73 73 A E H X S+ 0 0 62 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.841 114.2 54.6 -58.8 -41.0 35.5 -7.0 -11.5 74 74 A A H <>S+ 0 0 5 -4,-1.7 5,-3.7 -5,-0.2 6,-0.5 0.880 106.9 51.4 -63.2 -39.3 34.2 -3.7 -10.0 75 75 A Y H ><5S+ 0 0 59 -4,-2.4 3,-1.5 3,-0.2 -2,-0.2 0.956 112.5 44.3 -60.3 -51.1 32.6 -5.6 -7.1 76 76 A K H 3<5S+ 0 0 106 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.785 117.6 46.8 -65.9 -32.0 35.9 -7.4 -6.3 77 77 A Q T 3<5S- 0 0 121 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.174 112.0-117.5 -94.0 15.9 37.9 -4.2 -6.7 78 78 A R T < 5S+ 0 0 209 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.853 78.7 124.7 46.8 44.5 35.5 -2.0 -4.6 79 79 A S < + 0 0 25 -5,-3.7 -23,-2.7 -6,-0.1 -4,-0.2 0.098 28.0 121.9-119.3 19.9 34.7 0.1 -7.7 80 80 A L B S-E 55 0B 13 -6,-0.5 -25,-0.3 -25,-0.2 -26,-0.1 -0.580 73.6 -89.3 -82.8 147.8 30.8 -0.1 -8.0 81 81 A A > - 0 0 14 -27,-2.5 4,-2.1 -2,-0.2 3,-0.5 -0.153 38.0-115.2 -49.7 146.9 28.7 3.1 -8.0 82 82 A S H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.854 111.9 62.8 -67.4 -33.0 27.7 4.2 -4.5 83 83 A D H > S+ 0 0 50 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.930 109.4 43.7 -51.5 -42.7 23.8 3.6 -5.2 84 84 A I H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.942 114.0 46.8 -70.8 -46.8 24.6 -0.1 -5.8 85 85 A T H X S+ 0 0 50 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.887 107.2 58.1 -71.8 -29.0 27.0 -0.6 -2.8 86 86 A D H X S+ 0 0 94 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.935 110.8 44.7 -54.4 -48.4 24.5 1.3 -0.4 87 87 A E H X S+ 0 0 2 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.930 111.0 52.0 -66.1 -43.0 22.0 -1.4 -1.4 88 88 A Q H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.911 105.5 55.5 -62.0 -40.6 24.4 -4.3 -1.1 89 89 A K H X S+ 0 0 119 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.927 109.2 47.8 -54.5 -48.2 25.3 -3.1 2.4 90 90 A K H X S+ 0 0 53 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.882 113.6 47.6 -58.1 -38.3 21.6 -3.3 3.4 91 91 A V H < S+ 0 0 0 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.925 108.3 53.1 -69.5 -47.2 21.3 -6.7 1.9 92 92 A R H < S+ 0 0 120 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.919 113.3 45.1 -55.2 -42.6 24.5 -8.1 3.5 93 93 A E H < S+ 0 0 92 -4,-2.0 -1,-0.2 -5,-0.2 -89,-0.2 0.750 95.5 101.2 -75.4 -21.7 23.2 -7.0 6.9 94 94 A A < - 0 0 3 -4,-1.1 -89,-0.2 -3,-0.4 3,-0.1 -0.381 46.4-173.0 -72.5 139.8 19.6 -8.3 6.4 95 95 A D S S+ 0 0 64 -91,-3.2 46,-2.0 1,-0.3 2,-0.3 0.624 85.4 25.0 -95.4 -18.8 18.2 -11.6 7.8 96 96 A L E -bc 5 141A 0 -92,-1.3 -90,-2.4 44,-0.2 2,-0.6 -0.980 66.5-161.1-147.5 127.0 15.0 -11.1 5.8 97 97 A V E -bc 6 142A 0 44,-2.0 46,-2.1 -2,-0.3 2,-0.5 -0.971 9.4-166.6-112.7 118.4 14.4 -9.2 2.6 98 98 A I E -bc 7 143A 1 -92,-2.6 -90,-2.8 -2,-0.6 2,-0.5 -0.890 5.1-157.6 -98.9 127.0 10.8 -8.4 1.9 99 99 A F E -bc 8 144A 1 44,-2.5 46,-3.2 -2,-0.5 2,-0.5 -0.950 9.5-170.4-104.9 123.5 9.9 -7.1 -1.7 100 100 A Q E +bc 9 145A 2 -92,-2.8 -90,-2.4 -2,-0.5 46,-0.2 -0.959 26.6 129.3-115.4 114.0 6.7 -5.1 -1.7 101 101 A F E - c 0 146A 0 44,-2.1 46,-1.8 -2,-0.5 2,-0.3 -0.995 56.2-105.5-161.6 151.3 5.3 -4.3 -5.2 102 102 A P E - c 0 147A 14 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.695 50.3-104.8 -76.6 143.7 2.3 -4.3 -7.6 103 103 A L - 0 0 22 44,-2.9 2,-0.5 -2,-0.3 5,-0.2 -0.558 38.4-171.3 -65.6 122.9 2.5 -7.0 -10.3 104 104 A Y B > S-F 107 0C 36 3,-2.7 3,-0.5 -2,-0.3 244,-0.1 -0.980 72.3 -19.9-119.2 116.1 3.4 -5.4 -13.6 105 105 A W T 3 S- 0 0 40 -2,-0.5 3,-0.1 1,-0.2 301,-0.1 0.912 124.7 -54.5 53.1 48.0 3.2 -7.8 -16.6 106 106 A F T 3 S+ 0 0 10 1,-0.2 2,-0.3 299,-0.1 -1,-0.2 0.771 129.9 61.9 61.1 31.4 3.4 -11.0 -14.4 107 107 A S B < S-F 104 0C 9 -3,-0.5 -3,-2.7 294,-0.1 -1,-0.2 -0.887 96.8 -56.4-158.6-166.0 6.6 -9.6 -12.9 108 108 A V - 0 0 0 -2,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.586 61.0 -93.9 -85.3 151.2 8.1 -6.8 -10.9 109 109 A P >> - 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.253 45.7-107.8 -52.4 147.4 7.8 -3.0 -12.0 110 110 A A H 3> S+ 0 0 1 169,-0.3 4,-2.6 1,-0.3 235,-0.1 0.797 117.8 61.5 -56.1 -32.7 10.9 -2.1 -14.0 111 111 A I H 3> S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.889 110.0 41.3 -64.8 -33.7 12.4 -0.0 -11.2 112 112 A L H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.861 110.3 57.1 -78.2 -30.2 12.5 -3.1 -9.0 113 113 A K H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.931 106.6 51.9 -64.4 -40.0 13.7 -5.2 -11.9 114 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.870 103.8 55.2 -62.3 -39.2 16.6 -2.7 -12.1 115 115 A W H X>S+ 0 0 2 -4,-1.4 4,-3.0 1,-0.2 5,-0.6 0.941 111.7 45.2 -56.3 -50.1 17.4 -3.2 -8.4 116 116 A M H X5S+ 0 0 2 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.926 114.4 48.0 -59.7 -46.2 17.7 -6.9 -9.0 117 117 A D H <5S+ 0 0 11 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.867 123.4 30.6 -65.1 -34.7 19.8 -6.5 -12.2 118 118 A R H <5S+ 0 0 3 -4,-2.3 3,-0.2 -5,-0.1 -2,-0.2 0.837 123.5 41.4-101.4 -35.1 22.2 -3.9 -10.7 119 119 A V H <5S+ 0 0 0 -4,-3.0 2,-1.9 -5,-0.3 -3,-0.2 0.870 103.7 64.5 -80.9 -38.1 22.5 -4.9 -6.9 120 120 A L S <>> - 0 0 8 -2,-1.9 4,-2.5 -3,-0.2 3,-1.4 -0.378 48.6 -88.2 -91.8 161.6 25.9 -8.8 -9.1 122 122 A Q B 345S+g 126 0D 32 1,-0.2 5,-0.2 -54,-0.2 -47,-0.2 -0.495 117.4 31.9 -67.3 136.5 28.3 -11.7 -9.5 123 123 A G T 345S+ 0 0 15 3,-3.1 -1,-0.2 -2,-0.2 4,-0.1 -0.243 124.0 51.0 105.1 -37.7 30.8 -11.8 -6.6 124 124 A F T <45S+ 0 0 11 -3,-1.4 -2,-0.2 2,-0.2 3,-0.1 0.918 125.2 13.8 -92.8 -59.1 28.1 -10.4 -4.2 125 125 A A T <5S- 0 0 0 -4,-2.5 12,-0.7 1,-0.3 2,-0.3 0.700 133.0 -12.7 -96.7 -24.3 24.9 -12.6 -4.7 126 126 A F B < -g 122 0D 26 -5,-0.8 -3,-3.1 9,-0.2 -1,-0.3 -0.979 61.3-129.3-163.1 169.7 26.4 -15.5 -6.6 127 127 A D - 0 0 57 3,-0.7 4,-0.1 7,-0.3 3,-0.1 -0.830 34.0 -91.7-126.1 167.9 29.4 -16.6 -8.4 128 128 A I S S+ 0 0 107 1,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.817 137.2 13.8-117.2 93.2 30.2 -18.3 -12.0 129 129 A P S S+ 0 0 108 0, 0.0 -1,-0.4 0, 0.0 -3,-0.0 0.667 117.4 101.7 -78.8 168.3 30.0 -21.0 -11.0 130 130 A G + 0 0 5 -2,-0.2 6,-0.7 -4,-0.1 -3,-0.7 0.413 52.7 110.1 166.4 17.0 28.4 -19.8 -7.7 131 131 A F > + 0 0 44 4,-0.2 3,-1.2 -5,-0.2 2,-1.0 -0.347 54.2 12.9-125.8-172.0 24.7 -20.3 -7.4 132 132 A Y T 3 S- 0 0 14 46,-1.8 3,-0.3 1,-0.3 6,-0.0 -0.290 136.5 -0.6 43.7 -84.3 21.4 -21.9 -6.1 133 133 A D T 3 S+ 0 0 97 -2,-1.0 2,-1.8 1,-0.2 -1,-0.3 0.919 135.1 53.6-101.6 -43.1 23.2 -23.6 -3.2 134 134 A S S < S+ 0 0 79 -3,-1.2 2,-0.5 -7,-0.0 -7,-0.3 -0.036 94.8 137.0 -61.5 39.5 26.9 -22.7 -3.6 135 135 A G > - 0 0 0 -2,-1.8 3,-1.9 -3,-0.3 -4,-0.2 -0.820 59.9-135.1-114.9 119.2 24.9 -19.3 -3.6 136 136 A L T 3 S+ 0 0 69 -6,-0.7 44,-0.2 -2,-0.5 -10,-0.2 0.503 95.7 57.7 -61.5 -17.4 26.2 -16.4 -1.6 137 137 A L T > S+ 0 0 8 42,-3.0 3,-1.9 -12,-0.7 -1,-0.3 0.234 74.2 145.1 -95.2 18.2 23.1 -15.1 0.2 138 138 A Q T < + 0 0 121 -3,-1.9 43,-0.2 1,-0.2 3,-0.1 -0.164 59.9 37.8 -53.3 141.5 22.5 -18.5 1.9 139 139 A G T 3 S+ 0 0 72 41,-0.6 -1,-0.2 1,-0.4 2,-0.2 -0.039 94.9 103.7 103.0 -33.0 21.1 -18.1 5.4 140 140 A K < - 0 0 28 -3,-1.9 42,-2.2 40,-0.1 -1,-0.4 -0.554 63.0-138.6 -82.4 154.9 18.9 -15.2 4.5 141 141 A L E -cd 96 182A 33 -46,-2.0 -44,-2.0 40,-0.2 2,-0.3 -0.775 15.3-164.3-106.8 152.2 15.2 -15.4 4.0 142 142 A A E -cd 97 183A 0 40,-2.1 42,-2.8 -2,-0.3 2,-0.4 -0.972 4.1-172.0-136.6 151.0 13.2 -13.6 1.2 143 143 A L E -cd 98 184A 0 -46,-2.1 -44,-2.5 -2,-0.3 2,-0.6 -0.963 14.8-145.7-146.7 124.0 9.6 -13.0 0.8 144 144 A L E -c 99 0A 0 40,-0.5 43,-3.0 -2,-0.4 2,-0.6 -0.823 11.3-172.5 -88.7 124.7 7.6 -11.6 -2.1 145 145 A S E +cd 100 187A 0 -46,-3.2 -44,-2.1 -2,-0.6 2,-0.4 -0.945 19.6 176.2-113.8 106.2 4.5 -9.5 -1.1 146 146 A V E -cd 101 188A 0 41,-2.5 43,-3.3 -2,-0.6 2,-0.3 -0.895 22.5-156.9-119.3 136.8 2.6 -8.8 -4.4 147 147 A T E -cd 102 189A 8 -46,-1.8 -44,-2.9 -2,-0.4 2,-0.3 -0.860 18.4-161.2-104.2 152.0 -0.6 -7.0 -5.1 148 148 A T E - d 0 190A 6 41,-1.5 43,-0.9 -2,-0.3 45,-0.3 -0.911 26.9-143.4-129.6 158.8 -2.5 -7.8 -8.3 149 149 A G S S+ 0 0 55 -2,-0.3 2,-0.4 -46,-0.2 45,-0.1 0.758 84.9 73.3 -84.5 -28.6 -5.2 -6.3 -10.4 150 150 A G S S- 0 0 13 1,-0.1 41,-0.4 2,-0.0 5,-0.1 -0.751 87.4-111.6 -96.8 138.3 -6.8 -9.6 -11.3 151 151 A T >> - 0 0 29 -2,-0.4 4,-0.9 39,-0.2 3,-0.6 -0.047 32.1-101.7 -61.9 163.3 -8.9 -11.6 -8.8 152 152 A A T 34 S+ 0 0 48 1,-0.2 3,-0.2 2,-0.2 12,-0.1 0.770 119.1 61.2 -59.0 -31.5 -7.8 -14.9 -7.3 153 153 A E T >4 S+ 0 0 141 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.919 99.9 55.7 -65.3 -37.3 -10.2 -16.9 -9.7 154 154 A M T <4 S+ 0 0 63 -3,-0.6 7,-1.6 1,-0.3 8,-0.5 0.842 103.9 57.2 -59.2 -30.7 -8.3 -15.5 -12.7 155 155 A Y T 3< S+ 0 0 21 -4,-0.9 9,-1.3 6,-0.2 -1,-0.3 0.013 83.0 111.8 -94.2 31.8 -5.1 -16.9 -11.1 156 156 A T S X S- 0 0 65 -3,-1.4 3,-2.4 7,-0.2 6,-0.5 -0.575 88.2 -97.6 -97.8 164.9 -6.3 -20.5 -10.9 157 157 A K T 3 S+ 0 0 147 1,-0.3 6,-0.2 -2,-0.2 298,-0.1 0.738 128.3 31.4 -61.3 -18.6 -4.7 -23.4 -13.1 158 158 A T T 3 S+ 0 0 120 -5,-0.2 -1,-0.3 4,-0.2 2,-0.2 0.010 96.1 109.5-126.4 19.1 -7.7 -22.9 -15.5 159 159 A G S X S- 0 0 21 -3,-2.4 3,-1.2 -5,-0.1 -5,-0.2 -0.555 89.5-101.8 -78.1 161.7 -8.2 -19.2 -15.0 160 160 A V T 3 S+ 0 0 83 1,-0.3 -5,-0.1 -2,-0.2 -6,-0.1 0.811 122.1 47.3 -55.4 -32.9 -7.1 -17.1 -17.9 161 161 A N T 3 S- 0 0 10 -7,-1.6 -1,-0.3 1,-0.3 -6,-0.2 0.558 105.0-134.3 -88.4 -12.1 -3.8 -16.1 -16.2 162 162 A G < - 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0 0 39 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.200 33.1 -99.2 -72.8 171.3 33.4 -21.8 -30.1 428 197 B E H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.890 126.5 47.6 -60.0 -41.1 33.9 -19.3 -33.0 429 198 B E H > S+ 0 0 145 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 113.2 49.7 -62.6 -41.3 32.3 -21.8 -35.5 430 199 B E H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.889 110.3 48.1 -69.3 -42.3 29.4 -22.3 -33.1 431 200 B R H X S+ 0 0 77 -4,-2.7 4,-2.1 2,-0.2 3,-0.2 0.944 112.5 50.2 -62.4 -44.7 28.7 -18.6 -32.5 432 201 B K H X S+ 0 0 152 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.832 109.3 52.1 -60.6 -35.4 28.9 -18.0 -36.3 433 202 B G H X S+ 0 0 40 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.809 106.9 52.7 -71.8 -32.5 26.4 -20.9 -36.7 434 203 B M H X S+ 0 0 39 -4,-1.8 4,-1.6 -3,-0.2 -2,-0.2 0.904 109.4 48.0 -69.3 -41.4 24.0 -19.3 -34.3 435 204 B V H X S+ 0 0 29 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.941 114.7 45.8 -59.6 -49.4 24.0 -16.0 -36.1 436 205 B A H X S+ 0 0 55 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.825 106.0 59.3 -66.6 -34.6 23.4 -17.7 -39.5 437 206 B A H X S+ 0 0 38 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.911 110.1 44.8 -57.3 -42.3 20.7 -20.0 -38.0 438 207 B W H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.939 113.3 47.8 -67.5 -45.5 18.8 -16.8 -37.1 439 208 B S H X S+ 0 0 32 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.914 114.3 49.7 -57.5 -42.3 19.4 -15.1 -40.5 440 209 B Q H >X S+ 0 0 127 -4,-2.7 3,-0.6 1,-0.2 4,-0.6 0.926 109.1 50.0 -66.4 -41.6 18.3 -18.4 -42.1 441 210 B R H >< S+ 0 0 38 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.918 105.5 57.7 -62.1 -42.0 15.1 -18.6 -40.0 442 211 B L H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.3 4,-0.3 0.789 91.2 71.6 -64.7 -21.1 14.2 -15.0 -40.9 443 212 B Q H << S+ 0 0 104 -4,-1.0 -1,-0.3 -3,-0.6 3,-0.2 0.861 113.7 26.0 -60.1 -30.5 14.3 -15.9 -44.7 444 213 B T T X< S+ 0 0 63 -3,-1.4 3,-1.5 -4,-0.6 4,-0.3 0.103 84.8 118.7-120.2 20.2 11.0 -17.8 -44.1 445 214 B I G X S+ 0 0 2 -3,-1.2 3,-1.4 1,-0.3 -1,-0.1 0.826 70.4 60.3 -62.8 -30.4 9.5 -16.0 -41.1 446 215 B W G 3 S+ 0 0 66 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.638 100.9 57.0 -80.1 -10.0 6.3 -14.9 -42.9 447 216 B K G < S+ 0 0 164 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.465 86.9 105.5 -89.6 -6.9 5.5 -18.5 -43.5 448 217 B E < - 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