==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 13-MAR-08 2K1Q . COMPND 2 MOLECULE: NS3 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR T.ELISEO,M.GALLO,M.PENNESTRI,R.BAZZO,D.O.CICERO . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 3.0 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 . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 2 4 0 1 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 0 0 1 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 22 A T 0 0 181 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.7 -25.6 17.7 -0.7 2 23 A G + 0 0 90 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.524 360.0 155.5 -69.9 100.2 -24.7 20.9 -2.5 3 24 A R - 0 0 165 -2,-1.1 0, 0.0 1,-0.1 0, 0.0 -0.991 46.4-143.8-131.9 133.6 -20.9 20.7 -2.5 4 25 A D + 0 0 130 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 0.907 28.3 178.1 -60.1 -40.0 -18.4 22.4 -4.9 5 26 A K + 0 0 102 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.825 12.6 178.2 38.6 42.1 -16.1 19.3 -4.6 6 27 A N + 0 0 143 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.562 6.9 157.8 -75.1 130.9 -13.7 20.9 -7.1 7 28 A Q - 0 0 95 -2,-0.3 2,-0.3 62,-0.0 3,-0.0 -0.984 42.3-104.2-149.8 159.7 -10.6 18.8 -7.8 8 29 A V - 0 0 128 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.681 45.0-102.8 -88.3 139.0 -7.9 18.3 -10.5 9 30 A E + 0 0 133 -2,-0.3 2,-0.2 61,-0.1 -1,-0.1 -0.358 58.7 146.6 -60.0 130.8 -8.1 15.3 -12.7 10 31 A G - 0 0 36 -2,-0.1 61,-0.2 1,-0.1 -2,-0.0 -0.585 32.4-170.0-169.9 100.2 -5.6 12.6 -11.6 11 32 A E S S+ 0 0 60 -2,-0.2 15,-1.0 59,-0.1 2,-0.5 0.869 84.3 55.4 -63.6 -33.9 -6.2 8.8 -11.9 12 33 A V E S-A 25 0A 50 13,-0.2 2,-0.3 60,-0.1 13,-0.2 -0.864 73.8-170.1-103.8 129.9 -3.0 8.2 -9.8 13 34 A Q E -A 24 0A 37 11,-0.8 11,-1.5 -2,-0.5 2,-0.6 -0.814 28.8-106.0-116.3 158.5 -2.8 9.9 -6.3 14 35 A V E -A 23 0A 97 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.709 40.0-175.4 -85.0 121.3 0.2 10.2 -3.9 15 36 A V E +A 22 0A 4 7,-1.8 7,-2.6 -2,-0.6 2,-0.3 -0.920 3.8 176.9-118.5 142.7 -0.3 7.9 -0.9 16 37 A S E -AB 21 44A 38 28,-1.0 28,-1.5 -2,-0.4 5,-0.2 -0.966 11.4-160.0-142.0 159.7 2.0 7.7 2.2 17 38 A T - 0 0 32 3,-2.6 26,-0.1 -2,-0.3 21,-0.1 -0.570 45.0 -87.6-124.6-170.1 2.2 5.9 5.5 18 39 A A S S+ 0 0 107 -2,-0.2 3,-0.1 1,-0.1 25,-0.0 0.401 125.3 31.9 -84.0 5.9 4.0 6.4 8.9 19 40 A T S S- 0 0 114 1,-0.4 2,-0.3 18,-0.2 -1,-0.1 0.629 126.2 -1.6-128.7 -38.9 7.1 4.5 7.5 20 41 A Q - 0 0 81 17,-0.3 -3,-2.6 18,-0.0 -1,-0.4 -0.953 59.8-123.1-149.9 170.1 7.4 5.1 3.7 21 42 A S E +A 16 0A 71 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.908 34.0 154.0-119.7 147.4 5.7 6.8 0.8 22 43 A F E -A 15 0A 4 -7,-2.6 -7,-1.8 -2,-0.3 2,-0.3 -0.909 36.7 -98.4-156.4-178.6 4.4 5.2 -2.5 23 44 A L E -A 14 0A 13 95,-1.1 2,-0.3 -2,-0.3 -9,-0.2 -0.829 27.2-163.1-113.9 153.3 1.9 5.6 -5.3 24 45 A A E -A 13 0A 5 -11,-1.5 -11,-0.8 -2,-0.3 2,-0.4 -0.894 8.8-141.1-130.4 161.3 -1.5 4.0 -5.9 25 46 A T E -AC 12 32A 1 7,-1.6 7,-1.7 -2,-0.3 2,-0.8 -0.968 10.6-137.2-126.2 140.1 -3.8 3.6 -8.9 26 47 A C E + C 0 31A 7 -15,-1.0 47,-1.5 -2,-0.4 2,-0.5 -0.805 27.3 176.9 -98.3 105.5 -7.7 3.8 -9.0 27 48 A V E > S- C 0 30A 13 3,-2.8 3,-1.0 -2,-0.8 47,-0.1 -0.909 70.2 -5.9-110.0 130.0 -9.1 0.9 -11.1 28 49 A N T 3 S- 0 0 123 -2,-0.5 -1,-0.2 45,-0.4 3,-0.1 0.887 133.1 -54.0 58.0 38.4 -12.9 0.5 -11.5 29 50 A G T 3 S+ 0 0 37 -3,-0.3 37,-1.1 1,-0.2 2,-0.4 0.736 120.7 109.0 70.5 19.9 -13.4 3.3 -8.9 30 51 A V E < -CD 27 65A 16 -3,-1.0 -3,-2.8 35,-0.2 -1,-0.2 -0.986 65.9-132.0-132.0 130.0 -11.2 1.4 -6.4 31 52 A C E -CD 26 64A 12 33,-2.0 33,-0.6 -2,-0.4 2,-0.3 -0.465 26.9-165.5 -75.7 148.9 -7.6 2.4 -5.3 32 53 A W E +CD 25 63A 8 -7,-1.7 -7,-1.6 31,-0.2 2,-0.3 -0.982 19.8 138.8-138.2 149.9 -4.9 -0.3 -5.4 33 54 A T E - D 0 62A 0 29,-1.3 29,-1.5 -2,-0.3 2,-0.2 -0.961 50.6 -72.7-168.7-179.1 -1.4 -0.8 -4.0 34 55 A V E >> - D 0 61A 0 -2,-0.3 4,-1.9 27,-0.2 5,-0.9 -0.530 33.0-130.4 -89.2 158.3 0.9 -3.3 -2.3 35 56 A Y T 45S+ 0 0 59 25,-1.7 26,-0.1 3,-0.2 -1,-0.1 0.892 104.4 55.8 -76.4 -40.0 0.4 -4.5 1.3 36 57 A H T 45S+ 0 0 39 24,-0.2 -1,-0.2 1,-0.2 25,-0.1 0.810 114.4 42.6 -65.0 -24.3 4.0 -4.0 2.5 37 58 A G T 45S+ 0 0 3 -18,-0.0 -17,-0.3 -21,-0.0 -2,-0.2 0.947 141.9 0.1 -84.3 -57.0 3.8 -0.4 1.4 38 59 A A T <5S+ 0 0 7 -4,-1.9 -3,-0.2 -21,-0.1 -2,-0.1 0.885 86.1 176.7 -96.9 -61.3 0.3 0.5 2.7 39 60 A G < - 0 0 4 -5,-0.9 2,-2.4 1,-0.2 -3,-0.1 -0.186 60.2 -40.7 80.0-179.4 -1.0 -2.7 4.4 40 61 A S S S+ 0 0 55 22,-0.1 2,-0.3 12,-0.0 -1,-0.2 -0.366 108.8 103.9 -79.3 64.6 -4.4 -2.9 6.2 41 62 A K S S- 0 0 144 -2,-2.4 2,-0.1 10,-0.1 -2,-0.0 -0.909 82.2 -76.4-139.2 167.5 -4.0 0.6 7.8 42 63 A T - 0 0 95 -2,-0.3 2,-0.5 10,-0.1 9,-0.1 -0.391 45.7-146.8 -65.4 139.3 -5.3 4.1 7.3 43 64 A L E - E 0 50A 0 7,-0.8 2,-0.8 -26,-0.1 7,-0.5 -0.923 1.9-145.3-112.8 131.1 -3.7 5.9 4.3 44 65 A A E +BE 16 49A 61 -28,-1.5 -28,-1.0 -2,-0.5 -2,-0.0 -0.808 30.6 166.5 -96.5 109.3 -3.0 9.7 4.3 45 66 A G - 0 0 19 3,-3.4 -30,-0.1 -2,-0.8 5,-0.0 -0.291 56.2 -79.6-105.5-166.0 -3.5 11.1 0.8 46 67 A P S S+ 0 0 98 0, 0.0 -31,-0.1 0, 0.0 -2,-0.0 0.851 132.4 49.1 -67.1 -32.4 -3.8 14.7 -0.5 47 68 A K S S- 0 0 104 1,-0.2 -3,-0.0 2,-0.0 3,-0.0 0.836 121.1-106.8 -75.6 -31.1 -7.4 14.8 0.6 48 69 A G S S+ 0 0 22 -5,-0.1 -3,-3.4 0, 0.0 -1,-0.2 -1.000 71.4 5.0 142.8-140.8 -6.6 13.4 4.1 49 70 A P E -E 44 0A 111 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.326 64.3-145.2 -75.0 161.4 -7.2 10.0 5.7 50 71 A I E -E 43 0A 35 -7,-0.5 -7,-0.8 -2,-0.0 2,-0.2 -0.986 8.5-127.7-131.5 139.4 -8.6 7.1 3.6 51 72 A T - 0 0 89 -2,-0.4 14,-0.9 14,-0.2 2,-0.4 -0.518 29.3-114.1 -81.9 150.7 -11.0 4.3 4.7 52 73 A Q E +F 64 0A 42 12,-0.2 12,-0.2 -2,-0.2 3,-0.1 -0.701 37.8 167.1 -87.4 132.3 -10.0 0.6 3.9 53 74 A M E + 0 0 43 10,-2.5 2,-0.3 -2,-0.4 11,-0.2 0.769 65.7 18.5-110.0 -44.9 -12.1 -1.2 1.4 54 75 A Y E -F 63 0A 23 9,-2.1 9,-2.3 2,-0.0 -1,-0.4 -0.953 60.5-177.9-130.0 150.0 -10.2 -4.4 0.5 55 76 A T E +F 62 0A 54 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.989 9.2 169.1-148.2 136.3 -7.3 -6.2 2.3 56 77 A N E >> +F 61 0A 39 5,-1.2 5,-1.9 -2,-0.3 4,-0.8 -0.658 6.5 176.2-150.0 89.3 -5.2 -9.3 1.4 57 78 A V T >45S+ 0 0 87 1,-0.2 3,-0.6 -2,-0.2 -1,-0.1 0.908 87.1 54.2 -61.3 -40.1 -2.1 -10.1 3.4 58 79 A D T 345S+ 0 0 160 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.930 116.2 36.8 -61.6 -43.9 -1.6 -13.3 1.4 59 80 A Q T 345S- 0 0 57 2,-0.2 -1,-0.2 -25,-0.0 -2,-0.2 0.469 106.0-129.7 -87.6 -0.0 -1.7 -11.5 -1.9 60 81 A D T <<5 + 0 0 22 -4,-0.8 -25,-1.7 -3,-0.6 2,-0.3 0.933 68.2 119.7 53.5 46.5 0.2 -8.5 -0.5 61 82 A L E < +DF 34 56A 4 -5,-1.9 -5,-1.2 -27,-0.3 2,-0.3 -0.996 37.9 180.0-144.2 138.4 -2.5 -6.1 -1.9 62 83 A V E -DF 33 55A 0 -29,-1.5 -29,-1.3 -2,-0.3 2,-0.3 -0.935 7.8-160.0-134.1 157.3 -4.9 -3.6 -0.3 63 84 A G E -DF 32 54A 0 -9,-2.3 -10,-2.5 -2,-0.3 -9,-2.1 -0.974 5.0-148.4-138.4 153.7 -7.5 -1.2 -1.7 64 85 A W E -DF 31 52A 1 -33,-0.6 -33,-2.0 -2,-0.3 2,-0.5 -0.899 34.0 -98.2-121.0 151.7 -9.4 1.9 -0.5 65 86 A Q E -D 30 0A 121 -14,-0.9 -14,-0.2 -2,-0.3 -35,-0.2 -0.521 42.6-130.5 -68.5 115.9 -12.9 3.2 -1.3 66 87 A A - 0 0 20 -37,-1.1 4,-0.1 -2,-0.5 3,-0.1 -0.512 21.6-123.8 -70.1 130.1 -12.4 5.8 -4.1 67 88 A P - 0 0 50 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.289 36.4 -86.9 -70.0 160.0 -14.3 9.0 -3.3 68 89 A P S S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -39,-0.0 -0.231 112.2 42.7 -63.7 156.3 -16.8 10.3 -5.8 69 90 A G S S+ 0 0 53 1,-0.3 2,-0.3 -3,-0.1 -62,-0.0 0.792 87.8 130.1 78.3 26.6 -15.5 12.6 -8.6 70 91 A A - 0 0 41 -3,-0.4 -1,-0.3 -4,-0.1 2,-0.1 -0.838 52.6-128.8-113.7 152.3 -12.5 10.3 -9.2 71 92 A R - 0 0 132 -2,-0.3 2,-0.3 -61,-0.2 -42,-0.1 -0.463 19.0-150.6 -92.8 168.9 -11.2 8.9 -12.5 72 93 A S - 0 0 56 -2,-0.1 2,-0.5 -44,-0.1 -45,-0.2 -0.949 11.2-124.7-137.8 158.7 -10.4 5.2 -13.2 73 94 A L - 0 0 9 -47,-1.5 -45,-0.4 -2,-0.3 55,-0.1 -0.890 23.1-133.8-108.0 131.6 -8.0 3.3 -15.5 74 95 A T - 0 0 72 -2,-0.5 55,-2.4 53,-0.3 3,-0.1 -0.380 31.3 -99.0 -76.9 160.1 -9.2 0.7 -17.9 75 96 A P B -g 129 0B 78 0, 0.0 2,-0.3 0, 0.0 55,-0.2 -0.306 46.6 -87.2 -75.6 163.7 -7.5 -2.7 -18.2 76 97 A C + 0 0 44 53,-1.1 53,-0.0 52,-0.2 3,-0.0 -0.537 46.4 171.5 -72.7 129.5 -4.9 -3.5 -21.0 77 98 A T + 0 0 112 -2,-0.3 -1,-0.1 1,-0.1 53,-0.0 -0.365 56.9 73.6-134.7 55.6 -6.6 -4.7 -24.2 78 99 A C S S- 0 0 49 2,-0.1 -1,-0.1 50,-0.0 -2,-0.0 0.426 88.6-122.9-143.9 -7.8 -3.9 -4.8 -26.8 79 100 A G + 0 0 66 1,-0.2 2,-0.6 2,-0.1 -2,-0.0 0.918 54.3 160.1 62.0 39.5 -1.5 -7.8 -26.0 80 101 A S - 0 0 33 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.845 33.3-163.2 -99.9 120.0 1.4 -5.4 -25.8 81 102 A S + 0 0 38 -2,-0.6 16,-2.0 15,-0.1 -1,-0.2 0.903 68.9 88.7 -66.7 -39.7 4.5 -6.7 -23.9 82 103 A D E -H 96 0B 72 14,-0.2 2,-0.3 15,-0.1 14,-0.2 -0.311 61.1-176.9 -60.0 139.6 6.0 -3.2 -23.6 83 104 A L E -H 95 0B 4 12,-1.9 12,-2.8 41,-0.2 2,-0.5 -0.977 21.6-138.2-139.3 153.1 4.8 -1.4 -20.4 84 105 A Y E -HI 94 123B 99 39,-1.2 39,-2.3 -2,-0.3 2,-0.4 -0.943 15.2-156.1-115.7 123.7 5.3 2.1 -18.9 85 106 A L E -HI 93 122B 3 8,-1.1 8,-1.0 -2,-0.5 2,-0.6 -0.823 11.1-138.8 -99.9 133.3 5.9 2.5 -15.1 86 107 A V E -H 92 0B 53 35,-1.0 2,-0.3 -2,-0.4 6,-0.2 -0.776 20.3-159.2 -91.6 120.0 5.0 5.8 -13.4 87 108 A T > - 0 0 6 4,-1.7 3,-1.7 -2,-0.6 4,-0.4 -0.686 28.9-117.7 -98.0 152.3 7.7 6.7 -10.8 88 109 A R T 3 S+ 0 0 157 28,-0.3 -1,-0.1 1,-0.3 29,-0.1 0.751 115.8 61.4 -59.1 -20.0 7.1 9.2 -7.9 89 110 A H T 3 S- 0 0 119 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.072 123.3-104.0 -94.6 26.8 9.8 11.4 -9.5 90 111 A A S < S+ 0 0 92 -3,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.898 78.7 139.2 55.5 40.1 7.7 11.8 -12.7 91 112 A D - 0 0 45 -4,-0.4 -4,-1.7 2,-0.0 2,-0.6 -0.946 42.3-153.3-118.5 135.0 10.0 9.3 -14.5 92 113 A V E -H 86 0B 85 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.0 -0.911 7.1-165.4-110.0 120.0 8.8 6.6 -16.9 93 114 A I E -H 85 0B 2 -8,-1.0 -8,-1.1 -2,-0.6 2,-0.3 -0.897 22.2-128.5-106.2 117.4 10.9 3.4 -17.3 94 115 A P E -H 84 0B 52 0, 0.0 12,-1.0 0, 0.0 2,-0.5 -0.449 30.7-172.8 -64.4 120.7 10.1 1.3 -20.3 95 116 A V E -HJ 83 105B 2 -12,-2.8 -12,-1.9 -2,-0.3 2,-0.4 -0.961 16.2-141.6-120.0 126.3 9.6 -2.3 -19.0 96 117 A R E -HJ 82 104B 94 8,-1.3 8,-2.6 -2,-0.5 2,-0.4 -0.703 22.7-122.7 -86.9 130.5 9.1 -5.3 -21.3 97 118 A R E + J 0 103B 84 -16,-2.0 6,-0.3 -2,-0.4 3,-0.1 -0.556 32.9 172.9 -73.5 126.1 6.6 -7.9 -20.1 98 119 A R - 0 0 169 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.072 65.2 -7.2-120.2 23.8 8.2 -11.4 -19.8 99 120 A G S S- 0 0 30 3,-0.6 -1,-0.1 1,-0.1 0, 0.0 -0.971 92.0 -68.0 169.4-179.1 5.3 -13.2 -18.2 100 121 A D S S+ 0 0 137 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.910 132.7 3.3 -63.2 -40.0 1.8 -12.8 -16.6 101 122 A S S S+ 0 0 48 48,-0.1 47,-1.8 -3,-0.1 2,-0.4 0.106 117.3 89.1-132.8 22.2 3.3 -10.9 -13.6 102 123 A R E + K 0 147B 126 45,-0.2 -4,-2.6 43,-0.0 -3,-0.6 -0.966 46.0 172.2-124.9 138.6 7.0 -10.6 -14.5 103 124 A G E -JK 97 146B 1 43,-2.7 43,-1.3 -2,-0.4 2,-0.3 -0.873 22.6-128.2-136.2 169.8 8.8 -7.9 -16.6 104 125 A S E -JK 96 145B 20 -8,-2.6 -8,-1.3 -2,-0.3 2,-0.6 -0.885 18.0-123.8-121.2 153.5 12.4 -7.0 -17.5 105 126 A L E -J 95 0B 18 39,-3.7 -10,-0.2 -2,-0.3 -12,-0.0 -0.840 12.4-165.1 -99.3 119.9 14.3 -3.7 -17.1 106 127 A L E S+ 0 0 98 -12,-1.0 -1,-0.2 -2,-0.6 -11,-0.1 0.904 83.7 45.7 -68.6 -39.0 15.8 -2.3 -20.4 107 128 A S E S- 0 0 44 -13,-0.3 2,-0.5 37,-0.0 -1,-0.2 -0.910 88.8-131.1-109.3 116.1 18.0 0.1 -18.5 108 129 A P E + 0 0 94 0, 0.0 36,-0.2 0, 0.0 -2,-0.0 -0.476 37.9 174.4 -65.8 116.3 19.8 -1.2 -15.5 109 130 A R E - K 0 143B 74 34,-1.0 34,-2.5 -2,-0.5 5,-0.0 -0.854 36.2 -92.3-122.7 160.0 19.2 1.3 -12.6 110 131 A P E >> - K 0 142B 73 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.317 34.6-118.3 -67.4 152.0 20.0 1.3 -8.9 111 132 A V H 3> S+ 0 0 23 30,-1.8 4,-1.5 1,-0.2 3,-0.3 0.856 113.3 63.9 -60.3 -32.2 17.4 -0.2 -6.6 112 133 A S H 34 S+ 0 0 88 29,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.900 96.1 57.7 -60.0 -38.7 17.1 3.2 -4.9 113 134 A Y H <4 S+ 0 0 51 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.904 110.9 41.9 -60.0 -40.0 15.8 4.8 -8.1 114 135 A L H >< S+ 0 0 3 -4,-1.0 3,-1.1 -3,-0.3 -1,-0.2 0.708 91.7 107.0 -81.5 -18.3 12.9 2.3 -8.2 115 136 A K T 3< S+ 0 0 85 -4,-1.5 54,-0.1 1,-0.2 20,-0.0 -0.320 78.1 30.9 -60.4 140.0 12.3 2.6 -4.4 116 137 A G T 3 S+ 0 0 11 53,-1.1 -28,-0.3 -29,-0.1 -1,-0.2 0.635 98.4 91.4 86.4 13.6 9.1 4.6 -3.7 117 138 A S X + 0 0 0 -3,-1.1 3,-2.0 52,-0.3 16,-0.3 0.499 49.0 118.4-116.1 -8.3 7.4 3.4 -6.9 118 139 A S T 3 S+ 0 0 0 51,-1.2 -95,-1.1 1,-0.2 16,-0.2 -0.322 76.9 30.3 -60.0 139.1 5.6 0.3 -5.6 119 140 A G T 3 S+ 0 0 0 14,-2.4 -1,-0.2 1,-0.4 -94,-0.2 0.099 89.7 128.4 97.3 -23.4 1.8 0.6 -6.0 120 141 A G < - 0 0 0 -3,-2.0 13,-1.9 -96,-0.1 -1,-0.4 -0.294 61.5-116.4 -63.0 151.7 2.3 2.8 -9.1 121 142 A P E - L 0 132B 2 0, 0.0 -35,-1.0 0, 0.0 2,-0.5 -0.674 16.3-139.1 -93.9 148.8 0.3 1.6 -12.1 122 143 A L E -IL 85 131B 1 9,-2.6 8,-3.2 -2,-0.3 9,-0.8 -0.880 18.1-162.5-104.7 130.3 1.9 0.4 -15.4 123 144 A L E -IL 84 129B 40 -39,-2.3 -39,-1.2 -2,-0.5 6,-0.2 -0.944 14.5-130.3-118.5 131.5 0.2 1.5 -18.6 124 145 A C E >> - L 0 128B 3 4,-2.1 3,-1.4 -2,-0.5 4,-0.5 -0.300 38.3 -98.8 -70.0 159.2 0.7 -0.1 -22.1 125 146 A P T 34 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -42,-0.1 0.789 122.3 66.9 -51.9 -26.6 1.5 2.3 -25.0 126 147 A S T 34 S- 0 0 70 2,-0.1 -3,-0.0 1,-0.1 -50,-0.0 0.919 120.4-104.0 -62.6 -40.0 -2.2 2.1 -26.0 127 148 A G T <4 S+ 0 0 42 -3,-1.4 2,-0.3 1,-0.3 -53,-0.3 0.667 78.5 117.4 120.7 36.4 -3.2 4.0 -22.8 128 149 A H E < - L 0 124B 54 -4,-0.5 -4,-2.1 -55,-0.1 -1,-0.3 -0.965 66.5-103.5-132.5 149.6 -4.6 1.3 -20.4 129 150 A A E +gL 75 123B 2 -55,-2.4 -53,-1.1 -2,-0.3 -6,-0.3 -0.428 30.6 178.8 -70.0 142.5 -3.5 -0.0 -17.0 130 151 A V E - 0 0 15 -8,-3.2 21,-1.1 1,-0.4 2,-0.3 0.610 57.2 -56.8-117.2 -22.8 -1.8 -3.4 -17.0 131 152 A G E -ML 150 122B 1 -9,-0.8 -9,-2.6 19,-0.3 -1,-0.4 -0.986 55.5 -82.2 167.6-169.9 -0.9 -4.0 -13.3 132 153 A I E -ML 149 121B 3 17,-1.6 17,-2.1 -2,-0.3 2,-0.1 -0.974 39.0-110.0-127.8 139.9 0.9 -2.4 -10.3 133 154 A F E +M 148 0B 1 -13,-1.9 -14,-2.4 -2,-0.4 15,-0.2 -0.415 37.4 169.8 -65.8 136.8 4.6 -2.6 -9.4 134 155 A R E - 0 0 79 13,-2.5 35,-1.1 1,-0.4 2,-0.3 0.746 58.1 -17.0-115.0 -52.4 5.2 -4.8 -6.3 135 156 A A E -MN 147 168B 12 12,-1.2 12,-2.4 33,-0.2 -1,-0.4 -0.990 56.9-125.0-153.7 160.0 9.0 -5.4 -6.0 136 157 A A E -M 146 0B 0 31,-2.7 2,-0.6 -2,-0.3 10,-0.2 -0.814 17.5-135.2-110.0 151.1 12.2 -5.1 -8.0 137 158 A V E +M 145 0B 64 8,-2.9 7,-1.6 -2,-0.3 8,-1.2 -0.902 34.0 160.7-108.3 119.6 14.8 -7.9 -8.6 138 159 A C E -M 143 0B 44 -2,-0.6 5,-0.2 5,-0.3 -2,-0.0 -0.930 32.4-155.2-134.1 159.0 18.5 -6.9 -8.3 139 160 A T S S- 0 0 99 3,-1.6 -1,-0.1 -2,-0.3 4,-0.1 0.854 90.4 -4.5-100.0 -50.7 21.8 -8.7 -7.7 140 161 A R S S- 0 0 227 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 -0.384 129.4 -49.2-142.9 61.6 24.1 -6.2 -6.1 141 162 A G S S+ 0 0 35 1,-0.2 -30,-1.8 -31,-0.1 2,-0.5 0.363 117.0 99.5 90.0 -7.5 22.3 -2.8 -5.9 142 163 A V E -K 110 0B 57 -32,-0.2 -3,-1.6 -31,-0.1 2,-0.5 -0.945 61.0-151.4-116.8 125.9 21.3 -3.0 -9.6 143 164 A A E +KM 109 138B 0 -34,-2.5 -34,-1.0 -2,-0.5 -5,-0.3 -0.809 19.4 171.6 -96.8 127.9 17.8 -4.2 -10.7 144 165 A K E + 0 0 126 -7,-1.6 -39,-3.7 -2,-0.5 2,-0.3 0.612 68.9 21.6-107.1 -17.2 17.5 -5.9 -14.1 145 166 A A E -KM 104 137B 25 -8,-1.2 -8,-2.9 -41,-0.3 2,-0.3 -0.976 64.4-152.8-146.8 159.8 13.8 -7.1 -13.9 146 167 A V E -KM 103 136B 1 -43,-1.3 -43,-2.7 -2,-0.3 2,-0.4 -0.925 9.5-137.4-133.8 160.0 10.7 -6.1 -11.9 147 168 A D E +KM 102 135B 38 -12,-2.4 -13,-2.5 -2,-0.3 -12,-1.2 -0.943 23.2 174.7-119.5 138.4 7.5 -8.0 -10.8 148 169 A F E - M 0 133B 5 -47,-1.8 -15,-0.2 -2,-0.4 -30,-0.0 -0.974 31.2-116.5-140.3 155.6 3.9 -6.6 -10.9 149 170 A V E - M 0 132B 22 -17,-2.1 -17,-1.6 -2,-0.3 -48,-0.1 -0.806 32.8-128.5 -94.5 126.0 0.4 -7.8 -10.2 150 171 A P E >> - M 0 131B 38 0, 0.0 3,-0.8 0, 0.0 4,-0.6 -0.268 20.2-115.3 -68.5 158.6 -1.9 -7.9 -13.3 151 172 A V H >> S+ 0 0 26 -21,-1.1 4,-1.1 1,-0.2 3,-0.7 0.784 110.2 72.9 -65.6 -24.7 -5.4 -6.3 -13.1 152 173 A E H 3> S+ 0 0 120 -22,-0.2 4,-1.3 1,-0.2 3,-0.4 0.892 88.9 59.7 -58.6 -38.0 -7.0 -9.7 -13.5 153 174 A S H <> S+ 0 0 18 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.870 97.4 60.5 -60.1 -34.5 -6.0 -10.6 -9.9 154 175 A M H