==== 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 24-FEB-04 1SGL . COMPND 2 MOLECULE: TRICHOMAGLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOSANTHES LEPINIANA; . AUTHOR J.-H.GAN,L.YU,J.WU,H.XU,J.S.CHOUDHARY,W.P.BLACKSTOCK,W.-Y.LI . 206 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 16.0 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 10 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 0 0 2 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 . 1 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 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 4 A E 0 0 224 0, 0.0 2,-0.3 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 132.7 10.6 51.2 19.8 2 5 A F - 0 0 26 44,-0.1 44,-0.1 1,-0.1 3,-0.1 -0.975 360.0-160.8-150.1 158.0 12.2 48.0 21.1 3 6 A D S S+ 0 0 112 42,-0.5 179,-0.6 -2,-0.3 2,-0.3 0.695 72.4 40.0-109.8 -33.2 14.0 45.0 19.7 4 7 A Y E -A 181 0A 92 41,-0.4 41,-3.2 177,-0.2 2,-0.3 -0.814 60.1-138.2-126.8 162.8 13.8 42.5 22.5 5 8 A F E -AB 180 44A 1 175,-3.0 175,-2.3 -2,-0.3 2,-0.5 -0.832 17.5-147.6-109.9 148.8 11.6 41.0 25.2 6 9 A I E -AB 179 43A 3 37,-2.9 37,-2.2 -2,-0.3 2,-0.7 -0.983 2.4-159.1-120.8 128.9 12.8 40.2 28.7 7 10 A L E -AB 178 42A 0 171,-2.9 171,-2.1 -2,-0.5 2,-0.5 -0.938 16.2-156.2-106.6 109.5 11.4 37.3 30.7 8 11 A A E -AB 177 41A 2 33,-2.8 32,-2.8 -2,-0.7 33,-1.5 -0.774 10.8-173.1 -93.1 126.9 12.1 37.9 34.3 9 12 A L E -AB 176 39A 2 167,-2.1 167,-2.2 -2,-0.5 2,-0.4 -0.913 9.5-148.6-118.6 145.9 12.2 35.0 36.7 10 13 A Q E -AB 175 38A 32 28,-2.8 28,-2.6 -2,-0.4 2,-0.7 -0.912 17.5-123.5-116.9 142.6 12.5 35.0 40.5 11 14 A W E >> - B 0 37A 4 163,-2.4 4,-1.8 -2,-0.4 3,-0.9 -0.740 18.3-150.4 -84.6 113.9 14.2 32.5 42.8 12 15 A A H 3> S+ 0 0 3 24,-2.2 4,-1.5 -2,-0.7 -1,-0.2 0.852 91.2 60.4 -52.4 -41.2 11.5 31.4 45.3 13 16 A G H 34 S+ 0 0 0 189,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.870 109.9 41.2 -57.5 -38.3 14.0 30.7 48.0 14 17 A T H X4 S+ 0 0 13 -3,-0.9 3,-0.6 159,-0.3 -1,-0.2 0.838 111.9 53.4 -80.0 -34.3 15.2 34.3 48.1 15 18 A S H 3< S+ 0 0 41 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.713 116.1 42.7 -71.9 -19.6 11.8 35.9 47.7 16 19 A a T 3< S+ 0 0 4 -4,-1.5 3,-0.5 -5,-0.2 -1,-0.2 0.411 83.6 95.4-106.2 -0.0 10.7 33.8 50.7 17 20 A R S < S+ 0 0 107 -3,-0.6 2,-0.3 -4,-0.3 -1,-0.1 0.620 73.9 68.4 -70.1 -11.2 13.7 34.2 53.0 18 21 A S S S- 0 0 111 1,-0.3 -1,-0.3 -3,-0.2 -4,-0.0 -0.312 98.3-136.2-101.2 49.2 12.1 37.1 54.9 19 22 A G + 0 0 56 -3,-0.5 -1,-0.3 -2,-0.3 2,-0.1 0.018 35.8 166.3 37.5-124.2 9.4 34.8 56.4 20 23 A G - 0 0 76 -3,-0.1 2,-0.4 2,-0.1 -1,-0.1 -0.367 40.0 -66.7 107.0 173.1 6.0 36.4 56.3 21 24 A A - 0 0 77 -2,-0.1 2,-0.3 8,-0.0 8,-0.1 -0.823 50.2-108.5-103.5 141.0 2.4 35.3 56.7 22 25 A b + 0 0 93 -2,-0.4 -2,-0.1 6,-0.1 59,-0.0 -0.508 48.6 163.1 -70.3 127.9 0.7 32.9 54.3 23 26 A c > - 0 0 33 -2,-0.3 3,-1.7 57,-0.1 6,-0.1 -0.870 45.4 -61.0-137.4 169.8 -1.9 34.6 52.2 24 27 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.208 118.3 9.2 -55.9 141.7 -3.8 33.8 48.9 25 28 A Y T 3 S+ 0 0 118 1,-0.2 53,-2.5 52,-0.1 2,-0.3 0.436 89.7 149.1 69.4 2.0 -1.7 33.3 45.8 26 29 A N B X -e 78 0B 20 -3,-1.7 3,-0.9 51,-0.2 -1,-0.2 -0.503 41.4-153.4 -72.7 130.1 1.5 33.4 47.8 27 30 A G T 3 S+ 0 0 18 51,-2.9 -1,-0.1 -2,-0.3 52,-0.1 0.502 87.8 68.7 -80.3 -4.5 4.4 31.2 46.4 28 31 A a T 3 S+ 0 0 31 50,-0.3 2,-0.4 -13,-0.1 -1,-0.2 0.467 95.1 62.2 -91.1 -2.3 6.0 30.6 49.8 29 32 A b < + 0 0 34 -3,-0.9 -1,-0.1 -6,-0.1 3,-0.1 -0.990 55.4 111.9-127.8 126.2 3.1 28.5 51.0 30 33 A K S S- 0 0 156 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.078 74.3-100.8 170.5 62.3 2.1 25.2 49.4 31 34 A A S S- 0 0 107 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.228 88.6 -18.3 49.0-117.9 2.7 22.0 51.4 32 35 A D S S+ 0 0 149 -3,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.944 77.8 133.5-130.2 115.2 5.8 20.4 50.0 33 36 A S - 0 0 80 -2,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.973 55.4 -90.3-149.8 153.6 7.4 21.2 46.6 34 37 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 169,-0.0 -0.339 44.2-105.0 -69.8 150.8 10.9 21.9 45.5 35 38 A T + 0 0 13 166,-0.1 105,-0.4 169,-0.1 2,-0.3 -0.570 55.1 159.8 -74.5 134.4 12.2 25.5 45.4 36 39 A Q - 0 0 49 -2,-0.3 -24,-2.2 -26,-0.1 2,-0.4 -0.906 46.2 -83.9-148.4 175.1 12.4 26.8 41.8 37 40 A F E -B 11 0A 1 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.2 -0.719 48.5-171.0 -82.6 132.7 12.5 29.8 39.6 38 41 A T E -B 10 0A 13 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.3 -0.818 28.7 -87.2-122.1 165.2 9.0 31.2 38.9 39 42 A I E +B 9 0A 2 36,-2.8 -30,-0.2 -2,-0.3 3,-0.1 -0.522 35.7 170.8 -76.4 131.6 7.7 33.8 36.5 40 43 A H E - 0 0 37 -32,-2.8 2,-0.3 1,-0.3 -31,-0.2 0.768 62.1 -63.5-101.6 -44.6 7.7 37.5 37.5 41 44 A G E -B 8 0A 2 -33,-1.5 -33,-2.8 79,-0.1 2,-0.4 -0.924 33.2-109.7 169.0 165.1 6.7 38.9 34.1 42 45 A L E +B 7 0A 1 -2,-0.3 -35,-0.2 -35,-0.2 60,-0.1 -0.930 40.9 165.2-113.8 137.7 7.4 39.5 30.4 43 46 A R E -B 6 0A 86 -37,-2.2 -37,-2.9 -2,-0.4 2,-0.2 -0.997 40.4 -99.2-154.4 155.7 8.2 43.0 29.1 44 47 A P E -B 5 0A 4 0, 0.0 2,-0.8 0, 0.0 -39,-0.2 -0.518 41.4-121.9 -72.3 140.7 9.6 45.0 26.2 45 48 A E - 0 0 30 -41,-3.2 -42,-0.5 -2,-0.2 -41,-0.4 -0.775 33.0-175.4 -89.8 108.3 13.2 46.0 26.7 46 49 A Y + 0 0 43 -2,-0.8 -44,-0.1 -44,-0.1 3,-0.1 -0.883 14.4 166.0-104.3 134.2 13.4 49.8 26.4 47 50 A S + 0 0 91 -2,-0.4 4,-0.1 1,-0.1 -1,-0.1 -0.075 46.0 92.0-139.7 38.3 16.9 51.4 26.6 48 51 A G S S- 0 0 62 2,-0.8 2,-3.6 -47,-0.1 -1,-0.1 -0.430 101.5 -87.1-135.4 65.7 16.5 55.0 25.4 49 52 A G S S+ 0 0 74 -3,-0.1 2,-0.4 -2,-0.1 -3,-0.0 -0.241 113.4 73.1 69.0 -58.1 15.9 57.4 28.3 50 53 A E - 0 0 148 -2,-3.6 -2,-0.8 1,-0.0 -3,-0.0 -0.724 57.3-178.1 -92.1 138.8 12.2 56.8 28.1 51 54 A R - 0 0 138 -2,-0.4 -2,-0.0 -4,-0.1 -5,-0.0 -0.735 20.1-145.8-140.0 85.7 10.7 53.5 29.3 52 55 A P + 0 0 43 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.027 19.9 175.8 -49.9 151.9 6.9 53.3 28.7 53 56 A S + 0 0 57 1,-0.3 49,-0.2 51,-0.0 48,-0.2 -0.955 60.2 27.4-157.2 145.6 4.4 51.6 31.0 54 57 A d + 0 0 45 47,-1.3 -1,-0.3 46,-0.3 47,-0.2 0.984 65.0 174.3 59.0 81.4 0.7 51.4 30.9 55 58 A e + 0 0 67 45,-0.6 -1,-0.1 -3,-0.1 46,-0.1 0.509 68.6 27.5 -99.7 -6.2 0.2 51.8 27.2 56 59 A T S S- 0 0 89 44,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.546 81.0-135.4-130.4 -14.0 -3.6 51.2 26.7 57 60 A G + 0 0 57 1,-0.2 2,-0.5 43,-0.2 43,-0.1 0.832 53.2 156.9 58.3 27.7 -5.3 52.2 29.9 58 61 A G - 0 0 28 42,-0.1 -1,-0.2 1,-0.0 2,-0.2 -0.790 45.9-116.9 -93.4 125.6 -7.2 49.0 29.3 59 62 A S - 0 0 88 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.0 -0.380 29.0-115.8 -63.8 124.4 -8.8 47.4 32.4 60 63 A F - 0 0 17 -2,-0.2 -1,-0.1 1,-0.1 36,-0.1 -0.406 26.5-154.3 -62.3 125.5 -7.5 43.9 33.2 61 64 A D > - 0 0 55 -2,-0.2 3,-1.6 1,-0.1 4,-0.1 -0.879 8.5-161.8-109.0 104.9 -10.2 41.3 32.8 62 65 A P G > S+ 0 0 79 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.741 84.0 74.3 -54.3 -26.4 -9.7 38.2 35.0 63 66 A D G > S+ 0 0 127 1,-0.3 3,-1.0 2,-0.2 -2,-0.0 0.837 85.8 63.0 -58.4 -34.1 -12.1 36.2 32.9 64 67 A E G < S+ 0 0 84 -3,-1.6 -1,-0.3 1,-0.2 -4,-0.0 0.413 91.9 66.5 -74.3 3.8 -9.6 36.0 30.0 65 68 A I G X> + 0 0 8 -3,-1.7 3,-2.7 1,-0.1 4,-0.5 0.725 67.7 109.7 -92.3 -27.4 -7.2 34.0 32.2 66 69 A M G X4 S+ 0 0 156 -3,-1.0 3,-1.2 -4,-0.5 4,-0.3 0.625 72.4 50.6 -17.6 -67.0 -9.4 30.9 32.5 67 70 A P G 34 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.410 118.9 41.8 -65.7 10.3 -7.5 28.3 30.5 68 71 A F G <> S+ 0 0 23 -3,-2.7 4,-2.7 2,-0.1 3,-0.3 0.464 77.4 107.3-131.4 -6.8 -4.3 29.2 32.4 69 72 A F H S+ 0 0 53 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.919 115.3 46.5 -60.0 -43.6 -3.9 26.3 37.3 71 74 A K H > S+ 0 0 78 -3,-0.3 4,-3.2 1,-0.2 5,-0.4 0.873 111.1 51.9 -67.8 -37.0 -0.6 27.0 35.6 72 75 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 108.3 50.7 -66.6 -41.9 -0.5 30.7 36.8 73 76 A V H < S+ 0 0 37 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.870 119.5 37.4 -63.9 -35.7 -1.0 29.7 40.4 74 77 A E H < S+ 0 0 112 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.909 132.2 23.5 -83.8 -43.4 1.8 27.2 40.2 75 78 A Y H < S+ 0 0 60 -4,-3.2 -36,-2.8 -5,-0.2 -3,-0.2 0.603 127.6 40.9-101.4 -11.5 4.3 29.0 38.0 76 79 A W S < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.4 19,-0.2 -0.262 76.3 152.6-131.0 46.9 3.4 32.6 38.4 77 80 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 -51,-0.2 -0.164 41.7-117.3 -71.5 171.6 2.7 33.1 42.2 78 81 A T B -e 26 0B 16 -53,-2.5 -51,-2.9 2,-0.1 -50,-0.3 -0.720 8.9-154.2-105.8 160.0 3.1 36.3 44.0 79 82 A Y S S+ 0 0 37 -2,-0.3 2,-0.3 -53,-0.2 -53,-0.1 0.184 73.2 71.4-119.4 16.1 5.6 36.8 46.9 80 83 A R - 0 0 134 2,-0.2 -2,-0.1 -55,-0.1 -57,-0.1 -0.865 68.4-143.2-125.6 159.2 3.8 39.6 48.7 81 84 A c S S+ 0 0 74 -2,-0.3 2,-0.2 2,-0.1 -55,-0.0 0.393 80.2 75.7-104.0 2.2 0.5 39.6 50.6 82 85 A A S S- 0 0 71 1,-0.1 -2,-0.2 -59,-0.1 2,-0.1 -0.699 90.7 -98.0-109.1 162.0 -0.6 43.0 49.4 83 86 A L - 0 0 105 -2,-0.2 2,-0.3 10,-0.1 10,-0.2 -0.418 46.0-106.5 -74.2 157.7 -2.1 43.9 46.0 84 87 A E E -F 92 0C 3 8,-3.8 8,-1.9 -2,-0.1 2,-0.4 -0.681 26.1-111.9 -91.9 139.4 0.4 45.4 43.5 85 88 A Q E +F 91 0C 90 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.538 52.6 169.5 -66.5 119.3 0.4 49.1 42.6 86 89 A S > - 0 0 14 4,-2.2 3,-0.7 -2,-0.4 2,-0.1 -0.292 37.4 -38.6-117.1-158.0 -0.7 49.2 39.0 87 90 A d G > S+ 0 0 9 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 -0.423 121.0 12.9 -70.5 139.8 -1.8 51.7 36.4 88 91 A N G 3 S- 0 0 113 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.891 128.9 -67.0 64.1 41.7 -4.0 54.6 37.5 89 92 A N G < S+ 0 0 138 -3,-0.7 2,-0.4 1,-0.2 -1,-0.3 0.708 96.2 151.8 53.5 18.4 -3.4 54.1 41.2 90 93 A R < - 0 0 133 -3,-1.1 -4,-2.2 -4,-0.1 2,-0.2 -0.681 44.6-133.3 -84.4 130.5 -5.4 50.9 40.7 91 94 A K E +F 85 0C 125 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.603 36.9 169.0 -79.0 143.0 -4.5 48.0 43.0 92 95 A E E -F 84 0C 33 -8,-1.9 -8,-3.8 -2,-0.2 2,-0.2 -0.980 38.3-102.3-152.6 161.4 -4.1 44.7 41.1 93 96 A I >> - 0 0 46 -2,-0.3 4,-2.3 -10,-0.2 3,-1.1 -0.573 51.5 -98.1 -81.8 154.0 -2.9 41.1 41.5 94 97 A L H 3> S+ 0 0 9 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.840 123.6 52.4 -37.7 -55.2 0.6 40.5 40.0 95 98 A W H 3> S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.879 112.8 46.2 -54.0 -41.0 -0.8 39.0 36.8 96 99 A G H <> S+ 0 0 0 -3,-1.1 4,-2.8 2,-0.2 5,-0.3 0.937 112.1 48.8 -68.0 -48.6 -2.9 42.1 36.3 97 100 A Q H X S+ 0 0 16 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.909 112.1 49.2 -58.2 -45.3 -0.2 44.6 37.1 98 101 A Q H X>S+ 0 0 8 -4,-2.9 4,-2.0 -5,-0.2 5,-1.7 0.910 113.3 47.3 -62.4 -42.5 2.3 42.9 34.7 99 102 A Y H <>S+ 0 0 26 -4,-1.9 5,-1.6 -5,-0.3 -2,-0.2 0.939 118.0 39.1 -64.7 -49.1 -0.3 42.8 31.9 100 103 A E H <5S+ 0 0 10 -4,-2.8 -45,-0.6 3,-0.2 -46,-0.3 0.924 121.0 43.0 -68.3 -45.8 -1.4 46.5 32.3 101 104 A K H <5S+ 0 0 78 -4,-2.8 -47,-1.3 -5,-0.3 -3,-0.2 0.854 138.4 2.3 -71.1 -34.6 2.1 47.9 33.0 102 105 A H T ><5S+ 0 0 31 -4,-2.0 3,-0.8 -5,-0.4 4,-0.2 0.752 119.8 62.5-122.1 -44.0 4.0 45.9 30.3 103 106 A G G > S+ 0 0 2 -3,-1.3 4,-1.6 -4,-0.2 3,-1.2 0.460 79.9 151.2 -97.0 -4.4 4.0 44.9 23.7 107 110 A S T <4 + 0 0 72 -3,-1.0 4,-0.1 1,-0.3 -3,-0.0 -0.435 54.2 22.0 -68.4 147.4 1.3 45.5 21.1 108 111 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.963 123.8 53.1 -91.6 7.8 1.1 44.6 18.2 109 112 A V T <4 S+ 0 0 49 -3,-1.2 2,-0.5 1,-0.3 -2,-0.2 0.912 126.2 27.9 -65.5 -39.7 3.6 41.8 18.7 110 113 A I S < S- 0 0 1 -4,-1.6 2,-0.6 -7,-0.2 -1,-0.3 -0.990 81.0-165.6-121.8 120.7 1.4 40.6 21.6 111 114 A K - 0 0 148 -2,-0.5 4,-0.5 -3,-0.2 -7,-0.1 -0.890 49.1 -19.9-115.2 106.5 -2.3 41.5 21.3 112 115 A G S > S- 0 0 32 -2,-0.6 4,-1.7 -9,-0.2 -1,-0.1 0.099 81.5 -69.2 89.3 159.5 -4.5 41.2 24.4 113 116 A E H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.914 122.8 54.4 -49.6 -58.9 -4.5 39.4 27.7 114 117 A W H > S+ 0 0 115 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.906 111.2 43.7 -45.1 -57.2 -4.9 35.9 26.5 115 118 A N H > S+ 0 0 46 -4,-0.5 4,-2.6 1,-0.2 5,-0.3 0.810 110.7 57.9 -61.8 -32.6 -1.9 36.0 24.1 116 119 A Y H X S+ 0 0 1 -4,-1.7 4,-2.3 -3,-0.3 -2,-0.2 0.965 113.5 36.0 -64.4 -52.7 0.2 37.7 26.8 117 120 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.891 117.6 53.4 -68.4 -38.4 -0.3 34.9 29.3 118 121 A K H X S+ 0 0 77 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.940 113.3 42.3 -60.8 -48.6 -0.2 32.2 26.7 119 122 A K H X S+ 0 0 35 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.898 113.4 51.7 -66.1 -42.7 3.1 33.4 25.2 120 123 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.924 113.3 44.7 -61.8 -43.2 4.7 34.0 28.6 121 124 A L H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.887 110.8 54.0 -68.5 -39.0 3.8 30.5 29.8 122 125 A K H X S+ 0 0 82 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.930 109.8 47.5 -60.7 -45.8 4.9 28.9 26.5 123 126 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 110.5 52.0 -63.1 -40.6 8.4 30.6 26.8 124 127 A F H < S+ 0 0 3 -4,-1.8 -1,-0.2 -5,-0.2 5,-0.2 0.914 116.6 39.2 -62.1 -43.9 8.8 29.5 30.4 125 128 A M H >< S+ 0 0 75 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.881 116.6 49.0 -75.3 -39.5 8.0 25.9 29.6 126 129 A K H 3< S+ 0 0 144 -4,-2.9 2,-0.4 1,-0.3 -2,-0.2 0.878 122.3 32.6 -69.1 -40.3 9.8 25.7 26.3 127 130 A Y T 3< S- 0 0 38 -4,-2.2 2,-0.8 -5,-0.2 -1,-0.3 -0.561 87.2-178.8-114.3 64.1 13.1 27.2 27.6 128 131 A N <> - 0 0 46 -3,-0.7 4,-1.6 -2,-0.4 -3,-0.1 -0.532 17.3-174.6 -75.0 106.8 12.8 25.8 31.1 129 132 A V H > S+ 0 0 1 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.847 82.8 60.9 -68.1 -33.4 15.7 27.0 33.3 130 133 A D H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 106.3 46.6 -59.9 -44.2 14.6 24.8 36.3 131 134 A K H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 110.9 53.0 -64.4 -39.6 15.0 21.7 34.2 132 135 A A H X S+ 0 0 9 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.954 111.8 44.4 -61.2 -50.3 18.4 22.8 32.9 133 136 A L H X>S+ 0 0 2 -4,-2.6 5,-3.0 1,-0.2 4,-0.7 0.914 112.3 51.4 -62.1 -45.0 19.8 23.4 36.4 134 137 A E H ><5S+ 0 0 69 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.902 107.3 54.4 -59.0 -41.5 18.4 20.2 37.7 135 138 A D H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.3 47.8 -61.0 -34.7 20.0 18.3 34.8 136 139 A A H 3<5S- 0 0 63 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.547 121.3-108.1 -83.9 -7.8 23.4 19.8 35.8 137 140 A G T <<5S+ 0 0 44 -3,-1.0 2,-0.8 -4,-0.7 -3,-0.2 0.688 73.3 140.0 88.9 17.8 22.9 19.0 39.4 138 141 A I < + 0 0 8 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.3 -0.858 26.4 158.3 -98.1 107.5 22.3 22.6 40.5 139 142 A V - 0 0 54 -2,-0.8 62,-0.2 -3,-0.1 -103,-0.1 -0.905 48.3 -76.2-131.4 159.8 19.6 22.4 43.1 140 143 A A + 0 0 21 -105,-0.4 2,-0.3 -2,-0.3 63,-0.1 -0.215 59.1 161.5 -52.7 136.9 18.2 24.5 46.0 141 144 A S - 0 0 10 60,-3.1 60,-0.4 3,-0.1 -1,-0.0 -0.953 39.5-160.4-162.9 140.0 20.4 24.2 49.1 142 145 A N S S+ 0 0 111 -2,-0.3 -1,-0.1 60,-0.2 -2,-0.0 0.549 96.3 45.6 -98.3 -9.7 21.1 26.1 52.3 143 146 A S S S+ 0 0 118 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.645 103.9 61.1-108.2 -19.1 24.5 24.6 52.9 144 147 A K - 0 0 96 57,-0.1 57,-0.5 2,-0.0 2,-0.3 -0.889 60.0-154.0-117.8 144.9 26.2 24.8 49.6 145 148 A M E -G 200 0D 112 -2,-0.4 2,-0.3 55,-0.1 55,-0.2 -0.716 17.1-137.8-104.7 159.9 27.2 27.6 47.3 146 149 A Y E -G 199 0D 22 53,-3.5 53,-2.9 -2,-0.3 2,-0.3 -0.915 20.0-107.3-123.5 149.9 27.7 27.4 43.6 147 150 A D E >> -G 198 0D 56 -2,-0.3 4,-1.2 51,-0.2 3,-1.0 -0.557 28.8-135.9 -70.5 127.0 30.2 28.7 41.1 148 151 A L H >> S+ 0 0 37 49,-3.0 4,-2.1 -2,-0.3 3,-0.8 0.923 103.7 59.0 -49.7 -46.8 28.4 31.5 39.2 149 152 A K H 3> S+ 0 0 106 48,-0.3 4,-2.6 1,-0.3 -1,-0.3 0.797 97.2 59.0 -53.3 -37.1 29.9 30.1 36.0 150 153 A D H <> S+ 0 0 94 -3,-1.0 4,-1.5 2,-0.2 -1,-0.3 0.894 108.6 45.3 -62.2 -40.0 28.3 26.7 36.5 151 154 A I H S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.5 0.938 116.0 47.7 -66.2 -47.6 21.3 28.0 31.1 156 159 A E H X5S+ 0 0 62 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.910 112.5 49.7 -60.2 -43.2 23.3 29.0 28.0 157 160 A S H <5S+ 0 0 98 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.866 119.8 37.1 -64.0 -36.5 23.8 25.3 27.0 158 161 A A H <5S+ 0 0 64 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.862 128.6 30.1 -84.7 -39.0 20.1 24.5 27.5 159 162 A V H <5S- 0 0 16 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.738 97.6-127.1 -92.8 -27.1 18.5 27.7 26.2 160 163 A G S < - 0 0 22 4,-2.5 3,-1.2 -2,-0.3 -1,-0.1 -0.242 46.9 -89.7 -83.5-174.1 21.3 40.6 46.5 169 172 A E T 3 S+ 0 0 195 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.595 124.3 59.8 -77.2 -8.8 24.3 41.9 48.5 170 173 A E T 3 S- 0 0 120 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.322 123.1-100.0 -96.7 5.9 24.8 38.7 50.6 171 174 A G S < S+ 0 0 5 -3,-1.2 29,-1.8 1,-0.3 2,-0.4 0.695 74.4 144.0 85.9 19.2 25.3 36.7 47.4 172 175 A L B -h 200 0D 19 27,-0.2 -4,-2.5 29,-0.1 2,-0.3 -0.783 54.1-118.0 -94.2 135.8 21.8 35.2 47.0 173 176 A V E + C 0 167A 1 27,-2.0 -159,-0.3 -2,-0.4 -6,-0.3 -0.558 39.2 167.9 -70.6 126.1 20.4 34.7 43.6 174 177 A Q E + 0 0 74 -8,-3.0 -163,-2.4 1,-0.4 2,-0.3 0.811 57.2 8.8-105.7 -47.5 17.3 36.9 43.2 175 178 A K E -AC 10 166A 58 -9,-1.9 -9,-2.3 -165,-0.2 2,-0.4 -0.963 47.8-164.6-140.1 154.7 16.4 37.0 39.6 176 179 A L E -AC 9 165A 0 -167,-2.2 -167,-2.1 -2,-0.3 2,-0.4 -0.988 17.2-164.9-139.0 124.7 17.3 35.4 36.3 177 180 A S E -AC 8 164A 6 -13,-2.5 -13,-2.2 -2,-0.4 2,-0.4 -0.906 7.2-158.1-117.4 143.4 16.2 37.0 33.0 178 181 A L E -A 7 0A 4 -171,-2.1 -171,-2.9 -2,-0.4 2,-0.3 -0.912 13.4-143.1-115.3 144.5 16.1 35.6 29.5 179 182 A g E -AD 6 187A 5 8,-0.6 8,-2.3 -2,-0.4 2,-0.3 -0.838 18.6-179.6-110.0 145.6 16.1 37.8 26.4 180 183 A F E -AD 5 186A 0 -175,-2.3 -175,-3.0 -2,-0.3 2,-0.1 -0.982 21.9-125.0-140.2 152.5 14.2 37.2 23.2 181 184 A D E > -A 4 0A 24 4,-2.2 3,-2.5 -2,-0.3 -177,-0.2 -0.272 47.9 -84.6 -87.7-178.7 13.7 38.9 19.8 182 185 A K T 3 S+ 0 0 79 -179,-0.6 -178,-0.1 1,-0.3 -1,-0.1 0.756 132.5 55.4 -57.1 -26.2 10.4 39.9 18.2 183 186 A D T 3 S- 0 0 111 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.275 118.1-115.3 -89.7 9.9 10.1 36.3 16.9 184 187 A F < + 0 0 26 -3,-2.5 -2,-0.1 1,-0.2 -180,-0.0 0.799 68.0 142.2 62.0 30.4 10.5 35.0 20.4 185 188 A K - 0 0 109 1,-0.1 -4,-2.2 0, 0.0 -1,-0.2 -0.827 59.7 -95.8 -98.7 142.8 13.9 33.3 19.6 186 189 A P E -D 180 0A 21 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.240 44.0-178.5 -59.5 144.0 16.5 33.4 22.4 187 190 A R E -D 179 0A 109 -8,-2.3 -8,-0.6 -25,-0.1 -26,-0.1 -0.993 36.5 -94.5-142.4 143.3 19.1 36.2 22.3 188 191 A D - 0 0 97 -2,-0.3 2,-0.2 -28,-0.1 -10,-0.1 -0.317 41.7-131.0 -57.9 139.6 22.0 36.9 24.6 189 192 A g - 0 0 3 -27,-2.4 2,-0.1 -12,-0.1 -27,-0.1 -0.565 35.5 -85.0 -87.5 158.7 21.1 39.5 27.3 190 193 A V - 0 0 101 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.403 53.5-102.7 -64.2 137.2 23.3 42.5 27.9 191 194 A Q - 0 0 137 -2,-0.1 2,-0.3 -27,-0.1 -1,-0.1 -0.296 44.8-175.6 -61.5 143.0 26.2 41.6 30.4 192 195 A V - 0 0 60 -3,-0.1 2,-0.7 -27,-0.1 3,-0.2 -0.988 25.1-133.4-142.6 151.0 25.7 42.9 33.9 193 196 A G + 0 0 79 -2,-0.3 -27,-0.0 1,-0.1 -2,-0.0 -0.902 61.6 106.5-107.8 109.7 27.8 42.9 37.1 194 197 A S + 0 0 44 -2,-0.7 -1,-0.1 1,-0.3 -28,-0.1 0.467 56.6 68.7-143.5 -51.8 25.8 41.8 40.2 195 198 A f S S- 0 0 22 -30,-0.3 -1,-0.3 -3,-0.2 4,-0.1 -0.557 70.3-129.8 -85.4 143.9 26.6 38.4 41.5 196 199 A P - 0 0 64 0, 0.0 -48,-0.1 0, 0.0 -1,-0.1 -0.184 40.8 -89.0 -77.8-179.7 29.9 37.4 43.1 197 200 A R S S+ 0 0 165 -50,-0.1 -49,-3.0 1,-0.1 2,-0.4 0.818 115.9 43.1 -63.1 -34.1 31.9 34.4 42.0 198 201 A Y E S+G 147 0D 124 -51,-0.2 2,-0.3 -50,-0.1 -51,-0.2 -0.954 74.6 179.1-117.1 134.8 30.1 32.1 44.4 199 202 A V E -G 146 0D 0 -53,-2.9 -53,-3.5 -2,-0.4 2,-0.4 -0.847 18.7-131.9-130.6 166.5 26.3 32.2 44.9 200 203 A S E -Gh 145 172D 20 -29,-1.8 -27,-2.0 -2,-0.3 -55,-0.1 -0.941 5.3-162.2-124.8 145.3 23.6 30.5 46.9 201 204 A L - 0 0 2 -57,-0.5 -60,-3.1 -60,-0.4 -57,-0.1 -0.791 27.5-162.4-120.5 79.4 20.2 29.1 45.9 202 205 A P - 0 0 15 0, 0.0 -189,-0.3 0, 0.0 -188,-0.2 -0.247 15.7-117.4 -65.8 153.1 18.4 28.8 49.2 203 206 A E - 0 0 88 -190,-0.1 3,-0.1 1,-0.1 -62,-0.0 -0.451 42.8 -83.7 -84.3 163.0 15.4 26.7 49.7 204 207 A I - 0 0 40 -2,-0.1 -191,-0.1 1,-0.1 -1,-0.1 -0.499 55.8-107.3 -66.2 131.3 12.0 28.2 50.7 205 208 A P 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -187,-0.0 -0.357 360.0 360.0 -62.1 139.1 12.1 28.6 54.5 206 209 A D 0 0 222 -3,-0.1 -187,-0.1 -177,-0.0 -177,-0.0 -0.427 360.0 360.0 -78.8 360.0 9.8 26.1 56.4