==== 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 19-NOV-10 3PNU . COMPND 2 MOLECULE: DIHYDROOROTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI SUBSP. JEJUNI; . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.PAPA . 672 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 3 0.4 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 . 2 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 . 55 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 0 2 0 5 2 2 2 0 6 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 12 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 PARALLEL BRIDGES PER LADDER . 2 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 3 1 1 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 -8 A E 0 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.9 48.7 4.1 49.9 2 -7 A N + 0 0 161 2,-0.0 2,-0.4 0, 0.0 0, 0.0 0.736 360.0 54.6 -59.4 -23.8 52.4 3.5 48.8 3 -6 A L + 0 0 128 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.894 67.3 168.0-117.2 141.9 52.2 0.2 50.7 4 -5 A Y - 0 0 144 -2,-0.4 4,-0.1 2,-0.0 2,-0.0 -0.991 21.0-119.0-148.5 164.0 49.7 -2.7 50.3 5 -4 A F - 0 0 170 -2,-0.3 4,-0.2 2,-0.2 0, 0.0 -0.109 61.0 -29.6-104.6-169.8 49.1 -6.4 51.2 6 -3 A Q S S- 0 0 173 2,-0.1 2,-0.3 301,-0.0 -2,-0.0 0.385 120.9 -22.1 -10.2 -69.2 48.6 -9.9 49.8 7 -2 A S S S- 0 0 20 299,-0.0 2,-1.8 302,-0.0 -2,-0.2 -0.907 96.9 -66.5-132.5 169.2 47.1 -8.8 46.5 8 -1 A N - 0 0 33 -2,-0.3 2,-2.5 1,-0.1 298,-0.2 -0.289 53.2-156.9 -53.8 82.3 45.3 -5.6 45.7 9 0 A A + 0 0 58 -2,-1.8 2,-0.5 -4,-0.2 298,-0.2 -0.378 23.1 171.8 -70.6 77.6 42.4 -6.2 48.0 10 1 A M E -A 306 0A 6 -2,-2.5 296,-2.8 296,-1.7 2,-0.4 -0.796 15.7-158.8 -93.0 122.3 40.0 -3.8 46.2 11 2 A K E -A 305 0A 110 -2,-0.5 2,-0.4 294,-0.2 294,-0.2 -0.845 4.7-165.1-102.6 137.7 36.3 -4.0 47.4 12 3 A L E -A 304 0A 1 292,-3.2 292,-2.7 -2,-0.4 2,-0.5 -0.978 11.0-147.0-121.0 133.0 33.4 -2.8 45.3 13 4 A K E -A 303 0A 92 -2,-0.4 290,-0.2 290,-0.2 275,-0.1 -0.893 65.8 -24.0-108.8 123.9 30.0 -2.2 46.8 14 5 A N S S- 0 0 6 288,-1.9 -1,-0.2 -2,-0.5 289,-0.1 0.900 74.4-155.5 49.1 55.8 26.7 -2.8 45.0 15 6 A P - 0 0 1 0, 0.0 25,-2.0 0, 0.0 26,-0.9 -0.342 6.7-156.4 -61.0 138.4 27.9 -2.5 41.4 16 7 A L E -c 41 0B 1 270,-3.0 2,-0.7 23,-0.2 26,-0.2 -0.954 14.9-156.5-120.6 135.9 25.2 -1.6 39.0 17 8 A D E -c 42 0B 0 24,-2.0 26,-2.1 -2,-0.4 227,-0.2 -0.919 12.5-172.8-107.6 102.4 25.1 -2.2 35.3 18 9 A M E S+ 0 0 4 225,-2.3 226,-0.2 -2,-0.7 2,-0.2 0.312 72.0 40.1 -83.1 11.5 22.7 0.5 34.0 19 10 A H E S+ 0 0 0 224,-0.1 227,-2.7 175,-0.1 228,-0.7 -0.662 73.6 152.6-158.4 98.8 22.5 -0.8 30.4 20 11 A L E -cd 44 247B 2 23,-2.0 25,-2.7 226,-0.2 2,-0.5 -0.986 31.6-152.8-139.3 140.1 22.3 -4.5 29.7 21 12 A H + 0 0 6 226,-1.9 23,-0.1 -2,-0.4 -2,-0.0 -0.945 18.4 167.2-109.5 119.9 20.9 -6.9 27.0 22 13 A L - 0 0 3 -2,-0.5 10,-0.2 23,-0.3 9,-0.2 0.354 26.4-158.3-110.4 -0.6 20.0 -10.4 28.3 23 14 A R - 0 0 35 22,-0.1 2,-0.3 4,-0.1 -1,-0.3 -0.262 25.4 -97.3 57.2-135.5 18.1 -11.6 25.2 24 15 A D S >> S+ 0 0 30 40,-0.0 4,-1.4 24,-0.0 3,-1.2 -0.960 70.0 18.5-164.8 179.6 15.7 -14.5 26.0 25 16 A N H 3> S- 0 0 96 -2,-0.3 4,-1.4 1,-0.3 3,-0.1 -0.129 125.2 -5.7 49.5-128.7 14.9 -18.2 26.0 26 17 A Q H 3> S+ 0 0 77 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.833 135.1 57.0 -67.1 -34.7 18.0 -20.3 25.8 27 18 A M H X> S+ 0 0 18 -3,-1.2 4,-2.3 1,-0.2 3,-0.7 0.920 104.4 53.6 -62.0 -44.4 20.4 -17.3 25.3 28 19 A L H 3X S+ 0 0 3 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.936 103.9 55.5 -54.5 -49.0 19.2 -15.7 28.5 29 20 A E H 3< S+ 0 0 105 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.754 112.1 45.3 -57.5 -26.5 20.0 -19.0 30.5 30 21 A L H << S+ 0 0 25 -4,-1.0 4,-0.3 -3,-0.7 -1,-0.2 0.901 123.4 27.0 -85.7 -45.4 23.6 -18.8 29.2 31 22 A I H >X S+ 0 0 2 -4,-2.3 3,-1.3 -9,-0.2 4,-0.9 0.811 101.7 76.8 -90.4 -32.9 24.6 -15.1 29.7 32 23 A A H >X S+ 0 0 1 -4,-2.5 4,-3.0 -5,-0.3 3,-1.1 0.868 94.5 52.9 -48.1 -47.3 22.4 -14.0 32.6 33 24 A P H 3> S+ 0 0 44 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.821 98.7 64.1 -58.8 -31.4 24.6 -15.7 35.2 34 25 A L H <4 S+ 0 0 30 -3,-1.3 4,-0.3 -4,-0.3 -2,-0.2 0.799 116.2 29.3 -65.4 -25.8 27.6 -14.0 33.8 35 26 A S H XX S+ 0 0 2 -3,-1.1 4,-2.1 -4,-0.9 3,-0.8 0.841 113.8 60.4 -95.4 -47.4 26.2 -10.6 34.9 36 27 A A H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 37,-0.1 0.756 103.2 55.8 -54.6 -28.8 24.1 -11.7 37.9 37 28 A R T 3< S+ 0 0 82 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 0.866 115.9 32.8 -73.1 -38.7 27.2 -13.0 39.5 38 29 A D T <4 S+ 0 0 2 -3,-0.8 2,-0.3 -4,-0.3 -2,-0.2 0.623 116.4 56.0 -96.9 -13.3 29.2 -9.7 39.3 39 30 A F < - 0 0 0 -4,-2.1 -23,-0.2 1,-0.1 3,-0.1 -0.904 59.3-151.3-123.0 149.1 26.3 -7.2 39.7 40 31 A C S S- 0 0 5 -25,-2.0 35,-3.3 -2,-0.3 2,-0.3 0.684 87.3 -3.9 -85.5 -19.3 23.6 -6.6 42.4 41 32 A A E -ce 16 75B 6 -26,-0.9 -24,-2.0 33,-0.3 2,-0.3 -0.979 61.1-165.8-165.6 159.5 21.3 -5.2 39.7 42 33 A A E -ce 17 76B 0 33,-1.4 35,-3.6 -2,-0.3 2,-0.5 -0.986 30.3-115.3-154.9 140.6 21.1 -4.2 36.0 43 34 A V E - e 0 77B 1 -26,-2.1 -23,-2.0 -2,-0.3 2,-0.6 -0.709 36.4-147.3 -75.1 124.1 18.8 -2.2 33.8 44 35 A I E -ce 20 78B 2 33,-2.9 35,-0.6 -2,-0.5 -23,-0.2 -0.863 9.3-136.2 -99.8 114.8 17.4 -4.8 31.4 45 36 A M - 0 0 1 -25,-2.7 -23,-0.3 -2,-0.6 -22,-0.1 -0.437 3.9-142.3 -73.7 147.4 16.7 -3.4 27.9 46 37 A P + 0 0 0 0, 0.0 2,-2.8 0, 0.0 6,-1.4 0.143 55.8 128.3 -97.7 18.2 13.5 -4.4 26.3 47 38 A N + 0 0 8 4,-0.2 2,-0.2 33,-0.1 -2,-0.1 -0.342 38.0 138.0 -76.6 63.4 14.6 -4.8 22.6 48 39 A L - 0 0 15 -2,-2.8 -24,-0.0 2,-0.1 33,-0.0 -0.541 64.1 -78.5 -98.8 170.7 13.1 -8.3 22.3 49 40 A I S S+ 0 0 140 1,-0.2 -2,-0.1 -2,-0.2 61,-0.0 -0.931 131.3 19.6-114.6 104.6 11.2 -9.8 19.3 50 41 A P S S- 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.655 114.3-116.1 -79.0 166.3 8.5 -8.6 19.7 51 42 A P - 0 0 41 0, 0.0 2,-0.5 0, 0.0 -4,-0.2 -0.429 31.6 -97.9 -73.5 143.0 9.5 -5.7 22.0 52 43 A L + 0 0 9 -6,-1.4 29,-3.2 1,-0.2 3,-0.1 -0.398 59.5 150.3 -59.8 108.2 8.2 -5.6 25.6 53 44 A C + 0 0 34 -2,-0.5 2,-0.3 27,-0.2 -1,-0.2 0.180 54.3 47.7-128.3 14.5 5.2 -3.2 25.3 54 45 A N S > S- 0 0 51 1,-0.1 4,-1.8 39,-0.0 3,-0.1 -0.991 77.6-116.6-154.2 154.8 2.9 -4.5 28.1 55 46 A L H > S+ 0 0 35 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.843 108.5 59.0 -59.7 -39.3 3.1 -5.5 31.8 56 47 A E H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 110.5 41.0 -56.8 -51.3 2.1 -9.1 31.3 57 48 A D H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.852 113.9 54.3 -67.9 -34.4 5.0 -9.8 29.0 58 49 A L H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.942 110.2 46.0 -64.6 -48.9 7.4 -7.8 31.2 59 50 A K H X S+ 0 0 120 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.941 112.3 52.4 -56.7 -48.3 6.4 -9.8 34.2 60 51 A A H X S+ 0 0 38 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.918 111.9 44.4 -53.7 -49.2 6.8 -13.0 32.1 61 52 A Y H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.895 111.2 54.4 -64.8 -41.8 10.3 -12.0 31.0 62 53 A K H X S+ 0 0 69 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.953 106.9 51.0 -56.2 -50.9 11.3 -10.9 34.5 63 54 A M H X S+ 0 0 106 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.940 109.8 50.5 -52.5 -48.7 10.2 -14.4 35.8 64 55 A R H X S+ 0 0 92 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.899 110.9 49.0 -57.6 -41.8 12.4 -15.9 33.1 65 56 A I H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.953 108.8 52.7 -62.5 -49.6 15.3 -13.7 34.1 66 57 A L H X S+ 0 0 78 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.874 111.3 46.4 -54.8 -41.9 14.9 -14.6 37.8 67 58 A K H < S+ 0 0 166 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.942 108.8 55.1 -63.8 -47.8 15.0 -18.4 37.0 68 59 A A H < S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.735 110.7 45.6 -58.2 -26.8 18.0 -18.0 34.8 69 60 A C H >< S+ 0 0 9 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.796 85.2 170.7 -85.7 -35.3 20.0 -16.3 37.6 70 61 A K T 3< + 0 0 168 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.1 -0.381 64.6 9.7 64.5-124.3 18.9 -18.9 40.2 71 62 A D T 3 S+ 0 0 145 -2,-0.2 -1,-0.2 -4,-0.1 2,-0.1 0.384 99.8 113.8 -73.4 0.9 20.8 -18.5 43.5 72 63 A E S < S- 0 0 70 -3,-1.0 2,-1.0 1,-0.1 -35,-0.1 -0.460 72.3-121.7 -78.1 146.1 22.5 -15.2 42.7 73 64 A N + 0 0 71 -2,-0.1 2,-0.3 -37,-0.1 -1,-0.1 -0.787 62.0 136.7 -83.9 104.0 21.7 -12.0 44.6 74 65 A F - 0 0 14 -2,-1.0 -33,-0.3 2,-0.0 -34,-0.1 -0.886 42.2-157.6-159.9 121.7 20.6 -9.9 41.6 75 66 A T E -e 41 0B 78 -35,-3.3 -33,-1.4 -2,-0.3 2,-0.4 -0.881 16.2-148.1-105.1 112.4 17.7 -7.5 41.0 76 67 A P E -e 42 0B 5 0, 0.0 2,-0.9 0, 0.0 -33,-0.2 -0.654 9.0-144.6 -78.5 126.1 16.9 -7.0 37.3 77 68 A L E -e 43 0B 32 -35,-3.6 -33,-2.9 -2,-0.4 20,-0.1 -0.814 24.4-145.1 -95.4 107.1 15.6 -3.4 36.6 78 69 A M E -e 44 0B 5 -2,-0.9 20,-3.3 18,-0.3 21,-1.1 -0.316 17.7-171.7 -79.6 150.3 12.9 -3.8 34.0 79 70 A T E -g 99 0C 0 -35,-0.6 2,-0.3 18,-0.2 21,-0.2 -0.969 16.1-135.8-137.7 155.6 12.0 -1.5 31.1 80 71 A L E -g 100 0C 0 19,-1.4 21,-2.5 -2,-0.3 2,-0.3 -0.759 32.0-107.5-104.0 153.9 9.4 -1.2 28.5 81 72 A F E -g 101 0C 5 -29,-3.2 21,-0.2 -2,-0.3 2,-0.1 -0.642 48.6-101.8 -78.8 133.1 10.0 -0.3 24.8 82 73 A F + 0 0 2 19,-2.9 2,-0.3 -2,-0.3 21,-0.2 -0.323 59.7 133.8 -67.9 140.9 8.9 3.2 24.1 83 74 A K S S- 0 0 109 -2,-0.1 2,-2.2 19,-0.1 32,-0.1 -0.883 71.3 -65.0-163.3 178.7 5.7 4.0 22.4 84 75 A N + 0 0 67 -2,-0.3 -2,-0.1 42,-0.0 40,-0.0 -0.246 62.9 175.8 -76.4 55.8 2.9 6.6 23.1 85 76 A Y - 0 0 7 -2,-2.2 2,-0.2 1,-0.1 -3,-0.0 -0.193 23.6-128.3 -58.0 150.6 1.6 5.1 26.4 86 77 A D > - 0 0 92 1,-0.1 4,-2.2 43,-0.1 5,-0.2 -0.517 24.1-101.5 -96.9 170.4 -1.1 7.1 28.2 87 78 A E H > S+ 0 0 98 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.923 119.5 55.4 -57.7 -47.6 -1.2 8.3 31.8 88 79 A K H > S+ 0 0 174 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.916 111.1 44.0 -54.0 -46.9 -3.5 5.5 32.9 89 80 A F H > S+ 0 0 47 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.896 113.5 50.9 -66.5 -39.2 -1.2 2.8 31.6 90 81 A L H >X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.7 0.886 104.7 57.1 -65.8 -40.0 1.9 4.5 33.0 91 82 A Y H 3< S+ 0 0 140 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.845 107.4 48.3 -60.9 -34.4 0.4 4.9 36.5 92 83 A S H 3< S+ 0 0 67 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.689 116.6 43.5 -78.9 -17.7 -0.2 1.1 36.7 93 84 A A H XX S+ 0 0 0 -4,-0.8 4,-1.9 -3,-0.7 3,-1.8 0.638 82.5 95.1-101.9 -16.3 3.4 0.4 35.5 94 85 A K T 3< S+ 0 0 63 -4,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.734 92.3 41.0 -49.4 -33.1 5.5 2.9 37.6 95 86 A D T 34 S+ 0 0 126 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.566 114.6 52.7 -94.1 -11.3 6.3 0.4 40.4 96 87 A E T <4 S+ 0 0 92 -3,-1.8 2,-0.4 1,-0.1 -18,-0.3 0.695 108.2 53.7 -92.1 -24.3 6.9 -2.5 38.0 97 88 A I < - 0 0 14 -4,-1.9 -18,-0.2 1,-0.1 3,-0.1 -0.884 55.5-157.3-121.4 149.3 9.4 -0.7 35.7 98 89 A F S S- 0 0 31 -20,-3.3 2,-0.3 -2,-0.4 -19,-0.2 0.843 77.4 -30.0 -81.8 -42.3 12.6 1.1 36.2 99 90 A G E -g 79 0C 0 -21,-1.1 -19,-1.4 36,-0.1 2,-0.5 -0.968 54.1-106.6-164.0 176.8 12.4 3.1 32.9 100 91 A I E -gh 80 137C 0 36,-1.9 38,-2.4 -2,-0.3 2,-0.5 -0.990 31.7-144.5-119.7 126.3 11.1 3.3 29.3 101 92 A X E -gh 81 138C 3 -21,-2.5 -19,-2.9 -2,-0.5 2,-0.6 -0.832 6.5-151.6 -99.7 121.0 13.7 3.0 26.6 102 93 A L E - h 0 139C 1 36,-3.5 38,-2.5 -2,-0.5 12,-0.1 -0.803 11.9-174.9 -95.4 119.9 13.3 5.0 23.4 103 94 A Y - 0 0 1 -2,-0.6 12,-2.2 -21,-0.2 2,-0.2 -0.965 25.8-127.3-110.6 122.6 14.8 3.5 20.2 104 95 A P B > -l 115 0D 7 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.521 51.8 -74.2 -67.0 140.8 14.6 5.7 17.1 105 96 A A T 3 S- 0 0 32 10,-4.4 7,-0.2 1,-0.2 8,-0.1 -0.056 105.6 -18.1 -42.9 119.4 13.0 3.8 14.2 106 97 A G T 3 S+ 0 0 46 5,-1.6 -1,-0.2 -3,-0.1 6,-0.1 0.840 96.4 121.4 49.2 49.7 15.3 1.1 12.7 107 98 A I S < S+ 0 0 9 -3,-1.2 2,-0.2 4,-0.1 -2,-0.1 0.762 74.0 7.6-105.5 -34.5 18.6 2.4 14.1 108 99 A T S S- 0 0 30 -4,-0.4 3,-0.5 1,-0.1 2,-0.5 -0.550 105.6 -38.1-132.4-166.1 19.9 -0.6 16.1 109 100 A T S S- 0 0 38 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.498 123.0 -3.3 -66.2 113.3 19.1 -4.3 16.9 110 101 A N S S+ 0 0 48 -2,-0.5 -1,-0.2 -59,-0.0 -7,-0.0 0.996 90.6 123.8 66.3 70.7 15.3 -4.8 17.1 111 102 A S > + 0 0 1 -3,-0.5 3,-2.6 3,-0.1 -5,-1.6 0.224 24.3 115.3-139.7 11.0 14.0 -1.3 16.6 112 103 A N T 3 S+ 0 0 148 1,-0.3 -7,-0.1 -7,-0.2 -3,-0.0 0.790 82.7 51.3 -58.8 -28.9 11.6 -1.5 13.6 113 104 A G T 3 S+ 0 0 58 -9,-0.1 -1,-0.3 -8,-0.1 -8,-0.1 0.177 95.0 124.9 -90.9 17.4 8.7 -0.6 15.9 114 105 A G S < S- 0 0 16 -3,-2.6 2,-0.2 1,-0.2 -3,-0.1 0.050 72.1 -70.8 -72.8 179.5 10.7 2.4 17.1 115 106 A V B +l 104 0D 10 -12,-2.2 -10,-4.4 1,-0.1 -1,-0.2 -0.515 39.6 178.9 -73.8 135.6 9.9 6.1 17.2 116 107 A S + 0 0 101 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.216 65.6 46.2-120.7 10.2 9.9 7.8 13.8 117 108 A S - 0 0 43 2,-0.1 -1,-0.2 1,-0.0 -12,-0.0 -0.962 47.6-168.1-157.4 135.7 9.0 11.2 15.0 118 109 A F + 0 0 32 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.0 -0.109 38.3 150.9-112.6 31.6 10.1 13.6 17.7 119 110 A D > - 0 0 85 1,-0.1 4,-1.6 2,-0.0 5,-0.2 -0.463 47.7-134.0 -62.1 129.6 7.2 16.0 17.2 120 111 A I H > S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.885 100.3 44.6 -59.5 -43.8 6.5 17.6 20.5 121 112 A E H 4 S+ 0 0 123 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.890 108.6 57.6 -69.9 -37.8 2.7 17.2 20.6 122 113 A Y H 4 S+ 0 0 106 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.900 119.1 31.2 -56.8 -41.3 2.9 13.6 19.4 123 114 A L H X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.1 5,-0.3 0.625 97.1 93.4 -92.6 -13.9 5.1 12.8 22.4 124 115 A K H X S+ 0 0 54 -4,-1.5 4,-2.4 1,-0.2 5,-0.3 0.887 80.4 49.6 -52.4 -53.8 3.7 15.3 25.0 125 116 A P H > S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.931 116.7 42.9 -53.3 -48.0 1.1 13.3 26.8 126 117 A T H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.928 114.8 46.9 -63.6 -49.6 3.4 10.4 27.4 127 118 A L H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.808 112.1 52.0 -67.0 -28.7 6.5 12.4 28.4 128 119 A E H X S+ 0 0 77 -4,-2.4 4,-3.0 -5,-0.3 -1,-0.2 0.888 110.0 47.4 -72.9 -40.3 4.4 14.5 30.8 129 120 A A H X S+ 0 0 4 -4,-1.8 4,-3.4 -5,-0.3 -2,-0.2 0.936 112.7 50.3 -64.0 -44.6 3.0 11.5 32.5 130 121 A M H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 -2,-0.2 0.888 111.8 48.8 -59.1 -38.7 6.5 10.1 32.8 131 122 A S H ><5S+ 0 0 12 -4,-1.8 3,-1.5 3,-0.2 -2,-0.2 0.966 113.6 44.6 -65.3 -53.1 7.6 13.4 34.2 132 123 A D H 3<5S+ 0 0 115 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.906 116.3 47.3 -57.4 -44.9 4.7 13.5 36.8 133 124 A L T 3<5S- 0 0 34 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.298 111.1-120.8 -81.8 6.5 5.2 9.8 37.7 134 125 A N T < 5 + 0 0 113 -3,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.847 60.2 151.2 56.5 35.2 9.0 10.2 38.0 135 126 A I < - 0 0 8 -5,-3.0 34,-0.4 -6,-0.2 2,-0.2 -0.844 40.3-130.9 -95.8 133.4 9.7 7.6 35.3 136 127 A P - 0 0 8 0, 0.0 -36,-1.9 0, 0.0 2,-0.6 -0.603 4.8-133.7 -88.4 149.4 12.9 8.2 33.4 137 128 A L E -hi 100 170C 0 32,-2.9 34,-3.1 -2,-0.2 2,-0.5 -0.913 18.2-165.1-102.9 116.1 13.4 8.2 29.6 138 129 A L E -hi 101 171C 1 -38,-2.4 -36,-3.5 -2,-0.6 2,-0.4 -0.878 15.1-165.4 -99.0 132.2 16.4 6.1 28.5 139 130 A V E -hi 102 172C 1 32,-2.4 34,-1.9 -2,-0.5 2,-1.1 -0.963 31.2-143.7-131.5 137.8 17.3 6.9 24.9 140 131 A H - 0 0 1 -38,-2.5 2,-1.5 -2,-0.4 34,-0.1 -0.849 35.8-150.7 -90.3 98.9 19.5 5.3 22.2 141 132 A G + 0 0 3 -2,-1.1 2,-0.3 32,-0.4 13,-0.3 -0.526 45.3 115.0 -83.5 81.3 20.6 8.7 20.8 142 133 A E - 0 0 1 -2,-1.5 9,-0.2 12,-0.1 8,-0.1 -0.994 43.5-154.8-147.3 137.7 21.4 8.3 17.1 143 134 A T - 0 0 22 7,-1.5 11,-0.1 -2,-0.3 7,-0.1 -0.217 36.0-105.7 -91.1-171.0 19.8 9.7 13.9 144 135 A N S S+ 0 0 105 -2,-0.1 3,-0.1 5,-0.1 6,-0.1 0.098 81.6 113.6-106.1 17.6 20.0 8.0 10.5 145 136 A D S S- 0 0 69 1,-0.2 5,-0.2 5,-0.1 0, 0.0 0.033 84.6 -35.6 -72.7-172.0 22.6 10.5 9.1 146 137 A F >> - 0 0 11 1,-0.1 3,-2.6 3,-0.1 4,-0.6 -0.264 69.5-114.5 -50.5 132.1 26.2 9.6 8.2 147 138 A V G >4 S+ 0 0 3 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.735 112.3 51.1 -45.3 -41.6 27.4 6.9 10.6 148 139 A M G 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.672 115.6 44.0 -74.6 -14.4 30.1 9.0 12.3 149 140 A D G <> S+ 0 0 42 -3,-2.6 4,-2.6 1,-0.1 5,-0.3 0.370 80.2 101.6-108.5 1.4 27.6 11.9 12.9 150 141 A R T << S+ 0 0 21 -3,-0.7 -7,-1.5 -4,-0.6 4,-0.5 0.877 88.5 39.1 -57.2 -40.6 24.6 10.0 14.1 151 142 A E T >> S+ 0 0 3 -4,-0.3 3,-0.9 -9,-0.2 4,-0.6 0.935 115.8 48.4 -77.8 -48.2 25.1 10.8 17.8 152 143 A S G >4 S+ 0 0 36 -4,-0.3 3,-1.1 1,-0.3 4,-0.3 0.884 111.2 52.2 -60.2 -35.8 26.3 14.4 17.5 153 144 A N G >< S+ 0 0 51 -4,-2.6 3,-0.5 1,-0.2 4,-0.3 0.719 101.5 61.8 -72.1 -18.4 23.4 15.2 15.2 154 145 A F G X> S+ 0 0 1 -3,-0.9 4,-1.9 -4,-0.5 3,-0.7 0.622 81.0 87.3 -80.0 -12.0 21.1 13.7 17.8 155 146 A A H S+ 0 0 130 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.3 0.837 106.9 52.2 -63.7 -32.1 19.6 18.9 19.1 157 148 A I H <> S+ 0 0 21 -3,-0.7 4,-2.5 -4,-0.3 5,-0.3 0.963 109.0 46.5 -68.5 -53.5 16.9 16.3 19.8 158 149 A Y H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.851 112.3 55.0 -53.2 -35.1 18.0 15.7 23.4 159 150 A E H X S+ 0 0 63 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.929 108.7 44.4 -68.5 -43.6 18.2 19.4 23.8 160 151 A K H X S+ 0 0 68 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.901 112.5 51.8 -70.7 -37.8 14.6 20.1 22.7 161 152 A L H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.885 110.5 50.2 -62.6 -36.6 13.3 17.2 24.8 162 153 A A H < S+ 0 0 1 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.903 113.6 43.7 -68.2 -41.8 15.2 18.7 27.8 163 154 A K H < S+ 0 0 126 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.890 118.6 43.4 -70.5 -40.6 13.8 22.2 27.3 164 155 A H H < S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.712 125.5 33.2 -78.1 -22.8 10.2 21.0 26.7 165 156 A F >< + 0 0 5 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 -0.519 69.7 163.7-133.2 68.0 10.2 18.5 29.5 166 157 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.577 74.6 50.3 -67.9 -13.5 12.4 20.0 32.2 167 158 A R T 3 S+ 0 0 164 2,-0.1 2,-0.4 22,-0.0 -33,-0.1 0.340 90.2 99.8-103.4 3.0 11.2 17.8 35.0 168 159 A L S < S- 0 0 2 -3,-1.8 2,-0.6 -6,-0.2 -37,-0.1 -0.724 73.9-130.3 -88.6 135.6 11.8 14.6 33.0 169 160 A K - 0 0 41 -2,-0.4 -32,-2.9 -34,-0.4 2,-0.5 -0.786 26.8-169.4 -84.2 124.2 15.0 12.6 33.7 170 161 A I E -ij 137 190C 0 19,-2.7 21,-2.3 -2,-0.6 2,-0.7 -0.965 5.4-160.7-119.9 114.3 16.5 11.9 30.3 171 162 A V E -ij 138 191C 1 -34,-3.1 -32,-2.4 -2,-0.5 2,-1.1 -0.866 10.1-148.6-102.0 115.0 19.4 9.4 30.2 172 163 A M E -ij 139 192C 0 19,-2.8 21,-1.7 -2,-0.7 3,-0.5 -0.714 28.5-142.0 -78.0 98.8 21.6 9.6 27.1 173 164 A E - 0 0 4 -34,-1.9 -32,-0.4 -2,-1.1 21,-0.1 -0.273 64.6 -6.9 -67.4 155.4 22.6 5.9 26.9 174 165 A H S S- 0 0 2 1,-0.1 20,-0.2 -34,-0.1 -1,-0.2 0.793 80.3-158.9 23.3 68.5 26.0 4.8 25.8 175 166 A I + 0 0 0 18,-2.1 20,-0.4 -3,-0.5 -1,-0.1 -0.453 21.4 172.4 -72.0 147.2 27.4 8.2 24.9 176 167 A T + 0 0 2 -2,-0.1 2,-0.3 18,-0.1 46,-0.3 0.265 47.6 75.4-138.0 7.8 30.4 8.1 22.6 177 168 A T S > S- 0 0 0 1,-0.1 4,-1.8 45,-0.1 3,-0.3 -0.923 71.0-130.2-130.3 153.6 31.0 11.7 21.6 178 169 A K H > S+ 0 0 91 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.858 108.7 66.9 -64.6 -33.1 32.5 14.9 23.1 179 170 A T H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 106.2 38.5 -54.8 -44.9 29.4 16.6 21.9 180 171 A L H > S+ 0 0 2 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.804 109.7 60.2 -81.2 -27.2 27.3 14.6 24.4 181 172 A C H < S+ 0 0 6 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.945 113.4 39.8 -59.4 -43.8 29.9 14.8 27.1 182 173 A E H >X S+ 0 0 112 -4,-2.6 3,-1.6 1,-0.2 4,-0.5 0.924 110.9 55.2 -71.0 -45.6 29.5 18.6 26.9 183 174 A L H >X S+ 0 0 11 -4,-2.3 3,-1.2 1,-0.3 4,-0.6 0.799 95.3 70.4 -58.3 -30.8 25.7 18.7 26.4 184 175 A L H 3< S+ 0 0 0 -4,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.824 97.7 50.4 -54.1 -35.8 25.4 16.7 29.6 185 176 A K H <4 S+ 0 0 101 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.633 99.3 67.0 -78.9 -18.3 26.6 19.8 31.6 186 177 A D H << S+ 0 0 106 -3,-1.2 2,-0.4 -4,-0.5 -1,-0.2 0.658 101.0 41.9 -81.5 -17.4 24.0 22.2 29.9 187 178 A Y >< - 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