==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-APR-00 1EUF . COMPND 2 MOLECULE: DUODENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.Z.PLETNEV,T.S.ZAMOLODCHIKOVA,W.A.PANGBORN,W.L.DUAX . 224 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.9 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 1 1 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 16 A I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 132.8 12.1 37.2 11.5 2 17 A I B -A 176 0A 25 174,-3.4 174,-1.9 1,-0.2 129,-0.1 -0.898 360.0 -1.6-110.7 136.3 11.5 39.5 14.5 3 18 A G S S+ 0 0 53 127,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.768 103.6 120.7 59.4 28.6 9.3 38.5 17.4 4 19 A G - 0 0 28 -3,-0.2 2,-0.3 139,-0.1 139,-0.2 -0.221 54.6-126.0-105.3-161.9 8.4 35.2 15.8 5 20 A H E -B 142 0B 89 137,-2.2 137,-2.5 -2,-0.1 2,-0.1 -0.955 35.9 -79.9-144.4 161.6 8.7 31.6 16.8 6 21 A E E -B 141 0B 86 -2,-0.3 135,-0.3 135,-0.2 2,-0.2 -0.405 48.0-125.5 -64.8 135.4 10.2 28.4 15.2 7 22 A A - 0 0 0 133,-3.3 3,-0.1 -2,-0.1 -1,-0.1 -0.509 33.3 -94.5 -79.5 149.5 7.9 26.9 12.6 8 23 A K > - 0 0 169 -2,-0.2 3,-2.3 1,-0.1 4,-0.2 -0.434 63.7 -82.1 -60.9 137.8 7.0 23.2 13.1 9 24 A P T 3 S- 0 0 67 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.163 108.1 -8.1 -48.3 124.7 9.5 21.3 10.9 10 25 A H T 3 S+ 0 0 45 46,-0.2 -2,-0.1 2,-0.1 47,-0.1 0.650 89.3 133.9 61.8 19.4 8.5 21.2 7.2 11 26 A S S < S+ 0 0 57 -3,-2.3 -1,-0.1 1,-0.3 3,-0.1 0.590 74.0 46.6 -73.8 -7.3 5.1 22.7 8.0 12 27 A R > + 0 0 27 -4,-0.2 3,-2.5 91,-0.1 -1,-0.3 -0.519 69.0 174.0-134.0 66.5 5.6 25.1 5.1 13 28 A P T 3 S+ 0 0 29 0, 0.0 92,-1.2 0, 0.0 42,-0.3 0.517 74.0 63.9 -50.9 -11.9 6.8 22.7 2.3 14 29 A Y T 3 S+ 0 0 27 90,-0.2 19,-2.8 92,-0.1 93,-0.2 0.614 75.6 115.1 -91.2 -13.8 6.7 25.6 -0.3 15 30 A M E < -I 32 0C 6 -3,-2.5 40,-0.6 17,-0.2 41,-0.4 -0.331 46.9-165.0 -63.0 132.2 9.4 27.7 1.4 16 31 A A E -IJ 31 54C 0 15,-3.1 15,-1.2 24,-0.1 2,-0.6 -0.917 11.9-147.6-120.0 145.0 12.7 28.2 -0.5 17 32 A F E -IJ 30 53C 18 36,-2.0 36,-1.8 -2,-0.4 2,-0.4 -0.960 18.4-153.8-113.1 117.6 16.0 29.4 0.8 18 33 A L E -IJ 29 52C 0 11,-3.1 11,-1.1 -2,-0.6 2,-0.4 -0.780 12.1-174.4 -98.7 135.5 18.1 31.4 -1.7 19 34 A L E +IJ 28 51C 64 32,-2.4 32,-3.5 -2,-0.4 2,-0.3 -0.994 17.3 157.9-127.6 125.3 21.8 31.7 -1.7 20 35 A F E -I 27 0C 12 7,-2.0 7,-3.0 -2,-0.4 2,-0.5 -0.956 37.2-115.6-145.3 163.6 23.6 34.0 -4.1 21 36 A K E +IJ 26 48C 80 27,-2.8 27,-3.2 -2,-0.3 2,-0.3 -0.894 36.1 159.5-106.6 124.3 26.8 36.0 -4.7 22 36AA T S S+ 0 0 47 3,-2.8 3,-0.1 -2,-0.5 25,-0.1 -0.985 70.8 2.2-144.6 131.0 26.8 39.7 -4.8 23 36BA S S S- 0 0 120 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.900 131.1 -59.8 59.9 41.4 29.8 42.0 -4.3 24 36CA G S S+ 0 0 68 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.911 119.2 101.4 53.3 47.1 32.0 38.9 -3.9 25 37 A K S S- 0 0 131 -3,-0.1 -3,-2.8 2,-0.0 2,-0.4 -0.987 74.3-109.8-157.9 148.8 29.9 37.8 -0.9 26 38 A S E -I 21 0C 68 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.682 36.8-177.9 -86.1 133.1 27.2 35.2 -0.2 27 40 A H E -I 20 0C 66 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.3 -0.894 13.1-139.0-127.9 157.1 23.7 36.6 0.6 28 41 A I E +I 19 0C 48 -2,-0.3 2,-0.3 -9,-0.2 152,-0.2 -0.769 21.1 163.7-117.1 163.6 20.4 35.0 1.6 29 42 A a E -I 18 0C 7 -11,-1.1 -11,-3.1 -2,-0.3 154,-0.2 -0.955 31.5-114.7-164.9 160.3 16.7 35.6 0.7 30 43 A G E +I 17 0C 2 152,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.474 35.1 163.1 -96.3 174.1 13.5 33.7 1.0 31 44 A G E -I 16 0C 0 -15,-1.2 -15,-3.1 -2,-0.2 2,-0.3 -0.950 23.5-130.2-173.0 176.0 11.4 32.4 -1.8 32 45 A F E -IK 15 40C 0 8,-2.0 8,-2.8 -2,-0.3 2,-0.4 -0.999 20.3-113.5-148.5 146.2 8.6 30.0 -2.5 33 46 A L E + K 0 39C 0 -19,-2.8 74,-2.6 -2,-0.3 6,-0.2 -0.647 32.3 167.7 -78.8 124.3 7.8 27.2 -4.9 34 47 A V E S- 0 0 22 4,-2.1 2,-0.3 1,-0.5 5,-0.2 0.490 72.8 -1.0-111.4 -11.4 4.9 28.0 -7.2 35 48 A R E > S- K 0 38C 79 3,-1.4 3,-1.1 73,-0.1 -1,-0.5 -0.938 83.8 -92.3-169.5 158.0 5.5 25.0 -9.6 36 49 A E T 3 S+ 0 0 69 -2,-0.3 62,-2.3 1,-0.3 60,-0.1 0.789 127.9 32.2 -47.5 -32.7 8.0 22.2 -10.0 37 50 A D T 3 S+ 0 0 20 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.500 112.9 68.1-106.3 -6.4 10.2 24.4 -12.2 38 51 A F E < -KL 35 93C 5 -3,-1.1 -4,-2.1 55,-0.2 -3,-1.4 -0.945 48.1-173.0-127.2 141.2 9.6 27.8 -10.8 39 52 A V E -KL 33 92C 0 53,-1.9 53,-2.4 -2,-0.4 2,-0.4 -0.982 17.0-147.8-123.6 133.4 10.4 29.7 -7.6 40 53 A L E +KL 32 91C 0 -8,-2.8 -8,-2.0 -2,-0.4 2,-0.2 -0.843 33.7 138.1-104.1 138.8 9.0 33.1 -6.9 41 54 A T E - L 0 90C 0 49,-2.5 49,-2.1 -2,-0.4 2,-0.3 -0.800 53.3 -59.6-154.9-164.6 11.0 35.7 -4.9 42 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.2 47,-0.2 -0.744 35.8-133.6 -94.7 141.5 12.0 39.4 -4.8 43 56 A A G > S+ 0 0 1 -2,-0.3 3,-0.6 1,-0.3 -1,-0.1 0.794 104.6 63.5 -63.8 -29.6 13.8 41.0 -7.7 44 57 A H G 3 S+ 0 0 59 1,-0.3 -1,-0.3 41,-0.1 138,-0.0 0.509 86.2 77.5 -74.6 1.3 16.4 42.6 -5.3 45 58 A a G < S+ 0 0 1 -3,-1.6 2,-0.5 2,-0.0 -1,-0.3 -0.117 71.0 125.2 -97.4 34.7 17.4 39.1 -4.4 46 60 A L < + 0 0 72 -3,-0.6 2,-0.2 -26,-0.1 -26,-0.1 -0.833 23.7 130.6-103.2 132.0 19.4 38.8 -7.6 47 61 A G - 0 0 21 -2,-0.5 3,-0.5 -28,-0.1 2,-0.3 -0.805 56.5 -65.5-153.2-167.6 23.1 37.9 -7.7 48 62 A S E S+J 21 0C 74 -27,-3.2 -27,-2.8 -2,-0.2 0, 0.0 -0.657 109.3 13.6 -94.2 151.2 25.4 35.5 -9.4 49 63 A S E S- 0 0 88 -2,-0.3 -1,-0.2 -29,-0.2 2,-0.1 0.864 81.1-165.2 55.8 42.7 25.3 31.7 -9.0 50 64 A I E - 0 0 11 -3,-0.5 21,-1.8 -30,-0.1 2,-0.4 -0.388 3.8-165.5 -61.4 126.5 21.9 31.8 -7.3 51 65 A N E -JM 19 70C 51 -32,-3.5 -32,-2.4 19,-0.2 2,-0.4 -0.927 6.2-149.9-116.8 142.9 21.2 28.5 -5.6 52 66 A V E -JM 18 69C 0 17,-2.0 17,-2.2 -2,-0.4 2,-0.5 -0.928 6.0-164.4-116.4 134.7 17.8 27.3 -4.3 53 67 A T E -JM 17 68C 15 -36,-1.8 -36,-2.0 -2,-0.4 2,-0.3 -0.969 10.2-174.6-118.5 127.3 17.3 24.9 -1.4 54 68 A L E +JM 16 67C 0 13,-2.3 13,-1.7 -2,-0.5 -38,-0.1 -0.813 60.3 26.8-118.9 159.5 13.9 23.2 -0.9 55 69 A G S S+ 0 0 4 -40,-0.6 2,-0.3 -42,-0.3 -1,-0.2 0.843 86.3 142.7 62.3 35.8 12.5 21.0 1.9 56 70 A A + 0 0 11 -41,-0.4 -46,-0.2 -3,-0.2 -1,-0.2 -0.743 29.8 164.7-109.7 154.4 14.8 22.6 4.6 57 71 A H S S+ 0 0 10 1,-0.4 83,-1.4 -2,-0.3 2,-0.8 0.528 83.2 34.7-124.7 -58.1 14.2 23.4 8.2 58 72 A N B > -O 139 0D 18 81,-0.2 3,-1.1 1,-0.1 -1,-0.4 -0.901 68.3-168.4-101.4 108.5 17.7 24.0 9.5 59 73 A I T 3 S+ 0 0 31 79,-2.4 -1,-0.1 -2,-0.8 80,-0.1 0.443 77.3 74.6 -79.2 3.2 19.7 25.5 6.7 60 74 A M T 3 S+ 0 0 145 78,-0.4 2,-0.3 1,-0.0 -1,-0.2 0.630 97.6 47.5 -88.2 -13.9 23.0 25.0 8.5 61 75 A E S < S- 0 0 115 -3,-1.1 2,-1.7 77,-0.2 -3,-0.1 -0.944 88.8-112.8-128.4 149.3 23.0 21.3 7.8 62 76 A R - 0 0 186 -2,-0.3 -3,-0.1 -6,-0.1 -6,-0.0 -0.619 42.3-161.2 -81.2 86.7 22.4 19.2 4.7 63 77 A E > - 0 0 31 -2,-1.7 3,-1.4 -5,-0.3 -4,-0.0 -0.333 25.3-121.0 -67.2 151.1 19.2 17.6 5.7 64 78 A R T 3 S+ 0 0 255 1,-0.3 -1,-0.1 3,-0.0 -8,-0.1 0.829 113.6 56.8 -63.4 -31.5 18.1 14.4 3.8 65 79 A T T 3 S+ 0 0 41 -10,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.563 86.9 109.0 -77.2 -8.2 14.9 16.2 2.8 66 80 A Q < - 0 0 25 -3,-1.4 2,-0.4 -13,-0.1 -11,-0.2 -0.431 49.0-166.3 -75.8 144.1 16.8 19.0 1.2 67 81 A Q E -M 54 0C 23 -13,-1.7 -13,-2.3 -2,-0.1 2,-0.8 -0.978 4.8-162.1-129.4 112.9 17.0 19.6 -2.6 68 82 A V E +M 53 0C 43 -2,-0.4 -15,-0.2 -15,-0.2 -2,-0.0 -0.830 16.3 176.8-102.8 100.3 19.7 22.0 -3.8 69 83 A I E -M 52 0C 0 -17,-2.2 -17,-2.0 -2,-0.8 -2,-0.1 -0.885 23.8-133.5-110.4 125.2 18.9 23.1 -7.3 70 84 A P E -M 51 0C 59 0, 0.0 25,-2.2 0, 0.0 2,-0.4 -0.353 28.9-110.1 -70.1 154.2 20.8 25.7 -9.3 71 85 A V E -N 94 0C 25 -21,-1.8 23,-0.2 23,-0.2 -22,-0.1 -0.690 24.2-168.5 -86.1 136.7 18.9 28.4 -11.1 72 86 A R E S+ 0 0 142 21,-2.8 22,-0.2 -2,-0.4 -1,-0.2 0.877 76.1 3.0 -88.0 -45.3 19.0 28.2 -14.9 73 87 A R E -N 93 0C 141 20,-1.5 20,-2.6 2,-0.0 2,-0.3 -0.936 62.8-149.5-149.8 120.3 17.5 31.6 -15.6 74 88 A P E -N 92 0C 51 0, 0.0 18,-0.2 0, 0.0 -28,-0.0 -0.705 13.8-166.5 -86.4 137.4 16.5 34.4 -13.3 75 89 A I E -N 91 0C 23 16,-3.2 16,-2.5 -2,-0.3 2,-0.1 -0.770 5.4-174.9-129.6 87.8 13.6 36.5 -14.6 76 90 A P E -N 90 0C 45 0, 0.0 14,-0.2 0, 0.0 12,-0.1 -0.427 45.1 -83.9 -77.0 157.9 13.1 39.8 -12.7 77 91 A H > - 0 0 19 12,-2.3 3,-2.4 10,-0.4 12,-0.1 -0.403 36.4-129.1 -61.2 131.5 10.1 42.0 -13.7 78 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.751 108.5 48.4 -55.5 -22.5 11.1 44.1 -16.7 79 93 A D T 3 S+ 0 0 108 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.322 79.6 135.2-100.4 8.1 9.8 47.2 -14.8 80 94 A Y < - 0 0 44 -3,-2.4 2,-0.5 9,-0.1 7,-0.2 -0.261 44.1-150.4 -55.6 142.7 11.7 46.5 -11.6 81 95 A N > - 0 0 63 5,-2.0 4,-2.1 1,-0.1 5,-0.3 -0.958 11.0-164.2-120.9 110.9 13.4 49.6 -10.2 82 96 A D T 4 S+ 0 0 115 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.547 91.4 51.3 -71.1 -4.5 16.6 48.9 -8.2 83 97 A E T 4 S+ 0 0 170 3,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.905 124.9 19.1 -93.0 -64.1 16.3 52.5 -6.9 84 98 A T T 4 S- 0 0 39 2,-0.1 -2,-0.2 74,-0.0 3,-0.1 0.564 96.5-129.7 -83.5 -10.8 12.7 52.8 -5.6 85 99 A L >< + 0 0 35 -4,-2.1 3,-0.8 1,-0.2 -3,-0.2 0.707 49.5 162.1 66.4 20.6 12.3 49.0 -5.4 86 100 A A T 3 + 0 0 13 -5,-0.3 -5,-2.0 1,-0.2 -1,-0.2 -0.441 62.9 18.5 -69.4 146.9 9.0 49.3 -7.4 87 101 A N T 3 S- 0 0 30 1,-0.2 2,-2.3 -7,-0.2 -10,-0.4 0.878 79.6-176.6 59.3 40.7 7.8 46.0 -9.0 88 102 A D < + 0 0 1 -3,-0.8 2,-0.3 -8,-0.1 -1,-0.2 -0.455 35.6 116.3 -72.5 81.0 10.0 44.0 -6.6 89 103 A I + 0 0 0 -2,-2.3 -12,-2.3 -47,-0.2 2,-0.3 -0.998 35.2 175.9-150.2 145.9 9.2 40.6 -8.1 90 104 A M E -LN 41 76C 0 -49,-2.1 -49,-2.5 -2,-0.3 2,-0.4 -0.975 19.2-147.0-156.5 138.1 11.1 37.8 -9.8 91 105 A L E -LN 40 75C 0 -16,-2.5 -16,-3.2 -2,-0.3 2,-0.5 -0.820 15.1-156.5-102.0 142.6 10.6 34.3 -11.2 92 106 A L E -LN 39 74C 0 -53,-2.4 -53,-1.9 -2,-0.4 2,-0.6 -0.979 6.4-148.1-122.3 118.0 13.5 31.9 -11.1 93 107 A K E -LN 38 73C 48 -20,-2.6 -21,-2.8 -2,-0.5 -20,-1.5 -0.762 21.8-130.9 -87.9 123.1 13.4 28.9 -13.5 94 108 A L E - N 0 71C 4 -57,-2.9 -23,-0.2 -2,-0.6 3,-0.1 -0.380 9.4-128.8 -73.4 148.4 15.1 25.9 -12.0 95 109 A T S S+ 0 0 63 -25,-2.2 2,-0.3 1,-0.2 -1,-0.1 0.578 97.1 12.8 -70.6 -8.2 17.7 23.9 -13.9 96 110 A R S S- 0 0 110 -26,-0.3 -1,-0.2 -60,-0.1 -24,-0.0 -0.936 92.9 -92.4-166.6 143.6 15.6 20.8 -13.1 97 111 A K - 0 0 145 -2,-0.3 -60,-0.2 -3,-0.1 2,-0.2 -0.280 43.9-119.3 -60.5 140.8 12.1 20.1 -11.8 98 112 A A - 0 0 5 -62,-2.3 2,-0.7 -63,-0.1 -1,-0.1 -0.541 24.7-112.3 -81.4 149.0 11.9 19.6 -8.1 99 113 A D - 0 0 100 -2,-0.2 2,-0.5 6,-0.0 -1,-0.1 -0.737 30.2-136.4 -84.0 117.3 10.6 16.3 -6.7 100 114 A I + 0 0 75 -2,-0.7 5,-0.2 3,-0.1 2,-0.2 -0.624 42.7 145.5 -77.9 122.2 7.2 17.0 -5.1 101 115 A T - 0 0 62 3,-2.6 -46,-0.0 -2,-0.5 -1,-0.0 -0.518 67.0 -79.5-133.4-158.2 7.0 15.2 -1.8 102 116 A D S S+ 0 0 124 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.580 132.8 42.1 -87.4 -10.4 5.4 15.7 1.6 103 117 A K S S+ 0 0 58 1,-0.2 2,-0.4 -90,-0.1 -48,-0.3 0.506 119.4 44.0-109.5 -11.6 8.3 18.1 2.5 104 118 A V + 0 0 0 -50,-0.1 -3,-2.6 -49,-0.1 -1,-0.2 -0.906 69.5 126.4-141.2 110.5 8.5 19.8 -0.9 105 119 A S - 0 0 33 -92,-1.2 -72,-0.2 -2,-0.4 -50,-0.1 -0.980 53.7 -94.0-157.8 152.9 5.4 21.1 -2.8 106 120 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 -72,-0.3 -0.187 27.0-134.8 -68.5 159.9 4.2 24.4 -4.4 107 121 A I - 0 0 9 -74,-2.6 84,-0.1 -93,-0.2 2,-0.1 -0.896 30.9-111.7-111.1 145.2 1.9 26.9 -2.7 108 122 A N - 0 0 125 82,-0.5 84,-2.2 -2,-0.4 -73,-0.1 -0.389 19.7-134.5 -80.0 157.7 -0.9 28.3 -4.8 109 123 A L - 0 0 37 82,-0.2 84,-0.1 -75,-0.1 2,-0.1 -0.589 31.8 -99.8 -99.3 166.3 -1.2 31.8 -6.1 110 124 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.448 28.1-116.6 -87.3 163.5 -4.5 33.7 -5.9 111 125 A R > - 0 0 185 -2,-0.1 3,-0.7 1,-0.1 102,-0.1 -0.566 37.0-103.6 -88.0 162.3 -7.1 34.2 -8.7 112 126 A S T 3 S+ 0 0 94 1,-0.2 -1,-0.1 -2,-0.2 101,-0.0 0.699 118.7 68.2 -59.4 -18.8 -7.7 37.8 -9.8 113 127 A L T 3 S+ 0 0 148 2,-0.0 -1,-0.2 0, 0.0 100,-0.0 0.941 81.1 88.1 -65.4 -50.8 -10.9 37.7 -7.8 114 128 A A < - 0 0 38 -3,-0.7 2,-0.4 1,-0.0 99,-0.0 -0.100 58.9-167.5 -52.9 145.6 -9.2 37.6 -4.4 115 129 A E - 0 0 120 2,-0.0 2,-0.7 98,-0.0 -1,-0.0 -0.999 21.8-131.6-140.5 134.3 -8.3 40.8 -2.6 116 130 A V - 0 0 11 -2,-0.4 95,-0.0 77,-0.1 -2,-0.0 -0.774 35.4-171.1 -85.4 114.3 -6.0 41.4 0.4 117 131 A K > - 0 0 111 -2,-0.7 3,-1.8 1,-0.1 30,-0.2 -0.803 30.0 -89.6-110.4 152.2 -8.1 43.7 2.7 118 132 A P T 3 S+ 0 0 76 0, 0.0 30,-0.2 0, 0.0 3,-0.1 -0.195 111.3 34.4 -54.6 145.3 -7.0 45.5 5.9 119 133 A G T 3 S+ 0 0 42 28,-2.5 29,-0.1 1,-0.3 2,-0.0 0.082 82.8 134.2 96.1 -24.9 -7.5 43.5 9.0 120 134 A M < - 0 0 56 -3,-1.8 27,-2.7 26,-0.1 2,-0.6 -0.334 52.1-135.8 -60.7 136.9 -6.7 40.2 7.4 121 135 A M E +C 146 0B 101 25,-0.2 68,-0.4 -3,-0.1 2,-0.2 -0.860 35.8 159.5 -98.7 124.6 -4.3 38.1 9.4 122 136 A b E -C 145 0B 4 23,-3.1 23,-2.8 -2,-0.6 2,-0.3 -0.695 25.4-131.5-129.8-176.6 -1.5 36.5 7.4 123 137 A S E -CD 144 187B 16 64,-2.5 64,-3.5 21,-0.3 2,-0.3 -0.950 9.1-162.6-141.5 162.9 1.9 35.0 8.1 124 138 A V E -C 143 0B 0 19,-2.0 19,-1.8 -2,-0.3 2,-0.3 -0.982 8.1-163.2-143.1 148.5 5.5 35.2 6.8 125 139 A A E +C 142 0B 0 60,-0.5 2,-0.3 -2,-0.3 17,-0.2 -0.943 19.3 138.6-134.3 156.3 8.5 32.8 7.3 126 140 A G E -C 141 0B 0 15,-2.1 15,-2.1 -2,-0.3 55,-0.2 -0.976 53.7-117.3 178.2 169.7 12.2 33.1 6.9 127 141 A W S S+ 0 0 4 53,-0.5 10,-0.2 -2,-0.3 54,-0.1 -0.126 71.2 128.4-111.0 28.9 15.8 32.5 8.0 128 142 A G - 0 0 0 8,-0.2 9,-1.0 1,-0.2 52,-0.3 -0.160 68.0 -57.3 -81.7 179.6 16.5 36.2 8.4 129 143 A R B -P 136 0E 106 50,-2.6 7,-0.3 7,-0.3 -1,-0.2 -0.133 37.8-136.5 -54.5 149.1 18.0 38.2 11.2 130 144 A L S S- 0 0 61 5,-2.0 -127,-0.4 1,-0.2 2,-0.3 0.457 76.2 -35.6 -87.6 -1.8 16.2 38.0 14.6 131 145 A G S > S- 0 0 7 3,-0.3 3,-2.0 -129,-0.1 -1,-0.2 -0.966 93.9 -30.9 167.0-179.7 16.6 41.8 15.0 132 146 A V T 3 S- 0 0 76 1,-0.3 70,-0.1 -2,-0.3 -2,-0.0 -0.410 130.1 -6.1 -61.0 127.2 18.7 44.8 14.5 133 147 A N T 3 S+ 0 0 160 1,-0.2 -1,-0.3 -2,-0.2 0, 0.0 0.823 110.1 128.5 52.1 34.3 22.4 43.8 14.6 134 148 A M < - 0 0 86 -3,-2.0 -3,-0.3 1,-0.1 -1,-0.2 -0.840 64.3-102.0-114.3 152.9 21.2 40.3 15.6 135 150 A P - 0 0 89 0, 0.0 -5,-2.0 0, 0.0 -4,-0.1 -0.318 34.6-111.8 -73.9 160.4 22.2 37.1 13.9 136 151 A S B -P 129 0E 58 -7,-0.3 -7,-0.3 1,-0.1 -8,-0.2 -0.386 39.9-103.3 -81.8 168.9 20.0 35.3 11.4 137 152 A T - 0 0 13 -9,-1.0 -1,-0.1 -10,-0.2 3,-0.1 -0.356 9.0-148.5 -91.9 172.8 18.5 31.9 12.4 138 153 A D S S+ 0 0 69 1,-0.1 -79,-2.4 -2,-0.1 -78,-0.4 0.648 85.7 54.5-107.2 -29.1 19.4 28.4 11.4 139 154 A K B S-O 58 0D 74 -81,-0.3 -81,-0.2 -80,-0.1 -1,-0.1 -0.861 100.9 -88.6-112.1 143.8 15.9 27.1 11.7 140 155 A L - 0 0 5 -83,-1.4 -133,-3.3 -2,-0.4 2,-0.3 -0.212 42.4-163.2 -53.7 120.8 12.7 28.4 10.0 141 156 A Q E -BC 6 126B 26 -15,-2.1 -15,-2.1 -135,-0.3 2,-0.3 -0.737 6.5-172.4-103.7 153.1 11.0 31.1 11.9 142 157 A E E -BC 5 125B 34 -137,-2.5 -137,-2.2 -2,-0.3 2,-0.3 -0.953 4.8-178.3-141.8 160.2 7.4 32.3 11.3 143 158 A V E - C 0 124B 3 -19,-1.8 -19,-2.0 -2,-0.3 2,-0.4 -0.985 27.0-117.9-158.7 152.0 5.2 35.1 12.5 144 159 A D E - C 0 123B 80 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.3 -0.807 32.3-173.4 -95.7 133.2 1.6 36.4 12.1 145 160 A L E - C 0 122B 6 -23,-2.8 -23,-3.1 -2,-0.4 2,-0.5 -0.950 19.0-131.6-127.5 148.4 1.2 39.8 10.6 146 161 A E E - C 0 121B 66 -2,-0.3 23,-3.0 -25,-0.2 -25,-0.2 -0.849 23.3-123.2-102.1 130.0 -1.9 42.0 10.1 147 162 A V B -E 168 0B 5 -27,-2.7 -28,-2.5 -2,-0.5 21,-0.3 -0.482 32.2-150.7 -68.3 139.9 -2.5 43.7 6.8 148 163 A Q - 0 0 17 19,-3.8 19,-0.5 -30,-0.2 2,-0.2 -0.747 18.9 -99.3-111.7 159.6 -2.9 47.5 7.1 149 164 A S > - 0 0 34 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.509 43.3-106.5 -75.0 147.7 -4.8 50.1 5.2 150 165 A E T >> S+ 0 0 105 1,-0.3 4,-2.6 2,-0.2 3,-0.9 0.694 110.8 70.5 -46.2 -33.1 -2.6 52.0 2.7 151 166 A E H 3> S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.815 89.4 63.8 -61.6 -28.2 -2.4 55.3 4.6 152 167 A K H <4 S+ 0 0 60 -3,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.873 113.8 32.6 -61.5 -38.3 -0.1 53.6 7.2 153 168 A c H X> S+ 0 0 0 -3,-0.9 4,-3.0 -4,-0.4 3,-1.0 0.814 111.5 62.3 -87.7 -34.6 2.5 53.1 4.5 154 169 A I H 3< S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.840 105.7 49.0 -59.7 -32.4 1.8 56.2 2.5 155 170 A A T 3< S+ 0 0 86 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.626 119.4 37.1 -82.6 -13.8 2.7 58.3 5.5 156 171 A R T <4 S+ 0 0 89 -3,-1.0 2,-0.5 1,-0.2 -2,-0.2 0.724 110.3 53.7-110.8 -28.1 6.0 56.4 6.1 157 172 A F >< - 0 0 22 -4,-3.0 3,-1.0 1,-0.1 -1,-0.2 -0.945 61.2-150.2-118.8 127.7 7.4 55.6 2.7 158 173 A K T 3 S+ 0 0 181 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.833 97.0 43.4 -58.4 -35.4 8.1 58.1 -0.1 159 174 A N T 3 S+ 0 0 55 -75,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.311 73.9 144.1-111.1 51.6 7.5 55.5 -2.8 160 175 A Y < - 0 0 23 -3,-1.0 -74,-0.0 -2,-0.2 7,-0.0 -0.778 26.5-169.5 -92.4 127.8 4.4 53.5 -1.8 161 176 A I >> - 0 0 76 -2,-0.5 4,-2.2 1,-0.1 3,-1.1 -0.890 8.4-161.6-118.8 98.6 2.2 52.5 -4.6 162 177 A P T 34 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.827 87.9 56.5 -45.7 -41.9 -1.1 51.1 -3.3 163 178 A F T 34 S+ 0 0 150 1,-0.2 51,-0.1 3,-0.0 3,-0.0 0.848 120.3 26.5 -63.7 -36.0 -1.9 49.3 -6.6 164 179 A T T <4 S+ 0 0 14 -3,-1.1 47,-3.3 49,-0.1 2,-0.3 0.555 118.2 60.8-104.5 -11.5 1.3 47.2 -6.7 165 180 A Q E < - F 0 210B 5 -4,-2.2 2,-0.4 45,-0.3 45,-0.2 -0.857 61.8-144.2-125.9 155.6 2.1 47.0 -3.1 166 181 A I E - F 0 209B 1 43,-3.8 43,-2.6 -2,-0.3 2,-0.6 -0.881 14.6-140.9-112.5 145.1 0.6 45.7 0.2 167 182 A c E + F 0 208B 1 -19,-0.5 -19,-3.8 -2,-0.4 2,-0.4 -0.930 31.9 174.4-108.7 113.8 1.1 47.4 3.6 168 183 A A E +EF 147 207B 1 39,-1.9 39,-2.6 -2,-0.6 -21,-0.2 -0.940 26.9 54.5-130.3 147.6 1.6 44.8 6.4 169 184 A G S S- 0 0 0 -23,-3.0 -24,-0.1 -2,-0.4 -22,-0.1 0.451 74.3 -99.8 107.1 114.5 2.4 44.7 10.1 170 184AA D > - 0 0 34 1,-0.2 3,-2.0 2,-0.1 5,-0.3 -0.448 30.8-140.6 -61.0 122.8 0.6 46.4 13.0 171 184BA P T 3 S+ 0 0 30 0, 0.0 34,-0.3 0, 0.0 -1,-0.2 0.827 99.3 56.3 -56.0 -33.5 2.7 49.5 13.8 172 185 A S T 3 S+ 0 0 83 32,-0.1 2,-0.4 2,-0.0 -2,-0.1 0.370 97.2 80.6 -83.2 6.7 2.2 49.0 17.5 173 186 A K S < S- 0 0 101 -3,-2.0 2,-1.0 2,-0.1 32,-0.3 -0.951 70.5-142.6-122.3 135.1 3.6 45.4 17.4 174 187 A R + 0 0 180 -2,-0.4 2,-0.5 30,-0.1 -2,-0.0 -0.198 68.5 112.1 -81.7 41.9 7.2 44.2 17.4 175 188 A K + 0 0 68 -2,-1.0 2,-0.3 -5,-0.3 -172,-0.2 -0.978 42.9 119.3-116.5 127.2 6.4 41.4 15.0 176 189 A N B -A 2 0A 2 -174,-1.9 -174,-3.4 -2,-0.5 2,-0.2 -0.995 59.3 -94.2-174.5 169.0 7.9 41.6 11.6 177 190 A S + 0 0 1 -2,-0.3 2,-0.2 -176,-0.2 3,-0.1 -0.637 45.4 175.1 -92.9 158.1 10.1 40.3 8.8 178 191 A F > - 0 0 30 -2,-0.2 3,-2.6 1,-0.1 4,-0.4 -0.730 39.4 -22.6-146.2-165.5 13.6 41.6 8.5 179 192 A S T 3 S+ 0 0 59 1,-0.3 -50,-2.6 -2,-0.2 -1,-0.1 -0.198 126.9 23.6 -50.6 131.4 16.9 41.2 6.7 180 193 A G T 3 S+ 0 0 17 -52,-0.3 -53,-0.5 -152,-0.2 -1,-0.3 0.168 104.4 85.4 96.1 -17.9 17.3 37.8 5.1 181 194 A D X + 0 0 0 -3,-2.6 3,-2.0 -55,-0.2 15,-0.2 0.623 59.2 118.9 -89.4 -15.8 13.5 37.4 5.0 182 195 A S T 3 S+ 0 0 18 -4,-0.4 -152,-3.6 1,-0.3 15,-0.2 -0.149 70.4 31.9 -51.5 142.9 13.0 39.3 1.6 183 196 A G T 3 S+ 0 0 0 13,-2.3 -1,-0.3 1,-0.3 -151,-0.1 0.082 91.3 124.2 94.9 -24.6 11.6 37.2 -1.2 184 197 A G < - 0 0 0 -3,-2.0 12,-2.3 1,-0.1 -1,-0.3 -0.159 65.0-100.1 -64.5 163.7 9.6 35.1 1.3 185 198 A P E - G 0 195B 0 0, 0.0 2,-0.8 0, 0.0 -60,-0.5 -0.592 12.1-138.5 -92.4 148.6 5.8 34.8 0.9 186 199 A L E - G 0 194B 0 8,-2.6 7,-2.5 -2,-0.2 8,-1.3 -0.920 32.2-156.3 -96.5 113.7 3.1 36.7 2.7 187 200 A V E +DG 123 192B 9 -64,-3.5 -64,-2.5 -2,-0.8 2,-0.4 -0.845 19.3 175.2-101.9 126.4 0.6 33.8 3.3 188 201 A b E > S- G 0 191B 3 3,-2.5 3,-1.1 -2,-0.5 -66,-0.2 -0.976 75.9 -13.2-130.1 117.1 -3.1 34.6 3.8 189 202 A N T 3 S- 0 0 149 -2,-0.4 -1,-0.1 -68,-0.4 3,-0.1 0.909 127.6 -57.1 59.2 42.7 -5.5 31.7 4.1 190 207 A G T 3 S+ 0 0 54 1,-0.2 -82,-0.5 -3,-0.0 2,-0.4 0.621 116.6 110.0 65.7 14.5 -2.9 29.3 2.8 191 208 A V E < S-G 188 0B 37 -3,-1.1 -3,-2.5 -84,-0.1 2,-0.9 -0.958 75.6-116.3-122.7 139.9 -2.4 31.3 -0.4 192 209 A A E +G 187 0B 0 -84,-2.2 -5,-0.2 -2,-0.4 3,-0.1 -0.645 43.4 161.8 -76.8 109.2 0.6 33.4 -1.4 193 210 A Q E + 0 0 17 -7,-2.5 19,-1.5 -2,-0.9 20,-0.5 0.605 58.1 10.3-102.1 -19.5 -0.8 36.9 -1.5 194 211 A G E -GH 186 211B 0 -8,-1.3 -8,-2.6 17,-0.2 2,-0.4 -0.954 59.5-124.6-154.6 175.0 2.5 38.9 -1.3 195 212 A I E -GH 185 210B 0 15,-1.2 15,-2.5 -2,-0.3 -29,-0.2 -0.989 33.2-115.7-131.4 123.5 6.2 39.0 -1.3 196 213 A V E + H 0 209B 3 -12,-2.3 -13,-2.3 -2,-0.4 13,-0.2 -0.372 47.5 156.4 -56.8 125.3 8.4 40.5 1.4 197 214 A S E - 0 0 2 11,-1.2 2,-0.3 1,-0.3 12,-0.2 0.667 49.2 -31.9-116.6 -74.2 10.2 43.5 -0.1 198 215 A Y E - H 0 208B 45 10,-1.9 10,-3.2 -16,-0.0 -1,-0.3 -0.980 40.1-178.5-153.5 165.2 11.3 46.1 2.4 199 216 A G - 0 0 23 -2,-0.3 8,-0.1 8,-0.2 6,-0.1 -0.815 50.7 -61.5-146.6-177.1 10.7 48.0 5.7 200 217 A R > - 0 0 92 4,-0.7 3,-1.9 6,-0.4 4,-0.2 -0.409 52.1-109.9 -73.5 153.7 12.5 50.7 7.7 201 218 A N T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -23,-0.0 0.643 112.9 66.7 -58.8 -17.3 16.1 50.1 8.8 202 219 A D T 3 S- 0 0 86 2,-0.1 -1,-0.3 -70,-0.1 -70,-0.2 0.361 110.4-116.3 -87.7 7.9 15.1 49.8 12.4 203 220 A G < + 0 0 10 -3,-1.9 2,-0.2 1,-0.2 -2,-0.1 0.665 68.8 140.4 69.3 14.8 13.1 46.7 11.8 204 223 A T - 0 0 45 -4,-0.2 -4,-0.7 2,-0.1 -1,-0.2 -0.495 45.0 -70.1 -88.6 162.3 9.8 48.4 12.8 205 224 A T S S+ 0 0 4 -34,-0.3 -36,-0.1 -32,-0.3 2,-0.1 -0.534 86.5 54.5 -93.9 162.1 6.5 47.9 11.1 206 225 A P - 0 0 0 0, 0.0 -6,-0.4 0, 0.0 2,-0.2 0.597 61.7-169.8 -89.6 169.7 4.8 48.3 8.7 207 226 A D E -F 168 0B 5 -39,-2.6 -39,-1.9 -8,-0.1 2,-0.5 -0.693 24.0-115.3-115.4 165.8 6.5 47.0 5.7 208 227 A V E -FH 167 198B 0 -10,-3.2 -10,-1.9 -2,-0.2 -11,-1.2 -0.911 33.7-176.0-104.4 126.8 6.0 47.2 1.9 209 228 A Y E -FH 166 196B 0 -43,-2.6 -43,-3.8 -2,-0.5 2,-0.3 -0.916 32.2-105.7-121.0 148.5 5.2 43.9 0.2 210 229 A T E -FH 165 195B 3 -15,-2.5 -15,-1.2 -2,-0.3 2,-0.9 -0.577 31.2-129.4 -74.1 129.9 4.7 43.2 -3.5 211 230 A R E > - H 0 194B 46 -47,-3.3 3,-1.3 -2,-0.3 4,-0.2 -0.737 18.3-163.9 -83.5 107.9 1.0 42.7 -4.3 212 231 A I G >> S+ 0 0 0 -19,-1.5 3,-2.4 -2,-0.9 4,-0.6 0.845 81.1 69.3 -61.7 -36.4 1.0 39.4 -6.3 213 232 A S G 34 S+ 0 0 32 -20,-0.5 3,-0.4 1,-0.3 -1,-0.3 0.751 94.9 58.4 -55.5 -23.1 -2.5 40.0 -7.7 214 233 A S G <4 S+ 0 0 35 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.576 110.3 40.3 -85.4 -8.3 -1.1 42.8 -9.8 215 234 A F T <> S+ 0 0 9 -3,-2.4 4,-2.9 -4,-0.2 3,-0.5 0.300 77.8 108.6-120.4 8.5 1.4 40.7 -11.6 216 235 A L H X S+ 0 0 6 -4,-0.6 4,-2.8 -3,-0.4 5,-0.3 0.870 80.2 54.4 -52.2 -41.5 -0.7 37.5 -12.2 217 236 A S H > S+ 0 0 102 -4,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.891 112.1 43.2 -61.4 -40.6 -0.8 38.3 -15.9 218 237 A W H > S+ 0 0 42 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.884 113.4 52.4 -71.8 -40.5 3.0 38.6 -16.0 219 238 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.953 112.5 43.2 -60.5 -51.8 3.5 35.5 -13.9 220 239 A H H < S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 114.1 51.7 -64.4 -35.9 1.2 33.3 -16.1 221 240 A S H >< S+ 0 0 91 -4,-1.6 3,-1.1 -5,-0.3 -1,-0.2 0.927 111.2 46.8 -66.5 -44.9 2.8 34.7 -19.3 222 241 A T H 3< S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.856 106.2 58.2 -65.6 -37.4 6.3 34.0 -18.1 223 242 A M T 3< 0 0 18 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.104 360.0 360.0 -82.5 25.2 5.4 30.5 -17.0 224 243 A R < 0 0 230 -3,-1.1 -2,-0.2 -5,-0.1 -3,-0.2 0.978 360.0 360.0 77.6 360.0 4.3 29.8 -20.6