==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-JAN-11 3ATL . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 31.8 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 . 1 0.4 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 . 1 0.4 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 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 . 4 2 2 5 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 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 19 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.2 -8.0 -8.5 14.4 2 20 A V B +A 171 0A 10 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.881 360.0 6.1-103.1 131.3 -10.3 -9.3 17.4 3 21 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.736 103.2 120.3 73.3 25.6 -12.0 -6.4 19.3 4 22 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.052 57.1-110.2-101.7-158.2 -10.8 -3.8 16.8 5 23 A Y E -B 137 0B 94 132,-2.5 132,-3.1 -3,-0.1 2,-0.5 -0.931 34.3 -90.1-137.1 159.8 -12.4 -1.3 14.5 6 24 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.617 36.8-150.8 -70.2 117.8 -12.9 -0.8 10.8 7 25 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.897 35.1-113.3 -57.9 -45.3 -9.9 1.3 9.8 8 26 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.035 47.3 -57.2 107.2 139.8 -11.5 3.1 6.9 9 27 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.252 117.6 -11.4 -59.0 125.7 -10.5 2.7 3.3 10 28 A N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.657 91.6 126.5 61.3 23.2 -6.8 3.4 2.5 11 29 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.529 74.5 49.7 -83.1 -8.6 -6.2 5.0 6.0 12 30 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.2 -0.718 73.9 175.2-126.6 75.9 -3.3 2.6 6.5 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.609 72.4 55.5 -71.2 -14.1 -1.5 3.1 3.2 14 32 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.494 82.4 107.9 -90.0 -9.6 1.6 0.9 4.0 15 33 A Q E < -J 28 0C 5 -3,-1.8 37,-0.4 13,-0.2 36,-0.4 -0.589 49.9-175.1 -73.1 125.8 -0.6 -2.1 4.7 16 34 A V E -J 27 0C 1 11,-2.4 11,-1.1 -2,-0.4 2,-0.5 -0.831 20.9-137.3-117.3 158.6 -0.4 -4.8 2.0 17 35 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.6 -0.968 15.1-143.0-110.0 129.6 -2.2 -8.1 1.4 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-1.0 -0.861 24.4-167.8 -91.9 125.5 -0.1 -11.1 0.3 19 37 A N E +JK 23 47C 20 28,-3.0 28,-2.7 -2,-0.6 4,-0.2 -0.963 31.0 167.1-124.9 128.3 -2.1 -13.1 -2.2 20 38 A S S S- 0 0 30 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.324 97.7 -46.5-125.1 47.0 -1.5 -16.6 -3.6 21 39 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.153 140.7 27.7 101.5 -12.9 -5.0 -17.0 -5.1 22 40 A Y S S- 0 0 132 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.941 102.8 -80.7-168.3 154.3 -6.4 -15.7 -1.8 23 41 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.535 51.9 157.4 -63.7 129.6 -5.2 -13.4 1.1 24 42 A F E + 0 0 34 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.517 58.1 6.0-129.3 -12.5 -2.9 -15.4 3.4 25 43 A b E -J 18 0C 7 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.986 61.4-120.6-164.1 158.1 -0.8 -12.8 5.2 26 44 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.460 27.7 178.2 -93.7 174.6 -0.2 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.957 24.1-118.9-164.8 172.6 2.9 -7.0 5.1 28 46 A S E -JL 15 36C 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.5 -0.990 19.0-132.7-128.6 127.7 4.3 -3.5 5.3 29 47 A L E + L 0 35C 1 -15,-2.5 74,-2.3 -2,-0.4 6,-0.2 -0.681 27.2 172.4 -77.4 122.4 5.5 -1.4 2.3 30 48 A I E - 0 0 20 4,-2.2 2,-0.3 -2,-0.5 75,-0.2 0.538 67.3 -7.3-112.8 -14.2 8.9 0.1 3.3 31 49 A N E > S- L 0 34C 45 3,-1.2 3,-0.9 70,-0.1 -1,-0.3 -0.938 91.2 -74.5-160.8-176.4 9.8 1.6 -0.1 32 50 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.702 128.0 22.4 -58.8 -21.4 8.5 1.5 -3.7 33 51 A Q T 3 S+ 0 0 75 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.365 110.0 74.9-130.0 11.2 9.8 -2.0 -4.3 34 52 A W E < -LM 31 89C 1 -3,-0.9 -4,-2.2 55,-0.2 -3,-1.2 -0.980 47.9-170.1-132.9 139.7 10.1 -3.8 -0.9 35 53 A V E -LM 29 88C 0 53,-2.8 53,-2.8 -2,-0.4 2,-0.5 -0.948 13.4-146.1-121.6 140.1 7.7 -5.3 1.6 36 54 A V E +LM 28 87C 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.2 -0.923 33.8 148.5-102.7 132.4 8.5 -6.5 5.1 37 55 A S E - M 0 86C 0 49,-2.8 49,-2.2 -2,-0.5 2,-0.3 -0.743 49.7 -69.5-141.8-169.7 6.5 -9.5 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.712 32.9-131.2 -87.8 144.3 6.9 -12.5 8.7 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.825 108.7 64.2 -60.9 -32.1 9.2 -15.4 7.7 40 58 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.586 92.3 64.8 -71.6 -6.7 6.4 -17.8 8.6 41 59 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.388 77.3 130.7 -86.9 0.4 4.4 -16.1 5.7 42 60 A Y < + 0 0 137 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.306 22.1 129.6 -60.8 133.6 7.0 -17.5 3.2 43 61 A K - 0 0 57 -2,-0.0 3,-0.3 3,-0.0 2,-0.1 -0.934 53.2 -98.5-165.0 168.8 5.7 -19.3 0.1 44 62 A S S S+ 0 0 99 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.447 95.0 40.6 -84.3 163.7 6.2 -19.2 -3.6 45 63 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.852 74.0 171.3 71.6 39.2 3.8 -17.5 -6.1 46 64 A I - 0 0 9 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.683 18.7-167.7 -86.5 128.7 3.2 -14.3 -4.0 47 65 A Q E -KN 19 66C 50 -28,-2.7 -28,-3.0 -2,-0.4 2,-0.5 -0.977 17.3-140.8-108.1 127.8 1.3 -11.4 -5.5 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.767 12.5-159.0 -88.2 129.0 1.5 -8.2 -3.4 49 67 A R E -KN 17 64C 51 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.943 13.2-178.2-114.9 112.4 -1.7 -6.2 -3.3 50 68 A L E + N 0 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.659 60.7 32.7-104.6 160.7 -1.4 -2.6 -2.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.706 84.5 155.7 68.0 23.2 -4.1 0.1 -1.9 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.570 22.0 149.8 -84.9 141.2 -6.5 -2.5 -0.6 53 71 A D S S+ 0 0 14 1,-0.3 2,-0.8 4,-0.3 -1,-0.1 0.330 81.4 30.3-118.6 -81.3 -9.5 -2.0 1.7 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.3 1,-0.2 -1,-0.3 -0.665 72.9-161.5 -75.4 110.2 -12.1 -4.7 0.7 55 73 A I T 3 S+ 0 0 31 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.590 86.9 54.4 -72.5 -8.2 -9.9 -7.5 -0.4 56 74 A N T 3 S+ 0 0 126 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.470 105.4 56.4 -99.2 -4.1 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 77 -3,-1.3 2,-0.8 76,-0.1 -4,-0.3 -0.985 78.0-127.5-132.4 135.8 -13.8 -6.2 -4.4 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.753 34.1 172.1 -81.9 110.5 -11.8 -4.0 -6.9 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.550 50.5-100.6-104.2 -12.6 -12.5 -0.6 -5.5 60 78 A G S S+ 0 0 61 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.302 103.4 75.7 118.8 -7.2 -10.1 1.5 -7.7 61 79 A N + 0 0 67 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.328 67.8 118.6-113.7 7.1 -7.0 2.3 -5.6 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.358 42.4-165.2 -75.3 150.7 -5.3 -1.1 -5.8 63 81 A Q E -N 50 0C 37 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.985 7.8-160.4-128.7 126.3 -2.0 -2.0 -7.3 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.942 18.4 169.1-107.6 116.7 -1.3 -5.7 -7.9 65 83 A I E -N 48 0C 12 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.989 28.6-130.6-135.7 123.0 2.4 -6.5 -8.3 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.371 29.0-110.9 -68.7 146.9 4.0 -10.0 -8.3 67 85 A A E -O 90 0C 21 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.606 21.6-166.5 -76.0 137.6 7.0 -10.7 -6.1 68 86 A S E S- 0 0 60 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.697 73.1 -3.2 -92.6 -27.9 10.3 -11.2 -7.9 69 87 A K E -O 89 0C 81 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.979 56.5-150.1-159.8 152.5 12.1 -12.6 -4.9 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.970 8.4-162.7-122.7 144.0 11.7 -13.3 -1.2 71 89 A I E -O 87 0C 34 16,-3.1 16,-2.6 -2,-0.4 2,-0.2 -0.917 5.7-160.2-130.0 103.1 14.4 -13.3 1.4 72 90 A V E -O 86 0C 46 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.593 41.2 -90.0 -77.0 142.6 13.8 -15.0 4.7 73 91 A H > - 0 0 23 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.264 33.9-126.2 -54.2 135.8 16.0 -13.9 7.6 74 92 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.746 108.4 44.3 -59.1 -23.5 19.1 -16.1 7.6 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.223 78.9 138.7-107.1 12.0 18.6 -17.0 11.3 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.397 34.7-164.0 -59.3 127.8 14.8 -17.7 11.2 77 95 A N B >> -P 82 0D 65 5,-2.1 4,-2.2 -2,-0.1 5,-0.5 -0.973 7.3-161.8-115.2 112.6 13.9 -20.7 13.2 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.688 87.8 55.1 -69.8 -19.4 10.4 -21.9 12.3 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.934 123.5 22.5 -75.9 -50.1 10.0 -23.9 15.6 80 98 A T T 45S- 0 0 75 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.589 97.1-132.6 -90.2 -14.6 10.7 -21.1 18.0 81 99 A L T ><5 + 0 0 34 -4,-2.2 3,-0.8 1,-0.2 2,-0.2 0.646 48.4 159.8 62.8 19.7 9.8 -18.3 15.5 82 100 A N B 3 < +P 77 0D 39 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.2 -0.526 67.1 16.1 -67.8 136.8 13.0 -16.5 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.900 80.1 179.0 63.0 45.4 13.9 -14.0 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.505 35.9 112.6 -81.5 75.9 10.4 -14.1 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.996 36.9 176.1-148.9 143.0 11.0 -11.6 9.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.992 20.4-137.0-147.9 150.2 11.2 -11.7 5.7 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.4 -0.878 14.0-163.7-107.0 139.6 11.7 -9.2 2.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.8 -2,-0.4 2,-0.4 -0.993 7.2-151.6-124.2 125.5 9.7 -9.4 -0.4 89 107 A K E -MO 34 69C 44 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.1 -0.832 15.5-131.0 -97.9 134.4 10.8 -7.5 -3.6 90 108 A L E - O 0 67C 2 -57,-2.8 -23,-0.2 -2,-0.4 -24,-0.1 -0.589 12.7-129.7 -81.6 141.6 8.2 -6.4 -6.1 91 109 A K S S+ 0 0 146 -25,-2.9 2,-0.3 -2,-0.2 -1,-0.1 0.817 96.9 16.9 -58.4 -33.9 8.7 -7.1 -9.8 92 110 A S S S- 0 0 69 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.968 96.8 -92.9-136.8 154.6 8.1 -3.4 -10.5 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.435 40.9-119.6 -67.7 134.7 8.0 -0.3 -8.3 94 112 A A - 0 0 7 -62,-3.4 2,-0.8 -2,-0.2 -1,-0.1 -0.415 25.6-113.7 -66.2 148.9 4.7 0.6 -6.8 95 113 A S - 0 0 82 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.815 36.6-140.8 -84.7 111.0 3.3 4.1 -7.7 96 114 A L + 0 0 86 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.564 38.8 138.8 -82.0 136.6 3.4 5.9 -4.3 97 115 A N - 0 0 79 3,-2.8 3,-0.3 -2,-0.3 -1,-0.0 -0.805 68.8 -66.7-154.3-169.7 0.6 8.2 -3.5 98 116 A S S S+ 0 0 92 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.762 133.7 39.0 -63.1 -25.3 -1.6 9.2 -0.5 99 117 A R S S+ 0 0 114 1,-0.2 2,-0.4 -87,-0.1 -48,-0.3 0.559 119.1 46.0-103.7 -14.2 -3.2 5.8 -0.4 100 118 A V S S+ 0 0 0 -3,-0.3 -3,-2.8 -50,-0.1 2,-0.3 -0.941 79.6 146.8-129.7 107.2 -0.1 3.7 -1.2 101 119 A A - 0 0 28 -88,-1.3 -72,-0.3 -2,-0.4 2,-0.1 -0.982 44.4-112.2-145.9 149.1 2.8 4.8 0.9 102 120 A S - 0 0 56 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.435 25.9-133.3 -79.3 156.9 5.9 3.4 2.6 103 121 A I - 0 0 15 -74,-2.3 83,-0.1 -89,-0.2 2,-0.1 -0.938 25.9-111.9-111.5 136.5 6.3 3.3 6.4 104 122 A S B -c 186 0B 65 81,-0.7 83,-2.7 -2,-0.4 -73,-0.1 -0.340 24.6-124.5 -66.6 141.2 9.5 4.4 8.0 105 123 A L - 0 0 29 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.520 39.2 -94.9 -75.1 155.0 11.9 1.9 9.7 106 124 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.369 22.1-163.3 -69.6 149.9 12.7 2.7 13.4 107 125 A T S S+ 0 0 132 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.566 85.1 15.5 -97.0 -20.8 15.9 4.6 14.3 108 126 A S S S- 0 0 80 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.978 91.9 -93.1-145.4 159.6 15.4 3.3 17.9 109 127 A c - 0 0 53 -2,-0.3 2,-0.2 -3,-0.1 79,-0.1 -0.460 41.3-118.7 -73.9 141.8 13.4 0.6 19.6 110 128 A A - 0 0 28 -2,-0.1 2,-0.2 78,-0.1 -1,-0.1 -0.570 30.2-125.8 -81.1 145.3 10.0 1.5 21.1 111 129 A S > - 0 0 82 -2,-0.2 3,-2.1 1,-0.1 31,-0.3 -0.481 30.1 -83.3 -91.4 159.1 9.5 1.1 24.8 112 130 A A T 3 S+ 0 0 58 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.318 117.6 35.5 -50.6 136.9 6.9 -0.7 26.9 113 131 A G T 3 S+ 0 0 60 29,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.134 82.2 133.1 96.4 -18.9 3.8 1.6 27.2 114 132 A T < - 0 0 38 -3,-2.1 28,-2.2 27,-0.1 -1,-0.3 -0.467 57.2-126.1 -64.3 132.5 4.1 3.1 23.7 115 133 A Q E +D 141 0B 123 26,-0.2 69,-0.4 -2,-0.2 2,-0.3 -0.664 35.0 179.8 -80.0 136.9 0.8 3.1 21.9 116 134 A d E -D 140 0B 2 24,-2.5 24,-2.3 -2,-0.3 2,-0.5 -0.863 27.7-122.7-133.4 165.5 0.8 1.4 18.5 117 135 A L E -DE 139 182B 37 65,-2.9 65,-2.4 -2,-0.3 2,-0.4 -0.968 23.6-170.6-113.5 122.6 -1.6 0.6 15.6 118 136 A I E +DE 138 181B 0 20,-3.1 20,-2.1 -2,-0.5 2,-0.3 -0.923 13.1 177.8-113.1 136.4 -2.0 -3.0 14.6 119 137 A S E +D 137 0B 0 61,-1.2 2,-0.3 -2,-0.4 18,-0.2 -0.962 11.2 117.0-143.5 154.7 -3.9 -3.8 11.4 120 138 A G E -D 136 0B 1 16,-2.1 16,-2.2 -2,-0.3 56,-0.2 -0.947 59.0 -99.5 167.3 176.7 -5.0 -6.7 9.1 121 139 A W S S+ 0 0 2 54,-0.6 55,-0.2 -2,-0.3 3,-0.1 -0.031 73.5 128.2-108.1 24.1 -7.7 -8.8 7.5 122 140 A G - 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.077 69.3 -53.8 -77.9 179.1 -7.4 -11.7 10.0 123 141 A N - 0 0 8 51,-2.5 8,-0.2 8,-0.2 -1,-0.2 -0.186 38.6-160.0 -52.8 139.7 -10.0 -13.5 12.1 124 142 A T + 0 0 39 6,-2.4 -121,-0.5 -3,-0.1 2,-0.3 0.369 67.1 79.6-105.3 2.1 -12.2 -11.2 14.2 125 143 A K - 0 0 107 5,-0.3 5,-0.1 3,-0.2 -123,-0.1 -0.873 59.9-156.6-111.3 144.0 -13.4 -13.9 16.6 126 144 A S S S+ 0 0 58 -2,-0.3 71,-0.4 72,-0.1 -1,-0.1 0.632 100.4 13.0 -88.9 -17.8 -11.5 -15.4 19.6 127 145 A S S S+ 0 0 114 69,-0.1 -2,-0.1 0, 0.0 69,-0.0 0.656 127.0 45.2-119.0 -54.7 -13.6 -18.6 19.5 128 146 A G S S- 0 0 40 -4,-0.1 2,-0.4 1,-0.0 -3,-0.2 0.224 84.1-108.7 -70.8-162.0 -15.5 -18.7 16.2 129 147 A T + 0 0 105 -5,-0.1 2,-0.3 -6,-0.0 -3,-0.1 -0.975 43.7 152.2-133.6 124.0 -14.2 -17.9 12.7 130 148 A S - 0 0 54 -2,-0.4 -6,-2.4 -5,-0.1 -5,-0.3 -0.865 23.4-159.8-148.5 119.2 -15.2 -14.8 10.8 131 149 A Y - 0 0 120 -2,-0.3 -8,-0.2 -8,-0.2 2,-0.1 -0.870 14.5-140.2-101.3 126.4 -12.9 -13.1 8.3 132 150 A P - 0 0 18 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.443 5.2-149.4 -80.0 156.0 -13.6 -9.5 7.4 133 151 A D S S+ 0 0 72 -2,-0.1 -78,-2.4 -79,-0.1 2,-0.2 0.785 81.2 61.5 -89.1 -33.9 -13.4 -8.2 3.9 134 152 A V S S- 0 0 37 -80,-0.2 -80,-0.2 1,-0.1 2,-0.1 -0.557 100.5 -87.0 -95.5 159.3 -12.3 -4.7 5.0 135 153 A L - 0 0 6 -2,-0.2 -128,-2.0 -129,-0.1 -127,-0.5 -0.408 41.3-152.2 -70.8 133.7 -9.2 -3.8 6.9 136 154 A K E -BD 6 120B 44 -16,-2.2 -16,-2.1 -130,-0.2 2,-0.3 -0.793 8.0-159.2-107.1 149.7 -9.4 -3.9 10.7 137 155 A a E -BD 5 119B 2 -132,-3.1 -132,-2.5 -2,-0.3 2,-0.3 -0.897 8.4-171.3-127.8 152.7 -7.4 -1.8 13.1 138 156 A L E - D 0 118B 4 -20,-2.1 -20,-3.1 -2,-0.3 2,-0.5 -0.961 15.6-147.1-145.9 127.4 -6.4 -2.0 16.8 139 157 A K E + D 0 117B 105 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.847 35.8 162.4 -90.6 127.6 -4.7 0.5 19.0 140 158 A A E - D 0 116B 0 -24,-2.3 -24,-2.5 -2,-0.5 2,-0.2 -0.997 33.6-122.7-149.8 143.7 -2.6 -1.4 21.6 141 159 A P E - D 0 115B 35 0, 0.0 23,-2.3 0, 0.0 2,-0.3 -0.616 29.2-112.2 -85.9 146.6 0.3 -0.7 24.0 142 160 A I B -F 163 0B 9 -28,-2.2 -29,-3.2 -31,-0.3 21,-0.3 -0.589 38.2-136.5 -69.2 136.7 3.7 -2.5 24.0 143 161 A L - 0 0 29 19,-2.9 19,-0.3 -2,-0.3 -29,-0.1 -0.608 23.9 -89.0 -96.8 159.0 4.0 -4.5 27.1 144 162 A S > - 0 0 43 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.300 30.3-122.5 -63.6 148.3 7.0 -4.9 29.4 145 163 A D H > S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 113.7 55.2 -54.8 -42.2 9.5 -7.6 28.7 146 164 A S H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 109.9 43.6 -61.1 -44.4 8.9 -9.0 32.2 147 165 A S H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.867 113.9 51.9 -70.6 -35.1 5.1 -9.3 31.7 148 166 A e H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.948 112.0 45.5 -63.0 -50.0 5.6 -10.8 28.2 149 167 A K H < S+ 0 0 100 -4,-2.9 -2,-0.2 1,-0.2 6,-0.2 0.858 112.0 52.7 -62.0 -35.8 8.1 -13.4 29.6 150 168 A S H < S+ 0 0 93 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.865 109.2 49.2 -67.4 -37.3 5.7 -14.1 32.4 151 169 A A H < S+ 0 0 13 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.839 125.8 27.4 -68.5 -35.0 2.8 -14.7 30.0 152 170 A Y S >X S- 0 0 0 -4,-1.8 3,-1.8 -5,-0.1 4,-0.7 -0.649 83.8-158.0-131.4 73.8 4.9 -17.0 27.8 153 171 A P T 34 S+ 0 0 97 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.263 76.9 4.2 -56.4 134.5 7.6 -18.7 30.0 154 172 A G T 34 S+ 0 0 92 2,-0.1 -5,-0.1 -5,-0.1 -4,-0.1 0.464 116.3 79.7 77.0 4.7 10.6 -20.0 28.0 155 173 A Q T <4 + 0 0 99 -3,-1.8 2,-0.7 -6,-0.2 -1,-0.1 0.561 61.1 93.1-120.4 -15.9 9.4 -18.6 24.6 156 174 A I < - 0 0 18 -4,-0.7 2,-0.1 -7,-0.1 -2,-0.1 -0.770 52.2-173.9 -93.3 114.2 10.2 -14.8 24.4 157 175 A T > - 0 0 37 -2,-0.7 3,-1.5 -77,-0.1 -2,-0.1 -0.410 44.1 -96.1 -93.6 176.1 13.5 -14.0 22.8 158 176 A S T 3 S+ 0 0 90 1,-0.3 53,-0.1 -2,-0.1 -1,-0.1 0.536 122.7 61.8 -68.1 -7.8 15.3 -10.7 22.5 159 177 A N T 3 S+ 0 0 24 51,-0.0 49,-2.7 48,-0.0 2,-0.3 0.148 98.2 69.5-103.9 16.5 13.8 -10.4 19.0 160 178 A M E < - G 0 207B 8 -3,-1.5 2,-0.3 47,-0.3 47,-0.2 -0.955 52.9-176.6-134.1 149.3 10.2 -10.4 20.2 161 179 A F E - G 0 206B 21 45,-2.1 45,-3.1 -2,-0.3 2,-0.3 -0.987 22.0-126.8-140.9 155.5 7.8 -8.2 22.2 162 180 A e E + G 0 205B 0 -19,-0.3 -19,-2.9 -2,-0.3 2,-0.3 -0.757 26.0 178.1 -95.3 144.0 4.3 -8.4 23.4 163 181 A A E +FG 142 204B 0 41,-2.0 41,-1.1 -2,-0.3 2,-0.4 -0.991 38.8 43.1-142.3 147.6 1.6 -5.9 22.7 164 182 A G S S- 0 0 3 -23,-2.3 2,-0.4 -2,-0.3 7,-0.1 -0.976 88.0 -34.8 129.9-137.5 -2.0 -5.7 23.6 165 183 A Y > - 0 0 49 5,-0.6 3,-1.8 -2,-0.4 37,-0.3 -0.981 26.0-154.0-140.7 117.9 -4.1 -6.4 26.7 166 184 A L T 3 S+ 0 0 58 -2,-0.4 35,-3.3 1,-0.3 36,-0.2 0.767 98.5 64.7 -62.6 -25.4 -3.5 -9.0 29.4 167 185 A E T 3 S- 0 0 138 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.646 103.8-140.4 -70.0 -15.9 -7.3 -8.9 30.2 168 186 A G < + 0 0 12 -3,-1.8 31,-0.2 31,-0.3 -1,-0.2 -0.205 67.9 102.7 84.1-177.6 -7.9 -10.3 26.7 169 187 A G S S+ 0 0 41 29,-2.6 2,-0.4 28,-0.1 30,-0.1 0.128 78.7 68.9 91.1 -20.1 -10.6 -9.4 24.1 170 188 A K + 0 0 80 -5,-0.3 -5,-0.6 29,-0.1 2,-0.3 -0.975 65.6 111.5-137.4 118.5 -8.4 -7.3 21.9 171 189 A D B -A 2 0A 5 -169,-2.0 -169,-3.0 -2,-0.4 2,-0.1 -0.978 61.8 -92.7-170.4 163.7 -5.6 -8.9 19.8 172 190 A S - 0 0 8 -2,-0.3 26,-0.3 -171,-0.2 2,-0.3 -0.417 48.7-179.4 -80.4 172.8 -4.3 -9.7 16.4 173 191 A f > - 0 0 11 -2,-0.1 3,-2.5 24,-0.1 4,-0.4 -0.892 35.6 -30.4-159.8-175.2 -5.2 -13.2 15.0 174 192 A Q T 3 S+ 0 0 102 1,-0.3 -51,-2.5 -2,-0.3 -149,-0.1 -0.244 125.0 27.2 -51.6 131.7 -4.9 -15.7 12.2 175 193 A G T 3 S+ 0 0 14 -53,-0.3 -54,-0.6 -151,-0.2 -1,-0.3 0.138 102.2 82.6 96.4 -19.7 -4.6 -13.9 8.9 176 194 A D X + 0 0 0 -3,-2.5 3,-2.2 -56,-0.2 15,-0.3 0.583 64.4 129.9 -84.9 -15.2 -3.0 -10.8 10.4 177 195 A S T 3 S+ 0 0 22 -4,-0.4 -151,-3.2 1,-0.3 15,-0.2 -0.065 70.3 17.8 -41.4 132.9 0.3 -12.6 10.3 178 196 A G T 3 S+ 0 0 0 13,-2.8 -1,-0.3 1,-0.3 -150,-0.2 0.253 98.8 128.1 87.5 -10.4 3.1 -10.6 8.8 179 197 A G < - 0 0 0 -3,-2.2 12,-2.3 1,-0.1 -1,-0.3 -0.129 59.3 -79.4 -79.6 173.4 1.2 -7.3 9.2 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.2 0, 0.0 2,-0.4 -0.392 21.2-169.6 -78.7 145.6 2.3 -4.0 10.8 181 199 A V E -EH 118 189B 0 8,-1.9 8,-2.1 -63,-0.2 7,-2.0 -0.965 25.8-174.2-120.2 109.7 2.7 -2.8 14.3 182 200 A V E -EH 117 187B 12 -65,-2.4 -65,-2.9 -2,-0.4 2,-0.4 -0.922 9.6-177.7-113.7 130.8 3.3 1.0 13.8 183 201 A d E > S- H 0 186B 4 3,-2.5 3,-1.5 -2,-0.5 -67,-0.2 -0.995 72.8 -13.7-131.4 123.2 4.1 3.3 16.7 184 202 A S T 3 S- 0 0 115 -2,-0.4 -1,-0.1 -69,-0.4 3,-0.1 0.865 130.0 -52.4 51.2 40.9 4.6 7.1 16.3 185 203 A G T 3 S+ 0 0 41 1,-0.2 -81,-0.7 -79,-0.0 2,-0.4 0.606 116.5 109.2 76.3 14.3 4.9 6.6 12.5 186 204 A K E < S-cH 104 183B 72 -3,-1.5 -3,-2.5 -83,-0.1 2,-1.0 -0.950 73.9-119.2-121.7 142.9 7.6 3.9 12.7 187 205 A L E + H 0 182B 0 -83,-2.7 -5,-0.2 -2,-0.4 3,-0.1 -0.681 45.2 158.1 -78.7 102.1 7.3 0.1 11.9 188 206 A Q E + 0 0 13 -7,-2.0 21,-1.7 -2,-1.0 22,-0.5 0.702 55.7 27.5 -98.9 -23.4 8.2 -1.4 15.3 189 207 A G E -IH 208 181B 0 -8,-2.1 -8,-1.9 19,-0.2 2,-0.4 -0.936 52.6-149.9-141.2 161.5 6.6 -4.8 15.0 190 208 A I E -IH 207 180B 0 17,-0.7 17,-2.2 -2,-0.3 2,-0.3 -0.996 40.6-106.4-126.6 134.3 5.4 -7.6 12.7 191 209 A V E +I 206 0B 5 -12,-2.3 -13,-2.8 -2,-0.4 15,-0.2 -0.467 57.3 152.4 -63.1 118.5 2.5 -9.8 13.6 192 210 A S E - 0 0 6 13,-1.6 2,-0.3 -2,-0.3 14,-0.2 0.794 45.3 -39.1-118.5 -63.7 4.2 -13.1 14.5 193 211 A W E +I 205 0B 41 12,-2.1 12,-3.2 2,-0.0 -1,-0.3 -0.952 40.9 167.2-161.3 176.4 2.4 -15.4 17.0 194 212 A G - 0 0 25 -2,-0.3 2,-0.8 10,-0.2 10,-0.1 -0.893 48.4 -85.9 175.6 167.0 0.3 -15.9 20.2 195 213 A S S S- 0 0 50 8,-0.3 4,-0.4 -2,-0.3 2,-0.0 -0.819 93.4 -44.3 -93.1 107.2 -1.7 -18.6 22.0 196 214 A G S S- 0 0 45 -2,-0.8 2,-0.4 2,-0.1 -69,-0.1 -0.376 92.7 -70.5 63.8-151.8 -5.1 -18.5 20.4 197 215 A f S S- 0 0 5 -71,-0.4 -24,-0.1 -24,-0.1 -28,-0.1 -0.990 100.6 -5.7-141.8 132.7 -6.4 -14.9 20.0 198 216 A A S S+ 0 0 8 -2,-0.4 -29,-2.6 -26,-0.3 2,-0.2 0.723 85.9 154.3 63.0 24.6 -7.5 -12.3 22.6 199 217 A Q B > -Q 202 0E 84 3,-0.5 3,-1.8 -4,-0.4 -31,-0.3 -0.556 54.6 -90.0 -83.4 149.0 -7.2 -14.8 25.4 200 218 A K T 3 S+ 0 0 155 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.338 109.8 2.6 -58.5 133.2 -6.6 -13.6 29.0 201 219 A N T 3 S+ 0 0 80 -35,-3.3 -1,-0.3 -36,-0.1 -35,-0.1 0.608 109.5 98.4 63.2 18.5 -2.9 -13.4 29.8 202 220 A K B < +Q 199 0E 63 -3,-1.8 -3,-0.5 -37,-0.3 -4,-0.3 -0.631 54.4 177.3-132.2 72.4 -1.9 -14.4 26.3 203 221 A P - 0 0 4 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.188 39.2 -81.0 -72.5 167.9 -1.1 -11.2 24.4 204 222 A G E -G 163 0B 0 -41,-1.1 -41,-2.0 -10,-0.1 2,-0.4 -0.419 39.8-142.1 -66.9 144.6 0.1 -10.9 20.8 205 223 A V E -GI 162 193B 1 -12,-3.2 -12,-2.1 -43,-0.2 -13,-1.6 -0.939 19.9-168.5-114.0 135.8 3.8 -11.5 20.2 206 224 A Y E -GI 161 191B 1 -45,-3.1 -45,-2.1 -2,-0.4 2,-0.3 -0.921 27.9-106.1-130.5 143.8 5.6 -9.4 17.6 207 225 A T E -GI 160 190B 3 -17,-2.2 2,-1.4 -2,-0.3 -17,-0.7 -0.532 37.1-123.1 -69.1 131.6 8.9 -9.5 15.8 208 226 A K E > - I 0 189B 65 -49,-2.7 3,-1.7 -2,-0.3 4,-0.2 -0.603 29.3-173.0 -83.1 90.6 11.1 -6.7 17.1 209 227 A V G > S+ 0 0 0 -21,-1.7 3,-2.3 -2,-1.4 4,-0.3 0.776 74.0 69.7 -61.1 -32.5 11.8 -4.8 13.9 210 228 A c G > S+ 0 0 20 -22,-0.5 3,-0.6 1,-0.3 -1,-0.3 0.767 93.0 60.4 -59.7 -25.6 14.4 -2.4 15.4 211 229 A N G < S+ 0 0 70 -3,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.596 107.0 46.8 -71.4 -12.5 16.8 -5.3 15.8 212 230 A Y G <> S+ 0 0 7 -3,-2.3 4,-3.0 -4,-0.2 5,-0.2 0.326 75.1 104.5-115.4 4.5 16.7 -5.9 12.0 213 231 A V H <> S+ 0 0 22 -3,-0.6 4,-2.7 -4,-0.3 5,-0.2 0.894 84.5 47.5 -60.1 -43.4 17.2 -2.4 10.5 214 232 A S H > S+ 0 0 82 -4,-0.2 4,-2.6 2,-0.2 5,-0.3 0.917 114.0 47.7 -63.1 -44.5 20.8 -3.0 9.5 215 233 A W H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 113.2 48.3 -61.2 -45.5 19.9 -6.3 7.9 216 234 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.947 114.4 45.1 -61.0 -49.3 17.0 -4.7 6.1 217 235 A K H X S+ 0 0 126 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.916 116.2 45.0 -62.5 -45.2 19.0 -1.8 4.8 218 236 A Q H X S+ 0 0 132 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.898 113.7 50.0 -67.8 -39.9 22.0 -3.9 3.7 219 237 A T H >< S+ 0 0 16 -4,-2.6 3,-1.0 -5,-0.3 4,-0.5 0.939 112.4 46.7 -63.7 -47.3 19.8 -6.5 2.1 220 238 A I H >< S+ 0 0 36 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.890 107.4 58.6 -60.7 -38.9 17.9 -3.9 0.1 221 239 A A H 3< S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.671 115.8 33.3 -66.7 -18.2 21.1 -2.2 -0.9 222 240 A S T << 0 0 104 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.256 360.0 360.0-122.7 11.1 22.4 -5.4 -2.6 223 241 A N < 0 0 73 -3,-0.9 -4,-0.0 -4,-0.5 -3,-0.0 -0.697 360.0 360.0-137.8 360.0 19.3 -7.0 -4.0