==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-03 1O3O . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.D.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 15 6.7 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 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 . 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 16 A I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.9 52.6 -3.7 25.0 2 17 A V B +A 171 0A 8 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.890 360.0 9.2-106.8 137.2 52.5 -7.3 23.9 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.708 103.1 120.0 69.7 19.4 54.5 -8.3 20.7 4 19 A G - 0 0 30 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.139 56.2-122.8-100.7-164.0 56.2 -4.8 20.7 5 20 A Y E -B 137 0B 90 132,-2.5 132,-2.8 -3,-0.1 2,-0.4 -0.929 34.7 -81.2-139.4 165.3 59.9 -3.9 20.9 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.527 37.1-151.1 -67.8 122.9 62.1 -1.7 23.2 7 22 A a - 0 0 17 128,-2.4 -1,-0.2 -2,-0.4 129,-0.1 0.885 36.4-113.3 -65.9 -40.7 61.6 1.8 21.9 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 4,-0.0 4,-0.3 0.101 47.7 -58.5 111.1 135.0 65.1 3.1 23.0 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.115 118.6 -8.4 -48.0 133.6 65.6 5.7 25.7 10 25 A N T 3 S+ 0 0 33 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.657 90.8 124.9 49.1 27.6 63.8 9.0 24.9 11 26 A T S < S+ 0 0 81 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.603 77.6 47.7 -85.9 -10.9 62.8 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.689 73.9 173.4-125.2 73.5 59.2 8.9 22.2 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.608 72.2 57.1 -67.0 -12.6 59.7 12.3 23.9 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.511 81.9 107.7 -95.4 -6.1 55.9 13.1 24.3 15 30 A Q E < -J 28 0C 6 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.477 48.3-176.2 -71.7 136.2 55.3 9.9 26.3 16 31 A V E -J 27 0C 0 11,-2.1 11,-1.1 -2,-0.2 2,-0.4 -0.921 20.5-138.4-129.5 159.9 54.6 10.4 30.0 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.948 15.4-141.8-114.5 136.5 54.1 7.9 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.4 -2,-0.4 7,-1.1 -0.907 27.0-169.6-102.0 123.6 51.3 8.8 35.4 19 34 A N E +JK 23 47C 16 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.960 32.1 169.5-121.2 133.6 52.6 7.8 38.8 20 37 A S S S- 0 0 35 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.377 96.9 -46.5-129.9 47.6 50.8 7.5 42.2 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.447 140.6 29.6 100.7 -2.5 53.7 5.6 44.0 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.918 103.1 -81.8-174.4 161.1 53.9 3.3 41.0 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.611 51.3 158.2 -75.2 123.8 53.2 3.6 37.2 24 41 A F E + 0 0 32 -6,-2.4 2,-0.3 -2,-0.4 151,-0.3 0.639 59.7 4.8-123.8 -21.3 49.5 3.2 36.6 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-2.9 151,-0.1 -1,-0.4 -0.974 60.8-125.2-155.3 168.0 48.8 4.9 33.1 26 43 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.436 27.0 177.9-105.5 179.3 50.5 6.5 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.955 24.8-115.8-170.5 174.1 49.8 10.0 28.8 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.5 -0.994 19.2-131.1-129.4 133.3 51.0 12.4 26.0 29 46 A L E + L 0 35C 0 -15,-2.2 74,-1.9 -2,-0.4 6,-0.2 -0.707 28.5 172.9 -79.2 122.6 52.6 15.8 26.5 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.606 68.4 -6.5-110.2 -13.2 50.8 18.3 24.2 31 48 A N E > S- L 0 34C 44 3,-1.2 3,-0.9 70,-0.1 -1,-0.3 -0.920 92.5 -79.9-162.0 173.6 52.3 21.6 25.4 32 49 A S T 3 S+ 0 0 48 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.673 127.2 29.5 -63.6 -13.8 54.7 22.5 28.3 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.369 110.4 69.6-125.1 7.4 51.9 22.5 30.9 34 51 A W E < -LM 31 89C 10 -3,-0.9 -4,-2.3 55,-0.2 -3,-1.2 -0.979 48.7-174.6-132.5 142.5 49.3 20.0 29.6 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.5 -2,-0.4 2,-0.4 -0.945 15.5-144.6-125.8 147.6 49.1 16.2 29.2 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.3 2,-0.2 -0.933 33.3 146.7-114.6 136.0 46.3 14.2 27.6 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.4 -0.755 50.8 -66.8-147.2-166.0 45.5 10.8 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 47,-0.3 -0.747 31.6-132.4 -97.4 141.9 42.4 8.6 29.4 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.834 107.1 65.8 -60.6 -31.0 39.6 9.6 31.7 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.626 93.6 61.9 -70.0 -5.7 39.6 6.0 33.1 41 58 A b G < S+ 0 0 4 -3,-2.1 -1,-0.3 -15,-0.1 -2,-0.2 0.432 77.5 129.1 -94.4 -1.4 43.1 6.8 34.5 42 59 A Y < + 0 0 125 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.0 -0.228 20.5 130.8 -57.6 142.7 41.8 9.6 36.7 43 60 A K - 0 0 52 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.913 54.1-103.2-175.2 167.4 42.8 9.6 40.4 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.610 96.2 50.3 -99.6 166.5 44.1 12.3 42.8 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.930 73.6 164.0 74.0 44.1 47.9 12.3 43.8 46 63 A I - 0 0 11 -3,-0.2 21,-2.0 21,-0.2 2,-0.5 -0.835 21.7-170.4-100.2 133.7 49.1 12.1 40.3 47 64 A Q E -KN 19 66C 49 -28,-2.2 -28,-2.9 -2,-0.5 2,-0.5 -0.975 18.4-140.5-118.0 134.0 52.7 12.9 39.6 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.7 -2,-0.5 2,-0.6 -0.859 12.3-156.6 -98.1 127.4 53.5 13.2 35.9 49 65AA R E -KN 17 64C 48 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.936 13.2-176.1-112.4 115.4 56.9 11.7 35.0 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.9 -2,-0.6 -34,-0.1 -0.671 62.5 30.9-103.6 159.8 58.4 13.0 31.7 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.721 85.8 154.4 62.2 26.7 61.7 11.9 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.542 20.5 147.2 -88.6 150.8 61.2 8.4 31.3 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 82,-0.5 0.321 78.4 34.1-141.0 -68.3 62.6 5.2 29.9 54 72 A N S > S- 0 0 21 80,-0.2 3,-0.7 3,-0.2 -1,-0.4 -0.860 73.1-162.8 -93.5 114.6 63.3 2.8 32.7 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.564 82.7 53.5 -77.9 -5.6 60.6 3.6 35.3 56 74 A N T 3 S+ 0 0 109 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.510 107.4 51.5-103.7 -6.2 62.2 2.0 38.3 57 75 A V S < S- 0 0 73 -3,-0.7 2,-0.5 76,-0.1 -4,-0.2 -0.978 74.2-132.4-128.3 142.9 65.6 3.8 38.0 58 76 A V + 0 0 113 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.833 37.6 159.9 -90.9 126.1 66.5 7.6 37.8 59 77 A E - 0 0 113 -2,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.338 58.6 -81.4-128.2 0.3 69.1 7.7 34.8 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.171 103.5 63.6 110.1 153.8 68.9 11.3 33.9 61 79 A N + 0 0 72 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.222 69.3 129.7 81.4 -9.4 66.4 13.3 31.7 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.429 37.7-169.2 -76.1 147.9 63.4 12.7 34.0 63 81 A Q E -N 50 0C 34 -13,-1.9 -13,-2.8 -2,-0.1 2,-0.6 -0.989 5.8-161.5-134.6 123.1 61.2 15.6 35.2 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.952 18.3 172.8-108.4 116.1 58.7 14.7 37.9 65 83 A I E -N 48 0C 12 -17,-2.7 -17,-3.0 -2,-0.6 2,-0.1 -0.991 29.6-124.8-127.3 132.0 56.0 17.4 38.0 66 84 A S E -N 47 0C 50 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.423 29.9-111.3 -74.4 150.2 52.8 17.1 40.1 67 85 A A E -O 90 0C 22 -21,-2.0 23,-0.3 23,-0.2 -21,-0.2 -0.629 21.4-162.2 -77.6 132.9 49.5 17.5 38.3 68 86 A S E S- 0 0 70 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.860 74.2 -11.9 -86.0 -37.6 47.8 20.8 39.3 69 87 A K E -O 89 0C 82 20,-1.3 20,-2.6 2,-0.0 2,-0.4 -0.982 56.2-145.3-158.9 151.1 44.4 19.6 38.0 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.6 18,-0.2 18,-0.3 -0.974 12.8-159.6-120.2 135.5 42.9 16.8 36.0 71 89 A I E -O 87 0C 33 16,-3.3 16,-2.1 -2,-0.4 2,-0.2 -0.915 6.0-161.3-118.5 100.8 39.9 17.5 33.7 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.610 40.3 -92.8 -80.1 142.1 37.9 14.4 32.8 73 91 A H > - 0 0 21 12,-2.1 3,-2.0 10,-0.3 -1,-0.1 -0.356 33.7-129.8 -54.9 131.7 35.6 14.9 29.7 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.769 108.0 48.6 -58.0 -28.3 32.2 16.0 31.2 75 93 A S T 3 S+ 0 0 76 2,-0.1 2,-0.1 8,-0.1 -2,-0.1 0.143 78.0 136.0-100.3 19.7 30.5 13.3 29.0 76 94 A Y < - 0 0 56 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.502 38.3-161.4 -66.5 137.1 32.9 10.5 30.0 77 95 A N B >> -P 82 0D 64 5,-1.8 4,-2.4 -2,-0.1 5,-0.6 -0.987 7.2-160.2-120.4 113.4 30.8 7.3 30.6 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.677 88.8 56.2 -72.7 -15.4 32.8 4.7 32.7 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.857 124.3 21.4 -85.3 -33.0 30.6 1.8 31.6 80 98 A T T 45S- 0 0 67 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.683 93.8-134.9-104.0 -18.0 31.1 2.3 27.8 81 99 A L T ><5 + 0 0 30 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.685 48.0 159.0 69.2 26.6 34.4 4.3 28.0 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-1.8 1,-0.3 -1,-0.3 -0.578 67.0 18.1 -75.2 144.4 32.8 6.7 25.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.911 81.4 174.0 58.1 48.0 34.7 10.1 25.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.498 32.4 113.9 -83.5 73.6 37.6 8.4 27.4 85 103 A I - 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.995 38.1-178.6-143.6 146.3 39.9 11.5 27.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.990 16.3-146.1-145.4 143.4 41.3 13.6 30.3 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.3 -2,-0.3 2,-0.4 -0.876 12.8-163.0-109.5 142.3 43.5 16.7 30.3 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.5 -2,-0.4 2,-0.4 -0.997 6.7-151.6-126.6 131.7 46.0 17.2 33.2 89 107 A K E -MO 34 69C 47 -20,-2.6 -21,-3.1 -2,-0.4 -20,-1.3 -0.849 20.7-127.8-102.5 140.8 47.6 20.6 33.8 90 108 A L E - O 0 67C 0 -57,-2.6 -23,-0.2 -2,-0.4 -24,-0.1 -0.589 11.5-125.5 -88.5 152.2 51.1 20.5 35.4 91 109 A K S S+ 0 0 143 -25,-2.8 2,-0.3 -2,-0.2 -1,-0.1 0.875 98.8 10.2 -64.4 -41.0 51.9 22.5 38.6 92 110 A S S S- 0 0 64 -26,-0.3 2,-0.2 -60,-0.1 -24,-0.1 -0.876 96.1 -92.3-132.0 166.6 54.9 24.0 36.6 93 111 A A - 0 0 51 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.515 39.8-117.9 -80.3 152.8 55.8 23.9 33.0 94 112 A A - 0 0 8 -62,-2.6 2,-0.6 -2,-0.2 -1,-0.1 -0.533 24.1-116.0 -84.4 157.1 58.2 21.1 31.8 95 113 A S - 0 0 81 -2,-0.1 2,-0.3 6,-0.0 -1,-0.0 -0.836 35.9-150.4 -91.0 124.0 61.6 22.1 30.2 96 114 A L + 0 0 75 -2,-0.6 2,-0.2 3,-0.1 5,-0.2 -0.742 35.6 135.2 -97.8 150.4 61.3 20.9 26.6 97 115 A N S S- 0 0 64 3,-2.5 -1,-0.0 -2,-0.3 0, 0.0 -0.684 74.5 -59.8-162.1-149.0 64.4 19.8 24.7 98 116 A S S S+ 0 0 87 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.807 134.3 47.6 -84.7 -26.9 65.0 16.7 22.5 99 117 A R S S+ 0 0 100 1,-0.2 2,-0.5 -87,-0.1 -48,-0.3 0.743 119.5 38.5 -83.7 -25.0 64.3 14.1 25.2 100 118 A V S S+ 0 0 0 -50,-0.1 -3,-2.5 -49,-0.1 2,-0.3 -0.975 77.5 143.3-128.2 116.1 61.0 15.9 26.4 101 119 A A - 0 0 29 -88,-1.5 -72,-0.3 -2,-0.5 2,-0.1 -0.984 44.0-111.6-148.6 157.8 58.8 17.4 23.6 102 120 A S - 0 0 54 -2,-0.3 2,-0.3 -72,-0.1 -72,-0.3 -0.470 25.3-132.2 -90.7 166.5 55.0 17.7 22.9 103 121 A I - 0 0 18 -74,-1.9 2,-0.2 -89,-0.1 83,-0.1 -0.870 26.5-109.4-113.9 150.3 53.2 16.0 20.1 104 122 A S B -c 186 0B 65 81,-0.7 83,-2.8 -2,-0.3 -73,-0.1 -0.478 23.3-122.8 -81.2 149.2 50.8 17.8 17.7 105 123 A L - 0 0 32 81,-0.2 83,-0.1 -2,-0.2 2,-0.1 -0.578 41.9 -97.1 -85.5 154.8 47.1 17.4 17.8 106 124 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.363 18.3-157.8 -79.2 154.6 45.7 16.2 14.4 107 125 A T S S+ 0 0 128 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.645 86.6 17.7 -98.2 -27.2 44.2 18.6 11.8 108 127 A S S S- 0 0 77 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.940 88.5-100.6-140.4 164.4 42.3 15.6 10.3 109 128 A c - 0 0 55 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.0 -0.463 43.7-114.1 -80.1 160.6 41.3 12.1 11.5 110 129 A A - 0 0 27 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.631 26.9-123.1 -96.2 156.8 43.5 9.2 10.1 111 130 A S > - 0 0 85 -2,-0.2 3,-2.3 1,-0.1 31,-0.3 -0.550 33.9 -84.7 -97.4 163.5 42.2 6.6 7.8 112 132 A A T 3 S+ 0 0 52 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.299 118.4 38.4 -58.7 148.1 42.1 2.8 8.1 113 133 A G T 3 S+ 0 0 53 29,-3.2 -1,-0.3 1,-0.3 30,-0.1 0.150 81.0 133.9 92.9 -22.3 45.4 1.4 7.0 114 134 A T < - 0 0 37 -3,-2.3 28,-2.2 27,-0.1 2,-0.4 -0.442 54.8-133.7 -62.9 136.9 47.4 4.3 8.6 115 135 A Q E -D 141 0B 102 26,-0.2 69,-0.4 -3,-0.1 2,-0.3 -0.748 30.1-177.8 -92.3 136.9 50.3 2.9 10.5 116 136 A d E -D 140 0B 6 24,-2.5 24,-2.6 -2,-0.4 2,-0.5 -0.895 26.6-124.0-133.2 162.9 50.8 4.3 14.0 117 137 A L E -DE 139 182B 37 65,-2.6 65,-2.4 -2,-0.3 2,-0.4 -0.935 24.5-173.4-110.1 129.3 53.2 3.9 16.9 118 138 A I E +DE 138 181B 0 20,-2.7 20,-1.9 -2,-0.5 2,-0.3 -0.962 11.0 179.8-120.2 136.7 51.7 2.9 20.2 119 139 A S E +D 137 0B 0 61,-0.9 2,-0.3 -2,-0.4 18,-0.2 -0.947 12.0 124.3-139.4 160.7 54.0 2.9 23.3 120 140 A G E -D 136 0B 1 16,-2.2 16,-2.1 -2,-0.3 56,-0.2 -0.928 58.8-104.5 165.6 172.3 53.8 2.2 27.0 121 141 A W S S+ 0 0 1 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.142 73.5 129.4-108.9 29.8 55.0 0.3 30.1 122 142 A G - 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.251 70.0 -54.8 -83.8 174.6 52.0 -1.9 30.2 123 143 A N - 0 0 7 51,-2.7 8,-0.2 8,-0.1 -1,-0.2 -0.116 38.6-162.6 -49.3 141.1 51.8 -5.7 30.4 124 144 A T + 0 0 43 6,-2.1 -121,-0.5 -3,-0.1 2,-0.4 0.291 69.1 77.4-108.9 4.7 53.9 -7.6 27.7 125 145 A K - 0 0 99 5,-0.3 3,-0.3 3,-0.3 5,-0.2 -0.916 61.7-157.1-115.5 142.2 52.1 -11.0 28.2 126 146 A S S S+ 0 0 51 -2,-0.4 71,-0.4 1,-0.3 2,-0.4 0.617 96.2 39.3 -91.1 -14.0 48.6 -11.7 26.9 127 147 A S S S- 0 0 90 69,-0.1 -1,-0.3 -3,-0.0 2,-0.2 -0.823 125.0 -0.1-131.6 90.0 48.3 -14.4 29.6 128 148 A G S S- 0 0 44 -2,-0.4 2,-0.5 -3,-0.3 -3,-0.3 -0.582 90.2 -73.1 119.9 174.8 49.8 -13.3 33.0 129 149 A T + 0 0 93 -2,-0.2 2,-0.4 -5,-0.1 -3,-0.1 -0.947 46.3 157.3-115.9 122.4 51.6 -10.1 34.1 130 150 A S - 0 0 60 -2,-0.5 -6,-2.1 -5,-0.2 -5,-0.3 -0.975 19.4-167.6-139.0 121.6 55.1 -9.1 33.0 131 151 A Y - 0 0 106 -2,-0.4 -8,-0.1 -8,-0.2 -9,-0.1 -0.947 15.5-135.4-112.2 129.7 55.7 -5.3 33.3 132 152 A P - 0 0 19 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.356 8.2-139.4 -82.0 166.8 58.9 -4.0 31.7 133 153 A D S S+ 0 0 84 -79,-0.1 -78,-2.5 -2,-0.1 2,-0.2 0.847 86.8 53.0 -89.6 -41.3 61.2 -1.5 33.2 134 154 A V S S- 0 0 31 -80,-0.3 -80,-0.2 1,-0.1 2,-0.1 -0.589 97.4 -85.1-102.6 161.5 61.6 0.2 29.9 135 155 A L - 0 0 3 -82,-0.5 -128,-2.4 -2,-0.2 -127,-0.5 -0.333 40.4-155.3 -62.2 127.9 59.3 1.7 27.3 136 156 A K E -BD 6 120B 46 -16,-2.1 -16,-2.2 -130,-0.2 2,-0.3 -0.819 5.9-159.0-110.3 149.7 57.9 -0.6 24.7 137 157 A a E -BD 5 119B 2 -132,-2.8 -132,-2.5 -2,-0.3 2,-0.3 -0.865 9.0-173.2-124.3 154.4 56.7 0.3 21.2 138 158 A L E - D 0 118B 6 -20,-1.9 -20,-2.7 -2,-0.3 2,-0.6 -0.977 17.4-146.0-150.8 132.9 54.4 -1.2 18.6 139 159 A K E + D 0 117B 121 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.879 35.3 166.2 -98.6 123.0 53.7 -0.1 15.1 140 160 A A E - D 0 116B 0 -24,-2.6 -24,-2.5 -2,-0.6 2,-0.3 -0.998 31.3-122.3-139.7 145.1 50.0 -1.0 14.3 141 161 A P E - D 0 115B 23 0, 0.0 23,-2.0 0, 0.0 2,-0.3 -0.613 25.9-114.4 -86.9 150.3 47.5 -0.0 11.6 142 162 A I B -F 163 0B 12 -28,-2.2 -29,-3.2 -31,-0.3 21,-0.3 -0.626 39.7-136.1 -75.7 134.3 44.2 1.6 12.2 143 163 A L - 0 0 27 19,-2.7 19,-0.3 -2,-0.3 2,-0.1 -0.434 22.0 -92.6 -91.7 168.2 41.5 -0.9 11.1 144 164 A S > - 0 0 41 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.440 34.9-115.0 -76.4 158.0 38.4 -0.2 9.1 145 165 A D H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.853 114.4 57.9 -61.9 -36.0 35.2 0.6 11.0 146 166 A S H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 108.6 44.6 -62.7 -47.3 33.5 -2.6 9.7 147 167 A S H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.930 114.4 50.2 -64.2 -39.6 36.3 -4.8 11.1 148 168 A e H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.960 114.9 42.1 -61.3 -51.9 36.2 -2.8 14.4 149 169 A K H < S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.722 111.9 55.3 -67.6 -24.8 32.4 -3.1 14.8 150 170 A S H < S+ 0 0 95 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.856 110.7 46.9 -76.5 -35.0 32.5 -6.7 13.7 151 171 A A H < S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.914 128.3 22.6 -72.1 -42.5 35.0 -7.4 16.5 152 172 A Y S >X S- 0 0 0 -4,-2.2 3,-2.2 -5,-0.2 4,-0.6 -0.619 85.5-157.7-121.8 69.4 33.1 -5.5 19.3 153 173 A P T 34 S- 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.232 77.2 -1.7 -53.9 130.1 29.4 -5.4 18.0 154 174 A G T 34 S+ 0 0 87 -5,-0.2 -5,-0.1 2,-0.1 -4,-0.1 0.493 114.6 88.7 68.0 6.1 27.5 -2.5 19.7 155 175 A Q T <4 + 0 0 90 -3,-2.2 2,-0.5 -6,-0.2 -1,-0.1 0.496 65.4 86.2-110.0 -3.0 30.5 -1.4 21.8 156 176 A I < - 0 0 22 -4,-0.6 2,-0.2 -7,-0.1 -2,-0.1 -0.842 54.4-172.3-100.7 124.9 32.2 1.0 19.4 157 177 A T > - 0 0 39 -2,-0.5 3,-1.4 -77,-0.1 -2,-0.1 -0.506 45.0 -97.1-102.9 177.2 31.0 4.7 19.3 158 178 A S T 3 S+ 0 0 88 1,-0.3 53,-0.1 -2,-0.2 -1,-0.0 0.487 121.6 65.9 -74.6 2.2 32.2 7.3 16.8 159 179 A N T 3 S+ 0 0 27 48,-0.0 49,-2.3 51,-0.0 2,-0.3 0.104 97.2 67.2-108.5 21.1 34.7 8.5 19.3 160 180 A M E < - G 0 207B 7 -3,-1.4 2,-0.3 47,-0.3 47,-0.2 -0.953 56.1-178.1-136.2 155.5 36.6 5.2 19.2 161 181 A F E - G 0 206B 11 45,-1.8 45,-2.8 -2,-0.3 2,-0.3 -0.972 23.0-126.9-148.8 155.2 38.6 3.4 16.5 162 182 A e E + G 0 205B 1 -2,-0.3 -19,-2.7 -19,-0.3 2,-0.3 -0.805 26.2 174.7-105.2 148.4 40.4 -0.0 16.5 163 183 A A E +FG 142 204B 0 41,-1.7 41,-1.3 -2,-0.3 2,-0.3 -0.977 35.8 63.3-146.6 150.3 44.0 -0.5 15.6 164 184 A G S S- 0 0 3 -23,-2.0 2,-0.4 -2,-0.3 7,-0.1 -0.950 80.9 -50.0 137.3-160.5 46.0 -3.7 15.8 165 184AA Y > - 0 0 50 5,-0.7 3,-1.1 -2,-0.3 37,-0.3 -0.986 25.2-158.4-126.0 119.6 46.3 -7.2 14.4 166 185 A L T 3 S+ 0 0 57 -2,-0.4 35,-3.1 1,-0.3 36,-0.1 0.698 94.4 66.4 -71.4 -19.8 43.3 -9.6 14.2 167 186 A E T 3 S- 0 0 126 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.706 106.6-134.0 -75.5 -16.4 45.6 -12.6 14.0 168 187 A G S < S+ 0 0 10 -3,-1.1 31,-0.2 31,-0.3 -1,-0.2 -0.324 70.7 98.6 93.3 178.6 46.7 -11.7 17.6 169 188 A G S S+ 0 0 38 29,-2.0 2,-0.4 28,-0.1 30,-0.1 0.094 79.3 64.3 90.0 -26.0 50.2 -11.5 19.2 170 188AA K + 0 0 83 -5,-0.2 -5,-0.7 29,-0.1 2,-0.3 -0.985 63.9 113.7-135.3 125.0 50.7 -7.7 19.1 171 189 A D B -A 2 0A 6 -169,-1.8 -169,-2.9 -2,-0.4 2,-0.2 -0.981 61.3 -94.5-172.1 172.3 48.5 -5.2 21.0 172 190 A S - 0 0 7 -2,-0.3 26,-0.4 -171,-0.2 2,-0.3 -0.514 47.2-175.0 -91.7 171.3 48.6 -2.6 23.8 173 191 A f > - 0 0 12 -2,-0.2 3,-2.4 24,-0.1 4,-0.5 -0.886 37.4 -41.8-153.1-177.1 47.5 -4.0 27.3 174 192 A Q T 3 S+ 0 0 105 1,-0.3 -51,-2.7 -2,-0.3 -149,-0.1 -0.255 125.4 36.6 -55.6 138.6 46.8 -2.8 30.9 175 193 A G T 3 S+ 0 0 15 -53,-0.3 -54,-0.5 -151,-0.3 -1,-0.3 -0.002 102.9 76.5 103.9 -28.8 49.4 -0.3 32.0 176 194 A D X + 0 0 0 -3,-2.4 3,-2.1 -56,-0.2 15,-0.3 0.654 67.8 126.3 -85.2 -18.5 49.4 1.2 28.5 177 195 A S T 3 S+ 0 0 17 -4,-0.5 -151,-3.2 1,-0.3 15,-0.2 -0.075 70.2 21.3 -40.5 135.9 46.1 3.0 29.2 178 196 A G T 3 S+ 0 0 0 13,-2.6 -1,-0.3 1,-0.3 -150,-0.1 0.173 98.5 124.7 87.5 -18.0 46.1 6.7 28.6 179 197 A G < - 0 0 0 -3,-2.1 12,-2.5 1,-0.1 -1,-0.3 -0.143 61.0 -80.5 -78.3 174.7 49.0 6.5 26.3 180 198 A P E - H 0 190B 0 0, 0.0 -61,-0.9 0, 0.0 2,-0.5 -0.316 19.5-169.8 -80.2 150.0 49.6 7.7 22.7 181 199 A V E -EH 118 189B 0 8,-1.2 7,-2.4 -63,-0.2 8,-1.9 -0.974 27.1-172.6-132.0 106.8 48.7 6.3 19.2 182 200 A V E -EH 117 187B 13 -65,-2.4 -65,-2.6 -2,-0.5 2,-0.4 -0.955 10.3-179.1-114.9 128.6 50.7 8.6 16.9 183 201 A d E > S- H 0 186B 3 3,-2.1 3,-1.6 -2,-0.5 -67,-0.2 -0.994 72.4 -12.2-127.5 130.0 50.3 8.5 13.2 184 202 A S T 3 S- 0 0 110 -69,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.865 128.9 -53.4 47.2 46.0 52.3 10.7 10.9 185 203 A G T 3 S+ 0 0 44 1,-0.2 -81,-0.7 -3,-0.1 2,-0.4 0.695 116.2 108.6 69.1 18.5 53.5 12.9 13.8 186 204 A K E < S-cH 104 183B 68 -3,-1.6 -3,-2.1 -83,-0.1 2,-0.9 -0.975 75.6-118.0-128.3 145.2 50.0 13.6 15.1 187 209 A L E + H 0 182B 0 -83,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.692 44.9 160.6 -79.0 108.4 48.3 12.3 18.2 188 210 A Q E + 0 0 11 -7,-2.4 21,-1.4 -2,-0.9 22,-0.5 0.717 55.8 18.7-104.4 -27.1 45.4 10.3 16.7 189 211 A G E -IH 208 181B 0 -8,-1.9 -8,-1.2 19,-0.2 2,-0.4 -0.909 53.6-144.0-142.0 170.5 44.4 8.0 19.6 190 212 A I E -IH 207 180B 0 17,-0.8 17,-2.2 -2,-0.3 2,-0.3 -0.993 41.5-106.5-130.7 132.0 44.6 7.3 23.4 191 213 A V E +I 206 0B 5 -12,-2.5 -13,-2.6 -2,-0.4 15,-0.2 -0.481 55.9 155.6 -62.8 122.0 44.9 3.7 24.6 192 214 A S E - 0 0 5 13,-1.7 2,-0.2 1,-0.3 14,-0.2 0.777 45.7 -40.6-117.4 -68.7 41.5 2.9 26.0 193 215 A W E +I 205 0B 50 12,-1.7 12,-2.8 -19,-0.0 -1,-0.3 -0.857 41.3 169.6-153.1-173.6 40.3 -0.7 26.1 194 216 A G - 0 0 26 -2,-0.2 2,-0.7 10,-0.2 10,-0.1 -0.918 48.8 -85.5 174.7 176.2 40.2 -4.1 24.4 195 217 A S S S- 0 0 44 8,-0.3 4,-0.4 -2,-0.3 7,-0.0 -0.916 92.7 -40.6-104.8 108.4 39.2 -7.7 25.5 196 219 A G S S- 0 0 54 -2,-0.7 2,-0.4 2,-0.1 -69,-0.1 -0.285 93.9 -72.1 67.6-162.4 42.2 -9.3 27.0 197 220 A f S S- 0 0 17 -71,-0.4 -28,-0.1 1,-0.1 -24,-0.1 -0.999 100.9 -6.2-138.2 135.8 45.4 -8.5 25.1 198 221 A A S S+ 0 0 8 -2,-0.4 -29,-2.0 -26,-0.4 2,-0.3 0.757 85.2 155.9 55.2 32.9 46.7 -9.6 21.8 199 221AA Q B > -Q 202 0E 80 3,-0.5 3,-1.9 -4,-0.4 -31,-0.3 -0.622 53.0 -93.9 -87.8 148.2 43.8 -12.1 21.5 200 222 A K T 3 S+ 0 0 137 1,-0.3 -33,-0.2 -2,-0.3 -34,-0.1 -0.291 107.5 4.4 -58.8 142.1 42.8 -13.1 18.0 201 223 A N T 3 S+ 0 0 80 -35,-3.1 -1,-0.3 1,-0.1 -35,-0.1 0.569 108.0 100.4 56.2 13.3 40.0 -11.0 16.4 202 224 A K B < +Q 199 0E 73 -3,-1.9 -3,-0.5 -37,-0.3 -4,-0.2 -0.718 54.5 179.3-124.0 78.4 40.0 -8.7 19.6 203 225 A P - 0 0 2 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.190 36.0 -87.1 -74.6 170.8 42.0 -5.6 18.5 204 226 A G E -G 163 0B 0 -41,-1.3 -41,-1.7 -10,-0.1 2,-0.4 -0.494 35.2-141.1 -79.0 153.9 42.7 -2.6 20.8 205 227 A V E -GI 162 193B 0 -12,-2.8 -12,-1.7 -43,-0.2 -13,-1.7 -0.944 20.5-168.0-117.1 134.8 40.1 0.2 20.9 206 228 A Y E -GI 161 191B 1 -45,-2.8 -45,-1.8 -2,-0.4 2,-0.3 -0.923 28.9-105.7-126.3 148.4 41.4 3.8 21.1 207 229 A T E -GI 160 190B 3 -17,-2.2 2,-1.3 -2,-0.3 -17,-0.8 -0.580 37.9-125.9 -72.8 133.9 39.8 7.2 21.9 208 230 A K E > - I 0 189B 50 -49,-2.3 3,-1.6 -2,-0.3 4,-0.2 -0.666 26.3-171.8 -87.0 90.9 39.6 9.1 18.6 209 231 A V G > S+ 0 0 0 -21,-1.4 3,-2.5 -2,-1.3 4,-0.4 0.791 73.9 73.3 -55.8 -34.8 41.4 12.3 19.4 210 232 A c G > S+ 0 0 23 -22,-0.5 3,-0.6 1,-0.3 -1,-0.3 0.787 93.8 58.9 -55.3 -24.3 40.5 14.2 16.1 211 233 A N G < S+ 0 0 66 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.609 108.5 44.2 -80.7 -8.9 36.9 14.5 17.5 212 234 A Y G <> S+ 0 0 7 -3,-2.5 4,-2.4 -4,-0.2 5,-0.2 0.286 75.9 104.6-117.3 9.2 38.2 16.4 20.6 213 235 A V H <> S+ 0 0 12 -3,-0.6 4,-2.6 -4,-0.4 5,-0.2 0.906 85.0 46.1 -63.0 -38.4 40.6 18.9 19.3 214 236 A S H > S+ 0 0 78 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 113.8 50.5 -67.3 -38.9 38.3 21.9 19.6 215 237 A W H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.905 111.8 48.1 -63.3 -44.5 37.3 20.8 23.2 216 238 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.966 113.5 46.3 -64.3 -50.9 41.0 20.4 24.1 217 239 A K H X S+ 0 0 131 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.918 115.7 45.9 -59.8 -42.8 41.9 23.9 22.7 218 240 A Q H X S+ 0 0 129 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.927 114.1 47.7 -66.5 -45.8 38.9 25.5 24.4 219 241 A T H >X S+ 0 0 16 -4,-2.8 4,-0.5 -5,-0.2 3,-0.5 0.943 113.5 46.6 -64.3 -45.7 39.5 23.8 27.8 220 242 A I H >< S+ 0 0 36 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.943 110.0 55.9 -61.3 -44.0 43.3 24.6 27.8 221 243 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.782 112.3 41.3 -60.7 -28.0 42.4 28.2 26.8 222 244 A S H << 0 0 88 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.395 360.0 360.0-104.0 9.9 40.2 28.7 29.8 223 245 A N << 0 0 83 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.134 360.0 360.0-129.5 360.0 42.3 26.9 32.5