==== 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 1O34 . 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) . 9138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 69 30.9 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 . 3 1.3 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 . 16 7.2 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 . 13 5.8 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 . 3 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, 0.0 171,-0.2 0.000 360.0 360.0 360.0 129.7 52.7 -3.6 25.4 2 17 A V B +A 171 0A 9 169,-2.7 169,-2.2 1,-0.2 123,-0.1 -0.943 360.0 11.1-112.7 132.8 52.7 -7.3 24.3 3 18 A G S S+ 0 0 47 121,-0.4 -1,-0.2 -2,-0.4 167,-0.1 0.632 102.4 120.9 75.1 16.6 54.8 -8.3 21.2 4 19 A G - 0 0 30 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.179 55.8-123.6 -99.3-168.0 56.5 -4.9 21.1 5 20 A Y E -B 137 0B 91 132,-2.4 132,-2.9 -3,-0.1 2,-0.5 -0.842 35.4 -82.9-132.9 170.2 60.2 -3.9 21.3 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.616 37.3-147.8 -74.4 122.0 62.3 -1.7 23.5 7 22 A a - 0 0 16 128,-2.2 -1,-0.2 -2,-0.5 129,-0.1 0.908 35.5-113.5 -61.6 -42.1 61.8 1.8 22.1 8 23 A G > - 0 0 28 127,-0.4 3,-1.6 -3,-0.1 4,-0.3 -0.017 50.2 -56.9 115.0 138.9 65.3 3.1 23.0 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.192 117.6 -10.0 -54.7 133.1 65.8 5.9 25.6 10 25 A N T 3 S+ 0 0 37 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.691 90.9 127.2 51.9 29.2 64.0 9.1 24.9 11 26 A T S < S+ 0 0 81 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.565 76.1 47.2 -87.8 -6.1 63.0 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.686 74.8 174.5-128.1 73.9 59.3 8.9 22.1 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.629 72.2 57.7 -69.1 -12.7 59.8 12.3 23.7 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.472 80.7 108.8 -94.7 -1.0 56.1 13.1 24.1 15 30 A Q E < -J 28 0C 7 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.570 47.9-175.5 -74.5 129.7 55.4 10.0 26.2 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.865 20.0-138.3-123.7 163.7 54.7 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.7 -2,-0.3 2,-0.5 -0.963 14.8-141.7-115.5 132.4 54.1 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.1 -2,-0.4 7,-1.0 -0.869 28.6-168.6 -98.1 128.9 51.3 9.3 35.3 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.4 -2,-0.5 4,-0.2 -0.976 35.4 165.6-126.9 134.9 52.5 8.4 38.8 20 37 A S S S- 0 0 35 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.407 96.7 -46.1-132.9 49.0 50.9 8.2 42.3 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.389 139.7 28.2 101.0 -7.8 53.7 6.2 44.1 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.937 102.0 -83.1-170.8 164.8 53.9 3.8 41.1 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.672 49.8 159.1 -81.0 127.8 53.2 4.1 37.3 24 41 A F E + 0 0 30 -6,-2.1 2,-0.3 -2,-0.4 151,-0.3 0.586 60.0 3.9-126.6 -20.0 49.5 3.6 36.6 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.986 60.8-129.2-158.8 165.1 48.8 5.2 33.1 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.439 24.6 178.0-107.5-175.3 50.6 6.9 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.967 25.2-110.7-173.0 174.5 49.8 10.2 28.5 28 45 A S E -JL 15 36C 1 8,-2.5 8,-2.6 -2,-0.3 2,-0.5 -0.984 19.2-131.4-126.8 135.8 51.0 12.5 25.7 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.705 28.0 172.1 -81.5 123.0 52.6 16.0 26.1 30 47 A I E - 0 0 20 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.582 69.3 -8.9-110.9 -10.7 50.8 18.3 23.6 31 48 A N E > S- L 0 34C 45 3,-1.1 3,-0.6 70,-0.1 -1,-0.3 -0.897 92.8 -77.7-164.8 178.7 52.4 21.8 24.7 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.625 126.4 28.1 -70.9 -11.9 54.5 22.7 27.8 33 50 A Q T 3 S+ 0 0 56 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.316 110.4 72.7-126.2 7.5 51.8 22.8 30.4 34 51 A W E < -LM 31 89C 10 -3,-0.6 -4,-2.4 55,-0.2 -3,-1.1 -0.972 48.3-177.0-132.6 138.0 49.2 20.3 29.0 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.5 -2,-0.4 2,-0.4 -0.899 16.1-144.1-122.2 148.9 49.1 16.5 28.7 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.5 -2,-0.3 2,-0.2 -0.956 33.3 144.1-118.7 134.9 46.3 14.3 27.2 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.3 -0.718 49.8 -65.3-146.8-163.1 45.4 10.9 28.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.2 -0.751 32.1-129.7-100.5 145.6 42.3 8.8 29.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.827 107.7 62.1 -62.4 -32.4 39.4 9.7 31.4 40 57 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.588 93.1 65.4 -73.9 -2.3 39.6 6.3 33.1 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.498 76.4 127.6 -91.4 -2.5 43.1 7.1 34.3 42 59 A Y < + 0 0 123 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.0 -0.294 21.5 130.9 -58.3 131.5 41.7 9.9 36.5 43 60 A K - 0 0 57 -2,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.929 54.2-105.0-162.9 174.8 42.7 9.9 40.2 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.695 94.8 53.1-106.1 165.5 44.0 12.7 42.5 45 62 A G S S+ 0 0 66 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.908 73.1 164.2 78.9 40.5 47.7 12.8 43.6 46 63 A I - 0 0 11 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.834 22.3-172.8-101.6 129.9 49.1 12.6 40.1 47 64 A Q E -KN 19 66C 51 -28,-2.4 -28,-2.8 -2,-0.5 2,-0.5 -0.952 19.8-141.6-112.3 131.9 52.6 13.5 39.4 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.5 -2,-0.5 2,-0.6 -0.828 13.5-155.2 -96.4 131.3 53.4 13.6 35.6 49 65AA R E -KN 17 64C 48 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.944 12.8-174.1-118.1 117.7 56.8 12.2 34.8 50 66 A L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.628 61.0 29.5-103.4 159.0 58.5 13.4 31.6 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.690 84.3 154.2 62.6 24.6 61.8 12.3 29.9 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.486 22.7 150.8 -86.7 153.2 61.5 8.8 31.3 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.196 81.9 31.9-138.4 -82.9 62.9 5.6 29.9 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.8 1,-0.2 -1,-0.4 -0.684 73.6-162.5 -78.6 114.6 63.5 3.3 33.0 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.576 86.0 53.2 -78.2 -3.4 60.6 4.4 35.4 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.521 105.9 56.5-105.3 -8.2 62.4 2.8 38.4 57 75 A V S < S- 0 0 73 -3,-0.8 2,-1.0 76,-0.2 -4,-0.3 -0.979 75.5-134.0-123.5 136.8 65.8 4.5 38.0 58 76 A V + 0 0 117 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.781 37.9 163.6 -86.5 108.3 66.5 8.4 37.8 59 77 A E - 0 0 105 -2,-1.0 -1,-0.2 1,-0.3 2,-0.1 0.513 55.2 -89.4-105.8 -7.1 68.9 8.2 34.8 60 78 A G S S+ 0 0 34 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.185 103.2 67.5 110.8 152.9 68.8 11.9 33.9 61 79 A N + 0 0 66 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.205 69.3 131.2 86.0 -10.4 66.4 13.8 31.6 62 80 A E - 0 0 33 -13,-0.1 2,-0.4 -11,-0.0 -1,-0.3 -0.417 37.0-170.4 -72.6 148.9 63.4 13.3 33.9 63 81 A Q E -N 50 0C 30 -13,-1.7 -13,-2.9 -3,-0.1 2,-0.6 -0.977 6.3-161.6-138.1 121.9 61.1 16.2 34.9 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.953 18.1 171.7-108.7 114.5 58.6 15.4 37.7 65 83 A I E -N 48 0C 20 -17,-2.5 -17,-3.0 -2,-0.6 2,-0.1 -0.988 29.6-125.3-128.4 133.2 55.8 18.0 37.7 66 84 A S E -N 47 0C 46 -2,-0.4 25,-2.7 -19,-0.2 2,-0.3 -0.415 28.3-112.9 -75.0 153.7 52.6 17.8 39.7 67 85 A A E -O 90 0C 22 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.676 20.2-163.2 -80.9 135.5 49.3 18.1 37.9 68 86 A S E S- 0 0 78 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.792 74.6 -10.5 -91.5 -31.0 47.5 21.3 38.9 69 87 A K E -O 89 0C 84 20,-1.4 20,-3.0 -3,-0.1 2,-0.4 -0.958 55.0-145.4-164.9 149.5 44.2 19.9 37.5 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.960 12.7-159.5-117.8 133.2 42.7 17.1 35.5 71 89 A I E -O 87 0C 31 16,-3.2 16,-2.1 -2,-0.4 2,-0.2 -0.920 6.8-161.3-117.3 101.5 39.7 17.8 33.2 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.590 40.5 -92.1 -79.1 143.7 37.8 14.6 32.4 73 91 A H > - 0 0 23 12,-1.9 3,-2.0 10,-0.3 -1,-0.1 -0.349 33.9-129.7 -56.6 133.3 35.5 15.0 29.3 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.775 107.3 47.4 -59.6 -26.4 32.1 16.1 30.7 75 93 A S T 3 S+ 0 0 75 2,-0.1 -2,-0.1 8,-0.1 2,-0.1 0.143 78.2 138.0-101.1 18.1 30.3 13.4 28.6 76 94 A Y < - 0 0 56 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.432 38.8-158.5 -62.9 138.2 32.7 10.5 29.6 77 95 A N B >>> -P 82 0D 65 5,-2.0 4,-2.6 1,-0.1 5,-0.7 -0.957 6.0-160.5-118.9 107.0 30.7 7.3 30.3 78 96 A S T 345S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.629 89.1 54.6 -65.6 -12.4 32.7 4.9 32.6 79 97 A N T 345S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.808 123.8 21.8 -92.4 -31.2 30.5 1.9 31.5 80 98 A T T <45S- 0 0 69 -3,-0.5 -2,-0.2 2,-0.1 77,-0.1 0.635 95.4-134.6-105.1 -16.6 30.9 2.3 27.7 81 99 A L T ><5 + 0 0 31 -4,-2.6 3,-0.7 1,-0.3 2,-0.2 0.688 48.1 160.4 68.7 26.5 34.3 4.3 28.0 82 100 A N B 3 < +P 77 0D 34 -5,-0.7 -5,-2.0 1,-0.2 -1,-0.3 -0.621 64.6 19.3 -76.6 141.4 32.7 6.6 25.3 83 101 A N T 3 S+ 0 0 20 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.899 81.5 174.8 64.6 48.1 34.6 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.493 31.9 112.4 -83.8 76.7 37.5 8.4 27.1 85 103 A I - 0 0 0 -2,-2.0 -12,-1.9 -47,-0.2 2,-0.3 -0.994 38.2-178.9-147.2 146.6 39.8 11.5 27.1 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.989 16.0-145.7-145.3 146.2 41.2 13.7 29.9 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.2 -2,-0.3 2,-0.4 -0.911 11.5-160.6-113.7 141.2 43.5 16.8 29.9 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.4 -2,-0.4 2,-0.4 -0.989 6.5-150.9-122.9 132.2 45.9 17.4 32.7 89 107 A K E -MO 34 69C 50 -20,-3.0 -21,-3.1 -2,-0.4 -20,-1.4 -0.868 20.3-129.5-101.9 136.3 47.3 20.9 33.3 90 108 A L E - O 0 67C 0 -57,-2.6 -23,-0.2 -2,-0.4 -24,-0.1 -0.610 10.0-128.1 -87.3 148.9 50.9 20.9 34.9 91 109 A K S S+ 0 0 139 -25,-2.7 2,-0.3 -2,-0.2 -1,-0.1 0.905 98.7 15.0 -60.1 -47.7 51.7 23.1 38.0 92 110 A S S S- 0 0 76 -26,-0.3 2,-0.1 -60,-0.1 -24,-0.1 -0.865 96.0 -99.4-124.6 160.6 54.8 24.5 36.1 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.532 42.4-112.5 -78.2 151.3 55.5 24.4 32.4 94 112 A A - 0 0 8 -62,-2.9 2,-0.6 -2,-0.1 -1,-0.1 -0.576 21.7-116.0 -84.8 152.8 58.1 21.7 31.3 95 113 A S - 0 0 85 -2,-0.2 2,-0.4 6,-0.0 5,-0.1 -0.724 37.1-149.2 -81.2 116.2 61.6 22.5 29.9 96 114 A L + 0 0 79 -2,-0.6 2,-0.2 3,-0.1 5,-0.2 -0.764 34.2 143.6 -94.0 137.9 61.3 21.2 26.3 97 115 A N S S- 0 0 61 3,-1.9 0, 0.0 -2,-0.4 0, 0.0 -0.571 70.0 -68.2-144.8-154.3 64.5 19.9 24.7 98 116 A S S S+ 0 0 88 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.801 133.3 48.5 -81.1 -25.0 65.2 17.0 22.4 99 117 A R S S+ 0 0 99 1,-0.2 2,-0.5 -87,-0.1 -48,-0.2 0.702 117.3 40.4 -85.4 -24.5 64.4 14.4 25.1 100 118 A V S S+ 0 0 0 -50,-0.1 -3,-1.9 -49,-0.1 2,-0.3 -0.978 78.0 146.9-125.6 115.5 61.1 16.0 26.2 101 119 A A - 0 0 28 -88,-1.4 -72,-0.3 -2,-0.5 2,-0.1 -0.986 41.6-114.3-146.1 157.4 58.9 17.3 23.3 102 120 A S - 0 0 55 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.467 24.1-131.5 -91.2 168.7 55.2 17.7 22.5 103 121 A I - 0 0 17 -74,-2.2 2,-0.2 -89,-0.2 83,-0.1 -0.909 25.6-108.5-117.7 146.7 53.3 15.9 19.8 104 122 A S B -c 186 0B 62 81,-0.7 83,-2.7 -2,-0.4 -73,-0.1 -0.439 22.2-125.8 -78.3 146.1 50.9 17.6 17.3 105 123 A L - 0 0 32 81,-0.2 2,-0.1 -2,-0.2 83,-0.1 -0.559 39.3-103.7 -83.4 151.8 47.2 17.3 17.3 106 124 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.445 17.1-157.6 -82.8 151.9 45.8 16.0 14.0 107 125 A T S S+ 0 0 130 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.558 85.4 24.0 -99.4 -14.7 44.1 18.3 11.5 108 127 A S S S- 0 0 77 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.980 89.0-101.0-145.1 158.3 42.3 15.2 9.9 109 128 A c - 0 0 57 -2,-0.3 2,-0.2 101,-0.1 79,-0.1 -0.515 42.7-113.6 -79.2 152.7 41.3 11.7 11.1 110 129 A A - 0 0 28 -2,-0.1 2,-0.2 78,-0.1 -1,-0.1 -0.480 27.3-124.4 -85.8 156.9 43.5 8.8 10.0 111 130 A S > - 0 0 86 -2,-0.2 3,-2.3 1,-0.1 31,-0.3 -0.576 32.9 -84.4-100.0 161.6 42.4 6.1 7.6 112 132 A A T 3 S+ 0 0 60 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.310 117.3 35.6 -57.5 144.9 42.3 2.3 8.0 113 133 A G T 3 S+ 0 0 51 29,-3.3 -1,-0.3 1,-0.4 30,-0.1 0.113 81.2 136.4 93.4 -23.8 45.7 0.8 7.1 114 134 A T < - 0 0 38 -3,-2.3 28,-2.2 27,-0.1 2,-0.4 -0.403 53.8-133.1 -60.0 137.2 47.6 3.8 8.6 115 135 A Q E -D 141 0B 105 26,-0.2 69,-0.4 -3,-0.1 2,-0.3 -0.775 30.9-178.2 -91.2 131.9 50.6 2.4 10.5 116 136 A d E -D 140 0B 6 24,-2.7 24,-2.4 -2,-0.4 2,-0.5 -0.818 25.8-123.6-128.6 168.5 50.9 4.0 14.0 117 137 A L E -DE 139 182B 38 65,-2.5 65,-2.5 -2,-0.3 2,-0.4 -0.972 23.8-172.2-117.0 129.8 53.4 3.7 17.0 118 138 A I E +DE 138 181B 0 20,-2.5 20,-2.0 -2,-0.5 2,-0.3 -0.942 11.2 176.8-119.5 137.8 51.8 2.8 20.4 119 139 A S E +D 137 0B 0 61,-0.9 2,-0.3 -2,-0.4 18,-0.2 -0.959 11.3 124.6-142.6 159.9 54.1 3.0 23.5 120 140 A G E -D 136 0B 2 16,-2.0 16,-2.0 -2,-0.3 56,-0.2 -0.925 58.7-104.4 165.6 172.2 53.9 2.5 27.3 121 141 A W S S+ 0 0 3 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.082 73.7 128.0-107.8 27.6 55.1 0.7 30.4 122 142 A G S S- 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.138 70.3 -51.4 -80.2-178.8 52.0 -1.6 30.6 123 143 A N - 0 0 8 51,-2.6 8,-0.2 8,-0.2 -1,-0.2 -0.170 39.9-162.4 -53.1 140.5 51.9 -5.3 30.9 124 144 A T + 0 0 38 6,-2.2 -121,-0.4 -3,-0.1 2,-0.4 0.411 67.3 76.0-105.4 -2.4 54.0 -7.4 28.3 125 145 A K - 0 0 102 5,-0.4 3,-0.3 3,-0.3 5,-0.1 -0.918 60.0-157.1-114.0 139.6 52.3 -10.8 28.8 126 146 A S S S+ 0 0 53 -2,-0.4 2,-0.5 1,-0.3 71,-0.4 0.763 97.1 38.7 -81.5 -26.9 48.9 -11.7 27.4 127 147 A S S S- 0 0 88 69,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.801 127.9 -2.0-122.4 84.4 48.4 -14.4 30.0 128 148 A G S S- 0 0 43 -2,-0.5 2,-0.5 -3,-0.3 -3,-0.3 -0.609 87.8 -74.9 124.3 175.4 49.9 -13.1 33.3 129 149 A T + 0 0 96 -2,-0.2 2,-0.4 -5,-0.1 -3,-0.1 -0.947 44.2 156.4-117.3 121.3 51.7 -9.8 34.4 130 150 A S - 0 0 62 -2,-0.5 -6,-2.2 -5,-0.1 -5,-0.4 -0.987 23.9-163.9-133.9 122.0 55.4 -8.8 33.6 131 151 A Y - 0 0 112 -2,-0.4 -8,-0.2 -8,-0.2 -9,-0.1 -0.954 15.1-132.7-111.9 131.4 55.7 -5.0 33.8 132 152 A P - 0 0 17 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.272 8.1-143.0 -83.6 170.5 58.8 -3.6 32.1 133 153 A D S S+ 0 0 85 -79,-0.1 -78,-2.5 2,-0.1 -77,-0.2 0.804 85.9 50.3 -95.9 -37.6 61.2 -1.0 33.5 134 154 A V S S- 0 0 34 -80,-0.3 2,-0.2 -79,-0.1 -80,-0.2 -0.573 99.5 -84.1-102.7 165.8 61.8 0.6 30.1 135 155 A L - 0 0 6 -2,-0.2 -128,-2.2 -129,-0.1 -127,-0.4 -0.442 40.8-153.5 -69.3 131.3 59.4 2.0 27.5 136 156 A K E -BD 6 120B 48 -16,-2.0 -16,-2.0 -130,-0.2 2,-0.3 -0.795 7.1-158.4-108.1 151.2 58.0 -0.5 25.0 137 157 A a E -BD 5 119B 3 -132,-2.9 -132,-2.4 -2,-0.3 2,-0.3 -0.881 10.0-174.5-127.0 154.0 56.9 0.2 21.5 138 158 A L E - D 0 118B 6 -20,-2.0 -20,-2.5 -2,-0.3 2,-0.5 -0.974 17.4-146.5-148.9 131.4 54.6 -1.4 19.0 139 159 A K E + D 0 117B 124 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.869 35.0 165.8 -97.9 128.9 53.9 -0.4 15.4 140 160 A A E - D 0 116B 0 -24,-2.4 -24,-2.7 -2,-0.5 2,-0.2 -0.999 30.3-122.8-145.1 145.8 50.2 -1.3 14.6 141 161 A P E - D 0 115B 25 0, 0.0 23,-2.2 0, 0.0 2,-0.4 -0.597 25.7-111.3 -90.1 155.5 47.8 -0.4 11.9 142 162 A I B -F 163 0B 10 -28,-2.2 -29,-3.3 -31,-0.3 21,-0.3 -0.671 39.2-138.9 -79.6 130.6 44.3 1.2 12.2 143 163 A L - 0 0 27 19,-2.5 19,-0.3 -2,-0.4 -29,-0.1 -0.432 23.8 -91.2 -88.7 167.3 41.7 -1.4 11.3 144 164 A S > - 0 0 41 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.394 32.5-118.2 -75.4 156.6 38.6 -0.8 9.2 145 165 A D H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.882 113.1 58.8 -63.5 -35.9 35.5 0.1 11.1 146 166 A S H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 108.7 43.3 -61.2 -45.0 33.7 -3.0 9.7 147 167 A S H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 114.6 51.3 -68.5 -37.6 36.3 -5.4 11.3 148 168 A e H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.957 114.0 41.7 -63.4 -50.0 36.3 -3.4 14.5 149 169 A K H < S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.803 111.9 56.5 -68.1 -29.0 32.5 -3.5 14.9 150 170 A S H < S+ 0 0 93 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.863 110.3 45.4 -71.3 -32.7 32.6 -7.1 13.8 151 171 A A H < S+ 0 0 14 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.872 128.1 24.9 -76.7 -36.4 35.0 -7.8 16.7 152 172 A Y S >< S- 0 0 1 -4,-2.0 3,-2.4 -5,-0.2 4,-0.5 -0.517 85.0-160.3-124.6 62.1 33.1 -5.8 19.4 153 173 A P T 3 S+ 0 0 91 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.165 75.5 2.4 -53.8 132.5 29.5 -5.7 18.2 154 174 A G T 3 S+ 0 0 89 2,-0.1 -5,-0.1 -5,-0.1 -4,-0.1 0.478 115.0 85.4 70.9 7.4 27.5 -2.9 19.8 155 175 A Q < + 0 0 88 -3,-2.4 2,-0.5 -6,-0.2 -1,-0.1 0.481 64.1 87.3-115.5 -0.9 30.5 -1.6 21.8 156 176 A I - 0 0 20 -4,-0.5 2,-0.2 -7,-0.1 -2,-0.1 -0.892 54.0-171.6-102.3 125.0 32.2 0.8 19.3 157 177 A T > - 0 0 39 -2,-0.5 3,-1.3 -77,-0.1 -2,-0.0 -0.455 45.0 -96.5-100.8 177.2 31.0 4.4 19.1 158 178 A S T 3 S+ 0 0 87 1,-0.3 53,-0.1 -2,-0.2 -2,-0.0 0.600 121.7 65.9 -72.9 -4.6 32.1 6.9 16.5 159 179 A N T 3 S+ 0 0 27 48,-0.0 49,-2.5 51,-0.0 2,-0.3 0.123 96.2 69.9-101.8 23.7 34.8 8.2 19.0 160 180 A M E < - G 0 207B 6 -3,-1.3 2,-0.3 47,-0.3 47,-0.2 -0.955 53.7-179.2-135.6 153.2 36.6 4.9 18.9 161 181 A F E - G 0 206B 10 45,-1.8 45,-3.1 -2,-0.3 2,-0.3 -0.953 23.6-127.8-146.5 158.3 38.8 3.0 16.4 162 182 A e E + G 0 205B 0 -2,-0.3 -19,-2.5 -19,-0.3 2,-0.3 -0.823 26.8 175.4-108.0 147.9 40.5 -0.5 16.6 163 183 A A E +FG 142 204B 0 41,-1.7 41,-1.2 -2,-0.3 2,-0.3 -0.976 36.3 60.4-148.0 147.0 44.2 -0.8 15.8 164 184 A G S S- 0 0 3 -23,-2.2 2,-0.4 -2,-0.3 7,-0.1 -0.965 83.1 -47.5 137.0-155.9 46.3 -3.9 16.1 165 184AA Y > - 0 0 49 5,-0.6 3,-1.2 -2,-0.3 37,-0.3 -0.984 25.2-155.9-127.2 122.6 46.5 -7.5 14.8 166 185 A L T 3 S+ 0 0 57 -2,-0.4 35,-2.9 1,-0.3 36,-0.2 0.749 93.9 69.1 -69.8 -22.4 43.5 -9.9 14.6 167 186 A E T 3 S- 0 0 128 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.720 105.0-132.0 -69.5 -19.1 46.0 -12.9 14.6 168 187 A G S < S+ 0 0 11 -3,-1.2 31,-0.2 31,-0.3 -1,-0.2 -0.314 72.2 94.4 94.3 176.6 46.8 -12.0 18.3 169 188 A G S S+ 0 0 39 29,-2.2 2,-0.4 28,-0.1 30,-0.1 0.019 78.8 64.3 91.7 -34.2 50.3 -11.6 19.9 170 188AA K + 0 0 81 -5,-0.2 -5,-0.6 -2,-0.1 2,-0.3 -0.994 65.3 116.0-126.2 128.8 50.9 -7.9 19.6 171 189 A D B -A 2 0A 7 -169,-2.2 -169,-2.7 -2,-0.4 2,-0.2 -0.980 60.4 -97.2-176.0 168.3 48.7 -5.3 21.5 172 190 A S - 0 0 9 -2,-0.3 26,-0.4 -171,-0.2 2,-0.3 -0.471 47.2-178.0 -89.9 174.0 48.6 -2.6 24.1 173 191 A f > - 0 0 12 -2,-0.2 3,-2.3 24,-0.1 4,-0.4 -0.896 37.0 -37.1-157.5-175.2 47.5 -3.7 27.6 174 192 A Q T 3 S+ 0 0 121 -2,-0.3 -51,-2.6 1,-0.3 -1,-0.1 -0.205 125.2 35.4 -51.3 138.0 46.8 -2.6 31.3 175 193 A G T 3 S+ 0 0 10 -151,-0.3 -54,-0.5 -53,-0.3 -1,-0.3 0.075 104.9 75.3 100.9 -26.0 49.3 0.0 32.3 176 194 A D X + 0 0 0 -3,-2.3 3,-2.1 -56,-0.2 15,-0.3 0.650 66.1 124.5 -89.6 -20.6 49.4 1.4 28.7 177 195 A S T 3 S+ 0 0 17 -4,-0.4 -151,-2.8 1,-0.3 15,-0.2 -0.063 72.3 22.9 -40.8 137.2 45.9 3.2 29.2 178 196 A G T 3 S+ 0 0 0 13,-2.6 -1,-0.3 1,-0.3 -150,-0.2 0.149 98.3 124.2 87.1 -17.4 46.0 6.9 28.4 179 197 A G < - 0 0 0 -3,-2.1 12,-2.1 1,-0.1 -1,-0.3 -0.117 61.9 -79.3 -77.7 174.6 49.1 6.6 26.2 180 198 A P E - H 0 190B 0 0, 0.0 -61,-0.9 0, 0.0 2,-0.4 -0.298 20.8-170.2 -80.4 152.3 49.7 7.7 22.6 181 199 A V E -EH 118 189B 0 8,-1.3 7,-2.1 -63,-0.2 8,-2.0 -0.946 26.7-171.9-134.5 103.2 48.8 6.2 19.2 182 200 A V E -EH 117 187B 13 -65,-2.5 -65,-2.5 -2,-0.4 2,-0.4 -0.917 10.7-179.3-109.2 131.8 50.9 8.4 16.8 183 201 A d E > S- H 0 186B 3 3,-2.5 3,-1.6 -2,-0.5 -67,-0.2 -0.998 72.5 -13.3-130.8 125.0 50.4 8.1 13.1 184 202 A S T 3 S- 0 0 113 -69,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.894 128.6 -53.2 52.9 43.8 52.5 10.3 10.7 185 203 A G T 3 S+ 0 0 44 1,-0.2 -81,-0.7 -3,-0.0 2,-0.4 0.638 117.2 108.8 71.8 10.6 53.6 12.6 13.6 186 204 A K E < S-cH 104 183B 72 -3,-1.6 -3,-2.5 -83,-0.1 2,-0.9 -0.965 75.1-119.6-124.7 143.8 50.1 13.3 14.8 187 209 A L E + H 0 182B 0 -83,-2.7 -5,-0.2 -2,-0.4 3,-0.1 -0.643 43.6 159.9 -76.1 104.7 48.4 12.1 17.9 188 210 A Q E + 0 0 15 -7,-2.1 21,-1.4 -2,-0.9 22,-0.5 0.696 56.7 23.0-101.6 -24.0 45.4 10.0 16.5 189 211 A G E -IH 208 181B 0 -8,-2.0 -8,-1.3 19,-0.2 2,-0.4 -0.956 52.1-147.1-145.5 165.8 44.5 7.8 19.5 190 212 A I E -IH 207 180B 1 17,-0.8 17,-2.3 -2,-0.3 2,-0.3 -0.990 42.0-107.2-126.4 132.5 44.7 7.3 23.2 191 213 A V E +I 206 0B 5 -12,-2.1 -13,-2.6 -2,-0.4 15,-0.2 -0.472 54.8 156.4 -61.0 119.1 45.0 3.7 24.6 192 214 A S E - 0 0 5 13,-1.5 2,-0.3 -2,-0.3 14,-0.2 0.761 45.6 -42.5-116.6 -68.9 41.4 3.0 26.0 193 215 A W E +I 205 0B 56 12,-1.8 12,-2.9 -112,-0.0 -1,-0.3 -0.897 42.1 169.7-154.9-175.6 40.3 -0.7 26.3 194 216 A G - 0 0 28 -2,-0.3 2,-0.7 10,-0.2 10,-0.1 -0.926 48.3 -83.7 177.1 176.7 40.2 -4.2 24.7 195 217 A S S S- 0 0 48 8,-0.3 4,-0.4 -2,-0.3 7,-0.1 -0.922 93.4 -39.0-104.8 110.3 39.3 -7.8 25.8 196 219 A G S S- 0 0 54 -2,-0.7 2,-0.4 2,-0.1 -69,-0.1 -0.290 93.8 -74.0 66.1-158.6 42.3 -9.3 27.5 197 220 A f S S- 0 0 17 -71,-0.4 -28,-0.1 1,-0.1 -24,-0.1 -0.999 102.3 -5.2-137.3 137.1 45.5 -8.4 25.8 198 221 A A S S+ 0 0 8 -2,-0.4 -29,-2.2 -26,-0.4 2,-0.3 0.751 84.3 154.1 50.9 37.7 46.8 -9.7 22.4 199 221AA Q > - 0 0 80 3,-0.5 3,-1.8 -4,-0.4 -31,-0.3 -0.631 53.8 -90.5 -91.1 148.7 44.0 -12.3 22.0 200 222 A K T 3 S+ 0 0 137 1,-0.3 -33,-0.2 -2,-0.3 -34,-0.1 -0.312 107.8 3.1 -60.8 141.8 43.0 -13.4 18.5 201 223 A N T 3 S+ 0 0 72 -35,-2.9 -1,-0.3 1,-0.1 -35,-0.1 0.586 107.0 100.7 56.1 19.7 40.3 -11.3 16.9 202 224 A K < - 0 0 72 -3,-1.8 -3,-0.5 -37,-0.3 -7,-0.2 -0.693 55.2-177.1-128.7 75.6 40.1 -8.9 19.9 203 225 A P - 0 0 4 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.161 34.6 -88.9 -71.2 168.5 42.1 -5.8 18.8 204 226 A G E -G 163 0B 1 -41,-1.2 -41,-1.7 -10,-0.1 2,-0.4 -0.480 37.0-139.6 -77.2 151.2 42.8 -2.8 21.0 205 227 A V E -GI 162 193B 1 -12,-2.9 -12,-1.8 -43,-0.2 -13,-1.5 -0.944 20.5-166.8-116.0 133.6 40.2 0.0 21.0 206 228 A Y E -GI 161 191B 1 -45,-3.1 -45,-1.8 -2,-0.4 2,-0.3 -0.903 27.3-107.5-123.9 149.8 41.4 3.6 21.1 207 229 A T E -GI 160 190B 2 -17,-2.3 2,-1.3 -2,-0.3 -17,-0.8 -0.579 36.9-125.7 -76.3 132.6 39.8 7.0 21.7 208 230 A K E > - I 0 189B 49 -49,-2.5 3,-1.6 -2,-0.3 4,-0.2 -0.646 26.0-172.6 -86.1 91.3 39.6 8.8 18.3 209 231 A V G > S+ 0 0 0 -21,-1.4 3,-2.2 -2,-1.3 4,-0.5 0.762 74.8 72.3 -56.2 -35.0 41.4 12.1 19.0 210 232 A c G > S+ 0 0 23 -22,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.801 93.6 59.3 -58.0 -23.2 40.5 13.8 15.7 211 233 A N G < S+ 0 0 66 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.670 108.9 43.2 -78.7 -13.6 36.9 14.1 17.0 212 234 A Y G <> S+ 0 0 8 -3,-2.2 4,-2.7 -4,-0.2 5,-0.2 0.321 73.9 107.9-113.9 8.5 38.1 16.2 20.1 213 235 A V H <> S+ 0 0 19 -3,-0.5 4,-2.6 -4,-0.5 5,-0.2 0.893 86.1 44.2 -58.9 -40.4 40.6 18.7 18.7 214 236 A S H > S+ 0 0 79 -4,-0.2 4,-2.8 2,-0.2 5,-0.3 0.894 113.1 52.4 -69.8 -36.6 38.2 21.8 19.1 215 237 A W H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.940 112.4 45.9 -63.0 -46.3 37.2 20.5 22.6 216 238 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.961 114.9 47.3 -60.5 -51.4 40.9 20.3 23.5 217 239 A K H X S+ 0 0 124 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.904 115.5 43.7 -57.6 -46.0 41.6 23.8 22.0 218 240 A Q H X S+ 0 0 131 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.907 114.1 50.0 -69.3 -41.8 38.7 25.5 23.6 219 241 A T H >< S+ 0 0 16 -4,-2.8 3,-0.9 -5,-0.3 4,-0.5 0.940 113.5 45.0 -63.6 -45.7 39.2 23.8 27.0 220 242 A I H >< S+ 0 0 36 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.913 108.9 58.3 -64.0 -40.3 43.0 24.8 27.1 221 243 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.739 111.4 41.3 -64.2 -19.8 42.2 28.3 25.9 222 244 A S T << 0 0 88 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.365 360.0 360.0-107.6 6.3 39.9 28.8 29.0 223 245 A N < 0 0 87 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.079 360.0 360.0-129.6 360.0 42.0 27.1 31.7