==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-04 1Y3Y . COMPND 2 MOLECULE: TRYPSIN, CATIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.FOKKENS,G.KLEBE . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 70 31.4 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 . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 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 . 3 2 1 6 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 124.2 51.8 14.4 49.1 2 17 A V B +A 171 0A 9 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.847 360.0 6.0 -97.5 130.9 54.0 14.3 52.2 3 18 A G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.613 102.1 119.4 78.3 18.3 55.7 11.0 53.2 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.117 55.8-116.3 -99.2-166.6 54.6 9.1 50.1 5 20 A Y E -B 137 0B 99 132,-2.2 132,-2.8 -3,-0.1 2,-0.5 -0.901 35.0 -84.9-131.7 162.4 56.4 7.4 47.2 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.510 36.6-150.7 -65.5 117.8 56.7 7.7 43.5 7 22 A a - 0 0 19 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.911 36.2-112.4 -57.5 -45.0 53.7 5.9 42.1 8 23 A G > - 0 0 27 127,-0.5 3,-1.7 -3,-0.0 4,-0.3 -0.098 48.9 -57.5 110.2 142.8 55.4 4.9 38.8 9 24 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.312 117.5 -11.7 -60.7 129.7 54.3 6.3 35.4 10 25 A N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.701 90.7 125.9 54.2 30.4 50.7 5.7 34.6 11 26 A T S < S+ 0 0 83 -3,-1.7 -1,-0.1 1,-0.2 -2,-0.1 0.508 77.9 48.5 -84.4 -7.5 50.1 3.3 37.5 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.6 87,-0.1 -1,-0.2 -0.729 74.4 170.4-127.9 74.9 47.2 5.6 38.5 13 28 A P T 3 + 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.584 69.7 59.2 -74.6 -10.6 45.5 5.9 35.2 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.446 82.5 112.2 -89.8 -4.1 42.4 7.7 36.4 15 30 A Q E < -J 28 0C 4 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.549 47.0-175.2 -72.7 126.4 44.5 10.5 37.7 16 31 A V E -JK 27 50C 2 11,-2.5 11,-1.0 -2,-0.3 2,-0.4 -0.865 19.2-142.8-119.5 162.3 44.2 13.8 36.0 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.5 -0.973 14.3-142.8-115.7 131.3 45.9 17.2 36.3 18 33 A L E -JK 25 48C 0 7,-3.5 6,-2.6 -2,-0.4 7,-1.0 -0.878 24.2-168.7 -97.8 131.5 43.9 20.4 35.9 19 34 A N E +JK 23 47C 20 28,-2.7 28,-2.4 -2,-0.5 4,-0.2 -0.961 30.7 168.4-128.7 126.3 46.0 22.9 34.1 20 37 A S S S- 0 0 30 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.210 97.0 -47.1-125.2 45.5 45.4 26.7 33.5 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.113 140.4 29.5 107.5 -13.4 48.9 27.4 32.2 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.927 103.0 -82.1-163.8 155.4 50.3 25.4 35.1 23 40 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.521 53.1 156.0 -66.4 134.8 49.1 22.4 37.2 24 41 A F E + 0 0 34 -6,-2.6 2,-0.3 1,-0.5 151,-0.2 0.585 56.8 12.3-135.6 -13.6 46.8 23.6 40.0 25 42 A b E -J 18 0C 6 -7,-1.0 -7,-3.5 151,-0.1 -1,-0.5 -0.965 61.4-126.7-157.8 154.4 44.5 20.7 41.0 26 43 A G E +J 17 0C 1 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.306 28.6 174.3 -87.0 179.5 44.1 17.0 40.7 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.5 -2,-0.1 2,-0.4 -0.952 25.0-116.9-174.7 172.0 40.9 15.2 39.5 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.9 -2,-0.3 2,-0.5 -0.995 18.3-130.5-129.4 133.3 39.6 11.8 38.6 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.707 26.1 174.5 -80.4 123.6 38.3 10.5 35.3 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 75,-0.2 0.654 67.6 -11.6-108.9 -16.5 35.0 8.8 35.8 31 48 A N E > S- L 0 34C 46 3,-1.1 3,-0.9 70,-0.1 -1,-0.3 -0.931 88.6 -77.4-161.4-177.8 34.1 8.0 32.2 32 49 A S T 3 S+ 0 0 37 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.746 128.2 31.6 -64.6 -13.9 35.3 9.1 28.8 33 50 A Q T 3 S+ 0 0 94 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.466 109.4 66.9-118.7 -3.6 33.7 12.5 29.0 34 51 A W E < -LM 31 89C 1 -3,-0.9 -4,-2.6 55,-0.2 -3,-1.1 -0.964 47.6-170.4-135.1 139.2 33.6 13.5 32.7 35 52 A V E -LM 29 88C 0 53,-2.8 53,-2.9 -2,-0.4 2,-0.4 -0.947 12.8-149.5-120.9 139.2 36.1 14.4 35.4 36 53 A V E +LM 28 87C 1 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.2 -0.901 30.9 144.4-109.5 140.6 35.4 14.8 39.1 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.791 50.9 -62.9-147.8-167.5 37.3 17.2 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.712 32.8-133.3 -88.9 140.1 36.9 19.6 44.2 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.843 107.2 65.1 -57.6 -35.2 34.6 22.7 44.0 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.630 92.7 64.2 -68.6 -8.0 37.4 24.8 45.5 41 58 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.461 77.6 135.9 -88.9 -2.3 39.4 24.0 42.3 42 59 A Y < + 0 0 135 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.1 -0.228 19.4 133.6 -52.0 130.6 36.8 25.9 40.3 43 60 A K - 0 0 63 3,-0.0 3,-0.4 0, 0.0 2,-0.2 -0.954 49.9-104.3-166.7 164.2 38.1 28.2 37.6 44 61 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.511 93.8 35.3 -86.5 158.2 37.5 29.1 34.0 45 62 A G S S+ 0 0 71 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.869 76.4 170.7 74.5 37.4 39.8 28.1 31.1 46 63 A I - 0 0 8 -3,-0.4 21,-2.2 -26,-0.1 2,-0.5 -0.637 20.5-162.4 -85.7 135.2 40.7 24.7 32.4 47 64 A Q E -KN 19 66C 49 -28,-2.4 -28,-2.7 -2,-0.3 2,-0.5 -0.972 14.6-141.4-111.4 132.6 42.5 22.1 30.3 48 65 A V E -KN 18 65C 0 17,-3.4 17,-3.2 -2,-0.5 2,-0.6 -0.819 11.7-158.5 -96.1 131.3 42.4 18.6 31.5 49 66 A R E -KN 17 64C 51 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.950 12.1-174.8-119.6 114.2 45.6 16.6 31.2 50 67 A L E +KN 16 63C 2 13,-2.6 13,-1.9 -2,-0.6 -34,-0.1 -0.689 60.8 29.3-102.1 154.3 45.3 12.8 31.1 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.2 -38,-0.3 10,-0.2 0.683 84.0 157.2 70.2 23.2 48.0 10.1 31.1 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.594 22.7 151.1 -80.7 142.0 50.4 12.3 32.9 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.406 80.0 30.6-119.8 -72.8 53.4 11.2 34.9 54 72 A N S > S- 0 0 31 80,-0.2 3,-1.2 3,-0.2 -1,-0.4 -0.738 71.7-160.9 -84.9 117.9 56.0 14.0 34.7 55 73 A I T 3 S+ 0 0 28 78,-2.7 -1,-0.1 -2,-0.7 79,-0.1 0.523 87.1 51.0 -83.7 1.6 53.9 17.1 34.3 56 74 A N T 3 S+ 0 0 115 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.301 105.8 60.3-112.0 2.3 56.8 19.2 32.9 57 75 A V S < S- 0 0 69 -3,-1.2 2,-0.8 76,-0.2 -4,-0.3 -0.995 76.5-131.7-136.6 128.8 57.9 16.7 30.2 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.731 31.7 171.3 -80.1 116.3 55.9 15.4 27.3 59 77 A E - 0 0 104 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.640 51.2-100.6-107.6 -16.2 56.5 11.6 27.5 60 78 A G S S+ 0 0 57 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.192 103.0 78.7 118.5 -14.7 54.1 10.3 24.9 61 79 A N + 0 0 54 -10,-0.2 2,-0.2 38,-0.0 -3,-0.0 0.316 66.5 120.0-104.8 14.2 51.0 9.0 26.7 62 80 A E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.502 40.8-168.2 -81.7 150.2 49.3 12.4 27.3 63 81 A Q E -N 50 0C 40 -13,-1.9 -13,-2.6 -2,-0.2 2,-0.5 -0.992 8.7-161.4-125.5 124.9 45.9 13.6 26.1 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.938 17.2 172.2-108.8 121.3 45.2 17.3 26.6 65 83 A I E -N 48 0C 16 -17,-3.2 -17,-3.4 -2,-0.5 2,-0.1 -0.985 26.8-131.3-139.3 127.8 41.6 18.2 26.5 66 84 A S E -N 47 0C 55 -2,-0.4 25,-2.8 -19,-0.2 26,-0.3 -0.402 29.3-112.1 -73.1 153.1 39.8 21.5 27.2 67 85 A A E -O 90 0C 20 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.614 22.5-169.1 -84.5 140.0 36.8 21.5 29.4 68 86 A S E S+ 0 0 59 21,-3.7 2,-0.3 1,-0.4 22,-0.2 0.771 72.3 6.0 -92.8 -31.7 33.5 22.3 27.8 69 87 A K E -O 89 0C 95 20,-1.2 20,-3.2 2,-0.0 2,-0.4 -0.989 57.8-158.7-155.6 140.1 31.4 22.8 31.0 70 88 A S E -O 88 0C 44 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.990 7.0-167.0-128.0 139.5 32.1 22.8 34.8 71 89 A I E -O 87 0C 36 16,-2.8 16,-2.5 -2,-0.4 2,-0.2 -0.950 4.7-160.2-132.2 107.4 29.4 22.2 37.4 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.641 43.0 -86.8 -80.9 146.3 30.0 23.0 41.0 73 91 A H > - 0 0 20 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.200 36.3-124.9 -53.1 137.1 27.8 21.3 43.5 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.767 109.2 39.9 -58.9 -26.1 24.6 23.4 44.0 75 93 A S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.0 7,-0.1 0.194 79.3 144.7-108.4 15.8 25.1 23.5 47.8 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.340 33.1-160.2 -53.5 129.7 28.9 24.1 47.8 77 95 A N B >> -P 82 0D 63 5,-2.4 4,-2.3 1,-0.1 5,-0.6 -0.940 8.2-164.0-120.2 107.2 29.8 26.4 50.7 78 96 A S T 45S+ 0 0 75 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.625 85.9 56.9 -65.9 -18.0 33.3 28.0 50.3 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.901 123.4 19.9 -81.3 -38.6 33.5 29.0 53.9 80 98 A T T 45S- 0 0 71 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.516 97.6-127.9-105.0 -16.0 33.1 25.6 55.5 81 99 A L T ><5 + 0 0 30 -4,-2.3 3,-0.8 1,-0.3 2,-0.2 0.609 50.9 158.4 67.1 22.8 34.0 23.5 52.4 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-2.4 1,-0.3 -1,-0.3 -0.553 66.7 17.4 -67.5 132.0 30.8 21.4 52.7 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-1.8 -2,-0.2 -10,-0.3 0.875 79.1 177.5 66.2 45.8 29.9 19.8 49.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.556 36.1 109.8 -82.3 76.2 33.4 20.3 48.0 85 103 A I + 0 0 0 -2,-1.8 -12,-2.3 -47,-0.3 2,-0.3 -0.993 38.1 177.4-154.5 144.8 32.9 18.6 44.7 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.989 19.8-136.9-148.6 149.7 32.6 19.6 41.1 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.5 -0.894 14.4-162.7-108.9 139.0 32.1 17.9 37.7 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.8 -2,-0.4 2,-0.5 -0.991 7.5-149.7-124.0 125.2 34.0 18.9 34.6 89 107 A K E -MO 34 69C 48 -20,-3.2 -21,-3.7 -2,-0.5 -20,-1.2 -0.837 16.1-130.5 -96.9 133.4 32.9 17.9 31.1 90 108 A L E - O 0 67C 5 -57,-2.4 -23,-0.2 -2,-0.5 -24,-0.1 -0.572 10.8-132.2 -79.8 137.0 35.5 17.3 28.4 91 109 A K S S+ 0 0 139 -25,-2.8 2,-0.3 -2,-0.3 -1,-0.1 0.844 95.2 16.6 -57.6 -36.8 35.1 19.0 25.0 92 110 A S S S- 0 0 75 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.0 -0.971 97.5 -91.3-137.5 151.3 35.8 15.7 23.3 93 111 A A - 0 0 61 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.284 40.8-120.5 -62.6 138.5 35.9 12.1 24.7 94 112 A A - 0 0 7 -62,-2.8 2,-0.8 -63,-0.1 -1,-0.1 -0.447 22.3-117.9 -74.9 151.5 39.1 10.8 26.0 95 113 A S - 0 0 75 -2,-0.1 2,-0.3 6,-0.0 5,-0.1 -0.798 29.8-143.4 -96.2 115.0 40.6 7.7 24.4 96 114 A L + 0 0 76 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.626 37.3 139.0 -83.6 140.7 40.7 5.1 27.0 97 115 A N - 0 0 62 3,-2.4 3,-0.3 -2,-0.3 -1,-0.0 -0.778 69.8 -65.4-159.5-166.3 43.7 2.7 27.0 98 116 A S S S+ 0 0 90 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.823 134.1 42.0 -67.3 -24.1 46.1 1.1 29.5 99 117 A R S S+ 0 0 100 1,-0.2 2,-0.4 -87,-0.1 -48,-0.2 0.591 115.7 49.1 -98.3 -18.1 47.4 4.5 30.6 100 118 A V S S+ 0 0 1 -3,-0.3 -3,-2.4 -50,-0.1 2,-0.3 -0.971 72.9 154.9-129.1 111.2 44.2 6.4 30.7 101 119 A A - 0 0 30 -88,-1.6 -72,-0.3 -2,-0.4 2,-0.2 -0.963 37.4-122.4-142.8 146.2 41.4 4.7 32.6 102 120 A S - 0 0 57 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.521 24.4-132.7 -88.7 158.8 38.2 5.7 34.4 103 121 A I - 0 0 15 -74,-2.5 2,-0.1 -2,-0.2 83,-0.1 -0.902 24.1-110.3-113.0 145.5 37.6 4.9 38.1 104 122 A S B -c 186 0B 42 81,-0.7 83,-3.1 -2,-0.4 -73,-0.1 -0.424 23.3-122.3 -77.3 143.0 34.4 3.4 39.4 105 123 A L - 0 0 35 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.559 39.9-100.6 -76.2 148.8 31.9 5.3 41.6 106 124 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.274 18.5-157.3 -69.6 153.9 31.2 3.6 45.0 107 125 A T S S+ 0 0 130 1,-0.3 2,-0.3 2,-0.0 -2,-0.0 0.546 83.3 6.5-101.1 -13.7 28.1 1.5 45.6 108 127 A S S S- 0 0 75 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.957 90.4 -87.3-156.2 164.8 28.4 2.0 49.3 109 128 A c - 0 0 64 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.387 43.6-111.7 -77.2 157.1 30.5 4.0 51.7 110 129 A A - 0 0 30 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.643 27.9-121.1 -91.8 149.0 33.9 2.8 53.1 111 130 A S > - 0 0 79 -2,-0.2 3,-2.2 1,-0.1 31,-0.3 -0.583 33.6 -90.7 -88.3 151.0 34.5 1.8 56.7 112 132 A A T 3 S+ 0 0 58 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.249 115.3 35.0 -48.8 139.4 37.0 3.3 59.1 113 133 A G T 3 S+ 0 0 54 29,-2.9 -1,-0.3 1,-0.4 2,-0.2 0.166 83.8 136.6 91.3 -13.7 40.3 1.3 58.9 114 134 A T < - 0 0 28 -3,-2.2 28,-2.2 28,-0.1 -1,-0.4 -0.457 57.1-122.6 -65.3 133.3 39.8 0.7 55.2 115 135 A Q E -D 141 0B 105 26,-0.2 69,-0.5 -2,-0.2 2,-0.3 -0.608 34.9-174.9 -82.3 132.3 43.1 1.2 53.3 116 136 A d E -D 140 0B 4 24,-2.6 24,-2.9 -2,-0.3 2,-0.5 -0.895 24.4-128.2-129.1 160.4 43.0 3.8 50.5 117 137 A L E -DE 139 182B 40 65,-2.5 65,-2.7 -2,-0.3 2,-0.4 -0.956 23.5-175.5-109.7 120.5 45.3 5.2 47.8 118 138 A I E +DE 138 181B 1 20,-2.5 20,-2.3 -2,-0.5 2,-0.3 -0.934 10.6 177.8-114.1 135.8 45.8 9.0 47.6 119 139 A S E +D 137 0B 0 61,-1.1 2,-0.3 -2,-0.4 18,-0.2 -0.976 11.1 118.6-143.2 155.7 47.8 10.5 44.8 120 140 A G E -D 136 0B 2 16,-2.4 16,-2.0 -2,-0.3 56,-0.2 -0.959 58.5 -99.3 166.5 174.8 48.9 13.8 43.4 121 141 A W S S+ 0 0 2 54,-0.6 55,-0.2 -2,-0.3 3,-0.1 0.066 71.0 129.1-105.3 25.1 51.5 16.3 42.4 122 142 A G - 0 0 0 1,-0.2 53,-0.3 9,-0.1 52,-0.1 -0.112 69.0 -56.7 -79.8 178.6 51.3 18.5 45.5 123 143 A N - 0 0 12 51,-2.9 8,-0.2 8,-0.2 -1,-0.2 -0.125 41.2-157.0 -55.7 142.5 54.0 19.7 47.9 124 144 A T + 0 0 38 6,-2.6 -121,-0.5 -3,-0.1 2,-0.4 0.340 65.9 73.8-109.1 5.7 56.1 17.0 49.4 125 145 A K - 0 0 109 5,-0.2 5,-0.2 3,-0.2 -123,-0.1 -0.930 57.9-156.7-118.4 145.3 57.3 18.7 52.6 126 146 A S S S+ 0 0 56 -2,-0.4 71,-0.2 72,-0.1 -1,-0.1 0.903 99.1 27.6 -81.5 -34.7 55.4 19.6 55.7 127 147 A S S S+ 0 0 102 69,-0.1 -2,-0.1 2,-0.0 69,-0.0 0.956 124.7 33.2 -81.7 -69.3 57.8 22.4 56.7 128 148 A G S S- 0 0 35 -4,-0.1 2,-0.5 1,-0.1 -3,-0.2 0.203 84.2 -99.6 -75.0-165.8 59.3 23.6 53.4 129 149 A T + 0 0 112 -5,-0.1 2,-0.3 -6,-0.1 -3,-0.1 -0.984 47.8 149.3-118.6 116.1 58.1 24.0 49.9 130 150 A S - 0 0 48 -2,-0.5 -6,-2.6 -5,-0.2 -5,-0.2 -0.849 23.6-162.6-149.9 116.7 59.0 21.3 47.3 131 151 A Y - 0 0 104 -2,-0.3 -8,-0.2 -8,-0.2 2,-0.1 -0.821 12.0-144.6-100.3 128.9 56.9 20.4 44.4 132 152 A P - 0 0 18 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 -0.403 6.4-151.6 -83.3 158.3 57.5 17.1 42.6 133 153 A D S S+ 0 0 64 -2,-0.1 -78,-2.7 -79,-0.1 2,-0.2 0.720 78.5 65.7-107.6 -12.7 57.1 16.8 38.9 134 154 A V S S- 0 0 38 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.664 99.2 -88.4 -99.8 158.9 56.2 13.1 38.9 135 155 A L - 0 0 3 -2,-0.2 -128,-1.9 -82,-0.1 -127,-0.5 -0.434 41.2-155.0 -71.3 134.6 53.0 11.6 40.5 136 156 A K E -BD 6 120B 42 -16,-2.0 -16,-2.4 -130,-0.2 2,-0.3 -0.800 5.9-158.0-109.8 153.7 53.3 10.7 44.2 137 157 A a E -BD 5 119B 2 -132,-2.8 -132,-2.2 -2,-0.3 2,-0.3 -0.911 7.9-171.3-132.1 149.7 51.2 8.1 46.0 138 158 A L E - D 0 118B 6 -20,-2.3 -20,-2.5 -2,-0.3 2,-0.5 -0.964 15.5-146.8-144.9 126.3 50.3 7.5 49.6 139 159 A K E + D 0 117B 117 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.818 35.3 160.5 -89.6 131.8 48.5 4.6 51.2 140 160 A A E - D 0 116B 0 -24,-2.9 -24,-2.6 -2,-0.5 2,-0.3 -1.000 32.5-123.4-150.4 144.9 46.4 5.8 54.1 141 161 A P E - D 0 115B 24 0, 0.0 23,-2.1 0, 0.0 2,-0.3 -0.638 28.1-108.5 -93.6 153.5 43.5 4.5 56.1 142 162 A I B -F 163 0B 13 -28,-2.2 -29,-2.9 -31,-0.3 21,-0.3 -0.585 39.8-136.6 -70.7 132.6 40.1 6.1 56.7 143 163 A L - 0 0 25 19,-2.8 19,-0.4 -2,-0.3 -1,-0.1 -0.534 24.6 -90.2 -88.3 158.6 40.0 7.3 60.3 144 164 A S > - 0 0 44 -2,-0.2 4,-2.0 1,-0.1 3,-0.4 -0.363 34.9-119.6 -63.3 146.7 37.1 7.0 62.6 145 165 A D H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.852 112.7 57.0 -60.3 -33.3 34.6 9.8 62.5 146 166 A S H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 105.8 48.3 -69.4 -35.4 35.3 10.6 66.2 147 167 A S H > S+ 0 0 39 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.891 114.0 49.7 -63.5 -37.4 39.0 11.0 65.7 148 168 A e H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.944 112.0 44.8 -65.3 -46.7 38.1 13.3 62.8 149 169 A K H < S+ 0 0 114 -4,-2.7 6,-0.2 1,-0.2 -1,-0.2 0.803 110.3 56.2 -71.5 -29.7 35.7 15.4 64.8 150 170 A S H < S+ 0 0 93 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.857 107.1 48.6 -67.1 -39.1 38.1 15.7 67.7 151 171 A A H < S+ 0 0 15 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.846 126.6 26.9 -66.4 -36.3 40.8 17.1 65.5 152 172 A Y S >X S- 0 0 5 -4,-1.4 3,-2.3 -5,-0.1 4,-0.7 -0.634 83.4-158.8-131.3 68.4 38.4 19.7 64.0 153 173 A P T 34 S+ 0 0 97 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.256 76.2 0.8 -60.6 131.4 35.6 20.5 66.4 154 174 A G T 34 S+ 0 0 91 -5,-0.1 -4,-0.1 2,-0.1 -5,-0.1 0.538 115.6 86.6 75.8 5.0 32.5 21.9 64.8 155 175 A Q T <4 + 0 0 101 -3,-2.3 2,-0.5 -6,-0.2 -1,-0.1 0.565 62.7 86.2-112.9 -14.2 34.0 21.7 61.3 156 176 A I < - 0 0 22 -4,-0.7 2,-0.2 -7,-0.1 -2,-0.1 -0.801 52.8-172.5 -98.1 134.7 33.2 18.2 60.1 157 177 A T > - 0 0 41 -2,-0.5 3,-1.5 4,-0.0 -2,-0.0 -0.561 44.2 -96.0-107.3 174.3 29.9 17.4 58.3 158 178 A S T 3 S+ 0 0 86 1,-0.3 53,-0.1 -2,-0.2 -2,-0.0 0.619 121.3 65.2 -67.4 -11.9 28.5 14.1 57.2 159 179 A N T 3 S+ 0 0 27 48,-0.1 49,-2.2 51,-0.0 2,-0.3 0.215 96.5 68.5 -94.6 13.2 29.9 14.8 53.8 160 180 A M E < - G 0 207B 4 -3,-1.5 2,-0.3 47,-0.2 47,-0.2 -0.955 54.5-176.8-131.2 152.0 33.5 14.7 55.0 161 181 A F E - G 0 206B 7 45,-2.2 45,-3.2 -2,-0.3 2,-0.4 -0.981 20.6-128.4-141.4 160.5 35.8 12.0 56.3 162 182 A e E + G 0 205B 0 -19,-0.4 -19,-2.8 -2,-0.3 2,-0.3 -0.846 24.8 178.2-107.9 145.6 39.4 12.1 57.6 163 183 A A E +FG 142 204B 0 41,-2.0 41,-1.2 -2,-0.4 2,-0.4 -0.997 35.2 48.0-147.4 150.2 42.2 9.9 56.4 164 184 A G S S- 0 0 3 -23,-2.1 2,-0.4 -2,-0.3 7,-0.1 -0.987 85.4 -39.0 133.9-139.5 45.8 9.6 57.2 165 184AA Y > - 0 0 73 5,-0.6 3,-1.6 -2,-0.4 37,-0.3 -0.990 27.5-151.7-141.1 123.2 47.8 9.3 60.4 166 185 A L T 3 S+ 0 0 59 -2,-0.4 35,-3.1 1,-0.3 36,-0.2 0.778 97.6 65.1 -71.0 -19.9 47.3 11.1 63.7 167 186 A E T 3 S- 0 0 82 1,-0.2 -1,-0.3 33,-0.2 33,-0.2 0.595 104.9-134.7 -75.3 -9.7 51.0 10.8 64.4 168 187 A G < + 0 0 11 -3,-1.6 -1,-0.2 31,-0.3 31,-0.2 -0.377 69.4 104.4 86.4-173.1 51.7 13.0 61.4 169 188 A G S S+ 0 0 42 29,-2.5 2,-0.4 28,-0.1 30,-0.1 0.018 77.2 61.9 89.8 -25.2 54.3 12.5 58.7 170 188AA K + 0 0 95 -5,-0.2 -5,-0.6 29,-0.1 2,-0.3 -0.993 65.0 116.2-139.2 123.3 52.1 11.3 55.9 171 189 A D B -A 2 0A 5 -169,-2.0 -169,-3.1 -2,-0.4 -167,-0.1 -0.983 60.5 -91.3-170.3 165.4 49.4 13.4 54.3 172 190 A S + 0 0 9 -2,-0.3 26,-0.3 -171,-0.2 2,-0.3 -0.356 50.0 175.8 -79.8 177.0 48.1 15.1 51.2 173 191 A f > - 0 0 14 -2,-0.1 3,-2.3 24,-0.1 4,-0.4 -0.898 37.0 -23.9-163.6-171.9 49.1 18.8 50.8 174 192 A Q T 3 S+ 0 0 130 -2,-0.3 -51,-2.9 1,-0.3 -149,-0.1 -0.265 124.6 25.0 -56.5 127.0 49.0 21.9 48.6 175 193 A G T 3 S+ 0 0 11 -53,-0.3 -54,-0.6 -151,-0.2 -1,-0.3 0.213 102.4 85.0 101.8 -13.6 48.6 21.0 44.9 176 194 A D X + 0 0 1 -3,-2.3 3,-1.9 -56,-0.2 15,-0.3 0.585 59.8 128.3 -89.2 -13.3 46.9 17.6 45.7 177 195 A S T 3 S+ 0 0 20 -4,-0.4 -151,-2.7 1,-0.2 15,-0.2 -0.131 71.2 19.3 -44.1 133.9 43.5 19.3 46.0 178 196 A G T 3 S+ 0 0 0 13,-2.8 -1,-0.2 1,-0.3 -150,-0.1 0.242 96.3 128.3 90.4 -10.2 40.7 17.7 44.0 179 197 A G < - 0 0 0 -3,-1.9 12,-2.2 1,-0.1 -1,-0.3 -0.161 59.5 -82.8 -79.3 172.9 42.6 14.4 43.5 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.1 0, 0.0 2,-0.4 -0.401 20.3-164.8 -85.0 153.8 41.4 10.9 44.2 181 199 A V E -EH 118 189B 0 8,-1.6 7,-2.2 -63,-0.2 8,-2.0 -0.970 23.2-170.1-127.2 108.6 41.1 8.7 47.3 182 200 A V E +EH 117 187B 15 -65,-2.7 -65,-2.5 -2,-0.4 2,-0.4 -0.911 10.2 174.5-114.6 123.0 40.6 5.2 46.0 183 201 A d E > S- H 0 186B 2 3,-2.2 3,-1.4 -2,-0.5 -67,-0.2 -0.985 70.4 -9.3-132.5 125.5 39.6 2.4 48.3 184 202 A S T 3 S- 0 0 107 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.896 128.2 -55.1 54.0 44.7 38.8 -1.1 47.2 185 203 A G T 3 S+ 0 0 45 1,-0.2 -81,-0.7 -3,-0.1 2,-0.4 0.467 117.7 101.2 72.8 9.4 38.7 -0.1 43.5 186 204 A K E < S-cH 104 183B 69 -3,-1.4 -3,-2.2 -83,-0.1 2,-0.9 -0.949 78.8-112.1-126.5 146.9 36.2 2.7 44.0 187 209 A L E + H 0 182B 0 -83,-3.1 -5,-0.2 -2,-0.4 3,-0.1 -0.596 46.4 157.6 -75.2 108.2 36.5 6.5 44.3 188 210 A Q E + 0 0 11 -7,-2.2 21,-1.7 -2,-0.9 22,-0.5 0.668 55.3 29.6-103.3 -21.0 35.5 7.2 47.9 189 211 A G E -IH 208 181B 0 -8,-2.0 -8,-1.6 19,-0.2 2,-0.4 -0.957 52.2-150.2-142.8 158.1 37.2 10.6 48.5 190 212 A I E -IH 207 180B 0 17,-1.1 17,-2.2 -2,-0.3 2,-0.3 -0.999 39.3-109.0-124.2 129.8 38.3 13.9 47.0 191 213 A V E +I 206 0B 6 -12,-2.2 -13,-2.8 -2,-0.4 15,-0.2 -0.436 56.8 152.8 -55.7 114.6 41.3 15.7 48.5 192 214 A S E - 0 0 6 13,-1.7 2,-0.3 1,-0.3 14,-0.2 0.762 45.9 -32.7-116.7 -67.9 39.6 18.7 50.1 193 215 A W E +I 205 0B 47 12,-1.8 12,-2.9 -112,-0.0 -1,-0.3 -0.899 45.0 162.1-151.6 179.3 41.3 20.4 53.1 194 216 A G - 0 0 32 -2,-0.3 2,-0.5 10,-0.2 10,-0.1 -0.957 44.5 -91.9-176.2-168.9 43.4 20.1 56.2 195 217 A S S S- 0 0 58 7,-0.4 4,-0.4 -2,-0.3 -2,-0.0 -0.953 88.1 -37.6-125.2 113.6 45.5 22.2 58.6 196 219 A G S S- 0 0 58 -2,-0.5 2,-0.4 2,-0.1 -69,-0.1 -0.314 91.4 -79.0 63.7-162.2 49.1 22.4 57.5 197 220 A f S S- 0 0 17 -71,-0.2 3,-0.1 -3,-0.1 -24,-0.1 -0.985 98.5 -5.1-141.9 134.0 50.4 19.1 56.1 198 221 A A S S+ 0 0 8 -2,-0.4 -29,-2.5 -26,-0.3 2,-0.2 0.663 87.8 152.1 58.2 26.0 51.5 15.9 57.9 199 221AA Q > - 0 0 86 3,-0.4 3,-1.6 -4,-0.4 -31,-0.3 -0.532 53.6 -92.0 -82.7 146.8 51.1 17.7 61.2 200 222 A K T 3 S+ 0 0 150 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.343 105.9 3.7 -60.9 141.3 50.3 15.6 64.3 201 223 A N T 3 S+ 0 0 102 -35,-3.1 -1,-0.3 -36,-0.1 -35,-0.1 0.686 109.0 98.8 56.5 26.7 46.6 15.2 65.2 202 224 A K < + 0 0 68 -3,-1.6 -3,-0.4 -37,-0.3 -7,-0.4 -0.555 54.7 178.6-133.3 69.6 45.7 17.1 62.1 203 225 A P - 0 0 3 0, 0.0 -39,-0.2 0, 0.0 -8,-0.2 -0.218 36.3 -87.3 -73.9 165.1 44.8 14.5 59.5 204 226 A G E -G 163 0B 1 -41,-1.2 -41,-2.0 -10,-0.1 2,-0.4 -0.338 36.2-139.5 -67.4 148.8 43.6 15.3 55.9 205 227 A V E -GI 162 193B 1 -12,-2.9 -12,-1.8 -43,-0.2 -13,-1.7 -0.926 20.3-169.9-115.6 135.2 39.9 15.9 55.2 206 228 A Y E -GI 161 191B 1 -45,-3.2 -45,-2.2 -2,-0.4 2,-0.3 -0.943 29.4-105.9-128.8 142.6 38.2 14.5 52.1 207 229 A T E -GI 160 190B 2 -17,-2.2 2,-1.2 -2,-0.3 -17,-1.1 -0.567 36.7-124.9 -67.1 131.4 34.9 14.9 50.4 208 230 A K E > - I 0 189B 42 -49,-2.2 3,-2.1 -2,-0.3 -19,-0.2 -0.672 27.1-173.0 -85.4 89.1 32.8 11.8 51.0 209 231 A V G > S+ 0 0 0 -21,-1.7 3,-2.4 -2,-1.2 4,-0.3 0.740 74.1 72.4 -59.6 -30.6 31.9 10.8 47.5 210 232 A c G 3 S+ 0 0 23 -22,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.729 92.9 59.0 -63.6 -19.1 29.5 8.0 48.4 211 233 A N G < S+ 0 0 71 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.573 107.4 45.6 -77.7 -9.2 27.1 10.7 49.5 212 234 A Y S <> S+ 0 0 7 -3,-2.4 4,-2.7 -4,-0.2 5,-0.2 0.302 73.2 106.9-116.9 6.5 27.0 12.3 46.0 213 235 A V H > S+ 0 0 28 -3,-0.5 4,-2.9 -4,-0.3 5,-0.2 0.856 82.8 49.0 -65.1 -35.5 26.6 9.4 43.5 214 236 A S H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.891 112.9 47.9 -65.2 -42.3 23.0 10.1 42.7 215 237 A W H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.929 113.8 48.1 -65.3 -40.7 23.8 13.7 42.0 216 238 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.969 113.9 44.9 -65.0 -50.2 26.8 12.7 39.9 217 239 A K H X S+ 0 0 129 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.866 115.9 46.8 -63.3 -33.6 24.9 10.1 37.8 218 240 A Q H X S+ 0 0 120 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.871 113.3 48.8 -77.6 -37.5 21.9 12.4 37.3 219 241 A T H >< S+ 0 0 17 -4,-2.2 3,-0.6 -5,-0.3 4,-0.5 0.929 110.9 47.5 -68.3 -45.9 24.1 15.4 36.4 220 242 A I H >< S+ 0 0 34 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.868 110.5 53.2 -68.1 -31.9 26.2 13.6 33.8 221 243 A A H 3< S+ 0 0 86 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.710 112.4 45.7 -73.6 -16.3 23.2 12.1 32.2 222 244 A S T << 0 0 97 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.397 360.0 360.0-104.0 3.4 21.6 15.5 31.8 223 245 A N < 0 0 67 -3,-0.8 -2,-0.2 -4,-0.5 -3,-0.1 0.281 360.0 360.0-136.1 360.0 24.6 17.4 30.5