==== 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 1O2O . 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.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9169.0 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 . 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 . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 7.6 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 0.000 360.0 360.0 360.0 130.4 53.0 -3.6 25.0 2 17 A V B +A 171 0A 10 169,-2.8 169,-1.8 1,-0.2 123,-0.1 -0.903 360.0 6.9-108.7 136.2 53.0 -7.3 23.9 3 18 A G S S+ 0 0 50 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.731 103.1 119.4 67.4 24.0 55.1 -8.4 20.8 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.179 56.9-119.4-104.3-161.8 56.8 -4.9 20.6 5 20 A Y E -B 137 0B 93 132,-2.6 132,-2.6 -3,-0.1 2,-0.3 -0.936 33.3 -82.7-139.4 163.6 60.5 -3.8 20.9 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.511 36.7-148.5 -67.1 126.5 62.6 -1.6 23.2 7 22 A a - 0 0 16 128,-2.2 -1,-0.2 -2,-0.3 129,-0.1 0.844 35.2-112.9 -66.7 -37.1 62.3 1.9 21.9 8 23 A G > - 0 0 29 127,-0.5 3,-1.8 4,-0.0 4,-0.3 0.149 49.9 -60.8 107.7 133.2 65.7 3.1 22.8 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.217 117.6 -6.8 -55.4 135.7 66.1 5.8 25.5 10 25 A N T 3 S+ 0 0 35 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.589 89.7 123.8 53.7 25.5 64.4 9.1 24.8 11 26 A T S < S+ 0 0 86 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.614 78.8 49.7 -82.9 -10.9 63.4 8.1 21.2 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.5 1,-0.1 -1,-0.3 -0.690 72.2 171.8-123.1 73.9 59.8 8.9 22.2 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.610 71.9 56.5 -68.0 -13.2 60.3 12.4 23.9 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.6 88,-0.1 2,-0.2 0.524 81.7 107.5 -94.4 -10.4 56.5 13.1 24.3 15 30 A Q E < -J 28 0C 6 -3,-1.5 36,-0.5 13,-0.2 37,-0.4 -0.465 48.1-174.6 -70.2 136.9 55.8 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 -0.889 20.0-138.2-129.3 161.5 55.1 10.4 30.0 17 32 A S E -JK 26 49C 1 32,-1.8 32,-2.5 -2,-0.3 2,-0.6 -0.948 15.5-142.6-115.0 133.9 54.5 7.9 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.2 -2,-0.4 7,-1.0 -0.909 27.2-170.2-100.3 126.6 51.8 8.8 35.4 19 34 A N E +JK 23 47C 18 28,-2.7 28,-2.0 -2,-0.6 4,-0.2 -0.974 32.3 169.6-123.5 133.2 53.1 7.7 38.8 20 37 A S S S- 0 0 36 2,-1.9 3,-0.1 -2,-0.4 26,-0.1 -0.338 97.0 -49.1-130.2 43.9 51.2 7.5 42.3 21 38 A G S S+ 0 0 69 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.405 140.1 35.6 100.9 -0.2 54.2 5.6 44.0 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-1.9 0, 0.0 2,-0.3 -0.926 102.1 -87.6-169.9 157.9 54.3 3.1 41.0 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.631 51.1 159.1 -74.4 127.6 53.7 3.5 37.2 24 41 A F E + 0 0 32 -6,-2.2 2,-0.3 1,-0.4 151,-0.3 0.619 59.3 2.2-125.3 -27.7 49.9 3.1 36.5 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.966 61.8-122.9-152.5 169.8 49.3 4.8 33.1 26 43 A G E -J 17 0C 2 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.410 25.8-179.0-104.7-178.3 51.0 6.6 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.961 23.3-116.7-169.6 172.2 50.2 10.0 28.8 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.988 19.9-130.4-127.5 132.5 51.4 12.4 26.0 29 46 A L E + L 0 35C 0 -15,-2.6 74,-1.9 -2,-0.4 6,-0.3 -0.700 29.3 172.0 -79.0 121.6 53.0 15.8 26.5 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.660 68.0 -5.8-108.0 -19.8 51.2 18.3 24.3 31 48 A N E > S- L 0 34C 49 3,-1.4 3,-0.8 70,-0.1 -1,-0.3 -0.926 90.9 -83.6-155.6 175.6 52.7 21.6 25.4 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.5 1,-0.2 60,-0.1 0.639 126.9 32.8 -68.8 -5.5 55.1 22.4 28.3 33 50 A Q T 3 S+ 0 0 69 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.399 111.5 66.2-124.9 2.3 52.4 22.5 30.9 34 51 A W E < -LM 31 89C 9 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.4 -0.969 48.4-175.0-133.2 144.3 49.8 20.0 29.7 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.3 -2,-0.4 2,-0.4 -0.952 16.6-144.7-125.9 147.4 49.6 16.2 29.2 36 53 A V E +LM 28 87C 0 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.937 32.6 152.0-114.0 139.2 46.7 14.2 27.6 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.1 -2,-0.4 2,-0.3 -0.701 50.3 -71.6-144.7-166.0 45.9 10.8 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.785 34.0-128.2 -98.9 142.1 42.7 8.6 29.3 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.843 107.5 64.0 -58.8 -32.5 39.9 9.6 31.8 40 57 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.518 93.6 61.7 -73.5 2.9 39.9 6.1 33.3 41 58 A b G < S+ 0 0 5 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.343 80.8 128.0-102.2 2.6 43.5 6.7 34.5 42 59 A Y < + 0 0 119 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.0 -0.273 21.3 130.3 -61.8 148.9 42.2 9.6 36.6 43 60 A K - 0 0 55 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.897 53.7 -99.8 178.6 166.5 43.0 9.7 40.4 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.562 96.2 47.4 -98.7 168.1 44.4 12.3 42.8 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.967 73.3 165.5 71.7 48.8 48.0 12.5 43.8 46 63 A I - 0 0 11 -3,-0.2 21,-1.7 21,-0.1 2,-0.5 -0.802 22.3-165.6-100.7 140.6 49.5 12.1 40.3 47 64 A Q E -KN 19 66C 52 -28,-2.0 -28,-2.7 -2,-0.4 2,-0.5 -0.995 16.6-142.4-121.4 130.6 53.2 12.9 39.7 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.4 -2,-0.5 2,-0.6 -0.832 10.6-157.4 -96.0 129.6 54.0 13.1 35.9 49 65AA R E -KN 17 64C 48 -32,-2.5 -32,-1.8 -2,-0.5 3,-0.3 -0.951 12.8-177.1-114.5 113.9 57.4 11.7 34.9 50 66 A L E + N 0 63C 3 13,-2.6 13,-1.7 -2,-0.6 -34,-0.1 -0.644 63.3 30.2-103.7 158.8 58.9 13.1 31.7 51 69 A G S S+ 0 0 7 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.1 0.697 85.5 152.2 65.3 21.1 62.2 12.0 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.439 20.4 150.9 -84.2 156.5 61.9 8.5 31.4 53 71 A D S S+ 0 0 19 1,-0.4 2,-0.8 4,-0.2 82,-0.5 0.255 79.1 32.4-143.6 -71.5 63.2 5.3 29.9 54 72 A N B > S-P 134 0D 24 80,-0.2 3,-0.9 3,-0.2 -1,-0.4 -0.849 73.5-161.4 -92.7 113.4 63.9 2.9 32.7 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.571 84.3 53.6 -74.5 -7.3 61.1 3.7 35.3 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.481 107.2 52.7-104.0 -1.7 62.8 2.1 38.3 57 75 A V S < S- 0 0 70 -3,-0.9 2,-0.5 76,-0.2 -4,-0.2 -0.999 73.8-135.5-130.2 134.2 66.3 3.9 38.0 58 76 A V + 0 0 110 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.773 36.1 162.2 -85.6 128.0 67.0 7.7 37.7 59 77 A E - 0 0 113 -2,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.428 57.6 -82.9-124.1 -6.9 69.6 7.7 34.8 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.2 0, 0.0 3,-0.1 -0.139 103.9 68.0 113.5 150.7 69.4 11.4 33.9 61 79 A N + 0 0 75 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.258 69.7 133.4 89.4 -5.7 66.9 13.5 31.7 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.484 35.2-173.5 -80.2 143.3 64.0 12.9 34.1 63 81 A Q E -N 50 0C 38 -13,-1.7 -13,-2.6 -2,-0.2 2,-0.5 -0.995 6.2-165.1-132.2 124.1 61.7 15.7 35.2 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.983 17.4 170.1-111.9 119.7 59.2 14.7 37.9 65 83 A I E -N 48 0C 16 -17,-2.4 -17,-3.0 -2,-0.5 2,-0.2 -0.989 30.5-124.1-131.5 140.5 56.4 17.4 38.2 66 84 A S E -N 47 0C 53 -2,-0.4 25,-3.1 -19,-0.2 26,-0.3 -0.542 31.3-107.3 -83.5 154.2 53.2 17.1 40.2 67 85 A A E -O 90 0C 21 -21,-1.7 23,-0.3 23,-0.2 -21,-0.1 -0.592 20.8-160.4 -76.1 136.9 49.8 17.6 38.4 68 86 A S E S- 0 0 77 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.928 76.2 -12.9 -84.9 -52.9 48.0 21.0 39.2 69 87 A K E -O 89 0C 88 20,-0.6 20,-2.5 -25,-0.0 2,-0.4 -0.957 57.8-145.9-142.4 159.4 44.5 19.8 38.0 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.991 14.3-160.0-125.0 133.1 43.2 16.8 36.0 71 89 A I E -O 87 0C 31 16,-2.9 16,-2.2 -2,-0.4 2,-0.3 -0.944 4.0-160.6-119.2 106.8 40.2 17.6 33.8 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.658 40.0 -93.3 -83.7 144.5 38.3 14.4 32.8 73 91 A H > - 0 0 22 12,-2.1 3,-1.7 10,-0.3 -1,-0.1 -0.350 34.0-128.9 -55.6 134.1 36.0 15.0 29.8 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.793 107.2 48.3 -61.2 -28.2 32.5 16.0 31.2 75 93 A S T 3 S+ 0 0 75 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.123 78.0 136.1 -98.9 21.0 30.8 13.3 29.0 76 94 A Y < - 0 0 55 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.518 40.6-158.4 -66.6 134.9 33.2 10.5 29.9 77 95 A N B >> -Q 82 0E 65 5,-2.0 4,-2.5 -2,-0.2 5,-0.6 -0.964 8.7-159.2-117.3 112.1 31.1 7.4 30.6 78 96 A S T 45S+ 0 0 82 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.708 89.4 55.6 -67.2 -15.2 32.9 4.8 32.7 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.895 123.8 20.3 -86.3 -38.0 30.7 2.0 31.5 80 98 A T T 45S- 0 0 66 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.672 94.2-133.0-100.6 -17.0 31.3 2.4 27.8 81 99 A L T ><5 + 0 0 32 -4,-2.5 3,-0.7 1,-0.3 2,-0.2 0.708 48.7 159.2 70.2 28.4 34.5 4.3 28.1 82 100 A N B 3 < +Q 77 0E 36 -5,-0.6 -5,-2.0 1,-0.3 -1,-0.3 -0.606 66.8 18.9 -77.8 145.5 33.1 6.8 25.5 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.894 80.8 173.3 60.3 46.9 35.0 10.2 25.7 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.454 32.5 114.3 -82.4 72.5 37.9 8.4 27.5 85 103 A I - 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.991 38.6-178.3-142.2 149.1 40.2 11.5 27.5 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.5 -2,-0.3 2,-0.4 -0.990 16.5-145.0-146.3 145.6 41.7 13.6 30.3 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-2.9 -2,-0.3 2,-0.4 -0.890 12.5-162.5-111.6 144.0 43.9 16.7 30.4 88 106 A I E -MO 35 70C 0 -53,-2.3 -53,-2.2 -2,-0.4 2,-0.4 -0.997 6.6-152.1-125.2 130.6 46.4 17.2 33.2 89 107 A K E -MO 34 69C 44 -20,-2.5 -21,-3.1 -2,-0.4 -20,-0.6 -0.818 21.1-129.4 -99.3 143.6 47.9 20.6 33.8 90 108 A L E - O 0 67C 1 -57,-2.9 -23,-0.2 -2,-0.4 3,-0.1 -0.648 12.8-122.9 -92.0 152.1 51.4 20.4 35.4 91 109 A K S S+ 0 0 139 -25,-3.1 2,-0.3 -2,-0.2 -1,-0.1 0.843 97.8 7.1 -63.0 -33.0 52.3 22.4 38.5 92 110 A S S S- 0 0 67 -26,-0.3 -1,-0.1 -60,-0.1 -24,-0.0 -0.974 95.0 -90.0-143.4 156.9 55.3 24.1 36.6 93 111 A A - 0 0 49 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.296 37.2-122.2 -68.9 154.3 56.3 23.9 33.0 94 112 A A - 0 0 8 -62,-2.5 2,-0.7 -63,-0.1 -1,-0.1 -0.506 25.7-113.2 -88.2 160.0 58.6 21.2 31.8 95 113 A S - 0 0 81 -2,-0.2 2,-0.3 6,-0.0 5,-0.0 -0.905 37.0-149.4 -96.8 119.0 61.9 22.3 30.0 96 114 A L + 0 0 71 -2,-0.7 5,-0.2 3,-0.1 2,-0.2 -0.622 38.3 128.1 -90.5 150.1 61.4 21.1 26.4 97 115 A N S S- 0 0 65 3,-3.4 -1,-0.0 -2,-0.3 0, 0.0 -0.632 75.6 -55.9-164.9-139.3 64.4 20.0 24.3 98 116 A S S S+ 0 0 82 -2,-0.2 3,-0.2 1,-0.1 -2,-0.0 0.755 133.1 45.5 -95.7 -29.5 65.1 16.8 22.3 99 117 A R S S+ 0 0 100 1,-0.3 2,-0.5 -87,-0.1 -48,-0.2 0.691 123.8 36.4 -87.0 -18.0 64.6 14.2 25.0 100 118 A V S S+ 0 0 0 -50,-0.1 -3,-3.4 -49,-0.1 2,-0.3 -0.980 79.8 145.8-132.5 117.2 61.4 15.9 26.2 101 119 A A - 0 0 28 -88,-1.4 -72,-0.2 -2,-0.5 2,-0.2 -0.965 44.0-116.6-147.0 156.8 59.3 17.4 23.4 102 120 A S - 0 0 51 -2,-0.3 2,-0.3 -72,-0.1 -72,-0.3 -0.494 25.3-131.5 -91.1 165.0 55.6 17.8 22.9 103 121 A I - 0 0 18 -74,-1.9 2,-0.2 -2,-0.2 83,-0.1 -0.823 26.1-109.0-113.5 156.4 53.7 16.0 20.1 104 122 A S B -c 186 0B 67 81,-0.7 83,-3.0 -2,-0.3 -73,-0.1 -0.535 22.3-122.9 -86.1 152.0 51.3 17.8 17.7 105 123 A L - 0 0 36 81,-0.2 83,-0.1 -2,-0.2 -1,-0.0 -0.614 40.1-101.3 -88.4 154.7 47.5 17.4 17.7 106 124 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.219 16.6-157.4 -78.1 167.3 46.0 16.3 14.3 107 125 A T S S+ 0 0 125 1,-0.3 2,-0.3 2,-0.1 -2,-0.0 0.520 85.1 20.4-113.1 -20.8 44.2 18.5 11.8 108 127 A S S S- 0 0 76 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.931 88.6-103.2-142.2 166.3 42.4 15.5 10.2 109 128 A c - 0 0 56 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.1 -0.494 42.8-113.9 -85.1 163.9 41.6 12.1 11.4 110 129 A A - 0 0 30 -2,-0.1 2,-0.2 78,-0.1 -1,-0.1 -0.562 27.3-120.8 -95.8 166.8 43.8 9.3 10.0 111 130 A S > - 0 0 88 -2,-0.2 3,-1.9 1,-0.2 31,-0.3 -0.592 35.6 -83.6-102.6 166.9 42.5 6.5 7.7 112 132 A A T 3 S+ 0 0 50 1,-0.3 31,-0.2 -2,-0.2 -1,-0.2 -0.278 118.2 36.5 -61.0 154.3 42.5 2.8 8.1 113 133 A G T 3 S+ 0 0 53 29,-3.5 -1,-0.3 1,-0.3 2,-0.1 0.278 79.7 134.8 82.4 -15.9 45.8 1.4 7.0 114 134 A T < - 0 0 36 -3,-1.9 28,-2.1 28,-0.1 2,-0.3 -0.530 55.7-132.9 -64.9 138.4 47.7 4.4 8.4 115 135 A Q E -D 141 0B 107 26,-0.2 69,-0.4 -2,-0.1 2,-0.3 -0.768 31.4-178.0 -91.5 137.9 50.7 2.8 10.3 116 136 A d E -D 140 0B 6 24,-2.5 24,-2.4 -2,-0.3 2,-0.5 -0.880 26.8-120.2-133.4 166.4 51.2 4.4 13.9 117 137 A L E -DE 139 182B 38 65,-2.8 65,-2.3 -2,-0.3 2,-0.4 -0.936 24.8-173.6-110.2 126.1 53.6 4.0 16.8 118 138 A I E +DE 138 181B 0 20,-3.0 20,-1.9 -2,-0.5 2,-0.3 -0.926 11.9 175.4-116.2 138.6 52.2 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 -0.960 10.3 123.5-143.2 161.1 54.5 2.9 23.3 120 140 A G E -D 136 0B 2 16,-2.2 16,-2.1 -2,-0.3 56,-0.2 -0.920 59.5-102.8 164.1 171.9 54.4 2.3 27.0 121 141 A W S S+ 0 0 2 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.228 73.7 130.0-109.8 37.8 55.6 0.5 30.1 122 142 A G - 0 0 0 1,-0.2 53,-0.3 9,-0.1 52,-0.1 -0.316 68.7 -52.4 -89.8 176.8 52.5 -1.8 30.2 123 143 A N - 0 0 9 51,-2.7 8,-0.2 8,-0.1 -1,-0.2 -0.071 38.9-161.8 -47.6 142.8 52.3 -5.5 30.5 124 144 A T + 0 0 44 6,-2.2 -121,-0.5 -3,-0.1 2,-0.3 0.382 69.6 71.9-108.7 -0.3 54.3 -7.5 27.9 125 145 A K - 0 0 99 3,-0.3 3,-0.3 5,-0.2 5,-0.2 -0.870 61.6-155.3-115.5 147.6 52.4 -10.9 28.4 126 146 A S S S+ 0 0 53 -2,-0.3 71,-0.4 1,-0.3 2,-0.3 0.630 96.6 42.8 -94.5 -16.1 48.8 -11.6 27.2 127 147 A S S S+ 0 0 86 69,-0.1 -1,-0.3 1,-0.0 2,-0.2 -0.780 122.4 1.0-128.0 84.4 48.6 -14.3 29.9 128 148 A G S S- 0 0 42 -2,-0.3 2,-0.5 -3,-0.3 -3,-0.3 -0.491 89.9 -74.9 122.6 165.5 50.1 -13.1 33.3 129 149 A T + 0 0 105 -2,-0.2 2,-0.4 -5,-0.1 -3,-0.1 -0.888 48.5 157.5-105.3 124.4 51.7 -9.8 34.4 130 150 A S - 0 0 55 -2,-0.5 -6,-2.2 -5,-0.2 -5,-0.2 -0.890 17.9-171.1-141.5 102.9 55.2 -8.9 33.3 131 151 A Y - 0 0 105 -2,-0.4 -8,-0.1 -8,-0.2 -9,-0.1 -0.851 16.4-136.2-100.6 134.8 55.8 -5.2 33.4 132 152 A P - 0 0 19 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.287 8.3-138.4 -86.5 171.8 59.1 -4.0 31.9 133 153 A D S S+ 0 0 83 -79,-0.1 -78,-2.5 -78,-0.1 2,-0.3 0.774 86.5 52.2 -98.8 -36.7 61.6 -1.4 33.3 134 154 A V B S-P 54 0D 35 -80,-0.3 -80,-0.2 -79,-0.1 2,-0.1 -0.729 98.4 -86.1-107.4 157.6 62.2 0.3 29.9 135 155 A L - 0 0 5 -82,-0.5 -128,-2.2 -2,-0.3 -127,-0.5 -0.304 40.3-154.4 -59.5 129.3 59.8 1.8 27.3 136 156 A K E -BD 6 120B 45 -16,-2.1 -16,-2.2 -130,-0.2 2,-0.3 -0.792 6.5-157.3-108.3 151.9 58.5 -0.6 24.7 137 157 A a E -BD 5 119B 3 -132,-2.6 -132,-2.6 -2,-0.3 2,-0.3 -0.886 10.4-176.7-128.1 152.9 57.2 0.3 21.2 138 158 A L E - D 0 118B 7 -20,-1.9 -20,-3.0 -2,-0.3 2,-0.5 -0.980 18.7-144.6-151.1 138.2 54.9 -1.3 18.6 139 159 A K E + D 0 117B 117 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.919 32.7 169.9-102.3 129.0 54.1 -0.1 15.1 140 160 A A E - D 0 116B 0 -24,-2.4 -24,-2.5 -2,-0.5 2,-0.2 -0.996 28.9-124.9-141.1 143.1 50.4 -1.0 14.4 141 161 A P E - D 0 115B 24 0, 0.0 23,-2.1 0, 0.0 2,-0.3 -0.607 27.2-113.3 -85.4 151.2 47.9 -0.0 11.6 142 162 A I B -F 163 0B 11 -28,-2.1 -29,-3.5 -31,-0.3 21,-0.3 -0.634 38.7-135.7 -75.7 137.7 44.6 1.7 12.1 143 163 A L - 0 0 26 19,-2.9 19,-0.3 -2,-0.3 2,-0.1 -0.493 21.3 -95.0 -94.6 166.2 41.8 -0.9 11.1 144 164 A S > - 0 0 41 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.408 34.7-113.6 -75.9 157.4 38.7 -0.2 9.0 145 165 A D H > S+ 0 0 89 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.884 115.8 57.1 -60.4 -38.6 35.4 0.6 10.9 146 166 A S H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 108.9 43.6 -63.5 -41.1 33.9 -2.6 9.7 147 167 A S H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 114.4 51.4 -70.7 -37.4 36.6 -4.8 11.1 148 168 A e H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.964 114.5 43.2 -61.0 -49.5 36.6 -2.7 14.4 149 169 A K H < S+ 0 0 108 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.799 110.7 54.1 -66.5 -30.4 32.7 -3.2 14.6 150 170 A S H < S+ 0 0 96 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.837 112.2 47.2 -73.4 -32.3 32.8 -6.9 13.7 151 171 A A H < S+ 0 0 12 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 129.7 19.0 -76.7 -38.4 35.3 -7.3 16.5 152 172 A Y S >X S- 0 0 0 -4,-2.1 3,-2.2 -5,-0.2 4,-0.7 -0.550 83.6-164.2-125.5 65.6 33.4 -5.4 19.2 153 173 A P T 34 S+ 0 0 87 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.248 75.8 5.6 -56.4 137.1 29.8 -5.3 17.9 154 174 A G T 34 S+ 0 0 90 2,-0.1 -5,-0.1 1,-0.1 3,-0.0 0.434 116.5 81.2 71.9 -1.1 27.7 -2.6 19.7 155 175 A Q T <4 + 0 0 88 -3,-2.2 2,-0.6 -6,-0.2 -1,-0.1 0.559 65.9 87.8-113.4 -5.0 30.7 -1.3 21.7 156 176 A I < - 0 0 26 -4,-0.7 2,-0.1 -7,-0.1 -2,-0.1 -0.808 54.3-172.2 -96.2 121.7 32.5 1.1 19.3 157 177 A T > - 0 0 44 -2,-0.6 3,-1.3 -77,-0.1 -2,-0.1 -0.446 44.3 -95.5-100.7-179.6 31.3 4.7 19.2 158 178 A S T 3 S+ 0 0 88 1,-0.3 53,-0.1 -2,-0.1 -1,-0.1 0.436 121.5 64.9 -77.6 4.4 32.4 7.4 16.7 159 179 A N T 3 S+ 0 0 27 48,-0.0 49,-2.1 51,-0.0 2,-0.3 0.111 97.5 65.4-112.1 20.2 35.0 8.5 19.3 160 180 A M E < - G 0 207B 8 -3,-1.3 2,-0.3 47,-0.3 47,-0.2 -0.939 55.4-177.2-137.2 158.7 37.0 5.3 19.1 161 181 A F E - G 0 206B 11 45,-1.4 45,-2.7 -2,-0.3 2,-0.3 -0.966 23.3-124.5-150.7 157.0 39.0 3.4 16.4 162 182 A e E + G 0 205B 1 -2,-0.3 -19,-2.9 -19,-0.3 2,-0.3 -0.808 26.1 175.8-107.2 147.9 40.8 0.1 16.4 163 183 A A E +FG 142 204B 0 41,-1.6 41,-1.4 -2,-0.3 2,-0.3 -0.980 36.4 59.1-144.9 149.1 44.5 -0.4 15.6 164 184 A G S S- 0 0 3 -23,-2.1 2,-0.4 -2,-0.3 7,-0.1 -0.932 81.6 -46.5 136.0-161.2 46.5 -3.7 15.8 165 184AA Y > - 0 0 51 5,-0.6 3,-2.0 -2,-0.3 37,-0.2 -0.976 26.9-157.1-122.1 113.1 46.7 -7.2 14.4 166 185 A L T 3 S+ 0 0 57 -2,-0.4 35,-2.8 1,-0.3 36,-0.1 0.700 95.9 64.5 -65.3 -18.3 43.7 -9.5 14.2 167 186 A E T 3 S- 0 0 131 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.683 104.7-139.5 -79.9 -12.8 46.0 -12.5 14.2 168 187 A G < + 0 0 9 -3,-2.0 31,-0.2 31,-0.2 -1,-0.2 -0.308 67.6 103.0 88.7-176.9 47.1 -11.5 17.8 169 188 A G S S+ 0 0 43 29,-2.1 2,-0.4 28,-0.1 30,-0.1 -0.055 80.4 62.8 89.1 -33.7 50.6 -11.5 19.4 170 188AA K + 0 0 82 -5,-0.2 -5,-0.6 -2,-0.1 2,-0.3 -0.990 67.3 116.8-127.6 122.5 51.2 -7.8 19.1 171 189 A D B -A 2 0A 6 -169,-1.8 -169,-2.8 -2,-0.4 2,-0.2 -0.977 60.8 -95.6-168.5 173.4 49.1 -5.2 21.0 172 190 A S - 0 0 9 -2,-0.3 26,-0.4 -171,-0.2 2,-0.3 -0.472 48.8-178.7 -90.7 173.5 49.0 -2.5 23.7 173 191 A f >> - 0 0 13 -2,-0.2 3,-2.2 24,-0.1 4,-0.5 -0.909 37.0 -38.0-158.7-175.6 47.9 -3.8 27.2 174 192 A Q T 34 S+ 0 0 132 -2,-0.3 -51,-2.7 1,-0.3 -149,-0.1 -0.266 125.9 32.7 -53.8 136.1 47.2 -2.8 30.8 175 193 A G T 34 S+ 0 0 5 -151,-0.3 -54,-0.5 -53,-0.3 -1,-0.3 -0.051 104.2 76.7 101.6 -29.6 49.8 -0.1 31.9 176 194 A D T X4 + 0 0 0 -3,-2.2 3,-2.2 -56,-0.2 15,-0.3 0.719 69.6 123.9 -81.6 -22.9 49.9 1.2 28.4 177 195 A S T 3< S+ 0 0 13 -4,-0.5 -151,-2.9 1,-0.3 15,-0.2 -0.071 71.2 21.6 -38.1 131.8 46.5 3.0 29.1 178 196 A G T 3 S+ 0 0 0 13,-2.5 -1,-0.3 1,-0.3 -150,-0.1 0.150 99.8 122.1 89.9 -15.2 46.5 6.7 28.6 179 197 A G < - 0 0 0 -3,-2.2 12,-2.3 1,-0.1 -1,-0.3 -0.177 62.0 -79.1 -83.6 178.5 49.5 6.6 26.3 180 198 A P E - H 0 190B 0 0, 0.0 -61,-0.9 0, 0.0 2,-0.5 -0.334 18.8-169.4 -84.2 151.1 50.0 7.7 22.7 181 199 A V E -EH 118 189B 0 8,-1.5 7,-2.2 -63,-0.2 8,-1.9 -0.982 27.3-172.7-128.7 108.6 49.2 6.3 19.2 182 200 A V E +EH 117 187B 12 -65,-2.3 -65,-2.8 -2,-0.5 2,-0.4 -0.943 8.8 179.1-114.7 129.0 51.2 8.7 16.9 183 201 A d E > S- H 0 186B 3 3,-2.1 3,-2.3 -2,-0.5 -67,-0.2 -0.992 71.7 -8.6-129.5 136.5 50.8 8.5 13.2 184 202 A S T 3 S- 0 0 112 -69,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.842 129.2 -57.9 46.0 38.6 52.7 10.7 10.7 185 203 A G T 3 S+ 0 0 43 1,-0.2 -81,-0.7 -3,-0.1 2,-0.4 0.712 115.0 110.2 71.4 18.5 53.9 12.8 13.7 186 204 A K E < S-cH 104 183B 70 -3,-2.3 -3,-2.1 -83,-0.1 2,-0.9 -0.962 75.8-116.1-124.3 146.2 50.4 13.6 15.0 187 209 A L E + H 0 182B 0 -83,-3.0 -5,-0.2 -2,-0.4 3,-0.1 -0.683 47.3 159.3 -78.7 110.0 48.8 12.3 18.2 188 210 A Q E + 0 0 13 -7,-2.2 21,-1.4 -2,-0.9 22,-0.5 0.728 54.5 24.4-106.3 -27.5 45.8 10.4 16.7 189 211 A G E -IH 208 181B 0 -8,-1.9 -8,-1.5 19,-0.2 2,-0.4 -0.919 53.4-147.1-139.2 167.0 44.9 7.9 19.6 190 212 A I E -IH 207 180B 0 17,-0.7 17,-2.0 -2,-0.3 2,-0.2 -0.996 40.0-109.3-129.2 128.8 45.0 7.3 23.3 191 213 A V E +I 206 0B 5 -12,-2.3 -13,-2.5 -2,-0.4 15,-0.2 -0.468 56.2 153.4 -59.5 124.3 45.4 3.7 24.5 192 214 A S E - 0 0 8 13,-1.7 2,-0.2 1,-0.3 14,-0.2 0.686 45.9 -34.3-123.0 -68.9 41.9 2.9 26.0 193 215 A W E +I 205 0B 50 12,-1.6 12,-2.8 -112,-0.0 -1,-0.3 -0.865 42.3 167.3-149.7-177.9 40.6 -0.7 26.1 194 216 A G - 0 0 26 -2,-0.2 2,-0.9 10,-0.2 10,-0.1 -0.916 50.2 -86.5 176.1 169.1 40.5 -4.1 24.4 195 217 A S S S- 0 0 50 8,-0.4 4,-0.4 -2,-0.3 7,-0.1 -0.863 93.6 -42.4 -97.1 106.8 39.4 -7.6 25.4 196 219 A G S S- 0 0 56 -2,-0.9 2,-0.4 2,-0.1 -69,-0.1 -0.286 92.4 -71.5 67.5-159.8 42.5 -9.1 27.0 197 220 A f S S- 0 0 16 -71,-0.4 -24,-0.1 1,-0.1 3,-0.1 -1.000 102.0 -5.5-138.1 136.8 45.8 -8.3 25.2 198 221 A A S S+ 0 0 11 -2,-0.4 -29,-2.1 -26,-0.4 2,-0.2 0.701 85.5 153.5 55.3 29.8 47.1 -9.6 21.9 199 221AA Q > - 0 0 79 3,-0.5 3,-1.6 -4,-0.4 -31,-0.2 -0.553 54.3 -94.6 -85.2 150.0 44.2 -12.0 21.6 200 222 A K T 3 S+ 0 0 140 1,-0.3 -33,-0.2 -2,-0.2 -34,-0.1 -0.361 106.2 4.5 -62.6 139.9 43.2 -13.1 18.1 201 223 A N T 3 S+ 0 0 77 -35,-2.8 -1,-0.3 1,-0.1 -35,-0.1 0.494 107.7 98.4 61.7 6.8 40.3 -11.0 16.6 202 224 A K < - 0 0 76 -3,-1.6 -3,-0.5 -37,-0.2 -4,-0.2 -0.715 55.9-179.1-123.7 76.2 40.3 -8.6 19.6 203 225 A P - 0 0 3 0, 0.0 -8,-0.4 0, 0.0 2,-0.2 -0.038 34.8 -86.9 -63.1 173.1 42.3 -5.5 18.7 204 226 A G E -G 163 0B 1 -41,-1.4 -41,-1.6 -10,-0.1 2,-0.4 -0.587 35.6-141.7 -85.0 151.9 43.0 -2.5 20.9 205 227 A V E -GI 162 193B 1 -12,-2.8 -13,-1.7 -43,-0.2 -12,-1.6 -0.948 19.7-168.6-117.0 133.2 40.5 0.3 21.0 206 228 A Y E -GI 161 191B 2 -45,-2.7 -45,-1.4 -2,-0.4 2,-0.2 -0.907 29.6-104.5-124.4 149.3 41.8 3.9 21.1 207 229 A T E -GI 160 190B 3 -17,-2.0 2,-1.4 -2,-0.3 -17,-0.7 -0.592 37.5-124.6 -72.9 136.7 40.2 7.3 21.8 208 230 A K E > - I 0 189B 50 -49,-2.1 3,-1.8 -2,-0.2 4,-0.3 -0.658 28.2-171.8 -86.4 86.5 39.9 9.2 18.4 209 231 A V G >> S+ 0 0 0 -21,-1.4 3,-2.3 -2,-1.4 4,-0.5 0.787 74.6 71.7 -52.3 -35.8 41.8 12.4 19.3 210 232 A c G >4 S+ 0 0 20 -22,-0.5 3,-0.7 1,-0.3 4,-0.3 0.820 94.6 58.3 -55.5 -28.5 40.9 14.3 16.1 211 233 A N G <4 S+ 0 0 68 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.616 108.7 45.0 -77.2 -10.5 37.3 14.5 17.5 212 234 A Y G <> S+ 0 0 6 -3,-2.3 4,-2.8 -4,-0.3 5,-0.2 0.363 77.7 102.3-114.5 7.3 38.6 16.3 20.6 213 235 A V H S+ 0 0 76 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.893 115.5 48.1 -62.4 -40.3 38.5 21.9 19.5 215 237 A W H > S+ 0 0 40 2,-0.2 4,-3.1 -4,-0.2 5,-0.3 0.952 111.4 47.9 -67.0 -49.1 37.7 20.7 23.1 216 238 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.971 115.2 46.6 -57.3 -53.8 41.4 20.3 24.1 217 239 A K H X S+ 0 0 128 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.921 116.1 43.5 -55.7 -50.4 42.2 23.8 22.6 218 240 A Q H X S+ 0 0 133 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.941 115.9 48.5 -62.8 -48.7 39.1 25.5 24.4 219 241 A T H X S+ 0 0 16 -4,-3.1 4,-0.6 -5,-0.2 -2,-0.2 0.946 114.0 44.5 -61.2 -46.4 39.7 23.8 27.7 220 242 A I H >< S+ 0 0 36 -4,-2.9 3,-1.3 -5,-0.3 -1,-0.2 0.951 114.0 52.7 -63.7 -43.1 43.5 24.6 27.8 221 243 A A H 3< S+ 0 0 80 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.925 110.8 44.4 -59.0 -46.6 42.6 28.1 26.7 222 244 A S H 3< 0 0 96 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.435 360.0 360.0 -81.0 4.4 40.1 28.7 29.5 223 245 A N << 0 0 82 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.1 -0.060 360.0 360.0-128.2 360.0 42.4 27.1 32.2