==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE ZYMOGEN (SERINE PROTEINASE) 07-MAR-79 1TGB . COMPND 2 MOLECULE: TRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.BODE,H.FEHLHAMMER,R.HUBER . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 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 1 2 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 5 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.2 51.8 14.7 49.5 2 17 A V B +A 171 0A 11 169,-3.7 169,-2.0 1,-0.2 123,-0.1 -0.913 360.0 9.7 -98.0 129.1 54.0 14.8 52.6 3 18 A G S S+ 0 0 41 -2,-0.5 -1,-0.2 121,-0.4 2,-0.1 0.909 100.4 96.2 72.6 47.2 55.4 11.5 53.6 4 19 A G - 0 0 43 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.249 63.7-104.7-132.2-137.9 54.7 9.0 50.8 5 20 A Y E -B 137 0B 95 132,-1.7 132,-2.8 -2,-0.1 2,-0.5 -0.970 40.2 -74.7-156.4 162.5 56.5 7.7 47.8 6 21 A T E -B 136 0B 84 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.554 40.3-144.9 -66.5 117.8 56.7 8.0 44.0 7 22 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.884 39.7-107.9 -48.8 -46.7 53.7 6.2 42.7 8 23 A G > - 0 0 26 127,-0.5 3,-1.7 4,-0.0 2,-0.2 -0.042 47.4 -67.1 109.2 133.3 55.4 4.9 39.6 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.350 115.2 -3.7 -62.1 118.5 54.6 6.3 36.1 10 25 A N T 3 S+ 0 0 35 42,-0.4 -1,-0.3 -2,-0.2 43,-0.1 0.684 93.7 121.7 78.5 17.6 51.1 5.6 34.9 11 26 A T < + 0 0 90 -3,-1.7 -2,-0.1 1,-0.2 3,-0.1 0.532 69.0 53.1 -81.3 -9.2 50.2 3.5 37.8 12 27 A V S > S+ 0 0 7 -4,-0.2 3,-1.6 87,-0.1 -1,-0.2 -0.773 73.1 179.2-123.1 79.4 47.2 5.6 38.9 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-2.0 0, 0.0 38,-0.2 0.609 72.1 55.8 -52.7 -21.0 45.4 5.6 35.6 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.417 81.1 119.9 -99.3 -0.1 42.4 7.6 36.6 15 30 A Q E < -J 28 0C 6 -3,-1.6 36,-0.6 13,-0.2 37,-0.4 -0.521 41.9-172.8 -77.6 129.5 44.5 10.5 37.8 16 31 A V E -JK 27 50C 0 11,-2.6 11,-1.4 -2,-0.3 2,-0.5 -0.885 17.2-149.9-124.1 144.8 44.1 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.7 -2,-0.3 2,-0.4 -0.973 13.3-147.3-109.8 132.2 45.9 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-2.5 6,-1.9 -2,-0.5 7,-1.0 -0.855 21.1-165.9 -97.0 135.0 43.8 20.4 35.8 19 34 A N E +JK 23 47C 22 28,-2.5 28,-2.3 -2,-0.4 4,-0.2 -0.986 29.9 169.3-134.4 125.1 46.0 23.0 34.1 20 37 A S S S- 0 0 30 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.339 94.9 -49.2-122.4 47.1 45.4 26.7 33.7 21 38 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.251 137.9 28.1 96.1 -10.1 48.9 27.5 32.5 22 39 A Y S S- 0 0 136 -4,-0.0 -2,-2.0 0, 0.0 2,-0.5 -0.896 105.3 -78.5-173.1 146.6 50.5 25.6 35.4 23 40 A H E +J 19 0C 40 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.514 55.4 155.7 -54.2 114.7 49.2 22.7 37.4 24 41 A F E + 0 0 38 -6,-1.9 2,-0.3 -2,-0.5 153,-0.2 0.576 56.5 9.9-121.4 -8.9 46.7 23.8 40.0 25 42 A b E -J 18 0C 5 -7,-1.0 -7,-2.5 151,-0.1 -1,-0.3 -0.976 60.6-130.9-159.7 159.1 44.4 21.0 41.1 26 43 A G E +J 17 0C 0 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.550 25.2 176.1-104.3 179.4 44.0 17.2 40.7 27 44 A G E -J 16 0C 0 -11,-1.4 -11,-2.6 -2,-0.2 2,-0.4 -0.981 25.9-111.5-170.7 171.8 41.0 15.2 39.6 28 45 A S E -JL 15 36C 0 8,-2.6 8,-2.4 -2,-0.3 2,-0.6 -0.957 21.7-132.9-120.2 135.4 39.6 11.7 38.8 29 46 A L E + L 0 35C 0 -15,-2.5 74,-1.9 -2,-0.4 6,-0.2 -0.757 26.2 173.2 -84.3 123.8 38.4 10.4 35.5 30 47 A I E - 0 0 21 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.644 65.9 -8.7-111.4 -18.2 35.1 8.7 35.9 31 48 A N E > S- L 0 34C 55 3,-1.1 3,-0.6 70,-0.1 -1,-0.4 -0.897 88.7 -79.7-153.8-166.8 34.2 8.0 32.3 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.3 1,-0.3 60,-0.1 0.705 127.8 32.3 -72.4 -20.8 35.6 9.0 28.9 33 50 A Q T 3 S+ 0 0 78 60,-0.2 57,-3.6 1,-0.1 2,-0.4 0.516 109.5 71.0-109.4 -7.9 33.9 12.4 29.0 34 51 A W E < -LM 31 89C 7 -3,-0.6 -4,-2.5 55,-0.2 -3,-1.1 -0.924 45.2-173.9-128.9 143.9 33.9 13.4 32.7 35 52 A V E -LM 29 88C 0 53,-3.1 53,-3.2 -2,-0.4 2,-0.4 -0.932 11.8-152.7-126.3 142.4 36.1 14.4 35.6 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.2 -0.973 29.7 145.8-115.6 136.2 35.3 14.9 39.2 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.4 -2,-0.4 2,-0.2 -0.729 50.8 -65.6-145.7-172.3 37.4 17.3 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-0.9 47,-0.3 47,-0.3 -0.619 33.1-131.7 -84.5 149.5 36.8 19.7 44.2 39 56 A A G > S+ 0 0 3 1,-0.2 3,-2.0 -2,-0.2 -1,-0.1 0.790 104.2 67.1 -67.1 -30.9 34.7 22.9 44.0 40 57 A H G 3 S+ 0 0 58 1,-0.3 -1,-0.2 41,-0.1 137,-0.1 0.505 93.7 66.6 -72.5 -1.8 37.3 25.1 45.5 41 58 A b G < + 0 0 3 -3,-0.9 -1,-0.3 2,-0.0 -2,-0.2 0.391 68.2 135.7 -97.1 3.8 39.2 24.3 42.4 42 59 A Y < + 0 0 145 -3,-2.0 2,-0.3 -5,-0.0 -3,-0.0 -0.223 21.0 155.9 -48.7 131.7 36.8 26.1 39.9 43 60 A K - 0 0 53 3,-0.0 2,-0.3 0, 0.0 3,-0.3 -0.929 41.4-117.0-153.3 155.5 38.8 28.2 37.4 44 61 A S S S+ 0 0 107 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.711 94.5 32.4 -96.8 156.6 37.7 29.3 33.9 45 62 A G S S+ 0 0 62 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.946 78.5 177.1 58.2 56.4 39.7 28.0 31.0 46 63 A I - 0 0 9 -3,-0.3 21,-2.4 21,-0.1 2,-0.5 -0.721 16.8-162.3 -91.0 133.8 40.7 24.6 32.4 47 64 A Q E -KN 19 66C 52 -28,-2.3 -28,-2.5 -2,-0.4 2,-0.5 -0.978 14.0-143.0-106.6 133.7 42.6 22.1 30.3 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.6 -2,-0.5 2,-0.5 -0.794 11.2-160.2 -98.4 132.8 42.5 18.5 31.5 49 66 A R E -KN 17 64C 51 -32,-2.7 -32,-2.0 -2,-0.5 3,-0.3 -0.953 9.6-169.8-121.1 118.5 45.7 16.5 31.2 50 67 A L E +KN 16 63C 3 13,-3.2 13,-2.0 -2,-0.5 -34,-0.1 -0.764 61.7 25.9-112.8 151.5 45.5 12.8 31.3 51 69 A G S S+ 0 0 6 -36,-0.6 10,-0.3 -2,-0.3 2,-0.2 0.766 82.7 157.8 70.8 27.3 48.2 10.1 31.5 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.545 23.4 154.0 -78.4 144.0 50.6 12.4 33.2 53 71 A D S S+ 0 0 13 1,-0.3 2,-0.9 4,-0.3 82,-0.3 0.357 82.0 30.5-115.5 -72.4 53.5 11.4 35.4 54 72 A N S > S- 0 0 30 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.776 71.3-160.8 -84.5 108.7 56.0 14.3 35.1 55 73 A I T 3 S+ 0 0 29 78,-2.1 -1,-0.2 -2,-0.9 79,-0.1 0.596 87.1 56.1 -70.9 -9.2 53.7 17.3 34.6 56 74 A N T 3 S+ 0 0 114 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.501 104.0 48.0-101.9 -4.7 56.8 19.2 33.2 57 75 A V S < S- 0 0 69 -3,-1.2 2,-1.1 76,-0.1 -4,-0.3 -1.000 78.3-123.8-133.0 143.6 57.9 16.9 30.4 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.684 34.3 172.7 -84.3 104.6 56.0 15.3 27.6 59 77 A E - 0 0 95 -2,-1.1 -1,-0.2 -5,-0.2 -7,-0.0 0.514 51.3 -99.3-101.1 -7.2 56.9 11.7 28.1 60 78 A G S S+ 0 0 60 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.133 101.3 75.9 124.3 -17.3 54.5 10.3 25.6 61 79 A N + 0 0 31 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.299 67.3 118.6-103.2 8.3 51.3 8.9 27.1 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.373 43.9-161.3 -70.5 146.8 49.5 12.2 27.7 63 81 A Q E -N 50 0C 35 -13,-2.0 -13,-3.2 -2,-0.1 2,-0.6 -0.996 6.9-159.1-119.8 134.2 46.2 13.4 26.4 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 20.4 166.6-112.6 113.3 45.5 17.1 26.6 65 83 A I E -N 48 0C 20 -17,-2.6 -17,-2.9 -2,-0.6 2,-0.1 -0.989 31.5-123.8-132.6 127.6 41.8 18.0 26.3 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.9 -19,-0.2 26,-0.3 -0.406 27.2-116.5 -64.6 140.9 39.9 21.2 27.0 67 85 A A E -O 90 0C 24 -21,-2.4 23,-0.2 23,-0.2 3,-0.1 -0.581 22.4-168.6 -72.2 139.2 37.1 21.3 29.5 68 86 A S E + 0 0 71 21,-2.8 2,-0.3 1,-0.3 22,-0.1 0.703 69.1 6.8 -94.2 -27.5 33.7 22.3 27.9 69 87 A K E -O 89 0C 60 20,-0.9 20,-2.4 2,-0.0 2,-0.4 -0.988 57.4-156.8-157.3 142.9 31.7 22.8 31.1 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.980 8.0-166.3-125.0 143.4 32.2 22.9 34.8 71 89 A I E -O 87 0C 36 16,-2.8 16,-3.0 -2,-0.4 2,-0.2 -0.922 3.6-161.6-134.2 107.9 29.5 22.3 37.4 72 90 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.593 40.9 -89.8 -84.3 147.0 30.1 23.2 41.0 73 91 A H > - 0 0 21 12,-1.8 3,-1.9 10,-0.3 -1,-0.1 -0.333 34.2-119.8 -61.2 138.7 27.7 21.5 43.4 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.795 109.1 37.9 -49.0 -36.9 24.5 23.5 44.1 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 7,-0.1 0.093 75.9 144.7-108.8 23.7 25.2 23.8 47.8 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.419 32.8-159.9 -60.1 131.0 29.0 24.3 48.0 77 95 A N B >> -P 82 0D 67 5,-1.9 4,-2.1 -2,-0.1 5,-0.5 -0.959 5.1-162.4-118.9 109.3 29.8 26.7 50.8 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.529 86.8 58.4 -75.0 -6.2 33.3 28.1 50.2 79 97 A N T 45S+ 0 0 146 3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.914 123.0 19.4 -81.6 -54.8 33.5 29.2 53.8 80 98 A T T 45S- 0 0 67 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.499 96.5-130.0 -88.9 -6.1 33.1 25.8 55.4 81 99 A L T ><5 + 0 0 34 -4,-2.1 3,-0.8 1,-0.2 2,-0.3 0.706 48.7 161.0 54.8 21.8 34.0 23.7 52.3 82 100 A N B 3 < +P 77 0D 34 -5,-0.5 -5,-1.9 1,-0.2 -1,-0.2 -0.546 66.4 15.6 -61.7 134.1 30.8 21.7 52.8 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-1.9 -7,-0.2 -10,-0.3 0.916 79.6 179.0 61.9 46.7 29.9 19.9 49.6 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.529 32.9 114.5 -83.9 77.4 33.3 20.4 48.0 85 103 A I - 0 0 0 -2,-1.9 -12,-1.8 -47,-0.3 2,-0.3 -0.997 36.1-179.1-148.7 149.0 32.8 18.7 44.7 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.4 -2,-0.3 2,-0.4 -0.992 18.9-137.0-149.8 143.5 32.6 19.7 41.1 87 105 A L E -MO 36 71C 0 -16,-3.0 -16,-2.8 -2,-0.3 2,-0.5 -0.893 15.2-166.7-109.3 139.1 32.1 18.0 37.7 88 106 A I E -MO 35 70C 0 -53,-3.2 -53,-3.1 -2,-0.4 2,-0.4 -0.985 7.5-152.3-129.1 119.7 34.2 18.8 34.7 89 107 A K E -MO 34 69C 41 -20,-2.4 -21,-2.8 -2,-0.5 -20,-0.9 -0.751 15.9-127.5 -96.3 141.0 33.2 17.7 31.2 90 108 A L E - O 0 67C 2 -57,-3.6 -23,-0.2 -2,-0.4 -24,-0.1 -0.614 8.5-135.2 -90.7 142.3 35.7 17.0 28.5 91 109 A K S S+ 0 0 146 -25,-2.9 2,-0.3 -2,-0.3 -1,-0.1 0.760 94.2 12.6 -66.9 -27.7 35.4 18.7 25.1 92 110 A S S S- 0 0 76 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.950 101.7 -90.9-142.1 153.3 36.2 15.5 23.2 93 111 A A - 0 0 53 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.390 37.1-115.8 -70.3 141.9 36.3 12.1 24.8 94 112 A A - 0 0 8 -62,-3.3 2,-0.5 -2,-0.1 -1,-0.1 -0.370 24.1-123.6 -65.2 153.3 39.4 10.6 26.3 95 113 A S - 0 0 70 -2,-0.0 2,-0.3 6,-0.0 5,-0.1 -0.938 27.8-142.4-104.0 126.4 40.8 7.5 24.7 96 114 A L + 0 0 87 -2,-0.5 2,-0.2 3,-0.1 5,-0.2 -0.619 38.0 136.0-100.4 138.9 41.0 4.9 27.4 97 115 A N S S- 0 0 78 3,-2.4 3,-0.2 -2,-0.3 -1,-0.0 -0.813 70.1 -55.0-153.8-160.4 44.0 2.5 27.5 98 116 A S S S+ 0 0 98 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.763 135.1 34.6 -54.9 -29.6 46.4 1.0 29.9 99 117 A R S S+ 0 0 112 1,-0.2 2,-0.5 -38,-0.1 -48,-0.2 0.570 116.4 53.1-111.1 -15.2 47.5 4.3 31.2 100 118 A V S S+ 0 0 0 -3,-0.2 -3,-2.4 -50,-0.1 2,-0.3 -0.974 73.8 149.0-121.8 115.1 44.3 6.3 31.0 101 119 A A - 0 0 29 -88,-2.0 -72,-0.3 -2,-0.5 2,-0.2 -0.970 41.8-111.2-142.9 156.8 41.4 4.7 32.8 102 120 A S - 0 0 54 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.2 -0.479 22.7-140.3 -79.0 156.2 38.2 5.4 34.6 103 121 A I - 0 0 17 -74,-1.9 83,-0.1 -89,-0.2 2,-0.1 -0.960 25.5-113.8-116.7 141.9 37.6 4.8 38.3 104 122 A S B -c 186 0B 70 81,-0.7 83,-2.8 -2,-0.4 -73,-0.1 -0.391 22.2-123.7 -76.1 146.0 34.3 3.4 39.6 105 123 A L - 0 0 44 81,-0.2 2,-0.1 -75,-0.1 83,-0.1 -0.535 38.6 -90.2 -71.3 150.7 31.8 5.3 41.8 106 124 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.360 24.8-173.0 -47.9 131.0 30.7 3.9 45.0 107 125 A T S S+ 0 0 139 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.599 85.5 13.9 -88.8 -21.8 27.7 1.7 45.6 108 127 A S S S- 0 0 86 -3,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.986 86.6 -95.3-150.0 155.0 28.4 2.1 49.4 109 128 A c - 0 0 54 -2,-0.3 2,-0.2 -3,-0.1 79,-0.1 -0.466 39.7-118.8 -71.9 143.7 30.4 4.2 51.9 110 129 A A - 0 0 29 -2,-0.2 2,-0.2 78,-0.1 -1,-0.1 -0.514 30.1-131.2 -75.5 148.1 33.8 2.9 53.0 111 130 A S > - 0 0 82 -2,-0.2 3,-1.8 1,-0.1 31,-0.3 -0.588 33.5 -69.9 -96.9 165.1 34.2 2.3 56.7 112 132 A A T 3 S+ 0 0 63 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.162 115.2 21.8 -59.3 145.1 36.8 3.3 59.2 113 133 A G T 3 S+ 0 0 53 29,-3.4 2,-0.4 1,-0.3 -1,-0.2 0.359 82.3 138.8 59.2 0.8 40.2 1.7 58.9 114 134 A T < - 0 0 35 -3,-1.8 28,-1.2 28,-0.1 2,-0.4 -0.588 58.9-117.2 -52.3 122.6 39.7 0.7 55.3 115 135 A Q E -D 141 0B 102 -2,-0.4 69,-0.6 26,-0.2 2,-0.3 -0.556 37.7-174.7 -75.1 129.0 43.0 1.4 53.6 116 136 A d E -DE 140 183B 3 24,-2.4 24,-1.9 -2,-0.4 2,-0.5 -0.786 22.0-129.3-123.4 163.0 42.9 4.0 50.8 117 137 A L E -DE 139 182B 36 65,-2.3 65,-2.5 -2,-0.3 2,-0.5 -0.962 19.6-169.4-118.5 124.5 45.3 5.4 48.2 118 138 A I E -DE 138 181B 0 20,-2.8 20,-1.5 -2,-0.5 2,-0.3 -0.950 11.8-178.3-119.4 122.4 45.7 9.2 47.9 119 139 A S E +D 137 0B 0 61,-1.2 2,-0.3 -2,-0.5 18,-0.2 -0.828 15.7 110.3-123.4 157.7 47.6 10.6 45.0 120 140 A G E -D 136 0B 0 16,-1.9 16,-2.9 -2,-0.3 56,-0.2 -0.961 62.9 -96.8 163.8-174.9 48.7 13.9 43.6 121 141 A W + 0 0 3 -2,-0.3 55,-0.2 14,-0.2 3,-0.1 0.513 68.7 144.9-110.3 -12.1 51.5 16.3 42.8 122 142 A G - 0 0 0 53,-1.3 53,-0.4 9,-0.1 52,-0.1 0.411 59.4 -66.6 -15.2 143.8 51.2 18.4 46.0 123 143 A N - 0 0 15 51,-0.7 8,-0.2 8,-0.1 52,-0.2 -0.121 41.3-156.0 -33.8 126.4 53.7 20.1 48.2 124 144 A T + 0 0 15 6,-2.4 -121,-0.4 -3,-0.1 2,-0.4 0.344 63.1 72.6 -96.6 7.0 55.9 17.6 49.9 125 145 A K - 0 0 109 3,-0.3 5,-0.2 -123,-0.1 3,-0.1 -0.921 59.2-151.9-123.0 146.2 57.1 19.5 53.0 126 146 A S S S+ 0 0 60 -2,-0.4 2,-0.4 1,-0.2 71,-0.3 0.739 95.2 34.4 -84.8 -26.6 55.2 20.5 56.2 127 147 A S S S+ 0 0 99 69,-0.1 -1,-0.2 2,-0.0 2,-0.0 -0.993 123.1 0.9-125.7 134.8 57.3 23.5 56.9 128 148 A G S S- 0 0 55 -2,-0.4 2,-0.5 -3,-0.1 -3,-0.3 -0.237 89.6 -63.0 74.7-168.2 58.4 25.3 53.7 129 149 A T + 0 0 116 -5,-0.1 2,-0.2 -6,-0.1 -3,-0.1 -0.961 49.5 142.8-133.7 117.9 57.9 24.8 50.0 130 150 A S - 0 0 56 -2,-0.5 -6,-2.4 -5,-0.2 -5,-0.1 -0.718 21.0-166.7-154.4 113.3 58.8 22.1 47.6 131 151 A Y - 0 0 135 -2,-0.2 2,-0.2 -8,-0.2 -8,-0.1 -0.780 12.8-143.6-105.5 136.8 56.8 20.8 44.8 132 152 A P - 0 0 16 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.561 6.8-146.4 -93.9 158.6 57.6 17.6 43.0 133 153 A D S S+ 0 0 70 -2,-0.2 -78,-2.1 2,-0.1 -77,-0.3 0.654 77.6 72.0-100.5 -23.3 57.1 17.2 39.2 134 154 A V S S- 0 0 40 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.691 93.9 -87.8 -98.2 155.1 56.2 13.5 39.5 135 155 A L - 0 0 2 -82,-0.3 -128,-1.9 -2,-0.3 -127,-0.5 -0.295 43.1-156.6 -60.2 131.9 53.1 11.8 40.8 136 156 A K E -BD 6 120B 35 -16,-2.9 -16,-1.9 -130,-0.2 2,-0.3 -0.810 6.8-163.3-112.0 146.2 53.0 10.9 44.5 137 157 A a E -BD 5 119B 2 -132,-2.8 -132,-1.7 -2,-0.3 2,-0.3 -0.813 6.7-174.6-116.3 155.4 51.1 8.4 46.5 138 158 A L E - D 0 118B 5 -20,-1.5 -20,-2.8 -2,-0.3 2,-0.6 -0.943 16.1-146.0-143.0 134.2 50.3 7.8 50.2 139 159 A K E + D 0 117B 106 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.1 -0.886 35.1 154.3 -91.0 119.7 48.6 4.9 51.7 140 160 A A E - D 0 116B 0 -24,-1.9 -24,-2.4 -2,-0.6 2,-0.2 -1.000 37.9-112.4-145.4 152.5 46.3 5.8 54.7 141 161 A P E - D 0 115B 32 0, 0.0 23,-1.9 0, 0.0 2,-0.4 -0.510 31.3-112.4 -77.2 150.9 43.3 4.7 56.7 142 162 A I B -F 163 0B 13 -28,-1.2 -29,-3.4 -31,-0.3 21,-0.3 -0.680 43.5-137.0 -79.7 127.3 39.9 6.4 57.0 143 163 A L - 0 0 27 19,-2.4 19,-0.4 -2,-0.4 -29,-0.1 -0.500 26.8 -87.6 -83.6 160.1 40.0 7.5 60.6 144 164 A S > - 0 0 55 -2,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.301 35.4-114.5 -62.6 152.7 36.9 7.1 62.8 145 165 A D H > S+ 0 0 84 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.888 115.7 56.9 -54.8 -41.1 34.4 10.0 62.8 146 166 A S H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 107.5 44.1 -56.0 -42.4 35.2 10.6 66.4 147 167 A S H > S+ 0 0 18 -3,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.751 115.0 52.2 -88.5 -24.6 38.9 11.2 65.9 148 168 A e H >X S+ 0 0 2 -4,-1.9 4,-1.3 2,-0.2 3,-0.6 0.967 112.0 42.4 -62.3 -59.1 38.1 13.3 62.9 149 169 A K H 3< S+ 0 0 97 -4,-3.3 5,-0.2 1,-0.2 6,-0.2 0.775 108.6 62.2 -68.4 -28.0 35.6 15.6 64.7 150 170 A S H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.827 103.4 46.9 -60.3 -39.1 37.9 15.8 67.7 151 171 A A H << S+ 0 0 6 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.765 121.8 37.2 -70.1 -30.7 40.7 17.4 65.7 152 172 A Y S >X S- 0 0 4 -4,-1.3 3,-2.0 -5,-0.1 4,-0.8 -0.658 85.0-154.2-119.7 79.6 38.4 19.9 64.1 153 173 A P T 34 S- 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.266 77.3 -7.6 -55.7 120.3 35.8 20.9 66.7 154 174 A G T 34 S+ 0 0 91 -5,-0.2 -4,-0.1 2,-0.1 -5,-0.1 0.661 114.9 89.7 67.0 19.9 32.6 22.1 64.9 155 175 A Q T <4 + 0 0 104 -3,-2.0 2,-0.6 -6,-0.2 -1,-0.1 0.594 61.4 86.9-117.0 -19.2 34.0 22.0 61.4 156 176 A I < - 0 0 24 -4,-0.8 2,-0.1 -7,-0.1 -2,-0.1 -0.779 53.8-175.6 -97.3 121.2 33.3 18.5 60.1 157 177 A T > - 0 0 45 -2,-0.6 3,-1.5 4,-0.0 -2,-0.0 -0.408 45.7 -87.8 -97.3 178.1 30.0 17.6 58.5 158 178 A S T 3 S+ 0 0 85 1,-0.2 53,-0.1 -2,-0.1 -2,-0.0 0.635 122.0 62.6 -53.9 -18.6 28.3 14.5 57.2 159 179 A N T 3 S+ 0 0 23 48,-0.1 49,-2.6 51,-0.0 2,-0.3 0.208 96.9 63.9-102.0 14.7 29.9 15.1 53.9 160 180 A M E < - G 0 207B 10 -3,-1.5 2,-0.3 47,-0.3 47,-0.2 -0.963 53.9-174.3-127.7 152.2 33.6 14.9 55.0 161 181 A F E - G 0 206B 20 45,-2.1 45,-2.7 -2,-0.3 2,-0.3 -0.942 20.8-126.7-132.0 165.7 35.8 12.2 56.4 162 182 A e E + G 0 205B 1 -19,-0.4 -19,-2.4 -2,-0.3 2,-0.3 -0.826 24.4 179.9-106.3 149.3 39.3 12.2 57.7 163 183 A A E +FG 142 204B 0 41,-1.7 41,-1.1 -2,-0.3 2,-0.4 -0.984 40.2 43.9-146.3 136.2 42.1 9.9 56.6 164 184AA G S S- 0 0 3 -23,-1.9 2,-0.3 -2,-0.3 7,-0.1 -0.997 89.9 -36.8 143.9-126.5 45.8 9.6 57.6 165 184 A Y - 0 0 65 5,-0.5 37,-0.4 -2,-0.4 3,-0.1 -0.908 28.1-148.0-132.6 152.1 47.5 9.6 61.0 166 185 A L S S+ 0 0 63 -2,-0.3 35,-7.3 1,-0.2 36,-0.3 0.813 95.8 72.0 -86.0 -35.7 46.7 11.6 64.1 167 186 A E S S- 0 0 137 33,-0.3 33,-0.2 1,-0.2 -1,-0.2 0.538 103.5-122.8 -55.9 -20.5 50.4 11.5 64.9 168 187 A G S S+ 0 0 11 31,-0.3 31,-0.2 2,-0.2 -1,-0.2 -0.258 73.0 82.1 98.6 173.7 51.3 14.0 62.1 169 188AA G S S+ 0 0 38 29,-2.8 2,-0.3 28,-0.1 30,-0.1 0.261 76.4 73.1 60.0 11.2 53.8 13.8 59.0 170 188 A K + 0 0 82 29,-0.1 -5,-0.5 -5,-0.1 2,-0.3 -0.938 66.0 109.7-135.2 127.5 52.0 12.0 56.3 171 189 A D B -A 2 0A 1 -169,-2.0 -169,-3.7 -2,-0.3 2,-0.3 -0.972 48.9-133.8-176.7 153.0 49.3 14.0 54.7 172 190 A S + 0 0 1 -2,-0.3 2,-0.3 -171,-0.3 26,-0.2 -0.880 44.7 125.2-120.6 168.4 48.3 15.8 51.5 173 191 A f S S+ 0 0 1 -2,-0.3 -2,-0.1 -50,-0.1 20,-0.1 -0.520 78.3 25.8 151.7 151.7 47.0 18.8 51.4 174 192 A Q S S+ 0 0 85 -2,-0.3 -51,-0.7 1,-0.2 3,-0.1 0.126 108.9 81.9 67.8 -29.8 48.6 21.6 49.2 175 193 A G S S- 0 0 0 -53,-0.4 -53,-1.3 1,-0.2 -1,-0.2 -0.300 115.3 -17.2-148.7 18.1 49.8 18.7 47.4 176 194 A D > - 0 0 8 -55,-0.2 3,-1.7 -56,-0.2 15,-0.3 0.651 53.9-163.9 157.2 90.9 46.7 18.5 45.6 177 195 A S T 3 S+ 0 0 31 1,-0.2 -151,-2.7 -153,-0.2 15,-0.2 -0.293 89.1 28.1 -46.6 145.4 43.2 19.9 46.3 178 196 A G T 3 S+ 0 0 0 13,-2.8 -1,-0.2 1,-0.2 -150,-0.2 0.216 89.8 129.5 95.6 -14.7 40.8 17.9 44.1 179 197 A G < - 0 0 0 -3,-1.7 12,-2.1 1,-0.1 -1,-0.2 -0.217 57.8 -86.5 -79.8 168.8 42.6 14.6 43.8 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.2 0, 0.0 2,-0.4 -0.287 20.9-166.1 -79.5 152.4 41.4 11.1 44.4 181 199 A V E -EH 118 189B 0 8,-1.5 8,-2.0 -63,-0.2 7,-1.9 -0.953 22.9-169.3-129.3 110.8 41.1 8.9 47.5 182 200 A V E -EH 117 187B 16 -65,-2.5 -65,-2.3 -2,-0.4 2,-0.4 -0.904 8.2-177.8-111.4 124.1 40.5 5.4 46.3 183 201 A d E > -EH 116 186B 2 3,-2.4 3,-1.2 -2,-0.5 -67,-0.2 -0.969 66.9 -17.7-126.6 129.7 39.5 2.6 48.6 184 202 A S T 3 S- 0 0 109 -69,-0.6 -1,-0.2 -2,-0.4 -68,-0.1 0.925 129.1 -48.8 42.6 54.0 38.9 -1.1 47.7 185 203 A G T 3 S+ 0 0 44 1,-0.1 -81,-0.7 -3,-0.1 2,-0.4 0.420 118.6 92.0 83.3 0.7 38.6 -0.1 44.0 186 204 A K E < S-cH 104 183B 84 -3,-1.2 -3,-2.4 -83,-0.1 2,-0.9 -0.945 80.4-105.0-140.0 139.0 36.1 2.7 44.2 187 209 A L E + H 0 182B 0 -83,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.624 44.4 161.1 -67.5 104.9 36.4 6.5 44.5 188 210 A Q E + 0 0 13 -7,-1.9 21,-1.6 -2,-0.9 22,-0.5 0.616 55.3 21.7-102.3 -16.6 35.5 7.4 48.1 189 211 A G E -IH 208 181B 0 -8,-2.0 -8,-1.5 19,-0.2 2,-0.4 -0.955 45.8-147.8-151.8-180.0 37.0 10.8 48.3 190 212 A I E -IH 207 180B 0 17,-0.6 17,-2.4 -2,-0.3 2,-0.4 -0.999 42.1-109.5-141.0 130.9 38.4 14.1 47.0 191 213 A V E +I 206 0B 5 -12,-2.1 -13,-2.8 -2,-0.4 15,-0.2 -0.498 51.6 158.2 -63.3 117.2 41.2 16.0 48.8 192 214 A S E - 0 0 7 13,-1.9 2,-0.2 -2,-0.4 14,-0.2 0.831 48.2 -39.3-107.7 -65.8 39.4 19.0 50.2 193 215 A W E +I 205 0B 41 12,-1.5 12,-3.0 -20,-0.1 -1,-0.4 -0.856 41.3 176.1-149.8-169.1 41.2 20.7 53.1 194 216 A G - 0 0 9 -2,-0.2 10,-0.1 10,-0.2 2,-0.1 -0.462 42.0 -98.9 160.3 125.2 43.3 20.2 56.3 195 217 A S S > S- 0 0 70 8,-0.3 4,-0.5 -2,-0.2 -2,-0.0 -0.352 90.6 -27.2 -60.9 130.5 45.0 22.7 58.7 196 219 A G T 4 S- 0 0 45 -2,-0.1 2,-0.4 2,-0.1 -69,-0.1 -0.185 98.2 -79.0 52.0-156.8 48.7 23.0 57.9 197 220 A f T 4 S- 0 0 12 -71,-0.3 -28,-0.1 -23,-0.0 -24,-0.1 -0.987 99.8 -11.4-134.0 136.1 49.9 19.8 56.2 198 221AA A T 4 S+ 0 0 8 -2,-0.4 -29,-2.8 -26,-0.2 2,-0.2 0.689 81.7 159.1 42.6 40.4 50.7 16.7 58.5 199 221 A Q >< - 0 0 79 -4,-0.5 3,-1.4 3,-0.5 -31,-0.3 -0.512 55.3 -85.2 -73.9 155.8 50.5 18.3 61.9 200 222 A K T 3 S+ 0 0 154 1,-0.3 -33,-0.3 -33,-0.2 -1,-0.1 -0.483 117.6 6.5 -58.7 128.2 50.0 16.1 64.9 201 223 A N T 3 S+ 0 0 67 -35,-7.3 -1,-0.3 -2,-0.2 -35,-0.1 0.926 104.6 106.8 57.0 46.0 46.3 15.7 65.3 202 224 A K < + 0 0 62 -3,-1.4 -3,-0.5 -37,-0.4 -4,-0.2 -0.599 49.3 179.7-146.0 82.3 45.5 17.5 62.0 203 225 A P - 0 0 1 0, 0.0 -8,-0.3 0, 0.0 2,-0.2 -0.327 36.4 -94.3 -68.7 161.0 44.5 14.7 59.6 204 226 A G E -G 163 0B 0 -41,-1.1 -41,-1.7 -10,-0.1 2,-0.4 -0.540 37.0-135.8 -67.9 145.7 43.6 15.5 56.1 205 227 A V E -GI 162 193B 0 -12,-3.0 -13,-1.9 -43,-0.2 -12,-1.5 -0.913 21.1-169.9-114.8 142.6 39.9 16.1 55.3 206 228 A Y E -GI 161 191B 3 -45,-2.7 -45,-2.1 -2,-0.4 2,-0.3 -0.929 28.9-105.2-136.4 140.4 38.1 14.6 52.3 207 229 A T E -GI 160 190B 2 -17,-2.4 2,-1.4 -2,-0.4 -17,-0.6 -0.519 34.5-128.3 -65.0 130.6 34.8 15.0 50.5 208 230 A K E > - I 0 189B 63 -49,-2.6 3,-1.5 -2,-0.3 4,-0.2 -0.680 27.7-175.2 -89.3 94.4 32.6 11.9 51.2 209 231 A V G > S+ 0 0 0 -21,-1.6 3,-2.2 -2,-1.4 4,-0.3 0.773 71.2 75.3 -70.5 -28.8 31.8 11.0 47.6 210 232 A c G > S+ 0 0 21 -22,-0.5 3,-0.6 1,-0.3 -1,-0.3 0.765 90.8 58.3 -45.9 -32.4 29.4 8.2 48.6 211 233 A N G < S+ 0 0 72 -3,-1.5 -1,-0.3 1,-0.2 4,-0.2 0.589 108.1 47.6 -73.4 -11.9 26.9 10.9 49.6 212 234 A Y G <> S+ 0 0 8 -3,-2.2 4,-2.5 -4,-0.2 5,-0.2 0.294 71.9 103.4-116.4 8.9 26.9 12.3 46.0 213 235 A V H <> S+ 0 0 22 -3,-0.6 4,-2.3 -4,-0.3 5,-0.2 0.847 82.1 54.6 -66.1 -35.7 26.6 9.4 43.6 214 236 A S H > S+ 0 0 94 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.919 113.3 42.3 -64.8 -46.1 22.9 10.1 42.9 215 237 A W H > S+ 0 0 50 2,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.832 112.5 52.1 -64.1 -38.3 23.8 13.7 41.9 216 238 A I H X S+ 0 0 2 -4,-2.5 4,-1.6 2,-0.2 5,-0.2 0.938 113.4 45.1 -62.8 -47.9 26.9 12.8 39.9 217 239 A K H X S+ 0 0 103 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.813 116.3 44.9 -69.2 -33.1 25.0 10.3 37.9 218 240 A Q H X S+ 0 0 116 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.869 115.3 47.2 -72.0 -40.2 22.0 12.5 37.3 219 241 A T H < S+ 0 0 14 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.820 111.8 49.3 -71.5 -30.9 24.1 15.6 36.4 220 242 A I H >< S+ 0 0 27 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.847 109.9 51.6 -88.5 -35.0 26.3 13.8 34.0 221 243 A A H 3< S+ 0 0 80 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.752 111.6 47.6 -71.3 -28.2 23.4 12.2 32.2 222 244 A S T 3< 0 0 72 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.343 360.0 360.0 -84.8 4.2 21.7 15.5 31.7 223 245 A N < 0 0 90 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.367 360.0 360.0-131.5 360.0 24.7 17.5 30.4