==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-01 1K1J . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9064.0 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 . 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 7.6 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 . 0 0.0 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,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.5 -3.6 9.0 10.9 2 17 A V B +A 171 0A 8 169,-3.2 169,-1.9 1,-0.2 123,-0.1 -0.902 360.0 6.6-103.6 131.3 -7.3 10.1 11.2 3 18 A G S S+ 0 0 45 -2,-0.5 -1,-0.2 121,-0.5 2,-0.1 0.719 103.1 121.9 72.6 20.9 -8.4 13.1 9.1 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.162 54.3-121.9 -98.0-160.7 -5.1 13.3 7.3 5 20 A Y E -B 137 0B 94 132,-2.6 132,-3.5 -3,-0.1 2,-0.4 -0.947 34.6 -83.2-143.7 158.2 -4.1 13.1 3.6 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.517 38.0-152.2 -64.1 118.8 -1.8 11.0 1.4 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.938 36.5-111.8 -57.9 -53.1 1.6 12.5 1.8 8 23 A G > - 0 0 25 127,-0.4 3,-2.1 -3,-0.1 4,-0.3 -0.083 47.2 -56.1 120.8 136.8 3.0 11.5 -1.6 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.158 119.5 -11.6 -47.4 122.6 5.7 8.9 -2.3 10 25 A N T 3 S+ 0 0 35 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.646 90.8 128.1 59.1 24.0 8.9 9.8 -0.4 11 26 A T S < S+ 0 0 83 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.618 76.2 47.2 -81.5 -12.1 7.8 13.3 0.6 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.691 73.3 174.6-127.2 73.0 8.7 12.5 4.3 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.594 73.4 57.2 -58.0 -17.4 12.2 10.9 3.7 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.483 79.6 113.4 -94.7 -4.7 12.9 10.6 7.4 15 30 A Q E < -J 28 0C 4 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.515 48.9-166.2 -72.4 132.2 9.8 8.4 8.1 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.892 14.6-145.3-121.2 148.1 10.6 4.9 9.2 17 32 A S E -JK 26 49C 0 32,-1.9 32,-2.8 -2,-0.3 2,-0.6 -0.970 12.7-145.5-113.6 123.0 8.4 1.8 9.4 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.4 -2,-0.5 7,-1.0 -0.838 26.9-168.4 -89.5 120.3 9.2 -0.7 12.2 19 34 A N E +JK 23 47C 17 28,-3.3 28,-2.8 -2,-0.6 4,-0.2 -0.921 34.9 162.1-121.1 139.8 8.5 -4.1 10.9 20 37 A S S S- 0 0 34 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.309 97.0 -47.8-141.5 48.3 8.2 -7.6 12.4 21 38 A G S S+ 0 0 74 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.414 139.6 29.2 95.9 -0.2 6.3 -9.4 9.7 22 39 A Y S S- 0 0 126 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.908 101.2 -84.1-176.2 159.8 3.9 -6.4 9.6 23 40 A H E +J 19 0C 27 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.688 48.2 160.0 -79.7 127.0 4.2 -2.7 10.4 24 41 A F E + 0 0 29 -6,-2.4 2,-0.3 -2,-0.4 151,-0.3 0.567 60.3 1.3-122.6 -15.7 3.7 -2.0 14.1 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.980 61.7-123.1-164.2 165.7 5.2 1.5 14.7 26 43 A G E +J 17 0C 0 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.479 25.6 179.8-107.0-177.4 6.9 4.4 13.0 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.966 23.5-115.8-170.4 173.7 10.2 6.1 13.6 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.994 18.8-132.3-131.7 130.1 12.5 8.9 12.5 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.696 26.7 173.9 -78.1 117.8 15.9 8.6 10.9 30 47 A I E - 0 0 19 4,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.526 69.4 -8.4-102.0 -12.1 18.1 11.1 12.8 31 48 A N E > S- L 0 34C 48 3,-1.1 3,-1.2 70,-0.1 -1,-0.4 -0.931 91.3 -76.5-169.4 169.5 21.3 10.0 11.1 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-3.6 1,-0.3 60,-0.1 0.640 128.4 24.5 -53.6 -16.2 22.5 7.2 8.8 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.383 109.3 74.3-133.4 6.8 22.6 4.7 11.6 34 51 A W E < -LM 31 89C 10 -3,-1.2 -4,-2.5 55,-0.2 -3,-1.1 -0.980 48.4-171.7-132.6 134.5 20.1 5.8 14.3 35 52 A V E -LM 29 88C 0 53,-2.8 53,-3.2 -2,-0.4 2,-0.4 -0.934 12.6-149.0-119.8 137.4 16.4 5.8 14.5 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.907 32.4 146.2-107.7 135.0 14.3 7.5 17.2 37 54 A S E - M 0 86C 0 49,-3.0 49,-2.7 -2,-0.4 2,-0.3 -0.771 50.1 -65.3-147.1-167.9 11.0 6.0 18.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.743 32.6-134.6 -93.7 142.0 8.7 5.4 21.1 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.815 105.6 64.0 -63.6 -29.2 9.8 3.2 24.0 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.532 92.3 65.2 -73.9 -2.7 6.4 1.6 24.0 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.457 74.3 135.8 -93.9 -4.1 7.2 0.3 20.5 42 59 A Y < + 0 0 126 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.187 19.7 146.3 -52.0 133.1 10.0 -1.9 21.9 43 60 A K - 0 0 52 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.964 44.7-115.4-163.1 148.8 10.1 -5.4 20.5 44 61 A S S S+ 0 0 94 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.541 94.5 38.6 -87.1 161.4 12.9 -7.8 19.7 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.956 78.9 170.4 64.4 52.0 13.5 -8.9 16.1 46 63 A I - 0 0 11 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.818 21.8-162.2-100.4 131.4 12.8 -5.5 14.6 47 64 A Q E -KN 19 66C 50 -28,-2.8 -28,-3.3 -2,-0.4 2,-0.5 -0.958 14.5-142.7-111.2 127.4 13.5 -4.7 10.9 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.7 -2,-0.5 2,-0.6 -0.823 12.3-158.2 -92.5 126.0 13.7 -1.0 10.1 49 66 A R E -KN 17 64C 49 -32,-2.8 -32,-1.9 -2,-0.5 3,-0.3 -0.932 11.5-173.5-112.8 112.6 12.2 -0.1 6.7 50 67 A L E + N 0 63C 0 13,-2.7 13,-1.5 -2,-0.6 -34,-0.1 -0.601 61.4 28.5 -99.4 160.2 13.3 3.1 5.0 51 69 A G S S+ 0 0 7 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.826 84.7 158.6 60.5 36.3 12.1 4.9 1.9 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.578 22.8 146.7 -95.2 151.1 8.7 3.4 2.2 53 71 A D S S+ 0 0 18 1,-0.3 2,-0.9 4,-0.2 -1,-0.1 0.180 80.9 32.6-137.3 -80.8 5.4 4.6 0.8 54 72 A N S > S- 0 0 24 80,-0.2 3,-0.6 1,-0.2 -1,-0.3 -0.735 72.6-164.3 -84.8 110.3 3.2 1.6 0.1 55 73 A I T 3 S+ 0 0 30 78,-2.6 -1,-0.2 -2,-0.9 79,-0.1 0.650 83.5 52.1 -71.6 -14.6 4.3 -0.7 2.8 56 74 A N T 3 S+ 0 0 117 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.600 104.8 59.0 -96.6 -13.7 2.8 -3.8 1.1 57 75 A V S < S- 0 0 74 -3,-0.6 2,-0.9 76,-0.2 -4,-0.2 -0.938 76.6-131.4-119.4 139.0 4.4 -3.4 -2.3 58 76 A V + 0 0 117 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.801 38.8 160.9 -86.1 111.8 8.1 -3.3 -3.2 59 77 A E - 0 0 100 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.504 54.0 -94.8-108.9 -11.8 8.2 -0.2 -5.4 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.219 99.8 71.3 108.3 157.3 11.9 0.6 -5.3 61 79 A N S S+ 0 0 74 1,-0.3 2,-0.1 -2,-0.1 -9,-0.0 0.257 70.3 131.3 82.1 -7.6 13.7 3.0 -3.0 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.387 38.6-166.9 -76.6 153.5 13.2 0.7 0.0 63 81 A Q E -N 50 0C 36 -13,-1.5 -13,-2.7 -3,-0.1 2,-0.7 -0.960 4.4-161.0-141.9 114.6 16.0 -0.2 2.4 64 82 A F E +N 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.916 19.6 169.2-100.3 115.1 15.4 -3.1 4.8 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-3.4 -2,-0.7 2,-0.2 -0.991 29.1-128.3-129.6 133.2 17.9 -2.9 7.7 66 84 A S E -N 47 0C 54 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.497 26.8-113.3 -77.6 150.8 17.8 -5.0 10.9 67 85 A A E -O 90 0C 20 -21,-2.3 23,-0.2 23,-0.2 3,-0.1 -0.669 21.5-166.4 -81.5 137.4 18.1 -3.3 14.2 68 86 A S E S- 0 0 54 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.759 74.1 -2.7 -93.0 -30.7 21.3 -4.2 16.0 69 87 A K E -O 89 0C 85 20,-1.1 20,-3.0 2,-0.0 2,-0.5 -0.968 56.2-150.9-161.9 140.8 20.1 -2.7 19.3 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.980 14.0-159.4-117.2 118.3 17.1 -0.9 20.7 71 89 A I E -O 87 0C 32 16,-3.5 16,-2.5 -2,-0.5 2,-0.3 -0.859 6.5-162.1-103.4 100.4 17.8 1.4 23.7 72 90 A V E -O 86 0C 47 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.607 38.5 -93.0 -79.5 140.4 14.7 2.1 25.6 73 91 A H > - 0 0 23 12,-2.0 3,-2.4 10,-0.3 -1,-0.1 -0.388 33.0-131.6 -56.4 126.3 14.9 5.2 27.9 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.750 105.2 46.3 -50.5 -31.4 16.1 3.9 31.3 75 93 A S T 3 S+ 0 0 77 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.171 79.3 137.7-101.7 17.5 13.3 5.9 33.1 76 94 A Y < - 0 0 55 -3,-2.4 2,-0.6 9,-0.1 7,-0.2 -0.429 39.8-155.5 -64.8 132.5 10.5 4.9 30.8 77 95 A N > - 0 0 67 5,-2.2 4,-2.6 -2,-0.1 5,-0.5 -0.947 7.2-159.2-114.8 113.3 7.3 4.2 32.7 78 96 A S T 4 S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.620 90.0 50.3 -66.3 -14.5 4.9 1.9 30.9 79 97 A N T 4 S+ 0 0 148 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.903 124.1 25.1 -88.0 -48.6 1.9 3.0 32.9 80 98 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.657 95.8-135.4 -86.6 -21.0 2.2 6.7 32.6 81 99 A L >< + 0 0 33 -4,-2.6 3,-0.8 1,-0.3 2,-0.2 0.671 47.8 158.8 69.2 20.0 4.1 6.5 29.3 82 100 A N T 3 + 0 0 33 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.526 63.4 19.7 -73.7 142.7 6.5 9.1 30.7 83 101 A N T 3 S+ 0 0 20 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.892 79.8 174.7 63.1 42.5 9.9 9.1 28.9 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.503 31.6 117.0 -81.9 74.8 8.3 7.3 26.0 85 103 A I - 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.999 37.5-177.6-145.6 139.0 11.4 7.4 23.8 86 104 A M E -MO 37 72C 0 -49,-2.7 -49,-3.0 -2,-0.3 2,-0.4 -0.997 15.2-146.5-140.1 141.2 13.6 4.7 22.3 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.5 -2,-0.3 2,-0.5 -0.901 12.9-162.4-107.8 136.0 16.8 4.8 20.1 88 106 A I E -MO 35 70C 0 -53,-3.2 -53,-2.8 -2,-0.4 2,-0.5 -0.982 6.2-150.8-121.3 128.8 17.4 2.1 17.6 89 107 A K E -MO 34 69C 48 -20,-3.0 -21,-3.1 -2,-0.5 -20,-1.1 -0.864 18.7-130.2 -98.9 132.8 20.8 1.4 16.1 90 108 A L E - O 0 67C 0 -57,-2.7 -23,-0.2 -2,-0.5 -24,-0.0 -0.599 8.3-133.7 -81.6 142.1 20.8 0.1 12.5 91 109 A K S S+ 0 0 122 -25,-2.9 2,-0.3 -2,-0.3 -1,-0.1 0.864 95.9 18.9 -60.7 -34.9 23.0 -3.0 11.8 92 110 A S S S- 0 0 68 -26,-0.3 2,-0.3 -60,-0.1 -24,-0.1 -0.888 96.1 -95.9-131.9 159.1 24.2 -1.1 8.7 93 111 A A - 0 0 57 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.581 42.9-117.2 -77.7 137.7 24.2 2.5 7.8 94 112 A A - 0 0 7 -62,-3.6 2,-1.1 -2,-0.3 -1,-0.1 -0.447 24.4-112.8 -72.2 149.4 21.3 3.6 5.6 95 113 A S - 0 0 73 -2,-0.1 2,-0.2 6,-0.0 -1,-0.1 -0.762 36.6-148.1 -85.8 98.7 22.1 4.9 2.1 96 114 A L + 0 0 78 -2,-1.1 2,-0.2 3,-0.1 5,-0.2 -0.539 38.5 129.3 -72.7 136.1 21.0 8.5 2.5 97 115 A N S S- 0 0 65 3,-2.7 3,-0.3 -2,-0.2 -1,-0.0 -0.779 72.4 -54.5-159.3-159.2 19.7 10.1 -0.7 98 116 A S S S+ 0 0 98 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.842 134.6 35.6 -65.1 -35.5 16.7 12.1 -1.9 99 117 A R S S+ 0 0 95 1,-0.2 2,-0.4 -87,-0.1 -48,-0.2 0.484 119.6 48.6 -99.0 -5.5 14.1 9.6 -0.7 100 118 A V S S+ 0 0 0 -3,-0.3 -3,-2.7 -50,-0.1 2,-0.3 -0.903 74.5 145.6-136.3 102.9 15.9 8.5 2.5 101 119 A A - 0 0 31 -88,-1.2 -72,-0.3 -2,-0.4 2,-0.2 -0.926 41.8-112.3-137.4 162.9 17.1 11.4 4.7 102 120 A S - 0 0 54 -2,-0.3 2,-0.3 -72,-0.1 -72,-0.3 -0.541 22.7-133.0 -94.8 159.7 17.5 12.3 8.3 103 121 A I - 0 0 18 -74,-2.2 2,-0.2 -2,-0.2 83,-0.1 -0.848 25.3-111.7-111.6 147.4 15.7 14.9 10.3 104 122 A S B -c 186 0B 63 81,-0.8 83,-2.9 -2,-0.3 -73,-0.1 -0.560 22.0-123.4 -82.4 144.0 17.3 17.4 12.7 105 123 A L - 0 0 34 -2,-0.2 83,-0.1 81,-0.2 -1,-0.1 -0.568 39.2-102.5 -79.7 144.6 17.0 17.4 16.4 106 124 A P - 0 0 1 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.311 17.6-156.2 -69.0 153.1 15.6 20.7 17.9 107 125 A T S S+ 0 0 133 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.499 83.8 12.6-102.6 -9.8 17.9 23.2 19.5 108 127 A S S S- 0 0 78 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.959 92.7 -88.4-157.7 161.1 15.0 24.6 21.5 109 128 A c - 0 0 61 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.450 41.6-115.4 -77.8 150.2 11.5 23.6 22.3 110 129 A A - 0 0 28 -2,-0.1 2,-0.2 78,-0.1 -1,-0.1 -0.599 30.2-127.9 -83.9 148.4 8.6 24.6 20.0 111 130 A S > - 0 0 85 -2,-0.2 3,-1.8 1,-0.2 31,-0.3 -0.493 33.3 -79.2 -95.3 163.4 5.9 26.9 21.4 112 132 A A T 3 S+ 0 0 59 1,-0.2 31,-0.2 -2,-0.2 -1,-0.2 -0.255 117.1 34.3 -55.4 146.1 2.1 26.6 21.4 113 133 A G T 3 S+ 0 0 51 29,-3.4 -1,-0.2 1,-0.3 30,-0.1 0.016 81.5 136.6 95.3 -29.5 0.6 27.4 18.0 114 134 A T < - 0 0 33 -3,-1.8 28,-2.2 27,-0.1 2,-0.4 -0.297 53.1-131.6 -56.4 129.7 3.5 26.0 16.1 115 135 A Q E -D 141 0B 103 26,-0.2 69,-0.5 -3,-0.1 2,-0.3 -0.737 30.9-179.2 -87.8 131.5 2.3 24.0 13.1 116 136 A d E -D 140 0B 5 24,-2.7 24,-2.5 -2,-0.4 2,-0.5 -0.839 26.5-122.0-128.8 164.3 3.9 20.6 12.7 117 137 A L E -DE 139 182B 38 65,-2.6 65,-2.4 -2,-0.3 2,-0.4 -0.948 24.5-170.4-111.7 123.6 3.6 17.6 10.3 118 138 A I E +DE 138 181B 0 20,-3.4 20,-2.1 -2,-0.5 2,-0.3 -0.893 12.2 175.8-111.5 141.1 2.7 14.2 11.8 119 139 A S E +D 137 0B 0 61,-1.0 2,-0.3 -2,-0.4 18,-0.2 -0.978 11.0 118.4-147.1 159.0 2.9 11.1 9.7 120 140 A G E -D 136 0B 0 16,-1.8 16,-1.8 -2,-0.3 56,-0.2 -0.934 58.7 -99.9 165.1 174.9 2.5 7.3 9.8 121 141 A W S S+ 0 0 1 54,-0.5 55,-0.2 -2,-0.3 3,-0.1 0.024 73.8 128.2-108.1 23.6 0.8 4.1 8.6 122 142 A G - 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.079 69.6 -50.4 -74.4-179.9 -1.5 3.8 11.6 123 143 A N - 0 0 2 51,-2.9 8,-0.2 8,-0.1 -1,-0.2 -0.120 40.5-162.0 -51.6 136.0 -5.2 3.4 11.9 124 144 A T + 0 0 39 6,-2.6 -121,-0.5 -3,-0.1 2,-0.4 0.397 65.0 80.7-102.7 -0.3 -7.3 5.9 9.9 125 145 A K - 0 0 103 5,-0.3 3,-0.3 3,-0.2 5,-0.1 -0.902 55.7-161.8-115.3 137.3 -10.6 5.4 11.7 126 146 A S S S+ 0 0 48 -2,-0.4 2,-0.6 1,-0.3 71,-0.3 0.868 97.6 35.1 -75.8 -41.2 -11.7 6.9 15.0 127 147 A S S S- 0 0 106 69,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.901 128.3 -1.8-116.9 95.1 -14.4 4.2 15.4 128 148 A G S S- 0 0 46 -2,-0.6 2,-0.4 -3,-0.3 -3,-0.2 -0.761 87.7 -71.6 124.6-166.4 -13.1 1.0 13.9 129 149 A T + 0 0 90 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.981 45.7 153.2-139.7 122.9 -9.9 -0.1 12.2 130 150 A S - 0 0 47 -2,-0.4 -6,-2.6 -5,-0.1 -5,-0.3 -0.896 21.2-161.8-149.9 113.2 -8.6 0.7 8.8 131 151 A Y - 0 0 120 -2,-0.3 -8,-0.1 -8,-0.2 -9,-0.1 -0.849 15.8-132.6-102.0 133.3 -4.9 0.7 7.9 132 152 A P - 0 0 17 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.392 5.7-145.1 -80.8 158.6 -3.5 2.4 4.8 133 153 A D S S+ 0 0 86 -2,-0.1 -78,-2.6 -79,-0.1 -77,-0.3 0.828 86.5 48.9 -85.5 -42.3 -1.1 1.0 2.3 134 154 A V S S- 0 0 37 -80,-0.3 -80,-0.2 -79,-0.1 2,-0.1 -0.612 101.3 -83.0-100.9 161.7 0.5 4.4 1.7 135 155 A L - 0 0 4 -2,-0.2 -128,-2.0 -129,-0.1 -127,-0.4 -0.372 40.6-150.7 -65.9 132.1 1.9 7.0 4.2 136 156 A K E -BD 6 120B 44 -16,-1.8 -16,-1.8 -130,-0.2 2,-0.3 -0.839 8.5-158.6-107.6 143.9 -0.7 9.5 5.6 137 157 A a E -BD 5 119B 2 -132,-3.5 -132,-2.6 -2,-0.4 2,-0.3 -0.850 9.4-176.1-121.1 154.5 0.1 13.0 6.7 138 158 A L E - D 0 118B 2 -20,-2.1 -20,-3.4 -2,-0.3 2,-0.5 -0.966 16.1-147.9-152.5 128.4 -1.5 15.5 9.1 139 159 A K E + D 0 117B 117 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.878 31.7 163.8 -97.5 129.3 -0.7 19.1 9.9 140 160 A A E - D 0 116B 0 -24,-2.5 -24,-2.7 -2,-0.5 2,-0.2 -0.997 32.0-122.2-148.6 143.8 -1.5 20.0 13.4 141 161 A P E - D 0 115B 24 0, 0.0 23,-2.0 0, 0.0 2,-0.4 -0.535 29.5-110.0 -86.4 154.7 -0.6 22.8 15.9 142 162 A I B -F 163 0B 11 -28,-2.2 -29,-3.4 -31,-0.3 21,-0.3 -0.692 39.4-136.1 -80.0 130.5 1.1 22.3 19.2 143 163 A L - 0 0 29 19,-2.7 19,-0.3 -2,-0.4 2,-0.1 -0.439 21.9 -93.7 -86.8 164.6 -1.5 23.2 22.0 144 164 A S > - 0 0 39 -2,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.444 31.2-120.7 -72.9 152.3 -0.9 25.2 25.1 145 165 A D H > S+ 0 0 71 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.875 112.7 58.1 -64.2 -32.6 0.0 23.3 28.2 146 166 A S H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.940 110.3 42.4 -62.6 -44.6 -3.0 24.7 30.0 147 167 A S H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 114.8 52.0 -66.4 -42.0 -5.3 23.2 27.4 148 168 A e H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.952 112.6 43.2 -58.1 -53.1 -3.3 20.0 27.3 149 169 A K H < S+ 0 0 111 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.752 110.6 56.7 -66.7 -26.8 -3.5 19.5 31.1 150 170 A S H < S+ 0 0 95 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.852 109.5 46.1 -70.9 -34.9 -7.2 20.5 31.1 151 171 A A H < S+ 0 0 12 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.842 127.7 26.8 -73.6 -36.6 -7.8 17.6 28.6 152 172 A Y S >X S- 0 0 2 -4,-2.0 3,-2.0 -5,-0.2 4,-0.9 -0.589 82.0-159.7-129.9 72.9 -5.7 15.1 30.6 153 173 A P T 34 S- 0 0 86 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.246 78.1 -3.3 -55.6 127.9 -5.7 16.1 34.3 154 174 A G T 34 S+ 0 0 91 2,-0.1 -5,-0.1 -5,-0.1 -4,-0.1 0.490 116.7 86.3 67.6 6.6 -2.8 14.5 36.2 155 175 A Q T <4 + 0 0 91 -3,-2.0 2,-0.5 -6,-0.2 -1,-0.1 0.591 64.6 89.1-110.2 -15.5 -1.5 12.6 33.1 156 176 A I < - 0 0 21 -4,-0.9 2,-0.2 -7,-0.1 -2,-0.1 -0.747 55.0-171.3 -91.4 124.5 0.7 15.2 31.5 157 177 A T > - 0 0 42 -2,-0.5 3,-1.5 -77,-0.1 -2,-0.1 -0.554 43.0 -99.7-103.9 173.2 4.3 15.4 32.5 158 178 A S T 3 S+ 0 0 91 1,-0.3 53,-0.1 -2,-0.2 -1,-0.0 0.616 122.3 63.6 -68.5 -9.4 6.9 18.0 31.5 159 179 A N T 3 S+ 0 0 27 48,-0.0 49,-2.3 51,-0.0 2,-0.3 0.119 97.2 69.4-101.2 21.2 8.1 15.5 28.9 160 180 A M E < - G 0 207B 5 -3,-1.5 2,-0.3 47,-0.3 47,-0.2 -0.959 54.2-177.5-138.8 151.1 4.8 15.6 27.0 161 181 A F E - G 0 206B 9 45,-1.8 45,-3.2 -2,-0.3 2,-0.3 -0.975 23.6-123.8-146.3 151.1 2.9 18.1 24.9 162 182 A e E + G 0 205B 0 -2,-0.3 -19,-2.7 -19,-0.3 2,-0.3 -0.769 27.8 174.1 -97.0 146.7 -0.4 18.0 23.1 163 183 A A E +FG 142 204B 0 41,-1.9 41,-1.5 -2,-0.3 2,-0.3 -0.982 37.1 51.7-149.6 139.2 -0.9 18.6 19.4 164 184 A G S S- 0 0 3 -23,-2.0 2,-0.4 -2,-0.3 7,-0.1 -0.963 83.5 -42.5 140.7-152.3 -4.0 18.3 17.4 165 184AA Y > - 0 0 42 5,-0.8 3,-1.5 -2,-0.3 5,-0.3 -0.982 25.6-156.4-129.5 122.7 -7.6 19.5 17.3 166 185 A L T 3 S+ 0 0 62 -2,-0.4 35,-3.1 1,-0.3 36,-0.2 0.736 95.2 66.2 -67.0 -23.0 -9.9 19.7 20.2 167 186 A E T 3 S- 0 0 118 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.651 104.5-138.4 -73.8 -10.9 -12.9 19.5 17.9 168 187 A G S < S+ 0 0 13 -3,-1.5 31,-0.2 31,-0.3 -1,-0.2 -0.221 70.1 100.2 80.9-179.7 -11.8 16.0 17.1 169 188 A G S S+ 0 0 38 29,-2.4 2,-0.4 28,-0.1 30,-0.1 0.256 78.7 69.1 87.4 -13.8 -11.7 14.2 13.7 170 188AA K + 0 0 73 -5,-0.3 -5,-0.8 29,-0.1 2,-0.3 -0.936 64.5 111.1-141.0 115.9 -8.0 14.8 13.1 171 189 A D B -A 2 0A 4 -169,-1.9 -169,-3.2 -2,-0.4 2,-0.2 -0.980 62.7 -92.0-171.4 166.4 -5.3 12.9 15.1 172 190 A S - 0 0 8 -2,-0.3 26,-0.4 -171,-0.2 2,-0.2 -0.509 47.9-175.9 -82.1 167.7 -2.6 10.3 15.1 173 191 A f > - 0 0 10 -2,-0.2 3,-2.2 24,-0.1 4,-0.4 -0.837 35.5 -36.3-152.2-174.7 -3.7 6.8 16.1 174 192 A Q T 3 S+ 0 0 111 1,-0.3 -51,-2.9 -2,-0.2 -1,-0.1 -0.225 124.7 29.6 -52.5 139.5 -2.5 3.2 16.8 175 193 A G T 3 S+ 0 0 14 -151,-0.3 -54,-0.5 -53,-0.3 -1,-0.3 0.162 103.6 81.6 94.2 -20.5 0.3 2.2 14.5 176 194 A D X + 0 0 0 -3,-2.2 3,-2.4 -56,-0.2 15,-0.3 0.675 63.8 122.3 -87.2 -21.2 1.4 5.8 14.3 177 195 A S T 3 S+ 0 0 16 -4,-0.4 -151,-3.1 1,-0.3 15,-0.2 -0.022 72.1 24.7 -44.4 138.5 3.3 5.4 17.6 178 196 A G T 3 S+ 0 0 0 13,-2.8 -1,-0.3 1,-0.3 -150,-0.1 0.074 96.8 131.3 90.3 -23.5 7.0 6.2 17.4 179 197 A G < - 0 0 0 -3,-2.4 12,-2.7 11,-0.1 -1,-0.3 -0.069 59.5 -90.3 -61.2 163.3 6.3 8.4 14.4 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.0 0, 0.0 2,-0.4 -0.312 20.4-165.0 -79.9 151.3 7.6 11.9 13.8 181 199 A V E -EH 118 189B 0 8,-1.4 7,-2.0 -63,-0.2 8,-2.0 -0.937 23.7-169.7-131.4 98.3 6.2 15.3 14.7 182 200 A V E -EH 117 187B 13 -65,-2.4 -65,-2.6 -2,-0.4 2,-0.5 -0.878 10.1-178.7-101.9 127.5 8.2 17.8 12.7 183 201 A d E > S- H 0 186B 2 3,-3.0 3,-1.9 -2,-0.5 -67,-0.2 -0.993 72.5 -16.2-127.4 122.1 8.0 21.5 13.2 184 202 A S T 3 S- 0 0 109 -69,-0.5 -1,-0.1 -2,-0.5 3,-0.1 0.886 128.9 -51.4 51.9 46.7 10.0 23.9 11.1 185 203 A G T 3 S+ 0 0 44 1,-0.2 -81,-0.8 -3,-0.1 2,-0.4 0.544 118.6 107.1 71.6 8.7 12.3 21.2 9.9 186 204 A K E < S-cH 104 183B 70 -3,-1.9 -3,-3.0 -83,-0.1 2,-1.1 -0.929 75.5-119.0-121.7 143.7 13.1 19.9 13.4 187 209 A L E + H 0 182B 0 -83,-2.9 -5,-0.2 -2,-0.4 3,-0.1 -0.696 42.8 162.0 -79.7 100.2 11.8 16.8 15.1 188 210 A Q E + 0 0 14 -7,-2.0 21,-1.3 -2,-1.1 22,-0.6 0.748 56.4 21.3 -92.8 -26.8 9.9 18.2 18.1 189 211 A G E -IH 208 181B 0 -8,-2.0 -8,-1.4 19,-0.2 2,-0.4 -0.920 53.3-143.9-143.5 168.0 7.8 15.2 19.0 190 212 A I E -IH 207 180B 0 17,-0.7 17,-2.1 -2,-0.3 2,-0.2 -0.998 41.4-107.1-128.6 127.9 7.3 11.4 18.9 191 213 A V E +I 206 0B 4 -12,-2.7 -13,-2.8 -2,-0.4 15,-0.2 -0.421 56.1 154.7 -55.8 118.7 3.8 10.0 18.5 192 214 A S E - 0 0 2 13,-1.3 2,-0.3 1,-0.3 14,-0.2 0.762 44.8 -41.5-114.6 -68.3 3.1 8.6 22.0 193 215 A W E +I 205 0B 49 12,-2.1 12,-3.1 -19,-0.0 -1,-0.3 -0.899 39.5 177.1-156.1-177.4 -0.5 8.3 23.2 194 216 A G - 0 0 24 -2,-0.3 2,-1.2 10,-0.2 10,-0.1 -0.900 47.1 -87.9 176.6 161.2 -4.0 9.6 23.4 195 217 A S S S- 0 0 62 8,-0.4 4,-0.3 -2,-0.3 2,-0.1 -0.764 94.8 -45.2 -88.6 97.4 -7.4 8.7 24.7 196 219 A G S S- 0 0 52 -2,-1.2 2,-0.4 2,-0.1 -69,-0.1 -0.464 93.1 -64.6 76.6-151.5 -8.8 6.9 21.7 197 220 A f S S- 0 0 11 -71,-0.3 -28,-0.1 -2,-0.1 -24,-0.1 -0.997 102.9 -9.4-141.8 133.1 -8.3 8.6 18.3 198 221 A A S S+ 0 0 8 -26,-0.4 -29,-2.4 -2,-0.4 2,-0.2 0.758 86.7 160.6 54.2 30.1 -9.6 11.8 17.0 199 221AA Q B > -P 202 0D 82 3,-0.5 3,-1.6 -4,-0.3 -31,-0.3 -0.516 49.4 -92.7 -82.6 150.1 -11.9 12.2 20.0 200 222 A K T 3 S- 0 0 128 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.405 107.8 -1.2 -62.0 130.2 -13.4 15.5 21.0 201 223 A N T 3 S+ 0 0 86 -35,-3.1 -1,-0.3 -2,-0.1 -35,-0.1 0.589 109.5 101.7 63.0 14.4 -11.3 17.3 23.6 202 224 A K B < -P 199 0D 70 -3,-1.6 -3,-0.5 -37,-0.3 -4,-0.2 -0.689 54.5-178.9-126.9 73.8 -8.8 14.4 23.7 203 225 A P - 0 0 2 0, 0.0 -8,-0.4 0, 0.0 2,-0.2 -0.085 36.5 -84.1 -66.7 172.5 -5.8 15.6 21.6 204 226 A G E -G 163 0B 0 -41,-1.5 -41,-1.9 -10,-0.1 2,-0.5 -0.572 37.5-143.7 -80.5 144.1 -2.7 13.5 20.9 205 227 A V E -GI 162 193B 0 -12,-3.1 -12,-2.1 -2,-0.2 -13,-1.3 -0.928 20.2-168.2-109.9 133.2 0.0 13.5 23.5 206 228 A Y E -GI 161 191B 0 -45,-3.2 -45,-1.8 -2,-0.5 2,-0.4 -0.891 28.8-102.9-125.5 152.4 3.6 13.4 22.2 207 229 A T E -GI 160 190B 2 -17,-2.1 2,-1.7 -2,-0.3 -17,-0.7 -0.598 37.5-125.4 -72.8 124.4 7.0 12.9 23.7 208 230 A K E > - I 0 189B 44 -49,-2.3 3,-2.2 -2,-0.4 4,-0.3 -0.530 27.6-173.0 -76.2 86.6 8.8 16.3 24.1 209 231 A V G >> S+ 0 0 0 -2,-1.7 3,-2.6 -21,-1.3 4,-0.5 0.763 75.1 70.4 -51.6 -36.1 12.0 15.5 22.2 210 232 A c G 34 S+ 0 0 20 -22,-0.6 3,-0.4 1,-0.3 -1,-0.3 0.745 93.9 58.7 -58.7 -19.7 13.7 18.9 23.1 211 233 A N G <4 S+ 0 0 70 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.587 108.7 46.4 -83.1 -10.6 13.9 17.5 26.6 212 234 A Y T <> S+ 0 0 7 -3,-2.6 4,-3.1 -4,-0.3 5,-0.2 0.387 74.5 105.5-113.0 3.1 16.0 14.6 25.3 213 235 A V H X S+ 0 0 23 -4,-0.5 4,-2.6 -3,-0.4 5,-0.2 0.910 86.5 44.2 -51.8 -48.9 18.5 16.1 23.0 214 236 A S H > S+ 0 0 85 -4,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.907 115.0 49.6 -63.9 -40.8 21.5 15.7 25.4 215 237 A W H > S+ 0 0 46 2,-0.2 4,-2.8 -4,-0.2 5,-0.3 0.944 112.0 47.4 -63.4 -48.8 20.4 12.2 26.3 216 238 A I H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.965 115.4 45.2 -56.2 -54.5 20.1 11.1 22.6 217 239 A K H X S+ 0 0 131 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.909 115.1 46.6 -57.3 -47.2 23.4 12.6 21.7 218 240 A Q H X S+ 0 0 134 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.910 114.1 47.7 -63.7 -43.0 25.2 11.2 24.8 219 241 A T H < S+ 0 0 16 -4,-2.8 4,-0.5 -5,-0.2 3,-0.4 0.927 113.2 47.4 -64.6 -45.9 23.7 7.7 24.3 220 242 A I H >< S+ 0 0 33 -4,-2.9 3,-1.3 -5,-0.3 -2,-0.2 0.925 110.0 54.2 -61.2 -43.6 24.6 7.7 20.6 221 243 A A H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.772 111.7 44.6 -61.4 -29.1 28.1 8.9 21.3 222 244 A S T 3< 0 0 90 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.396 360.0 360.0 -97.7 4.2 28.6 6.0 23.8 223 245 A N < 0 0 80 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.226 360.0 360.0-127.5 360.0 27.1 3.3 21.5