==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-MAY-11 3RXA . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,Y.ZHOU,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 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 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 . 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 19 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.1 -8.1 -8.6 14.4 2 20 A V B +A 171 0A 10 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.860 360.0 5.8-100.2 133.2 -10.3 -9.4 17.4 3 21 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.717 103.9 117.4 72.2 23.3 -12.0 -6.6 19.4 4 22 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.007 57.0-114.5-101.3-154.5 -10.8 -3.9 16.9 5 23 A Y E -B 137 0B 100 132,-2.5 132,-3.2 -3,-0.1 2,-0.5 -0.933 34.6 -84.2-144.5 163.6 -12.6 -1.5 14.6 6 24 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.625 35.9-153.5 -72.9 118.4 -12.9 -0.8 10.9 7 25 A a - 0 0 19 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.908 37.5-112.1 -58.4 -45.8 -9.9 1.3 9.9 8 26 A G > - 0 0 25 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.050 46.4 -58.1 109.6 139.3 -11.5 3.1 7.0 9 27 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.257 117.6 -11.3 -56.9 123.2 -10.6 2.6 3.3 10 28 A N T 3 S+ 0 0 27 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.680 92.5 124.9 63.0 24.5 -7.0 3.4 2.6 11 29 A T S < S+ 0 0 84 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.543 74.0 50.8 -85.9 -10.2 -6.3 5.0 6.0 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.730 73.3 175.2-124.0 75.3 -3.4 2.6 6.5 13 31 A P T 3 S+ 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.587 72.5 56.5 -72.1 -10.8 -1.6 3.1 3.2 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.507 81.5 108.8 -91.6 -10.1 1.5 0.9 4.1 15 33 A Q E < -J 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.566 49.4-174.6 -72.5 124.5 -0.7 -2.2 4.7 16 34 A V E -J 27 0C 1 11,-2.4 11,-1.2 -2,-0.4 2,-0.5 -0.849 20.3-138.9-116.2 154.3 -0.4 -4.8 2.0 17 35 A S E -JK 26 49C 0 32,-2.5 32,-2.8 -2,-0.3 2,-0.5 -0.962 14.9-143.6-106.0 129.5 -2.2 -8.1 1.4 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-1.0 -0.861 24.2-168.3 -91.7 125.5 -0.1 -11.1 0.3 19 37 A N E +JK 23 47C 18 28,-2.9 28,-2.7 -2,-0.5 4,-0.2 -0.962 31.4 166.8-125.6 128.8 -2.1 -13.1 -2.2 20 38 A S S S- 0 0 28 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.303 97.8 -47.1-126.1 46.2 -1.5 -16.6 -3.6 21 39 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.178 140.3 30.0 101.7 -11.9 -5.0 -17.0 -5.1 22 40 A Y S S- 0 0 131 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.943 102.0 -82.9-166.7 153.7 -6.4 -15.8 -1.8 23 41 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.573 51.8 157.6 -64.1 129.8 -5.3 -13.5 1.1 24 42 A F E + 0 0 31 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.498 57.6 6.2-129.7 -12.4 -2.9 -15.4 3.4 25 43 A b E -J 18 0C 6 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.982 61.5-120.7-165.0 156.4 -0.8 -12.8 5.2 26 44 A G E +J 17 0C 0 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.452 28.7 178.3 -90.5 173.6 -0.3 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.955 24.2-118.5-163.2 173.6 2.8 -7.1 5.1 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.992 18.9-132.8-128.0 126.4 4.2 -3.5 5.3 29 47 A L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.654 27.8 172.2 -75.1 122.2 5.4 -1.5 2.3 30 48 A I E - 0 0 21 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.565 66.8 -5.1-113.1 -16.0 8.8 0.0 3.3 31 49 A N E > S- L 0 34C 52 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.928 90.7 -78.6-155.5-175.4 9.8 1.5 -0.0 32 50 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.703 127.7 26.5 -60.0 -18.3 8.4 1.6 -3.6 33 51 A Q T 3 S+ 0 0 54 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.402 110.2 69.2-127.8 3.2 9.8 -1.9 -4.3 34 52 A W E < -LM 31 89C 8 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.3 -0.979 48.5-167.7-136.2 141.6 10.0 -3.8 -1.0 35 53 A V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.4 -0.948 13.4-145.3-124.0 140.3 7.6 -5.3 1.6 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.923 33.8 148.7-103.8 132.9 8.4 -6.5 5.1 37 55 A S E - M 0 86C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.3 -0.727 48.8 -69.0-142.5-169.4 6.4 -9.5 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.722 31.3-132.8 -90.4 142.2 6.8 -12.5 8.7 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.839 107.9 64.2 -59.5 -34.0 9.1 -15.5 7.8 40 58 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.639 93.8 63.5 -68.6 -10.2 6.2 -17.8 8.7 41 59 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.453 76.6 130.7 -84.0 -4.7 4.3 -16.3 5.8 42 60 A Y < + 0 0 134 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.253 22.8 132.3 -55.2 132.0 6.9 -17.6 3.3 43 61 A K - 0 0 53 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.939 51.6 -99.3-163.1 169.1 5.5 -19.4 0.3 44 62 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.419 93.6 40.8 -87.0 167.4 6.0 -19.3 -3.5 45 63 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.855 74.5 173.3 67.0 41.1 3.7 -17.6 -6.0 46 64 A I - 0 0 10 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.661 18.1-170.0 -85.8 130.3 3.2 -14.4 -4.0 47 65 A Q E -KN 19 66C 48 -28,-2.7 -28,-2.9 -2,-0.4 2,-0.5 -0.981 19.0-138.9-110.3 130.9 1.3 -11.4 -5.5 48 66 A V E -KN 18 65C 0 17,-3.0 17,-2.7 -2,-0.5 2,-0.6 -0.784 13.9-159.5 -90.5 128.2 1.5 -8.2 -3.4 49 67 A R E -KN 17 64C 50 -32,-2.8 -32,-2.5 -2,-0.5 3,-0.3 -0.943 13.1-179.1-115.2 113.0 -1.8 -6.3 -3.2 50 68 A L E + N 0 63C 2 13,-2.9 13,-2.0 -2,-0.6 -34,-0.1 -0.692 60.2 32.1-107.7 159.2 -1.5 -2.6 -2.3 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.693 84.2 153.6 69.5 20.7 -4.2 0.0 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.560 21.7 151.7 -83.7 142.3 -6.7 -2.6 -0.6 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.350 81.4 30.4-118.1 -79.3 -9.6 -2.1 1.7 54 72 A N S > S- 0 0 31 80,-0.2 3,-1.3 1,-0.2 -1,-0.4 -0.704 73.6-160.5 -77.1 112.7 -12.2 -4.8 0.8 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.570 87.3 53.6 -74.6 -7.1 -9.9 -7.7 -0.4 56 74 A N T 3 S+ 0 0 119 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.362 105.8 58.3-103.6 3.0 -12.8 -9.3 -2.3 57 75 A V S < S- 0 0 73 -3,-1.3 2,-0.8 76,-0.2 -4,-0.3 -0.998 76.4-130.7-137.6 131.2 -13.8 -6.2 -4.4 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.747 32.8 171.3 -79.4 113.5 -11.9 -4.1 -6.8 59 77 A E - 0 0 100 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.566 51.8 -98.2-107.6 -14.7 -12.6 -0.6 -5.5 60 78 A G S S+ 0 0 60 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.273 104.4 75.6 122.3 -10.0 -10.2 1.5 -7.6 61 79 A N + 0 0 65 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.344 67.7 120.6-109.8 6.8 -7.1 2.2 -5.6 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.356 40.9-167.6 -74.6 146.8 -5.4 -1.2 -5.8 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-2.9 -2,-0.1 2,-0.6 -0.985 7.7-162.5-125.8 122.8 -2.0 -2.0 -7.3 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.943 17.2 169.7-103.6 119.3 -1.4 -5.7 -7.9 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-3.0 -2,-0.6 2,-0.1 -0.992 29.1-128.5-135.6 123.8 2.3 -6.5 -8.3 66 84 A S E -N 47 0C 50 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.377 29.2-110.8 -67.6 146.2 3.9 -10.0 -8.4 67 85 A A E -O 90 0C 18 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.590 22.4-167.5 -73.7 138.3 6.9 -10.7 -6.1 68 86 A S E S+ 0 0 62 21,-2.7 2,-0.3 1,-0.3 22,-0.2 0.722 72.5 1.8 -93.1 -31.5 10.2 -11.2 -7.9 69 87 A K E -O 89 0C 82 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.993 55.1-152.4-156.4 151.7 12.0 -12.5 -4.8 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.972 9.5-167.3-121.5 138.5 11.5 -13.5 -1.2 71 89 A I E -O 87 0C 37 16,-3.0 16,-2.8 -2,-0.4 2,-0.2 -0.916 6.3-160.1-129.6 103.0 14.3 -13.4 1.4 72 90 A V E -O 86 0C 45 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.566 42.2 -87.6 -75.0 143.5 13.6 -15.1 4.7 73 91 A H > - 0 0 23 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.240 35.8-123.7 -52.7 138.4 15.8 -14.0 7.6 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.774 109.4 41.5 -58.3 -27.0 19.0 -16.1 7.6 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.163 78.3 141.7-108.7 16.7 18.4 -17.1 11.2 76 94 A Y < - 0 0 54 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.408 33.8-162.2 -59.6 128.2 14.7 -17.7 11.1 77 95 A N > - 0 0 65 5,-2.1 4,-2.2 -2,-0.1 5,-0.4 -0.967 8.2-162.0-115.3 111.7 13.8 -20.8 13.2 78 96 A S T 4 S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.622 88.5 52.0 -71.5 -13.8 10.4 -22.2 12.4 79 97 A N T 4 S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.925 123.3 24.5 -83.9 -50.7 10.2 -24.1 15.6 80 98 A T T 4 S- 0 0 76 2,-0.1 -2,-0.2 3,-0.0 3,-0.1 0.621 97.3-133.6 -86.5 -16.9 10.9 -21.3 18.1 81 99 A L >< + 0 0 39 -4,-2.2 3,-0.7 1,-0.2 -3,-0.2 0.574 48.8 157.8 66.6 16.5 9.8 -18.6 15.7 82 100 A N T 3 + 0 0 38 -5,-0.4 -5,-2.1 1,-0.2 -1,-0.2 -0.466 63.7 18.1 -69.5 140.4 12.9 -16.6 16.5 83 101 A N T 3 S- 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.905 77.9-180.0 62.8 47.5 13.8 -14.0 13.8 84 102 A D < + 0 0 1 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.498 36.2 112.0 -82.0 75.5 10.3 -14.1 12.3 85 103 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.997 37.1 177.3-148.9 143.9 10.9 -11.7 9.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.994 19.2-138.4-146.7 148.7 11.1 -11.8 5.7 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-3.0 -2,-0.3 2,-0.4 -0.878 13.4-164.4-107.8 142.1 11.6 -9.3 2.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.4 -0.991 6.7-153.0-127.7 122.2 9.7 -9.4 -0.4 89 107 A K E -MO 34 69C 44 -20,-2.7 -21,-2.7 -2,-0.4 -20,-1.2 -0.798 16.2-130.8 -94.6 137.9 10.8 -7.5 -3.5 90 108 A L E - O 0 67C 0 -57,-2.7 -23,-0.2 -2,-0.4 -24,-0.1 -0.606 13.1-128.3 -84.4 144.8 8.2 -6.4 -6.1 91 109 A K S S+ 0 0 141 -25,-2.9 2,-0.3 -2,-0.2 -24,-0.1 0.806 97.5 16.7 -60.5 -30.9 8.7 -7.1 -9.8 92 110 A S S S- 0 0 65 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.974 95.4 -93.8-139.6 153.6 8.0 -3.4 -10.4 93 111 A A - 0 0 53 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.453 41.3-119.7 -67.1 135.3 8.0 -0.3 -8.2 94 112 A A - 0 0 7 -62,-3.3 2,-0.8 -2,-0.2 -1,-0.1 -0.398 25.4-113.0 -66.5 150.4 4.6 0.6 -6.8 95 113 A S - 0 0 79 -2,-0.1 2,-0.2 6,-0.0 -1,-0.1 -0.821 37.5-141.0 -86.7 108.9 3.3 4.1 -7.7 96 114 A L + 0 0 81 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.523 38.6 139.0 -80.7 137.2 3.4 5.9 -4.3 97 115 A N - 0 0 77 3,-2.5 3,-0.4 -2,-0.2 -1,-0.0 -0.806 68.7 -66.6-154.6-169.2 0.5 8.2 -3.4 98 116 A S S S+ 0 0 91 -2,-0.2 3,-0.2 1,-0.2 -2,-0.1 0.754 133.1 39.6 -65.0 -23.6 -1.7 9.2 -0.4 99 117 A R S S+ 0 0 113 1,-0.3 2,-0.4 -87,-0.1 -48,-0.3 0.549 118.7 45.2-105.5 -12.3 -3.3 5.7 -0.4 100 118 A V S S+ 0 0 0 -3,-0.4 -3,-2.5 -50,-0.1 2,-0.3 -0.921 80.5 146.9-131.4 104.6 -0.2 3.6 -1.2 101 119 A A - 0 0 28 -88,-1.5 -72,-0.3 -2,-0.4 2,-0.1 -0.972 44.9-111.7-143.8 149.4 2.7 4.8 0.9 102 120 A S - 0 0 57 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.458 25.8-133.8 -79.1 155.1 5.8 3.4 2.6 103 121 A I - 0 0 15 -74,-2.4 83,-0.1 -89,-0.2 2,-0.1 -0.924 26.7-110.9-109.5 137.4 6.1 3.2 6.4 104 122 A S B -c 186 0B 66 81,-0.7 83,-2.8 -2,-0.4 -73,-0.1 -0.340 24.5-123.9 -67.6 141.9 9.4 4.4 8.1 105 123 A L - 0 0 31 81,-0.2 83,-0.1 -75,-0.2 2,-0.1 -0.529 38.8 -96.3 -75.6 151.9 11.7 1.9 9.8 106 124 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.420 23.1-164.6 -69.4 145.3 12.6 2.6 13.4 107 125 A T S S+ 0 0 134 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.539 84.9 18.8 -96.2 -17.1 15.8 4.5 14.3 108 126 A S S S- 0 0 81 -3,-0.0 -1,-0.3 0, 0.0 102,-0.1 -0.984 91.6 -97.2-146.4 156.4 15.3 3.3 17.9 109 127 A c - 0 0 57 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.344 39.8-115.1 -71.7 152.4 13.3 0.6 19.6 110 128 A A - 0 0 27 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.621 27.3-128.7 -89.1 149.7 9.9 1.3 21.2 111 129 A S > - 0 0 84 -2,-0.2 3,-2.1 1,-0.1 31,-0.3 -0.607 31.1 -86.0 -97.7 155.6 9.4 1.1 25.0 112 130 A A T 3 S+ 0 0 58 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.287 116.3 36.7 -50.6 138.5 6.7 -0.7 27.0 113 131 A G T 3 S+ 0 0 54 29,-3.2 -1,-0.2 1,-0.4 2,-0.2 0.118 82.3 131.8 97.0 -20.1 3.6 1.5 27.3 114 132 A T < - 0 0 39 -3,-2.1 28,-2.3 27,-0.1 -1,-0.4 -0.466 57.7-126.9 -65.0 134.0 4.0 3.0 23.8 115 133 A Q E -D 141 0B 109 26,-0.2 69,-0.4 -2,-0.2 2,-0.3 -0.694 32.8-176.9 -85.7 135.2 0.6 2.9 21.9 116 134 A d E -D 140 0B 5 24,-2.5 24,-2.3 -2,-0.4 2,-0.5 -0.898 26.2-124.5-131.7 158.4 0.7 1.2 18.5 117 135 A L E -DE 139 182B 37 65,-3.2 65,-2.6 -2,-0.3 2,-0.4 -0.936 24.6-171.3-106.5 121.7 -1.7 0.5 15.6 118 136 A I E +DE 138 181B 1 20,-3.1 20,-2.2 -2,-0.5 2,-0.3 -0.922 12.5 178.2-112.1 136.2 -2.1 -3.1 14.6 119 137 A S E +D 137 0B 0 61,-1.2 2,-0.3 -2,-0.4 18,-0.2 -0.960 11.0 119.1-143.1 154.8 -4.0 -3.9 11.4 120 138 A G E -D 136 0B 1 16,-2.2 16,-2.2 -2,-0.3 56,-0.2 -0.944 58.0-100.2 168.4 175.6 -5.1 -6.7 9.1 121 139 A W S S+ 0 0 3 54,-0.5 12,-0.4 -2,-0.3 55,-0.2 0.031 73.6 127.4-104.9 21.5 -7.8 -8.8 7.4 122 140 A G - 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.045 69.0 -54.0 -76.6 177.8 -7.6 -11.7 9.9 123 141 A N - 0 0 2 51,-2.7 8,-0.2 8,-0.2 -1,-0.2 -0.185 37.9-160.2 -48.8 135.9 -10.2 -13.6 12.0 124 142 A T + 0 0 40 6,-2.6 -121,-0.5 -3,-0.1 2,-0.4 0.377 66.5 84.2-102.3 1.7 -12.3 -11.3 14.2 125 143 A K - 0 0 107 5,-0.3 5,-0.1 3,-0.2 -123,-0.1 -0.865 59.5-157.8-108.9 140.2 -13.5 -14.1 16.5 126 144 A S S S+ 0 0 55 -2,-0.4 71,-0.5 72,-0.1 -1,-0.1 0.650 98.4 14.1 -87.1 -18.4 -11.5 -15.4 19.6 127 145 A S S S+ 0 0 117 69,-0.1 -2,-0.1 0, 0.0 69,-0.0 0.678 128.8 37.5-115.8 -58.1 -13.4 -18.7 19.5 128 146 A G S S- 0 0 39 -4,-0.1 2,-0.4 1,-0.0 -3,-0.2 0.303 85.7-100.9 -76.5-154.2 -15.2 -19.1 16.2 129 147 A T + 0 0 105 -5,-0.1 2,-0.3 -6,-0.1 -3,-0.1 -0.970 44.4 149.0-140.9 122.0 -14.1 -18.0 12.7 130 148 A S - 0 0 53 -2,-0.4 -6,-2.6 -5,-0.1 -5,-0.3 -0.894 25.3-156.8-151.4 124.7 -15.2 -14.9 10.8 131 149 A Y - 0 0 111 -2,-0.3 -8,-0.2 -8,-0.2 -9,-0.1 -0.908 6.7-154.3-106.7 129.1 -13.1 -13.0 8.2 132 150 A P - 0 0 31 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 0.616 9.1-149.9 -81.7 -22.0 -14.1 -9.3 7.7 133 151 A D S S+ 0 0 51 -12,-0.4 -78,-2.5 -79,-0.1 2,-0.3 -0.165 75.3 77.2 73.6 -44.2 -12.9 -8.5 4.1 134 152 A V S S- 0 0 35 -2,-1.5 -80,-0.2 -80,-0.3 2,-0.2 -0.684 100.6 -87.1 -91.5 156.7 -12.3 -4.8 4.9 135 153 A L - 0 0 6 -2,-0.3 -128,-1.9 -129,-0.1 -127,-0.5 -0.401 42.4-154.4 -70.7 130.8 -9.2 -3.8 6.9 136 154 A K E -BD 6 120B 45 -16,-2.2 -16,-2.2 -130,-0.2 2,-0.3 -0.777 6.2-157.5-106.1 151.2 -9.5 -3.9 10.7 137 155 A a E -BD 5 119B 2 -132,-3.2 -132,-2.5 -2,-0.3 2,-0.3 -0.909 8.6-172.3-128.7 151.2 -7.5 -1.9 13.2 138 156 A L E - D 0 118B 5 -20,-2.2 -20,-3.1 -2,-0.3 2,-0.5 -0.971 14.9-148.0-145.5 127.3 -6.5 -2.2 16.8 139 157 A K E + D 0 117B 129 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.843 33.7 161.8 -90.8 131.1 -4.8 0.3 19.1 140 158 A A E - D 0 116B 0 -24,-2.3 -24,-2.5 -2,-0.5 2,-0.2 -0.996 34.1-120.8-151.0 145.4 -2.7 -1.6 21.7 141 159 A P E - D 0 115B 20 0, 0.0 23,-2.2 0, 0.0 2,-0.3 -0.605 30.2-111.5 -85.9 147.4 0.2 -0.8 24.1 142 160 A I B -F 163 0B 9 -28,-2.3 -29,-3.2 -31,-0.3 21,-0.3 -0.595 38.4-135.7 -68.7 134.1 3.6 -2.6 24.0 143 161 A L - 0 0 28 19,-3.0 19,-0.4 -2,-0.3 -29,-0.1 -0.597 24.4 -90.2 -92.4 157.3 3.9 -4.7 27.2 144 162 A S > - 0 0 45 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.279 31.5-120.1 -61.3 149.5 6.9 -4.9 29.5 145 163 A D H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.888 113.9 54.3 -56.0 -40.7 9.5 -7.6 28.7 146 164 A S H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 110.2 43.9 -65.0 -41.8 8.9 -9.1 32.2 147 165 A S H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 113.7 52.3 -70.4 -34.8 5.1 -9.4 31.7 148 166 A e H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.945 112.2 44.6 -63.9 -47.9 5.6 -10.8 28.2 149 167 A K H < S+ 0 0 97 -4,-2.8 6,-0.2 1,-0.2 -2,-0.2 0.875 112.7 52.0 -63.5 -38.4 8.1 -13.5 29.5 150 168 A S H < S+ 0 0 95 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.834 108.4 51.7 -66.8 -32.9 5.7 -14.3 32.4 151 169 A A H < S+ 0 0 12 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.852 125.0 25.9 -69.6 -36.4 2.8 -14.7 29.9 152 170 A Y S >X S- 0 0 1 -4,-1.6 3,-1.9 -5,-0.1 4,-0.7 -0.653 86.9-152.8-130.3 73.7 4.9 -17.2 27.8 153 171 A P T 34 S+ 0 0 90 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.193 77.2 1.4 -51.0 131.2 7.5 -18.8 30.0 154 172 A G T 34 S+ 0 0 93 2,-0.1 -4,-0.1 -5,-0.1 -5,-0.1 0.501 116.8 82.2 75.6 7.9 10.6 -20.0 28.1 155 173 A Q T <4 + 0 0 92 -3,-1.9 2,-0.7 -6,-0.2 -1,-0.1 0.601 58.4 93.0-121.7 -18.0 9.5 -18.6 24.7 156 174 A I < - 0 0 17 -4,-0.7 2,-0.1 -7,-0.1 -2,-0.1 -0.754 52.5-172.4 -92.3 115.0 10.2 -14.9 24.5 157 175 A T > - 0 0 39 -2,-0.7 3,-1.5 1,-0.0 -2,-0.1 -0.403 43.3 -95.5 -93.1 176.4 13.5 -14.1 22.8 158 176 A S T 3 S+ 0 0 89 1,-0.3 53,-0.1 -2,-0.1 -1,-0.0 0.550 123.2 61.2 -68.7 -8.3 15.2 -10.7 22.5 159 177 A N T 3 S+ 0 0 24 51,-0.0 49,-2.6 48,-0.0 2,-0.3 0.154 98.2 70.9-102.6 15.7 13.7 -10.4 19.0 160 178 A M E < - G 0 207B 8 -3,-1.5 2,-0.3 47,-0.3 47,-0.2 -0.954 53.0-177.9-132.1 148.2 10.1 -10.5 20.3 161 179 A F E - G 0 206B 21 45,-2.1 45,-3.2 -2,-0.3 2,-0.3 -0.982 21.9-127.3-140.5 156.6 7.7 -8.3 22.2 162 180 A e E + G 0 205B 0 -19,-0.4 -19,-3.0 -2,-0.3 2,-0.3 -0.789 25.4 178.1 -97.9 143.2 4.2 -8.5 23.5 163 181 A A E +FG 142 204B 0 41,-1.9 41,-0.8 -2,-0.3 2,-0.4 -0.990 40.1 43.9-142.8 146.4 1.5 -6.0 22.7 164 182 A G S S- 0 0 2 -23,-2.2 2,-0.4 -2,-0.3 7,-0.1 -0.979 88.5 -37.5 129.2-139.9 -2.2 -5.9 23.7 165 183 A Y > - 0 0 50 5,-0.6 3,-1.6 -2,-0.4 37,-0.3 -0.990 25.6-150.8-138.9 123.8 -4.1 -6.6 26.9 166 184 A L T 3 S+ 0 0 57 -2,-0.4 35,-3.4 1,-0.3 36,-0.2 0.758 100.1 64.2 -65.3 -24.3 -3.5 -9.2 29.6 167 185 A E T 3 S- 0 0 139 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.639 104.6-137.6 -71.4 -15.2 -7.3 -9.2 30.3 168 186 A G < + 0 0 13 -3,-1.6 31,-0.2 31,-0.2 -1,-0.2 -0.216 68.0 104.7 85.5 179.4 -7.9 -10.5 26.8 169 187 A G S S+ 0 0 43 29,-2.4 2,-0.4 28,-0.1 30,-0.1 0.060 76.4 68.1 97.7 -23.8 -10.6 -9.5 24.3 170 188 A K + 0 0 91 -5,-0.2 -5,-0.6 29,-0.1 2,-0.3 -0.979 64.1 113.5-135.9 120.8 -8.3 -7.5 21.9 171 189 A D B -A 2 0A 4 -169,-1.9 -169,-3.0 -2,-0.4 2,-0.2 -0.982 61.3 -89.8-169.3 165.5 -5.6 -9.1 19.7 172 190 A S - 0 0 11 -2,-0.3 26,-0.3 -171,-0.2 2,-0.2 -0.616 49.9-178.0 -82.8 158.4 -4.3 -9.9 16.3 173 191 A f > - 0 0 9 -2,-0.2 3,-2.4 1,-0.1 4,-0.4 -0.735 35.7 -31.3-147.2-171.6 -5.4 -13.3 15.0 174 192 A Q T 3 S+ 0 0 93 1,-0.3 -51,-2.7 -2,-0.2 -1,-0.1 -0.257 125.9 24.1 -56.3 131.9 -5.2 -15.9 12.1 175 193 A G T 3 S+ 0 0 15 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.3 0.203 101.6 86.1 94.4 -14.7 -4.7 -14.0 8.8 176 194 A D X + 0 0 0 -3,-2.4 3,-2.1 -56,-0.2 15,-0.3 0.600 62.0 130.0 -85.1 -15.7 -3.2 -11.0 10.4 177 195 A S T 3 S+ 0 0 23 -4,-0.4 -151,-3.3 1,-0.3 15,-0.2 -0.036 70.5 16.4 -38.3 133.6 0.2 -12.7 10.3 178 196 A G T 3 S+ 0 0 0 13,-2.8 -1,-0.3 1,-0.2 -150,-0.1 0.297 97.9 129.6 83.6 -8.3 3.0 -10.7 8.8 179 197 A G < - 0 0 0 -3,-2.1 12,-2.2 1,-0.1 -1,-0.2 -0.123 58.8 -77.9 -77.9 174.6 1.1 -7.4 9.2 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.2 0, 0.0 2,-0.4 -0.400 21.8-169.0 -80.2 146.0 2.2 -4.1 10.8 181 199 A V E -EH 118 189B 0 8,-1.9 8,-1.9 -63,-0.2 7,-1.9 -0.960 25.4-173.2-120.9 109.0 2.6 -2.8 14.3 182 200 A V E -EH 117 187B 14 -65,-2.6 -65,-3.2 -2,-0.4 2,-0.4 -0.914 10.0-179.8-114.2 127.7 3.1 0.9 13.9 183 201 A d E > S- H 0 186B 4 3,-2.5 3,-1.4 -2,-0.5 -67,-0.2 -0.991 72.1 -15.3-131.3 120.5 4.0 3.2 16.8 184 202 A S T 3 S- 0 0 110 -2,-0.4 -1,-0.1 -69,-0.4 3,-0.1 0.879 129.3 -51.1 51.9 43.4 4.6 6.9 16.4 185 203 A G T 3 S+ 0 0 41 1,-0.2 -81,-0.7 -3,-0.0 2,-0.4 0.549 117.0 107.2 77.0 10.2 4.9 6.6 12.6 186 204 A K E < S-cH 104 183B 73 -3,-1.4 -3,-2.5 -83,-0.1 2,-1.1 -0.941 74.5-119.5-121.6 143.6 7.5 3.8 12.7 187 205 A L E + H 0 182B 0 -83,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.674 44.8 158.9 -78.7 98.9 7.2 0.1 11.9 188 206 A Q E + 0 0 13 -7,-1.9 21,-1.7 -2,-1.1 22,-0.5 0.693 55.7 26.7 -96.5 -21.6 8.1 -1.4 15.3 189 207 A G E -IH 208 181B 0 -8,-1.9 -8,-1.9 19,-0.2 2,-0.4 -0.953 53.2-148.6-144.1 160.8 6.5 -4.9 15.0 190 208 A I E -IH 207 180B 0 17,-0.8 17,-2.3 -2,-0.3 2,-0.4 -0.991 41.2-105.6-125.3 134.0 5.4 -7.7 12.7 191 209 A V E +I 206 0B 6 -12,-2.2 -13,-2.8 -2,-0.4 15,-0.2 -0.467 58.2 153.3 -62.1 116.9 2.4 -9.9 13.6 192 210 A S E - 0 0 8 13,-1.6 2,-0.3 -2,-0.4 14,-0.2 0.814 43.0 -37.3-117.2 -67.0 4.1 -13.1 14.6 193 211 A W E +I 205 0B 43 12,-2.0 12,-3.2 -16,-0.0 -1,-0.3 -0.949 41.6 164.2-159.0 173.5 2.5 -15.5 17.0 194 212 A G - 0 0 31 -2,-0.3 2,-0.8 10,-0.2 10,-0.1 -0.945 49.0 -87.6-177.8 175.2 0.4 -16.2 20.1 195 213 A S S S- 0 0 67 -2,-0.3 4,-0.3 8,-0.2 -2,-0.0 -0.874 94.4 -45.4-101.2 100.3 -1.6 -18.9 21.9 196 214 A G S S- 0 0 46 -2,-0.8 2,-0.4 2,-0.1 -69,-0.1 -0.305 90.2 -69.1 65.1-160.6 -5.0 -18.5 20.3 197 215 A f S S- 0 0 5 -71,-0.5 -24,-0.1 1,-0.1 -28,-0.1 -0.996 100.7 -6.7-131.7 133.3 -6.3 -15.0 20.0 198 216 A A S S+ 0 0 8 -2,-0.4 -29,-2.4 -26,-0.3 2,-0.2 0.702 85.8 154.3 64.4 23.8 -7.5 -12.4 22.6 199 217 A Q B > -P 202 0D 81 3,-0.5 3,-1.9 -4,-0.3 -31,-0.2 -0.535 54.3 -89.2 -84.6 150.1 -7.2 -15.0 25.4 200 218 A K T 3 S+ 0 0 153 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.308 110.3 2.6 -58.5 135.2 -6.6 -13.9 29.0 201 219 A N T 3 S+ 0 0 81 -35,-3.4 -1,-0.3 -36,-0.1 -35,-0.1 0.593 110.5 97.8 61.9 16.2 -2.9 -13.6 29.9 202 220 A K B < +P 199 0D 60 -3,-1.9 -3,-0.5 -37,-0.3 -4,-0.3 -0.576 53.1 177.2-132.1 69.5 -1.9 -14.5 26.3 203 221 A P - 0 0 3 0, 0.0 -8,-0.2 0, 0.0 -39,-0.2 -0.264 40.7 -84.1 -68.9 160.9 -1.2 -11.3 24.4 204 222 A G E -G 163 0B 1 -41,-0.8 -41,-1.9 -10,-0.1 2,-0.4 -0.332 39.4-138.8 -62.1 144.9 -0.0 -11.2 20.8 205 223 A V E -GI 162 193B 0 -12,-3.2 -12,-2.0 -43,-0.2 -13,-1.6 -0.911 20.8-166.6-110.7 138.7 3.7 -11.6 20.2 206 224 A Y E -GI 161 191B 1 -45,-3.2 -45,-2.1 -2,-0.4 2,-0.3 -0.927 27.2-106.0-130.7 144.5 5.4 -9.5 17.6 207 225 A T E -GI 160 190B 2 -17,-2.3 2,-1.4 -2,-0.3 -17,-0.8 -0.557 36.7-123.8 -69.9 131.5 8.8 -9.5 15.8 208 226 A K E > - I 0 189B 64 -49,-2.6 3,-1.8 -2,-0.3 4,-0.3 -0.611 28.8-172.5 -83.0 89.9 11.0 -6.7 17.2 209 227 A V G > S+ 0 0 0 -21,-1.7 3,-2.5 -2,-1.4 4,-0.4 0.783 73.9 70.1 -59.4 -34.3 11.7 -4.8 13.9 210 228 A c G > S+ 0 0 21 -22,-0.5 3,-0.6 1,-0.3 -1,-0.3 0.772 93.2 60.2 -57.3 -26.1 14.3 -2.4 15.4 211 229 A N G < S+ 0 0 68 -3,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.643 107.5 45.9 -70.3 -15.8 16.7 -5.3 15.8 212 230 A Y G <> S+ 0 0 6 -3,-2.5 4,-2.9 -4,-0.3 -1,-0.2 0.332 75.9 103.1-113.5 2.9 16.6 -5.9 12.0 213 231 A V H <> S+ 0 0 21 -3,-0.6 4,-2.5 -4,-0.4 5,-0.2 0.894 84.6 49.3 -59.5 -42.5 17.0 -2.4 10.5 214 232 A S H > S+ 0 0 81 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.951 113.6 46.1 -61.7 -49.0 20.7 -3.0 9.6 215 233 A W H > S+ 0 0 44 -4,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 112.2 51.6 -58.5 -44.2 19.8 -6.4 7.9 216 234 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.943 113.3 43.9 -60.0 -47.1 16.9 -4.8 6.1 217 235 A K H X S+ 0 0 116 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.912 115.0 46.3 -68.2 -43.3 18.9 -2.0 4.7 218 236 A Q H X S+ 0 0 127 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.913 113.9 50.2 -66.8 -40.2 22.0 -4.0 3.7 219 237 A T H >X S+ 0 0 16 -4,-2.5 3,-0.8 -5,-0.3 4,-0.6 0.939 112.7 45.5 -62.4 -49.1 19.7 -6.6 2.0 220 238 A I H >< S+ 0 0 35 -4,-2.5 3,-1.0 -5,-0.2 -1,-0.2 0.901 108.0 59.0 -58.4 -40.5 17.8 -4.0 0.1 221 239 A A H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.731 114.9 34.7 -64.5 -22.5 21.1 -2.3 -0.9 222 240 A S H << 0 0 105 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.330 360.0 360.0-115.1 5.8 22.3 -5.5 -2.6 223 241 A N << 0 0 75 -3,-1.0 -3,-0.0 -4,-0.6 -4,-0.0 -0.635 360.0 360.0-132.7 360.0 19.1 -7.0 -4.1