==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-07 2OTV . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.SINHA,N.SINGH,S.SHARMA,A.BHUSHAN,P.KAUR,T.P.SINGH . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9354.0 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 . 70 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 14 6.3 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 1 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.8 -8.1 -20.6 -14.7 2 17 A V B +A 171 0A 10 169,-2.5 169,-1.8 1,-0.2 123,-0.1 -0.870 360.0 5.0 -98.8 131.6 -10.3 -19.8 -17.7 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.720 101.8 120.0 73.5 21.4 -12.0 -22.6 -19.5 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.006 56.6-109.7 -98.2-155.6 -10.9 -25.3 -17.1 5 20 A Y E -B 137 0B 99 132,-2.5 132,-3.1 -3,-0.1 2,-0.5 -0.933 34.9 -88.6-138.3 158.6 -12.6 -27.8 -14.8 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.581 36.5-150.8 -68.4 120.4 -13.0 -28.4 -11.1 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.915 34.2-115.4 -60.8 -45.6 -10.0 -30.5 -10.0 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.037 46.6 -55.5 109.1 140.6 -11.7 -32.3 -7.1 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.256 117.8 -12.5 -56.2 123.5 -10.7 -32.0 -3.5 10 25 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.674 90.9 126.4 60.5 26.6 -7.0 -32.7 -2.9 11 26 A T S < S+ 0 0 82 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.547 75.1 50.0 -85.3 -8.9 -6.3 -34.2 -6.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.2 -0.716 74.7 175.3-125.0 76.4 -3.4 -31.8 -6.8 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.626 71.2 56.4 -69.6 -13.1 -1.7 -32.4 -3.5 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.479 81.2 110.8 -94.2 -3.5 1.4 -30.2 -4.1 15 30 A Q E < -J 28 0C 7 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.548 47.0-173.8 -75.7 130.0 -0.7 -27.0 -4.8 16 31 A V E -JK 27 50C 1 11,-2.2 11,-1.1 -2,-0.3 2,-0.5 -0.881 19.5-139.4-121.9 156.1 -0.5 -24.3 -2.2 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.6 -0.956 15.2-142.1-108.8 131.1 -2.2 -21.0 -1.6 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.4 -2,-0.5 7,-1.0 -0.860 24.5-166.3 -92.4 125.1 -0.2 -18.1 -0.4 19 34 A N E +JK 23 47C 20 28,-2.9 28,-2.5 -2,-0.6 4,-0.2 -0.939 31.4 166.8-120.7 129.2 -2.2 -16.1 2.0 20 37 A S S S- 0 0 36 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.276 97.5 -49.4-125.5 43.9 -1.7 -12.5 3.5 21 38 A G S S+ 0 0 68 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.274 139.7 30.7 104.3 -5.8 -5.1 -12.2 4.9 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.928 103.0 -81.4-168.2 159.6 -6.6 -13.4 1.6 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.592 51.6 157.7 -72.0 132.9 -5.4 -15.6 -1.2 24 41 A F E + 0 0 30 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.581 57.7 2.6-131.8 -17.6 -3.0 -13.8 -3.6 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.986 62.1-120.1-162.3 161.0 -0.9 -16.3 -5.4 26 43 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.451 27.3 176.6 -96.9-179.9 -0.3 -20.0 -5.8 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.956 24.1-116.7-169.2 174.8 2.8 -22.1 -5.2 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.6 -0.997 18.5-131.4-130.7 134.1 4.1 -25.7 -5.2 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.2 -2,-0.4 6,-0.2 -0.718 26.0 174.4 -81.4 119.6 5.5 -27.8 -2.4 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.6 75,-0.2 0.530 68.1 -9.1-106.2 -7.8 8.8 -29.3 -3.4 31 48 A N E > S- L 0 34C 50 3,-1.1 3,-1.2 70,-0.1 -1,-0.4 -0.939 90.7 -74.7-173.1 170.7 9.6 -30.8 -0.1 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.632 127.6 24.3 -53.7 -13.9 8.4 -30.8 3.5 33 50 A Q T 3 S+ 0 0 57 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.413 110.1 72.0-133.2 3.6 9.8 -27.4 4.2 34 51 A W E < -LM 31 89C 10 -3,-1.2 -4,-2.3 55,-0.2 -3,-1.1 -0.976 48.0-171.4-132.6 139.1 10.1 -25.5 0.9 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.4 -0.945 12.1-148.8-123.6 143.0 7.7 -23.9 -1.6 36 53 A V E +LM 28 87C 1 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.3 -0.910 30.7 146.8-112.3 141.3 8.4 -22.5 -5.0 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.9 -2,-0.4 2,-0.2 -0.893 50.4 -65.2-156.7-180.0 6.4 -19.6 -6.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.565 32.9-133.2 -82.9 144.2 6.8 -16.6 -8.7 39 56 A A G > S+ 0 0 2 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.818 105.7 64.6 -61.7 -31.5 9.1 -13.7 -7.7 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.618 93.4 64.0 -71.3 -7.2 6.3 -11.2 -8.7 41 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.384 76.1 136.9 -88.5 -0.2 4.3 -12.7 -5.9 42 59 A Y < + 0 0 132 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.229 18.6 146.8 -56.7 135.4 6.8 -11.6 -3.3 43 60 A K - 0 0 61 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.956 45.4-113.7-155.8 156.4 5.3 -10.0 -0.1 44 61 A S S S+ 0 0 100 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.622 95.2 38.0 -87.8 155.0 6.3 -9.9 3.6 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.874 76.4 171.8 75.9 41.1 4.1 -11.8 6.1 46 63 A I - 0 0 9 -3,-0.3 21,-2.3 -26,-0.1 2,-0.5 -0.647 20.2-163.4 -87.1 134.5 3.1 -14.8 4.0 47 64 A Q E -KN 19 66C 50 -28,-2.5 -28,-2.9 -2,-0.3 2,-0.5 -0.981 16.5-141.8-110.5 129.8 1.2 -17.8 5.4 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.5 -2,-0.5 2,-0.6 -0.804 11.4-156.9 -94.0 128.6 1.4 -20.9 3.3 49 66 A R E -KN 17 64C 52 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.924 13.3-176.6-113.7 113.5 -1.8 -22.9 3.1 50 67 A L E +KN 16 63C 2 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.695 60.3 29.3-101.7 157.7 -1.5 -26.6 2.2 51 69 A G S S+ 0 0 7 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.730 84.6 155.2 74.6 12.9 -4.2 -29.3 1.7 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.574 23.0 151.2 -83.8 143.5 -6.8 -26.7 0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.365 80.4 31.3-120.0 -77.8 -9.7 -27.1 -1.8 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.1 1,-0.1 -1,-0.4 -0.717 72.3-160.4 -79.6 113.1 -12.3 -24.5 -0.8 55 73 A I T 3 S+ 0 0 32 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.559 87.3 51.2 -73.8 -4.7 -10.2 -21.6 0.4 56 74 A N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.357 105.5 58.2-109.8 0.2 -13.1 -20.0 2.2 57 75 A V S < S- 0 0 76 -3,-1.1 2,-0.7 76,-0.2 -4,-0.3 -0.998 78.1-127.1-133.3 135.0 -14.1 -23.1 4.2 58 76 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.733 33.4 172.2 -80.0 115.2 -12.2 -25.2 6.7 59 77 A E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.641 49.9-100.5-104.3 -17.9 -12.7 -28.7 5.4 60 78 A G S S+ 0 0 59 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.315 103.2 74.9 121.0 -8.4 -10.3 -30.8 7.5 61 79 A N + 0 0 67 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.307 66.7 121.3-116.3 8.1 -7.1 -31.4 5.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.376 40.0-167.9 -73.8 149.4 -5.5 -28.0 5.8 63 81 A Q E -N 50 0C 40 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.6 -0.980 7.1-162.8-132.2 122.8 -2.2 -27.2 7.2 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.944 16.8 170.1-108.5 118.3 -1.4 -23.4 7.8 65 83 A I E -N 48 0C 15 -17,-2.5 -17,-2.9 -2,-0.6 2,-0.1 -0.991 28.2-128.3-135.5 127.4 2.3 -22.7 8.2 66 84 A S E -N 47 0C 59 -2,-0.4 25,-2.6 -19,-0.2 26,-0.3 -0.344 28.0-112.4 -70.2 149.2 4.0 -19.3 8.3 67 85 A A E -O 90 0C 26 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.610 23.6-170.9 -79.4 142.5 7.0 -18.5 6.1 68 86 A S E S+ 0 0 72 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.699 71.7 8.1-103.0 -25.5 10.3 -18.0 7.9 69 87 A K E -O 89 0C 93 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.988 58.3-159.0-155.9 142.8 12.3 -16.8 4.9 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.984 6.8-166.5-125.0 138.9 11.7 -15.8 1.3 71 89 A I E -O 87 0C 36 16,-3.0 16,-2.6 -2,-0.4 2,-0.3 -0.936 4.5-160.2-129.7 109.7 14.4 -15.8 -1.4 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.624 42.5 -89.3 -82.5 142.1 13.7 -14.1 -4.7 73 91 A H > - 0 0 24 12,-2.1 3,-1.7 10,-0.3 -1,-0.1 -0.237 34.9-123.7 -51.7 138.5 16.0 -15.2 -7.5 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.748 108.8 42.3 -59.8 -23.9 19.1 -13.0 -7.6 75 93 A S T 3 S+ 0 0 75 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.146 78.2 143.3-110.8 17.3 18.5 -12.0 -11.2 76 94 A Y < - 0 0 58 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.358 32.3-163.0 -59.1 129.8 14.8 -11.4 -11.1 77 95 A N > - 0 0 65 5,-2.1 4,-2.2 1,-0.1 5,-0.5 -0.964 7.9-164.0-117.7 111.1 13.8 -8.4 -13.3 78 96 A S T 4 S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.694 86.8 56.7 -70.0 -18.1 10.3 -7.0 -12.4 79 97 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.899 123.3 21.6 -80.1 -39.0 10.1 -5.1 -15.7 80 98 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.578 96.3-130.3 -99.7 -14.4 10.6 -8.0 -18.0 81 99 A L >< + 0 0 33 -4,-2.2 3,-0.8 1,-0.2 2,-0.2 0.630 50.4 158.9 66.2 17.0 9.6 -10.8 -15.6 82 100 A N T 3 + 0 0 36 -5,-0.5 -5,-2.1 1,-0.2 -1,-0.2 -0.512 66.6 16.2 -67.6 136.6 12.8 -12.6 -16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.894 79.5 178.3 64.6 46.0 13.7 -15.1 -13.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.516 36.0 110.5 -81.9 78.8 10.2 -15.0 -12.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.995 37.4 176.1-153.0 142.1 10.9 -17.5 -9.4 86 104 A M E -MO 37 72C 0 -49,-2.9 -49,-2.4 -2,-0.3 2,-0.4 -0.987 19.7-136.9-147.3 154.4 11.2 -17.4 -5.7 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.0 -2,-0.3 2,-0.4 -0.908 12.8-163.0-112.1 141.5 11.6 -19.9 -2.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.5 -0.990 7.4-151.2-126.1 124.9 9.8 -19.8 0.5 89 107 A K E -MO 34 69C 49 -20,-2.7 -21,-3.1 -2,-0.4 -20,-1.2 -0.841 18.0-131.0 -96.0 134.4 10.9 -21.7 3.6 90 108 A L E - O 0 67C 0 -57,-3.0 -23,-0.2 -2,-0.5 -24,-0.1 -0.523 12.9-127.0 -82.2 147.0 8.3 -22.9 6.0 91 109 A K S S+ 0 0 156 -25,-2.6 2,-0.3 -2,-0.2 -1,-0.1 0.817 96.4 11.5 -60.8 -33.5 8.7 -22.2 9.8 92 110 A S S S- 0 0 62 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.974 94.6 -89.4-142.9 157.9 8.1 -25.9 10.4 93 111 A A - 0 0 54 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.402 41.7-120.3 -69.3 139.5 7.9 -29.0 8.2 94 112 A A - 0 0 8 -62,-3.2 2,-0.7 -63,-0.1 -1,-0.1 -0.423 25.6-111.0 -73.1 152.4 4.6 -30.0 6.7 95 113 A S - 0 0 82 -2,-0.1 2,-0.4 6,-0.0 -1,-0.1 -0.803 37.2-140.3 -87.4 115.0 3.0 -33.4 7.5 96 114 A L + 0 0 83 -2,-0.7 2,-0.2 3,-0.1 5,-0.2 -0.636 38.9 134.2 -90.5 125.5 3.2 -35.3 4.3 97 115 A N - 0 0 76 3,-2.5 3,-0.0 -2,-0.4 -1,-0.0 -0.668 69.2 -65.4-144.3-160.4 0.3 -37.6 3.2 98 116 A S S S+ 0 0 90 1,-0.2 3,-0.1 -2,-0.2 -2,-0.1 0.730 132.6 37.6 -70.2 -20.8 -1.9 -38.6 0.3 99 117 A R S S+ 0 0 114 1,-0.3 2,-0.4 -86,-0.1 -48,-0.2 0.548 119.2 46.2-111.0 -14.0 -3.5 -35.1 0.2 100 118 A V S S+ 0 0 1 -50,-0.1 -3,-2.5 -49,-0.1 2,-0.3 -0.950 78.5 146.2-130.3 109.8 -0.4 -33.0 1.0 101 119 A A - 0 0 28 -88,-1.3 -72,-0.3 -2,-0.4 2,-0.1 -0.968 44.3-110.9-145.6 155.0 2.6 -34.1 -1.0 102 120 A S - 0 0 56 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.474 24.9-133.7 -84.5 158.4 5.6 -32.7 -2.7 103 121 A I - 0 0 14 -74,-2.2 83,-0.1 -89,-0.2 2,-0.1 -0.932 26.1-114.0-111.1 138.3 6.2 -32.5 -6.5 104 122 A S B -c 186 0B 65 81,-0.6 83,-2.7 -2,-0.4 -73,-0.1 -0.394 22.8-122.4 -70.4 145.7 9.5 -33.6 -8.0 105 123 A L - 0 0 35 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.553 37.3-103.8 -79.3 151.4 11.8 -31.2 -9.7 106 124 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.377 20.1-163.2 -75.5 155.4 12.7 -32.1 -13.4 107 125 A T S S+ 0 0 130 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.510 83.1 31.0-106.6 -16.8 15.9 -33.6 -14.5 108 127 A S S S- 0 0 81 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.966 88.7-106.1-134.7 155.7 15.3 -32.6 -18.1 109 128 A c - 0 0 57 -2,-0.3 2,-0.1 -3,-0.1 79,-0.0 -0.543 39.3-119.5 -74.8 145.1 13.4 -29.8 -19.8 110 129 A A - 0 0 29 -2,-0.2 2,-0.3 78,-0.1 -1,-0.1 -0.455 25.7-124.9 -83.5 159.2 10.0 -30.7 -21.4 111 130 A S > - 0 0 80 -2,-0.1 3,-2.5 1,-0.1 31,-0.3 -0.779 26.9 -92.4-107.9 152.8 9.3 -30.3 -25.0 112 132 A A T 3 S+ 0 0 52 -2,-0.3 31,-0.2 1,-0.3 -1,-0.1 -0.214 114.3 44.6 -49.6 149.0 6.7 -28.6 -26.9 113 133 A G T 3 S+ 0 0 63 29,-2.6 -1,-0.3 1,-0.3 2,-0.1 -0.077 82.9 125.1 99.4 -30.0 3.9 -31.0 -27.5 114 134 A T < - 0 0 38 -3,-2.5 28,-2.2 27,-0.1 -1,-0.3 -0.409 59.6-130.8 -68.4 133.9 4.0 -32.3 -23.9 115 135 A Q E -D 141 0B 122 26,-0.2 69,-0.5 -2,-0.1 2,-0.3 -0.680 30.6-176.8 -85.7 135.9 0.6 -32.1 -22.1 116 136 A d E -D 140 0B 5 24,-2.5 24,-2.2 -2,-0.3 2,-0.5 -0.873 25.5-123.4-131.0 163.2 0.7 -30.5 -18.7 117 137 A L E -DE 139 182B 39 65,-2.9 65,-2.5 -2,-0.3 2,-0.4 -0.953 24.4-172.7-110.5 126.2 -1.7 -29.8 -15.8 118 138 A I E +DE 138 181B 0 20,-2.9 20,-2.2 -2,-0.5 2,-0.3 -0.921 10.6 179.8-116.7 141.5 -2.0 -26.2 -14.7 119 139 A S E +D 137 0B 0 61,-1.1 2,-0.3 -2,-0.4 18,-0.2 -0.973 11.4 122.2-146.1 154.5 -4.0 -25.3 -11.5 120 140 A G E -D 136 0B 1 16,-2.1 16,-2.0 -2,-0.3 56,-0.2 -0.941 57.3-104.3 170.2 173.8 -5.1 -22.4 -9.4 121 141 A W S S+ 0 0 3 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.017 73.4 128.1-107.7 26.2 -7.8 -20.3 -7.7 122 142 A G - 0 0 0 1,-0.2 53,-0.3 9,-0.1 52,-0.1 -0.086 69.2 -54.2 -78.0 179.5 -7.4 -17.4 -10.2 123 143 A N - 0 0 11 51,-2.8 8,-0.2 8,-0.1 -1,-0.2 -0.203 39.6-159.7 -54.1 140.6 -10.0 -15.6 -12.3 124 144 A T + 0 0 31 6,-2.3 -121,-0.5 -3,-0.1 2,-0.4 0.343 65.3 76.6-105.7 3.0 -12.2 -17.8 -14.4 125 145 A K - 0 0 115 5,-0.3 3,-0.1 3,-0.2 5,-0.1 -0.908 58.2-156.7-117.8 146.2 -13.4 -15.1 -16.9 126 146 A S S S+ 0 0 60 -2,-0.4 2,-0.4 1,-0.3 71,-0.3 0.702 97.0 34.3 -86.2 -24.6 -11.6 -13.6 -19.9 127 147 A S S S+ 0 0 101 69,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.999 125.5 0.0-128.4 125.9 -13.9 -10.6 -19.7 128 148 A G S S- 0 0 55 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.2 -0.403 89.8 -78.9 89.3-172.3 -15.0 -9.5 -16.2 129 149 A T + 0 0 110 -2,-0.1 2,-0.3 -5,-0.1 -3,-0.1 -0.997 42.9 158.5-137.9 137.0 -14.1 -11.2 -12.9 130 150 A S - 0 0 55 -2,-0.4 -6,-2.3 -5,-0.1 -5,-0.3 -0.895 19.2-161.9-152.4 117.8 -15.2 -14.3 -11.1 131 151 A Y - 0 0 96 -2,-0.3 2,-0.2 -8,-0.2 -8,-0.1 -0.898 14.5-140.7-104.5 132.3 -13.0 -15.9 -8.5 132 152 A P - 0 0 19 0, 0.0 4,-0.1 0, 0.0 -77,-0.1 -0.538 7.0-146.6 -85.4 157.9 -13.8 -19.5 -7.6 133 153 A D S S+ 0 0 77 -2,-0.2 -78,-2.5 2,-0.1 2,-0.3 0.670 81.9 60.5 -94.2 -21.6 -13.5 -20.8 -4.1 134 154 A V S S- 0 0 37 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.720 98.9 -85.8-108.7 159.3 -12.4 -24.3 -5.1 135 155 A L - 0 0 5 -2,-0.3 -128,-2.0 -82,-0.1 -127,-0.5 -0.392 40.6-154.9 -69.3 131.5 -9.3 -25.4 -7.1 136 156 A K E -BD 6 120B 47 -16,-2.0 -16,-2.1 -130,-0.2 2,-0.3 -0.806 6.4-158.4-106.9 150.3 -9.6 -25.3 -10.9 137 157 A a E -BD 5 119B 2 -132,-3.1 -132,-2.5 -2,-0.3 2,-0.3 -0.903 8.4-172.2-128.5 151.6 -7.5 -27.3 -13.4 138 158 A L E - D 0 118B 6 -20,-2.2 -20,-2.9 -2,-0.3 2,-0.5 -0.980 15.0-148.3-146.9 130.8 -6.5 -27.1 -17.0 139 159 A K E + D 0 117B 104 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.885 34.5 159.2 -96.9 127.6 -4.8 -29.5 -19.3 140 160 A A E - D 0 116B 0 -24,-2.2 -24,-2.5 -2,-0.5 2,-0.2 -0.998 34.3-120.4-149.9 145.4 -2.6 -27.7 -21.9 141 161 A P E - D 0 115B 37 0, 0.0 23,-2.2 0, 0.0 2,-0.3 -0.590 29.2-110.2 -86.9 152.3 0.3 -28.4 -24.2 142 162 A I B -F 163 0B 12 -28,-2.2 -29,-2.6 -31,-0.3 21,-0.3 -0.611 39.0-135.9 -73.4 135.0 3.7 -26.6 -24.2 143 163 A L - 0 0 25 19,-2.8 19,-0.4 -2,-0.3 -31,-0.1 -0.570 23.9 -91.4 -93.9 157.5 3.9 -24.6 -27.4 144 164 A S > - 0 0 48 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.327 32.5-119.7 -64.0 150.4 7.0 -24.4 -29.6 145 165 A D H > S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.831 113.6 56.4 -59.7 -32.7 9.4 -21.6 -28.9 146 166 A S H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 108.1 44.8 -69.8 -42.3 8.8 -20.1 -32.3 147 167 A S H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 113.8 52.3 -66.9 -37.6 5.1 -19.8 -31.8 148 168 A e H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.951 112.2 43.8 -59.7 -52.5 5.8 -18.4 -28.4 149 169 A K H < S+ 0 0 115 -4,-2.7 -2,-0.2 1,-0.2 6,-0.2 0.811 111.8 54.0 -66.1 -31.7 8.2 -15.7 -29.8 150 170 A S H < S+ 0 0 93 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.836 109.2 49.1 -69.2 -33.8 5.8 -15.0 -32.6 151 171 A A H < S+ 0 0 12 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.845 125.8 26.2 -73.8 -32.9 3.0 -14.3 -30.1 152 172 A Y S >X S- 0 0 1 -4,-1.7 3,-2.0 -5,-0.1 4,-0.6 -0.608 84.4-157.2-132.4 72.6 5.1 -12.0 -28.0 153 173 A P T 34 S+ 0 0 88 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.208 76.8 2.4 -55.4 134.0 7.8 -10.4 -30.1 154 174 A G T 34 S+ 0 0 93 -5,-0.1 -5,-0.1 2,-0.1 -4,-0.1 0.522 116.0 83.8 71.8 8.3 10.9 -9.2 -28.1 155 175 A Q T <4 + 0 0 91 -3,-2.0 2,-0.6 -6,-0.2 -1,-0.1 0.565 61.3 89.4-118.6 -15.5 9.5 -10.5 -24.8 156 176 A I < - 0 0 22 -4,-0.6 2,-0.2 -7,-0.1 -2,-0.1 -0.792 52.5-172.8 -95.5 118.9 10.4 -14.2 -24.5 157 177 A T > - 0 0 41 -2,-0.6 3,-1.6 1,-0.1 -2,-0.0 -0.491 44.3 -95.7 -96.7 176.8 13.7 -15.1 -22.9 158 178 A S T 3 S+ 0 0 86 1,-0.3 53,-0.1 -2,-0.2 -1,-0.1 0.580 121.9 63.7 -66.2 -9.8 15.4 -18.5 -22.6 159 179 A N T 3 S+ 0 0 25 48,-0.0 49,-2.8 51,-0.0 2,-0.3 0.200 97.1 66.9-101.6 16.4 13.8 -18.7 -19.1 160 180 A M E < - G 0 207B 8 -3,-1.6 2,-0.3 47,-0.3 47,-0.2 -0.949 54.0-174.8-133.5 151.9 10.2 -18.7 -20.3 161 181 A F E - G 0 206B 9 45,-2.1 45,-3.2 -2,-0.3 2,-0.4 -0.971 21.5-126.4-139.8 159.2 7.9 -21.0 -22.3 162 182 A e E + G 0 205B 0 -19,-0.4 -19,-2.8 -2,-0.3 2,-0.3 -0.817 25.9 176.5-101.6 145.1 4.4 -20.7 -23.6 163 183 A A E +FG 142 204B 0 41,-1.9 41,-1.2 -2,-0.4 2,-0.3 -0.987 37.3 50.8-146.5 143.9 1.6 -23.2 -22.9 164 185 A G S S- 0 0 2 -23,-2.2 2,-0.4 -2,-0.3 7,-0.1 -0.967 85.4 -40.7 140.6-146.4 -2.0 -23.1 -23.9 165 186 A Y > - 0 0 54 5,-0.6 3,-0.7 -2,-0.3 37,-0.3 -0.992 26.7-153.1-136.2 123.5 -4.1 -22.6 -27.0 166 187 A L T 3 S+ 0 0 57 -2,-0.4 35,-3.3 1,-0.3 36,-0.2 0.777 100.6 58.5 -66.9 -26.8 -3.5 -20.1 -29.8 167 188 A E T 3 S- 0 0 136 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.777 105.1-146.5 -71.4 -28.0 -7.2 -20.1 -30.6 168 189 A G < + 0 0 14 -3,-0.7 -1,-0.2 2,-0.2 31,-0.2 -0.379 63.6 114.3 97.6-171.5 -7.9 -19.1 -27.0 169 191 A G S S+ 0 0 42 29,-1.9 2,-0.4 -2,-0.1 30,-0.1 0.168 78.9 67.4 92.3 -19.3 -10.7 -19.8 -24.5 170 192 A K + 0 0 97 -5,-0.2 -5,-0.6 29,-0.1 2,-0.3 -0.978 62.7 113.2-140.6 122.9 -8.4 -21.7 -22.1 171 193 A D B -A 2 0A 3 -169,-1.8 -169,-2.5 -2,-0.4 2,-0.2 -0.972 60.3 -92.8-170.2 170.5 -5.6 -20.2 -20.1 172 194 A S - 0 0 8 -2,-0.3 26,-0.3 -171,-0.2 2,-0.3 -0.498 48.3-175.7 -88.0 175.7 -4.4 -19.4 -16.6 173 195 A f > - 0 0 11 -2,-0.2 3,-2.6 24,-0.1 4,-0.4 -0.936 34.4 -33.3-160.1 178.2 -5.2 -15.9 -15.3 174 196 A Q T 3 S+ 0 0 119 -2,-0.3 -51,-2.8 1,-0.3 -149,-0.1 -0.154 124.3 28.5 -44.4 131.0 -4.8 -13.3 -12.5 175 197 A G T 3 S+ 0 0 7 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.3 0.199 102.7 81.7 97.5 -16.2 -4.6 -15.1 -9.1 176 198 A D X + 0 0 0 -3,-2.6 3,-2.1 -56,-0.2 15,-0.3 0.577 64.0 125.8 -90.7 -13.4 -3.1 -18.3 -10.6 177 199 A S T 3 + 0 0 17 -4,-0.4 -151,-3.2 1,-0.3 15,-0.2 -0.114 69.5 23.7 -50.6 140.1 0.4 -16.7 -10.6 178 200 A G T 3 S+ 0 0 0 13,-2.7 -1,-0.3 1,-0.3 -150,-0.1 0.156 97.4 126.5 90.8 -16.0 3.1 -18.7 -8.8 179 201 A G < - 0 0 0 -3,-2.1 12,-2.2 1,-0.1 -1,-0.3 -0.087 60.9 -83.7 -74.8 172.5 1.2 -21.9 -9.3 180 202 A P E - H 0 190B 0 0, 0.0 -61,-1.1 0, 0.0 2,-0.5 -0.389 20.2-166.1 -85.6 147.4 2.3 -25.1 -10.9 181 203 A V E -EH 118 189B 0 8,-1.6 7,-2.4 -63,-0.2 8,-1.8 -0.966 24.9-170.6-121.5 110.9 2.6 -26.4 -14.4 182 204 A V E +EH 117 187B 14 -65,-2.5 -65,-2.9 -2,-0.5 2,-0.4 -0.915 9.9 179.8-113.1 129.2 3.2 -30.2 -14.0 183 205 A d E > S- H 0 186B 3 3,-2.4 3,-1.7 -2,-0.5 -67,-0.2 -0.995 71.6 -11.9-130.8 127.6 4.1 -32.4 -16.9 184 206 A S T 3 S- 0 0 110 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.850 129.2 -53.8 50.1 40.1 4.7 -36.2 -16.6 185 207 A G T 3 S+ 0 0 45 1,-0.2 -81,-0.6 -3,-0.0 2,-0.4 0.625 117.6 105.0 75.8 13.1 4.8 -35.9 -12.8 186 208 A K E < S-cH 104 183B 78 -3,-1.7 -3,-2.4 -83,-0.1 2,-0.8 -0.971 76.6-112.7-123.1 154.7 7.4 -33.2 -12.7 187 213 A L E + H 0 182B 0 -83,-2.7 -5,-0.2 -2,-0.4 3,-0.1 -0.578 46.1 157.1 -82.9 111.6 7.3 -29.4 -12.0 188 214 A Q E + 0 0 12 -7,-2.4 21,-2.2 -2,-0.8 22,-0.5 0.663 55.3 24.9-107.3 -20.3 8.2 -27.8 -15.3 189 215 A G E -IH 208 181B 0 -8,-1.8 -8,-1.6 19,-0.2 2,-0.4 -0.951 52.4-146.3-146.4 163.0 6.6 -24.3 -15.0 190 216 A I E -IH 207 180B 0 17,-0.8 17,-2.2 -2,-0.3 2,-0.3 -0.997 39.6-108.3-127.3 131.1 5.4 -21.6 -12.8 191 217 A V E +I 206 0B 5 -12,-2.2 -13,-2.7 -2,-0.4 15,-0.2 -0.443 56.3 152.8 -59.6 118.9 2.4 -19.4 -13.8 192 218 A S E - 0 0 4 13,-1.5 2,-0.3 1,-0.3 14,-0.2 0.787 44.8 -29.9-118.5 -63.7 4.0 -16.0 -14.6 193 219 A W E +I 205 0B 50 12,-1.9 12,-2.9 -19,-0.0 -1,-0.3 -0.938 41.8 170.7-157.6 178.5 2.3 -13.7 -17.1 194 220 A G - 0 0 29 -2,-0.3 2,-0.8 10,-0.2 10,-0.1 -0.809 45.3 -94.4 167.6 141.9 0.1 -13.2 -20.2 195 221 A S S S- 0 0 63 8,-0.4 4,-0.4 -2,-0.2 -2,-0.0 -0.630 93.1 -45.4 -80.1 107.2 -1.6 -10.5 -22.1 196 223 A G S S- 0 0 53 -2,-0.8 2,-0.3 2,-0.1 -69,-0.1 -0.343 93.9 -70.4 54.1-151.7 -5.1 -10.6 -20.6 197 224 A f S S- 0 0 15 -71,-0.3 -24,-0.1 -24,-0.1 -26,-0.1 -0.993 101.0 -5.9-135.5 136.0 -6.4 -14.1 -20.2 198 226 A A S S+ 0 0 10 -2,-0.3 -29,-1.9 -26,-0.3 2,-0.2 0.744 85.8 155.3 63.4 21.6 -7.5 -16.8 -22.9 199 227 A Q B > -P 202 0D 66 3,-0.5 3,-1.8 -4,-0.4 -1,-0.2 -0.578 53.8 -91.0 -81.5 148.1 -7.2 -14.2 -25.7 200 228 A K T 3 S+ 0 0 155 1,-0.3 -33,-0.2 -2,-0.2 -34,-0.1 -0.308 108.9 3.3 -57.6 134.3 -6.6 -15.3 -29.2 201 229 A N T 3 S+ 0 0 80 -35,-3.3 -1,-0.3 -36,-0.1 -35,-0.1 0.672 109.7 97.6 61.3 21.3 -2.8 -15.6 -30.1 202 230 A K B < +P 199 0D 63 -3,-1.8 -3,-0.5 -37,-0.3 -4,-0.3 -0.620 53.9 177.6-136.5 74.4 -1.8 -14.7 -26.5 203 231 A P - 0 0 3 0, 0.0 -8,-0.4 0, 0.0 -39,-0.2 -0.179 38.8 -81.5 -72.7 169.8 -1.1 -17.9 -24.6 204 232 A G E -G 163 0B 1 -41,-1.2 -41,-1.9 -10,-0.1 2,-0.4 -0.427 38.1-140.5 -70.8 148.1 0.2 -18.0 -21.1 205 233 A V E -GI 162 193B 1 -12,-2.9 -12,-1.9 -43,-0.2 -13,-1.5 -0.937 20.6-168.7-114.5 129.9 3.9 -17.5 -20.3 206 234 A Y E -GI 161 191B 2 -45,-3.2 -45,-2.1 -2,-0.4 2,-0.3 -0.916 28.1-107.1-123.1 146.6 5.5 -19.7 -17.7 207 235 A T E -GI 160 190B 3 -17,-2.2 2,-0.9 -2,-0.3 -17,-0.8 -0.549 36.9-123.9 -69.7 130.0 8.9 -19.7 -15.9 208 236 A K E > - I 0 189B 45 -49,-2.8 3,-0.8 -2,-0.3 -19,-0.2 -0.667 27.4-171.3 -76.1 106.5 11.0 -22.5 -17.2 209 237 A V G > S+ 0 0 0 -21,-2.2 3,-2.3 -2,-0.9 4,-0.4 0.837 74.6 70.5 -72.5 -31.0 11.8 -24.4 -14.0 210 238 A c G > S+ 0 0 20 -22,-0.5 3,-0.6 1,-0.3 4,-0.2 0.777 92.3 60.0 -59.9 -22.7 14.4 -26.8 -15.5 211 239 A N G < S+ 0 0 65 -3,-0.8 -1,-0.3 1,-0.2 4,-0.2 0.635 107.5 46.4 -75.6 -10.4 16.8 -23.8 -15.9 212 240 A Y G <> S+ 0 0 6 -3,-2.3 4,-3.0 -4,-0.2 -1,-0.2 0.333 74.7 104.4-115.2 4.4 16.7 -23.3 -12.1 213 241 A V H <> S+ 0 0 21 -3,-0.6 4,-2.6 -4,-0.4 5,-0.2 0.865 84.4 48.5 -61.3 -40.6 17.2 -26.8 -10.6 214 242 A S H > S+ 0 0 75 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 113.3 47.5 -65.1 -44.7 20.8 -26.2 -9.6 215 243 A W H > S+ 0 0 38 2,-0.2 4,-2.5 -4,-0.2 5,-0.2 0.932 112.7 49.5 -59.2 -48.3 19.9 -22.9 -8.0 216 244 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.947 112.8 46.3 -58.2 -49.5 17.0 -24.4 -6.1 217 245 A K H X S+ 0 0 124 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.911 113.9 47.6 -62.5 -42.7 19.1 -27.4 -4.9 218 246 A Q H X S+ 0 0 137 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.901 112.8 49.4 -64.2 -42.2 22.0 -25.2 -3.8 219 247 A T H >< S+ 0 0 16 -4,-2.5 3,-1.0 -5,-0.2 4,-0.4 0.938 111.6 47.4 -65.6 -46.6 19.7 -22.7 -2.0 220 248 A I H >< S+ 0 0 41 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.874 107.2 58.2 -61.1 -38.4 17.8 -25.4 -0.1 221 249 A A H 3< S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.665 114.8 35.5 -67.3 -17.9 21.0 -27.1 1.0 222 250 A S T << 0 0 104 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.269 360.0 360.0-122.2 10.4 22.3 -24.0 2.7 223 251 A N < 0 0 63 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.345 360.0 360.0-133.3 360.0 19.2 -22.4 4.2