==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUN-11 3SJ8 . COMPND 2 MOLECULE: 3C PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS A16; . AUTHOR G.LU,J.QI,Z.CHEN,X.XU,F.GAO,D.LIN,W.QIAN,H.LIU,H.JIANG,J.YAN . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 43.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 24 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 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 . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 3 2 2 3 1 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 2 0 0 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 4 A L > 0 0 121 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -75.4 -14.7 -16.1 -4.4 2 5 A D H > + 0 0 161 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.832 360.0 36.6 -91.3 -34.8 -17.5 -18.6 -4.6 3 6 A F H > S+ 0 0 32 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.873 114.9 54.8 -80.2 -44.1 -19.3 -16.1 -2.4 4 7 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.916 108.0 49.0 -57.9 -47.4 -17.8 -13.0 -4.0 5 8 A L H X S+ 0 0 55 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.903 111.5 48.3 -59.4 -44.9 -19.0 -13.9 -7.5 6 9 A S H X S+ 0 0 39 -4,-1.0 4,-2.0 2,-0.2 5,-0.3 0.891 114.0 48.4 -60.9 -41.5 -22.5 -14.6 -6.3 7 10 A L H X>S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-1.0 0.923 111.4 49.4 -63.9 -48.2 -22.4 -11.3 -4.5 8 11 A L H X5S+ 0 0 7 -4,-3.1 4,-0.9 3,-0.2 -2,-0.2 0.948 114.8 44.0 -55.0 -53.8 -21.1 -9.5 -7.5 9 12 A R H <5S+ 0 0 185 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.835 126.4 27.1 -64.8 -35.9 -23.7 -10.9 -9.8 10 13 A R H <5S+ 0 0 134 -4,-2.0 71,-0.5 -5,-0.2 -2,-0.2 0.725 132.6 20.8-104.8 -23.1 -26.8 -10.6 -7.6 11 14 A N H <5S+ 0 0 0 -4,-2.8 15,-3.3 -5,-0.3 2,-0.5 0.570 99.0 79.8-128.1 -11.6 -26.1 -7.6 -5.2 12 15 A I E << -A 25 0A 0 -5,-1.0 2,-0.3 -4,-0.9 13,-0.2 -0.910 57.4-173.0-110.8 123.0 -23.4 -5.3 -6.6 13 16 A R E -A 24 0A 53 11,-3.0 11,-1.5 -2,-0.5 2,-0.4 -0.850 28.7-118.8-119.1 148.5 -24.4 -2.7 -9.2 14 17 A Q E +A 23 0A 36 -2,-0.3 33,-2.5 9,-0.2 2,-0.3 -0.647 44.4 179.2 -79.7 131.5 -22.8 -0.2 -11.5 15 18 A V E -AB 22 46A 4 7,-2.4 7,-3.2 -2,-0.4 2,-0.4 -0.970 21.2-162.6-139.2 148.1 -24.1 3.3 -10.7 16 19 A Q E +AB 21 45A 61 29,-2.2 29,-2.3 -2,-0.3 2,-0.2 -0.994 11.2 171.3-128.5 140.1 -23.8 6.9 -11.7 17 20 A T E > -A 20 0A 5 3,-2.4 3,-1.7 -2,-0.4 27,-0.1 -0.678 58.0 -85.1-122.9-174.2 -24.8 10.0 -9.9 18 21 A D T 3 S+ 0 0 143 1,-0.3 3,-0.1 21,-0.2 21,-0.1 0.656 130.1 60.7 -64.7 -13.8 -24.1 13.7 -10.7 19 22 A Q T 3 S- 0 0 110 19,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.447 116.5-106.2 -92.5 -3.9 -20.9 13.0 -8.8 20 23 A G E < -A 17 0A 22 -3,-1.7 -3,-2.4 18,-0.1 -1,-0.3 -0.826 61.4 -8.7 119.4-155.4 -19.7 10.3 -11.2 21 24 A H E +A 16 0A 32 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.630 60.4 169.1 -90.6 141.1 -19.3 6.5 -11.2 22 25 A F E -A 15 0A 12 -7,-3.2 -7,-2.4 -2,-0.3 2,-0.4 -0.979 34.1-120.8-148.2 157.0 -19.9 4.3 -8.1 23 26 A T E -A 14 0A 0 121,-1.7 2,-0.4 -2,-0.3 -9,-0.2 -0.808 31.3-163.0 -95.8 141.2 -20.3 0.8 -6.9 24 27 A M E -A 13 0A 0 -11,-1.5 -11,-3.0 -2,-0.4 2,-0.6 -0.975 11.8-153.8-135.0 121.0 -23.5 0.0 -5.1 25 28 A L E -AC 12 33A 0 8,-1.0 8,-2.9 -2,-0.4 2,-0.5 -0.825 10.1-153.8 -87.7 119.7 -24.4 -2.9 -2.8 26 29 A G E - C 0 32A 0 -15,-3.3 6,-0.3 -2,-0.6 3,-0.1 -0.859 12.4-174.0 -88.6 129.1 -28.1 -3.6 -2.7 27 30 A V E - 0 0 0 4,-2.6 56,-2.6 -2,-0.5 57,-0.4 0.851 54.4 -26.5 -99.0 -39.7 -28.8 -5.3 0.7 28 31 A R E > S- C 0 31A 35 3,-1.4 3,-2.4 54,-0.2 -1,-0.3 -0.874 105.8 -15.3-175.7 145.5 -32.4 -6.4 0.6 29 32 A D B 3 S-G 80 0B 62 51,-1.4 51,-2.2 -2,-0.3 -1,-0.1 -0.353 127.2 -28.3 54.0-132.8 -35.7 -5.6 -1.0 30 33 A R T 3 S+ 0 0 81 49,-0.2 44,-3.0 -3,-0.1 2,-0.5 0.095 109.5 115.5-102.3 20.2 -35.2 -2.1 -2.5 31 34 A L E < +CD 28 73A 16 -3,-2.4 -4,-2.6 42,-0.2 -3,-1.4 -0.830 36.9 168.8-101.0 123.5 -32.6 -1.0 0.0 32 35 A A E -CD 26 72A 0 40,-2.8 40,-2.3 -2,-0.5 2,-0.4 -0.831 24.0-132.2-126.0 164.0 -29.1 -0.2 -1.3 33 36 A I E -CD 25 71A 1 -8,-2.9 -8,-1.0 -2,-0.3 38,-0.2 -0.969 20.5-177.7-125.8 141.3 -26.1 1.5 0.3 34 37 A L E - D 0 70A 0 36,-2.2 36,-3.4 -2,-0.4 -10,-0.1 -0.957 35.7-100.5-132.4 150.0 -23.8 4.2 -1.1 35 38 A P E > - D 0 69A 0 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.440 41.3-119.8 -62.4 141.2 -20.7 6.1 -0.1 36 39 A R G > S+ 0 0 55 32,-1.9 3,-2.0 1,-0.3 33,-0.1 0.864 107.5 63.0 -56.4 -38.8 -21.8 9.5 1.2 37 40 A H G 3 S+ 0 0 56 1,-0.3 -1,-0.3 31,-0.2 32,-0.0 0.557 85.4 73.3 -71.8 -5.0 -19.8 11.5 -1.3 38 41 A S G < S- 0 0 0 -3,-1.7 -19,-0.5 -20,-0.0 -1,-0.3 0.756 86.0-160.1 -71.5 -23.1 -21.8 10.0 -4.2 39 42 A Q < - 0 0 110 -3,-2.0 -21,-0.2 -4,-0.4 -2,-0.1 0.902 8.7-141.9 43.6 62.4 -24.6 12.3 -2.9 40 43 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.248 17.1-159.8 -53.9 133.0 -27.6 10.6 -4.5 41 44 A G - 0 0 41 2,-0.9 3,-0.1 0, 0.0 -2,-0.0 0.342 50.4 -60.7 -86.1-138.5 -30.1 13.1 -5.7 42 45 A K S S+ 0 0 178 10,-0.1 11,-3.6 1,-0.1 2,-0.3 0.640 124.3 25.1 -83.1 -17.3 -33.8 12.4 -6.4 43 46 A T E - E 0 52A 55 9,-0.3 -2,-0.9 31,-0.0 2,-0.3 -0.935 64.9-170.0-140.9 160.9 -32.7 9.9 -9.1 44 47 A I E - E 0 51A 0 7,-2.0 7,-3.0 -2,-0.3 2,-0.6 -0.950 26.5-116.9-141.9 163.2 -29.7 7.7 -9.9 45 48 A W E -BE 16 50A 92 -29,-2.3 -29,-2.2 -2,-0.3 2,-0.7 -0.933 24.2-171.4-103.5 118.0 -28.6 5.6 -12.8 46 49 A V E > S-BE 15 49A 17 3,-2.5 3,-1.8 -2,-0.6 -31,-0.2 -0.935 81.2 -23.5-106.4 111.6 -28.3 1.9 -12.1 47 50 A E T 3 S- 0 0 59 -33,-2.5 -1,-0.2 -2,-0.7 -32,-0.1 0.921 128.1 -51.2 49.4 48.6 -26.7 0.2 -15.0 48 51 A H T 3 S+ 0 0 127 1,-0.2 2,-0.5 -34,-0.2 -1,-0.3 0.339 113.2 122.1 75.0 -5.3 -27.9 3.0 -17.2 49 52 A K E < -E 46 0A 132 -3,-1.8 -3,-2.5 1,-0.0 2,-0.4 -0.764 63.5-129.8 -87.7 128.2 -31.4 2.8 -16.0 50 53 A L E -E 45 0A 104 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.674 32.7-175.4 -84.8 126.5 -32.8 5.9 -14.5 51 54 A I E -E 44 0A 33 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.2 -0.966 25.5-120.6-132.2 131.7 -34.4 5.3 -11.1 52 55 A N E -E 43 0A 88 -2,-0.4 23,-2.4 23,-0.4 2,-0.7 -0.462 21.9-138.1 -66.7 139.5 -36.3 7.3 -8.6 53 56 A V E -F 74 0A 17 -11,-3.6 21,-0.2 21,-0.2 3,-0.1 -0.900 18.3-173.7-100.3 111.9 -34.7 7.6 -5.1 54 57 A L E + 0 0 100 19,-2.7 2,-0.3 -2,-0.7 20,-0.2 0.802 68.4 1.4 -81.3 -29.4 -37.5 7.2 -2.7 55 58 A D E -F 73 0A 86 18,-1.0 18,-2.5 2,-0.0 2,-0.4 -0.966 57.3-165.6-158.4 140.1 -35.5 7.9 0.5 56 59 A A E -F 72 0A 47 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.932 8.8-172.6-134.6 110.2 -31.9 8.8 1.2 57 60 A V E -F 71 0A 62 14,-3.2 14,-3.2 -2,-0.4 2,-0.8 -0.900 16.4-146.5-107.7 116.9 -30.6 8.5 4.8 58 61 A E E -F 70 0A 95 -2,-0.6 12,-0.2 12,-0.2 -2,-0.0 -0.716 30.6-124.9 -81.7 110.6 -27.1 9.7 5.6 59 62 A L E + 0 0 16 10,-2.8 8,-2.0 -2,-0.8 10,-0.5 -0.267 35.8 172.6 -64.5 131.4 -26.0 7.3 8.3 60 63 A V E -F 66 0A 80 6,-0.2 6,-0.2 7,-0.1 2,-0.0 -0.971 22.0-128.5-133.9 155.7 -24.8 8.8 11.6 61 64 A D > - 0 0 13 4,-2.0 3,-1.5 -2,-0.3 6,-0.1 -0.129 40.8 -82.6 -92.5-169.9 -23.8 7.2 14.9 62 65 A E T 3 S+ 0 0 161 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.879 129.4 52.7 -63.6 -41.0 -24.8 7.8 18.6 63 66 A Q T 3 S- 0 0 148 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.303 121.5-110.0 -76.7 10.2 -22.4 10.7 19.0 64 67 A G < + 0 0 53 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.679 67.7 155.3 69.0 19.5 -24.0 12.2 15.8 65 68 A V - 0 0 28 1,-0.1 -4,-2.0 2,-0.0 -1,-0.2 -0.609 50.1-103.4 -86.9 137.3 -20.8 11.5 13.9 66 69 A N E - F 0 60A 5 62,-0.3 64,-1.6 -2,-0.3 -6,-0.2 -0.289 26.8-171.1 -56.8 130.0 -20.8 11.0 10.1 67 70 A L E - 0 0 4 -8,-2.0 -1,-0.1 2,-0.2 -7,-0.1 0.426 36.9-126.7-103.1 -2.8 -20.4 7.4 9.1 68 71 A E E S+ 0 0 12 -9,-0.4 -32,-1.9 1,-0.2 2,-0.4 0.783 70.5 118.4 64.5 29.8 -19.9 8.3 5.5 69 72 A L E -D 35 0A 1 -10,-0.5 -10,-2.8 -34,-0.3 2,-0.5 -0.982 48.0-158.5-128.9 140.0 -22.7 6.0 4.3 70 73 A T E -DF 34 58A 2 -36,-3.4 -36,-2.2 -2,-0.4 2,-0.6 -0.956 7.9-151.1-123.9 115.9 -26.0 6.8 2.6 71 74 A L E -DF 33 57A 20 -14,-3.2 -14,-3.2 -2,-0.5 2,-0.4 -0.734 18.8-170.3 -84.2 119.4 -29.0 4.4 2.7 72 75 A V E -DF 32 56A 0 -40,-2.3 -40,-2.8 -2,-0.6 2,-0.5 -0.930 18.1-152.1-115.4 135.5 -31.2 4.7 -0.4 73 76 A T E -DF 31 55A 46 -18,-2.5 -19,-2.7 -2,-0.4 -18,-1.0 -0.926 26.4-146.1 -99.5 125.4 -34.6 3.1 -1.0 74 77 A L E - F 0 53A 5 -44,-3.0 2,-1.7 -2,-0.5 -21,-0.2 -0.700 13.9-125.2-103.3 143.9 -35.0 2.6 -4.7 75 78 A D + 0 0 79 -23,-2.4 -23,-0.4 -2,-0.3 2,-0.3 -0.577 69.1 109.6 -86.4 78.0 -38.1 2.8 -6.9 76 79 A T - 0 0 50 -2,-1.7 -2,-0.1 1,-0.1 -25,-0.0 -0.984 62.3-139.7-146.4 153.6 -38.1 -0.7 -8.5 77 80 A N S S+ 0 0 132 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.958 80.0 86.9 -76.7 -56.1 -40.1 -3.8 -8.2 78 81 A E S S- 0 0 157 1,-0.1 2,-0.2 -48,-0.0 -2,-0.1 -0.170 73.3-144.9 -49.5 127.8 -37.3 -6.4 -8.4 79 82 A K - 0 0 124 -49,-0.1 2,-0.3 1,-0.0 -49,-0.2 -0.658 13.6-110.6 -97.0 153.7 -36.0 -6.9 -4.9 80 83 A F B -G 29 0B 30 -51,-2.2 -51,-1.4 -2,-0.2 2,-0.2 -0.609 38.6-100.4 -78.4 141.5 -32.4 -7.6 -3.9 81 84 A R - 0 0 55 -71,-0.5 2,-0.5 -2,-0.3 -1,-0.1 -0.467 50.3-106.5 -54.8 127.1 -31.4 -11.0 -2.7 82 85 A D + 0 0 81 -2,-0.2 -54,-0.2 1,-0.1 3,-0.2 -0.499 47.5 168.9 -68.9 115.3 -31.3 -10.5 1.1 83 86 A V > + 0 0 0 -56,-2.6 3,-1.6 -2,-0.5 4,-0.2 0.167 41.9 110.3-112.4 16.5 -27.6 -10.5 2.2 84 87 A T G > S+ 0 0 30 -57,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.810 70.4 66.1 -63.0 -26.8 -28.1 -9.2 5.8 85 88 A K G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.735 97.5 54.2 -69.1 -16.6 -27.1 -12.6 7.1 86 89 A F G < S+ 0 0 49 -3,-1.6 68,-2.7 67,-0.1 -1,-0.3 0.387 91.7 90.7 -95.1 0.9 -23.6 -12.1 5.7 87 90 A I S < S- 0 0 0 -3,-1.7 68,-0.1 66,-0.2 86,-0.1 -0.896 79.5-123.6-103.2 125.0 -23.2 -8.8 7.5 88 91 A P - 0 0 18 0, 0.0 85,-1.4 0, 0.0 86,-0.2 -0.332 7.1-133.3 -68.6 141.2 -21.7 -8.9 11.0 89 92 A E S S+ 0 0 121 83,-0.2 85,-0.4 84,-0.1 2,-0.4 0.874 95.7 41.5 -55.1 -41.8 -23.5 -7.5 14.1 90 93 A T S S- 0 0 104 82,-0.1 2,-0.3 83,-0.1 81,-0.1 -0.891 102.0 -96.3-117.3 140.9 -20.3 -5.7 15.1 91 94 A I - 0 0 23 -2,-0.4 2,-0.4 79,-0.1 81,-0.1 -0.365 54.0-177.3 -58.1 118.0 -17.7 -3.9 12.9 92 95 A T - 0 0 38 79,-0.3 79,-0.2 -2,-0.3 41,-0.0 -0.953 20.8-143.8-130.8 136.1 -15.0 -6.5 12.2 93 96 A G - 0 0 27 -2,-0.4 2,-0.3 77,-0.1 24,-0.2 -0.062 20.3-146.3 -82.1-171.0 -11.7 -6.5 10.4 94 97 A A E -H 116 0C 18 22,-2.1 22,-2.7 1,-0.1 3,-0.3 -0.995 19.5-132.2-161.1 159.5 -10.3 -9.4 8.3 95 98 A S E S+ 0 0 102 -2,-0.3 -1,-0.1 20,-0.2 22,-0.0 0.720 100.7 16.1 -88.4 -23.8 -7.1 -11.2 7.3 96 99 A D E S+ 0 0 131 19,-0.1 19,-0.2 20,-0.1 -1,-0.2 -0.269 80.1 177.9-150.7 55.2 -7.5 -11.5 3.6 97 100 A A E -H 114 0C 1 17,-2.0 17,-0.9 -3,-0.3 16,-0.6 -0.112 18.4-146.0 -67.6 156.3 -10.2 -9.2 2.3 98 101 A T E -HI 112 149C 23 51,-2.3 51,-2.7 14,-0.2 2,-0.7 -0.993 8.4-144.4-121.6 127.3 -11.3 -8.7 -1.3 99 102 A L E -HI 111 148C 0 12,-3.1 12,-2.4 -2,-0.4 2,-0.7 -0.820 15.4-155.2 -89.9 115.4 -12.5 -5.3 -2.6 100 103 A I E -HI 110 147C 0 47,-3.3 47,-2.6 -2,-0.7 2,-0.4 -0.830 14.2-177.4 -96.6 115.9 -15.3 -5.8 -5.1 101 104 A I E +H 109 0C 0 8,-2.6 8,-3.0 -2,-0.7 2,-0.2 -0.905 10.1 172.1-114.8 139.7 -15.7 -2.9 -7.5 102 105 A N + 0 0 8 -2,-0.4 -78,-0.3 6,-0.2 2,-0.2 -0.618 22.8 130.1-150.8 84.4 -18.3 -2.7 -10.3 103 106 A T - 0 0 2 3,-1.7 -89,-0.1 -89,-0.2 5,-0.1 -0.718 69.8 -98.6-121.3 178.3 -18.7 0.5 -12.2 104 107 A E S S+ 0 0 85 -2,-0.2 -88,-0.0 -89,-0.2 -90,-0.0 0.851 126.3 42.9 -67.1 -34.5 -18.8 1.2 -15.9 105 108 A H S S+ 0 0 131 1,-0.3 -1,-0.2 37,-0.1 37,-0.0 0.885 125.9 32.1 -79.1 -39.8 -15.1 2.0 -15.9 106 109 A M S S- 0 0 44 36,-0.2 -3,-1.7 3,-0.0 3,-0.4 -0.716 86.4-167.7-119.0 81.3 -14.1 -0.8 -13.6 107 110 A P - 0 0 75 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 -0.474 59.8 -19.8 -77.3 135.7 -16.5 -3.7 -14.4 108 111 A S S S+ 0 0 76 -2,-0.2 2,-0.4 1,-0.1 -6,-0.2 0.865 88.4 166.2 40.0 68.7 -16.7 -6.8 -12.2 109 112 A M E -H 101 0C 65 -8,-3.0 -8,-2.6 -3,-0.4 2,-0.5 -0.941 29.9-158.4-124.8 135.4 -13.4 -6.4 -10.5 110 113 A F E -H 100 0C 53 -2,-0.4 -10,-0.2 -10,-0.2 -12,-0.0 -0.947 8.6-166.6-111.3 126.1 -11.8 -8.1 -7.5 111 114 A V E -H 99 0C 12 -12,-2.4 -12,-3.1 -2,-0.5 2,-1.6 -0.937 17.0-143.6-116.7 110.6 -9.0 -6.4 -5.7 112 115 A P E +H 98 0C 98 0, 0.0 -14,-0.2 0, 0.0 3,-0.1 -0.581 27.9 171.2 -69.3 89.4 -6.9 -8.4 -3.1 113 116 A V E - 0 0 4 -2,-1.6 2,-0.4 -16,-0.6 23,-0.2 0.459 31.9-143.5 -84.8 -3.7 -6.4 -5.5 -0.7 114 117 A G E +H 97 0C 25 -17,-0.9 -17,-2.0 21,-0.1 2,-0.4 -0.642 57.8 15.7 87.8-128.5 -4.9 -7.8 1.9 115 118 A D E - 0 0 82 -2,-0.4 2,-0.6 -19,-0.2 21,-0.6 -0.698 62.2-150.1 -90.0 131.7 -5.5 -7.3 5.7 116 119 A V E -HJ 94 135C 2 -22,-2.7 -22,-2.1 -2,-0.4 2,-0.3 -0.912 21.3-166.8-104.0 118.1 -8.4 -5.0 6.8 117 120 A V E - J 0 134C 64 17,-3.3 17,-2.8 -2,-0.6 2,-0.3 -0.717 28.8-101.4-108.7 153.4 -7.6 -3.4 10.1 118 121 A Q E + J 0 133C 97 -2,-0.3 15,-0.2 15,-0.2 -1,-0.0 -0.534 46.7 161.5 -69.4 125.7 -9.6 -1.5 12.7 119 122 A Y E - 0 0 104 13,-1.9 2,-0.7 -2,-0.3 14,-0.2 0.736 14.4-175.2-119.0 -42.6 -8.8 2.1 12.2 120 123 A G E + J 0 132C 24 12,-3.0 12,-2.0 10,-0.1 -1,-0.1 -0.681 55.0 44.3 86.9-113.7 -11.6 4.2 13.8 121 124 A F E + 0 0 112 -2,-0.7 2,-0.3 10,-0.1 9,-0.2 -0.398 62.6 172.9 -74.6 145.6 -11.4 7.9 13.4 122 125 A L E - J 0 129C 16 7,-1.4 7,-1.8 -2,-0.1 2,-1.0 -0.978 31.4-140.0-154.8 135.5 -10.6 9.3 9.9 123 126 A N E > - J 0 128C 90 -2,-0.3 2,-1.0 5,-0.2 3,-0.5 -0.704 24.6-166.5-101.3 83.1 -10.6 12.8 8.5 124 127 A L E > S- J 0 127C 27 3,-1.2 3,-1.8 -2,-1.0 -2,-0.0 -0.574 71.8 -35.2 -76.0 101.1 -12.1 12.3 5.1 125 128 A S T 3 S- 0 0 128 -2,-1.0 -1,-0.3 1,-0.3 -2,-0.0 0.733 124.8 -46.0 60.8 24.2 -11.5 15.5 3.1 126 129 A G T < S+ 0 0 49 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 -0.078 118.1 105.4 109.5 -31.9 -11.9 17.6 6.2 127 130 A K E < S-J 124 0C 96 -3,-1.8 -3,-1.2 -4,-0.1 -1,-0.3 -0.727 71.8-121.2 -89.1 129.3 -15.0 15.9 7.6 128 131 A P E -J 123 0C 48 0, 0.0 -62,-0.3 0, 0.0 2,-0.3 -0.307 31.4-171.2 -67.4 145.2 -14.7 13.6 10.6 129 132 A T E -J 122 0C 0 -7,-1.8 -7,-1.4 -64,-0.1 2,-0.3 -0.957 7.3-148.5-138.6 154.4 -15.8 10.0 10.2 130 133 A H E + 0 0 41 -64,-1.6 40,-0.3 -2,-0.3 -9,-0.1 -0.819 67.1 25.6-121.5 161.7 -16.2 7.1 12.6 131 134 A R E S+ 0 0 41 -2,-0.3 39,-2.3 1,-0.2 2,-0.2 0.828 76.7 157.5 62.3 36.6 -16.0 3.3 12.5 132 135 A T E -JK 120 169C 0 -12,-2.0 -12,-3.0 37,-0.2 -13,-1.9 -0.558 25.4-160.5 -87.8 155.9 -13.5 3.2 9.6 133 136 A M E -JK 118 168C 0 35,-1.8 35,-2.0 -14,-0.2 2,-0.3 -0.830 11.2-140.4-125.2 170.1 -11.2 0.3 8.9 134 137 A M E -JK 117 167C 22 -17,-2.8 -17,-3.3 -2,-0.3 2,-0.3 -0.943 13.2-169.0-137.4 152.4 -8.0 0.3 6.8 135 138 A Y E -JK 116 166C 0 31,-1.6 31,-2.2 -2,-0.3 2,-1.8 -0.998 29.9-122.5-140.2 140.3 -6.1 -1.7 4.2 136 139 A N + 0 0 114 -21,-0.6 29,-0.2 -2,-0.3 -21,-0.1 -0.565 69.8 113.9 -83.2 78.8 -2.6 -1.3 2.8 137 140 A F S S- 0 0 61 -2,-1.8 2,-0.3 27,-0.1 26,-0.1 -0.961 77.7-108.0-150.0 130.0 -3.4 -1.1 -0.9 138 141 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 26,-0.2 -0.469 46.4-163.9 -55.8 112.8 -2.9 1.9 -3.2 139 142 A T - 0 0 8 -2,-0.3 24,-0.3 26,-0.2 2,-0.3 -0.884 1.6-153.8 -94.3 139.1 -6.7 2.6 -3.5 140 143 A K > - 0 0 126 -2,-0.4 3,-1.0 1,-0.1 4,-0.0 -0.766 23.5 -94.4-109.9 160.9 -7.7 4.9 -6.4 141 144 A A T 3 S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.2 19,-0.0 -0.329 108.2 49.0 -63.9 156.7 -10.7 7.2 -7.0 142 145 A G T 3 S+ 0 0 29 -121,-0.1 -1,-0.2 -119,-0.0 -36,-0.2 0.409 90.2 87.1 87.3 -2.8 -13.6 5.6 -8.8 143 146 A Q X + 0 0 14 -3,-1.0 3,-1.9 -42,-0.1 15,-0.2 0.320 56.5 127.8-106.2 3.9 -13.5 2.7 -6.4 144 147 A C T 3 + 0 0 12 1,-0.3 -121,-1.7 -123,-0.2 15,-0.2 -0.422 69.9 29.3 -63.5 130.5 -15.7 4.4 -3.9 145 148 A G T 3 S+ 0 0 1 13,-2.8 -1,-0.3 1,-0.3 -120,-0.2 0.205 85.9 148.4 99.1 -13.2 -18.7 2.2 -2.9 146 149 A G < - 0 0 0 -3,-1.9 12,-2.8 12,-0.2 2,-0.5 -0.181 48.4-118.6 -53.5 147.3 -16.6 -0.9 -3.5 147 150 A V E -IL 100 157C 0 -47,-2.6 -47,-3.3 10,-0.2 2,-0.7 -0.821 15.6-149.1-102.7 123.2 -17.5 -3.8 -1.3 148 151 A V E +IL 99 156C 0 8,-2.5 7,-2.5 -2,-0.5 8,-1.1 -0.790 26.5 178.8 -91.3 115.8 -15.0 -5.3 1.1 149 152 A T E -IL 98 154C 3 -51,-2.7 -51,-2.3 -2,-0.7 5,-0.2 -0.822 17.3-174.1-118.3 155.9 -15.7 -9.0 1.6 150 153 A S - 0 0 31 3,-2.9 2,-1.7 -2,-0.3 3,-0.2 -0.482 64.1 -41.5-120.0-160.8 -14.1 -11.9 3.6 151 154 A V S S- 0 0 150 1,-0.3 3,-0.1 -2,-0.2 -54,-0.0 -0.521 128.6 -26.8 -70.6 91.2 -15.0 -15.6 3.6 152 155 A G S S+ 0 0 24 -2,-1.7 2,-0.4 1,-0.2 -1,-0.3 0.488 119.4 107.6 82.8 4.1 -18.8 -15.2 3.5 153 156 A K - 0 0 102 -3,-0.2 -3,-2.9 -66,-0.0 2,-0.6 -0.943 56.4-153.0-119.0 138.9 -18.8 -11.8 5.2 154 157 A I E +L 149 0C 0 -68,-2.7 -5,-0.2 -2,-0.4 3,-0.1 -0.937 27.5 165.2-102.0 113.8 -19.5 -8.3 3.9 155 158 A I E - 0 0 1 -7,-2.5 16,-1.9 -2,-0.6 2,-0.3 0.604 47.5 -4.4-112.6 -14.7 -17.5 -6.1 6.2 156 159 A G E -LM 148 170C 0 -8,-1.1 -8,-2.5 14,-0.2 2,-0.5 -1.000 47.2-122.2-171.4 167.9 -17.3 -2.6 4.6 157 160 A I E -LM 147 169C 1 12,-1.7 12,-2.7 -2,-0.3 -10,-0.2 -0.987 38.9-117.9-124.3 120.3 -17.9 -0.1 1.9 158 161 A H E + M 0 168C 1 -12,-2.8 -13,-2.8 -2,-0.5 10,-0.3 -0.340 37.7 168.8 -57.1 126.8 -14.8 1.7 0.4 159 162 A I E - 0 0 1 8,-2.6 2,-0.3 1,-0.3 9,-0.2 0.442 54.7 -43.5-121.9 -3.2 -15.2 5.5 1.1 160 163 A G E - M 0 167C 9 7,-1.2 7,-2.9 -17,-0.1 -1,-0.3 -0.989 46.6-134.7 164.0-171.1 -11.7 6.9 0.2 161 164 A G E - M 0 166C 39 -2,-0.3 5,-0.2 5,-0.3 -27,-0.0 -0.975 17.0-137.9-170.7 162.4 -8.0 6.6 0.3 162 165 A N - 0 0 67 3,-2.0 2,-0.4 -2,-0.3 4,-0.1 0.155 64.0 -93.4-116.3 15.9 -4.7 8.5 1.0 163 166 A G S S+ 0 0 45 2,-0.5 -24,-0.2 -24,-0.3 3,-0.1 -0.451 122.9 42.3 107.1 -57.5 -2.7 7.0 -1.9 164 167 A R S S+ 0 0 161 -2,-0.4 2,-0.4 -26,-0.2 -27,-0.1 0.658 116.7 46.3 -94.4 -21.0 -1.1 4.2 -0.0 165 168 A Q - 0 0 25 -29,-0.2 -3,-2.0 -26,-0.1 -2,-0.5 -0.957 66.0-143.3-131.7 142.0 -4.1 3.1 1.9 166 169 A G E -KM 135 161C 0 -31,-2.2 -31,-1.6 -2,-0.4 2,-0.4 -0.739 18.6-152.1 -95.6 149.4 -7.7 2.4 1.3 167 170 A F E -KM 134 160C 5 -7,-2.9 -8,-2.6 -2,-0.3 -7,-1.2 -0.969 11.1-172.1-126.2 139.3 -10.4 3.3 3.8 168 171 A C E -KM 133 158C 0 -35,-2.0 -35,-1.8 -2,-0.4 2,-0.4 -0.932 26.1-120.6-126.8 153.2 -13.8 1.7 4.4 169 172 A A E -KM 132 157C 1 -12,-2.7 -12,-1.7 -2,-0.3 -37,-0.2 -0.778 39.8-118.5 -83.2 130.1 -16.9 2.3 6.4 170 173 A G E - M 0 156C 2 -39,-2.3 2,-0.5 -2,-0.4 -14,-0.2 -0.481 24.6-135.4 -71.4 143.5 -17.5 -0.5 8.7 171 174 A L - 0 0 0 -16,-1.9 2,-0.4 -79,-0.2 -79,-0.3 -0.889 19.3-175.0-106.3 126.9 -20.8 -2.4 8.3 172 175 A K > - 0 0 58 -2,-0.5 3,-1.6 -81,-0.1 -83,-0.2 -0.945 30.7-130.3-112.6 142.6 -23.1 -3.4 11.1 173 176 A R G > S+ 0 0 85 -85,-1.4 3,-2.0 -2,-0.4 -84,-0.1 0.832 103.2 69.4 -58.7 -33.1 -26.2 -5.5 10.5 174 177 A G G > S+ 0 0 60 -85,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.660 81.9 72.3 -61.5 -20.1 -28.2 -3.0 12.5 175 178 A Y G < S+ 0 0 35 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.711 98.5 50.5 -64.2 -20.6 -27.9 -0.4 9.9 176 179 A F G < S+ 0 0 3 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.138 76.5 134.1-114.1 19.5 -30.3 -2.4 7.7 177 180 A A < - 0 0 63 -3,-1.1 2,-0.1 1,-0.1 -3,-0.0 -0.347 66.4 -99.1 -62.3 144.0 -33.2 -3.0 10.1 178 181 A S 0 0 94 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.406 360.0 360.0 -62.8 143.9 -36.6 -2.5 8.8 179 182 A E 0 0 242 -3,-0.1 -2,-0.1 -2,-0.1 0, 0.0 0.064 360.0 360.0 24.8 360.0 -37.9 0.8 9.9