==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-11 3ZZ5 . COMPND 2 MOLECULE: 3C PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS; . AUTHOR J.TAN,K.ANAND,J.R.MESTERS,R.HILGENFELD . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 43.6 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 . 0 0.0 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 . 20 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 7.2 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 0 0 0 0 0 0 0 1 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 . 1 1 2 2 3 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 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 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 0 A M > 0 0 126 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -16.5 -27.3 -13.2 -22.5 2 1 A G H > + 0 0 43 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.918 360.0 48.6 -47.5 -54.5 -28.9 -14.2 -19.2 3 2 A P H > S+ 0 0 72 0, 0.0 4,-3.4 0, 0.0 -1,-0.2 0.913 111.6 51.2 -54.6 -43.2 -25.7 -15.8 -17.9 4 3 A A H > S+ 0 0 2 2,-0.2 4,-4.0 1,-0.2 -2,-0.2 0.952 110.6 48.0 -60.2 -45.4 -23.8 -12.6 -18.9 5 4 A F H X S+ 0 0 106 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.939 113.2 49.3 -57.9 -45.7 -26.4 -10.5 -17.0 6 5 A E H X S+ 0 0 148 -4,-3.2 4,-1.9 -5,-0.3 5,-0.3 0.954 113.5 43.7 -61.7 -52.1 -26.1 -12.8 -14.0 7 6 A F H X S+ 0 0 36 -4,-3.4 4,-3.2 -5,-0.2 5,-0.3 0.979 114.8 52.9 -54.6 -48.0 -22.3 -12.7 -14.1 8 7 A A H X S+ 0 0 0 -4,-4.0 4,-3.3 -5,-0.2 5,-0.2 0.919 108.8 47.7 -51.8 -49.1 -22.6 -8.8 -14.6 9 8 A V H X S+ 0 0 42 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.904 114.6 45.5 -64.3 -45.2 -24.9 -8.2 -11.6 10 9 A A H X S+ 0 0 56 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.908 114.5 48.7 -62.9 -46.1 -22.7 -10.3 -9.3 11 10 A M H X S+ 0 0 3 -4,-3.2 4,-3.5 -5,-0.3 5,-0.4 0.977 113.9 45.9 -57.7 -53.2 -19.5 -8.6 -10.6 12 11 A M H X S+ 0 0 2 -4,-3.3 4,-2.1 -5,-0.3 -2,-0.2 0.943 112.4 50.3 -57.0 -49.2 -21.0 -5.1 -10.2 13 12 A K H < S+ 0 0 177 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.872 119.5 38.4 -55.3 -40.2 -22.3 -5.9 -6.8 14 13 A R H < S+ 0 0 164 -4,-2.4 71,-0.3 -5,-0.2 -2,-0.2 0.895 131.4 15.0 -79.4 -43.4 -18.9 -7.2 -5.7 15 14 A N H < S+ 0 0 3 -4,-3.5 15,-3.3 -5,-0.2 2,-0.2 0.525 100.0 89.0-118.5 -3.0 -16.3 -5.0 -7.3 16 15 A S E < +A 29 0A 20 -4,-2.1 2,-0.3 -5,-0.4 13,-0.2 -0.566 39.4 169.0-106.2 158.6 -17.9 -1.8 -8.6 17 16 A S E -A 28 0A 3 11,-1.8 11,-2.8 -2,-0.2 2,-0.5 -0.970 37.2-103.1-157.7 162.0 -18.5 1.7 -7.0 18 17 A T E -A 27 0A 22 -2,-0.3 33,-2.8 9,-0.2 2,-0.4 -0.839 38.2-166.8 -93.8 129.6 -19.6 5.2 -8.1 19 18 A V E -AB 26 50A 0 7,-3.4 7,-3.6 -2,-0.5 2,-0.5 -0.948 9.7-159.5-123.1 134.7 -16.8 7.6 -8.2 20 19 A K E +AB 25 49A 123 29,-2.2 29,-2.5 -2,-0.4 2,-0.2 -0.954 17.2 167.0-114.4 130.4 -16.9 11.4 -8.4 21 20 A T E > -A 24 0A 14 3,-2.8 3,-1.3 -2,-0.5 27,-0.1 -0.721 57.0 -92.0-121.3-177.9 -13.9 13.5 -9.6 22 21 A E T 3 S+ 0 0 122 21,-0.3 3,-0.1 1,-0.3 21,-0.1 0.678 127.1 57.5 -73.0 -12.0 -13.6 17.1 -10.7 23 22 A Y T 3 S- 0 0 148 19,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.457 120.2 -80.8 -98.1 -2.1 -14.3 15.8 -14.2 24 23 A G E < -A 21 0A 28 -3,-1.3 -3,-2.8 18,-0.2 2,-0.4 -0.899 57.5 -46.6 139.5-166.2 -17.6 14.0 -13.4 25 24 A E E +A 20 0A 52 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.912 55.8 179.7-110.9 133.5 -19.2 10.9 -12.0 26 25 A F E -A 19 0A 15 -7,-3.6 -7,-3.4 -2,-0.4 2,-0.3 -0.923 33.6-115.8-133.3 150.3 -17.9 7.5 -13.1 27 26 A T E -A 18 0A 0 121,-1.3 2,-0.4 -2,-0.3 -9,-0.2 -0.683 37.9-159.2 -73.1 141.3 -18.4 3.8 -12.6 28 27 A M E -A 17 0A 0 -11,-2.8 -11,-1.8 -2,-0.3 2,-0.6 -0.991 9.1-152.2-130.8 132.9 -15.2 2.3 -11.0 29 28 A L E -AC 16 37A 0 8,-1.1 8,-1.6 -2,-0.4 2,-0.4 -0.913 10.2-145.8-105.4 112.7 -14.0 -1.3 -11.0 30 29 A G E - C 0 36A 0 -15,-3.3 6,-0.3 -2,-0.6 3,-0.1 -0.679 18.3-176.3 -68.4 127.4 -11.9 -2.5 -8.1 31 30 A I E - 0 0 0 4,-2.4 56,-3.3 1,-0.4 57,-0.4 0.886 54.7 -35.4 -99.5 -58.1 -9.4 -5.1 -9.5 32 31 A Y E > S- C 0 35A 34 3,-1.2 3,-2.0 54,-0.3 -1,-0.4 -0.927 110.3 -7.0-157.9 153.7 -7.4 -6.6 -6.6 33 32 A D B 3 S-N 84 0B 42 51,-1.1 51,-4.4 -2,-0.3 44,-0.0 -0.319 124.2 -37.3 66.6-131.2 -6.1 -5.0 -3.4 34 33 A R T 3 S+ 0 0 53 49,-0.2 44,-2.5 2,-0.1 2,-0.5 0.083 108.4 112.0-119.1 17.9 -6.7 -1.3 -3.4 35 34 A W E < +CD 32 77A 26 -3,-2.0 -4,-2.4 42,-0.2 -3,-1.2 -0.850 38.2 165.1 -91.7 129.2 -6.0 -0.8 -7.1 36 35 A A E -CD 30 76A 0 40,-2.2 40,-2.5 -2,-0.5 2,-0.3 -0.735 25.7-127.2-129.0 176.4 -9.0 0.2 -9.2 37 36 A V E -CD 29 75A 1 -8,-1.6 -8,-1.1 -2,-0.2 38,-0.2 -0.967 18.7-178.4-130.5 148.9 -9.3 1.6 -12.7 38 37 A L E - D 0 74A 0 36,-2.3 36,-2.6 -2,-0.3 -10,-0.1 -0.940 44.0 -89.6-134.9 156.3 -11.1 4.6 -14.3 39 38 A P E > - D 0 73A 0 0, 0.0 3,-2.1 0, 0.0 34,-0.3 -0.413 47.0-115.1 -62.1 148.4 -11.3 5.8 -17.9 40 39 A R G > S+ 0 0 52 32,-1.6 3,-2.3 1,-0.3 33,-0.1 0.943 112.5 64.5 -59.7 -46.1 -8.3 8.2 -18.4 41 40 A H G 3 S+ 0 0 51 1,-0.3 -1,-0.3 31,-0.2 32,-0.0 0.314 78.4 81.1 -58.3 8.9 -10.5 11.2 -18.9 42 41 A A G < S- 0 0 0 -3,-2.1 -19,-0.5 2,-0.1 -1,-0.3 0.547 80.3-165.4 -80.9 -6.3 -11.8 10.8 -15.3 43 42 A K < - 0 0 85 -3,-2.3 -21,-0.3 1,-0.2 2,-0.2 0.798 13.0-148.4 11.7 74.9 -8.5 12.6 -14.8 44 43 A P - 0 0 22 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.431 8.7-148.2 -65.0 131.9 -8.6 11.8 -11.1 45 44 A G - 0 0 16 2,-0.4 12,-0.0 -3,-0.2 -3,-0.0 0.046 43.6 -69.6 -72.8-167.6 -7.0 14.4 -8.9 46 45 A P S S+ 0 0 114 0, 0.0 11,-1.7 0, 0.0 2,-0.3 0.604 120.5 33.6 -65.0 -19.6 -5.2 13.8 -5.5 47 46 A T E - E 0 56A 44 9,-0.2 -2,-0.4 2,-0.0 2,-0.3 -0.998 69.5-168.3-137.5 147.4 -8.6 12.9 -3.8 48 47 A I E - E 0 55A 2 7,-3.2 7,-3.6 -2,-0.3 2,-0.5 -0.930 24.1-122.2-128.1 157.2 -11.8 11.2 -5.0 49 48 A L E -BE 20 54A 54 -29,-2.5 -29,-2.2 -2,-0.3 2,-0.5 -0.879 28.0-174.6 -90.6 127.0 -15.4 10.5 -3.9 50 49 A M E > S-BE 19 53A 10 3,-2.2 3,-1.6 -2,-0.5 -31,-0.2 -0.993 76.3 -22.0-126.4 119.4 -16.1 6.9 -3.7 51 50 A N T 3 S- 0 0 92 -33,-2.8 -1,-0.1 -2,-0.5 -32,-0.1 0.869 131.1 -49.1 37.1 49.2 -19.7 6.1 -2.9 52 51 A D T 3 S+ 0 0 153 -34,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.520 116.8 113.2 78.5 13.3 -20.0 9.6 -1.4 53 52 A Q E < S-E 50 0A 139 -3,-1.6 -3,-2.2 2,-0.0 2,-0.3 -0.956 72.1-115.3-123.9 129.3 -16.8 9.4 0.7 54 53 A E E -E 49 0A 151 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.447 39.7-177.8 -64.6 117.2 -13.6 11.3 0.4 55 54 A V E -E 48 0A 13 -7,-3.6 -7,-3.2 -2,-0.3 2,-0.3 -0.945 23.4-123.4-120.3 138.3 -10.8 8.7 -0.5 56 55 A G E -EF 47 79A 19 23,-0.7 23,-4.6 -2,-0.4 2,-0.7 -0.656 14.8-141.1 -87.5 136.7 -7.1 9.4 -1.0 57 56 A V E - F 0 78A 23 -11,-1.7 21,-0.2 -2,-0.3 3,-0.1 -0.856 16.9-176.4-101.1 105.3 -5.4 8.5 -4.3 58 57 A L E - 0 0 106 19,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.855 67.4 -1.8 -70.0 -36.5 -1.9 7.2 -3.6 59 58 A D E - F 0 77A 69 18,-0.9 18,-1.9 2,-0.0 2,-0.4 -0.985 57.8-157.9-160.4 149.3 -0.8 6.7 -7.1 60 59 A A E - F 0 76A 45 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.932 4.0-168.7-147.2 116.9 -2.2 7.1 -10.7 61 60 A K E - F 0 75A 99 14,-2.3 14,-2.0 -2,-0.4 2,-0.9 -0.907 7.4-160.1-117.5 107.3 -0.9 5.3 -13.8 62 61 A E E - F 0 74A 113 -2,-0.6 12,-0.3 12,-0.2 -2,-0.0 -0.780 31.1-130.2 -89.8 104.9 -2.2 6.6 -17.1 63 62 A L E + 0 0 33 10,-2.8 8,-1.6 -2,-0.9 9,-0.7 -0.237 30.8 174.9 -74.0 141.3 -1.5 3.6 -19.4 64 63 A V E - F 0 70A 83 6,-0.2 6,-0.2 7,-0.2 5,-0.1 -0.984 32.1-112.7-140.6 146.8 0.2 3.7 -22.7 65 64 A D > - 0 0 16 4,-2.3 3,-2.1 -2,-0.3 6,-0.1 -0.249 50.3 -91.0 -70.9 166.1 1.4 1.0 -25.2 66 65 A K T 3 S+ 0 0 221 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.804 129.8 57.1 -60.0 -27.5 5.1 0.6 -25.6 67 66 A D T 3 S- 0 0 140 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.068 121.6-107.1 -81.7 22.1 5.0 3.2 -28.5 68 67 A G < + 0 0 46 -3,-2.1 -2,-0.1 1,-0.2 3,-0.1 0.272 68.7 152.2 68.0 -13.5 3.4 5.7 -26.1 69 68 A T - 0 0 32 -5,-0.1 -4,-2.3 1,-0.1 -1,-0.2 -0.197 53.3-102.0 -56.3 141.1 0.0 5.4 -27.8 70 69 A N E +gF 133 64A 16 62,-1.1 64,-2.4 -6,-0.2 -6,-0.2 -0.352 35.4 178.4 -67.3 135.6 -2.9 6.2 -25.5 71 70 A L E - 0 0 3 -8,-1.6 -7,-0.2 62,-0.2 -1,-0.2 0.492 42.0-129.3-111.3 -17.4 -4.8 3.2 -24.2 72 71 A E E + 0 0 5 -9,-0.7 -32,-1.6 1,-0.2 2,-0.4 0.835 61.9 118.1 82.3 41.5 -7.1 5.5 -22.2 73 72 A L E -D 39 0A 1 -10,-0.4 -10,-2.8 -34,-0.3 2,-0.4 -1.000 43.3-159.7-142.7 140.3 -7.0 4.0 -18.7 74 73 A T E -DF 38 62A 1 -36,-2.6 -36,-2.3 -2,-0.4 2,-0.5 -0.953 9.2-154.1-118.1 132.7 -5.8 5.3 -15.4 75 74 A L E -DF 37 61A 5 -14,-2.0 -14,-2.3 -2,-0.4 2,-0.4 -0.916 14.4-166.9-103.7 134.2 -5.0 2.9 -12.5 76 75 A L E -DF 36 60A 0 -40,-2.5 -40,-2.2 -2,-0.5 2,-0.5 -0.983 17.2-148.0-129.2 129.7 -5.3 4.3 -9.0 77 76 A K E -DF 35 59A 44 -18,-1.9 -19,-2.1 -2,-0.4 -18,-0.9 -0.821 30.3-138.1 -87.9 133.4 -4.1 2.9 -5.7 78 77 A L E - F 0 57A 1 -44,-2.5 2,-2.8 -2,-0.5 -21,-0.2 -0.832 9.6-131.3-110.2 123.6 -6.6 3.9 -3.1 79 78 A N E S+ F 0 56A 107 -23,-4.6 -23,-0.7 -2,-0.5 2,-0.3 -0.346 72.9 101.0 -65.6 73.8 -5.9 5.2 0.4 80 79 A R - 0 0 61 -2,-2.8 -2,-0.1 -25,-0.1 -25,-0.0 -0.959 68.6-132.4-146.8 164.9 -8.3 2.9 2.3 81 80 A N S S+ 0 0 146 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.826 75.7 92.0 -93.0 -33.5 -7.9 -0.3 4.2 82 81 A E S S- 0 0 140 1,-0.1 2,-0.4 -48,-0.0 -2,-0.1 -0.354 71.6-134.2 -60.0 142.0 -10.5 -2.7 2.8 83 82 A K - 0 0 124 -49,-0.0 2,-0.3 -53,-0.0 -49,-0.2 -0.836 10.8-120.0-107.0 139.8 -9.2 -4.8 -0.1 84 83 A F B -N 33 0B 22 -51,-4.4 -51,-1.1 -2,-0.4 -49,-0.1 -0.529 37.3-101.8 -72.9 131.9 -11.0 -5.4 -3.4 85 84 A R - 0 0 74 -71,-0.3 2,-0.7 -2,-0.3 -1,-0.1 -0.267 45.6-108.1 -47.6 137.1 -11.8 -9.0 -4.3 86 85 A D + 0 0 80 1,-0.1 -54,-0.3 -54,-0.1 3,-0.2 -0.647 47.0 166.6 -77.6 114.5 -9.1 -10.1 -6.8 87 86 A I >> + 0 0 1 -56,-3.3 3,-2.7 -2,-0.7 4,-0.6 0.255 38.4 114.7-111.2 12.3 -10.7 -10.4 -10.2 88 87 A R G >4 S+ 0 0 56 -57,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.771 71.6 61.6 -54.8 -30.6 -7.5 -10.6 -12.3 89 88 A G G 34 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.596 99.0 57.8 -71.2 -11.8 -8.4 -14.1 -13.4 90 89 A F G <4 S+ 0 0 68 -3,-2.7 68,-2.0 67,-0.1 2,-0.4 0.637 94.2 83.1 -84.2 -19.9 -11.4 -12.6 -15.0 91 90 A L S << S- 0 0 2 -3,-0.9 85,-0.1 -4,-0.6 68,-0.1 -0.733 76.4-132.6 -88.1 131.3 -9.2 -10.3 -17.1 92 91 A A - 0 0 28 66,-0.5 85,-2.2 83,-0.5 86,-0.2 -0.330 13.1-127.6 -84.0 161.4 -7.7 -11.6 -20.4 93 92 A K S S+ 0 0 168 83,-0.2 2,-0.3 84,-0.2 -1,-0.1 0.659 94.3 21.2 -74.6 -24.5 -4.1 -11.5 -21.8 94 93 A E S S- 0 0 137 81,-0.1 -1,-0.1 83,-0.0 -2,-0.1 -0.994 105.8 -60.7-147.6 161.5 -5.5 -10.1 -24.9 95 94 A E - 0 0 41 -2,-0.3 2,-0.3 1,-0.1 27,-0.2 -0.078 55.1-143.0 -38.2 106.8 -8.4 -8.2 -26.5 96 95 A V - 0 0 24 63,-0.2 2,-0.3 62,-0.1 -1,-0.1 -0.600 12.3-158.6 -75.4 135.8 -11.4 -10.5 -26.0 97 96 A E + 0 0 106 -2,-0.3 2,-0.3 24,-0.1 24,-0.2 -0.854 17.7 168.5-109.4 155.3 -14.0 -10.7 -28.8 98 97 A V E -H 120 0A 25 22,-2.6 22,-2.3 -2,-0.3 3,-0.2 -0.998 40.1-142.0-160.9 160.6 -17.6 -11.9 -28.2 99 98 A N E S+ 0 0 99 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.725 96.1 37.0 -97.2 -27.6 -21.2 -12.2 -29.7 100 99 A E E S+ 0 0 85 20,-0.1 2,-0.3 19,-0.1 55,-0.3 -0.883 74.5 161.7-128.9 103.6 -23.3 -11.4 -26.5 101 100 A A E -H 118 0A 1 17,-1.0 17,-1.4 -2,-0.4 16,-0.8 -0.843 24.4-148.6-120.6 158.3 -21.9 -8.8 -24.2 102 101 A V E -HI 116 153A 4 51,-3.1 51,-3.1 -2,-0.3 2,-0.6 -0.971 4.9-150.8-127.1 135.8 -23.3 -6.7 -21.4 103 102 A L E -HI 115 152A 0 12,-2.3 12,-1.7 -2,-0.4 2,-0.5 -0.969 15.1-158.7-111.5 117.3 -22.3 -3.2 -20.3 104 103 A A E -HI 114 151A 0 47,-2.7 47,-2.7 -2,-0.6 2,-0.3 -0.835 9.5-175.3-101.8 124.7 -22.8 -2.4 -16.6 105 104 A I E -H 113 0A 1 8,-2.8 8,-1.6 -2,-0.5 2,-0.1 -0.891 7.6-179.0-119.8 147.9 -23.1 1.2 -15.4 106 105 A N + 0 0 34 -2,-0.3 -78,-0.3 6,-0.2 2,-0.2 -0.525 33.3 113.0-154.8 78.0 -23.4 2.3 -11.7 107 106 A T S S- 0 0 5 3,-2.0 -80,-0.1 -2,-0.1 -89,-0.0 -0.714 78.1 -91.0-125.6-177.5 -23.7 6.0 -11.1 108 107 A S S S+ 0 0 94 -2,-0.2 -90,-0.0 1,-0.2 -1,-0.0 0.794 129.4 45.2 -64.1 -32.2 -26.3 8.5 -9.7 109 108 A K S S+ 0 0 142 1,-0.3 -1,-0.2 37,-0.1 38,-0.1 0.892 130.5 20.9 -78.8 -44.5 -27.5 9.0 -13.3 110 109 A F S > S- 0 0 30 36,-0.2 -3,-2.0 3,-0.1 3,-0.7 -0.777 81.8-169.9-119.3 81.1 -27.5 5.2 -14.3 111 110 A P T 3 S- 0 0 78 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 -0.620 70.6 -23.0 -76.5 138.4 -27.7 3.4 -11.0 112 111 A N T 3 S+ 0 0 82 -2,-0.3 2,-0.3 1,-0.1 -6,-0.2 0.758 93.2 158.9 22.5 61.7 -27.2 -0.3 -11.4 113 112 A M E < -H 105 0A 92 -8,-1.6 -8,-2.8 -3,-0.7 2,-0.3 -0.809 24.0-161.6-105.2 151.7 -28.2 -0.4 -15.1 114 113 A Y E -H 104 0A 38 -2,-0.3 -10,-0.2 -10,-0.2 -109,-0.0 -0.976 0.7-162.9-133.6 140.9 -27.2 -3.1 -17.7 115 114 A I E -H 103 0A 19 -12,-1.7 -12,-2.3 -2,-0.3 2,-1.4 -0.993 19.5-138.8-129.5 124.8 -27.2 -2.9 -21.5 116 115 A P E +H 102 0A 81 0, 0.0 -14,-0.2 0, 0.0 -2,-0.0 -0.680 29.1 171.9 -80.8 95.3 -27.1 -5.8 -23.9 117 116 A V E - 0 0 7 -2,-1.4 23,-0.6 -16,-0.8 2,-0.4 0.605 23.7-159.4 -80.1 -13.2 -24.7 -4.2 -26.4 118 117 A G E +H 101 0A 14 -17,-1.4 -17,-1.0 -3,-0.1 2,-0.4 -0.543 54.8 42.7 74.8-121.9 -24.4 -7.5 -28.3 119 118 A Q E - 0 0 90 -2,-0.4 2,-0.6 -19,-0.1 21,-0.4 -0.461 57.2-172.1 -81.2 124.4 -21.3 -7.9 -30.6 120 119 A V E +H 98 0A 0 -22,-2.3 -22,-2.6 -2,-0.4 2,-0.4 -0.933 8.6 179.5-112.9 114.8 -17.9 -6.8 -29.3 121 120 A T E -J 138 0A 37 17,-2.2 17,-2.0 -2,-0.6 -24,-0.1 -0.943 38.7-104.2-121.6 132.8 -15.1 -6.9 -31.9 122 121 A E E +J 137 0A 96 -2,-0.4 15,-0.3 15,-0.2 -25,-0.1 -0.332 41.6 174.5 -49.0 128.6 -11.5 -5.9 -31.3 123 122 A Y E + 0 0 106 13,-3.6 2,-0.5 1,-0.2 14,-0.2 0.684 7.3 179.4-112.2 -35.7 -11.3 -2.5 -33.0 124 123 A G E +J 136 0A 11 12,-2.5 12,-1.0 10,-0.1 -1,-0.2 -0.566 53.4 49.9 71.5-115.3 -7.8 -1.6 -32.0 125 124 A F E + 0 0 120 -2,-0.5 2,-0.3 9,-0.1 9,-0.2 -0.318 61.9 157.8 -71.6 131.4 -6.9 1.8 -33.5 126 125 A L E -J 133 0A 34 7,-2.5 7,-3.3 -2,-0.1 2,-1.6 -0.981 45.8-126.4-149.8 139.3 -9.3 4.8 -33.0 127 126 A N E > -J 132 0A 94 -2,-0.3 2,-2.0 5,-0.2 3,-0.6 -0.639 33.2-157.3 -82.9 85.4 -8.9 8.5 -33.1 128 127 A L T 3 - 0 0 30 3,-2.9 -1,-0.1 -2,-1.6 -2,-0.0 -0.395 68.3 -44.5 -78.3 79.0 -10.5 9.0 -29.6 129 128 A G T 3 S- 0 0 75 -2,-2.0 -1,-0.3 1,-0.2 -2,-0.0 0.995 126.4 -32.4 56.6 66.5 -11.6 12.7 -29.9 130 129 A G S < S+ 0 0 61 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.338 123.4 106.6 75.7 -5.7 -8.3 13.8 -31.5 131 130 A T - 0 0 52 -62,-0.0 -3,-2.9 2,-0.0 2,-0.3 -0.909 68.9-136.0-112.4 110.9 -6.3 11.2 -29.6 132 131 A P E + J 0 127A 61 0, 0.0 -62,-1.1 0, 0.0 2,-0.4 -0.468 35.6 179.4 -58.9 117.9 -5.0 8.1 -31.4 133 132 A T E -gJ 70 126A 0 -7,-3.3 -7,-2.5 -2,-0.3 -62,-0.2 -0.971 12.2-155.3-129.7 146.1 -5.8 5.3 -29.0 134 133 A K E + 0 0 66 -64,-2.4 -9,-0.1 -2,-0.4 -10,-0.1 -0.616 63.4 42.6-114.1 173.6 -5.2 1.6 -29.3 135 134 A R E S+ 0 0 59 -2,-0.2 39,-2.1 1,-0.2 2,-0.3 0.876 73.9 162.7 59.3 43.2 -6.6 -1.7 -28.0 136 135 A M E -KJ 173 124A 0 -12,-1.0 -13,-3.6 -3,-0.2 -12,-2.5 -0.689 29.4-152.2 -90.0 142.6 -10.2 -0.6 -28.4 137 136 A L E -KJ 172 122A 0 35,-2.5 35,-1.6 -2,-0.3 2,-0.4 -0.883 15.5-155.4-103.5 146.6 -13.3 -2.9 -28.4 138 137 A M E +KJ 171 121A 9 -17,-2.0 -17,-2.2 -2,-0.4 2,-0.3 -0.949 16.4 172.7-125.1 149.0 -16.3 -1.8 -30.3 139 138 A Y E -K 170 0A 0 31,-1.5 31,-1.6 -2,-0.4 2,-0.9 -0.926 38.5-109.3-143.9 157.3 -20.0 -2.7 -30.0 140 139 A N E +K 169 0A 98 -23,-0.6 29,-0.3 -21,-0.4 -21,-0.1 -0.884 62.9 129.8 -96.0 105.7 -23.0 -1.3 -31.7 141 140 A F - 0 0 54 -2,-0.9 2,-3.4 27,-0.8 25,-0.2 -0.826 64.9-121.1-160.7 128.1 -24.9 0.6 -29.2 142 141 A P - 0 0 51 0, 0.0 26,-0.2 0, 0.0 25,-0.1 -0.313 50.1-169.7 -58.5 62.5 -26.4 4.2 -29.1 143 142 A T - 0 0 12 -2,-3.4 2,-0.3 23,-0.2 26,-0.1 -0.071 6.4-152.9 -62.5 160.4 -24.3 5.0 -26.0 144 143 A R > - 0 0 160 22,-0.1 3,-1.3 1,-0.0 4,-0.1 -0.953 25.4 -91.3-134.5 152.6 -24.8 8.2 -24.0 145 144 A A T 3 S+ 0 0 90 -2,-0.3 19,-0.0 1,-0.2 -1,-0.0 -0.218 108.6 52.3 -56.5 155.5 -22.6 10.5 -21.8 146 145 A G T 3 S+ 0 0 31 -121,-0.1 -1,-0.2 -119,-0.0 -36,-0.2 0.094 89.3 91.6 93.9 -17.9 -22.7 9.5 -18.1 147 146 A Q X + 0 0 11 -3,-1.3 3,-2.2 -121,-0.1 15,-0.2 0.550 51.1 120.4 -87.2 -9.1 -21.7 5.9 -19.1 148 147 A C T 3 S+ 0 0 24 1,-0.3 -121,-1.3 -123,-0.1 15,-0.2 -0.288 73.0 31.8 -66.8 141.7 -17.9 6.1 -19.0 149 148 A G T 3 S+ 0 0 1 13,-2.7 -1,-0.3 1,-0.3 14,-0.1 0.124 85.9 151.8 92.7 -19.9 -16.2 3.7 -16.7 150 149 A G < - 0 0 0 -3,-2.2 12,-3.5 12,-0.3 2,-0.6 -0.109 48.5-119.3 -44.2 142.8 -19.0 1.4 -17.5 151 150 A V E -IL 104 161A 0 -47,-2.7 -47,-2.7 10,-0.2 2,-0.5 -0.824 19.8-148.1 -94.0 120.2 -17.8 -2.3 -17.1 152 151 A L E +IL 103 160A 0 8,-3.4 7,-1.8 -2,-0.6 8,-1.3 -0.799 31.0 160.8 -92.7 127.7 -18.0 -4.4 -20.3 153 152 A M E -IL 102 158A 0 -51,-3.1 -51,-3.1 -2,-0.5 2,-0.3 -0.896 29.0-174.5-143.3 154.4 -18.6 -8.2 -19.6 154 153 A S E > - L 0 157A 4 3,-2.1 3,-2.2 -2,-0.3 -53,-0.1 -0.815 63.6 -53.2-134.0 178.5 -19.8 -11.6 -20.9 155 154 A T T 3 S- 0 0 83 -55,-0.3 -151,-0.1 1,-0.3 -55,-0.0 -0.316 128.9 -3.2 -51.9 127.1 -20.2 -14.8 -18.9 156 155 A G T 3 S+ 0 0 36 -153,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.312 119.0 95.7 74.6 -8.0 -17.0 -15.4 -17.1 157 156 A K E < -L 154 0A 87 -3,-2.2 -3,-2.1 -66,-0.0 2,-0.7 -0.951 53.3-161.1-133.0 136.1 -15.2 -12.4 -18.6 158 157 A V E +L 153 0A 1 -68,-2.0 -66,-0.5 -2,-0.4 -5,-0.2 -0.916 22.9 176.3-100.1 102.1 -14.4 -8.7 -17.8 159 158 A L E - 0 0 3 -7,-1.8 16,-2.8 -2,-0.7 2,-0.3 0.942 48.0 -51.5 -75.1 -44.5 -13.5 -7.4 -21.3 160 159 A G E -LM 152 174A 0 -8,-1.3 -8,-3.4 14,-0.3 2,-0.4 -0.967 48.8 -82.7-178.5 177.5 -13.0 -3.7 -20.7 161 160 A I E -LM 151 173A 2 12,-2.3 12,-2.8 -2,-0.3 2,-0.3 -0.914 48.1-113.9-109.2 130.0 -13.9 -0.3 -19.3 162 161 A H E + M 0 172A 4 -12,-3.5 -13,-2.7 -2,-0.4 10,-0.3 -0.518 48.0 155.3 -71.9 126.7 -16.2 1.9 -21.5 163 162 A V E + 0 0 4 8,-3.2 2,-0.3 -2,-0.3 9,-0.2 0.650 50.4 21.0-124.8 -26.5 -14.3 5.0 -22.7 164 163 A G E + M 0 171A 9 7,-2.4 7,-2.6 -17,-0.1 2,-0.3 -0.891 50.2 169.0-147.6 169.5 -15.8 6.4 -25.9 165 164 A G E - M 0 170A 48 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.942 16.6-167.0-177.0 155.4 -18.8 6.7 -28.1 166 165 A N E > - M 0 169A 90 3,-2.5 3,-2.8 -2,-0.3 2,-1.2 -0.879 66.2 -59.2-148.8 121.2 -20.6 8.3 -31.0 167 166 A G T 3 S+ 0 0 46 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 -0.102 128.3 4.3 55.4 -81.0 -24.3 7.8 -31.8 168 167 A H T 3 S+ 0 0 144 -2,-1.2 -27,-0.8 -26,-0.2 2,-0.4 0.083 120.1 76.9-126.2 19.6 -24.7 4.0 -32.3 169 168 A Q E < -KM 140 166A 52 -3,-2.8 -3,-2.5 -29,-0.3 2,-0.3 -0.987 52.9-176.1-131.0 128.6 -21.1 2.9 -31.4 170 169 A G E -KM 139 165A 0 -31,-1.6 -31,-1.5 -2,-0.4 2,-0.4 -0.859 10.7-152.0-112.6 158.3 -19.4 2.6 -28.1 171 170 A F E -KM 138 164A 3 -7,-2.6 -8,-3.2 -2,-0.3 -7,-2.4 -0.996 5.3-164.3-134.5 136.0 -15.8 1.8 -27.3 172 171 A S E -KM 137 162A 0 -35,-1.6 -35,-2.5 -2,-0.4 2,-0.6 -0.884 24.4-124.6-114.3 143.9 -14.1 0.1 -24.3 173 172 A A E -KM 136 161A 0 -12,-2.8 -12,-2.3 -2,-0.4 -37,-0.2 -0.811 41.3-112.9 -84.5 122.3 -10.5 0.1 -23.4 174 173 A A E - M 0 160A 2 -39,-2.1 2,-0.9 -2,-0.6 -14,-0.3 -0.365 22.3-138.6 -60.3 133.8 -9.6 -3.6 -23.1 175 174 A L - 0 0 1 -16,-2.8 -83,-0.5 -17,-0.2 2,-0.2 -0.797 27.9-168.4-106.1 96.6 -8.8 -4.6 -19.5 176 175 A L > - 0 0 5 -2,-0.9 3,-1.4 -85,-0.1 4,-0.3 -0.575 28.6-123.6-103.0 152.6 -5.8 -6.9 -19.7 177 176 A K G > S+ 0 0 71 -85,-2.2 3,-1.7 1,-0.3 -84,-0.2 0.829 103.5 58.7 -61.9 -36.9 -4.2 -9.1 -17.1 178 177 A H G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -86,-0.2 -85,-0.1 0.597 82.9 76.7 -80.9 -8.8 -0.7 -7.7 -17.3 179 178 A Y G < S+ 0 0 29 -3,-1.4 2,-0.4 1,-0.1 -1,-0.3 0.697 94.7 69.7 -66.2 -12.3 -1.6 -4.1 -16.4 180 179 A F < 0 0 10 -3,-1.7 -1,-0.1 -4,-0.3 0, 0.0 -0.939 360.0 360.0-124.7 136.5 -1.9 -5.7 -13.0 181 180 A N 0 0 170 -2,-0.4 -1,-0.0 0, 0.0 0, 0.0 0.170 360.0 360.0 -6.6 360.0 1.1 -6.9 -11.1