==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-SEP-10 3OPN . COMPND 2 MOLECULE: PUTATIVE HEMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS SUBSP. LACTIS; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 208 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 8.7 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 . 1 0.5 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-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 . 1 0.5 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 . 19 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 3 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 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 1 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 33 A K 0 0 233 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 30.6 29.8 26.2 42.1 2 34 A L - 0 0 160 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.779 360.0-170.1 -81.5 105.6 26.4 27.6 41.3 3 35 A R + 0 0 161 -2,-1.0 2,-0.2 2,-0.0 -1,-0.2 0.852 62.4 40.3 -73.2 -30.3 26.8 27.6 37.6 4 36 A Y S S- 0 0 24 -3,-0.1 33,-0.1 2,-0.1 34,-0.1 -0.732 82.5-117.5-116.8 160.0 23.6 29.5 36.8 5 37 A V S S+ 0 0 42 -2,-0.2 2,-0.3 31,-0.2 32,-0.1 0.547 98.7 11.0 -77.2 -6.9 21.9 32.6 38.4 6 38 A S S > S- 0 0 40 31,-0.1 3,-1.3 30,-0.1 4,-0.2 -0.976 77.4-108.8-157.1 164.6 18.8 30.4 39.2 7 39 A R T > S+ 0 0 166 -2,-0.3 3,-1.7 1,-0.3 4,-0.5 0.681 110.0 80.3 -68.0 -17.2 17.6 26.8 39.2 8 40 A G T >> S+ 0 0 12 1,-0.3 3,-1.5 2,-0.2 4,-1.1 0.831 78.3 69.2 -55.2 -31.4 15.6 27.9 36.2 9 41 A G H <> S+ 0 0 0 -3,-1.3 4,-2.2 1,-0.3 -1,-0.3 0.790 87.4 65.0 -59.8 -27.6 18.8 27.5 34.2 10 42 A L H <> S+ 0 0 50 -3,-1.7 4,-1.6 -4,-0.2 -1,-0.3 0.782 96.8 57.6 -63.4 -28.5 18.5 23.7 34.8 11 43 A K H <> S+ 0 0 24 -3,-1.5 4,-1.8 -4,-0.5 -2,-0.2 0.969 110.6 38.6 -69.9 -53.3 15.3 23.7 32.7 12 44 A L H X S+ 0 0 2 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.857 111.1 61.6 -66.2 -34.1 16.9 25.2 29.6 13 45 A E H X S+ 0 0 65 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.925 105.9 45.9 -56.6 -45.1 20.0 23.1 30.1 14 46 A K H X S+ 0 0 35 -4,-1.6 4,-3.3 2,-0.2 5,-0.3 0.916 111.5 52.0 -66.0 -40.9 17.9 19.9 29.8 15 47 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 6,-0.3 0.930 109.0 49.8 -60.4 -45.2 16.1 21.2 26.7 16 48 A L H <>S+ 0 0 14 -4,-2.8 5,-1.9 2,-0.2 4,-0.4 0.921 117.3 41.7 -58.6 -45.3 19.4 22.1 25.0 17 49 A K H ><5S+ 0 0 154 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.946 119.9 40.2 -66.1 -53.8 20.8 18.6 25.8 18 50 A E H 3<5S+ 0 0 93 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.818 121.4 42.5 -69.1 -33.3 17.6 16.5 25.0 19 51 A F T 3<5S- 0 0 13 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.431 104.4-127.4 -95.2 -1.1 16.7 18.5 21.9 20 52 A H T < 5 + 0 0 157 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.2 0.907 44.5 176.2 53.9 48.6 20.3 18.7 20.6 21 53 A L < - 0 0 12 -5,-1.9 2,-0.5 -6,-0.3 -1,-0.2 -0.634 23.5-151.1 -88.1 140.8 20.1 22.5 20.2 22 54 A E + 0 0 139 -2,-0.3 24,-0.1 1,-0.1 23,-0.0 -0.959 20.7 168.4-112.5 122.2 23.0 24.6 19.1 23 55 A I > + 0 0 3 -2,-0.5 3,-2.6 22,-0.3 25,-0.3 0.663 33.5 124.6-103.5 -25.6 23.1 28.2 20.4 24 56 A N T 3 S- 0 0 122 1,-0.3 23,-0.2 21,-0.2 22,-0.2 -0.117 86.1 -1.1 -49.6 122.0 26.6 29.2 19.5 25 57 A G T 3 S+ 0 0 43 21,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.436 102.6 131.4 85.7 1.3 26.7 32.3 17.4 26 58 A K < - 0 0 69 -3,-2.6 22,-2.6 22,-0.1 23,-1.2 -0.581 62.0-123.6 -93.2 149.1 22.9 32.7 17.3 27 59 A T E -a 49 0A 11 63,-0.3 65,-2.7 -2,-0.2 66,-1.4 -0.814 42.8-165.1 -84.6 121.3 20.7 35.7 18.0 28 60 A C E -ab 50 93A 0 21,-3.3 23,-2.6 -2,-0.6 2,-0.4 -0.753 20.2-150.7-117.5 155.7 18.4 34.5 20.8 29 61 A L E -ab 51 94A 0 64,-2.4 66,-2.7 -2,-0.3 2,-0.6 -0.994 4.7-163.9-126.8 128.3 15.2 35.7 22.4 30 62 A D E > -ab 52 95A 1 21,-3.1 23,-2.5 -2,-0.4 2,-0.7 -0.930 9.8-159.5-113.5 104.2 14.3 34.9 26.1 31 63 A I E 3 S+ab 53 96A 4 64,-3.0 66,-2.7 -2,-0.6 23,-0.1 -0.781 80.3 12.9 -90.9 113.3 10.6 35.5 26.6 32 64 A G T 3 S+ 0 0 14 21,-2.4 -1,-0.2 -2,-0.7 22,-0.2 0.844 76.1 178.9 90.5 45.5 9.9 36.0 30.4 33 65 A S X + 0 0 5 20,-1.9 3,-2.1 -3,-0.7 4,-0.3 0.754 14.4 159.6 -53.9 -37.0 13.6 36.5 31.3 34 66 A S T 3 S- 0 0 58 1,-0.3 25,-0.6 19,-0.2 -1,-0.2 -0.172 75.9 -3.9 51.3-129.0 12.8 37.1 35.0 35 67 A T T 3 S- 0 0 59 25,-0.2 26,-2.7 23,-0.1 -1,-0.3 0.734 105.2-111.1 -69.2 -22.4 16.0 36.5 37.1 36 68 A G S <> S+ 0 0 1 -3,-2.1 4,-3.2 24,-0.2 5,-0.2 0.571 70.8 138.3 109.7 12.1 17.8 35.4 33.9 37 69 A G H > S+ 0 0 3 -4,-0.3 4,-2.2 1,-0.2 -31,-0.1 0.884 80.8 43.3 -54.5 -45.4 18.4 31.7 34.3 38 70 A F H > S+ 0 0 9 -5,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.917 114.5 49.8 -66.7 -46.4 17.5 30.9 30.6 39 71 A T H > S+ 0 0 0 -6,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.905 109.6 53.1 -57.5 -42.9 19.5 33.9 29.4 40 72 A D H X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.937 107.5 50.3 -57.5 -51.1 22.4 32.7 31.5 41 73 A V H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.905 112.7 47.0 -55.1 -42.2 22.3 29.3 29.9 42 74 A X H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-0.5 0.928 110.3 51.5 -70.7 -41.4 22.2 30.8 26.4 43 75 A L H ><5S+ 0 0 5 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.922 109.5 50.7 -55.2 -47.5 25.1 33.2 27.1 44 76 A Q H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.705 107.1 55.1 -66.6 -20.2 27.2 30.2 28.4 45 77 A N T <<5S- 0 0 77 -4,-1.0 -22,-0.3 -3,-0.5 -1,-0.3 0.238 127.7 -94.4-100.5 13.3 26.5 28.3 25.2 46 78 A G T < 5 + 0 0 19 -3,-1.6 -21,-2.6 1,-0.2 -3,-0.2 0.572 55.4 176.6 95.3 12.3 27.7 31.1 23.0 47 79 A A < - 0 0 1 -5,-2.3 -1,-0.2 -23,-0.2 -20,-0.2 -0.154 25.6-146.0 -44.5 138.7 24.7 33.1 22.1 48 80 A K S S- 0 0 135 -22,-2.6 2,-0.3 1,-0.4 -21,-0.2 0.857 80.2 -7.1 -77.2 -36.9 25.7 36.1 20.0 49 81 A L E -a 27 0A 21 -23,-1.2 -21,-3.3 2,-0.0 2,-0.4 -0.974 62.9-153.7-157.5 144.7 23.0 38.3 21.5 50 82 A V E -ac 28 70A 0 19,-2.6 21,-3.1 -2,-0.3 2,-0.7 -0.975 8.1-150.2-128.3 120.1 20.1 37.7 23.8 51 83 A Y E -ac 29 71A 1 -23,-2.6 -21,-3.1 -2,-0.4 2,-0.7 -0.791 16.2-156.8 -81.6 119.7 16.9 39.8 23.9 52 84 A A E -ac 30 72A 0 19,-3.1 21,-2.9 -2,-0.7 2,-0.4 -0.877 15.5-172.0-105.4 107.2 15.7 39.6 27.5 53 85 A L E +ac 31 73A 3 -23,-2.5 -21,-2.4 -2,-0.7 -20,-1.9 -0.843 14.3 166.7-112.6 134.7 12.0 40.4 27.6 54 86 A D - 0 0 21 19,-1.7 22,-2.6 -2,-0.4 21,-0.5 -0.995 35.2-141.6-143.4 134.1 9.6 40.9 30.5 55 87 A V S S+ 0 0 100 -2,-0.3 22,-0.1 20,-0.2 2,-0.1 0.803 96.0 33.1 -62.7 -29.4 6.0 42.3 30.6 56 88 A G S S- 0 0 27 1,-0.2 19,-2.6 19,-0.2 20,-0.4 -0.237 117.5 -44.1-108.0-159.3 7.0 44.0 33.8 57 89 A T - 0 0 73 17,-0.2 -1,-0.2 18,-0.1 2,-0.1 -0.376 69.7 -98.2 -71.7 148.8 10.3 45.5 35.1 58 90 A N - 0 0 33 1,-0.1 -1,-0.1 -4,-0.1 -23,-0.1 -0.427 32.4-175.1 -71.7 142.2 13.4 43.5 34.6 59 91 A Q + 0 0 111 -25,-0.6 -1,-0.1 -2,-0.1 3,-0.1 -0.014 27.2 156.3-121.4 22.6 14.6 41.4 37.5 60 92 A L - 0 0 18 1,-0.1 -24,-0.2 -8,-0.1 -25,-0.2 -0.221 50.3-105.4 -56.1 137.2 17.8 40.2 35.9 61 93 A A >> - 0 0 27 -26,-2.7 4,-2.9 1,-0.1 3,-0.9 -0.355 34.2-111.5 -54.5 144.9 20.6 39.1 38.2 62 94 A W H 3> S+ 0 0 222 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.878 117.4 55.8 -49.7 -48.3 23.4 41.7 38.3 63 95 A K H 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.854 114.6 38.9 -51.9 -42.8 25.8 39.4 36.4 64 96 A I H X4 S+ 0 0 0 -3,-0.9 3,-1.3 -29,-0.2 -2,-0.2 0.874 112.4 54.4 -80.9 -41.0 23.3 39.0 33.5 65 97 A R H 3< S+ 0 0 115 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.840 108.8 51.5 -59.4 -34.8 22.1 42.6 33.4 66 98 A S T 3< S+ 0 0 66 -4,-2.1 2,-0.4 -5,-0.3 -1,-0.3 0.507 83.2 115.5 -81.6 -6.5 25.7 43.7 33.1 67 99 A D X - 0 0 27 -3,-1.3 3,-2.1 1,-0.2 -3,-0.0 -0.548 62.1-145.5 -77.2 123.6 26.4 41.4 30.2 68 100 A E T 3 S+ 0 0 173 -2,-0.4 -1,-0.2 1,-0.3 -4,-0.0 0.738 97.3 61.4 -54.8 -27.7 27.2 43.3 27.0 69 101 A R T 3 S+ 0 0 93 -20,-0.1 -19,-2.6 -5,-0.0 2,-0.4 0.539 88.1 92.3 -80.1 -4.8 25.5 40.5 24.9 70 102 A V E < -c 50 0A 14 -3,-2.1 2,-0.6 -21,-0.2 -19,-0.2 -0.761 56.0-164.5-100.4 131.9 22.1 41.1 26.6 71 103 A V E -c 51 0A 29 -21,-3.1 -19,-3.1 -2,-0.4 2,-0.4 -0.958 17.5-144.3-115.1 113.9 19.5 43.5 25.3 72 104 A V E +c 52 0A 33 -2,-0.6 2,-0.3 -21,-0.2 -19,-0.2 -0.616 22.2 175.3 -83.0 130.2 16.9 44.4 27.9 73 105 A X E +c 53 0A 35 -21,-2.9 -19,-1.7 -2,-0.4 3,-0.4 -0.708 19.8 165.3-131.3 82.1 13.3 44.8 26.7 74 106 A E + 0 0 73 -2,-0.3 -17,-0.2 -21,-0.2 -19,-0.2 -0.492 57.8 33.0 -98.5 168.0 11.3 45.4 29.9 75 107 A Q S S+ 0 0 129 -19,-2.6 2,-0.5 -21,-0.5 -20,-0.2 0.880 92.0 137.6 51.3 39.4 7.7 46.7 30.4 76 108 A F - 0 0 46 -22,-2.6 2,-0.8 -3,-0.4 -1,-0.2 -0.944 49.2-151.4-124.6 111.6 7.3 44.9 27.0 77 109 A N > - 0 0 69 -2,-0.5 3,-2.0 1,-0.2 4,-0.2 -0.719 6.5-154.1 -86.4 111.7 4.2 42.9 26.4 78 110 A F G > S+ 0 0 10 -2,-0.8 3,-1.9 1,-0.3 -1,-0.2 0.753 88.4 71.8 -61.9 -22.2 5.1 40.2 23.9 79 111 A R G 3 S+ 0 0 128 1,-0.3 -1,-0.3 30,-0.1 -2,-0.0 0.842 102.3 44.7 -60.9 -28.1 1.6 39.9 22.6 80 112 A N G < S+ 0 0 127 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.329 89.9 125.5 -95.9 6.9 2.1 43.2 21.0 81 113 A A < + 0 0 7 -3,-1.9 2,-0.3 -4,-0.2 32,-0.1 -0.421 34.0 178.6 -70.6 137.0 5.6 42.3 19.6 82 114 A V > - 0 0 82 -2,-0.1 3,-2.1 30,-0.1 4,-0.3 -0.901 44.3-101.9-130.9 165.3 6.4 42.6 15.9 83 115 A L G > S+ 0 0 74 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.867 117.7 65.0 -55.6 -37.5 9.5 41.9 13.9 84 116 A A G 3 S+ 0 0 77 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.720 88.5 70.4 -59.1 -19.4 10.3 45.6 13.7 85 117 A D G < S+ 0 0 53 -3,-2.1 2,-0.8 1,-0.2 -1,-0.3 0.622 86.8 71.9 -71.7 -13.2 10.8 45.6 17.6 86 118 A F < + 0 0 13 -3,-2.2 3,-0.4 -4,-0.3 -1,-0.2 -0.843 55.1 161.2-111.9 96.9 14.0 43.5 17.1 87 119 A E + 0 0 171 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 0.303 62.5 61.2-103.2 4.7 16.6 45.9 15.7 88 120 A Q S S- 0 0 115 1,-0.5 -1,-0.2 -17,-0.0 2,-0.1 -0.109 121.7 -41.7-123.8 37.2 19.9 44.1 16.5 89 121 A G - 0 0 35 -3,-0.4 -1,-0.5 2,-0.1 3,-0.0 -0.057 68.4 -86.5 114.1 143.0 19.3 40.9 14.5 90 122 A R - 0 0 79 -3,-0.1 -63,-0.3 -2,-0.1 2,-0.1 -0.661 48.8-112.1 -82.3 129.2 16.4 38.6 13.9 91 123 A P + 0 0 0 0, 0.0 24,-2.8 0, 0.0 -63,-0.2 -0.404 34.9 175.6 -64.5 134.1 16.0 35.9 16.6 92 124 A S S S+ 0 0 29 -65,-2.7 27,-2.6 1,-0.3 2,-0.4 0.504 72.0 42.2-111.7 -13.9 16.7 32.4 15.3 93 125 A F E -bd 28 119A 1 -66,-1.4 -64,-2.4 25,-0.2 2,-0.4 -0.999 68.1-175.3-131.8 137.8 16.4 30.7 18.7 94 126 A T E -bd 29 120A 0 25,-2.3 27,-2.9 -2,-0.4 2,-0.4 -0.988 11.1-164.2-133.0 135.0 13.8 31.4 21.4 95 127 A S E -bd 30 121A 0 -66,-2.7 -64,-3.0 -2,-0.4 2,-0.5 -0.946 13.6-159.2-113.9 141.5 13.3 30.2 24.9 96 128 A I E +bd 31 122A 0 25,-2.2 27,-2.4 -2,-0.4 2,-0.2 -0.975 26.4 153.8-128.1 125.9 9.9 30.7 26.6 97 129 A D + 0 0 30 -66,-2.7 2,-0.3 -2,-0.5 27,-0.1 -0.683 23.6 154.1-147.0 84.2 9.1 30.7 30.3 98 130 A V - 0 0 25 25,-0.3 2,-0.3 -2,-0.2 3,-0.2 -0.812 25.5-150.9-114.8 156.8 6.1 32.8 31.0 99 131 A S S S+ 0 0 61 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.896 70.0 22.3-125.6 155.0 3.5 32.7 33.8 100 132 A F S S+ 0 0 178 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.797 109.0 77.9 63.1 31.9 -0.2 33.6 34.1 101 133 A I S S- 0 0 46 -3,-0.2 2,-0.3 0, 0.0 -1,-0.2 -0.963 77.9-115.4-164.2 149.9 -0.7 33.3 30.4 102 134 A S > - 0 0 17 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.642 22.2-124.3 -89.8 150.1 -1.1 30.6 27.8 103 135 A L G >> S+ 0 0 3 1,-0.3 4,-3.0 -2,-0.3 3,-0.9 0.711 106.2 79.8 -61.4 -20.4 1.3 29.8 25.0 104 136 A D G 34 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.2 25,-0.0 0.796 97.7 42.3 -54.3 -30.0 -1.8 30.3 22.8 105 137 A L G <4 S+ 0 0 65 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.553 118.8 43.7 -96.6 -9.6 -1.1 34.0 23.2 106 138 A I T <> S+ 0 0 5 -3,-0.9 4,-1.8 -4,-0.4 -2,-0.2 0.831 102.7 61.0 -99.1 -42.4 2.7 33.8 22.8 107 139 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.828 97.2 58.0 -63.4 -36.6 3.2 31.5 19.9 108 140 A P H > S+ 0 0 46 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.969 110.6 38.9 -63.9 -53.1 1.4 33.5 17.2 109 141 A P H > S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.900 117.1 54.6 -60.4 -35.4 3.4 36.7 17.4 110 142 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -3,-0.2 0.894 98.4 60.8 -62.7 -42.6 6.5 34.6 17.8 111 143 A Y H < S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.2 -4,-0.1 0.874 110.0 43.0 -52.0 -39.4 5.8 32.6 14.7 112 144 A E H < S+ 0 0 126 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.880 116.3 46.8 -73.5 -38.2 6.0 35.8 12.7 113 145 A I H < S+ 0 0 1 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.850 91.4 92.2 -74.4 -38.0 9.1 37.2 14.6 114 146 A L S < S- 0 0 0 -4,-2.9 -22,-0.2 -5,-0.1 3,-0.1 -0.249 83.5-106.6 -64.2 143.4 11.3 34.1 14.5 115 147 A E > - 0 0 72 -24,-2.8 3,-2.4 1,-0.1 73,-0.2 -0.321 49.7 -81.3 -63.6 152.7 13.8 33.6 11.7 116 148 A K T 3 S+ 0 0 96 1,-0.3 -1,-0.1 71,-0.1 73,-0.1 -0.306 122.3 13.5 -51.9 134.4 12.9 30.9 9.0 117 149 A N T 3 S+ 0 0 110 71,-2.2 -1,-0.3 1,-0.2 72,-0.1 0.648 97.5 154.5 64.7 16.7 13.9 27.5 10.4 118 150 A G < - 0 0 2 -3,-2.4 70,-2.5 70,-0.2 2,-0.3 -0.322 34.2-133.9 -69.9 157.3 14.2 29.2 13.8 119 151 A E E -dE 93 187A 46 -27,-2.6 -25,-2.3 68,-0.2 2,-0.4 -0.855 13.0-158.3-120.5 154.6 13.8 27.0 16.9 120 152 A V E -dE 94 186A 0 66,-2.2 66,-2.4 -2,-0.3 2,-0.6 -0.991 8.9-166.3-131.6 133.8 11.9 27.3 20.1 121 153 A A E -dE 95 185A 3 -27,-2.9 -25,-2.2 -2,-0.4 2,-0.4 -0.956 28.7-179.7-114.5 110.9 12.4 25.7 23.5 122 154 A A E -dE 96 184A 0 62,-2.5 62,-2.4 -2,-0.6 2,-0.5 -0.893 28.8-131.3-122.9 138.3 9.2 26.4 25.5 123 155 A L E - E 0 183A 4 -27,-2.4 2,-0.7 -2,-0.4 -25,-0.3 -0.760 18.5-152.9 -82.1 125.5 7.9 25.5 28.9 124 156 A I E - E 0 182A 0 58,-3.1 58,-2.3 -2,-0.5 47,-0.2 -0.901 10.6-167.7 -98.2 114.5 4.4 24.1 28.9 125 157 A K >> - 0 0 14 -2,-0.7 3,-2.4 56,-0.2 4,-0.8 -0.877 11.5-164.1-110.3 103.5 2.7 24.9 32.3 126 158 A P H >> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-1.0 0.836 88.7 65.0 -53.0 -37.0 -0.5 23.0 32.8 127 159 A Q H 34 S+ 0 0 16 1,-0.3 8,-0.1 53,-0.2 54,-0.0 0.672 111.4 36.0 -63.4 -17.9 -1.5 25.4 35.6 128 160 A F H <4 S+ 0 0 46 -3,-2.4 -1,-0.3 -27,-0.1 4,-0.1 0.446 119.4 49.0-111.3 -1.3 -1.7 28.2 33.0 129 161 A E H << S+ 0 0 9 -3,-1.0 -2,-0.2 -4,-0.8 3,-0.1 0.673 96.8 76.9-106.8 -26.6 -3.1 26.1 30.1 130 162 A A S < S- 0 0 16 -4,-2.7 2,-0.1 -5,-0.2 5,-0.1 -0.238 94.7 -82.4 -77.9 171.6 -5.9 24.3 31.8 131 163 A G >> - 0 0 23 1,-0.1 3,-1.3 3,-0.0 4,-0.5 -0.385 36.2-114.0 -71.9 155.4 -9.3 25.9 32.7 132 164 A R H >> S+ 0 0 235 1,-0.3 3,-1.6 2,-0.2 4,-0.8 0.914 118.9 53.7 -50.8 -48.1 -9.7 28.0 35.8 133 165 A E H 34 S+ 0 0 158 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.673 104.7 57.4 -64.2 -16.4 -12.1 25.4 37.3 134 166 A Q H <4 S+ 0 0 78 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.583 98.9 61.7 -89.9 -11.5 -9.4 22.7 36.7 135 167 A V H << 0 0 31 -3,-1.6 5,-0.2 -4,-0.5 -2,-0.2 0.985 360.0 360.0 -84.5 -61.0 -6.7 24.4 38.7 136 168 A G < 0 0 67 -4,-0.8 -1,-0.1 3,-0.1 5,-0.1 -0.567 360.0 360.0 63.2 360.0 -7.6 24.8 42.4 137 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 138 170 A N 0 0 143 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -16.5 -3.4 25.4 45.9 139 171 A G + 0 0 22 1,-0.2 2,-0.4 37,-0.0 38,-0.2 0.580 360.0 124.0 83.2 12.2 -2.6 26.2 42.3 140 172 A I - 0 0 49 -5,-0.2 2,-0.6 37,-0.1 -1,-0.2 -0.884 49.7-151.0-111.7 132.7 -1.3 22.7 41.4 141 173 A I + 0 0 3 -2,-0.4 39,-0.5 1,-0.1 -14,-0.1 -0.909 25.9 160.4 -98.0 124.6 -2.4 20.4 38.7 142 174 A R + 0 0 127 -2,-0.6 -1,-0.1 37,-0.1 3,-0.0 0.537 37.4 107.9-118.4 -15.5 -1.9 16.8 39.6 143 175 A D > - 0 0 73 1,-0.2 4,-2.3 2,-0.1 3,-0.3 -0.550 57.8-151.6 -72.3 119.6 -4.3 15.0 37.2 144 176 A P H > S+ 0 0 81 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.831 97.3 56.1 -58.2 -35.9 -2.4 13.1 34.5 145 177 A K H > S+ 0 0 161 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.859 107.3 48.3 -66.5 -37.4 -5.3 13.5 32.1 146 178 A V H > S+ 0 0 14 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.920 110.4 52.0 -67.1 -41.9 -5.2 17.3 32.6 147 179 A H H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.952 111.1 47.4 -55.5 -49.7 -1.4 17.3 31.9 148 180 A Q H X S+ 0 0 55 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.922 110.8 51.4 -57.8 -46.1 -2.0 15.3 28.7 149 181 A X H X S+ 0 0 65 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.889 109.6 49.4 -60.9 -41.0 -4.8 17.7 27.6 150 182 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.896 112.1 47.7 -68.7 -40.1 -2.6 20.8 28.2 151 183 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.938 112.4 49.6 -60.5 -47.7 0.3 19.3 26.2 152 184 A E H X S+ 0 0 89 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.903 108.7 54.9 -57.7 -41.3 -2.1 18.3 23.4 153 185 A K H X S+ 0 0 59 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.905 110.0 44.2 -59.2 -46.9 -3.5 21.9 23.5 154 186 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.897 112.6 51.2 -67.9 -41.4 -0.1 23.5 23.0 155 187 A L H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.872 111.1 50.1 -62.7 -37.8 1.0 21.0 20.2 156 188 A K H X S+ 0 0 127 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.938 110.8 48.2 -65.2 -47.9 -2.3 21.8 18.4 157 189 A T H X S+ 0 0 28 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.940 113.0 48.3 -58.1 -46.9 -1.8 25.5 18.7 158 190 A A H X>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-1.0 0.926 113.8 45.6 -61.7 -47.3 1.8 25.2 17.4 159 191 A T H <5S+ 0 0 19 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.884 107.0 57.7 -66.9 -37.2 0.9 23.0 14.5 160 192 A Q H <5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.851 108.6 49.0 -59.8 -33.2 -2.1 25.2 13.5 161 193 A L H <5S- 0 0 52 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.735 125.9-101.2 -76.2 -26.2 0.4 28.0 13.2 162 194 A G T <5S+ 0 0 7 -4,-1.0 30,-1.3 -3,-0.5 28,-1.2 0.319 75.5 136.9 119.1 -7.1 2.8 26.0 11.0 163 195 A F E < -F 188 0A 0 -5,-2.0 -1,-0.4 27,-0.2 2,-0.3 -0.443 47.3-137.7 -65.1 144.7 5.4 25.1 13.7 164 196 A S E -F 187 0A 0 23,-2.8 23,-2.3 28,-0.2 2,-0.7 -0.805 13.5-130.7 -94.6 150.5 6.7 21.6 13.5 165 197 A V E +Fg 186 194A 0 28,-2.1 30,-3.4 -2,-0.3 21,-0.2 -0.895 29.9 173.1-104.1 111.8 7.1 19.8 16.9 166 198 A K E - 0 0 63 19,-2.7 2,-0.3 -2,-0.7 20,-0.2 0.670 59.4 -3.2 -97.0 -18.9 10.5 18.2 17.0 167 199 A G E -F 185 0A 0 18,-1.1 18,-2.4 30,-0.1 2,-0.3 -0.988 50.3-163.6-167.9 160.4 10.7 17.0 20.6 168 200 A L E +F 184 0A 17 -2,-0.3 2,-0.3 16,-0.2 31,-0.2 -0.964 20.1 148.1-153.8 134.8 9.0 16.8 23.9 169 201 A T E -F 183 0A 14 14,-2.5 14,-2.5 -2,-0.3 2,-0.4 -0.850 44.8 -87.8-148.5-173.1 10.2 16.0 27.4 170 202 A F E -F 182 0A 49 12,-0.3 12,-0.3 -2,-0.3 10,-0.0 -0.827 42.6-106.4-104.8 144.8 9.4 16.9 31.1 171 203 A S - 0 0 7 10,-2.6 10,-0.3 -2,-0.4 -160,-0.1 -0.453 28.4-127.7 -65.3 140.8 11.0 19.8 32.9 172 204 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.694 87.9 31.7 -71.0 -17.7 13.6 18.5 35.3 173 205 A I S S- 0 0 38 -165,-0.1 8,-0.2 6,-0.0 -2,-0.1 -0.965 89.6 -99.1-137.4 154.4 12.2 20.5 38.3 174 206 A K - 0 0 97 -2,-0.3 2,-0.3 6,-0.1 6,-0.2 -0.319 37.3-137.0 -69.4 154.1 8.7 21.6 39.4 175 207 A G B >> -H 179 0B 4 4,-2.6 4,-3.0 -4,-0.0 3,-2.4 -0.761 51.0 -24.7-113.1 158.6 7.6 25.2 38.7 176 208 A G T 34 S+ 0 0 83 -2,-0.3 -36,-0.1 1,-0.3 -2,-0.0 -0.094 130.8 4.4 51.2-129.2 5.8 27.8 40.8 177 209 A A T 34 S- 0 0 68 -38,-0.2 -1,-0.3 1,-0.1 -37,-0.1 0.493 132.5 -63.2 -67.1 -5.3 3.5 26.4 43.5 178 210 A G T <4 S+ 0 0 19 -3,-2.4 2,-0.4 1,-0.1 -2,-0.2 0.663 81.8 158.9 125.6 40.6 4.7 22.9 42.7 179 211 A N B < -H 175 0B 2 -4,-3.0 -4,-2.6 -39,-0.1 2,-0.2 -0.751 42.3-126.7 -99.9 134.3 3.7 22.0 39.2 180 212 A V - 0 0 3 -39,-0.5 2,-0.3 -2,-0.4 -53,-0.2 -0.568 38.5-171.0 -62.0 137.0 5.1 19.4 36.8 181 213 A E - 0 0 1 -10,-0.3 -10,-2.6 -2,-0.2 2,-0.3 -0.897 10.7-136.5-132.1 163.7 5.9 21.3 33.6 182 214 A F E -EF 124 170A 0 -58,-2.3 -58,-3.1 -2,-0.3 2,-0.5 -0.844 4.2-137.8-124.1 157.4 7.0 20.2 30.2 183 215 A L E -EF 123 169A 2 -14,-2.5 -14,-2.5 -2,-0.3 2,-0.4 -0.964 19.8-170.7-115.5 127.1 9.5 21.2 27.6 184 216 A V E -EF 122 168A 0 -62,-2.4 -62,-2.5 -2,-0.5 2,-0.5 -0.937 13.4-147.3-120.7 142.6 8.6 21.3 23.9 185 217 A H E -EF 121 167A 11 -18,-2.4 -19,-2.7 -2,-0.4 -18,-1.1 -0.939 21.6-174.7-108.7 117.0 10.9 21.8 20.9 186 218 A L E -EF 120 165A 1 -66,-2.4 -66,-2.2 -2,-0.5 2,-0.4 -0.842 11.7-160.8-114.4 153.0 9.4 23.7 17.9 187 219 A L E -EF 119 164A 29 -23,-2.3 -23,-2.8 -2,-0.3 2,-1.2 -0.997 19.6-133.0-133.3 128.7 10.7 24.5 14.4 188 220 A K E + F 0 163A 12 -70,-2.5 -71,-2.2 -2,-0.4 -70,-0.2 -0.677 63.2 118.4 -82.5 97.2 9.4 27.3 12.1 189 221 A D S S- 0 0 24 -2,-1.2 -1,-0.2 -27,-0.8 -26,-0.2 0.401 75.1-121.4-136.3 -3.8 9.0 25.5 8.8 190 222 A G S S+ 0 0 43 -28,-1.2 -27,-0.2 -3,-0.3 -2,-0.1 0.476 83.8 112.4 74.3 3.0 5.3 25.7 8.1 191 223 A K - 0 0 130 -29,-0.4 -28,-0.2 -4,-0.2 3,-0.1 0.702 65.2-149.4 -84.8 -19.3 5.1 21.9 7.9 192 224 A A + 0 0 45 -30,-1.3 2,-0.5 -5,-0.2 -28,-0.2 0.870 39.9 158.5 53.7 38.6 3.0 21.4 11.0 193 225 A E - 0 0 108 -31,-0.2 -28,-2.1 -34,-0.0 2,-0.7 -0.846 35.8-153.9-100.8 125.1 4.8 18.0 11.5 194 226 A I B -g 165 0A 85 -2,-0.5 -28,-0.2 -30,-0.2 -30,-0.0 -0.870 31.1-120.8 -92.5 117.0 4.9 16.3 14.9 195 227 A A > - 0 0 28 -30,-3.4 3,-1.7 -2,-0.7 -1,-0.0 -0.210 14.0-119.4 -62.4 148.7 8.0 14.2 14.9 196 228 A Q T 3 S+ 0 0 200 1,-0.3 -1,-0.1 3,-0.0 -30,-0.1 0.804 111.6 62.9 -56.7 -33.1 7.7 10.4 15.5 197 229 A Q T 3 S+ 0 0 135 -31,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.708 78.1 101.6 -67.3 -21.5 9.8 10.6 18.6 198 230 A V < + 0 0 21 -3,-1.7 2,-0.3 -33,-0.2 -29,-0.1 -0.525 46.3 166.7 -67.1 121.4 7.2 12.9 20.3 199 231 A N > - 0 0 78 -2,-0.4 4,-2.6 -31,-0.2 5,-0.2 -0.815 20.0-173.0-144.3 97.0 5.3 10.6 22.7 200 232 A I H > S+ 0 0 19 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.921 87.9 48.8 -59.8 -47.2 3.0 12.3 25.2 201 233 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 112.5 49.0 -61.6 -42.3 2.1 9.2 27.1 202 234 A S H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 111.6 49.1 -63.8 -42.0 5.8 8.1 27.3 203 235 A V H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.930 110.8 50.2 -62.8 -44.6 6.8 11.6 28.6 204 236 A L H X S+ 0 0 21 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.865 112.1 48.2 -60.9 -38.5 4.1 11.6 31.2 205 237 A Q H X S+ 0 0 153 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.894 111.5 48.9 -70.6 -41.3 5.1 8.1 32.4 206 238 A K H < S+ 0 0 131 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.869 109.5 51.8 -68.0 -38.5 8.8 9.0 32.6 207 239 A E H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 108.7 52.6 -62.8 -43.0 8.2 12.2 34.5 208 240 A S H < 0 0 96 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.889 360.0 360.0 -61.8 -43.0 6.1 10.3 37.1 209 241 A E < 0 0 121 -4,-1.8 -3,-0.0 -5,-0.1 -4,-0.0 -0.209 360.0 360.0 -49.2 360.0 8.8 7.6 37.8