==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 22-AUG-12 3J25 . COMPND 2 MOLECULE: TETRACYCLINE RESISTANCE PROTEIN TETM; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR A.DOENHOEFER,S.FRANCKENBERG,S.WICKLES,O.BERNINGHAUSEN,R.BECK . 638 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 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 . 44 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 1 0 0 0 1 2 3 4 1 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 . 6 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 2 A K 0 0 98 0, 0.0 242,-0.1 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0-137.5 -18.4 74.3 -60.9 2 3 A I - 0 0 27 66,-0.3 2,-0.4 235,-0.1 236,-0.1 0.105 360.0-146.8-161.6 -70.7 -20.4 71.4 -59.7 3 4 A I - 0 0 13 231,-0.2 66,-0.2 234,-0.1 2,-0.1 -0.979 22.7-117.2 118.7-133.6 -18.9 67.9 -59.7 4 5 A N - 0 0 28 -2,-0.4 2,-0.8 2,-0.1 66,-0.3 -0.388 16.7-108.0 154.6 125.6 -21.1 64.9 -60.4 5 6 A I + 0 0 58 233,-0.3 88,-2.0 -2,-0.1 87,-1.0 -0.575 49.7 164.2 -74.6 107.0 -22.0 61.7 -58.5 6 7 A G E -a 93 0A 25 -2,-0.8 66,-1.5 86,-0.2 88,-0.2 -0.977 17.6-165.0-128.4 139.8 -20.2 58.8 -60.1 7 8 A V E -ab 94 72A 15 86,-2.3 88,-3.4 -2,-0.4 2,-0.4 -0.630 15.5-131.3-113.8 173.6 -19.6 55.3 -58.8 8 9 A L E + b 0 73A 19 64,-1.8 66,-0.7 86,-0.2 88,-0.2 -0.928 33.2 160.8-133.3 110.4 -17.2 52.6 -59.9 9 10 A A + 0 0 24 -2,-0.4 2,-0.1 86,-0.3 88,-0.1 -0.302 10.9 111.4-112.6-163.1 -18.4 49.0 -60.4 10 11 A H - 0 0 9 97,-0.2 88,-0.1 86,-0.2 4,-0.1 -0.322 64.2 -49.4 115.9 161.1 -17.3 45.8 -62.1 11 12 A V S > S- 0 0 23 86,-0.3 3,-0.5 65,-0.1 5,-0.3 0.335 73.4 -68.4 -51.7-172.6 -16.1 42.3 -61.2 12 13 A D T 3 S+ 0 0 62 1,-0.2 87,-0.1 64,-0.1 -1,-0.1 -0.493 108.7 10.4 -88.2 155.4 -13.3 41.5 -58.8 13 14 A A T 3 S+ 0 0 111 -2,-0.2 -1,-0.2 1,-0.1 89,-0.1 0.561 88.6 121.2 57.4 11.8 -9.5 42.2 -59.2 14 15 A G S < S- 0 0 5 -3,-0.5 84,-0.5 85,-0.1 -1,-0.1 0.152 90.5 -95.0 -91.9 20.0 -10.3 44.3 -62.2 15 16 A K S > S+ 0 0 38 82,-0.1 4,-3.3 -5,-0.0 5,-0.4 0.484 76.0 141.6 86.9 1.1 -8.7 47.6 -60.9 16 17 A T H > S+ 0 0 26 -5,-0.3 4,-0.8 1,-0.2 58,-0.1 0.870 78.8 35.3 -39.6 -55.8 -11.9 49.2 -59.5 17 18 A T H >> S+ 0 0 63 2,-0.2 4,-3.0 1,-0.1 3,-0.5 0.959 118.7 47.4 -69.4 -56.4 -10.1 50.7 -56.5 18 19 A L H 3> S+ 0 0 68 1,-0.3 4,-3.1 2,-0.3 -2,-0.2 0.929 110.4 53.3 -52.9 -47.9 -6.7 51.5 -58.1 19 20 A T H 3X S+ 0 0 57 -4,-3.3 4,-2.1 2,-0.2 -1,-0.3 0.852 111.2 50.0 -54.9 -32.8 -8.4 53.2 -61.0 20 21 A E H < S+ 0 0 23 -4,-1.7 3,-0.7 -3,-0.4 4,-0.3 0.920 116.1 56.6 -66.8 -48.3 -3.6 61.5 -58.3 26 27 A S H 3< S+ 0 0 40 -4,-3.0 2,-1.2 1,-0.3 -3,-0.2 0.939 111.4 42.6 -49.3 -56.4 -4.3 62.2 -62.0 27 28 A G T 3< S+ 0 0 25 -4,-1.6 36,-0.5 -5,-0.3 -1,-0.3 -0.547 122.9 31.8 -94.2 69.1 -6.6 65.2 -61.2 28 29 A A < + 0 0 56 -2,-1.2 -3,-0.1 -3,-0.7 -2,-0.1 -0.331 43.7 169.8-172.5 -97.7 -4.5 66.8 -58.4 29 30 A I + 0 0 68 -4,-0.3 -4,-0.1 3,-0.2 4,-0.1 0.620 34.0 141.2 70.1 12.1 -0.7 66.8 -58.1 30 31 A T S S- 0 0 100 1,-0.2 -1,-0.1 -5,-0.1 3,-0.1 0.303 97.8 -27.0 -68.7 13.3 -1.1 69.3 -55.3 31 32 A E S S+ 0 0 103 1,-0.4 2,-0.3 0, 0.0 -1,-0.2 0.305 130.4 72.8 153.8 3.3 1.8 67.4 -53.7 32 33 A L - 0 0 48 -7,-0.1 -1,-0.4 1,-0.1 -3,-0.2 -0.995 39.4-179.9-142.3 146.7 1.5 63.9 -55.1 33 34 A G S S- 0 0 70 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.0 0.617 92.0 -21.9-115.3 -25.9 2.2 62.2 -58.4 34 35 A S S S- 0 0 81 -9,-0.1 -9,-0.1 -10,-0.0 -8,-0.1 0.332 78.5-139.8-159.9 -17.1 1.2 58.6 -57.7 35 36 A V - 0 0 65 -10,-0.1 -10,-0.1 5,-0.0 -3,-0.1 0.881 33.2 -97.7 45.6 106.2 1.4 58.2 -53.9 36 37 A D + 0 0 97 2,-0.1 3,-0.2 4,-0.0 -2,-0.0 0.246 59.7 148.7 -35.6 176.6 2.9 54.9 -53.0 37 38 A K + 0 0 59 1,-0.2 3,-0.1 3,-0.1 0, 0.0 0.392 58.6 168.2 98.1 129.9 0.5 52.0 -52.2 38 39 A G S S+ 0 0 95 2,-0.0 2,-0.2 1,-0.0 -1,-0.2 -0.799 109.9 4.7 81.0 -39.4 -0.1 49.3 -52.2 39 40 A T + 0 0 66 -3,-0.2 2,-0.2 11,-0.0 10,-0.1 -0.508 69.6 159.4 150.8 139.4 -2.7 50.9 -49.9 40 41 A T - 0 0 68 -2,-0.2 3,-0.3 -3,-0.1 -3,-0.1 -0.640 53.4 -52.9-154.5-149.7 -3.6 54.4 -48.8 41 42 A R S > S+ 0 0 74 1,-0.2 3,-1.3 -2,-0.2 4,-0.1 0.780 112.6 70.9 -81.5 -29.6 -6.2 56.8 -47.4 42 43 A T T 3 S+ 0 0 82 1,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.885 110.3 33.8 -54.1 -42.0 -9.1 56.0 -49.7 43 44 A D T 3 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.403 75.0 152.9-113.2 55.8 -9.4 52.6 -48.0 44 45 A N < + 0 0 82 -3,-1.3 2,-0.4 -2,-0.2 -1,-0.1 0.508 34.7 109.7 -62.9 -9.9 -8.5 53.5 -44.4 45 46 A T S > S- 0 0 59 -3,-0.1 4,-2.5 11,-0.1 11,-0.1 -0.561 78.6-111.0 -74.5 125.8 -10.6 50.7 -42.8 46 47 A L T 4 S+ 0 0 86 -2,-0.4 2,-2.9 1,-0.2 -1,-0.1 -0.114 105.4 19.2 -48.7 155.2 -8.4 48.0 -41.2 47 48 A L T >>S+ 0 0 52 1,-0.2 4,-3.8 -3,-0.1 5,-1.1 -0.425 116.9 68.2 76.2 -68.6 -8.7 44.7 -43.1 48 49 A E H >5S+ 0 0 13 -2,-2.9 4,-1.5 3,-0.2 -1,-0.2 0.944 120.3 24.2 -42.5 -43.7 -10.0 46.7 -46.0 49 50 A R H <5S+ 0 0 37 -4,-2.5 -3,-0.2 2,-0.2 3,-0.1 0.937 132.5 36.2 -82.1 -84.3 -6.4 47.8 -45.9 50 51 A Q H 45S+ 0 0 99 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.744 122.9 53.4 -41.7 -25.6 -4.5 45.0 -44.2 51 52 A R H <5S- 0 0 74 -4,-3.8 -1,-0.2 2,-0.2 -3,-0.2 0.971 103.6-132.1 -76.0 -59.2 -6.9 42.8 -46.1 52 53 A G S < S+ 0 0 14 311,-0.3 3,-0.9 1,-0.3 311,-0.3 -0.139 107.0 61.5 60.8 -54.0 -22.3 38.8 -50.7 80 81 A F T >> S+ 0 0 24 -2,-5.1 3,-2.9 -4,-0.3 4,-1.1 0.553 72.0 103.5 -76.3 -7.7 -21.2 42.5 -50.4 81 82 A L H 3> + 0 0 52 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.781 69.9 65.7 -42.2 -32.1 -23.6 43.3 -53.3 82 83 A A H <4 S+ 0 0 35 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.690 104.8 41.9 -75.3 -9.3 -26.0 44.7 -50.6 83 84 A E H <> S+ 0 0 50 -3,-2.9 4,-0.6 2,-0.2 -1,-0.3 0.587 113.1 55.2-108.4 -14.9 -23.6 47.5 -49.8 84 85 A V H >X S+ 0 0 21 -4,-1.1 4,-2.0 -3,-0.2 3,-0.7 0.919 104.6 52.1 -86.7 -45.6 -22.8 48.0 -53.5 85 86 A Y H 3X S+ 0 0 30 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.666 104.4 58.2 -52.3 -30.5 -26.5 48.5 -54.3 86 87 A R H 34 S+ 0 0 54 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.784 108.3 45.3 -80.4 -32.8 -26.7 51.2 -51.6 87 88 A S H XX S+ 0 0 16 -3,-0.7 3,-1.2 -4,-0.6 4,-0.9 0.859 111.6 51.7 -73.8 -38.7 -24.0 53.3 -53.2 88 89 A L H 3< S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.817 96.2 70.5 -71.3 -35.3 -25.6 52.8 -56.6 89 90 A S T 3< S+ 0 0 84 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.1 0.107 112.8 29.2 -59.4 6.6 -29.0 54.0 -55.1 90 91 A V T <4 S+ 0 0 87 -3,-1.2 -2,-0.2 1,-0.1 -3,-0.1 0.407 99.2 85.8-123.9 -93.2 -27.5 57.4 -54.9 91 92 A L < - 0 0 19 -4,-0.9 -85,-0.2 -85,-0.1 -1,-0.1 0.394 57.6-154.0 -11.1 124.6 -24.8 57.9 -57.7 92 93 A D S S+ 0 0 59 -87,-1.0 2,-0.3 1,-0.1 -86,-0.2 0.949 75.5 35.0 -74.3 -47.4 -26.1 59.0 -61.2 93 94 A G E -a 6 0A 19 -88,-2.0 -86,-2.3 27,-0.2 2,-0.5 -0.837 67.8-148.8-125.9 144.0 -23.3 57.5 -63.4 94 95 A A E -ac 7 123A 22 28,-0.8 30,-2.6 -2,-0.3 2,-1.7 -0.936 9.6-145.9-110.3 118.6 -21.3 54.4 -63.1 95 96 A I E - c 0 124A 50 -88,-3.4 -86,-0.3 -2,-0.5 30,-0.2 -0.622 30.4-149.8 -82.7 84.0 -17.7 54.0 -64.3 96 97 A L - 0 0 23 -2,-1.7 2,-0.2 28,-1.4 30,-0.2 -0.160 10.4-145.4 -53.8 146.0 -18.0 50.4 -65.4 97 98 A L + 0 0 15 28,-0.2 -86,-0.3 -88,-0.1 30,-0.2 -0.681 21.8 174.1-113.1 167.8 -14.8 48.4 -65.1 98 99 A I E -e 127 0C 28 28,-1.0 30,-4.0 -84,-0.5 5,-0.1 -0.539 12.0-159.7-176.8 103.6 -13.3 45.5 -67.1 99 100 A S E -e 128 0C 18 28,-0.2 30,-0.3 -2,-0.1 5,-0.2 -0.287 42.0 -86.9 -82.6 171.0 -9.8 43.9 -66.6 100 101 A A S S+ 0 0 51 28,-0.8 3,-0.3 1,-0.3 29,-0.1 0.915 130.4 24.6 -38.9 -81.7 -7.9 41.9 -69.2 101 102 A K S S+ 0 0 105 1,-0.3 2,-1.0 2,-0.1 -1,-0.3 0.673 100.3 95.8 -61.6 -16.0 -9.4 38.5 -68.5 102 103 A D > + 0 0 20 26,-0.2 2,-1.1 1,-0.1 3,-1.0 0.175 55.4 165.5 -63.6 24.9 -12.4 40.4 -67.1 103 104 A G T 3 S- 0 0 62 -2,-1.0 -1,-0.1 -3,-0.3 -3,-0.1 -0.211 77.8 -31.3 -48.5 87.9 -13.8 39.8 -70.6 104 105 A V T 3 S- 0 0 58 -2,-1.1 -1,-0.3 -5,-0.2 -6,-0.1 0.994 88.0-158.0 58.2 71.4 -17.4 40.7 -69.7 105 106 A Q < - 0 0 30 -3,-1.0 4,-0.5 1,-0.1 -3,-0.0 0.225 28.9 -98.0 -62.7-166.9 -17.5 39.5 -66.1 106 107 A A S > S+ 0 0 70 2,-0.1 4,-1.0 1,-0.1 -1,-0.1 0.823 123.2 36.5 -86.7 -36.0 -20.6 38.7 -64.2 107 108 A Q H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.732 102.5 71.6 -87.4 -25.8 -21.0 42.0 -62.4 108 109 A T H > S+ 0 0 21 2,-0.2 4,-0.7 1,-0.1 -1,-0.2 0.887 105.0 46.1 -57.3 -38.6 -19.7 44.0 -65.4 109 110 A R H >> S+ 0 0 54 -4,-0.5 4,-0.9 2,-0.1 3,-0.6 0.999 112.0 44.5 -57.8 -77.2 -23.1 43.0 -66.9 110 111 A I H 3X S+ 0 0 62 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.619 105.7 59.4 -37.3 -48.5 -25.6 43.8 -64.0 111 112 A L H 3X S+ 0 0 29 -4,-2.0 4,-1.3 1,-0.3 -1,-0.2 0.897 108.0 46.3 -51.7 -51.3 -24.2 47.2 -62.9 112 113 A F H X S+ 0 0 58 -4,-1.5 4,-1.3 1,-0.2 3,-0.6 0.894 110.0 49.8 -65.1 -41.9 -29.6 48.7 -63.1 115 116 A L H 3X>S+ 0 0 12 -4,-1.3 4,-2.2 1,-0.2 5,-0.7 0.692 101.5 63.6 -61.7 -36.1 -28.6 52.1 -64.2 116 117 A R H 3<5S+ 0 0 84 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.756 113.8 33.8 -69.9 -26.0 -30.4 51.6 -67.5 117 118 A K H <<5S+ 0 0 87 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.632 117.0 55.7-100.8 -20.2 -33.7 51.3 -65.7 118 119 A M H <5S- 0 0 45 -4,-1.3 -3,-0.2 -5,-0.1 -2,-0.2 0.935 114.0-105.8 -77.4 -50.2 -32.8 53.8 -62.9 119 120 A G T <5 + 0 0 36 -4,-2.2 -3,-0.1 1,-0.1 -4,-0.1 0.243 48.7 174.4 139.1 -6.9 -31.9 56.7 -65.1 120 121 A I < - 0 0 19 -5,-0.7 2,-2.4 1,-0.2 -27,-0.2 0.014 31.5-137.0 -32.4 105.4 -28.1 56.8 -64.8 121 122 A P S S- 0 0 29 0, 0.0 -1,-0.2 0, 0.0 86,-0.1 -0.456 75.6 -11.0 -73.8 75.7 -27.3 59.5 -67.4 122 123 A T - 0 0 32 -2,-2.4 -28,-0.8 84,-0.1 2,-0.3 0.142 61.5-149.3 106.3 138.2 -24.4 57.7 -69.0 123 124 A I E -c 94 0A 40 -30,-0.2 2,-0.4 -28,-0.1 -28,-0.2 -0.970 18.3-154.4-141.6 141.9 -22.4 54.6 -68.0 124 125 A F E -c 95 0A 42 -30,-2.6 -28,-1.4 -2,-0.3 2,-0.2 -0.978 4.5-148.5-134.3 133.0 -18.8 54.4 -68.9 125 126 A F - 0 0 54 -2,-0.4 91,-0.5 -30,-0.2 2,-0.2 -0.642 8.3-171.6 -97.8 158.9 -16.5 51.4 -69.5 126 127 A I - 0 0 51 -2,-0.2 -28,-1.0 -30,-0.2 2,-0.3 -0.740 14.8-148.5-151.4 97.2 -12.8 51.3 -68.8 127 128 A N E -e 98 0C 58 -2,-0.2 91,-0.4 89,-0.2 2,-0.3 -0.537 24.9-170.2 -68.0 125.5 -10.9 48.3 -70.0 128 129 A K E +e 99 0C 11 -30,-4.0 -28,-0.8 -2,-0.3 -26,-0.2 -0.892 55.2 41.1-121.8 151.8 -8.1 47.7 -67.5 129 130 A I + 0 0 35 -2,-0.3 2,-1.5 -30,-0.3 3,-0.4 0.781 55.3 170.0 85.7 30.5 -5.0 45.5 -67.6 130 131 A D + 0 0 53 -3,-0.2 4,-0.2 1,-0.2 -1,-0.1 0.166 41.1 117.8 -61.9 26.5 -4.2 46.1 -71.3 131 132 A Q S S- 0 0 90 -2,-1.5 3,-0.3 2,-0.1 -1,-0.2 0.974 77.4 -12.5 -57.6 -87.4 -1.0 44.3 -70.5 132 133 A N S S+ 0 0 76 -3,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.530 127.3 20.7-111.5 179.5 -1.0 41.1 -72.7 133 134 A G S S+ 0 0 90 1,-0.2 2,-0.8 -2,-0.2 -1,-0.2 0.780 81.3 148.0 26.9 45.7 -3.6 39.4 -74.8 134 135 A I + 0 0 51 -3,-0.3 -1,-0.2 -4,-0.2 -34,-0.0 -0.725 22.4 178.1-109.7 81.6 -5.5 42.7 -74.8 135 136 A D - 0 0 70 -2,-0.8 0, 0.0 1,-0.1 0, 0.0 0.231 27.5-150.8 -64.5-165.0 -7.3 42.9 -78.1 136 137 A L S > S+ 0 0 60 3,-0.1 4,-1.3 21,-0.0 -1,-0.1 0.444 94.5 59.5-140.2 -44.0 -9.5 45.8 -79.2 137 138 A S H > S+ 0 0 84 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.716 104.1 53.7 -48.0 -41.8 -11.8 43.8 -81.5 138 139 A T H > S+ 0 0 61 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.875 102.1 57.4 -64.9 -42.4 -12.8 41.6 -78.5 139 140 A V H >> S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.974 110.4 42.4 -55.4 -62.0 -13.8 44.6 -76.3 140 141 A Y H 3X S+ 0 0 66 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.797 111.1 55.5 -49.7 -42.9 -16.4 45.9 -78.9 141 142 A Q H 3X S+ 0 0 69 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.861 111.9 43.8 -60.0 -41.0 -17.8 42.4 -79.6 142 143 A D H S+ 0 0 48 -4,-2.0 5,-1.0 1,-0.2 6,-0.4 0.763 101.7 57.5 -50.3 -48.4 -19.9 45.2 -75.4 144 145 A K H <5S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.878 113.9 36.7 -71.7 -42.5 -22.4 45.2 -78.2 145 146 A E H <5S+ 0 0 87 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.974 125.8 35.1 -65.2 -59.3 -24.3 42.2 -77.0 146 147 A K T <5S+ 0 0 55 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.933 125.0 32.6 -61.2 -97.6 -24.0 42.7 -73.2 147 148 A L T 5S- 0 0 60 1,-0.2 -1,-0.2 -5,-0.1 -3,-0.2 0.726 84.9-164.5 -33.1 -26.7 -24.3 46.4 -72.4 148 149 A S < + 0 0 69 -5,-1.0 -1,-0.2 1,-0.1 3,-0.1 0.583 29.9 161.7 47.4 6.1 -26.5 46.4 -75.5 149 150 A A - 0 0 64 -6,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.060 51.0 -72.7 -48.9 165.1 -25.9 50.2 -75.3 150 151 A E - 0 0 67 61,-0.5 2,-0.6 1,-0.1 63,-0.2 -0.444 58.5 -96.1 -67.0 131.4 -26.5 52.4 -78.3 151 152 A I - 0 0 88 -2,-0.2 -1,-0.1 -3,-0.1 61,-0.0 -0.269 56.0-174.6 -50.9 99.2 -23.9 51.9 -81.0 152 153 A V - 0 0 57 -2,-0.6 2,-0.2 1,-0.2 25,-0.1 0.273 19.4 -98.1 -77.8-152.3 -21.6 54.8 -80.2 153 154 A I - 0 0 51 24,-0.1 62,-0.2 2,-0.1 2,-0.2 -0.494 46.1 -36.5-120.9-169.0 -18.6 56.0 -82.2 154 155 A K + 0 0 53 16,-0.8 15,-0.2 -2,-0.2 20,-0.1 -0.722 49.5 21.9-127.9 178.0 -14.8 55.6 -82.2 155 156 A Q + 0 0 41 13,-0.5 14,-0.4 -2,-0.2 62,-0.3 0.537 23.2 133.7-136.0-155.5 -12.2 55.4 -81.5 156 157 A K + 0 0 33 12,-0.5 12,-0.3 60,-0.1 2,-0.3 -0.227 57.1 70.4-178.7 76.7 -9.4 54.4 -79.0 157 158 A V + 0 0 50 60,-0.1 2,-0.1 61,-0.1 11,-0.0 -0.968 31.4 153.0-174.2-177.8 -6.5 52.3 -80.1 158 159 A E + 0 0 47 1,-0.5 7,-3.6 -2,-0.3 9,-0.1 -0.363 50.5 21.3 141.7 138.6 -3.3 52.2 -82.2 159 160 A L S S- 0 0 65 5,-0.3 -1,-0.5 -2,-0.1 5,-0.3 -0.022 71.2-106.4 72.5 177.9 -0.0 50.3 -82.3 160 161 A Y > - 0 0 69 4,-0.1 3,-2.1 0, 0.0 4,-0.3 -0.993 63.1 -23.3-145.8 150.1 0.7 46.9 -80.7 161 162 A P G > S- 0 0 94 0, 0.0 3,-2.2 0, 0.0 -29,-0.0 -0.197 132.5 -6.7 51.3-134.8 2.6 45.6 -77.7 162 163 A N G 3 S+ 0 0 111 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.738 138.8 59.3 -61.3 -22.4 5.3 48.0 -76.6 163 164 A V G < S+ 0 0 74 -3,-2.1 -1,-0.3 2,-0.1 0, 0.0 0.496 77.4 134.1 -84.3 -4.5 4.5 50.0 -79.7 164 165 A C < - 0 0 66 -3,-2.2 2,-0.3 -5,-0.3 -5,-0.3 -0.175 35.3-172.6 -48.8 131.9 1.0 50.5 -78.5 165 166 A V - 0 0 54 -7,-3.6 2,-0.3 0, 0.0 -2,-0.1 -0.972 27.3-105.7-133.5 147.8 -0.1 54.1 -78.9 166 167 A T + 0 0 96 -2,-0.3 2,-0.3 52,-0.1 -8,-0.1 -0.529 56.6 136.9 -73.4 131.4 -3.2 56.0 -77.8 167 168 A N + 0 0 47 -2,-0.3 50,-0.2 50,-0.1 -12,-0.1 -0.907 20.3 159.4-158.0-176.9 -5.7 56.8 -80.6 168 169 A F + 0 0 46 -12,-0.3 -12,-0.5 -2,-0.3 -13,-0.5 -0.236 15.0 149.8-171.5 -90.3 -9.3 57.0 -81.6 169 170 A T + 0 0 84 -14,-0.4 -15,-0.1 -15,-0.2 -2,-0.0 -0.318 9.3 142.7 68.5-151.6 -10.7 59.0 -84.5 170 171 A E > + 0 0 35 -17,-0.1 4,-0.8 3,-0.1 -16,-0.8 0.981 11.7 160.2 77.7 69.7 -13.8 57.8 -86.3 171 172 A S H > S+ 0 0 82 2,-0.2 4,-2.7 3,-0.1 5,-0.2 0.882 73.1 51.3 -85.6 -43.5 -15.7 61.0 -87.1 172 173 A E H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.921 109.9 49.7 -62.7 -43.4 -17.8 59.6 -89.9 173 174 A Q H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 110.5 50.7 -64.0 -39.3 -18.9 56.6 -87.8 174 175 A W H X S+ 0 0 35 -4,-0.8 4,-3.0 1,-0.2 5,-0.3 0.937 108.6 52.0 -62.5 -42.3 -19.8 59.0 -85.0 175 176 A D H X S+ 0 0 40 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.927 108.1 52.1 -58.7 -43.7 -21.8 61.1 -87.4 176 177 A T H X S+ 0 0 65 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.920 111.7 45.4 -60.3 -44.4 -23.6 58.0 -88.6 177 178 A V H >X S+ 0 0 38 -4,-2.2 3,-1.4 1,-0.2 4,-0.8 0.928 110.6 51.7 -65.5 -44.8 -24.6 57.1 -85.0 178 179 A I H >X S+ 0 0 38 -4,-3.0 4,-1.4 1,-0.3 3,-1.0 0.858 98.4 70.7 -61.8 -28.4 -25.6 60.5 -84.0 179 180 A E H 3< S+ 0 0 20 -4,-2.1 7,-0.4 1,-0.3 -1,-0.3 0.830 90.1 58.4 -56.3 -37.5 -27.8 60.4 -87.1 180 181 A G H << S+ 0 0 74 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.896 106.5 50.8 -60.9 -38.4 -30.1 57.9 -85.5 181 182 A N H << S+ 0 0 89 -3,-1.0 2,-0.5 -4,-0.8 -1,-0.2 0.814 115.2 34.4 -69.9 -38.3 -30.7 60.4 -82.7 182 183 A D X - 0 0 41 -4,-1.4 4,-1.4 1,-0.2 3,-0.2 -0.981 57.9-153.6-130.8 135.0 -31.6 63.4 -84.8 183 184 A D H > S+ 0 0 89 -2,-0.5 4,-2.0 1,-0.2 3,-0.3 0.911 100.1 59.2 -62.9 -40.0 -33.5 63.6 -88.0 184 185 A L H > S+ 0 0 79 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.870 103.5 50.7 -59.6 -39.7 -31.7 66.8 -88.7 185 186 A L H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.873 106.4 54.6 -66.6 -37.3 -28.3 65.2 -88.6 186 187 A E H X S+ 0 0 42 -4,-1.4 4,-3.4 -7,-0.4 5,-0.2 0.946 106.7 50.5 -62.6 -45.4 -29.3 62.4 -90.9 187 188 A K H X S+ 0 0 71 -4,-2.0 4,-1.7 1,-0.3 5,-0.4 0.931 114.7 43.7 -59.6 -45.4 -30.4 64.8 -93.6 188 189 A Y H X S+ 0 0 28 -4,-1.8 4,-3.0 2,-0.2 -1,-0.3 0.883 111.8 54.0 -65.2 -38.9 -27.1 66.6 -93.3 189 190 A M H < S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.931 108.6 49.1 -61.1 -45.7 -25.3 63.3 -93.2 190 191 A S H < S+ 0 0 94 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.835 140.3 4.8 -62.1 -33.3 -27.0 62.4 -96.4 191 192 A G H < S+ 0 0 72 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.699 139.2 3.8-117.6 -45.0 -26.0 65.7 -97.9 192 193 A K < - 0 0 60 -4,-3.0 -1,-0.1 -5,-0.4 0, 0.0 -0.352 51.8-142.8-123.9-155.8 -23.8 67.4 -95.3 193 194 A S - 0 0 74 -2,-0.1 2,-0.2 -3,-0.1 -4,-0.2 0.424 29.7-152.3-147.5 -29.0 -22.3 66.7 -91.9 194 195 A L - 0 0 94 -6,-0.2 2,-0.1 -5,-0.0 -1,-0.0 -0.543 37.5 -50.1 83.8-148.4 -22.4 69.9 -89.9 195 196 A E - 0 0 72 -2,-0.2 4,-0.1 1,-0.1 0, 0.0 -0.354 36.9-123.2-112.4-166.5 -19.9 70.6 -87.1 196 197 A A S > S+ 0 0 73 -2,-0.1 4,-2.9 3,-0.1 3,-0.2 0.785 98.5 62.3-107.7 -48.5 -18.5 68.8 -84.1 197 198 A L H > S+ 0 0 84 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.918 109.7 43.1 -43.9 -57.1 -19.3 71.2 -81.1 198 199 A E H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.823 112.6 52.0 -61.3 -34.1 -23.0 70.9 -81.7 199 200 A L H > S+ 0 0 50 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.839 106.3 55.7 -67.0 -37.2 -22.8 67.2 -82.3 200 201 A E H X S+ 0 0 62 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.812 106.1 51.8 -61.9 -37.9 -20.9 66.9 -78.9 201 202 A Q H X S+ 0 0 60 -4,-1.5 4,-2.6 -5,-0.2 5,-0.2 0.924 104.7 55.6 -65.0 -40.3 -23.8 68.7 -77.3 202 203 A E H X S+ 0 0 54 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.886 111.9 43.6 -59.4 -43.0 -26.3 66.2 -78.8 203 204 A E H X S+ 0 0 52 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.887 111.9 52.0 -66.6 -44.5 -24.3 63.3 -77.2 204 205 A S H X S+ 0 0 44 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.815 110.0 49.3 -64.1 -41.1 -23.9 65.1 -73.8 205 206 A I H X S+ 0 0 66 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.805 112.2 49.7 -63.4 -40.3 -27.7 65.8 -73.6 206 207 A R H X>S+ 0 0 22 -4,-1.2 5,-2.4 -5,-0.2 4,-1.1 0.847 107.5 53.6 -72.1 -38.2 -28.3 62.1 -74.4 207 208 A F H ><5S+ 0 0 20 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.935 110.7 44.2 -66.3 -45.0 -25.9 61.0 -71.8 208 209 A Q H 3<5S+ 0 0 72 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.874 111.8 58.4 -61.7 -36.3 -27.6 63.0 -68.9 209 210 A N H 3<5S- 0 0 73 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.659 116.9-111.6 -63.4 -23.5 -31.0 61.7 -70.4 210 211 A C T <<5S+ 0 0 46 -4,-1.1 -3,-0.2 -3,-0.7 -2,-0.1 0.805 94.6 82.1 92.5 37.1 -30.1 58.1 -69.9 211 212 A S S S+ 0 0 37 -92,-0.1 3,-3.2 -94,-0.0 6,-0.1 0.086 72.6 65.8-163.4 -69.7 -4.4 51.6 -67.1 221 222 A K T 3 S+ 0 0 88 1,-0.3 -2,-0.0 2,-0.1 -93,-0.0 0.876 110.1 40.5 -32.8 -79.0 -1.4 49.9 -65.5 222 223 A S T 3 S- 0 0 88 1,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.528 107.0-138.4 -53.8 -1.6 1.3 52.2 -67.0 223 224 A N < + 0 0 57 -3,-3.2 2,-0.4 1,-0.2 4,-0.2 0.903 50.2 146.6 38.1 64.3 -1.3 54.9 -66.1 224 225 A I + 0 0 63 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.996 66.7 23.1-132.9 128.4 -0.8 56.8 -69.4 225 226 A G S > S+ 0 0 37 -2,-0.4 4,-1.6 -3,-0.1 -1,-0.1 0.335 98.1 109.2 92.9 -0.9 -3.8 58.5 -71.0 226 227 A I H > S+ 0 0 29 2,-0.2 4,-1.9 3,-0.2 -2,-0.1 0.866 74.2 47.8 -69.8 -54.2 -5.0 58.3 -67.3 227 228 A D H > S+ 0 0 66 2,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.836 112.0 48.6 -59.1 -39.8 -4.6 62.1 -66.8 228 229 A N H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.968 111.5 53.0 -65.7 -46.7 -6.5 63.0 -70.1 229 230 A L H X S+ 0 0 47 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.903 104.3 52.6 -53.1 -42.2 -9.2 60.6 -69.1 230 231 A I H X S+ 0 0 23 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.952 111.3 46.9 -62.6 -46.5 -9.7 62.1 -65.8 231 232 A E H X S+ 0 0 65 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.880 114.7 48.4 -48.8 -53.6 -10.2 65.6 -67.4 232 233 A V H X S+ 0 0 65 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.837 108.8 51.7 -69.4 -30.4 -12.5 64.2 -69.9 233 234 A I H < S+ 0 0 68 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.918 112.7 44.9 -70.7 -44.7 -14.7 62.3 -67.5 234 235 A T H < S+ 0 0 60 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.803 103.1 70.9 -64.3 -38.2 -15.2 65.4 -65.3 235 236 A N H < S+ 0 0 74 -4,-1.8 2,-1.9 1,-0.3 -2,-0.2 0.940 103.2 32.4 -45.1 -88.8 -15.9 67.5 -68.2 236 237 A K S < S+ 0 0 78 -4,-0.9 -1,-0.3 1,-0.1 -4,-0.0 -0.532 110.0 70.8 -75.8 83.4 -19.3 66.2 -69.4 237 238 A F + 0 0 48 -2,-1.9 -234,-0.1 -3,-0.4 -235,-0.1 -0.153 57.6 101.0 163.9 92.9 -20.8 65.3 -66.0 238 239 A Y - 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0 0 65 -2,-0.2 4,-1.7 3,-0.1 5,-0.2 0.871 47.2-130.8 96.0 76.9 -46.9 25.7 -15.7 627 628 A I H >> S+ 0 0 85 2,-0.2 4,-2.0 3,-0.2 3,-1.7 0.697 96.4 48.4 -16.2 -99.0 -46.8 23.4 -12.7 628 629 A D H >> S+ 0 0 64 1,-0.3 4,-2.0 2,-0.2 3,-1.0 0.647 114.9 40.7 -11.9-100.9 -50.3 21.9 -12.8 629 630 A K H 3> S+ 0 0 26 1,-0.3 4,-1.5 -116,-0.2 -1,-0.3 0.661 121.0 47.6 -22.0 -48.0 -50.6 20.9 -16.4 630 631 A V H