==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 21-FEB-94 1SER . COMPND 2 MOLECULE: TRNASER; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.BIOU,V.CUSACK,A.YAREMCHUK,M.TUKALO . 793 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 0.1 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 . 40 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.9 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 5 2 3 4 1 3 2 1 0 0 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 7 6 4 0 4 0 0 0 4 2 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 6 0 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 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 1 A M 0 0 46 0, 0.0 2,-0.3 0, 0.0 309,-0.2 0.000 360.0 360.0 360.0 165.0 132.3 65.8 59.8 2 2 A V - 0 0 8 48,-0.2 2,-1.1 308,-0.1 51,-0.1 -0.911 360.0 -89.0-131.5 154.3 134.7 68.6 60.2 3 3 A D > - 0 0 49 -2,-0.3 4,-2.0 1,-0.2 3,-0.4 -0.529 28.1-152.9 -72.0 103.6 137.8 69.0 62.2 4 4 A L H > S+ 0 0 43 -2,-1.1 4,-2.2 1,-0.2 5,-0.3 0.746 90.6 64.0 -40.3 -38.8 136.8 70.3 65.5 5 5 A K H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.975 110.1 32.1 -56.6 -65.3 140.2 72.0 65.8 6 6 A R H > S+ 0 0 65 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.690 111.7 67.9 -77.4 -10.0 139.9 74.4 62.9 7 7 A L H >< S+ 0 0 0 -4,-2.0 3,-1.1 2,-0.2 -2,-0.2 0.997 111.2 31.8 -64.4 -62.1 136.2 74.7 63.5 8 8 A R H 3< S+ 0 0 115 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.806 120.9 55.0 -66.4 -25.1 136.8 76.5 66.8 9 9 A Q H 3< S+ 0 0 116 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.698 125.4 18.8 -78.7 -19.8 140.0 78.0 65.3 10 10 A E XX + 0 0 75 -4,-1.4 3,-1.9 -3,-1.1 4,-0.7 -0.053 69.1 160.7-142.7 48.6 138.2 79.5 62.3 11 11 A P H 3> + 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.606 68.3 66.6 -57.1 -18.8 134.4 79.8 63.0 12 12 A E H 3> S+ 0 0 135 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.931 94.5 57.6 -68.4 -40.0 133.7 82.4 60.3 13 13 A V H <> S+ 0 0 34 -3,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.919 112.7 42.2 -56.9 -42.3 134.5 80.0 57.5 14 14 A F H X S+ 0 0 1 -4,-0.7 4,-3.3 2,-0.2 5,-0.3 0.878 112.0 52.4 -72.9 -38.5 131.8 77.7 58.9 15 15 A H H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.972 114.2 44.0 -62.4 -46.5 129.3 80.5 59.6 16 16 A R H X S+ 0 0 61 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.917 114.2 51.6 -59.9 -46.8 129.7 81.6 56.0 17 17 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.942 109.9 46.9 -57.8 -47.8 129.5 78.0 54.9 18 18 A I H X>S+ 0 0 13 -4,-3.3 5,-1.6 2,-0.2 4,-1.3 0.894 113.2 54.2 -62.6 -35.9 126.2 77.3 56.9 19 19 A R H ><5S+ 0 0 189 -4,-2.3 3,-1.8 -5,-0.3 -2,-0.2 0.991 110.9 40.0 -57.3 -66.9 125.0 80.6 55.4 20 20 A E H 3<5S+ 0 0 45 -4,-2.6 44,-0.5 1,-0.3 -1,-0.2 0.631 119.9 47.4 -63.6 -21.4 125.5 79.8 51.8 21 21 A K H 3<5S- 0 0 16 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.550 102.4-129.5 -96.0 -11.7 124.4 76.2 52.2 22 22 A G T <<5 + 0 0 67 -3,-1.8 2,-0.3 -4,-1.3 -3,-0.2 0.916 44.3 165.5 67.6 42.8 121.2 77.0 54.2 23 23 A V < - 0 0 42 -5,-1.6 2,-1.2 -6,-0.1 -1,-0.2 -0.643 41.1-126.3 -91.6 147.3 121.8 74.6 57.1 24 24 A A + 0 0 93 -2,-0.3 2,-0.3 2,-0.1 -1,-0.0 -0.809 66.1 116.8 -93.9 93.0 119.7 74.9 60.3 25 25 A L - 0 0 30 -2,-1.2 2,-1.0 -7,-0.0 3,-0.1 -0.916 55.4-147.7-156.2 130.9 122.5 75.1 62.9 26 26 A D >> - 0 0 106 -2,-0.3 4,-1.3 1,-0.2 3,-1.1 -0.892 14.7-163.8-102.9 103.3 123.5 77.9 65.3 27 27 A L H 3> S+ 0 0 1 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.796 82.7 66.6 -56.2 -29.9 127.2 77.3 65.4 28 28 A E H 3> S+ 0 0 107 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.861 99.1 50.1 -63.2 -33.4 127.4 79.5 68.5 29 29 A A H <> S+ 0 0 50 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.891 112.9 46.4 -69.8 -40.3 125.5 76.9 70.6 30 30 A L H X S+ 0 0 1 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.964 110.3 53.1 -64.4 -50.7 127.7 74.1 69.4 31 31 A L H < S+ 0 0 28 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.752 106.9 54.6 -57.7 -26.6 130.8 76.3 70.1 32 32 A A H X S+ 0 0 53 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.941 106.3 49.3 -69.6 -51.3 129.4 76.8 73.7 33 33 A L H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 2,-2.2 0.886 99.6 68.7 -58.4 -39.2 129.2 73.0 74.3 34 34 A D H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -4,-0.0 -0.567 104.8 41.2 -85.0 80.3 132.8 72.6 73.0 35 35 A R H >4 S+ 0 0 177 -2,-2.2 3,-1.9 0, 0.0 -1,-0.2 -0.353 112.0 54.4 178.3 -55.6 134.0 74.4 76.1 36 36 A E H 3< S+ 0 0 101 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.840 92.9 70.7 -63.5 -30.0 131.6 72.7 78.5 37 37 A V T 3< 0 0 38 -4,-2.6 -1,-0.3 1,-0.3 -3,-0.1 0.657 360.0 360.0 -65.9 -6.0 132.8 69.2 77.3 38 38 A Q < 0 0 151 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.793 360.0 360.0 -72.2 360.0 136.1 70.0 79.2 39 ! 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 40 88 A R > 0 0 256 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0-141.8 129.2 64.2 81.2 41 89 A E T 3> + 0 0 101 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.790 360.0 71.3 -40.4 -40.4 126.1 65.0 79.0 42 90 A K H 3> S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.845 88.5 65.1 -51.1 -40.5 127.9 67.7 77.1 43 91 A E H <> S+ 0 0 115 -3,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.931 110.0 31.2 -47.3 -66.7 129.9 65.0 75.3 44 92 A A H > S+ 0 0 68 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.808 115.8 57.8 -70.7 -30.9 127.1 63.3 73.4 45 93 A R H X S+ 0 0 138 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.918 107.8 49.4 -65.3 -40.2 125.0 66.5 73.0 46 94 A L H X S+ 0 0 9 -4,-2.7 4,-3.0 -5,-0.2 3,-0.3 0.917 106.2 58.0 -63.8 -44.3 127.9 68.0 71.2 47 95 A E H X S+ 0 0 93 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.918 104.3 47.6 -54.7 -52.0 128.4 65.0 68.9 48 96 A A H < S+ 0 0 55 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.830 117.0 46.1 -60.3 -30.9 124.9 65.0 67.4 49 97 A L H >< S+ 0 0 45 -4,-1.2 3,-1.7 -3,-0.3 -2,-0.2 0.900 108.8 54.4 -74.9 -41.1 125.4 68.7 66.8 50 98 A L H >< S+ 0 0 5 -4,-3.0 3,-2.2 1,-0.3 -48,-0.2 0.897 97.4 64.3 -61.1 -41.2 128.8 68.3 65.4 51 99 A L T 3< S+ 0 0 45 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.514 98.3 58.1 -62.2 -4.2 127.6 65.7 62.8 52 100 A Q T < S+ 0 0 81 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.375 74.8 114.3-106.2 -1.0 125.5 68.6 61.2 53 101 A V < - 0 0 0 -3,-2.2 2,-0.1 -4,-0.2 -39,-0.0 -0.594 62.4-133.9 -75.7 130.9 128.4 71.0 60.5 54 102 A P - 0 0 0 0, 0.0 224,-0.2 0, 0.0 -36,-0.1 -0.391 11.4-111.8 -81.1 160.7 128.8 71.4 56.7 55 103 A L - 0 0 9 222,-2.8 224,-0.2 -2,-0.1 -53,-0.1 -0.685 41.8-105.4 -86.4 138.4 132.0 71.4 54.5 56 104 A P - 0 0 26 0, 0.0 -42,-0.1 0, 0.0 -1,-0.0 -0.590 41.8-115.4 -59.4 124.2 132.8 74.8 53.0 57 105 A P - 0 0 10 0, 0.0 224,-0.2 0, 0.0 223,-0.2 -0.158 33.9 -90.9 -58.3 155.5 132.0 74.9 49.3 58 106 A W > - 0 0 64 222,-2.6 3,-2.1 1,-0.1 214,-0.1 -0.439 38.7-114.5 -67.8 143.1 134.6 75.2 46.6 59 107 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.713 111.1 60.9 -48.9 -26.0 135.2 78.8 45.6 60 108 A G T 3 S+ 0 0 41 2,-0.1 -2,-0.1 0, 0.0 221,-0.0 0.491 78.7 112.4 -84.8 1.3 133.9 78.4 42.0 61 109 A A S < S- 0 0 11 -3,-2.1 210,-0.1 219,-0.1 2,-0.1 -0.559 74.2-116.2 -76.3 133.2 130.4 77.3 43.2 62 110 A P - 0 0 20 0, 0.0 210,-2.8 0, 0.0 2,-0.5 -0.429 28.0-131.2 -56.8 135.1 127.5 79.7 42.4 63 111 A V + 0 0 90 208,-0.2 2,-0.2 209,-0.1 -42,-0.1 -0.817 68.4 68.2 -92.3 135.8 126.1 81.0 45.6 64 112 A G S S- 0 0 25 -44,-0.5 209,-2.4 -2,-0.5 210,-0.5 -0.717 82.2 -83.2 138.2 167.9 122.3 80.7 45.6 65 113 A G S > S- 0 0 25 -2,-0.2 3,-2.6 208,-0.2 209,-0.3 0.022 79.3 -42.3 -81.7-153.7 119.8 77.9 45.7 66 114 A E G > S+ 0 0 141 1,-0.3 3,-2.2 207,-0.3 205,-0.2 0.856 132.7 57.6 -38.7 -58.3 118.5 75.8 42.8 67 115 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.384 94.4 66.4 -68.0 8.5 118.1 78.7 40.4 68 116 A A G < S+ 0 0 26 -3,-2.6 -1,-0.3 -6,-0.1 2,-0.2 0.323 71.0 125.3-102.2 6.3 121.8 79.8 40.7 69 117 A N < - 0 0 45 -3,-2.2 2,-0.5 -4,-0.2 201,-0.2 -0.462 54.3-142.7 -65.2 130.5 123.0 76.6 39.0 70 118 A R E -A 269 0A 166 199,-1.5 199,-2.5 -2,-0.2 -1,-0.1 -0.800 7.7-127.8-106.0 121.9 125.1 77.4 36.0 71 119 A E E -A 268 0A 71 -2,-0.5 197,-0.2 197,-0.2 3,-0.1 -0.410 23.7-174.5 -59.5 130.9 125.1 75.6 32.6 72 120 A I E - 0 0 78 195,-3.2 2,-0.3 1,-0.5 -1,-0.2 0.851 60.6 -38.0 -92.0 -49.8 128.8 74.7 31.9 73 121 A K E -A 267 0A 93 194,-1.0 194,-2.4 2,-0.0 -1,-0.5 -0.935 50.6-138.2-170.0 164.0 128.4 73.3 28.4 74 122 A R E -A 266 0A 124 -2,-0.3 2,-0.5 192,-0.3 192,-0.3 -0.989 12.1-156.1-137.7 139.6 125.9 71.1 26.4 75 123 A V E +A 265 0A 49 190,-2.8 190,-2.5 -2,-0.3 2,-0.1 -0.978 58.5 9.3-126.3 127.8 126.8 68.3 24.0 76 124 A G S S- 0 0 50 -2,-0.5 187,-0.0 188,-0.2 -2,-0.0 -0.193 72.3-113.3 92.2 167.1 124.6 67.2 21.2 77 125 A G - 0 0 51 1,-0.1 211,-0.0 -2,-0.1 -2,-0.0 -0.966 38.0 -81.4-137.1 150.8 121.4 68.7 20.0 78 126 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.239 57.5 -82.3 -42.9 166.2 117.7 67.5 20.0 79 127 A P - 0 0 42 0, 0.0 2,-0.9 0, 0.0 268,-0.0 -0.466 29.8-126.7 -82.4 154.5 116.2 65.1 17.5 80 128 A E - 0 0 190 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.845 35.3-167.9 -96.3 99.0 114.9 66.0 14.1 81 129 A F - 0 0 62 -2,-0.9 268,-0.0 1,-0.1 0, 0.0 -0.796 29.0-174.3-103.8 143.5 111.4 64.5 13.9 82 130 A S S S+ 0 0 92 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 -0.156 83.6 36.6-111.3 26.3 109.2 64.1 11.0 83 131 A F S S- 0 0 40 3,-0.0 267,-0.0 266,-0.0 3,-0.0 -0.901 106.7 -81.6-165.9 155.0 106.2 63.0 13.1 84 132 A P - 0 0 110 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.610 50.8-117.8 -69.5 128.3 105.2 64.2 16.6 85 133 A P - 0 0 53 0, 0.0 2,-0.2 0, 0.0 260,-0.1 -0.495 24.5-141.5 -60.9 132.0 107.3 62.4 19.2 86 134 A L - 0 0 54 -2,-0.2 205,-0.2 259,-0.1 2,-0.1 -0.539 25.3-106.3 -85.7 163.5 105.2 60.3 21.5 87 135 A D > - 0 0 49 -2,-0.2 4,-1.9 203,-0.1 5,-0.2 -0.447 30.1-102.0 -88.4 171.6 106.2 60.2 25.1 88 136 A H H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.937 120.0 49.8 -63.2 -41.8 107.9 57.2 26.9 89 137 A V H > S+ 0 0 4 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.901 112.3 47.0 -64.7 -39.1 104.8 55.9 28.6 90 138 A A H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.776 111.1 52.3 -75.0 -27.4 102.8 56.0 25.4 91 139 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 -3,-0.3 -2,-0.2 0.956 112.5 45.2 -69.0 -48.7 105.5 54.3 23.5 92 140 A M H X>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-0.7 0.940 114.7 48.2 -57.9 -50.1 105.6 51.5 26.1 93 141 A E H ><5S+ 0 0 106 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.881 109.1 54.1 -59.0 -39.2 101.9 51.3 26.1 94 142 A K H 3<5S+ 0 0 122 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.852 115.9 38.1 -66.9 -32.2 101.8 51.1 22.3 95 143 A N H 3<5S- 0 0 9 -4,-1.7 277,-2.7 -3,-0.5 -1,-0.2 0.354 107.1-114.3-101.5 0.5 104.2 48.2 22.2 96 144 A G T <<5S+ 0 0 16 -4,-0.7 277,-0.4 -3,-0.7 -3,-0.2 0.872 72.0 136.2 65.0 37.0 103.2 46.1 25.2 97 145 A W < + 0 0 0 -5,-2.2 17,-1.6 -6,-0.2 2,-0.3 0.364 58.2 47.1 -96.9 5.9 106.5 46.8 26.9 98 146 A W B -J 113 0B 41 -6,-0.4 15,-0.2 15,-0.3 -1,-0.1 -0.998 69.2-133.4-149.7 151.3 105.1 47.4 30.3 99 147 A E > - 0 0 3 13,-2.4 3,-1.5 -2,-0.3 4,-0.2 -0.776 14.3-176.5-107.0 98.7 102.7 46.0 32.8 100 148 A P T > S+ 0 0 53 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.755 75.0 76.4 -58.6 -29.8 100.2 48.5 34.4 101 149 A R T >> S+ 0 0 77 1,-0.3 4,-1.1 2,-0.2 3,-1.1 0.652 72.5 83.7 -65.3 -9.8 98.7 45.9 36.7 102 150 A I H <>>S+ 0 0 6 -3,-1.5 4,-2.7 1,-0.2 5,-0.7 0.837 77.3 66.5 -65.0 -24.9 101.7 46.0 39.0 103 151 A S H <>5S+ 0 0 54 -3,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.831 101.4 51.0 -69.2 -21.9 100.3 49.2 40.9 104 152 A Q H <45S+ 0 0 138 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.878 116.2 39.9 -73.8 -41.6 97.5 46.8 42.1 105 153 A V H <5S+ 0 0 13 -4,-1.1 464,-2.2 2,-0.1 467,-0.3 0.920 135.8 13.4 -68.9 -55.3 100.1 44.2 43.4 106 154 A S H <5S- 0 0 3 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.450 103.1-123.8-108.3 -5.7 102.8 46.4 44.9 107 155 A G << - 0 0 3 -5,-0.7 -1,-0.3 -4,-0.7 3,-0.3 -0.465 54.6 -5.1 93.7-169.5 101.2 49.9 45.1 108 156 A S S S+ 0 0 91 1,-0.2 117,-0.2 -2,-0.1 3,-0.1 -0.297 114.4 19.1 -70.5 147.5 102.2 53.2 43.6 109 157 A R S S+ 0 0 58 1,-0.3 116,-2.2 115,-0.1 2,-0.3 0.943 88.7 130.9 62.4 55.8 105.3 54.2 41.8 110 158 A S - 0 0 15 -3,-0.3 2,-0.3 114,-0.2 -1,-0.3 -0.832 38.4-157.1-128.9 155.2 106.3 50.7 40.8 111 159 A Y - 0 0 17 -2,-0.3 2,-0.3 115,-0.1 -13,-0.0 -0.996 14.4-176.0-142.6 154.1 107.2 49.3 37.4 112 160 A A - 0 0 0 -2,-0.3 -13,-2.4 452,-0.2 2,-0.3 -0.967 17.6-154.1-144.1 124.9 107.3 45.9 35.5 113 161 A L E -JK 98 563B 0 450,-1.4 450,-1.3 -2,-0.3 2,-0.3 -0.752 8.8-161.4-105.3 154.6 108.8 45.7 32.0 114 162 A K E > - K 0 562B 12 -17,-1.6 3,-1.2 -2,-0.3 4,-0.2 -0.957 47.0 -10.3-137.9 146.0 107.9 43.1 29.3 115 163 A G T >> S- 0 0 6 446,-2.3 3,-1.3 -2,-0.3 4,-1.2 -0.252 124.2 -6.0 65.5-150.2 109.4 41.7 26.1 116 164 A D H 3> S+ 0 0 22 254,-0.4 4,-2.1 1,-0.3 -1,-0.2 0.688 128.5 63.9 -60.7 -18.4 112.4 43.5 24.6 117 165 A L H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 -1,-0.3 0.942 102.4 49.9 -73.7 -33.6 112.3 46.4 27.1 118 166 A A H <> S+ 0 0 1 -3,-1.3 4,-1.7 443,-0.3 5,-0.3 0.972 112.3 46.3 -63.0 -52.2 113.1 43.9 30.0 119 167 A L H X S+ 0 0 17 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.888 111.4 54.6 -58.6 -31.9 116.0 42.4 28.0 120 168 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.921 104.4 54.0 -64.7 -43.3 117.1 46.0 27.2 121 169 A E H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.891 112.1 41.6 -60.9 -42.8 117.2 46.9 30.9 122 170 A L H X S+ 0 0 21 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.909 111.9 59.3 -74.0 -38.7 119.5 44.0 31.9 123 171 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.932 104.2 48.2 -50.5 -48.5 121.5 44.7 28.7 124 172 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.859 109.7 53.2 -67.6 -33.0 122.4 48.4 29.8 125 173 A L H X S+ 0 0 9 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.939 111.5 44.5 -66.6 -45.2 123.4 47.4 33.3 126 174 A R H X S+ 0 0 32 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.921 112.1 52.8 -64.6 -39.3 125.8 44.8 31.9 127 175 A F H X S+ 0 0 5 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.902 108.2 52.1 -61.6 -41.7 127.2 47.2 29.3 128 176 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.937 111.0 45.8 -62.4 -43.9 127.8 49.8 32.1 129 177 A M H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.929 112.3 51.3 -69.4 -40.1 129.8 47.2 34.3 130 178 A D H X S+ 0 0 21 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.926 110.7 49.6 -58.1 -44.8 131.8 46.1 31.2 131 179 A F H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 3,-0.3 0.971 109.4 49.4 -62.5 -51.9 132.7 49.7 30.4 132 180 A M H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.884 110.3 54.1 -56.2 -32.4 133.8 50.6 33.9 133 181 A A H ><5S+ 0 0 38 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.2 0.892 106.5 47.6 -72.7 -40.5 136.0 47.5 33.8 134 182 A R H 3<5S+ 0 0 168 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.879 109.3 61.6 -59.6 -33.2 137.8 48.5 30.5 135 183 A R T 3<5S- 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.327 122.7-101.4 -82.1 11.8 138.2 51.8 32.3 136 184 A G T < 5S+ 0 0 47 -3,-1.1 2,-0.4 1,-0.3 63,-0.2 0.511 80.0 130.1 85.7 0.8 140.3 50.6 35.3 137 185 A F < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 63,-0.2 -0.772 60.9-120.7 -92.7 136.4 137.4 50.5 37.9 138 186 A L E -b 200 0A 40 61,-2.7 63,-2.5 -2,-0.4 2,-0.2 -0.626 27.0-128.6 -74.9 119.5 137.1 47.2 39.8 139 187 A P E +b 201 0A 10 0, 0.0 398,-2.4 0, 0.0 2,-0.3 -0.484 30.5 176.5 -71.2 134.5 133.6 45.5 39.3 140 188 A M E -bC 202 536A 1 61,-2.0 63,-3.1 396,-0.2 2,-0.5 -0.996 23.1-153.6-135.0 138.9 131.6 44.5 42.4 141 189 A T E +bC 203 535A 4 394,-1.9 394,-1.5 -2,-0.3 63,-0.2 -0.975 33.9 179.1-106.9 132.0 128.1 43.0 42.8 142 190 A L - 0 0 11 61,-2.4 392,-0.1 -2,-0.5 2,-0.1 -0.823 28.2 -97.5-130.1 164.8 126.7 44.0 46.3 143 191 A P - 0 0 8 0, 0.0 38,-0.1 0, 0.0 -1,-0.0 -0.382 22.6-134.5 -73.8 164.4 123.7 43.8 48.7 144 192 A S S S+ 0 0 0 -2,-0.1 31,-2.6 62,-0.1 2,-0.3 0.008 80.8 67.7-108.1 26.2 121.1 46.5 49.1 145 193 A Y E +S 174 0C 3 29,-0.3 2,-0.3 27,-0.0 29,-0.2 -0.982 52.6 160.8-146.5 150.2 121.0 46.5 52.9 146 194 A A E -S 173 0C 0 27,-1.6 27,-1.5 -2,-0.3 382,-0.2 -0.979 39.4 -85.4-163.9 162.3 123.4 47.5 55.6 147 195 A R E >> -S 172 0C 87 380,-2.2 3,-1.7 -2,-0.3 4,-0.7 -0.326 47.0-100.0 -73.4 160.0 123.6 48.5 59.3 148 196 A E H >> S+ 0 0 78 23,-0.7 4,-1.5 1,-0.3 3,-1.4 0.875 114.3 66.9 -46.9 -48.5 123.1 52.0 60.6 149 197 A K H 3> S+ 0 0 89 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.773 96.2 57.3 -54.0 -24.4 126.8 52.9 61.0 150 198 A A H <> S+ 0 0 3 -3,-1.7 4,-1.9 377,-0.2 -1,-0.3 0.863 104.9 49.9 -73.8 -34.1 127.3 52.8 57.1 151 199 A F H S+ 0 0 0 -3,-1.4 5,-1.6 -4,-0.7 6,-1.5 0.919 112.5 46.8 -70.1 -41.8 124.5 55.5 56.5 152 200 A L H ><5S+ 0 0 56 -4,-1.5 3,-1.0 4,-0.2 -2,-0.2 0.923 106.3 63.2 -59.1 -45.8 126.1 57.8 59.2 153 201 A G H 3<5S+ 0 0 3 -4,-2.2 159,-0.5 1,-0.3 158,-0.3 0.905 110.7 34.5 -45.5 -52.9 129.4 57.0 57.4 154 202 A T H 3<5S- 0 0 6 -4,-1.9 -1,-0.3 157,-0.1 -2,-0.2 0.623 114.1-111.5 -77.7 -15.4 128.2 58.6 54.1 155 203 A G T <<5S+ 0 0 8 -3,-1.0 4,-0.4 -4,-0.8 5,-0.2 0.490 85.5 121.2 90.5 4.5 126.2 61.3 55.8 156 204 A H >< + 0 0 43 -5,-1.6 4,-2.6 -6,-0.2 -4,-0.2 0.886 62.9 81.8 -68.2 -34.6 122.8 59.9 54.6 157 205 A F T 4 S+ 0 0 0 -6,-1.5 -2,-0.3 2,-0.2 -1,-0.2 -0.965 95.2 15.8-105.4 133.7 121.9 59.6 58.3 158 206 A P T >4 S+ 0 0 65 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.953 126.5 47.1 -95.6 -18.7 121.0 61.9 59.8 159 207 A A T 34 S+ 0 0 54 -4,-0.4 -2,-0.2 1,-0.3 -3,-0.1 0.677 126.2 25.4 -53.9 -28.3 119.9 64.4 57.0 160 208 A Y T >< S+ 0 0 95 -4,-2.6 3,-2.7 -5,-0.2 -1,-0.3 0.166 75.0 125.0-129.0 25.5 118.0 61.9 54.9 161 209 A R G X S+ 0 0 112 -3,-1.7 3,-2.2 1,-0.3 -2,-0.1 0.907 75.0 61.8 -47.7 -43.4 116.9 59.2 57.3 162 210 A D G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.508 95.2 60.1 -66.1 -7.0 113.4 59.8 56.1 163 211 A Q G < S+ 0 0 53 -3,-2.7 46,-1.6 -7,-0.2 2,-0.4 0.334 92.9 84.4 -99.0 8.8 114.3 58.8 52.6 164 212 A V S < S- 0 0 22 -3,-2.2 2,-0.3 44,-0.2 44,-0.1 -0.948 70.1-134.9-121.8 125.9 115.4 55.2 53.7 165 213 A W - 0 0 19 -2,-0.4 9,-2.7 9,-0.2 2,-0.3 -0.547 21.2-147.9 -78.9 132.4 113.2 52.0 54.2 166 214 A A B -T 173 0C 31 424,-0.4 424,-2.0 -2,-0.3 2,-0.7 -0.774 14.5-124.1-102.4 144.8 114.0 50.0 57.4 167 215 A I B > -U 589 0D 3 5,-2.2 3,-1.1 -2,-0.3 5,-0.4 -0.782 36.7-118.1 -91.9 120.7 113.6 46.2 57.5 168 216 A A T 3 S+ 0 0 20 420,-2.1 420,-0.2 -2,-0.7 3,-0.1 -0.199 90.9 12.6 -60.4 147.4 111.3 45.5 60.4 169 217 A E T 3 S+ 0 0 199 1,-0.2 2,-0.3 418,-0.1 -1,-0.2 0.686 115.3 92.9 55.1 30.0 112.5 43.4 63.4 170 218 A T S < S- 0 0 51 -3,-1.1 -1,-0.2 2,-0.2 -3,-0.0 -0.905 80.4-126.6-144.0 164.6 116.0 43.9 62.1 171 219 A D S S+ 0 0 95 -2,-0.3 -23,-0.7 -3,-0.1 2,-0.2 0.140 82.0 99.5 -98.4 24.6 119.1 46.2 62.5 172 220 A L E -S 147 0C 10 -5,-0.4 -5,-2.2 -25,-0.2 2,-0.3 -0.704 52.3-163.0-118.5 159.1 119.2 46.7 58.7 173 221 A Y E -ST 146 166C 37 -27,-1.5 -27,-1.6 -7,-0.2 2,-0.3 -0.956 29.1-112.0-138.6 148.1 118.0 49.3 56.2 174 222 A L E -S 145 0C 0 -9,-2.7 2,-0.3 -2,-0.3 -29,-0.3 -0.645 40.4-124.2 -83.8 141.9 117.6 49.1 52.4 175 223 A T - 0 0 0 -31,-2.6 32,-2.5 -2,-0.3 3,-0.1 -0.680 13.6-155.0 -95.3 147.8 120.2 51.3 50.7 176 224 A G S S+ 0 0 21 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.603 82.4 10.7 -91.0 -15.2 119.4 54.0 48.3 177 225 A T > - 0 0 10 1,-0.1 3,-2.0 29,-0.1 4,-0.4 -0.951 68.6-118.7-162.6 150.8 122.9 53.6 46.6 178 226 A A T >> S+ 0 0 4 1,-0.3 4,-2.4 -2,-0.3 3,-0.7 0.693 102.7 78.3 -62.6 -21.6 125.9 51.3 46.5 179 227 A E H 3> S+ 0 0 21 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.845 86.2 65.2 -60.9 -24.6 128.3 54.1 47.8 180 228 A V H <> S+ 0 0 0 -3,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.913 112.3 30.6 -58.9 -42.1 126.7 53.3 51.2 181 229 A V H <> S+ 0 0 0 -3,-0.7 4,-1.1 -4,-0.4 3,-0.3 0.982 120.4 51.9 -81.7 -55.9 128.3 49.8 51.2 182 230 A L H >X S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.3 4,-0.5 0.869 109.3 52.3 -49.7 -39.9 131.4 50.7 49.1 183 231 A N H >< S+ 0 0 1 -4,-3.0 3,-0.5 -5,-0.3 -1,-0.3 0.953 109.3 48.2 -65.2 -48.2 132.1 53.6 51.5 184 232 A A H >< S+ 0 0 2 -4,-1.4 3,-1.3 -3,-0.3 -1,-0.3 0.602 87.4 88.3 -70.8 -13.1 131.9 51.4 54.6 185 233 A L H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.1 0.936 94.6 36.2 -56.0 -46.4 134.2 48.5 53.3 186 234 A H T X< S+ 0 0 10 -3,-0.5 3,-2.3 -4,-0.5 129,-0.3 0.334 81.7 143.6 -96.0 20.0 137.6 50.0 54.5 187 235 A S T < S+ 0 0 29 -3,-1.3 126,-0.2 1,-0.3 127,-0.2 -0.269 72.1 11.4 -65.0 126.6 136.3 51.5 57.6 188 236 A G T 3 S+ 0 0 43 125,-1.0 -1,-0.3 124,-0.4 2,-0.2 0.382 98.1 116.7 88.3 -5.8 139.0 51.2 60.3 189 237 A E < - 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0 0 27 -3,-2.3 2,-0.4 -4,-0.3 44,-0.1 -0.829 69.5-141.3-110.7 131.2 109.5 36.9 54.9 587 713 B W - 0 0 21 -2,-0.4 9,-2.4 9,-0.3 2,-0.2 -0.739 19.4-143.7 -83.7 125.0 111.0 40.2 55.9 588 714 B A B -A 595 0G 32 -2,-0.4 -420,-2.1 7,-0.2 2,-0.9 -0.612 15.0-123.5 -82.8 151.0 108.5 43.2 56.3 589 715 B I B > -U 167 0D 1 5,-1.9 3,-1.0 -422,-0.2 5,-0.4 -0.825 41.7-115.4 -92.7 107.7 109.5 46.8 55.3 590 716 B A T 3 S+ 0 0 31 -424,-2.0 -424,-0.4 -2,-0.9 3,-0.1 0.028 90.2 15.1 -46.4 147.1 108.9 48.8 58.5 591 717 B E T 3 S+ 0 0 193 1,-0.2 2,-0.3 -426,-0.1 -1,-0.2 0.683 111.4 87.9 58.8 27.3 106.2 51.4 58.6 592 718 B T S < S- 0 0 52 -3,-1.0 -1,-0.2 2,-0.2 -3,-0.1 -0.943 83.4-118.5-144.2 168.9 104.5 50.3 55.4 593 719 B D S S+ 0 0 96 -2,-0.3 -23,-0.8 -3,-0.1 2,-0.2 0.089 85.0 103.1 -93.7 27.4 101.9 47.8 54.2 594 720 B L E -Z 569 0G 13 -5,-0.4 -5,-1.9 -25,-0.2 2,-0.3 -0.716 49.8-166.7-120.6 154.1 104.6 46.1 52.2 595 721 B Y E -ZA 568 588G 44 -27,-1.8 -27,-2.1 -7,-0.3 2,-0.5 -0.964 28.8-112.5-136.9 147.6 106.8 43.0 52.4 596 722 B L E -Z 567 0G 1 -9,-2.4 -9,-0.3 -2,-0.3 -29,-0.3 -0.695 34.9-131.2 -84.5 126.8 109.9 41.8 50.5 597 723 B T - 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