==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-SEP-04 1XC4 . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.B.JANG . 480 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 2 0 0 6 6 2 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 3 8 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 77 0, 0.0 3,-2.2 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 156.2 65.3 -2.7 10.9 2 2 A E T 3> + 0 0 112 1,-0.3 4,-2.2 2,-0.2 5,-0.4 0.153 360.0 35.6 22.7 -96.1 64.3 -5.1 8.1 3 3 A R H 3> S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.886 123.8 44.2 -42.8 -55.2 60.6 -5.5 8.8 4 4 A Y H <> S+ 0 0 1 -3,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.932 115.0 50.9 -57.2 -47.4 60.3 -1.9 10.0 5 5 A E H >> S+ 0 0 126 -4,-0.5 4,-1.8 2,-0.2 3,-0.5 0.982 113.5 41.2 -51.6 -72.7 62.3 -0.7 7.0 6 6 A S H 3X S+ 0 0 34 -4,-2.2 4,-2.6 1,-0.3 5,-0.2 0.843 112.5 55.6 -45.2 -46.4 60.4 -2.5 4.3 7 7 A L H 3< S+ 0 0 25 -4,-2.6 4,-0.4 -5,-0.4 -1,-0.3 0.944 109.9 46.7 -55.3 -47.8 57.1 -1.7 5.9 8 8 A F H X S+ 0 0 55 -4,-1.8 4,-1.7 1,-0.2 3,-0.6 0.963 109.0 43.8 -67.9 -51.8 59.2 1.6 2.2 10 10 A Q H 3< S+ 0 0 109 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.472 110.0 59.8 -72.9 -0.3 55.8 0.2 1.0 11 11 A L H 34>S+ 0 0 8 -4,-0.4 5,-2.8 -3,-0.3 -1,-0.2 0.754 103.4 50.1 -93.2 -32.7 54.2 3.0 3.1 12 12 A K H X<5S+ 0 0 158 -4,-1.3 3,-3.5 -3,-0.6 -2,-0.2 0.984 107.9 51.0 -65.8 -61.4 55.9 5.7 1.1 13 13 A E T 3<5S+ 0 0 167 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.780 111.7 50.0 -46.3 -34.3 54.9 4.3 -2.3 14 14 A R T 3 5S- 0 0 150 -4,-0.3 228,-0.5 -5,-0.2 -1,-0.3 0.512 108.8-128.7 -85.1 -5.9 51.4 4.2 -1.0 15 15 A K T < 5 + 0 0 159 -3,-3.5 2,-0.3 1,-0.2 -3,-0.2 0.877 70.0 116.2 59.5 37.8 51.7 7.9 0.2 16 16 A E < - 0 0 32 -5,-2.8 225,-0.2 225,-0.2 -1,-0.2 -0.994 58.6-133.5-142.0 146.9 50.4 6.8 3.6 17 17 A G - 0 0 8 223,-1.8 2,-0.3 -2,-0.3 187,-0.3 -0.337 34.0 -98.5 -87.1 174.4 51.6 6.6 7.2 18 18 A A E -a 204 0A 1 185,-2.4 187,-2.4 -2,-0.1 2,-0.6 -0.690 17.4-146.2-100.6 149.2 51.3 3.7 9.6 19 19 A F E -a 205 0A 0 25,-0.3 27,-1.9 -2,-0.3 28,-0.9 -0.962 17.4-173.7-111.1 120.3 48.7 3.1 12.3 20 20 A V E -a 206 0A 0 185,-3.8 187,-0.8 -2,-0.6 28,-0.1 -0.801 5.6-162.5-120.6 91.6 50.3 1.3 15.3 21 21 A P E -a 207 0A 2 0, 0.0 28,-1.5 0, 0.0 2,-0.4 -0.268 12.4-137.4 -67.3 159.5 47.8 0.2 18.0 22 22 A F E +e 49 0B 39 185,-2.5 2,-0.3 26,-0.2 28,-0.2 -0.973 26.4 168.5-122.2 136.5 49.1 -0.7 21.4 23 23 A V E -e 50 0B 6 26,-1.4 28,-4.3 -2,-0.4 2,-0.6 -0.962 33.7-119.6-143.5 155.6 47.8 -3.6 23.4 24 24 A T E > -e 51 0B 39 -2,-0.3 3,-1.5 26,-0.2 28,-0.2 -0.887 38.7-111.5-103.0 116.2 48.9 -5.4 26.6 25 25 A L T 3 S+ 0 0 2 26,-2.4 5,-0.1 -2,-0.6 36,-0.1 -0.119 102.2 17.2 -45.3 130.3 49.7 -9.1 26.0 26 26 A G T 3 S+ 0 0 9 3,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.670 91.3 170.6 78.5 18.3 47.2 -11.3 27.8 27 27 A D S < S- 0 0 57 -3,-1.5 -1,-0.2 1,-0.2 -3,-0.1 -0.931 75.8 -10.2-112.4 118.8 44.7 -8.5 28.1 28 28 A P S S- 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.988 145.0 -19.6 -81.2 -16.4 42.0 -9.4 29.1 29 29 A G > - 0 0 25 1,-0.1 4,-3.0 27,-0.0 -3,-0.3 -0.926 58.7-112.4-144.3 168.4 43.1 -13.0 28.5 30 30 A I H > S+ 0 0 59 -2,-0.3 4,-2.2 -4,-0.2 5,-0.2 0.943 118.1 40.7 -69.0 -50.4 45.7 -14.9 26.6 31 31 A E H > S+ 0 0 165 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 122.1 43.8 -63.3 -44.3 43.3 -16.7 24.2 32 32 A Q H > S+ 0 0 31 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.934 108.8 57.4 -64.9 -48.9 41.4 -13.4 23.9 33 33 A S H >X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 3,-1.6 0.945 110.4 43.0 -47.7 -57.8 44.5 -11.3 23.6 34 34 A L H 3X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.3 5,-0.3 0.946 110.3 56.2 -54.5 -47.1 45.7 -13.2 20.6 35 35 A K H 3X S+ 0 0 116 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.3 0.712 111.1 48.7 -57.5 -18.5 42.1 -13.1 19.3 36 36 A I H X>S+ 0 0 2 -4,-2.4 5,-1.8 2,-0.2 3,-1.2 0.935 112.9 47.9 -59.8 -46.0 43.7 -5.4 15.0 41 41 A I H ><5S+ 0 0 21 -4,-2.5 3,-2.4 1,-0.3 -2,-0.2 0.983 109.1 49.1 -57.2 -65.5 45.9 -6.6 12.2 42 42 A E T 3<5S+ 0 0 134 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.317 107.2 61.9 -62.4 12.1 43.1 -7.6 9.7 43 43 A A T <45S- 0 0 13 -3,-1.2 191,-0.3 -5,-0.2 -1,-0.3 0.552 133.4 -70.7-112.4 -15.6 41.6 -4.2 10.4 44 44 A G T <<5S+ 0 0 19 -3,-2.4 -25,-0.3 -4,-0.5 -3,-0.2 0.201 78.0 148.2 146.6 -18.6 44.4 -2.0 9.1 45 45 A A < - 0 0 10 -5,-1.8 -1,-0.2 1,-0.2 -25,-0.2 -0.151 21.6-176.0 -47.9 129.9 47.2 -2.3 11.6 46 46 A D S S+ 0 0 22 -27,-1.9 2,-0.3 1,-0.4 -26,-0.2 0.673 72.3 7.7-101.5 -23.4 50.6 -1.9 9.9 47 47 A A S S- 0 0 2 -28,-0.9 -1,-0.4 28,-0.2 2,-0.2 -0.945 73.5-127.8-160.5 135.3 52.8 -2.6 12.9 48 48 A L E - f 0 77B 2 28,-1.6 30,-1.8 -2,-0.3 2,-0.5 -0.589 5.7-159.8 -89.8 148.2 52.0 -3.8 16.5 49 49 A E E -ef 22 78B 4 -28,-1.5 -26,-1.4 -2,-0.2 2,-0.6 -0.848 23.0-164.6-124.9 88.2 53.2 -2.1 19.7 50 50 A L E -ef 23 79B 2 28,-2.4 30,-1.9 -2,-0.5 -26,-0.2 -0.689 5.9-146.8 -86.9 117.6 52.8 -4.9 22.2 51 51 A G E -ef 24 80B 0 -28,-4.3 -26,-2.4 -2,-0.6 30,-0.2 -0.520 7.6-142.9 -81.4 145.9 52.9 -4.0 25.9 52 52 A I - 0 0 20 28,-1.7 30,-0.3 -2,-0.2 33,-0.1 -0.931 12.4-136.9-116.4 120.2 54.4 -6.4 28.5 53 53 A P 0 0 40 0, 0.0 8,-0.1 0, 0.0 28,-0.0 -0.329 360.0 360.0 -72.8 151.7 52.9 -6.8 32.0 54 54 A F 0 0 224 -2,-0.1 28,-0.3 3,-0.0 31,-0.2 -0.531 360.0 360.0 74.6 360.0 54.8 -7.0 35.3 55 ! 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 56 76 A V 0 0 84 0, 0.0 -31,-0.0 0, 0.0 -27,-0.0 0.000 360.0 360.0 360.0 107.6 50.6 -13.7 32.8 57 77 A T >> - 0 0 78 1,-0.1 4,-1.9 -3,-0.1 3,-0.5 -0.268 360.0-111.7 -77.6 166.4 54.2 -14.8 33.0 58 78 A P H 3> S+ 0 0 39 0, 0.0 4,-3.4 0, 0.0 5,-0.5 0.953 115.0 62.2 -62.0 -51.1 56.9 -13.8 30.5 59 79 A A H 3> S+ 0 0 58 1,-0.3 4,-0.7 2,-0.2 -2,-0.0 0.763 108.4 45.9 -46.7 -28.7 57.3 -17.3 29.0 60 80 A Q H <> S+ 0 0 60 -3,-0.5 4,-2.7 2,-0.2 -1,-0.3 0.908 110.1 50.5 -81.6 -48.1 53.7 -16.9 27.9 61 81 A C H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.3 -2,-0.2 0.895 115.6 44.1 -57.2 -39.6 54.0 -13.4 26.6 62 82 A F H X S+ 0 0 4 -4,-3.4 4,-2.0 2,-0.2 -1,-0.3 0.811 110.7 55.6 -73.2 -29.4 57.0 -14.6 24.6 63 83 A E H X S+ 0 0 121 -4,-0.7 4,-1.7 -5,-0.5 -2,-0.2 0.853 109.4 46.4 -70.2 -34.4 55.0 -17.7 23.7 64 84 A M H X S+ 0 0 3 -4,-2.7 4,-3.6 2,-0.2 -2,-0.2 0.909 109.5 53.3 -72.7 -43.5 52.3 -15.4 22.3 65 85 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.905 108.9 50.6 -57.2 -41.7 54.8 -13.3 20.4 66 86 A A H X S+ 0 0 39 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.924 112.7 46.4 -61.5 -44.3 56.1 -16.5 18.8 67 87 A L H X S+ 0 0 79 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.956 112.5 49.2 -61.9 -53.4 52.6 -17.4 17.8 68 88 A I H X S+ 0 0 1 -4,-3.6 4,-3.3 2,-0.2 -2,-0.2 0.959 111.7 49.4 -50.4 -59.1 51.7 -14.0 16.5 69 89 A R H < S+ 0 0 21 -4,-2.7 -1,-0.2 32,-0.3 -2,-0.2 0.928 111.7 47.6 -44.9 -58.0 54.9 -13.9 14.4 70 90 A E H < S+ 0 0 159 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.891 117.5 44.2 -53.5 -39.9 54.2 -17.4 13.0 71 91 A K H < S+ 0 0 91 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.3 0.813 128.6 27.4 -74.2 -31.8 50.7 -16.2 12.3 72 92 A H S < S- 0 0 25 -4,-3.3 3,-0.3 -5,-0.2 -1,-0.3 -0.712 70.9-179.8-136.0 82.4 51.9 -12.9 10.9 73 93 A P S S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.779 78.2 31.4 -52.5 -42.2 55.4 -13.1 9.4 74 94 A T S S+ 0 0 110 2,-0.1 -67,-0.1 -71,-0.0 -5,-0.1 0.653 83.2 116.6 -98.4 -16.0 56.1 -9.5 8.1 75 95 A I S S- 0 0 12 -3,-0.3 2,-0.4 -6,-0.1 -28,-0.2 -0.350 74.7-114.8 -56.3 119.1 54.1 -7.4 10.6 76 96 A P - 0 0 2 0, 0.0 -28,-1.6 0, 0.0 2,-0.7 -0.411 32.6-160.7 -60.9 112.4 56.6 -5.2 12.6 77 97 A I E +f 48 0B 1 -2,-0.4 27,-4.3 25,-0.3 28,-1.2 -0.874 16.1 170.9-102.5 111.5 56.5 -6.5 16.2 78 98 A G E -fg 49 105B 0 -30,-1.8 -28,-2.4 -2,-0.7 2,-0.2 -0.952 19.0-144.4-120.6 140.6 57.8 -4.0 18.7 79 99 A L E -fg 50 106B 0 26,-2.3 28,-2.1 -2,-0.4 2,-0.4 -0.652 3.9-155.9-102.9 161.4 57.5 -4.3 22.5 80 100 A L E +fg 51 107B 46 -30,-1.9 -28,-1.7 -2,-0.2 2,-0.3 -0.942 34.8 125.6-138.9 111.4 57.0 -1.7 25.1 81 101 A M E - g 0 108B 6 26,-2.1 28,-1.3 -2,-0.4 2,-0.2 -0.936 51.3 -93.8-155.3 177.4 58.1 -2.3 28.7 82 102 A Y > - 0 0 153 -30,-0.3 4,-0.7 -28,-0.3 3,-0.3 -0.492 43.9-102.3 -93.6 167.7 60.1 -1.2 31.8 83 103 A A H > S+ 0 0 5 1,-0.2 4,-3.8 -2,-0.2 5,-0.2 0.630 102.6 78.3 -67.2 -19.2 63.6 -2.3 32.7 84 104 A N H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.964 92.3 47.1 -57.4 -59.0 62.7 -4.8 35.4 85 105 A L H > S+ 0 0 15 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.921 118.9 44.0 -49.4 -46.4 61.6 -7.8 33.2 86 106 A V H < S+ 0 0 0 -4,-0.7 4,-0.4 1,-0.2 -1,-0.2 0.959 112.9 49.3 -63.6 -52.2 64.8 -7.2 31.2 87 107 A F H < S+ 0 0 121 -4,-3.8 3,-0.4 1,-0.2 -1,-0.2 0.776 109.8 58.2 -58.5 -23.1 66.9 -6.7 34.3 88 108 A N H < S+ 0 0 110 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.944 109.7 37.1 -71.4 -52.5 65.3 -9.9 35.5 89 109 A K S < S- 0 0 29 -4,-2.0 4,-0.2 -5,-0.1 -1,-0.2 0.157 124.1 -94.1 -88.1 18.3 66.3 -12.3 32.6 90 110 A G > - 0 0 36 -3,-0.4 4,-1.9 -4,-0.4 -3,-0.1 0.700 38.4-101.4 70.4 117.1 69.8 -10.7 32.2 91 111 A I H >> S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.848 119.2 45.2 -33.3 -64.8 69.9 -8.0 29.5 92 112 A D H 3> S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.918 110.5 50.8 -50.6 -57.2 71.5 -10.2 26.9 93 113 A E H 3> S+ 0 0 118 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.799 107.7 57.6 -55.0 -29.0 69.3 -13.3 27.3 94 114 A F H XX S+ 0 0 0 -4,-1.9 4,-1.2 -3,-0.7 3,-0.9 1.000 111.5 37.6 -63.9 -66.6 66.2 -11.1 27.1 95 115 A Y H >X S+ 0 0 3 -4,-1.7 4,-2.9 1,-0.3 3,-0.5 0.861 114.9 55.9 -52.0 -40.0 67.0 -9.7 23.7 96 116 A A H 3X S+ 0 0 9 -4,-2.9 4,-0.8 1,-0.3 -1,-0.3 0.874 108.9 47.8 -61.9 -34.4 68.3 -13.0 22.6 97 117 A R H -g 81 0B 13 -2,-0.6 3,-1.6 23,-0.5 -26,-0.2 -0.694 6.0-164.5 -99.7 83.2 62.6 0.1 27.6 109 129 A A T 3 S+ 0 0 29 -28,-1.3 -1,-0.2 -2,-1.0 -27,-0.1 0.792 79.2 46.9 -26.0 -94.5 60.9 3.1 29.2 110 130 A D T 3 S+ 0 0 75 2,-0.0 -1,-0.3 -29,-0.0 -28,-0.1 0.615 88.3 99.6 -31.0 -28.4 62.7 3.7 32.5 111 131 A V S < S- 0 0 24 -3,-1.6 5,-0.1 2,-0.0 -3,-0.1 -0.536 73.4-141.1 -67.8 114.3 66.1 3.4 30.9 112 132 A P > - 0 0 68 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.370 23.3-105.9 -72.5 162.4 67.3 6.9 30.3 113 133 A V G > S+ 0 0 25 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.854 116.9 50.1 -57.0 -40.8 69.1 7.7 27.1 114 134 A E G 3 S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.639 111.8 48.1 -75.6 -14.3 72.6 7.9 28.6 115 135 A E G < S+ 0 0 117 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.234 84.2 94.1-109.4 13.1 72.3 4.7 30.5 116 136 A S X> + 0 0 5 -3,-1.0 3,-3.0 -4,-0.2 4,-2.0 0.723 49.8 108.1 -75.2 -24.8 71.0 2.7 27.5 117 137 A A H 3> S+ 0 0 33 1,-0.3 4,-2.0 -4,-0.2 5,-0.2 0.710 77.6 46.3 -21.0 -65.4 74.4 1.4 26.5 118 138 A P H 3> S+ 0 0 58 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.793 118.1 44.0 -58.1 -27.8 74.0 -2.2 27.5 119 139 A F H <> S+ 0 0 10 -3,-3.0 4,-3.2 2,-0.2 5,-0.4 0.917 108.8 54.2 -81.5 -47.7 70.6 -2.4 25.9 120 140 A R H X S+ 0 0 56 -4,-2.0 4,-1.1 1,-0.2 -3,-0.2 0.848 116.3 42.3 -53.6 -34.4 71.6 -0.7 22.7 121 141 A Q H X S+ 0 0 98 -4,-2.0 4,-2.8 -5,-0.4 5,-0.2 0.948 111.8 51.9 -77.6 -52.5 74.3 -3.3 22.4 122 142 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.862 111.8 47.4 -51.5 -43.9 72.2 -6.3 23.5 123 143 A A H <>S+ 0 0 0 -4,-3.2 5,-3.1 1,-0.2 -1,-0.2 0.896 113.4 48.3 -67.7 -39.7 69.6 -5.5 20.9 124 144 A L H ><5S+ 0 0 73 -4,-1.1 3,-0.9 -5,-0.4 -2,-0.2 0.849 109.6 52.8 -69.0 -33.4 72.3 -5.0 18.3 125 145 A R H 3<5S+ 0 0 130 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 117.5 37.7 -68.2 -37.8 73.9 -8.3 19.2 126 146 A H T 3<5S- 0 0 27 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.165 117.2-105.7-108.6 40.3 70.6 -10.1 18.8 127 147 A N T < 5S+ 0 0 94 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.855 74.9 132.8 36.3 61.3 69.3 -8.3 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3,-2.0 1,-0.2 -1,-0.2 0.872 108.9 56.3 -64.3 -39.5 50.8 12.3 9.5 199 225 A D H 3<5S+ 0 0 106 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.917 100.2 61.3 -60.4 -38.3 50.4 15.7 7.9 200 226 A A T 3<5S- 0 0 23 -4,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.579 128.1-101.4 -63.3 -8.7 53.0 17.0 10.4 201 227 A G T < 5S+ 0 0 30 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.464 73.5 144.6 103.0 1.6 55.4 14.5 8.7 202 228 A A < - 0 0 8 -5,-1.6 -1,-0.3 -6,-0.2 -19,-0.2 -0.390 52.2-131.8 -70.9 156.4 55.4 11.7 11.2 203 229 A A S S- 0 0 24 -21,-2.7 -185,-2.4 1,-0.2 2,-0.2 0.456 75.3 -24.6 -88.3 -3.1 55.6 8.2 9.8 204 230 A G E -ad 18 183A 0 -22,-0.7 -20,-2.0 -187,-0.3 2,-0.3 -0.878 59.1-111.5 166.4 162.0 52.7 6.9 11.8 205 231 A A E -ad 19 184A 1 -187,-2.4 -185,-3.8 -2,-0.2 2,-0.4 -0.792 15.0-152.0-118.0 160.0 50.6 7.0 14.9 206 232 A I E +a 20 0A 7 -22,-1.6 -20,-0.5 -2,-0.3 -18,-0.4 -0.986 12.8 177.5-130.6 136.7 50.1 4.9 18.0 207 233 A S E +a 21 0A 5 -187,-0.8 -185,-2.5 -2,-0.4 -18,-0.1 -0.980 16.6 150.7-136.8 149.4 47.0 4.6 20.3 208 234 A G > + 0 0 15 -2,-0.3 4,-1.6 -187,-0.2 5,-0.1 0.472 64.6 68.4-146.9 -34.4 46.4 2.4 23.3 209 235 A S H >> S+ 0 0 77 2,-0.2 4,-2.8 1,-0.2 3,-0.9 0.977 103.9 46.8 -56.5 -58.6 43.9 4.0 25.6 210 236 A A H 3> S+ 0 0 17 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.896 109.0 55.4 -50.2 -46.4 41.0 3.6 23.2 211 237 A I H 3> S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.847 111.9 45.6 -56.3 -35.5 42.0 0.0 22.6 212 238 A V H < S+ 0 0 123 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.967 107.0 46.0 -67.7 -56.5 36.7 -2.6 29.0 217 243 A Q H 3< S+ 0 0 138 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.692 124.5 36.6 -62.2 -18.8 33.1 -1.9 27.8 218 244 A H T >< S+ 0 0 21 -4,-1.3 3,-1.3 -5,-0.2 7,-0.4 0.076 72.2 122.7-122.5 24.4 33.1 -5.4 26.2 219 245 A I T < S+ 0 0 94 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.315 85.5 45.7 -70.1 13.4 35.1 -7.4 28.7 220 246 A N T 3 S+ 0 0 128 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.443 104.9 61.4-126.3 -17.7 32.0 -9.6 28.9 221 247 A E <> + 0 0 57 -3,-1.3 4,-4.3 1,-0.2 5,-0.3 -0.700 59.0 177.1-116.2 77.6 31.3 -9.9 25.2 222 248 A P H > S+ 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