==== 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 29-AUG-06 2I6Y . COMPND 2 MOLECULE: ANTHRANILATE SYNTHASE COMPONENT I, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.ZWAHLEN,K.SUBRAMANIAPILLAI,R.ZHOU,C.KISKER,P.J.TONGE . 419 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 28.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 23 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 0 0 1 1 4 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 4 2 7 5 2 0 0 0 1 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 1 0 1 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 17 A S 0 0 101 0, 0.0 132,-0.3 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 100.7 29.7 68.9 54.1 2 18 A I E -A 132 0A 52 130,-3.1 130,-3.1 1,-0.0 2,-0.1 -0.782 360.0-109.3-105.9 143.8 28.7 66.7 51.1 3 19 A P E -A 131 0A 95 0, 0.0 128,-0.3 0, 0.0 127,-0.1 -0.394 40.0-103.2 -56.3 144.5 25.6 64.5 50.5 4 20 A M - 0 0 24 126,-1.5 3,-0.1 125,-0.1 5,-0.0 -0.631 33.3-111.5 -73.6 131.2 25.9 60.7 50.6 5 21 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.376 52.6-111.9 -41.2 -10.2 25.9 59.1 47.0 6 22 A A S S+ 0 0 88 2,-0.3 3,-0.1 123,-0.2 124,-0.0 0.818 98.1 24.1 72.3 113.2 22.4 57.4 47.6 7 23 A G S S+ 0 0 92 1,-0.3 2,-0.4 -3,-0.1 -1,-0.0 0.792 97.4 117.6 66.0 28.9 22.3 53.6 47.9 8 24 A V - 0 0 30 121,-0.1 -2,-0.3 144,-0.0 -1,-0.3 -0.999 68.6-118.9-125.1 129.3 26.0 53.7 49.0 9 25 A N > - 0 0 102 -2,-0.4 4,-3.1 1,-0.1 3,-0.4 -0.523 6.1-138.2 -83.0 130.8 26.7 52.4 52.5 10 26 A P H > S+ 0 0 24 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.856 105.3 45.3 -48.7 -47.6 28.3 54.7 55.1 11 27 A A H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.858 114.0 49.1 -64.6 -40.4 30.7 52.0 56.4 12 28 A D H > S+ 0 0 35 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.949 114.6 44.7 -64.2 -48.3 31.7 51.0 52.9 13 29 A L H X S+ 0 0 4 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.899 115.0 48.8 -61.3 -43.4 32.3 54.6 51.9 14 30 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.2 0.850 113.2 46.1 -68.3 -36.0 34.2 55.3 55.2 15 31 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.840 112.3 51.6 -76.5 -32.7 36.3 52.2 54.8 16 32 A E H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.745 105.9 55.5 -72.9 -27.0 37.0 53.1 51.2 17 33 A L H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.873 104.1 53.5 -68.3 -41.5 38.0 56.6 52.2 18 34 A A H X S+ 0 0 0 -4,-1.4 4,-0.5 1,-0.2 -2,-0.2 0.935 110.6 47.3 -57.3 -47.7 40.6 55.1 54.6 19 35 A A H X S+ 0 0 22 -4,-1.6 4,-2.7 2,-0.2 3,-0.3 0.897 115.1 44.1 -60.7 -44.6 42.1 53.1 51.7 20 36 A V H X S+ 0 0 28 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.951 112.1 49.8 -70.3 -51.5 42.2 56.0 49.2 21 37 A V H X S+ 0 0 3 -4,-2.3 4,-0.7 1,-0.2 6,-0.4 0.566 116.6 47.2 -62.7 -9.3 43.6 58.6 51.5 22 38 A T H <>S+ 0 0 15 -4,-0.5 5,-0.5 -3,-0.3 -2,-0.2 0.877 108.7 47.0 -98.1 -53.3 46.3 56.0 52.4 23 39 A E H <5S+ 0 0 88 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.787 108.5 65.4 -54.5 -28.8 47.4 54.7 49.0 24 40 A S H <5S- 0 0 58 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.991 126.5 -7.2 -57.2 -66.5 47.5 58.5 48.3 25 41 A V T <5S- 0 0 59 -4,-0.7 -3,-0.1 -5,-0.1 -4,-0.0 0.477 91.8 -97.0 -92.9-128.5 50.4 59.3 50.7 26 42 A D T 5 + 0 0 132 -5,-0.1 2,-0.2 2,-0.1 -3,-0.1 -0.265 65.8 167.7-139.4 62.4 51.6 56.6 53.1 27 43 A E < - 0 0 31 -5,-0.5 2,-0.1 -6,-0.4 16,-0.1 -0.471 35.6-137.3 -88.0 134.8 49.4 57.8 56.0 28 44 A D + 0 0 40 -2,-0.2 2,-0.3 197,-0.1 197,-0.2 -0.426 36.7 166.9 -67.7 157.8 48.5 56.2 59.3 29 45 A Y E -B 224 0A 2 195,-1.7 195,-2.2 -2,-0.1 2,-0.3 -0.960 33.3-137.2-164.8 174.2 44.9 56.6 60.3 30 46 A L E -BC 223 41A 1 11,-1.2 11,-2.7 -2,-0.3 2,-0.5 -0.893 12.1-161.5-147.2 109.1 42.1 55.4 62.6 31 47 A L E -BC 222 40A 1 191,-4.0 191,-2.7 -2,-0.3 2,-0.4 -0.839 17.8-175.2 -90.7 129.8 38.6 54.8 61.3 32 48 A Y E -BC 221 39A 2 7,-3.5 7,-3.3 -2,-0.5 2,-0.4 -0.973 14.8-158.7-135.1 118.8 36.2 54.8 64.2 33 49 A E E -BC 220 38A 10 187,-3.8 187,-1.3 -2,-0.4 2,-0.3 -0.844 14.6-179.7 -99.4 137.2 32.4 54.0 64.2 34 50 A C E > -BC 219 37A 39 3,-3.2 3,-1.4 -2,-0.4 2,-0.5 -0.842 61.2 -45.0-148.4 100.0 30.2 55.3 67.0 35 51 A D T 3 S- 0 0 108 183,-1.4 3,-0.1 -2,-0.3 184,-0.1 0.137 130.0 -27.5 64.8 -20.1 26.4 54.9 67.6 36 52 A G T 3 S+ 0 0 42 -2,-0.5 93,-0.3 1,-0.5 2,-0.3 0.313 120.9 82.4 166.7 -9.0 25.9 55.7 63.9 37 53 A Q E < -C 34 0A 26 -3,-1.4 -3,-3.2 91,-0.1 -1,-0.5 -0.848 59.3-144.6-107.9 148.9 28.7 57.9 62.6 38 54 A W E -CD 33 127A 18 89,-2.2 89,-2.4 -2,-0.3 2,-0.4 -0.878 10.4-157.8-103.2 142.1 32.2 56.9 61.4 39 55 A V E -CD 32 126A 19 -7,-3.3 -7,-3.5 -2,-0.4 2,-0.7 -0.996 3.0-160.9-117.0 129.8 35.2 59.1 62.0 40 56 A L E -CD 31 125A 1 85,-1.8 85,-1.4 -2,-0.4 2,-1.0 -0.936 3.3-161.6-101.7 106.2 38.3 58.9 59.9 41 57 A A E -CD 30 124A 0 -11,-2.7 -11,-1.2 -2,-0.7 83,-0.2 -0.810 22.7-176.8 -81.1 101.3 41.3 60.4 61.7 42 58 A A + 0 0 0 81,-3.7 -1,-0.2 -2,-1.0 82,-0.1 0.990 39.1 29.1 -79.1 -69.5 43.4 60.8 58.6 43 59 A G - 0 0 0 80,-0.1 2,-0.4 -16,-0.1 80,-0.1 -0.091 66.2-118.7 -87.5-173.9 46.9 62.1 59.0 44 60 A V + 0 0 33 77,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.975 33.1 160.9-119.6 118.1 49.7 62.2 61.6 45 61 A Q S S- 0 0 40 75,-2.3 2,-0.3 1,-0.5 -1,-0.1 0.862 78.3 -9.5 -87.0 -56.0 50.8 65.6 62.9 46 62 A A E -K 120 0B 4 74,-0.6 74,-1.5 14,-0.1 -1,-0.5 -0.952 64.7-150.1-140.5 158.6 52.4 64.2 66.0 47 63 A M E -KL 119 58B 9 11,-2.0 11,-3.0 -2,-0.3 2,-0.6 -0.998 3.4-155.7-134.9 130.8 52.5 60.8 67.8 48 64 A V E -KL 118 57B 1 70,-4.6 70,-2.6 -2,-0.4 2,-0.5 -0.934 13.7-176.0-102.3 121.7 52.9 59.9 71.4 49 65 A E E -KL 117 56B 32 7,-3.3 7,-2.9 -2,-0.6 2,-0.8 -0.941 3.6-169.6-119.3 105.0 54.3 56.4 71.9 50 66 A L E +KL 116 55B 0 66,-2.0 65,-3.2 -2,-0.5 66,-1.8 -0.867 12.5 177.2 -99.2 113.1 54.5 55.4 75.6 51 67 A D E -K 114 0B 4 3,-2.8 61,-0.1 -2,-0.8 -2,-0.0 -0.621 45.1-102.2-103.1 173.8 56.4 52.2 76.1 52 68 A S S S+ 0 0 33 61,-1.7 60,-0.1 -2,-0.2 3,-0.1 0.799 121.8 27.6 -58.2 -34.1 57.4 50.3 79.2 53 69 A D S S+ 0 0 64 58,-0.3 2,-0.3 1,-0.2 15,-0.3 0.672 126.0 18.8-105.5 -20.8 61.0 51.8 79.1 54 70 A E - 0 0 50 13,-0.1 -3,-2.8 2,-0.0 2,-0.5 -0.958 56.4-129.5-146.8 156.1 60.5 55.1 77.3 55 71 A L E -LM 50 66B 9 11,-3.7 11,-2.5 -2,-0.3 2,-0.4 -0.983 29.7-173.2-102.2 124.3 58.3 58.0 76.2 56 72 A R E -LM 49 65B 35 -7,-2.9 -7,-3.3 -2,-0.5 2,-0.4 -0.967 8.4-171.4-113.0 137.7 58.7 58.8 72.5 57 73 A V E -LM 48 64B 44 7,-1.7 7,-2.0 -2,-0.4 2,-0.5 -0.991 9.8-163.2-123.3 117.6 57.1 61.9 70.9 58 74 A I E +LM 47 63B 38 -11,-3.0 -11,-2.0 -2,-0.4 5,-0.2 -0.910 18.1 158.2-113.5 121.9 57.4 62.0 67.1 59 75 A R - 0 0 134 3,-2.4 2,-1.6 -2,-0.5 -1,-0.1 0.485 65.1 -10.3-106.7-117.1 56.7 65.2 65.1 60 76 A D S S- 0 0 92 1,-0.1 2,-0.4 -14,-0.0 3,-0.1 -0.365 125.9 -52.7 -92.2 56.9 57.8 66.4 61.7 61 77 A G S S+ 0 0 63 -2,-1.6 -1,-0.1 1,-0.3 2,-0.1 -0.497 116.8 99.0 107.0 -60.1 60.3 63.5 61.2 62 78 A V - 0 0 95 -2,-0.4 -3,-2.4 -4,-0.1 2,-0.3 -0.349 59.9-147.4 -68.7 137.0 62.3 63.9 64.5 63 79 A T E -M 58 0B 52 -5,-0.2 2,-0.5 -2,-0.1 -5,-0.2 -0.772 1.5-150.5 -96.3 145.3 61.6 61.7 67.5 64 80 A R E -M 57 0B 164 -7,-2.0 -7,-1.7 -2,-0.3 2,-0.4 -0.949 18.0-163.9-117.4 106.7 62.0 63.0 71.1 65 81 A R E +M 56 0B 142 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.745 16.4 162.0 -94.2 136.2 63.0 60.1 73.3 66 82 A Q E -M 55 0B 106 -11,-2.5 -11,-3.7 -2,-0.4 2,-0.2 -0.996 36.8-115.9-155.8 153.1 62.7 60.3 77.1 67 83 A Q - 0 0 86 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.1 -0.520 31.8-170.2 -81.3 155.3 62.6 58.4 80.5 68 84 A W - 0 0 49 -15,-0.3 -2,-0.0 -2,-0.2 7,-0.0 -0.953 5.5-148.4-145.7 164.1 59.4 58.6 82.6 69 85 A S - 0 0 110 -2,-0.3 -1,-0.1 1,-0.2 6,-0.0 0.595 46.2 -2.9-109.9-116.0 58.5 57.5 86.2 70 86 A G S S+ 0 0 43 1,-0.1 5,-0.4 2,-0.1 -1,-0.2 -0.170 105.1 20.8 -82.8 178.1 55.5 56.3 88.2 71 87 A R >> - 0 0 40 1,-0.1 4,-1.4 3,-0.1 3,-1.2 0.821 65.0-142.2 29.8 98.5 51.9 55.9 87.2 72 88 A P H 3> S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.834 97.0 70.2 -53.3 -33.3 51.9 55.6 83.3 73 89 A G H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 250,-0.2 0.830 100.5 43.4 -49.1 -43.2 48.6 57.7 83.5 74 90 A A H <> S+ 0 0 52 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.896 113.7 49.6 -74.9 -41.1 50.4 60.9 84.5 75 91 A A H X S+ 0 0 11 -4,-1.4 4,-1.6 -5,-0.4 -2,-0.2 0.911 117.6 41.3 -64.0 -41.1 53.3 60.4 82.0 76 92 A L H X S+ 0 0 0 -4,-2.9 4,-3.7 2,-0.2 5,-0.2 0.950 111.2 55.6 -69.5 -50.4 50.8 59.9 79.2 77 93 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.857 108.6 48.5 -51.7 -46.3 48.3 62.6 80.3 78 94 A E H X S+ 0 0 143 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.951 113.4 46.5 -58.4 -50.1 51.1 65.2 80.2 79 95 A A H X S+ 0 0 12 -4,-1.6 4,-2.2 1,-0.2 3,-0.3 0.934 112.5 50.5 -61.0 -43.6 52.2 64.1 76.8 80 96 A V H X S+ 0 0 0 -4,-3.7 4,-1.6 1,-0.2 -1,-0.2 0.915 107.8 53.7 -60.9 -41.1 48.6 64.1 75.6 81 97 A D H < S+ 0 0 73 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.849 108.2 48.7 -60.3 -37.3 48.1 67.6 76.9 82 98 A R H >< S+ 0 0 62 -4,-1.7 3,-1.3 -3,-0.3 4,-0.4 0.890 108.2 55.7 -73.0 -37.1 51.1 69.0 75.0 83 99 A L H 3< S+ 0 0 16 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.837 111.4 43.4 -56.1 -36.3 49.8 67.2 71.9 84 100 A L T 3< S+ 0 0 11 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.188 80.8 104.5-101.1 11.2 46.4 69.1 72.3 85 101 A L S < S+ 0 0 127 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.897 103.6 12.6 -51.3 -44.4 48.0 72.5 73.1 86 102 A E S S+ 0 0 182 -3,-0.4 2,-0.3 -4,-0.4 -1,-0.2 0.269 123.2 64.1-126.3 11.0 47.1 73.6 69.6 87 103 A T - 0 0 21 -4,-0.1 3,-0.0 1,-0.1 -1,-0.0 -0.976 65.6-137.9-137.0 152.0 44.7 70.9 68.2 88 104 A D S S+ 0 0 117 -2,-0.3 278,-2.8 277,-0.1 2,-0.3 0.833 76.8 33.3 -72.7 -41.1 41.2 69.8 69.2 89 105 A Q E -N 365 0B 40 276,-0.2 2,-0.3 32,-0.1 276,-0.2 -0.907 50.0-175.0-133.5 147.2 41.3 66.0 69.0 90 106 A A E -N 364 0B 0 274,-1.8 274,-2.5 -2,-0.3 2,-0.3 -0.955 7.8-172.0-135.8 158.6 43.6 63.0 69.5 91 107 A F E +NO 363 119B 0 28,-2.6 28,-2.9 -2,-0.3 2,-0.3 -0.958 26.1 107.1-148.3 154.1 43.1 59.3 68.8 92 108 A G E - O 0 118B 0 270,-1.5 2,-0.3 269,-0.5 26,-0.3 -0.978 52.4 -85.9 166.4-154.5 45.0 56.1 69.6 93 109 A W E - O 0 117B 11 24,-2.7 24,-3.2 -2,-0.3 2,-0.4 -0.978 15.3-143.3-149.5 161.7 44.9 53.1 71.8 94 110 A V E -PO 360 116B 0 266,-2.1 266,-2.0 -2,-0.3 22,-0.3 -0.967 26.5-129.0-128.4 136.8 46.0 52.0 75.2 95 111 A A > - 0 0 0 20,-3.3 3,-2.9 -2,-0.4 4,-0.4 -0.539 21.9-112.9 -91.6 154.1 47.3 48.4 75.8 96 112 A F G > S+ 0 0 0 261,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.901 118.8 64.6 -40.1 -47.5 46.2 45.9 78.5 97 113 A E G > S+ 0 0 4 1,-0.3 3,-1.1 17,-0.2 -1,-0.3 0.541 82.1 78.5 -62.4 -7.6 49.7 46.4 79.9 98 114 A F G X S+ 0 0 1 -3,-2.9 3,-0.5 1,-0.3 -1,-0.3 0.853 93.4 49.3 -70.8 -32.8 48.8 50.0 80.6 99 115 A G G <> S+ 0 0 0 -3,-2.0 4,-0.6 -4,-0.4 -1,-0.3 0.152 89.2 89.3 -86.7 20.2 46.9 48.9 83.7 100 116 A V G <4>S+ 0 0 0 -3,-1.1 5,-2.0 1,-0.2 6,-0.2 0.701 71.7 65.1 -99.9 -19.1 49.7 46.7 85.0 101 117 A H T X45S+ 0 0 57 -3,-0.5 3,-2.2 -4,-0.3 5,-0.2 0.899 91.8 66.1 -67.6 -44.4 51.6 49.3 87.1 102 118 A R T 345S+ 0 0 62 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.912 105.7 41.4 -40.7 -59.8 48.7 49.6 89.5 103 119 A Y T 3<5S- 0 0 61 -4,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.040 119.8-111.6 -81.0 27.1 49.1 45.9 90.7 104 120 A G T < 5S+ 0 0 50 -3,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.839 81.7 121.2 39.9 57.2 52.8 46.3 90.7 105 121 A L > < + 0 0 26 -5,-2.0 3,-1.0 2,-0.1 -4,-0.2 0.125 27.3 113.7-125.1 18.2 53.8 44.0 87.8 106 122 A Q G > S+ 0 0 76 1,-0.3 3,-1.2 -6,-0.2 -5,-0.1 0.766 72.1 65.8 -62.7 -26.5 55.6 46.5 85.4 107 123 A Q G 3 S+ 0 0 98 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.869 89.1 64.2 -60.9 -39.1 58.8 44.5 86.1 108 124 A R G < S+ 0 0 119 -3,-1.0 2,-0.3 2,-0.0 -1,-0.2 0.469 85.9 104.5 -64.3 0.3 57.3 41.4 84.3 109 125 A L S < S- 0 0 29 -3,-1.2 4,-0.1 -4,-0.1 -3,-0.0 -0.682 76.3-115.5 -96.2 134.1 57.3 43.5 81.1 110 126 A A > - 0 0 61 -2,-0.3 3,-1.2 1,-0.1 -58,-0.2 -0.253 41.0 -94.5 -70.0 154.7 59.8 43.0 78.3 111 127 A P T 3 S+ 0 0 98 0, 0.0 -58,-0.3 0, 0.0 -1,-0.1 0.626 117.5 32.4 -48.0 -29.5 62.1 46.0 77.5 112 128 A H T 3 S+ 0 0 123 -60,-0.1 -2,-0.1 -59,-0.1 0, 0.0 -0.290 77.8 161.4-122.0 50.3 60.1 47.7 74.7 113 129 A T < - 0 0 8 -3,-1.2 -61,-1.7 1,-0.1 -60,-0.1 -0.558 40.0-123.4 -85.5 119.9 56.5 47.0 75.7 114 130 A P E +K 51 0B 42 0, 0.0 -63,-0.2 0, 0.0 -17,-0.2 -0.350 34.5 169.6 -58.4 132.8 53.9 49.2 74.0 115 131 A L E - 0 0 7 -65,-3.2 -20,-3.3 1,-0.4 2,-0.3 0.750 63.0 -13.1-107.8 -45.5 51.7 51.0 76.6 116 132 A A E -KO 50 94B 0 -66,-1.8 -66,-2.0 -22,-0.3 -1,-0.4 -0.983 47.2-155.6-153.4 158.3 49.8 53.5 74.5 117 133 A R E +KO 49 93B 21 -24,-3.2 -24,-2.7 -2,-0.3 2,-0.4 -0.973 22.2 168.1-135.3 117.6 49.7 55.1 71.1 118 134 A V E +KO 48 92B 0 -70,-2.6 -70,-4.6 -2,-0.4 2,-0.3 -0.997 2.7 169.7-133.1 141.5 48.1 58.5 70.7 119 135 A F E -KO 47 91B 0 -28,-2.9 -28,-2.6 -2,-0.4 -72,-0.2 -0.974 32.3-126.9-143.6 150.6 48.3 60.9 67.7 120 136 A S E -K 46 0B 0 -74,-1.5 -75,-2.3 -2,-0.3 -74,-0.6 -0.884 37.0-130.6 -93.2 135.8 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S < - 0 0 14 -3,-2.7 3,-0.1 -223,-0.1 -4,-0.1 -0.331 43.9-149.8 -79.8 156.2 34.4 25.7 83.2 399 427 A E > - 0 0 123 1,-0.2 4,-2.9 -2,-0.1 5,-0.4 -0.986 18.6-132.2-130.9 128.8 35.5 23.0 80.8 400 428 A P H > S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.892 106.8 45.0 -40.0 -58.8 38.4 23.0 78.3 401 429 A E H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.912 116.3 41.6 -53.5 -59.2 36.2 21.7 75.4 402 430 A R H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.943 116.3 52.1 -56.6 -45.5 33.1 23.9 75.9 403 431 A E H X S+ 0 0 24 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.849 109.5 49.1 -60.0 -37.6 35.4 26.8 76.5 404 432 A F H X S+ 0 0 8 -4,-2.4 4,-1.7 -5,-0.4 -1,-0.2 0.915 111.5 46.8 -68.3 -46.6 37.3 26.2 73.3 405 433 A E H X S+ 0 0 100 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.807 106.6 62.0 -68.4 -28.0 34.2 25.8 71.2 406 434 A E H X S+ 0 0 50 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.940 106.0 43.9 -52.0 -52.5 33.0 29.0 72.9 407 435 A T H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.804 107.5 60.4 -69.9 -28.5 36.1 30.8 71.4 408 436 A C H X S+ 0 0 29 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.937 107.1 46.1 -57.9 -49.3 35.4 29.1 68.0 409 437 A E H >< S+ 0 0 135 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.889 111.8 50.6 -62.4 -41.1 32.0 30.8 67.9 410 438 A K H >< S+ 0 0 11 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.814 107.4 56.4 -66.9 -26.0 33.5 34.1 69.0 411 439 A L H >X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 3,-1.1 0.691 93.6 65.9 -77.8 -19.1 36.1 33.8 66.2 412 440 A S T << S+ 0 0 54 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.1 0.136 79.2 77.0-101.3 18.1 33.7 33.4 63.3 413 441 A T T <4 S+ 0 0 26 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.1 0.376 120.3 17.8 -90.3 -8.6 32.3 36.9 63.6 414 442 A L T X4 S+ 0 0 7 -3,-1.1 3,-1.8 -36,-0.1 -2,-0.3 0.588 113.0 76.7-121.4 -43.9 35.6 37.5 61.9 415 443 A T G >< S+ 0 0 7 -4,-3.0 -253,-0.8 1,-0.3 3,-0.7 0.716 95.7 43.1 -52.1 -43.9 36.8 34.1 60.4 416 444 A P G 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.613 110.3 59.8 -79.6 -5.2 34.6 33.8 57.3 417 445 A Y G < + 0 0 34 -3,-1.8 -206,-0.3 1,-0.1 -2,-0.2 0.181 63.5 130.3-104.8 15.6 35.1 37.5 56.3 418 446 A L < - 0 0 7 -258,-1.0 -215,-0.3 -3,-0.7 -211,-0.2 0.311 42.2-163.6 -66.1 2.2 38.9 37.5 55.9 419 447 A V - 0 0 2 -213,-0.2 -216,-2.2 -3,-0.2 -212,-0.2 0.656 18.5-131.2 11.9 97.8 39.3 39.2 52.4 420 448 A A B W 202 0C 28 -262,-0.4 -218,-0.2 -218,-0.2 -1,-0.1 -0.198 360.0 360.0 -66.1 154.8 42.8 38.4 51.2 421 449 A R 0 0 192 -220,-1.8 -1,-0.1 -215,-0.0 -220,-0.1 -0.429 360.0 360.0 -62.0 360.0 45.2 41.1 49.8