==== 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 HYDROLASE 26-DEC-06 2E69 . COMPND 2 MOLECULE: 5'-NUCLEOTIDASE SURE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR W.IWASAKI,K.MIKI . 934 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 143 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 10.0 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 . 4 0.4 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 . 48 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 0 0 4 0 0 0 2 7 3 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 15 4 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 PARALLEL BRIDGES PER LADDER . 8 5 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 0 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 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 75 0, 0.0 27,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 104.0 64.6 -6.0 -4.6 2 2 A R E -a 28 0A 51 25,-0.2 82,-2.7 27,-0.0 83,-1.9 -0.898 360.0-164.8-104.4 123.2 64.5 -2.7 -2.6 3 3 A I E -ab 29 85A 1 25,-3.5 27,-2.7 -2,-0.5 2,-0.5 -0.938 11.3-156.3-116.3 123.2 61.1 -1.9 -1.1 4 4 A L E -ab 30 86A 0 81,-2.9 83,-2.7 -2,-0.5 2,-0.4 -0.853 15.5-163.2 -95.7 124.1 60.0 1.6 0.2 5 5 A V E +ab 31 87A 0 25,-3.2 27,-2.0 -2,-0.5 2,-0.2 -0.934 20.9 150.6-112.3 131.4 57.1 1.2 2.7 6 6 A T E - b 0 88A 0 81,-2.6 83,-2.7 -2,-0.4 2,-0.3 -0.807 16.2-173.2-143.4-179.0 55.0 4.2 3.7 7 7 A N - 0 0 0 25,-0.3 65,-0.1 81,-0.3 4,-0.1 -0.924 33.2-118.5-163.5-172.1 51.4 4.9 4.8 8 8 A D S S+ 0 0 61 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.600 101.1 66.2-114.3 -23.3 48.9 7.6 5.6 9 9 A D S S- 0 0 65 1,-0.2 3,-0.2 2,-0.0 2,-0.1 0.595 105.0-113.7 -77.1 -13.1 48.3 6.9 9.3 10 10 A G > - 0 0 6 1,-0.2 3,-1.8 2,-0.1 6,-0.3 -0.188 36.9 -55.1 103.2 165.3 51.8 7.8 10.4 11 11 A I T 3 S+ 0 0 5 23,-1.4 -1,-0.2 1,-0.3 24,-0.1 0.581 126.2 52.1 -59.0 -17.5 55.0 6.3 11.9 12 12 A Y T 3 S+ 0 0 80 -3,-0.2 -1,-0.3 4,-0.0 -2,-0.1 0.429 77.1 121.1-102.8 1.2 53.3 4.8 14.9 13 13 A S X> - 0 0 2 -3,-1.8 4,-1.3 1,-0.2 3,-1.0 -0.457 60.0-144.0 -68.3 127.6 50.5 2.9 13.2 14 14 A P H 3> S+ 0 0 50 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.816 100.9 64.3 -60.2 -25.6 50.6 -0.9 13.8 15 15 A G H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.858 97.6 53.9 -65.3 -34.8 49.5 -1.2 10.2 16 16 A L H <> S+ 0 0 0 -3,-1.0 4,-2.2 -6,-0.3 -1,-0.2 0.937 110.2 44.7 -64.0 -48.2 52.7 0.3 8.9 17 17 A W H X S+ 0 0 21 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.829 108.5 57.3 -70.5 -28.7 55.0 -2.1 10.7 18 18 A A H X S+ 0 0 16 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.903 110.9 44.2 -67.4 -36.6 52.9 -5.1 9.7 19 19 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.887 111.7 52.1 -75.6 -37.2 53.4 -4.2 6.1 20 20 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.917 112.4 46.2 -61.7 -43.2 57.1 -3.5 6.5 21 21 A E H X S+ 0 0 37 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.938 113.2 48.1 -68.1 -44.7 57.5 -6.9 8.2 22 22 A A H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.933 112.8 49.5 -60.1 -45.1 55.5 -8.8 5.5 23 23 A A H >X S+ 0 0 1 -4,-2.6 3,-2.2 1,-0.3 4,-0.7 0.789 96.3 70.2 -65.5 -29.2 57.4 -7.0 2.8 24 24 A S H 3< S+ 0 0 38 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.685 86.2 68.1 -64.5 -17.1 60.8 -7.9 4.3 25 25 A Q T << S+ 0 0 104 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.579 107.4 40.3 -75.6 -8.0 60.2 -11.5 3.4 26 26 A F T <4 S- 0 0 44 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.513 127.3 -39.3-117.2 -9.4 60.6 -10.4 -0.3 27 27 A G S < S- 0 0 24 -4,-0.7 2,-0.4 -3,-0.1 -1,-0.3 -0.985 83.9 -37.7 171.4-173.5 63.5 -7.9 -0.2 28 28 A E E -a 2 0A 108 -27,-1.9 -25,-3.5 -2,-0.3 2,-0.4 -0.630 57.7-152.3 -77.0 127.7 65.2 -5.0 1.7 29 29 A V E -a 3 0A 8 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.826 15.3-176.2-106.1 134.8 62.6 -2.7 3.3 30 30 A F E -a 4 0A 19 -27,-2.7 -25,-3.2 -2,-0.4 2,-0.4 -0.978 15.4-144.7-126.4 140.9 63.1 1.0 4.0 31 31 A V E +ac 5 62A 0 30,-2.6 32,-2.0 -2,-0.4 2,-0.3 -0.911 24.5 165.2-114.7 135.6 60.4 3.1 5.8 32 32 A A E + c 0 63A 0 -27,-2.0 -25,-0.3 -2,-0.4 32,-0.2 -0.912 19.3 168.3-142.8 111.3 59.4 6.8 5.3 33 33 A A E - c 0 64A 0 30,-2.2 32,-3.3 -2,-0.3 -22,-0.2 -0.942 35.9 -98.8-129.5 150.4 56.1 7.7 7.0 34 34 A P E c 0 65A 10 0, 0.0 -23,-1.4 0, 0.0 32,-0.2 -0.247 360.0 360.0 -67.0 152.0 54.3 11.0 7.7 35 35 A D 0 0 106 30,-2.3 32,-0.1 32,-0.3 -25,-0.0 -0.498 360.0 360.0 -76.3 360.0 54.5 12.6 11.1 36 ! 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 37 42 A G 0 0 102 0, 0.0 4,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 173.8 46.9 17.4 1.0 38 43 A H + 0 0 45 30,-0.1 32,-0.3 300,-0.1 2,-0.1 0.427 360.0 92.2-124.2 -5.0 48.2 14.4 -1.0 39 44 A A S S- 0 0 43 1,-0.1 2,-0.3 299,-0.1 32,-0.3 -0.377 88.7 -81.3 -88.0 170.6 50.5 15.9 -3.6 40 45 A I - 0 0 20 30,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.570 45.0-120.6 -72.7 130.0 54.2 16.4 -3.3 41 46 A T + 0 0 34 -2,-0.3 390,-0.4 1,-0.2 5,-0.1 -0.612 47.9 154.0 -73.3 117.1 55.1 19.6 -1.4 42 47 A I + 0 0 93 -2,-0.5 -1,-0.2 388,-0.1 389,-0.1 0.602 52.8 76.4-118.8 -21.2 57.2 21.8 -3.7 43 48 A A S S+ 0 0 37 616,-0.1 618,-0.1 1,-0.1 -2,-0.1 0.683 108.4 2.7 -67.3 -18.5 56.6 25.4 -2.5 44 49 A H S S- 0 0 42 615,-0.1 387,-0.3 385,-0.1 -1,-0.1 -0.988 89.3 -68.1-161.9 166.5 59.0 25.0 0.4 45 50 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 385,-0.2 -0.201 40.8-144.7 -62.0 147.5 61.4 22.7 2.3 46 51 A V B -I 429 0B 3 383,-2.6 383,-2.2 -5,-0.1 2,-0.3 -0.930 9.3-132.6-117.0 139.7 60.2 19.6 4.1 47 52 A R E +D 66 0A 6 19,-0.5 19,-3.1 -2,-0.4 2,-0.3 -0.705 27.7 170.2 -91.2 141.6 61.6 18.2 7.4 48 53 A A E -D 65 0A 5 -2,-0.3 17,-0.2 17,-0.2 -2,-0.0 -0.962 9.4-168.0-149.9 132.4 62.4 14.5 7.8 49 54 A Y E -D 64 0A 48 15,-2.3 15,-2.6 -2,-0.3 -2,-0.0 -0.947 32.2-100.8-128.1 147.0 64.3 12.8 10.6 50 55 A P E -D 63 0A 93 0, 0.0 13,-0.3 0, 0.0 -2,-0.0 -0.314 44.6-160.7 -56.9 142.0 65.8 9.4 11.1 51 56 A H - 0 0 17 11,-3.4 2,-0.4 552,-0.0 11,-0.3 -0.996 17.7-122.9-135.6 132.2 63.4 7.4 13.3 52 57 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 11,-0.0 -0.587 32.4-123.7 -73.3 124.4 64.0 4.3 15.4 53 58 A S - 0 0 18 -2,-0.4 4,-0.1 7,-0.4 6,-0.1 -0.282 46.8 -76.1 -62.8 157.6 61.7 1.5 14.3 54 59 A P > - 0 0 49 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.072 33.5-117.9 -59.4 154.4 59.6 0.1 17.2 55 60 A L T 3 S+ 0 0 156 1,-0.3 2,-0.5 -3,-0.1 -2,-0.1 0.875 110.7 50.2 -57.9 -39.5 60.9 -2.2 19.9 56 61 A H T 3 S+ 0 0 133 2,-0.0 -1,-0.3 473,-0.0 473,-0.0 -0.291 101.5 66.4-103.5 54.8 58.5 -5.0 18.9 57 62 A A S < S- 0 0 26 -3,-0.9 3,-0.1 -2,-0.5 -39,-0.1 -0.948 94.1 -90.2-156.4 155.4 59.1 -5.2 15.2 58 63 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -37,-0.0 -0.225 61.3 -83.7 -63.6 171.0 62.2 -6.2 13.4 59 64 A H + 0 0 142 -6,-0.1 -4,-0.0 -4,-0.0 -3,-0.0 -0.555 50.5 176.0 -80.4 142.5 64.6 -3.4 12.6 60 65 A F - 0 0 11 -2,-0.2 -7,-0.4 -3,-0.1 -30,-0.1 -0.988 37.1-113.8-143.5 132.0 64.0 -1.2 9.6 61 66 A P + 0 0 52 0, 0.0 -30,-2.6 0, 0.0 2,-0.3 -0.448 54.5 178.7 -59.7 139.8 65.9 1.9 8.5 62 67 A A E -c 31 0A 7 -11,-0.3 -11,-3.4 -32,-0.2 2,-0.4 -0.998 31.5-163.8-155.0 150.9 63.3 4.6 8.9 63 68 A Y E -cD 32 50A 51 -32,-2.0 -30,-2.2 -2,-0.3 2,-0.6 -0.985 17.1-142.6-131.6 140.0 62.4 8.3 8.6 64 69 A R E -cD 33 49A 56 -15,-2.6 -15,-2.3 -2,-0.4 2,-0.5 -0.898 27.4-154.2 -99.0 124.5 59.5 10.3 10.0 65 70 A V E -cD 34 48A 0 -32,-3.3 -30,-2.3 -2,-0.6 2,-1.9 -0.900 17.9-147.0-111.3 128.1 58.5 12.9 7.4 66 71 A R E S+ D 0 47A 120 -19,-3.1 -19,-0.5 -2,-0.5 2,-0.3 -0.515 78.5 62.1 -87.7 68.1 56.8 16.2 8.1 67 72 A G S S- 0 0 24 -2,-1.9 -32,-0.3 -21,-0.1 -2,-0.1 -0.889 93.1 -53.6-165.4-167.4 54.9 16.1 4.9 68 73 A T > - 0 0 20 -2,-0.3 4,-1.9 -29,-0.2 3,-0.3 -0.294 52.6-102.3 -82.8 167.6 52.3 14.1 2.8 69 74 A P H > S+ 0 0 6 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.906 126.3 53.0 -58.1 -38.3 52.4 10.4 1.9 70 75 A A H > S+ 0 0 0 -32,-0.3 4,-2.6 1,-0.2 5,-0.2 0.868 103.8 55.9 -65.0 -35.8 53.6 11.4 -1.6 71 76 A D H > S+ 0 0 0 -32,-0.3 4,-3.0 -3,-0.3 5,-0.3 0.897 103.8 55.5 -60.9 -39.1 56.4 13.5 0.1 72 77 A C H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.878 108.0 48.3 -61.5 -36.6 57.5 10.2 1.8 73 78 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.962 112.3 47.2 -69.0 -50.4 57.7 8.6 -1.6 74 79 A A H X S+ 0 0 5 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.931 118.3 42.0 -56.6 -44.5 59.8 11.4 -3.1 75 80 A L H >X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 3,-0.6 0.926 113.0 53.5 -68.7 -45.7 62.1 11.5 -0.0 76 81 A G H 3X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.880 104.1 54.6 -57.0 -42.6 62.3 7.7 0.2 77 82 A L H 3< S+ 0 0 38 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.807 114.3 44.2 -62.8 -27.0 63.4 7.3 -3.4 78 83 A H H << S+ 0 0 80 -4,-0.9 3,-0.4 -3,-0.6 -2,-0.2 0.939 117.8 38.8 -81.3 -53.3 66.2 9.8 -2.6 79 84 A L H < S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.856 130.4 29.1 -67.3 -37.5 67.4 8.4 0.7 80 85 A F S < S- 0 0 16 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.220 97.6-171.2-111.1 14.8 67.1 4.7 -0.2 81 86 A G + 0 0 37 -3,-0.4 2,-0.1 -4,-0.3 -3,-0.1 -0.154 56.5 49.2 -57.2 148.3 67.6 4.8 -3.9 82 87 A P S S+ 0 0 95 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 0.541 72.5 178.5 -86.1 149.1 67.3 2.8 -6.0 83 88 A V - 0 0 11 1,-0.1 -80,-0.2 -6,-0.1 3,-0.1 -0.914 16.7-177.1-113.8 139.9 63.8 1.6 -5.1 84 89 A D + 0 0 75 -82,-2.7 34,-1.4 -2,-0.4 2,-0.4 0.748 69.7 29.7-103.0 -33.2 61.9 -1.1 -7.1 85 90 A L E -be 3 118A 5 -83,-1.9 -81,-2.9 32,-0.2 2,-0.5 -0.989 57.4-157.0-137.1 141.0 58.6 -1.2 -5.2 86 91 A V E -be 4 119A 0 32,-2.1 34,-1.8 -2,-0.4 2,-0.4 -0.979 14.1-174.6-118.5 121.4 56.5 1.2 -3.2 87 92 A L E -be 5 120A 1 -83,-2.7 -81,-2.6 -2,-0.5 2,-0.5 -0.970 4.1-165.2-117.4 132.2 54.0 -0.3 -0.7 88 93 A S E -be 6 121A 0 32,-2.6 34,-3.0 -2,-0.4 2,-0.3 -0.970 36.3 -28.5-125.7 127.8 51.6 1.9 1.2 89 94 A G E - 0 0 0 -83,-2.7 -70,-0.1 -2,-0.5 34,-0.1 -0.941 19.8-140.9 133.9-157.8 49.6 0.9 4.3 90 95 A V E - 0 0 1 32,-0.4 33,-0.3 -2,-0.3 -1,-0.3 0.339 54.1-159.0 -81.7 120.2 48.3 -1.1 5.9 91 96 A N E - e 0 123A 15 31,-3.4 33,-2.2 -3,-0.3 2,-1.5 -0.394 18.4-129.1 -67.4 137.6 45.7 1.7 6.3 92 97 A L E S+ e 0 124A 28 31,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.674 87.3 37.3 -86.3 87.3 43.4 1.4 9.4 93 98 A G S S- 0 0 17 31,-1.7 31,-0.4 -2,-1.5 -2,-0.1 -0.412 97.0 -78.0 139.7 143.5 40.2 1.9 7.4 94 99 A S - 0 0 31 29,-0.2 2,-0.1 -2,-0.2 30,-0.1 -0.144 22.4-162.9 -66.4 159.6 38.9 0.8 4.0 95 100 A N + 0 0 14 28,-0.1 2,-0.3 -4,-0.1 28,-0.1 -0.680 38.8 147.0-141.8 77.6 39.7 2.3 0.6 96 101 A L > - 0 0 6 -2,-0.1 3,-2.4 76,-0.1 4,-0.1 -0.861 53.9 -32.6-119.0 152.2 36.9 1.0 -1.5 97 102 A G G > S+ 0 0 1 -2,-0.3 3,-1.6 1,-0.3 4,-0.3 -0.127 131.7 9.3 45.3-123.4 35.0 2.2 -4.5 98 103 A H G > S+ 0 0 58 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.705 120.5 73.4 -60.3 -21.9 34.5 6.0 -4.5 99 104 A E G X S+ 0 0 40 -3,-2.4 3,-0.9 1,-0.2 4,-0.4 0.744 77.0 76.1 -64.6 -27.3 36.9 6.2 -1.6 100 105 A I G X S+ 0 0 1 -3,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.848 86.4 62.6 -55.6 -37.8 40.0 5.5 -3.8 101 106 A W G < S+ 0 0 11 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.861 111.3 35.0 -55.8 -41.7 39.9 9.1 -5.2 102 107 A H G < S+ 0 0 40 -3,-0.9 2,-0.5 -4,-0.4 -1,-0.2 0.281 87.8 125.7-100.1 10.1 40.5 10.7 -1.8 103 108 A S <> - 0 0 6 -3,-1.1 4,-2.3 -4,-0.4 5,-0.1 -0.575 42.2-167.3 -78.8 122.1 42.9 8.1 -0.3 104 109 A G H > S+ 0 0 4 -2,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.862 94.2 57.4 -69.5 -34.5 46.2 9.3 1.0 105 110 A T H > S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.924 111.3 41.3 -61.8 -42.9 47.3 5.6 1.2 106 111 A V H > S+ 0 0 3 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.904 107.9 62.0 -71.0 -38.7 46.5 5.3 -2.5 107 112 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.856 103.1 50.5 -55.9 -37.0 48.1 8.6 -3.3 108 113 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.937 113.0 44.9 -67.1 -46.7 51.4 7.3 -2.0 109 114 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.929 112.1 52.3 -62.5 -46.5 51.2 4.2 -4.2 110 115 A K H X S+ 0 0 3 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.891 106.6 54.3 -57.1 -39.6 50.1 6.2 -7.2 111 116 A Q H X S+ 0 0 15 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.895 105.5 52.3 -63.7 -39.0 53.1 8.6 -6.6 112 117 A G H ><>S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 3,-0.6 0.941 111.3 47.8 -60.2 -43.5 55.5 5.6 -6.8 113 118 A Y H ><5S+ 0 0 55 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.875 104.4 58.6 -65.4 -38.5 53.8 4.6 -10.1 114 119 A L H 3<5S+ 0 0 14 -4,-2.6 299,-3.0 1,-0.3 -1,-0.2 0.786 104.1 54.4 -61.6 -24.7 54.1 8.2 -11.4 115 120 A F T <<5S- 0 0 20 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.231 128.0-101.1 -90.6 10.6 57.9 7.7 -10.9 116 121 A G T < 5S+ 0 0 48 -3,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.693 82.9 122.3 81.3 18.6 57.9 4.5 -13.0 117 122 A L < - 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