==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-NOV-11 3UMM . COMPND 2 MOLECULE: PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR R.ANAND,M.MORAR,A.S.TANWAR,S.PANJIKAR . 1285 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 909 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 226 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 112 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.6 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 4 2 0 1 6 5 5 1 1 1 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 5 0 2 1 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 4 5 6 7 1 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 0 3 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 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 -7 A G 0 0 60 0, 0.0 48,-0.0 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 111.3 77.2 -2.3 -32.6 2 -6 A L + 0 0 107 9,-0.1 9,-0.2 2,-0.0 3,-0.0 -0.094 360.0 150.4-174.2 50.7 79.9 -5.1 -33.3 3 -5 A V E -A 10 0A 63 7,-1.0 7,-1.3 1,-0.1 2,-0.1 -0.684 58.5 -79.8 -92.9 147.3 83.2 -3.9 -31.6 4 -4 A P E +A 9 0A 107 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.267 54.5 164.1 -52.7 119.8 85.8 -6.4 -30.2 5 -3 A R E > -A 8 0A 13 3,-1.0 3,-1.6 1,-0.3 151,-0.0 -0.865 52.3 -80.3-141.7 98.3 84.8 -7.8 -26.8 6 -2 A G T 3 S- 0 0 72 -2,-0.3 -1,-0.3 1,-0.2 153,-0.1 0.019 102.1 -18.9 43.8-140.7 86.7 -11.0 -25.6 7 -1 A S T 3 S+ 0 0 105 -3,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.467 136.1 55.2 -73.4 -1.4 85.6 -14.4 -27.0 8 0 A H E < S-A 5 0A 27 -3,-1.6 -3,-1.0 104,-0.0 2,-0.4 -0.369 80.3-117.8-116.8-166.8 82.3 -12.6 -27.8 9 1 A M E -AB 4 51A 70 42,-2.1 42,-3.2 -5,-0.2 2,-0.5 -0.995 19.3-145.5-140.1 132.7 80.8 -9.6 -29.7 10 2 A M E -AB 3 50A 1 -7,-1.3 -7,-1.0 -2,-0.4 2,-0.4 -0.921 13.5-163.2-105.9 133.0 79.0 -6.7 -28.1 11 3 A E E - B 0 49A 15 38,-2.2 38,-2.9 -2,-0.5 2,-0.6 -0.932 8.7-146.3-116.6 136.0 76.2 -5.1 -30.0 12 4 A I E - B 0 48A 39 -2,-0.4 2,-0.6 36,-0.2 36,-0.2 -0.910 14.5-172.6-104.5 114.7 74.6 -1.7 -29.2 13 5 A L E - B 0 47A 14 34,-2.5 34,-2.3 -2,-0.6 -2,-0.0 -0.870 19.1-135.7-115.0 106.5 70.9 -1.2 -29.8 14 6 A R E - B 0 46A 231 -2,-0.6 32,-0.2 32,-0.2 2,-0.1 -0.142 30.1-174.1 -54.9 139.0 69.4 2.2 -29.5 15 7 A G E - 0 0 21 30,-2.0 53,-0.1 1,-0.2 -1,-0.1 -0.335 24.9 -57.6-119.7-155.8 66.0 2.3 -27.6 16 8 A S E - 0 0 31 1,-0.1 29,-2.5 -2,-0.1 -1,-0.2 -0.451 63.9 -76.3 -91.8 161.8 63.2 4.6 -26.6 17 9 A P E - B 0 44A 16 0, 0.0 27,-0.3 0, 0.0 56,-0.1 -0.331 44.7-161.8 -55.6 128.1 63.1 7.9 -24.5 18 10 A A + 0 0 18 25,-1.4 2,-0.4 101,-0.1 26,-0.1 0.988 64.6 59.5 -77.9 -72.5 63.6 7.1 -20.8 19 11 A L S S- 0 0 35 1,-0.1 2,-1.1 2,-0.1 24,-0.2 -0.498 79.7-133.7 -68.4 120.8 62.5 10.0 -18.6 20 12 A S > - 0 0 41 -2,-0.4 3,-1.0 1,-0.1 2,-0.9 -0.653 37.7 -95.4 -84.0 93.3 58.8 10.9 -19.2 21 13 A A T 3> S+ 0 0 77 -2,-1.1 4,-2.5 1,-0.3 3,-0.3 -0.083 120.1 54.8 40.5 -79.0 58.5 14.7 -19.5 22 14 A F H 3> S+ 0 0 35 -2,-0.9 4,-0.8 1,-0.2 -1,-0.3 0.676 108.0 53.5 -53.8 -24.8 57.6 15.7 -15.9 23 15 A R H <> S+ 0 0 55 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.888 107.2 48.5 -77.0 -45.2 60.7 13.9 -14.7 24 16 A I H > S+ 0 0 32 -3,-0.3 4,-2.3 1,-0.2 5,-0.3 0.926 110.2 54.3 -58.8 -41.6 63.0 15.8 -17.0 25 17 A N H X S+ 0 0 129 -4,-2.5 4,-1.1 1,-0.3 -1,-0.2 0.832 109.9 45.4 -62.2 -33.6 61.3 18.9 -15.8 26 18 A K H X S+ 0 0 50 -4,-0.8 4,-1.7 -5,-0.2 -1,-0.3 0.759 109.1 59.1 -80.5 -26.1 62.1 18.0 -12.2 27 19 A L H X S+ 0 0 21 -4,-2.0 4,-1.5 2,-0.2 3,-0.2 0.964 109.3 39.8 -65.2 -56.9 65.7 17.1 -13.2 28 20 A L H X S+ 0 0 33 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.851 111.3 61.2 -62.7 -31.8 66.6 20.5 -14.6 29 21 A A H X S+ 0 0 63 -4,-1.1 4,-0.8 -5,-0.3 -1,-0.2 0.902 109.3 41.2 -60.6 -41.2 64.7 21.9 -11.6 30 22 A R H < S+ 0 0 123 -4,-1.7 4,-0.3 -3,-0.2 -1,-0.2 0.723 108.9 60.9 -79.4 -23.2 67.1 20.2 -9.3 31 23 A F H ><>S+ 0 0 1 -4,-1.5 5,-1.7 1,-0.2 3,-1.4 0.909 101.2 52.2 -69.4 -41.3 70.1 21.1 -11.5 32 24 A Q H ><5S+ 0 0 152 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.840 97.5 69.3 -63.0 -32.0 69.4 24.8 -11.1 33 25 A A T 3<5S+ 0 0 86 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.648 101.1 45.4 -61.3 -18.9 69.4 24.3 -7.3 34 26 A A T < 5S- 0 0 48 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.160 120.9-103.8-111.8 17.2 73.2 23.6 -7.3 35 27 A N T < 5S+ 0 0 146 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.734 72.8 147.7 65.8 25.7 74.1 26.5 -9.6 36 28 A L < - 0 0 4 -5,-1.7 2,-2.3 2,-0.1 -1,-0.2 -0.839 46.9-141.9 -95.0 112.3 74.6 24.1 -12.5 37 29 A Q + 0 0 121 -2,-0.7 2,-0.9 89,-0.2 89,-0.1 -0.353 37.0 162.6 -74.0 63.0 73.6 26.0 -15.7 38 30 A V + 0 0 14 -2,-2.3 86,-0.3 -10,-0.2 -6,-0.1 -0.720 12.8 177.7 -91.3 102.3 71.9 23.0 -17.4 39 31 A H - 0 0 113 84,-1.3 2,-0.3 -2,-0.9 85,-0.2 0.980 62.7 -0.1 -66.9 -65.8 69.6 24.2 -20.3 40 32 A N E - C 0 123A 74 83,-1.3 83,-2.7 2,-0.0 2,-0.3 -0.881 59.6-171.7-127.5 161.3 68.2 21.0 -21.8 41 33 A I E - C 0 122A 3 -2,-0.3 2,-0.4 81,-0.2 81,-0.2 -0.982 3.1-167.8-154.4 138.4 68.5 17.3 -21.1 42 34 A Y E - C 0 121A 13 79,-2.1 79,-2.2 -2,-0.3 2,-0.4 -0.965 6.9-157.2-137.1 121.9 67.4 14.1 -22.9 43 35 A A E + C 0 120A 2 -2,-0.4 -25,-1.4 77,-0.2 2,-0.4 -0.818 14.3 176.7 -99.5 135.2 67.4 10.6 -21.6 44 36 A E E -BC 17 119A 29 75,-1.3 75,-3.9 -2,-0.4 2,-0.2 -1.000 26.8-127.2-140.5 129.5 67.4 7.6 -24.0 45 37 A Y E - C 0 118A 58 -29,-2.5 -30,-2.0 -2,-0.4 2,-0.4 -0.565 25.4-167.2 -76.1 142.3 67.6 3.9 -23.1 46 38 A V E -BC 14 117A 5 71,-2.9 71,-1.7 -2,-0.2 2,-0.2 -0.991 6.4-148.9-137.2 125.3 70.3 1.9 -24.8 47 39 A H E -BC 13 116A 1 -34,-2.3 -34,-2.5 -2,-0.4 2,-0.4 -0.640 2.4-156.7 -92.5 150.8 70.6 -1.9 -24.9 48 40 A F E -BC 12 115A 0 67,-2.4 67,-1.8 -2,-0.2 2,-0.6 -0.976 5.4-164.1-131.6 113.8 73.8 -4.0 -25.1 49 41 A A E -BC 11 114A 0 -38,-2.9 -38,-2.2 -2,-0.4 2,-0.9 -0.889 6.9-155.3-105.5 114.1 73.7 -7.5 -26.5 50 42 A D E -BC 10 113A 4 63,-2.7 62,-2.4 -2,-0.6 63,-1.2 -0.780 20.0-166.6 -89.0 106.1 76.6 -9.8 -25.7 51 43 A L E -BC 9 111A 4 -42,-3.2 -42,-2.1 -2,-0.9 60,-0.2 -0.758 25.9-173.6 -98.1 140.4 76.7 -12.4 -28.5 52 44 A N S S+ 0 0 79 58,-2.2 -1,-0.1 -2,-0.3 59,-0.1 0.719 83.4 17.0 -96.7 -28.5 78.7 -15.6 -28.5 53 45 A A S S- 0 0 41 57,-0.5 2,-0.3 -44,-0.1 -44,-0.1 -0.542 96.0 -84.0-126.9-173.2 77.7 -16.4 -32.1 54 46 A P - 0 0 107 0, 0.0 2,-0.5 0, 0.0 56,-0.1 -0.715 25.6-131.0-106.5 163.1 76.2 -14.3 -35.0 55 47 A L - 0 0 27 -2,-0.3 2,-0.1 55,-0.1 53,-0.0 -0.912 16.8-144.2-108.3 126.3 72.7 -13.2 -36.0 56 48 A N >> - 0 0 85 -2,-0.5 4,-3.7 1,-0.1 3,-1.0 -0.368 42.3 -88.1 -79.2 169.6 71.5 -13.7 -39.5 57 49 A D H 3> S+ 0 0 144 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.908 129.2 49.5 -42.7 -58.9 69.1 -11.0 -40.9 58 50 A S H 3> S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.789 118.1 41.0 -53.0 -34.1 66.0 -12.7 -39.7 59 51 A E H <> S+ 0 0 42 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.885 110.7 56.2 -82.1 -40.7 67.5 -13.0 -36.2 60 52 A Q H X S+ 0 0 57 -4,-3.7 4,-1.8 1,-0.2 -2,-0.2 0.843 112.6 43.7 -59.8 -32.4 69.1 -9.6 -36.3 61 53 A A H X S+ 0 0 60 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.876 107.7 57.7 -80.1 -39.5 65.6 -8.1 -36.9 62 54 A Q H X S+ 0 0 45 -4,-1.3 4,-1.9 -5,-0.3 -2,-0.2 0.823 109.4 47.5 -60.9 -29.5 64.0 -10.3 -34.3 63 55 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.977 107.5 51.5 -75.4 -54.4 66.3 -8.8 -31.7 64 56 A T H < S+ 0 0 73 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 111.6 54.3 -49.1 -32.7 65.9 -5.2 -32.7 65 57 A R H >< S+ 0 0 107 -4,-2.1 3,-2.8 1,-0.2 -1,-0.2 0.982 101.6 51.6 -66.1 -61.2 62.2 -6.0 -32.3 66 58 A L H 3< S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.764 107.2 60.0 -47.8 -28.1 62.2 -7.5 -28.8 67 59 A L T 3< S+ 0 0 7 -4,-1.7 2,-0.7 -5,-0.1 -1,-0.3 0.225 82.4 88.7 -88.9 11.6 64.0 -4.2 -27.9 68 60 A Q < + 0 0 80 -3,-2.8 2,-0.2 1023,-0.1 -53,-0.1 -0.943 61.7 117.5-109.2 105.9 61.2 -1.9 -29.0 69 61 A Y + 0 0 24 -2,-0.7 1023,-0.1 2,-0.1 -53,-0.1 -0.755 29.7 58.0-148.1-164.4 59.0 -1.4 -26.0 70 62 A G S S- 0 0 16 -2,-0.2 2,-0.1 1078,-0.1 -52,-0.1 -0.000 95.6 -19.3 64.7-174.3 57.6 1.2 -23.5 71 63 A P - 0 0 33 0, 0.0 2,-2.1 0, 0.0 -2,-0.1 -0.429 66.6-116.2 -67.0 133.6 55.6 4.4 -24.3 72 64 A A + 0 0 61 -2,-0.1 2,-0.3 -56,-0.1 -2,-0.1 -0.513 51.8 171.5 -72.8 79.1 55.9 5.6 -27.9 73 65 A L - 0 0 67 -2,-2.1 2,-0.1 -56,-0.1 -53,-0.0 -0.661 40.6 -88.8 -93.9 151.8 57.6 8.9 -27.0 74 66 A S - 0 0 93 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.342 43.5-131.7 -61.1 128.8 59.1 11.4 -29.4 75 67 A S - 0 0 99 -2,-0.1 2,-0.4 -58,-0.0 -1,-0.1 -0.619 14.7-153.6 -88.1 140.8 62.8 10.7 -30.3 76 68 A H - 0 0 93 -2,-0.3 3,-0.1 3,-0.0 -34,-0.0 -0.901 21.3-116.6-114.1 142.6 65.6 13.4 -30.3 77 69 A T - 0 0 128 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.615 49.1 -93.8 -76.6 131.1 68.8 13.4 -32.3 78 70 A P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.150 57.0 160.8 -49.4 131.3 71.8 13.2 -29.9 79 71 A A + 0 0 45 2,-0.1 -37,-0.2 -37,-0.1 -3,-0.0 -0.983 40.6 12.1-152.8 145.0 73.3 16.6 -29.0 80 72 A G S S- 0 0 48 -2,-0.3 43,-0.2 41,-0.1 2,-0.1 -0.215 104.3 -14.9 81.3-173.9 75.5 17.8 -26.1 81 73 A K E -D 122 0A 82 41,-1.5 41,-2.7 40,-0.1 2,-0.4 -0.363 62.2-136.2 -69.9 139.3 77.4 15.7 -23.7 82 74 A L E -D 121 0A 32 39,-0.2 2,-0.3 67,-0.2 39,-0.2 -0.777 20.1-179.4 -96.8 137.5 76.7 12.0 -23.3 83 75 A L E -D 120 0A 8 37,-2.5 37,-2.9 -2,-0.4 2,-0.4 -0.858 11.4-160.4-141.0 97.5 76.5 10.3 -19.9 84 76 A L E -DE 119 148A 0 64,-2.3 64,-2.5 -2,-0.3 2,-0.6 -0.674 0.5-159.7 -82.9 132.3 75.7 6.6 -19.9 85 77 A V E +DE 118 147A 4 33,-2.9 33,-2.2 -2,-0.4 62,-0.2 -0.923 21.6 160.4-118.1 105.7 74.4 5.0 -16.8 86 78 A T E - E 0 146A 1 60,-1.8 60,-2.0 -2,-0.6 31,-0.1 -0.718 49.9 -84.1-116.3 166.1 74.8 1.2 -16.5 87 79 A P E - E 0 145A 19 0, 0.0 58,-0.3 0, 0.0 4,-0.1 -0.350 68.2 -78.4 -65.4 157.1 74.7 -1.0 -13.4 88 80 A R > - 0 0 81 56,-4.2 3,-0.6 1,-0.1 58,-0.1 -0.296 60.9 -95.2 -58.6 140.0 78.1 -1.1 -11.7 89 81 A P T 3 S+ 0 0 43 0, 0.0 68,-0.1 0, 0.0 -1,-0.1 -0.301 111.8 39.2 -56.2 142.9 80.5 -3.4 -13.6 90 82 A G T 3 S+ 0 0 49 67,-0.4 2,-0.4 1,-0.3 -2,-0.1 0.672 99.7 104.3 86.0 20.9 80.7 -7.0 -12.2 91 83 A T < - 0 0 41 -3,-0.6 2,-0.5 -4,-0.1 -1,-0.3 -0.998 56.2-156.4-139.0 136.2 76.9 -6.9 -11.7 92 84 A I - 0 0 22 -2,-0.4 23,-0.1 -3,-0.1 -4,-0.0 -0.948 22.9-143.1-110.6 130.0 74.0 -8.5 -13.5 93 85 A S > - 0 0 20 -2,-0.5 4,-2.1 1,-0.1 3,-0.3 -0.650 21.0-115.5 -96.0 155.9 70.7 -6.7 -13.0 94 86 A P H > S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 5,-0.4 0.873 117.7 58.2 -53.3 -41.4 67.2 -8.3 -12.7 95 87 A W H > S+ 0 0 27 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.942 107.5 48.8 -53.8 -48.7 66.2 -6.5 -15.9 96 88 A S H > S+ 0 0 1 -3,-0.3 4,-3.8 2,-0.2 18,-0.3 0.952 110.9 47.3 -56.5 -57.2 69.1 -8.4 -17.6 97 89 A S H X S+ 0 0 19 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.931 119.4 39.0 -53.4 -50.8 68.2 -11.8 -16.3 98 90 A K H X S+ 0 0 14 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.939 118.2 49.2 -67.3 -44.4 64.5 -11.5 -17.2 99 91 A A H X S+ 0 0 0 -4,-3.4 4,-1.5 -5,-0.4 -2,-0.2 0.903 110.9 49.9 -60.9 -41.3 65.3 -9.7 -20.5 100 92 A T H X S+ 0 0 13 -4,-3.8 4,-1.8 14,-0.3 -1,-0.2 0.842 103.6 61.2 -66.9 -32.4 67.8 -12.4 -21.3 101 93 A D H >X S+ 0 0 33 -4,-1.8 4,-1.9 -5,-0.3 3,-0.8 0.989 103.5 49.6 -53.1 -64.8 65.2 -15.1 -20.5 102 94 A I H 3< S+ 0 0 0 -4,-1.7 4,-0.4 1,-0.3 -1,-0.2 0.803 104.6 58.5 -41.6 -47.3 63.0 -13.7 -23.3 103 95 A A H ><>S+ 0 0 0 -4,-1.5 5,-1.8 1,-0.2 3,-1.4 0.947 109.9 43.1 -51.1 -53.2 65.8 -13.7 -25.8 104 96 A H H X<5S+ 0 0 65 -4,-1.8 3,-1.9 -3,-0.8 -1,-0.2 0.860 107.0 58.2 -62.5 -42.5 66.4 -17.5 -25.4 105 97 A N T 3<5S+ 0 0 31 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.527 105.0 57.3 -66.9 -3.1 62.6 -18.3 -25.4 106 98 A C T < 5S- 0 0 5 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.010 122.5-104.6-115.9 25.3 62.8 -16.7 -28.8 107 99 A G T < 5S+ 0 0 40 -3,-1.9 2,-1.5 1,-0.2 3,-0.2 0.502 80.6 131.2 67.5 4.6 65.4 -18.9 -30.3 108 100 A L < + 0 0 1 -5,-1.8 3,-0.3 1,-0.2 -1,-0.2 -0.687 15.7 154.0 -90.8 80.4 68.2 -16.3 -30.0 109 101 A Q + 0 0 100 -2,-1.5 -1,-0.2 1,-0.2 -57,-0.1 0.672 65.4 70.5 -79.6 -20.1 70.7 -18.6 -28.4 110 102 A Q S S+ 0 0 21 -3,-0.2 -58,-2.2 -56,-0.1 2,-0.9 0.782 78.0 92.2 -66.2 -27.1 73.5 -16.4 -29.8 111 103 A V E +C 51 0A 0 -3,-0.3 -60,-0.2 -60,-0.2 3,-0.1 -0.615 53.4 176.3 -72.4 105.5 72.3 -13.8 -27.3 112 104 A D E - 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