==== 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 BIOSYNTHETIC PROTEIN 09-JUN-04 1VKM . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN TM1464; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1751 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1358 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 216 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 12 0.7 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 . 193 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 628 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 2.4 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 6 0 6 6 2 3 15 4 5 7 0 0 0 0 6 0 0 0 0 0 2 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 30 6 6 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 . 24 6 0 6 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 6 0 6 0 6 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 -7 A K 0 0 186 0, 0.0 2,-0.3 0, 0.0 1677,-0.1 0.000 360.0 360.0 360.0-159.3 -3.0 -5.6 26.6 2 -6 A I + 0 0 39 1676,-0.1 2,-0.2 1172,-0.1 1675,-0.0 -0.361 360.0 178.4 -80.7 122.5 -4.3 -9.1 25.6 3 -5 A H - 0 0 33 -2,-0.3 1170,-0.1 1,-0.1 2,-0.0 -0.656 31.4 -89.0-113.5 169.4 -1.8 -11.4 24.0 4 -4 A H - 0 0 76 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.271 34.5-117.3 -75.2 163.4 -1.9 -14.9 22.8 5 -3 A H - 0 0 50 -2,-0.0 2,-0.2 1281,-0.0 -1,-0.1 -0.856 30.7-123.2-101.1 130.3 -1.2 -18.0 24.9 6 -2 A H + 0 0 38 -2,-0.5 788,-0.1 1,-0.2 4,-0.0 -0.523 39.6 157.6 -78.5 138.9 1.7 -20.1 23.7 7 -1 A H S S+ 0 0 69 -2,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.629 77.2 29.2-118.2 -47.9 1.3 -23.8 22.9 8 0 A H S S+ 0 0 63 1,-0.2 2,-1.0 785,-0.1 786,-0.1 0.795 110.6 63.8 -89.5 -33.5 4.1 -24.9 20.5 9 1 A V - 0 0 2 784,-0.1 2,-0.5 56,-0.1 -1,-0.2 -0.824 67.1-176.6-104.1 94.3 6.9 -22.5 21.6 10 2 A I - 0 0 87 -2,-1.0 56,-2.1 54,-0.3 2,-0.6 -0.841 5.3-166.2 -94.3 121.2 7.7 -23.4 25.2 11 3 A I E -a 66 0A 25 -2,-0.5 2,-0.8 54,-0.2 56,-0.2 -0.958 5.5-161.2-110.7 120.9 10.3 -21.2 26.8 12 4 A E E -a 67 0A 66 54,-3.6 56,-2.8 -2,-0.6 2,-0.5 -0.912 12.1-167.9-102.1 107.6 11.8 -22.3 30.0 13 5 A S E -a 68 0A 38 -2,-0.8 56,-0.2 54,-0.2 54,-0.0 -0.783 18.2-177.6 -93.5 126.5 13.4 -19.3 31.7 14 6 A R + 0 0 90 54,-2.9 2,-0.4 -2,-0.5 -1,-0.1 0.061 49.3 118.0-106.5 26.4 15.6 -20.0 34.6 15 7 A I - 0 0 31 53,-0.1 2,-0.8 40,-0.0 -2,-0.1 -0.745 64.7-136.4 -94.0 135.3 16.1 -16.3 35.2 16 8 A E > - 0 0 108 -2,-0.4 3,-2.3 4,-0.1 39,-0.1 -0.843 18.6-148.0 -83.7 115.0 15.1 -14.4 38.3 17 9 A K T 3 S+ 0 0 89 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.779 93.5 58.6 -57.2 -30.6 13.5 -11.3 36.7 18 10 A G T 3 S+ 0 0 35 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.406 97.2 73.0 -81.1 -0.8 14.7 -9.2 39.7 19 11 A K S < S- 0 0 96 -3,-2.3 35,-0.1 1,-0.1 34,-0.0 -0.840 94.6 -96.0-114.1 149.8 18.3 -10.0 39.2 20 12 A P - 0 0 18 0, 0.0 35,-2.6 0, 0.0 2,-0.4 -0.315 45.0-163.3 -59.6 151.1 20.6 -8.6 36.4 21 13 A V E -e 55 0B 22 33,-0.2 98,-0.5 266,-0.2 2,-0.4 -0.998 20.4-165.7-145.4 141.7 21.0 -10.9 33.4 22 14 A V E -ef 56 119B 0 33,-2.4 35,-3.1 -2,-0.4 98,-0.2 -0.996 19.9-143.9-121.9 125.7 23.3 -11.4 30.4 23 15 A G E -ef 57 120B 0 96,-3.1 98,-2.4 -2,-0.4 2,-0.3 -0.605 18.2-172.9 -84.4 147.2 22.2 -13.6 27.5 24 16 A X E -ef 58 121B 0 33,-2.1 35,-3.2 -2,-0.2 45,-0.2 -0.999 20.6-118.8-146.6 141.3 24.7 -15.7 25.6 25 17 A E - 0 0 6 96,-0.7 4,-0.2 -2,-0.3 79,-0.1 -0.216 9.7-143.8 -70.0 166.4 24.5 -17.9 22.5 26 18 A T S >> S+ 0 0 0 77,-0.6 4,-2.1 33,-0.3 3,-0.5 0.661 85.3 78.1-100.3 -22.6 25.2 -21.7 22.4 27 19 A T H 3>>S+ 0 0 14 76,-2.7 4,-3.1 1,-0.2 5,-2.0 0.887 88.7 58.9 -63.2 -35.4 26.9 -22.0 19.1 28 20 A V H 345S+ 0 0 12 75,-0.3 -1,-0.2 3,-0.2 5,-0.2 0.900 112.6 40.8 -54.0 -41.5 30.2 -20.7 20.5 29 21 A F H <45S+ 0 0 2 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.876 126.8 31.8 -74.2 -37.6 30.2 -23.6 23.0 30 22 A V H <5S+ 0 0 27 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.2 0.883 138.2 11.7 -93.8 -41.8 28.9 -26.3 20.7 31 23 A H T <5S+ 0 0 60 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.624 124.1 53.3-109.9 -23.4 30.3 -25.4 17.2 32 24 A G S - 0 0 57 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.382 44.6-107.4 -69.5 153.7 36.6 -27.6 21.4 35 27 A R H > S+ 0 0 160 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.878 114.3 50.5 -53.1 -47.5 34.7 -29.4 24.2 36 28 A K H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 116.7 40.3 -59.8 -48.7 37.3 -29.1 26.9 37 29 A E H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.860 112.0 57.7 -69.7 -34.6 37.8 -25.3 26.4 38 30 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.912 109.8 43.1 -61.7 -45.6 34.1 -24.8 25.9 39 31 A I H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.881 113.4 51.2 -73.6 -37.0 33.2 -26.3 29.3 40 32 A E H X S+ 0 0 98 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.921 110.9 49.8 -65.4 -38.6 36.0 -24.4 31.1 41 33 A L H X S+ 0 0 9 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.932 109.8 51.0 -60.2 -45.1 34.8 -21.2 29.5 42 34 A F H X S+ 0 0 9 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.960 112.4 46.3 -57.0 -49.5 31.2 -21.9 30.7 43 35 A R H X S+ 0 0 121 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.874 112.3 49.7 -60.8 -40.7 32.5 -22.5 34.2 44 36 A R H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.920 109.4 52.2 -66.0 -39.9 34.6 -19.4 34.2 45 37 A A H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.862 109.7 48.9 -62.7 -39.3 31.7 -17.3 33.0 46 38 A K H X S+ 0 0 49 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.908 109.2 52.8 -67.6 -40.5 29.5 -18.6 35.8 47 39 A E H X S+ 0 0 76 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 110.6 47.1 -58.8 -45.1 32.2 -17.8 38.3 48 40 A I H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.919 109.9 54.2 -62.6 -41.5 32.3 -14.3 37.0 49 41 A S H X>S+ 0 0 7 -4,-2.2 5,-1.9 1,-0.2 4,-1.4 0.910 111.8 43.7 -61.6 -41.9 28.6 -14.1 37.1 50 42 A R H <5S+ 0 0 172 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.884 114.7 49.3 -70.8 -40.9 28.6 -15.1 40.8 51 43 A E H <5S+ 0 0 131 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 119.8 36.5 -62.5 -45.8 31.5 -12.8 41.7 52 44 A K H <5S- 0 0 70 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.538 111.4-114.6 -88.8 -12.3 29.9 -9.7 39.9 53 45 A G T <5S+ 0 0 46 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.869 72.0 113.4 83.1 40.6 26.2 -10.4 40.8 54 46 A F < - 0 0 8 -5,-1.9 2,-0.4 -6,-0.1 -1,-0.3 -0.889 63.7-114.7-131.1 164.5 24.5 -11.1 37.5 55 47 A Q E -e 21 0B 34 -35,-2.6 -33,-2.4 -2,-0.3 2,-0.7 -0.858 19.5-145.1 -99.4 131.8 22.9 -14.2 36.0 56 48 A L E -e 22 0B 2 -2,-0.4 2,-0.9 -35,-0.2 -33,-0.2 -0.900 14.7-165.6 -97.7 111.0 24.5 -15.7 32.9 57 49 A A E -e 23 0B 2 -35,-3.1 -33,-2.1 -2,-0.7 2,-0.4 -0.796 1.9-165.0-105.7 92.7 21.7 -17.1 30.8 58 50 A V E -e 24 0B 0 -2,-0.9 12,-2.6 12,-0.4 11,-2.0 -0.656 18.1-147.3 -74.0 126.0 23.1 -19.3 28.1 59 51 A I E +B 68 0A 0 -35,-3.2 44,-0.6 -2,-0.4 -33,-0.3 -0.852 33.0 133.3-107.9 128.8 20.4 -19.8 25.5 60 52 A G E -BC 67 102A 0 7,-2.0 7,-3.2 -2,-0.4 2,-0.5 -0.949 48.4-105.0-157.4-179.5 19.7 -22.9 23.5 61 53 A I E -BC 66 101A 0 40,-2.4 40,-2.4 -2,-0.3 2,-0.6 -0.966 24.9-168.0-121.5 120.4 17.1 -25.3 22.3 62 54 A L E > S-B 65 0A 31 3,-2.6 3,-2.3 -2,-0.5 38,-0.2 -0.947 75.5 -28.4-112.6 112.5 16.8 -28.8 23.8 63 55 A K T 3 S- 0 0 125 -2,-0.6 37,-0.2 1,-0.3 36,-0.2 0.886 129.0 -44.8 44.7 46.7 14.6 -31.2 21.9 64 56 A G T 3 S+ 0 0 10 35,-1.8 2,-0.5 1,-0.2 -54,-0.3 0.300 114.8 117.5 89.1 -6.9 12.5 -28.3 20.6 65 57 A K E < - B 0 62A 80 -3,-2.3 -3,-2.6 -56,-0.1 2,-0.5 -0.811 63.0-132.0-100.5 128.2 12.3 -26.5 23.9 66 58 A I E -aB 11 61A 1 -56,-2.1 -54,-3.6 -2,-0.5 2,-0.5 -0.652 25.5-167.5 -79.9 119.7 13.8 -23.0 24.3 67 59 A V E -aB 12 60A 0 -7,-3.2 -7,-2.0 -2,-0.5 2,-0.7 -0.960 11.6-166.5-115.4 121.3 15.9 -22.9 27.5 68 60 A A E S+aB 13 59A 0 -56,-2.8 -54,-2.9 -2,-0.5 -9,-0.2 -0.922 81.1 26.2-107.1 104.3 17.1 -19.6 28.9 69 61 A G S S- 0 0 14 -11,-2.0 -1,-0.2 -2,-0.7 -10,-0.2 0.792 81.9-162.8 105.2 54.2 19.8 -20.4 31.5 70 62 A X - 0 0 2 -12,-2.6 -12,-0.4 -3,-0.4 2,-0.2 -0.297 12.3-129.6 -64.2 147.1 21.2 -23.8 30.4 71 63 A S > - 0 0 45 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.504 23.6-107.1 -93.2 163.6 23.2 -25.8 32.9 72 64 A E H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.887 121.6 52.9 -56.3 -43.5 26.6 -27.3 32.4 73 65 A E H > S+ 0 0 164 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 108.7 49.3 -61.5 -39.4 25.0 -30.8 32.2 74 66 A E H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.877 110.1 51.0 -67.3 -39.0 22.6 -29.6 29.5 75 67 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.892 109.7 50.1 -65.7 -39.8 25.4 -28.2 27.5 76 68 A E H X S+ 0 0 37 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 110.1 50.5 -63.9 -41.1 27.3 -31.4 27.7 77 69 A A H X S+ 0 0 16 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.936 108.8 52.1 -62.0 -45.5 24.2 -33.3 26.6 78 70 A X H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.908 111.6 47.0 -56.0 -43.5 23.9 -31.0 23.6 79 71 A X H < S+ 0 0 40 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.897 115.9 44.2 -65.0 -40.3 27.5 -31.6 22.7 80 72 A R H < S+ 0 0 178 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.916 120.3 38.9 -73.0 -43.1 27.2 -35.3 23.0 81 73 A E H < S- 0 0 101 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.718 111.1-119.3 -80.3 -25.3 23.9 -35.6 21.2 82 74 A G < - 0 0 37 -4,-2.1 2,-0.3 -5,-0.3 18,-0.2 0.100 23.4-144.0 93.2 148.7 24.6 -33.0 18.5 83 75 A A - 0 0 14 -4,-0.1 18,-0.3 16,-0.1 2,-0.1 -0.980 15.9-117.2-149.3 137.5 22.7 -29.7 17.7 84 76 A D E -d 101 0A 77 16,-1.8 18,-2.7 -2,-0.3 2,-0.6 -0.433 33.7-117.5 -62.4 146.2 21.8 -27.8 14.5 85 77 A K E -d 102 0A 45 16,-0.2 2,-0.5 -2,-0.1 18,-0.2 -0.819 42.6-167.4 -83.5 125.3 23.4 -24.4 14.2 86 78 A V E -d 103 0A 0 16,-2.6 18,-2.1 -2,-0.6 21,-0.3 -0.950 22.2-176.7-125.0 126.3 20.4 -22.0 14.1 87 79 A G >> - 0 0 0 -2,-0.5 3,-1.2 16,-0.2 4,-0.6 -0.433 58.5 -72.8 -90.1-169.8 19.9 -18.4 13.3 88 80 A T G >4 S+ 0 0 0 1,-0.3 3,-1.5 -2,-0.2 -2,-0.0 0.888 128.9 52.7 -51.8 -49.2 16.6 -16.7 13.7 89 81 A R G 34 S+ 0 0 25 1,-0.3 4,-0.4 664,-0.2 -1,-0.3 0.738 105.8 54.9 -67.8 -21.4 14.9 -18.2 10.7 90 82 A E G <> S+ 0 0 27 -3,-1.2 4,-2.0 1,-0.2 -1,-0.3 0.564 83.3 87.6 -86.2 -11.8 15.7 -21.7 11.8 91 83 A I H S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.884 109.8 52.6 -64.0 -36.9 10.6 -22.4 14.1 93 85 A I H > S+ 0 0 12 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.924 113.6 42.3 -60.8 -50.5 11.9 -25.5 12.2 94 86 A V H X>S+ 0 0 1 -4,-2.0 5,-2.3 2,-0.2 4,-0.7 0.886 114.3 50.4 -72.0 -35.0 13.8 -26.9 15.1 95 87 A V H ><5S+ 0 0 8 -4,-2.6 3,-1.2 -5,-0.2 -2,-0.2 0.972 112.9 47.7 -60.1 -50.7 11.0 -26.1 17.6 96 88 A A H 3<5S+ 0 0 17 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.865 115.9 43.4 -60.0 -40.8 8.5 -27.8 15.4 97 89 A E H 3<5S- 0 0 74 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.459 108.0-121.3 -88.0 -2.2 10.7 -30.9 14.9 98 90 A G T <<5 + 0 0 33 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.2 0.888 59.0 152.0 65.9 42.0 11.7 -31.2 18.5 99 91 A K < - 0 0 85 -5,-2.3 -35,-1.8 -36,-0.2 2,-0.2 -0.712 50.7-109.5-102.1 154.7 15.5 -30.9 17.8 100 92 A N - 0 0 7 -2,-0.3 -16,-1.8 -37,-0.2 2,-0.3 -0.565 41.8-179.9 -69.9 144.8 18.5 -29.7 19.7 101 93 A A E -Cd 61 84A 0 -40,-2.4 -40,-2.4 -18,-0.3 2,-0.5 -0.977 24.8-145.7-151.4 137.6 19.8 -26.4 18.3 102 94 A A E -Cd 60 85A 0 -18,-2.7 -16,-2.6 -2,-0.3 2,-0.2 -0.907 30.4-131.2-102.4 126.6 22.7 -24.1 19.3 103 95 A T E - d 0 86A 0 -44,-0.6 -76,-2.7 -2,-0.5 -77,-0.6 -0.490 11.4-149.6 -84.6 144.1 21.9 -20.5 18.7 104 96 A T > - 0 0 17 -18,-2.1 4,-2.5 -2,-0.2 5,-0.2 -0.386 45.7 -83.7 -89.9-176.6 23.9 -17.9 16.9 105 97 A V H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.907 128.5 54.0 -58.3 -42.3 23.9 -14.1 17.7 106 98 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.954 113.0 41.2 -58.0 -50.9 20.8 -13.6 15.6 107 99 A A H > S+ 0 0 0 -21,-0.3 4,-2.6 1,-0.2 5,-0.2 0.871 114.7 52.6 -65.7 -33.9 18.8 -16.2 17.3 108 100 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.923 111.7 43.8 -71.8 -45.1 20.0 -15.2 20.7 109 101 A I H X S+ 0 0 1 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.934 113.5 53.1 -60.7 -47.2 19.1 -11.5 20.3 110 102 A F H X S+ 0 0 4 -4,-2.3 4,-0.7 -5,-0.3 -2,-0.2 0.924 115.4 38.7 -54.2 -50.3 15.7 -12.5 18.8 111 103 A L H >X S+ 0 0 2 -4,-2.6 4,-1.1 2,-0.2 3,-1.0 0.908 112.4 56.3 -70.5 -41.0 14.9 -14.7 21.7 112 104 A S H >X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.3 3,-0.9 0.920 104.4 54.8 -54.0 -42.8 16.4 -12.4 24.3 113 105 A R H 3<5S+ 0 0 71 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.760 108.4 49.1 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0.943 110.3 48.4 -58.3 -46.5 12.4 13.0 55.9 1512 40 F I H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.872 107.5 55.1 -62.0 -40.5 10.8 9.5 55.7 1513 41 F S H X>S+ 0 0 4 -4,-2.2 5,-2.1 2,-0.2 4,-1.7 0.905 111.9 44.4 -59.6 -38.3 11.6 9.3 52.0 1514 42 F R H <5S+ 0 0 169 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.923 112.7 50.7 -72.3 -43.4 15.3 10.0 52.8 1515 43 F E H <5S+ 0 0 122 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 120.9 34.6 -57.1 -43.5 15.3 7.6 55.8 1516 44 F K H <5S- 0 0 90 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.619 111.1-113.9 -93.7 -13.4 13.8 4.8 53.6 1517 45 F G T <5S+ 0 0 47 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.872 71.2 117.6 84.3 39.6 15.5 5.6 50.2 1518 46 F F < - 0 0 11 -5,-2.1 2,-0.5 -6,-0.1 -1,-0.3 -0.903 63.1-113.9-130.7 163.0 12.6 6.5 48.0 1519 47 F Q E -b 1485 0f 42 -35,-2.6 -33,-2.5 -2,-0.3 2,-0.8 -0.863 20.7-147.7 -94.1 124.7 11.4 9.7 46.1 1520 48 F L E -b 1486 0f 5 -2,-0.5 2,-0.9 -35,-0.2 -33,-0.2 -0.852 14.3-165.4 -92.2 113.0 8.3 11.3 47.4 1521 49 F A E -b 1487 0f 1 -35,-3.2 -33,-2.2 -2,-0.8 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