==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAY-97 1VPE . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR G.AUERBACH,R.HUBER,M.GRAETTINGER,K.ZAISS,H.SCHURIG, . 398 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.0 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 . 1 0.3 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 . 2 0.5 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 . 31 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 2 0 0 1 3 1 0 3 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 4 2 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 . 1 1 0 2 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 . 1 1 0 0 1 1 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 2 A E 0 0 156 0, 0.0 395,-2.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 121.7 12.8 7.5 35.0 2 3 A K B -A 395 0A 33 393,-0.2 393,-0.2 1,-0.1 2,-0.1 -0.659 360.0 -95.5 -95.9 155.0 11.7 8.6 31.5 3 4 A M - 0 0 46 391,-3.0 163,-3.1 -2,-0.2 2,-0.3 -0.453 46.8-154.5 -65.9 142.8 9.9 6.3 29.1 4 5 A T B > -b 166 0B 7 161,-0.3 3,-2.2 -2,-0.1 163,-0.2 -0.767 33.3 -97.7-118.3 168.5 12.2 4.5 26.7 5 6 A I G > S+ 0 0 0 161,-2.4 3,-0.7 1,-0.3 162,-0.1 0.637 121.8 65.3 -57.3 -13.6 12.0 3.0 23.3 6 7 A R G 3 S+ 0 0 121 160,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.775 92.3 61.7 -81.3 -26.5 11.6 -0.3 25.1 7 8 A D G < S+ 0 0 59 -3,-2.2 2,-0.3 2,-0.1 -1,-0.2 0.152 96.9 68.0 -88.1 17.5 8.2 0.8 26.6 8 9 A V S < S- 0 0 34 -3,-0.7 2,-0.5 -4,-0.0 131,-0.0 -0.959 83.8-113.2-136.6 153.3 6.4 1.2 23.4 9 10 A D + 0 0 102 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.1 -0.779 32.7 176.1 -84.5 124.2 5.2 -1.1 20.6 10 11 A L > + 0 0 3 -2,-0.5 3,-2.4 39,-0.1 42,-0.2 0.646 33.2 124.6-102.6 -21.1 7.2 -0.3 17.5 11 12 A K T 3 S- 0 0 115 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.142 90.0 -5.0 -47.7 120.4 5.8 -2.9 15.1 12 13 A G T 3 S+ 0 0 29 38,-1.7 -1,-0.3 1,-0.2 39,-0.1 0.324 105.3 127.9 76.5 -5.6 4.5 -1.3 12.0 13 14 A K < - 0 0 66 -3,-2.4 39,-2.9 1,-0.0 2,-0.6 -0.355 61.7-125.3 -86.8 158.6 5.0 2.3 13.3 14 15 A R E -c 52 0B 76 37,-0.2 124,-2.7 -3,-0.1 125,-1.6 -0.925 31.7-166.9 -98.8 118.8 6.8 5.2 11.8 15 16 A V E -cd 53 139B 0 37,-3.0 39,-2.5 -2,-0.6 2,-0.7 -0.959 11.8-156.4-115.0 120.1 9.4 6.4 14.3 16 17 A I E -cd 54 140B 0 123,-2.5 125,-2.5 -2,-0.5 2,-0.5 -0.859 18.7-164.5 -95.6 119.5 11.1 9.8 13.9 17 18 A M E -cd 55 141B 0 37,-3.5 39,-2.5 -2,-0.7 2,-0.7 -0.905 13.6-151.1-112.6 126.4 14.4 9.6 15.8 18 19 A R E +cd 56 142B 0 123,-3.1 125,-2.9 -2,-0.5 126,-0.7 -0.882 27.2 170.8 -96.5 118.1 16.5 12.6 16.8 19 20 A V - 0 0 0 37,-2.3 2,-0.9 -2,-0.7 39,-0.3 -0.794 38.5-118.0-120.2 160.5 20.2 11.6 17.0 20 21 A D + 0 0 15 123,-0.3 19,-0.1 -2,-0.3 37,-0.1 -0.872 44.1 155.0-102.5 98.2 23.4 13.6 17.4 21 22 A F + 0 0 0 -2,-0.9 2,-2.1 37,-0.4 -1,-0.1 -0.137 20.6 138.7-109.0 33.0 25.4 13.0 14.2 22 23 A N + 0 0 50 37,-0.1 37,-0.1 13,-0.1 13,-0.0 -0.563 33.8 157.2 -80.7 78.8 27.2 16.3 14.6 23 24 A V - 0 0 8 -2,-2.1 2,-0.3 1,-0.0 10,-0.1 -0.623 49.7 -95.2-107.4 159.6 30.5 14.8 13.6 24 25 A P - 0 0 69 0, 0.0 7,-3.2 0, 0.0 8,-1.0 -0.628 42.9-172.1 -76.2 128.7 33.7 16.2 12.1 25 26 A V E -H 30 0C 49 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.990 9.1-178.6-122.6 137.0 33.8 15.9 8.3 26 27 A K E > S-H 29 0C 136 3,-2.6 3,-1.2 -2,-0.4 43,-0.0 -0.998 73.7 -11.7-138.6 125.7 36.8 16.6 5.9 27 28 A D T 3 S- 0 0 150 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.821 129.9 -53.4 53.8 36.5 36.7 16.3 2.1 28 29 A G T 3 S+ 0 0 40 1,-0.2 2,-0.4 41,-0.1 -1,-0.3 0.726 116.3 107.4 75.9 22.7 33.3 14.5 2.4 29 30 A V E < S-H 26 0C 87 -3,-1.2 -3,-2.6 48,-0.0 2,-0.3 -0.994 74.5-115.0-134.5 135.3 34.4 11.8 4.8 30 31 A V E -H 25 0C 16 -2,-0.4 -5,-0.3 44,-0.3 3,-0.2 -0.585 24.0-166.3 -71.1 125.5 33.5 11.5 8.5 31 32 A Q S S+ 0 0 116 -7,-3.2 2,-0.4 -2,-0.3 -1,-0.2 0.771 77.7 24.6 -84.1 -30.7 36.7 12.0 10.4 32 33 A D + 0 0 39 -8,-1.0 3,-0.4 1,-0.1 -1,-0.3 -0.906 58.7 179.8-140.9 110.4 35.4 10.7 13.7 33 34 A D >> + 0 0 23 -2,-0.4 4,-2.6 -3,-0.2 3,-0.6 0.244 48.8 113.2 -93.7 11.4 32.4 8.3 13.8 34 35 A T H 3> S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 78.9 50.4 -48.9 -46.1 32.1 7.9 17.7 35 36 A R H 3> S+ 0 0 40 -3,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.816 111.5 48.0 -63.9 -35.2 28.7 9.7 17.8 36 37 A I H X> S+ 0 0 0 -3,-0.6 4,-1.0 2,-0.2 3,-1.0 0.963 112.4 47.3 -72.2 -50.8 27.3 7.5 15.0 37 38 A R H >< S+ 0 0 115 -4,-2.6 3,-0.6 1,-0.3 -2,-0.2 0.866 107.0 58.8 -58.0 -36.0 28.5 4.3 16.6 38 39 A A H 3< S+ 0 0 39 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.3 0.827 107.6 46.8 -65.3 -27.9 27.1 5.4 19.9 39 40 A A H S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.917 108.1 45.8 -47.7 -52.0 22.0 0.3 19.4 42 43 A T H > S+ 0 0 0 -3,-0.5 4,-2.2 -4,-0.3 -2,-0.2 0.930 115.4 46.7 -58.1 -47.8 18.9 2.4 19.3 43 44 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.934 112.9 48.1 -62.1 -50.4 18.7 2.3 15.5 44 45 A K H X S+ 0 0 86 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.881 110.5 53.2 -58.3 -42.7 19.3 -1.4 15.2 45 46 A Y H X S+ 0 0 55 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.952 108.7 48.0 -58.8 -52.0 16.7 -2.1 17.9 46 47 A A H <>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 3,-0.5 0.933 111.3 51.6 -56.6 -44.9 13.9 -0.1 16.1 47 48 A L H ><5S+ 0 0 10 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.873 109.1 49.6 -60.7 -40.0 14.7 -1.8 12.8 48 49 A E H 3<5S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.751 103.6 59.5 -70.2 -28.3 14.4 -5.3 14.3 49 50 A Q T 3<5S- 0 0 79 -4,-1.6 -1,-0.3 -3,-0.5 -37,-0.2 0.307 122.5-109.4 -81.2 7.3 11.1 -4.4 16.0 50 51 A G T < 5 + 0 0 13 -3,-1.3 -38,-1.7 1,-0.2 -3,-0.2 0.836 66.1 150.6 70.5 36.2 9.9 -3.8 12.4 51 52 A A < - 0 0 0 -5,-1.7 57,-2.9 -40,-0.2 2,-0.6 -0.497 50.4-122.2 -95.9 163.1 9.6 -0.0 12.6 52 53 A K E -ce 14 109B 40 -39,-2.9 -37,-3.0 55,-0.2 2,-0.5 -0.959 37.3-150.9-102.7 115.7 10.0 2.5 9.7 53 54 A V E -ce 15 110B 0 56,-2.7 58,-3.0 -2,-0.6 2,-0.5 -0.823 20.8-177.2-105.8 128.0 12.8 4.8 10.9 54 55 A I E -ce 16 111B 0 -39,-2.5 -37,-3.5 -2,-0.5 2,-0.4 -0.968 17.2-152.1-115.4 125.3 13.3 8.5 10.0 55 56 A L E -ce 17 112B 0 56,-3.4 58,-2.3 -2,-0.5 2,-0.4 -0.845 9.9-170.2-104.7 139.9 16.5 10.1 11.4 56 57 A L E +c 18 0B 0 -39,-2.5 -37,-2.3 -2,-0.4 2,-0.3 -0.973 18.8 144.2-125.6 140.4 16.8 13.8 12.2 57 58 A S - 0 0 0 -2,-0.4 59,-2.6 57,-0.4 2,-0.2 -0.980 35.7-129.1-166.7 161.8 20.1 15.6 13.1 58 59 A H - 0 0 6 -39,-0.3 -37,-0.4 -2,-0.3 2,-0.3 -0.612 13.2-157.0-107.8 169.7 22.0 18.8 12.7 59 60 A L - 0 0 8 1,-0.3 -37,-0.1 -2,-0.2 58,-0.1 -0.884 58.8 -39.7-150.8 115.4 25.7 19.2 11.6 60 61 A G S S- 0 0 20 -2,-0.3 -1,-0.3 1,-0.2 57,-0.1 -0.157 89.5 -63.3 62.7-157.4 27.7 22.3 12.6 61 62 A R - 0 0 144 -3,-0.1 -1,-0.2 57,-0.0 57,-0.0 -0.748 54.4-171.7-129.8 77.9 26.0 25.7 12.7 62 63 A P - 0 0 16 0, 0.0 5,-0.0 0, 0.0 -2,-0.0 -0.333 41.8-105.4 -63.0 160.8 24.9 26.7 9.1 63 64 A K - 0 0 194 2,-0.2 55,-0.1 1,-0.1 4,-0.0 0.759 68.0 -84.5 -62.2 -17.9 23.7 30.3 8.7 64 65 A G S S+ 0 0 24 1,-0.7 -1,-0.1 53,-0.0 57,-0.1 0.355 111.7 85.9 122.0 10.3 20.2 28.8 8.4 65 66 A E S S- 0 0 116 54,-0.1 -1,-0.7 55,-0.1 -2,-0.2 -0.880 90.2 -79.7-133.9 157.5 20.6 28.2 4.7 66 67 A P + 0 0 92 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.217 41.9 174.5 -61.8 151.0 22.1 25.2 2.8 67 68 A S > - 0 0 26 1,-0.1 3,-2.6 -5,-0.0 4,-0.3 -0.851 32.7-135.7-157.8 119.9 25.9 24.8 2.4 68 69 A P G > S+ 0 0 117 0, 0.0 3,-1.9 0, 0.0 5,-0.2 0.864 105.4 61.5 -47.6 -39.9 27.4 21.6 0.8 69 70 A E G 3 S+ 0 0 139 1,-0.3 -44,-0.1 -3,-0.1 -41,-0.1 0.683 106.3 45.6 -63.1 -19.3 30.0 21.5 3.5 70 71 A F G < S+ 0 0 55 -3,-2.6 -1,-0.3 45,-0.0 45,-0.2 0.222 85.1 125.9-108.3 11.6 27.3 21.0 6.2 71 72 A S < - 0 0 20 -3,-1.9 4,-0.2 -4,-0.3 43,-0.1 -0.384 60.1-139.0 -70.4 151.6 25.3 18.4 4.3 72 73 A L S > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.1 3,-0.3 0.327 78.5 102.8 -90.7 5.9 24.5 15.1 6.0 73 74 A A H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 79.6 49.2 -56.2 -45.4 25.2 13.1 2.8 74 75 A P H > S+ 0 0 17 0, 0.0 4,-2.1 0, 0.0 -44,-0.3 0.845 110.5 52.8 -63.3 -34.0 28.7 11.9 4.0 75 76 A V H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.879 105.0 53.1 -69.5 -39.3 27.1 10.8 7.3 76 77 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.922 109.8 49.5 -62.3 -42.6 24.4 8.8 5.6 77 78 A K H X S+ 0 0 124 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.943 113.5 45.9 -61.2 -47.1 27.2 6.9 3.6 78 79 A R H X S+ 0 0 69 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.908 110.7 52.3 -63.2 -42.7 29.1 6.3 6.9 79 80 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 6,-0.3 0.886 107.4 53.4 -60.0 -40.7 25.9 5.1 8.7 80 81 A S H X>S+ 0 0 30 -4,-2.2 4,-2.2 2,-0.2 5,-0.8 0.897 109.5 48.0 -60.2 -44.9 25.3 2.7 5.9 81 82 A E H <5S+ 0 0 128 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.955 115.3 44.8 -61.1 -47.5 28.8 1.2 6.3 82 83 A L H <5S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 117.8 43.6 -66.1 -34.8 28.4 0.9 10.1 83 84 A L H <5S- 0 0 16 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.787 96.3-135.6 -82.2 -30.9 24.9 -0.5 9.9 84 85 A G T <5S+ 0 0 66 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.703 75.9 94.1 78.4 20.8 25.6 -3.0 7.1 85 86 A K S S- 0 0 29 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 -0.583 89.7 -52.8 120.8 178.2 8.5 19.3 1.4 96 97 A D H > S+ 0 0 132 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.816 126.9 60.8 -64.0 -38.3 7.0 16.8 -1.0 97 98 A E H > S+ 0 0 109 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 109.3 43.3 -56.9 -41.4 10.3 15.1 -1.5 98 99 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.889 114.1 49.1 -71.9 -42.0 10.3 14.3 2.3 99 100 A K H X S+ 0 0 102 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.927 111.7 50.3 -64.3 -43.3 6.6 13.3 2.4 100 101 A K H X S+ 0 0 94 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.921 110.6 48.3 -62.3 -45.1 7.1 11.0 -0.6 101 102 A A H < S+ 0 0 19 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.935 112.4 47.2 -61.5 -49.1 10.2 9.3 0.9 102 103 A V H >< S+ 0 0 7 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.879 110.9 55.5 -60.1 -36.2 8.5 8.7 4.3 103 104 A E H 3< S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.887 107.9 46.0 -62.0 -46.0 5.5 7.4 2.4 104 105 A E T 3< S+ 0 0 114 -4,-2.0 2,-0.5 -5,-0.1 -1,-0.3 0.170 86.1 124.2 -86.0 19.1 7.5 4.8 0.5 105 106 A L < - 0 0 6 -3,-1.2 2,-0.1 -5,-0.1 3,-0.1 -0.700 47.5-154.3 -87.0 125.4 9.3 3.6 3.6 106 107 A K > - 0 0 146 -2,-0.5 3,-1.2 1,-0.1 2,-0.1 -0.451 34.7 -76.6 -92.2 166.7 9.0 -0.1 4.4 107 108 A E T 3 S+ 0 0 95 1,-0.3 -55,-0.2 -2,-0.1 -56,-0.2 -0.407 120.1 20.0 -62.8 137.1 9.2 -1.9 7.8 108 109 A G T 3 S+ 0 0 29 -57,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.772 97.7 124.6 73.2 25.4 12.9 -2.1 8.9 109 110 A E E < -e 52 0B 43 -3,-1.2 -56,-2.7 -58,-0.5 2,-0.4 -0.888 48.2-145.9-115.7 149.5 14.1 0.7 6.6 110 111 A V E -e 53 0B 5 -24,-0.5 -22,-2.2 -2,-0.3 2,-0.4 -0.957 11.2-172.5-120.7 139.5 15.9 3.8 7.6 111 112 A L E -ef 54 88B 1 -58,-3.0 -56,-3.4 -2,-0.4 2,-0.5 -0.980 7.2-159.1-128.8 133.2 15.7 7.3 6.1 112 113 A L E -ef 55 89B 0 -24,-3.2 -22,-2.2 -2,-0.4 2,-0.2 -0.968 11.0-150.0-114.3 128.4 18.0 10.2 7.0 113 114 A L E - f 0 90B 0 -58,-2.3 -20,-0.2 -2,-0.5 3,-0.2 -0.541 30.8 -87.8 -88.6 168.2 16.8 13.8 6.3 114 115 A E - 0 0 12 -22,-1.7 -57,-0.4 -24,-0.8 -1,-0.2 -0.150 69.8 -54.0 -72.4 164.8 19.1 16.6 5.5 115 116 A N > - 0 0 0 -45,-0.2 3,-1.7 1,-0.2 -57,-0.3 -0.153 46.4-143.3 -39.9 121.1 20.7 18.8 8.2 116 117 A T G > S+ 0 0 0 -59,-2.6 3,-1.3 1,-0.3 6,-0.4 0.794 97.1 65.3 -62.8 -29.8 17.9 20.2 10.4 117 118 A R G 3 S+ 0 0 23 1,-0.3 -1,-0.3 -60,-0.2 -2,-0.1 0.447 78.1 80.9 -75.0 1.4 19.7 23.5 10.8 118 119 A F G < S+ 0 0 23 -3,-1.7 -1,-0.3 -54,-0.1 -2,-0.1 0.486 87.0 72.6 -79.3 -6.7 19.3 24.2 7.0 119 120 A H S X S- 0 0 50 -3,-1.3 3,-1.5 -54,-0.1 4,-0.5 -0.965 80.8-144.0-112.2 127.2 15.8 25.3 8.2 120 121 A P T 3> S+ 0 0 68 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.787 97.3 62.7 -57.4 -29.3 15.5 28.6 10.1 121 122 A G H 3>>S+ 0 0 0 1,-0.2 5,-2.5 2,-0.2 4,-0.8 0.738 85.4 76.3 -70.8 -23.1 12.8 27.2 12.3 122 123 A E H X45S+ 0 0 0 -3,-1.5 31,-2.5 -6,-0.4 3,-1.1 0.949 102.0 33.6 -54.6 -59.6 15.0 24.5 13.8 123 124 A T H 345S+ 0 0 74 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.618 117.9 56.7 -74.0 -13.5 17.0 26.6 16.3 124 125 A K H 3<5S- 0 0 141 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.482 107.2-126.7 -90.2 -7.4 14.0 28.9 16.8 125 126 A N T <<5 - 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0 0 5 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.3 -0.462 56.6-120.8 -78.4 149.3 37.3 7.7 42.0 347 348 A I E -l 312 0D 59 -36,-2.8 -34,-2.5 -2,-0.1 2,-0.5 -0.849 36.9-170.5 -89.4 114.9 34.3 8.4 39.7 348 349 A T E -l 313 0D 0 -2,-0.7 22,-1.9 -36,-0.2 21,-0.7 -0.943 8.4-173.6-114.9 128.0 35.9 9.8 36.5 349 350 A V E -lm 314 370D 3 -36,-2.6 -34,-3.3 -2,-0.5 2,-0.5 -0.978 7.6-167.0-124.5 128.6 33.9 11.4 33.6 350 351 A V E +lm 315 371D 0 20,-2.4 22,-3.1 -2,-0.4 2,-0.4 -0.960 15.6 176.1-110.9 126.3 35.3 12.5 30.3 351 352 A G E + m 0 372D 2 -36,-2.8 -34,-0.3 -2,-0.5 22,-0.3 -0.994 30.6 67.6-133.4 138.7 33.0 14.7 28.2 352 353 A G S > S- 0 0 3 20,-1.3 4,-2.5 -2,-0.4 5,-0.2 -0.138 74.9 -99.4 128.1 139.3 33.6 16.4 24.9 353 354 A G H > S+ 0 0 32 20,-0.7 4,-1.7 1,-0.2 -1,-0.1 0.935 119.7 32.0 -49.9 -61.5 34.2 15.5 21.3 354 355 A D H > S+ 0 0 88 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.779 114.3 60.4 -72.1 -28.4 38.0 15.9 21.2 355 356 A S H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 107.5 46.3 -63.8 -43.7 38.4 14.8 24.8 356 357 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.932 112.8 50.0 -62.4 -42.7 36.9 11.5 23.8 357 358 A A H X S+ 0 0 22 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.914 109.0 54.4 -60.9 -40.7 39.1 11.4 20.7 358 359 A A H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.920 107.9 45.9 -61.3 -48.6 42.0 12.1 23.0 359 360 A V H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 6,-0.5 0.897 113.2 51.8 -64.7 -35.1 41.4 9.2 25.4 360 361 A N H ><5S+ 0 0 57 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.968 104.3 56.5 -61.6 -50.4 40.9 6.9 22.4 361 362 A K H 3<5S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.9 44.1 -51.6 -33.6 44.2 8.0 20.8 362 363 A F T 3<5S- 0 0 42 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.354 114.7-112.8 -95.4 3.4 46.1 7.0 24.0 363 364 A G T < 5S+ 0 0 41 -3,-2.4 3,-0.2 -4,-0.3 -3,-0.2 0.729 82.8 120.8 72.8 27.5 44.3 3.7 24.4 364 365 A L > < + 0 0 17 -5,-2.6 3,-3.0 -6,-0.2 4,-0.3 0.420 25.0 116.1-103.8 1.9 42.6 4.8 27.6 365 366 A E G > S+ 0 0 80 -6,-0.5 3,-0.7 1,-0.3 -1,-0.2 0.781 81.6 42.8 -41.8 -42.3 38.9 4.4 26.6 366 367 A D G 3 S+ 0 0 144 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.289 96.8 80.3 -91.5 12.6 38.1 1.7 29.2 367 368 A K G < S+ 0 0 100 -3,-3.0 2,-0.3 -8,-0.1 -1,-0.2 0.484 81.7 69.7 -96.3 -4.7 40.1 3.4 32.0 368 369 A F S < S- 0 0 15 -3,-0.7 3,-0.2 -4,-0.3 -19,-0.1 -0.776 81.4-122.7-112.5 157.4 37.4 6.0 33.0 369 370 A S S S- 0 0 43 -21,-0.7 2,-0.3 -2,-0.3 -20,-0.2 0.897 96.2 -1.0 -63.9 -39.2 34.0 5.5 34.7 370 371 A H E -m 349 0D 13 -22,-1.9 -20,-2.4 2,-0.0 2,-0.4 -0.981 60.6-161.2-156.4 137.5 32.2 7.2 31.8 371 372 A V E +m 350 0D 49 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.986 18.2 172.2-120.4 131.6 33.2 8.8 28.5 372 373 A S E -m 351 0D 4 -22,-3.1 -20,-1.3 -2,-0.4 -16,-0.2 -0.976 31.8-161.4-139.0 150.4 30.8 11.2 26.6 373 374 A T S S+ 0 0 22 -2,-0.3 2,-3.3 -22,-0.3 -20,-0.7 0.611 75.8 97.6-101.4 -19.2 31.1 13.4 23.4 374 375 A G > + 0 0 2 1,-0.2 4,-1.9 -22,-0.2 5,-0.2 -0.462 53.8 162.2 -66.6 71.1 28.1 15.4 24.6 375 376 A G H > + 0 0 7 -2,-3.3 4,-1.7 2,-0.2 -1,-0.2 0.952 65.8 34.3 -65.0 -59.8 30.5 17.8 26.0 376 377 A G H > S+ 0 0 32 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.891 117.9 54.2 -65.7 -40.6 28.4 20.9 26.5 377 378 A A H > S+ 0 0 0 -231,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.896 109.3 48.0 -61.1 -42.7 25.2 18.9 27.4 378 379 A S H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.883 109.2 51.7 -69.8 -38.8 27.1 17.0 30.1 379 380 A L H X S+ 0 0 3 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.959 113.8 45.4 -61.5 -46.1 28.6 20.1 31.7 380 381 A E H >< S+ 0 0 68 -4,-2.3 3,-1.1 1,-0.2 5,-0.3 0.868 107.1 58.6 -63.5 -37.3 25.2 21.7 31.8 381 382 A F H >< S+ 0 0 21 -4,-2.1 3,-2.7 1,-0.3 -1,-0.2 0.953 97.5 61.4 -55.6 -50.3 23.6 18.5 33.2 382 383 A L H 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.721 87.1 75.5 -51.1 -23.6 26.0 18.7 36.2 383 384 A E T << S- 0 0 38 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.615 105.4-122.6 -66.5 -14.8 24.4 22.0 37.2 384 385 A G S < S+ 0 0 28 -3,-2.7 2,-0.1 1,-0.3 -2,-0.1 0.021 72.3 113.1 100.9 -31.2 21.3 20.2 38.5 385 386 A K S S- 0 0 120 -5,-0.3 2,-0.3 1,-0.1 -1,-0.3 -0.493 76.8 -99.9 -76.6 149.4 18.4 21.8 36.5 386 387 A E - 0 0 116 -2,-0.1 -1,-0.1 -3,-0.1 -5,-0.0 -0.524 38.9-121.3 -72.0 128.6 16.6 19.5 34.0 387 388 A L >> - 0 0 6 -2,-0.3 4,-3.0 1,-0.1 3,-2.2 -0.428 16.7-121.0 -70.4 143.5 17.7 20.0 30.4 388 389 A P H 3> S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 -239,-0.2 0.866 113.1 52.3 -51.3 -40.3 15.0 21.1 27.9 389 390 A G H 34 S+ 0 0 0 -241,-2.8 -240,-0.1 1,-0.2 -241,-0.1 0.459 115.2 42.3 -76.6 -5.6 15.7 18.0 25.7 390 391 A I H X4 S+ 0 0 3 -3,-2.2 3,-1.7 -242,-0.4 -1,-0.2 0.713 109.9 55.0-104.2 -40.3 15.2 15.8 28.7 391 392 A A H 3< S+ 0 0 53 -4,-3.0 -2,-0.2 1,-0.3 4,-0.1 0.871 99.5 64.4 -59.9 -37.5 12.2 17.6 30.2 392 393 A S T 3< S+ 0 0 28 -4,-2.0 -1,-0.3 -5,-0.3 -228,-0.2 0.593 85.7 94.4 -63.9 -13.6 10.4 17.1 26.8 393 394 A M S < S- 0 0 6 -3,-1.7 -228,-0.2 1,-0.1 2,-0.1 -0.568 85.8-100.5 -85.2 148.4 10.4 13.4 27.2 394 395 A R - 0 0 113 -230,-2.5 -391,-3.0 -2,-0.2 -228,-0.2 -0.418 34.5-122.2 -66.6 137.6 7.5 11.4 28.7 395 396 A I B -A 2 0A 105 -393,-0.2 2,-0.5 -2,-0.1 -393,-0.2 -0.437 28.9-109.7 -77.7 148.1 7.8 10.4 32.3 396 397 A K + 0 0 89 -395,-2.5 2,-0.1 -2,-0.1 -1,-0.1 -0.750 54.2 155.1 -84.3 123.9 7.5 6.6 33.0 397 398 A K 0 0 179 -2,-0.5 -1,-0.0 -3,-0.0 -3,-0.0 -0.447 360.0 360.0-128.1-160.4 4.1 5.8 34.8 398 399 A A 0 0 177 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.676 360.0 360.0-171.9 360.0 1.6 3.0 35.3