==== 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 TRANSFERASE 13-APR-07 2UYT . COMPND 2 MOLECULE: RHAMNULOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.GRUENINGER,G.E.SCHULZ . 479 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 1 1 4 2 1 4 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 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 PARALLEL BRIDGES PER LADDER . 1 2 3 2 1 0 1 1 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 . 1 2 0 0 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 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 T 0 0 130 0, 0.0 23,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -11.6 5.1 9.9 41.3 2 3 A F - 0 0 81 21,-0.1 2,-0.4 22,-0.1 21,-0.3 -0.648 360.0-135.3 -72.6 142.4 1.4 9.4 40.8 3 4 A R E -A 22 0A 68 19,-3.2 19,-2.4 -2,-0.3 2,-0.6 -0.821 6.9-148.0-104.5 144.4 0.6 9.7 37.1 4 5 A N E +A 21 0A 17 68,-0.4 70,-3.0 -2,-0.4 71,-0.9 -0.950 23.5 178.7-111.7 108.9 -2.4 11.7 35.7 5 6 A C E -Ab 20 75A 0 15,-2.1 15,-3.1 -2,-0.6 2,-0.5 -0.932 17.3-147.9-117.3 135.3 -3.7 10.1 32.5 6 7 A V E -Ab 19 76A 0 69,-2.6 71,-1.9 -2,-0.4 2,-0.5 -0.888 11.2-166.2-105.2 126.4 -6.6 11.3 30.4 7 8 A A E -Ab 18 77A 0 11,-2.5 11,-2.9 -2,-0.5 2,-0.5 -0.944 6.7-160.7-109.6 131.7 -8.7 8.8 28.4 8 9 A V E -Ab 17 78A 0 69,-2.8 71,-2.9 -2,-0.5 2,-0.5 -0.964 13.2-177.7-105.1 121.5 -11.2 9.8 25.7 9 10 A D E -Ab 16 79A 4 7,-2.5 7,-1.6 -2,-0.5 2,-0.6 -0.958 3.7-171.8-124.4 108.7 -13.7 7.0 25.1 10 11 A L E +Ab 15 80A 0 69,-2.6 71,-1.1 -2,-0.5 5,-0.3 -0.908 8.4 176.0-104.4 115.8 -16.3 7.7 22.4 11 12 A G - 0 0 6 3,-3.1 -2,-0.0 -2,-0.6 29,-0.0 -0.619 46.0-102.3-104.3 173.3 -19.1 5.2 22.0 12 13 A A S S+ 0 0 15 -2,-0.2 3,-0.1 1,-0.2 27,-0.1 0.798 122.2 36.8 -63.2 -29.9 -22.1 5.3 19.7 13 14 A S S S- 0 0 55 1,-0.3 26,-1.0 27,-0.1 2,-0.3 0.649 129.2 -1.3-100.2 -18.4 -24.4 6.5 22.5 14 15 A S E - C 0 38A 13 24,-0.2 -3,-3.1 2,-0.0 2,-0.3 -0.977 54.5-138.6-163.4 155.8 -22.0 8.8 24.4 15 16 A G E -AC 10 37A 0 22,-3.0 22,-2.6 -2,-0.3 2,-0.3 -0.881 21.3-170.4-116.3 155.8 -18.5 10.2 24.7 16 17 A R E -AC 9 36A 24 -7,-1.6 -7,-2.5 -2,-0.3 2,-0.5 -0.998 19.4-157.2-147.3 137.9 -16.5 10.7 27.8 17 18 A V E +AC 8 35A 0 18,-2.7 17,-2.7 -2,-0.3 18,-1.8 -0.991 29.4 180.0-111.9 120.3 -13.2 12.4 28.9 18 19 A M E -AC 7 33A 8 -11,-2.9 -11,-2.5 -2,-0.5 2,-0.5 -0.901 21.9-142.7-124.7 151.5 -12.0 10.8 32.0 19 20 A L E -AC 6 32A 7 13,-3.1 13,-2.6 -2,-0.3 2,-0.3 -0.963 14.1-164.0-116.4 124.3 -8.9 11.4 34.3 20 21 A A E -AC 5 31A 1 -15,-3.1 -15,-2.1 -2,-0.5 2,-0.5 -0.821 5.7-158.0-101.5 144.2 -7.1 8.5 36.0 21 22 A R E +AC 4 30A 97 9,-2.1 9,-2.3 -2,-0.3 2,-0.4 -0.990 21.5 176.0-118.5 123.4 -4.7 8.8 38.9 22 23 A Y E +AC 3 29A 6 -19,-2.4 -19,-3.2 -2,-0.5 2,-0.4 -0.984 18.2 180.0-130.9 133.6 -2.3 5.9 39.2 23 24 A E E >>> - C 0 28A 37 5,-1.8 5,-1.3 -2,-0.4 3,-1.2 -0.933 17.9-152.1-136.1 123.6 0.6 5.1 41.4 24 25 A R G >45S+ 0 0 95 -2,-0.4 3,-0.7 -23,-0.3 -1,-0.1 0.836 93.2 53.2 -50.9 -48.7 2.5 1.9 41.1 25 26 A E G 345S+ 0 0 165 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.730 115.6 42.1 -62.5 -26.3 3.7 1.5 44.7 26 27 A C G <45S- 0 0 71 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.585 95.5-138.4 -95.3 -15.1 0.2 1.9 46.0 27 28 A R T <<5 + 0 0 101 -4,-1.0 2,-0.5 -3,-0.7 -3,-0.2 0.776 55.2 150.8 54.3 26.8 -1.5 -0.3 43.3 28 29 A S E < +C 23 0A 38 -5,-1.3 -5,-1.8 2,-0.0 2,-0.4 -0.785 24.4 175.9 -95.9 128.9 -4.1 2.6 43.5 29 30 A L E +C 22 0A 9 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.972 3.3 177.7-132.8 116.3 -6.1 3.4 40.4 30 31 A T E -C 21 0A 75 -9,-2.3 -9,-2.1 -2,-0.4 2,-0.4 -0.913 11.2-159.1-120.0 151.8 -8.8 6.0 40.5 31 32 A L E -C 20 0A 56 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.997 8.1-177.1-134.2 124.9 -11.0 7.3 37.7 32 33 A R E -C 19 0A 133 -13,-2.6 -13,-3.1 -2,-0.4 2,-0.4 -0.975 26.8-123.9-120.7 137.5 -12.9 10.7 37.6 33 34 A E E +C 18 0A 101 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.1 -0.627 28.2 174.4 -78.5 130.0 -15.3 11.9 34.9 34 35 A I E + 0 0 24 -17,-2.7 2,-0.3 -2,-0.4 -16,-0.2 0.819 69.5 0.3 -98.9 -48.4 -14.2 15.3 33.5 35 36 A H E -C 17 0A 47 -18,-1.8 -18,-2.7 2,-0.0 2,-0.4 -0.951 58.0-172.2-149.9 121.2 -16.7 15.7 30.6 36 37 A R E +C 16 0A 85 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.940 17.7 173.7-110.4 138.4 -19.6 13.5 29.4 37 38 A F E -C 15 0A 23 -22,-2.6 -22,-3.0 -2,-0.4 -2,-0.0 -0.994 32.0 -96.6-146.5 151.5 -21.4 14.4 26.2 38 39 A N E +C 14 0A 150 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.277 34.9 176.6 -65.5 148.0 -24.0 13.0 23.9 39 40 A N + 0 0 15 -26,-1.0 2,-0.3 -27,-0.1 11,-0.1 -0.949 19.3 125.9-145.3 157.7 -23.2 11.0 20.7 40 41 A G - 0 0 22 -2,-0.3 11,-0.4 9,-0.1 2,-0.1 -0.936 59.0 -54.4 164.8 171.3 -25.6 9.4 18.4 41 42 A L - 0 0 58 -2,-0.3 2,-0.4 9,-0.1 9,-0.2 -0.433 43.5-156.5 -77.6 147.6 -26.6 9.3 14.8 42 43 A H E -G 49 0B 78 7,-2.3 7,-3.1 -2,-0.1 2,-0.6 -0.984 15.7-134.0-122.9 137.1 -27.4 12.4 12.8 43 44 A S E +G 48 0B 120 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.820 36.4 170.7 -83.4 120.8 -29.5 12.7 9.7 44 45 A Q E > -G 47 0B 72 3,-2.7 3,-1.4 -2,-0.6 -2,-0.1 -0.928 63.8 -26.8-141.4 111.0 -27.5 14.9 7.4 45 46 A N T 3 S- 0 0 133 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.840 126.2 -47.0 52.5 40.1 -28.4 15.5 3.7 46 47 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.524 122.1 98.8 82.6 6.1 -30.2 12.0 3.5 47 48 A Y E < S-G 44 0B 63 -3,-1.4 -3,-2.7 56,-0.1 2,-0.6 -0.791 75.3-119.9-117.1 163.0 -27.3 10.2 5.2 48 49 A V E +G 43 0B 24 -2,-0.3 52,-2.7 -5,-0.2 55,-0.3 -0.940 50.5 162.5-102.4 119.0 -26.7 8.9 8.7 49 50 A T E -GH 42 99B 0 -7,-3.1 -7,-2.3 -2,-0.6 2,-0.4 -0.796 39.2-113.2-134.3 170.6 -23.6 10.6 10.0 50 51 A W - 0 0 2 48,-2.2 2,-1.5 -2,-0.2 3,-0.2 -0.856 25.7-129.0-102.9 144.7 -21.5 11.5 13.0 51 52 A D > + 0 0 57 -11,-0.4 4,-2.0 -2,-0.4 3,-0.4 -0.643 37.0 170.9 -89.1 80.2 -21.1 15.1 14.1 52 53 A V H > S+ 0 0 1 -2,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.832 70.4 58.5 -64.7 -32.3 -17.3 14.8 14.3 53 54 A D H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 108.1 45.7 -65.9 -38.7 -16.8 18.6 14.8 54 55 A S H > S+ 0 0 59 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.892 112.9 51.0 -70.0 -38.2 -18.9 18.6 17.9 55 56 A L H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.933 110.3 49.6 -62.6 -45.2 -17.1 15.5 19.2 56 57 A E H X S+ 0 0 29 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.912 112.0 47.2 -59.6 -44.1 -13.8 17.2 18.6 57 58 A S H X S+ 0 0 71 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.920 111.3 52.1 -63.5 -42.8 -14.9 20.4 20.5 58 59 A A H X S+ 0 0 11 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.889 109.8 49.1 -58.8 -41.1 -16.2 18.2 23.4 59 60 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.956 112.8 47.2 -63.2 -49.4 -12.9 16.4 23.6 60 61 A R H X S+ 0 0 79 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.898 108.1 55.9 -60.4 -41.8 -11.0 19.7 23.6 61 62 A L H X S+ 0 0 86 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.935 110.9 44.8 -55.1 -48.6 -13.4 21.1 26.3 62 63 A G H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.921 114.0 48.1 -62.9 -46.2 -12.6 18.1 28.5 63 64 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.935 111.9 50.2 -58.3 -45.7 -8.8 18.3 27.9 64 65 A N H X S+ 0 0 56 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.824 104.9 58.3 -67.0 -30.8 -8.8 22.1 28.6 65 66 A K H X S+ 0 0 124 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.924 108.1 45.4 -58.7 -48.4 -10.7 21.5 31.8 66 67 A V H <>S+ 0 0 2 -4,-1.7 5,-1.6 2,-0.2 4,-0.3 0.934 114.7 49.7 -61.5 -45.8 -7.9 19.3 33.1 67 68 A a H ><5S+ 0 0 16 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.922 109.2 50.0 -56.7 -50.4 -5.3 21.9 31.9 68 69 A A H 3<5S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.774 101.7 62.7 -66.1 -26.0 -7.1 24.8 33.6 69 70 A A T 3<5S- 0 0 71 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.570 114.8-119.2 -71.7 -9.1 -7.3 22.9 36.9 70 71 A G T < 5 + 0 0 67 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.732 57.3 157.4 76.7 23.6 -3.4 23.0 36.8 71 72 A I < - 0 0 41 -5,-1.6 2,-1.1 1,-0.1 -1,-0.2 -0.631 47.7-121.2 -82.3 136.3 -3.1 19.1 36.7 72 73 A A - 0 0 70 -2,-0.3 2,-0.5 1,-0.0 -68,-0.4 -0.684 30.2-151.7 -77.1 101.4 0.2 17.8 35.3 73 74 A I - 0 0 18 -2,-1.1 -68,-0.2 1,-0.2 3,-0.1 -0.662 17.1-175.8 -81.2 123.6 -1.1 15.6 32.5 74 75 A D - 0 0 35 -70,-3.0 2,-0.3 -2,-0.5 -69,-0.2 0.782 64.0 -14.8 -88.5 -30.1 1.3 12.7 31.7 75 76 A S E -b 5 0A 0 -71,-0.9 -69,-2.6 152,-0.1 2,-0.3 -0.984 49.6-144.5-166.2 161.7 -0.5 11.4 28.7 76 77 A I E -bd 6 229A 0 152,-1.9 154,-3.0 -2,-0.3 2,-0.3 -0.974 18.2-179.1-128.6 144.5 -3.7 11.3 26.6 77 78 A G E -bd 7 230A 0 -71,-1.9 -69,-2.8 -2,-0.3 2,-0.4 -0.993 10.9-151.4-146.4 148.9 -5.2 8.4 24.7 78 79 A I E +b 8 0A 2 152,-0.6 154,-0.4 -2,-0.3 2,-0.4 -0.955 13.3 174.6-126.7 129.3 -8.3 7.9 22.5 79 80 A D E +b 9 0A 0 -71,-2.9 -69,-2.6 -2,-0.4 2,-0.3 -0.972 10.6 168.5-127.2 148.4 -10.6 4.9 21.8 80 81 A T E -be 10 235A 0 154,-2.6 156,-2.9 -2,-0.4 157,-0.2 -0.919 43.8 -65.9-143.4 174.0 -13.8 4.9 19.8 81 82 A W - 0 0 9 -71,-1.1 78,-0.2 -2,-0.3 3,-0.1 -0.253 63.7-112.2 -57.1 150.1 -16.3 2.6 18.2 82 83 A G S S+ 0 0 10 1,-0.1 2,-2.6 77,-0.1 -1,-0.1 0.078 80.5 33.1 -77.7-176.2 -14.8 0.5 15.4 83 84 A V S S+ 0 0 13 94,-0.4 -1,-0.1 1,-0.0 55,-0.1 -0.152 85.2 105.4 73.1 -45.6 -15.1 0.3 11.6 84 85 A D - 0 0 0 -2,-2.6 75,-2.1 -3,-0.1 2,-0.3 -0.318 45.0-178.2 -78.9 155.5 -15.9 4.0 10.8 85 86 A F E -I 158 0C 13 14,-0.4 2,-0.4 73,-0.3 73,-0.2 -0.894 24.5-130.7-144.1 167.1 -13.4 6.5 9.2 86 87 A V E -I 157 0C 4 71,-2.7 71,-2.7 -2,-0.3 2,-0.4 -0.996 21.9-139.3-123.9 131.8 -12.8 10.0 8.1 87 88 A L E -IJ 156 95C 7 8,-0.5 8,-2.3 -2,-0.4 2,-0.3 -0.752 20.8-163.1 -89.0 139.4 -11.4 10.9 4.6 88 89 A L E -IJ 155 94C 0 67,-3.3 66,-3.2 -2,-0.4 67,-2.0 -0.941 10.8-138.4-126.9 141.8 -8.8 13.7 4.4 89 90 A D > - 0 0 45 4,-2.7 3,-2.5 -2,-0.3 64,-0.1 -0.312 48.7 -81.4 -86.2 178.4 -7.4 15.8 1.6 90 91 A Q T 3 S+ 0 0 156 62,-0.4 63,-0.1 1,-0.3 -1,-0.1 0.710 132.7 46.1 -56.9 -21.3 -3.8 16.7 1.2 91 92 A Q T 3 S- 0 0 143 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.297 122.1-102.5-105.8 9.4 -4.1 19.6 3.7 92 93 A G S < S+ 0 0 3 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.568 74.4 139.3 85.3 11.0 -6.1 17.6 6.2 93 94 A Q - 0 0 125 1,-0.1 -4,-2.7 -5,-0.0 -1,-0.3 -0.647 60.3 -96.3 -84.1 146.1 -9.6 18.9 5.5 94 95 A R E -J 88 0C 77 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.296 30.1-148.8 -64.3 140.9 -12.4 16.4 5.5 95 96 A V E -J 87 0C 13 -8,-2.3 -8,-0.5 2,-0.1 -1,-0.1 -0.961 62.2 -23.3-112.2 125.9 -13.6 14.9 2.2 96 97 A G S S- 0 0 37 -2,-0.5 -9,-0.0 -10,-0.1 50,-0.0 -0.176 102.3 -41.8 68.5-167.7 -17.3 14.0 1.9 97 98 A L - 0 0 55 -53,-0.0 2,-1.8 -11,-0.0 -10,-0.2 -0.591 52.8-111.8 -91.6 153.3 -19.5 13.4 5.0 98 99 A P - 0 0 3 0, 0.0 -48,-2.2 0, 0.0 -12,-0.1 -0.589 46.1-161.5 -82.8 77.1 -18.5 11.3 8.1 99 100 A V B -H 49 0B 5 -2,-1.8 -14,-0.4 -50,-0.2 -50,-0.3 -0.368 7.6-131.2 -68.2 138.6 -20.9 8.6 7.3 100 101 A A > - 0 0 1 -52,-2.7 3,-1.9 -58,-0.2 -52,-0.2 -0.502 19.3-114.0 -88.8 155.9 -21.8 6.3 10.2 101 102 A Y T 3 S+ 0 0 11 1,-0.3 5,-0.1 -2,-0.2 -1,-0.1 0.704 113.6 67.1 -63.2 -18.6 -21.9 2.4 10.0 102 103 A R T 3 S+ 0 0 8 -54,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.513 77.7 111.6 -76.4 -7.9 -25.7 2.5 10.5 103 104 A D X - 0 0 10 -3,-1.9 3,-0.6 -55,-0.3 -56,-0.1 -0.378 69.5-136.2 -69.5 148.0 -26.1 4.1 7.0 104 105 A S G > S+ 0 0 77 1,-0.2 3,-2.2 2,-0.1 -1,-0.1 0.421 77.8 103.4 -89.1 5.2 -27.7 2.1 4.3 105 106 A R G 3 S+ 0 0 22 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.789 80.1 56.0 -56.0 -28.6 -25.2 3.0 1.5 106 107 A T G X S+ 0 0 5 -3,-0.6 3,-2.6 -5,-0.1 4,-0.5 0.570 74.5 135.4 -81.7 -8.5 -23.6 -0.4 2.0 107 108 A N T < S+ 0 0 121 -3,-2.2 -3,-0.0 1,-0.3 26,-0.0 -0.123 78.5 5.5 -52.1 126.6 -26.8 -2.5 1.4 108 109 A G T 3> S+ 0 0 56 1,-0.0 4,-1.6 4,-0.0 -1,-0.3 0.197 102.5 101.7 90.4 -13.9 -26.1 -5.4 -0.9 109 110 A L H <> S+ 0 0 8 -3,-2.6 4,-2.6 2,-0.2 5,-0.1 0.833 74.1 55.5 -78.3 -33.5 -22.4 -4.9 -1.1 110 111 A M H > S+ 0 0 36 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.921 110.0 47.4 -61.1 -45.2 -21.2 -7.6 1.3 111 112 A A H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.904 110.5 53.7 -60.8 -39.7 -23.1 -10.2 -0.7 112 113 A Q H X S+ 0 0 47 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.942 108.0 49.1 -61.1 -48.4 -21.5 -8.7 -3.8 113 114 A A H X>S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.7 0.898 110.9 50.2 -55.3 -44.8 -18.0 -9.1 -2.3 114 115 A Q H X5S+ 0 0 42 -4,-2.2 4,-1.5 3,-0.2 5,-0.3 0.931 112.9 47.3 -61.4 -43.1 -18.8 -12.7 -1.4 115 116 A Q H <5S+ 0 0 154 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.877 121.1 35.5 -64.4 -40.1 -20.0 -13.4 -4.9 116 117 A Q H <5S+ 0 0 118 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.885 133.1 23.2 -85.3 -40.7 -17.0 -11.8 -6.6 117 118 A L H <5S- 0 0 49 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.743 111.5-104.0 -96.6 -27.9 -14.1 -12.7 -4.3 118 119 A G X< - 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0 0 3 -2,-0.4 2,-0.9 164,-0.1 152,-0.1 -0.210 37.3-104.1 -58.3 148.5 -16.9 -11.8 10.8 130 131 A F + 0 0 10 150,-0.0 -1,-0.1 3,-0.0 151,-0.0 -0.703 49.0 164.2 -78.6 107.1 -19.2 -10.7 8.0 131 132 A L > - 0 0 21 -2,-0.9 3,-2.3 1,-0.1 -3,-0.0 -0.996 39.5-134.7-119.7 132.6 -21.0 -7.5 9.0 132 133 A P T 3 S+ 0 0 24 0, 0.0 -22,-0.2 0, 0.0 -23,-0.1 0.703 104.8 51.7 -64.4 -17.2 -22.7 -5.7 6.2 133 134 A F T 3 S+ 0 0 12 4,-0.1 5,-0.1 -24,-0.1 -30,-0.1 0.211 76.6 137.5-101.7 10.7 -21.3 -2.4 7.4 134 135 A N S X> S- 0 0 2 -3,-2.3 4,-1.6 1,-0.1 3,-1.5 -0.250 70.4-110.0 -52.1 148.3 -17.6 -3.5 7.6 135 136 A T H 3> S+ 0 0 1 45,-0.4 4,-2.8 1,-0.3 5,-0.3 0.832 117.0 68.0 -51.7 -39.3 -15.2 -0.8 6.3 136 137 A L H 3> S+ 0 0 0 45,-2.2 4,-1.2 1,-0.2 -1,-0.3 0.886 108.1 37.5 -42.9 -47.1 -14.5 -3.1 3.3 137 138 A Y H <> S+ 0 0 0 -3,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.817 111.8 58.1 -83.1 -31.4 -18.1 -2.5 2.1 138 139 A Q H X S+ 0 0 3 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.895 107.1 47.8 -62.0 -45.3 -18.2 1.2 3.2 139 140 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.871 109.7 53.3 -66.3 -37.9 -15.2 2.0 1.0 140 141 A R H X S+ 0 0 52 -4,-1.2 4,-2.0 -5,-0.3 5,-0.3 0.933 110.7 47.5 -57.3 -47.7 -16.8 0.1 -1.9 141 142 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.942 113.5 48.4 -57.9 -47.8 -20.0 2.2 -1.4 142 143 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 7,-0.2 0.922 114.8 42.1 -60.1 -51.8 -17.9 5.4 -1.3 143 144 A T H < S+ 0 0 20 -4,-2.7 -1,-0.2 56,-0.4 -2,-0.2 0.808 120.1 44.3 -70.7 -29.1 -15.8 4.7 -4.4 144 145 A E H < S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.894 124.5 31.4 -76.2 -46.9 -18.8 3.4 -6.4 145 146 A Q H < S+ 0 0 75 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.675 127.4 37.1 -91.7 -22.6 -21.4 6.1 -5.4 146 147 A Q >X + 0 0 38 -4,-2.3 3,-1.8 -5,-0.3 4,-0.6 -0.361 62.5 151.6-128.5 54.6 -19.1 9.1 -4.9 147 148 A P G >4 + 0 0 70 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.785 69.7 64.9 -59.0 -29.5 -16.4 8.8 -7.7 148 149 A E G 34 S+ 0 0 117 1,-0.2 4,-0.2 2,-0.2 -5,-0.1 0.722 97.6 55.0 -67.3 -23.3 -15.9 12.6 -7.8 149 150 A L G X> S+ 0 0 34 -3,-1.8 3,-1.4 -7,-0.2 4,-0.6 0.764 88.6 83.3 -74.9 -26.5 -14.6 12.7 -4.2 150 151 A I G X< S+ 0 0 53 -3,-0.8 3,-1.4 -4,-0.6 -1,-0.2 0.829 83.6 51.6 -54.4 -49.0 -11.8 10.1 -5.0 151 152 A P G 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.746 106.8 58.4 -61.4 -20.9 -9.1 12.3 -6.5 152 153 A H G <4 S+ 0 0 122 -3,-1.4 2,-0.4 -4,-0.2 -62,-0.4 0.662 82.3 102.2 -82.1 -17.3 -9.3 14.6 -3.5 153 154 A I << + 0 0 13 -3,-1.4 -64,-0.2 -4,-0.6 3,-0.1 -0.553 31.2 160.7 -79.4 121.5 -8.5 11.8 -0.9 154 155 A A + 0 0 27 -66,-3.2 2,-0.3 -2,-0.4 -65,-0.2 0.725 69.3 6.2-100.7 -36.7 -5.0 11.8 0.5 155 156 A H E -I 88 0C 57 -67,-2.0 -67,-3.3 2,-0.0 2,-0.5 -0.994 53.3-149.2-149.0 148.6 -5.6 9.7 3.6 156 157 A A E -I 87 0C 2 49,-2.5 2,-0.4 -2,-0.3 -69,-0.2 -0.995 20.6-168.7-116.8 125.0 -8.3 7.7 5.4 157 158 A L E -I 86 0C 0 -71,-2.7 -71,-2.7 -2,-0.5 16,-0.1 -0.962 22.0-125.5-115.0 129.9 -8.1 7.7 9.2 158 159 A L E > -I 85 0C 3 -2,-0.4 4,-2.3 14,-0.3 3,-0.4 -0.391 44.2 -95.1 -64.4 155.2 -10.2 5.4 11.4 159 160 A M H > S+ 0 0 1 -75,-2.1 4,-2.0 1,-0.2 5,-0.2 0.810 122.2 46.3 -48.4 -47.7 -12.1 7.4 14.0 160 161 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.936 115.4 47.6 -62.5 -44.4 -9.7 7.2 17.0 161 162 A D H > S+ 0 0 2 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.811 106.3 59.5 -66.7 -29.7 -6.7 8.1 14.8 162 163 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.951 109.5 41.9 -60.9 -49.2 -8.7 10.9 13.3 163 164 A F H X S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.907 112.1 53.9 -68.6 -35.7 -9.1 12.6 16.7 164 165 A S H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 6,-0.4 0.887 109.9 50.1 -60.4 -36.5 -5.5 11.8 17.6 165 166 A Y H X S+ 0 0 33 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.889 106.0 54.0 -67.8 -41.5 -4.5 13.6 14.3 166 167 A R H < S+ 0 0 50 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 115.8 41.2 -64.0 -29.5 -6.7 16.6 15.2 167 168 A L H < S+ 0 0 15 -4,-1.7 53,-0.3 -5,-0.1 -2,-0.2 0.859 130.8 22.2 -82.6 -39.4 -4.9 16.9 18.5 168 169 A T H < S- 0 0 25 -4,-2.4 50,-0.3 2,-0.3 -3,-0.2 0.728 88.7-126.8-103.7 -25.3 -1.3 16.2 17.3 169 170 A G S < S+ 0 0 50 -4,-3.0 2,-0.3 1,-0.3 -4,-0.2 0.441 77.4 110.8 81.5 5.2 -1.2 17.0 13.6 170 171 A K - 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0 0 0 1,-0.2 3,-1.5 -39,-0.2 4,-0.3 -0.126 49.2 -13.3 75.9-155.2 -27.3 -5.6 22.0 299 300 A L T 3> S+ 0 0 18 -42,-1.3 4,-2.9 1,-0.3 3,-0.3 0.533 107.0 92.2 -78.1 -6.9 -28.8 -2.7 23.9 300 301 A W H <> S+ 0 0 18 -42,-2.3 4,-2.2 -3,-0.8 -1,-0.3 0.890 83.1 58.3 -39.3 -45.6 -29.2 -0.7 20.7 301 302 A L H <> S+ 0 0 0 -3,-1.5 4,-1.7 -43,-0.2 -1,-0.2 0.914 109.6 42.1 -60.4 -40.6 -32.7 -2.2 20.5 302 303 A L H > S+ 0 0 5 -4,-0.3 4,-3.0 -3,-0.3 5,-0.2 0.912 108.2 58.8 -74.2 -40.0 -33.5 -0.7 23.9 303 304 A Q H X S+ 0 0 58 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.923 109.5 46.0 -50.5 -45.6 -31.9 2.6 23.2 304 305 A R H X S+ 0 0 19 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.899 111.2 50.7 -67.7 -42.9 -34.3 3.0 20.2 305 306 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.898 107.2 55.2 -59.7 -43.6 -37.4 1.9 22.2 306 307 A L H <>S+ 0 0 31 -4,-3.0 5,-2.4 1,-0.2 4,-0.4 0.909 111.5 43.3 -59.1 -44.0 -36.6 4.4 24.9 307 308 A Q H ><5S+ 0 0 123 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.954 115.1 48.8 -67.9 -45.5 -36.5 7.2 22.4 308 309 A E H 3<5S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.879 118.6 38.0 -62.9 -40.2 -39.6 6.1 20.5 309 310 A R T 3<5S- 0 0 92 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.339 109.0-122.1 -95.4 6.5 -41.8 5.6 23.7 310 311 A Q T < 5 + 0 0 171 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.903 48.6 167.7 55.9 49.2 -40.3 8.7 25.4 311 312 A I < + 0 0 31 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.851 13.5 172.6 -96.4 120.2 -39.1 6.7 28.5 312 313 A N + 0 0 159 -2,-0.6 2,-0.5 1,-0.2 -1,-0.1 0.400 62.5 67.2-112.1 1.8 -36.7 8.8 30.6 313 314 A D > + 0 0 79 1,-0.1 4,-1.8 -7,-0.1 -1,-0.2 -0.812 51.8 170.9-124.6 88.5 -36.2 6.5 33.7 314 315 A L H > S+ 0 0 68 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.916 77.7 55.5 -67.5 -46.4 -34.3 3.4 32.6 315 316 A P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.915 109.5 49.1 -52.7 -40.6 -33.7 2.1 36.1 316 317 A A H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.891 108.9 52.0 -63.4 -40.9 -37.5 2.2 36.7 317 318 A L H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.923 110.1 49.1 -60.7 -43.4 -38.1 0.4 33.4 318 319 A I H X S+ 0 0 21 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.934 110.8 50.1 -63.7 -44.1 -35.7 -2.4 34.4 319 320 A A H < S+ 0 0 60 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.907 112.6 46.5 -60.5 -42.1 -37.4 -2.7 37.8 320 321 A A H >< S+ 0 0 52 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.913 108.8 55.9 -63.8 -43.3 -40.9 -2.9 36.2 321 322 A T H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.797 94.3 68.5 -63.0 -29.9 -39.6 -5.4 33.6 322 323 A Q T 3< S+ 0 0 106 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.756 95.4 56.3 -57.0 -29.1 -38.4 -7.7 36.5 323 324 A A T < S+ 0 0 93 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.535 88.6 93.6 -84.2 -11.1 -42.1 -8.4 37.4 324 325 A L S < S- 0 0 41 -3,-1.5 -3,-0.0 -4,-0.3 0, 0.0 -0.648 85.7-106.2 -83.8 140.4 -43.0 -9.6 33.9 325 326 A P - 0 0 40 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.319 43.5-113.1 -61.1 149.9 -42.9 -13.4 33.1 326 327 A A S S+ 0 0 12 1,-0.2 43,-0.1 2,-0.1 42,-0.0 -0.469 78.7 14.7 -91.7 152.6 -39.9 -14.4 31.0 327 328 A C S S+ 0 0 18 41,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.623 76.3 119.1 67.5 21.6 -39.6 -15.8 27.4 328 329 A R S S+ 0 0 148 -3,-0.4 2,-0.5 1,-0.3 -1,-0.1 0.752 79.9 42.3 -79.7 -28.2 -43.1 -15.0 26.1 329 330 A F S S+ 0 0 9 28,-0.1 2,-0.5 36,-0.1 -1,-0.3 -0.957 72.4 173.2-123.6 112.5 -41.6 -12.8 23.4 330 331 A I + 0 0 29 -2,-0.5 2,-0.3 -3,-0.2 27,-0.1 -0.972 2.7 164.7-126.9 119.5 -38.5 -14.1 21.6 331 332 A I - 0 0 13 -2,-0.5 3,-0.1 38,-0.4 17,-0.0 -0.745 42.6-111.9-115.5 167.4 -36.9 -12.4 18.7 332 333 A N > - 0 0 82 -2,-0.3 3,-2.1 1,-0.1 42,-0.1 -0.891 26.1-164.5 -99.3 103.3 -33.5 -12.8 17.1 333 334 A P T 3 S+ 0 0 2 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.768 84.0 62.3 -59.6 -26.3 -31.7 -9.5 17.8 334 335 A N T 3 S+ 0 0 40 -3,-0.1 5,-0.1 3,-0.1 -39,-0.0 0.523 72.1 121.9 -80.5 -4.1 -29.0 -10.2 15.2 335 336 A D S X S- 0 0 66 -3,-2.1 3,-2.4 1,-0.2 4,-0.2 -0.353 73.6-123.5 -56.1 134.8 -31.5 -10.2 12.4 336 337 A D G > S+ 0 0 104 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.752 105.2 76.9 -52.9 -29.0 -30.5 -7.6 9.9 337 338 A R G 3 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.677 91.6 54.9 -55.6 -19.7 -33.9 -6.0 10.2 338 339 A F G < S+ 0 0 2 -3,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.456 79.0 91.5 -97.0 0.4 -32.8 -4.5 13.5 339 340 A I S < S- 0 0 28 -3,-2.0 -1,-0.1 1,-0.2 -2,-0.1 0.956 116.3 -22.4 -62.8 -52.2 -29.7 -2.7 12.3 340 341 A N S S+ 0 0 53 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 -0.161 75.8 171.0-156.2 61.5 -31.5 0.6 11.7 341 342 A P - 0 0 14 0, 0.0 3,-0.3 0, 0.0 -3,-0.0 -0.330 38.7-127.7 -68.3 153.3 -35.3 0.3 11.2 342 343 A D S S+ 0 0 148 1,-0.3 2,-0.5 2,-0.1 4,-0.0 0.860 104.2 33.1 -65.7 -36.5 -37.2 3.5 11.1 343 344 A E > - 0 0 112 1,-0.1 4,-1.8 2,-0.0 -1,-0.3 -0.888 67.5-178.6-126.2 97.8 -39.6 2.2 13.7 344 345 A M H > S+ 0 0 0 -2,-0.5 4,-2.4 -3,-0.3 5,-0.2 0.900 82.8 49.9 -64.2 -47.1 -37.9 -0.1 16.3 345 346 A C H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 112.8 47.9 -58.7 -46.0 -41.0 -0.9 18.4 346 347 A S H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 110.8 51.9 -62.6 -37.7 -43.0 -1.8 15.2 347 348 A E H X S+ 0 0 53 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.914 110.1 47.4 -67.2 -43.9 -40.2 -4.0 13.9 348 349 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.931 113.7 49.1 -60.6 -45.6 -39.9 -6.0 17.2 349 350 A Q H X S+ 0 0 39 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.896 110.5 50.0 -61.9 -40.7 -43.7 -6.4 17.2 350 351 A A H X S+ 0 0 37 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.921 109.3 51.7 -63.6 -45.9 -43.7 -7.6 13.5 351 352 A A H X S+ 0 0 10 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.902 111.7 46.9 -56.7 -44.9 -40.9 -10.1 14.3 352 353 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-0.6 0.916 111.9 49.7 -63.7 -45.4 -42.9 -11.5 17.2 353 354 A R H ><5S+ 0 0 167 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.873 105.4 57.8 -60.1 -42.0 -46.2 -11.7 15.2 354 355 A E H 3<5S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 106.2 50.6 -60.6 -27.7 -44.4 -13.5 12.4 355 356 A M T <<5S- 0 0 132 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.212 117.9-111.2 -98.0 15.2 -43.3 -16.2 14.9 356 357 A A T < 5S+ 0 0 98 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.658 73.4 137.7 65.0 20.6 -46.9 -16.7 16.2 357 358 A Q < - 0 0 40 -5,-2.2 -1,-0.2 -6,-0.2 -28,-0.1 -0.541 63.6 -89.4 -92.1 158.7 -46.0 -15.2 19.5 358 359 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.241 51.6-106.5 -55.5 156.3 -48.0 -12.8 21.7 359 360 A I - 0 0 64 -3,-0.1 2,-0.6 -30,-0.1 -10,-0.1 -0.783 20.1-135.6 -97.3 123.5 -47.2 -9.2 20.8 360 361 A P + 0 0 0 0, 0.0 -8,-0.1 0, 0.0 -11,-0.1 -0.677 42.3 150.9 -78.2 120.9 -45.0 -7.1 23.3 361 362 A E + 0 0 118 -2,-0.6 -12,-0.0 -12,-0.0 2,-0.0 0.708 39.8 76.5-125.1 -38.9 -46.8 -3.7 23.6 362 363 A S S > S- 0 0 53 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.339 88.5-109.1 -70.3 162.7 -46.2 -2.1 26.9 363 364 A D H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 122.5 48.3 -53.0 -48.3 -42.8 -0.4 27.6 364 365 A A H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.863 109.3 53.1 -67.9 -33.8 -41.9 -3.2 30.0 365 366 A E H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.903 108.7 49.0 -67.3 -40.9 -43.0 -5.9 27.5 366 367 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.937 114.1 46.3 -62.8 -43.5 -40.7 -4.4 24.8 367 368 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.904 111.3 52.7 -62.4 -43.7 -37.9 -4.3 27.3 368 369 A R H X S+ 0 0 8 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.906 108.5 49.5 -56.8 -48.5 -38.7 -7.9 28.4 369 370 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -38,-0.4 0.941 113.0 48.0 -56.1 -48.3 -38.6 -9.1 24.8 370 371 A I H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.954 114.1 44.8 -60.1 -50.8 -35.2 -7.4 24.3 371 372 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.919 116.9 43.6 -65.2 -45.9 -33.6 -8.7 27.5 372 373 A D H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.891 115.1 50.1 -65.0 -40.6 -34.8 -12.4 27.2 373 374 A S H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.879 112.4 47.4 -66.6 -40.7 -33.9 -12.4 23.4 374 375 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.946 111.0 51.5 -62.0 -47.2 -30.4 -11.0 24.2 375 376 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.891 109.4 49.2 -63.6 -38.2 -29.9 -13.6 27.0 376 377 A L H X S+ 0 0 18 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.935 112.7 48.0 -66.3 -41.8 -30.9 -16.5 24.8 377 378 A L H X S+ 0 0 18 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.908 107.6 56.2 -64.2 -39.4 -28.5 -15.2 22.1 378 379 A Y H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.935 109.2 47.0 -52.6 -48.7 -25.8 -14.8 24.8 379 380 A A H X S+ 0 0 16 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.897 111.7 51.1 -63.0 -39.3 -26.2 -18.5 25.7 380 381 A D H X S+ 0 0 89 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.948 114.1 42.7 -63.3 -49.6 -26.1 -19.5 22.0 381 382 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.877 110.9 53.8 -67.1 -41.2 -22.9 -17.6 21.3 382 383 A L H X S+ 0 0 13 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.903 110.8 48.8 -61.9 -37.9 -21.1 -18.7 24.5 383 384 A H H X S+ 0 0 113 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.941 110.5 50.6 -62.7 -46.2 -21.9 -22.3 23.5 384 385 A E H X S+ 0 0 67 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.893 111.3 48.6 -60.0 -40.5 -20.6 -21.7 19.9 385 386 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.934 112.3 46.9 -68.8 -45.0 -17.3 -20.2 21.3 386 387 A A H X>S+ 0 0 12 -4,-2.2 5,-1.6 1,-0.2 4,-1.6 0.916 114.1 48.4 -60.6 -44.8 -16.7 -23.1 23.8 387 388 A Q H <5S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.901 111.1 52.5 -62.1 -42.7 -17.4 -25.6 21.1 388 389 A L H <5S+ 0 0 15 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.917 117.5 33.9 -60.9 -48.5 -15.1 -23.8 18.7 389 390 A R H <5S- 0 0 41 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.595 104.9-123.2 -85.6 -14.7 -12.0 -23.6 21.0 390 391 A G T <5S+ 0 0 69 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.847 78.0 101.1 73.2 33.3 -12.7 -27.0 22.7 391 392 A E < - 0 0 57 -5,-1.6 -2,-0.2 -6,-0.2 -1,-0.2 -0.901 63.6-135.1-154.7 123.9 -12.8 -25.5 26.1 392 393 A D - 0 0 101 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.127 21.3-124.0 -58.9 163.5 -15.6 -24.5 28.5 393 394 A F - 0 0 15 1,-0.1 -142,-0.2 -11,-0.0 3,-0.1 -0.913 15.4-169.3-112.2 144.2 -15.8 -21.3 30.5 394 395 A S S S+ 0 0 54 -144,-2.9 25,-0.7 -2,-0.3 2,-0.3 0.644 76.1 25.9-102.2 -23.0 -16.2 -21.0 34.3 395 396 A Q E -mq 251 419F 38 -145,-1.4 -143,-2.4 23,-0.1 2,-0.5 -0.999 60.6-153.4-141.3 145.0 -16.9 -17.3 34.5 396 397 A L E -mq 252 420F 0 23,-2.7 25,-2.8 -2,-0.3 2,-0.7 -0.982 15.0-150.2-114.7 122.7 -18.4 -14.7 32.2 397 398 A H E -mq 253 421F 5 -145,-2.8 -143,-2.8 -2,-0.5 2,-0.6 -0.845 8.3-164.0 -95.7 113.7 -17.2 -11.1 32.7 398 399 A I E +mq 254 422F 4 23,-2.0 25,-3.0 -2,-0.7 2,-0.2 -0.875 19.0 166.6 -98.2 123.7 -19.9 -8.5 31.8 399 400 A V E +m 255 0F 0 -145,-2.3 -143,-2.9 -2,-0.6 3,-0.3 -0.778 28.2 56.1-127.8 171.0 -18.4 -5.0 31.5 400 401 A G S > S- 0 0 13 24,-1.5 3,-1.8 25,-0.7 4,-0.2 -0.268 103.1 -51.7 94.8 174.0 -19.6 -1.7 30.0 401 402 A G G > S+ 0 0 33 1,-0.3 3,-1.6 2,-0.2 -144,-0.2 0.832 132.3 64.2 -54.1 -34.2 -22.7 0.4 30.7 402 403 A G G > S+ 0 0 5 -146,-3.0 3,-1.8 1,-0.3 -1,-0.3 0.673 84.2 73.9 -63.4 -24.5 -24.9 -2.7 30.2 403 404 A C G < S+ 0 0 9 -3,-1.8 -1,-0.3 -147,-0.4 -2,-0.2 0.557 84.3 68.3 -70.0 -6.7 -23.2 -4.3 33.2 404 405 A Q G < S+ 0 0 127 -3,-1.6 2,-1.2 -4,-0.2 -1,-0.3 0.557 75.7 94.2 -81.2 -10.6 -25.4 -2.0 35.4 405 406 A N <> - 0 0 9 -3,-1.8 4,-2.3 1,-0.2 5,-0.1 -0.714 55.0-177.4 -87.4 96.2 -28.5 -3.9 34.2 406 407 A T H > S+ 0 0 76 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.819 79.5 56.5 -69.9 -28.6 -28.8 -6.3 37.1 407 408 A L H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 110.8 42.3 -64.1 -50.8 -31.8 -8.0 35.5 408 409 A L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.855 110.0 58.4 -68.0 -34.3 -29.9 -8.7 32.3 409 410 A N H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.931 111.0 42.1 -57.1 -46.2 -26.8 -9.8 34.3 410 411 A Q H X S+ 0 0 60 -4,-1.9 4,-2.4 2,-0.2 55,-0.3 0.878 112.6 53.0 -72.8 -34.4 -28.9 -12.5 36.0 411 412 A L H X S+ 0 0 8 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.895 109.9 49.6 -64.8 -41.2 -30.7 -13.5 32.8 412 413 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.946 111.8 47.1 -62.0 -49.3 -27.4 -14.0 31.2 413 414 A A H X>S+ 0 0 0 -4,-2.2 5,-1.5 -5,-0.2 4,-1.4 0.924 116.7 45.0 -57.1 -43.6 -26.0 -16.1 34.1 414 415 A D H <5S+ 0 0 12 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.922 115.5 44.7 -70.2 -45.8 -29.2 -18.2 34.1 415 416 A A H <5S+ 0 0 7 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.910 121.1 40.2 -65.9 -41.9 -29.5 -18.7 30.3 416 417 A C H <5S- 0 0 29 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.676 100.3-134.8 -80.8 -20.1 -25.8 -19.5 30.0 417 418 A G T <5 + 0 0 55 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.863 66.1 119.1 64.2 38.9 -25.7 -21.6 33.2 418 419 A I S - 0 0 8 0, 0.0 -24,-1.5 0, 0.0 3,-0.6 0.517 49.0-158.0 -74.7 158.3 -16.0 -2.5 35.8 425 426 A V T 3 S+ 0 0 45 1,-0.2 2,-1.6 -26,-0.2 -25,-0.7 0.987 89.5 44.4 -64.4 -58.5 -18.6 -0.2 34.2 426 427 A E T 3> S+ 0 0 32 1,-0.2 4,-2.2 -26,-0.1 -1,-0.2 -0.412 70.2 148.8 -91.5 61.2 -16.2 2.0 32.2 427 428 A A H <> + 0 0 1 -2,-1.6 4,-2.7 -3,-0.6 -184,-0.3 0.872 68.4 53.9 -63.7 -41.8 -14.0 -0.8 30.9 428 429 A S H > S+ 0 0 16 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.947 109.8 48.1 -60.1 -45.8 -13.1 1.0 27.7 429 430 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.931 112.7 49.3 -56.8 -49.3 -11.9 4.0 29.6 430 431 A L H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.914 110.7 47.9 -61.0 -41.8 -9.8 1.8 31.9 431 432 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -198,-0.2 0.874 109.9 54.4 -68.5 -34.0 -8.2 -0.2 29.1 432 433 A N H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.966 110.4 46.1 -60.7 -49.3 -7.3 3.0 27.4 433 434 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.901 107.2 60.7 -59.2 -41.3 -5.6 4.2 30.6 434 435 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.918 104.0 46.0 -55.9 -47.7 -3.9 0.9 30.9 435 436 A I H X S+ 0 0 8 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.907 110.3 54.9 -65.3 -37.5 -2.0 1.2 27.6 436 437 A Q H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.931 106.5 50.9 -58.6 -45.2 -1.0 4.7 28.5 437 438 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 6,-0.7 0.876 107.1 55.2 -61.8 -35.9 0.5 3.5 31.8 438 439 A M H ><5S+ 0 0 44 -4,-1.8 3,-1.1 4,-0.2 -1,-0.2 0.887 107.1 48.4 -64.1 -38.6 2.5 0.9 29.9 439 440 A T H 3<5S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.815 109.2 54.6 -72.1 -28.4 4.0 3.5 27.6 440 441 A L T 3<5S- 0 0 28 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.405 115.6-117.7 -80.2 -0.1 4.9 5.5 30.7 441 442 A D T < 5S+ 0 0 120 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.870 86.0 115.3 63.6 38.3 6.7 2.5 32.2 442 443 A E S - 0 0 51 1,-0.1 4,-1.7 -11,-0.0 -1,-0.2 -0.963 66.1 -84.9-167.2 179.2 1.4 -5.8 30.7 446 447 A V H > S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.887 120.1 55.9 -67.2 -42.8 -2.3 -6.5 30.4 447 448 A D H > S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.904 108.6 48.0 -58.0 -43.6 -2.3 -9.3 33.0 448 449 A D H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 110.6 52.6 -62.3 -40.8 -0.8 -7.0 35.6 449 450 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.923 104.7 54.3 -62.8 -41.7 -3.4 -4.4 34.7 450 451 A R H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.837 104.1 56.1 -62.0 -32.7 -6.3 -6.8 35.2 451 452 A Q H X S+ 0 0 112 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.904 108.3 48.5 -64.3 -39.6 -4.9 -7.6 38.7 452 453 A V H >X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 3,-0.7 0.950 111.9 48.3 -61.0 -50.3 -5.2 -3.8 39.4 453 454 A V H >X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 3,-1.1 0.923 108.9 53.9 -56.5 -44.8 -8.7 -3.7 38.1 454 455 A S H 3< S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.723 114.1 40.7 -68.5 -20.7 -9.8 -6.7 40.1 455 456 A T H << S+ 0 0 105 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.416 125.2 37.2-102.4 -0.3 -8.5 -5.1 43.4 456 457 A T H << S+ 0 0 61 -3,-1.1 -2,-0.2 -4,-0.8 -3,-0.2 0.779 100.3 72.4-115.6 -53.4 -9.9 -1.6 42.5 457 458 A A S < S- 0 0 26 -4,-2.8 2,-0.6 -5,-0.2 -34,-0.0 -0.190 84.6-102.8 -71.6 156.5 -13.2 -1.9 40.7 458 459 A N - 0 0 132 -3,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.697 41.9-171.3 -74.8 116.8 -16.6 -2.9 42.1 459 460 A L - 0 0 56 -2,-0.6 2,-0.4 -5,-0.1 -36,-0.2 -0.972 6.1-164.9-118.6 128.3 -17.3 -6.5 41.0 460 461 A T E -R 422 0F 60 -38,-2.2 -38,-3.2 -2,-0.5 2,-0.5 -0.935 10.8-142.8-115.0 129.4 -20.7 -8.1 41.5 461 462 A T E -R 421 0F 73 -2,-0.4 2,-0.5 -40,-0.2 -40,-0.2 -0.781 10.1-167.9 -94.1 128.0 -21.2 -11.9 41.3 462 463 A F E -R 420 0F 24 -42,-3.2 -42,-2.8 -2,-0.5 -2,-0.0 -0.986 13.8-151.8-113.1 118.2 -24.4 -13.3 39.7 463 464 A T - 0 0 87 -2,-0.5 -44,-0.1 -44,-0.2 -49,-0.1 -0.763 25.1-106.1 -92.1 133.9 -24.7 -17.0 40.4 464 465 A P - 0 0 40 0, 0.0 -50,-0.1 0, 0.0 -45,-0.1 -0.348 27.3-148.1 -62.2 136.9 -26.7 -19.2 37.8 465 466 A N > - 0 0 69 -55,-0.3 3,-1.3 1,-0.1 6,-0.2 -0.933 8.1-165.8-109.4 110.6 -30.1 -20.2 39.0 466 467 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -52,-0.0 0.683 88.0 53.2 -70.2 -16.0 -31.1 -23.6 37.6 467 468 A D T 3 S+ 0 0 118 4,-0.1 2,-0.0 5,-0.0 -53,-0.0 0.230 82.3 119.2-105.2 9.7 -34.8 -23.1 38.6 468 469 A S S <> S- 0 0 19 -3,-1.3 4,-2.6 1,-0.1 5,-0.2 -0.322 76.6-111.1 -72.6 158.7 -35.3 -19.7 36.9 469 470 A E H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.928 120.1 43.7 -54.0 -49.8 -37.9 -19.1 34.2 470 471 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.844 111.9 53.4 -71.0 -31.3 -35.2 -18.6 31.5 471 472 A A H > S+ 0 0 12 -6,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 111.0 47.0 -63.7 -42.6 -33.2 -21.6 32.8 472 473 A H H X S+ 0 0 100 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.885 112.0 51.3 -65.0 -40.6 -36.3 -23.8 32.5 473 474 A Y H X S+ 0 0 79 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.922 111.1 46.9 -59.5 -48.4 -36.9 -22.4 29.0 474 475 A V H < S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 108.8 55.1 -64.7 -39.3 -33.3 -23.2 27.9 475 476 A A H >X S+ 0 0 63 -4,-2.2 3,-1.1 1,-0.2 4,-0.9 0.901 108.0 50.0 -57.8 -43.3 -33.5 -26.7 29.4 476 477 A L H 3< S+ 0 0 134 -4,-1.7 3,-0.3 1,-0.3 -2,-0.2 0.878 104.9 56.1 -66.9 -40.8 -36.7 -27.4 27.3 477 478 A I T 3< S+ 0 0 91 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.093 100.2 62.7 -82.0 23.3 -35.1 -26.2 24.0 478 479 A H T <4 0 0 143 -3,-1.1 -1,-0.2 0, 0.0 -2,-0.2 0.707 360.0 360.0-107.6 -43.2 -32.3 -28.7 24.4 479 480 A S < 0 0 149 -4,-0.9 -3,-0.0 -3,-0.3 0, 0.0 -0.092 360.0 360.0-123.1 360.0 -34.3 -31.9 24.2